USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 604 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 65 SER OG : rot 108:sc= 1.25 USER MOD Set 1.2: A 78 LYS NZ :NH3+ -173:sc= 1.19 (180deg=1.03) USER MOD Set 2.1: A 50 ASN : amide:sc= 1.67 K(o=0.54,f=-7.8!) USER MOD Set 2.2: A 58 THR OG1 : rot -110:sc= -1.13 USER MOD Set 3.1: A 17 CYS SG : rot 150:sc= 0.383 USER MOD Set 3.2: A 21 LYS NZ :NH3+ -119:sc= 1.31 (180deg=-0.119) USER MOD Set 4.1: A 9 TYR OH : rot 30:sc= 1.03 USER MOD Set 4.2: A 60 LYS NZ :NH3+ -150:sc= 1.27 (180deg=0) USER MOD Single : A 7 THR OG1 : rot -79:sc= 1.24 USER MOD Single : A 10 THR OG1 : rot 170:sc= 0.0206 USER MOD Single : A 11 THR OG1 : rot 152:sc= -0.202 USER MOD Single : A 12 SER OG : rot 69:sc= 1.04 USER MOD Single : A 14 CYS SG : rot 86:sc= -0.916! USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 75:sc= 1.29 USER MOD Single : A 25 THR OG1 : rot 84:sc= 1.26 USER MOD Single : A 27 ASN : amide:sc= 1.16 K(o=1.2,f=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc= -0.438 X(o=-0.44,f=-0.011) USER MOD Single : A 39 ASN : amide:sc= -0.765 X(o=-0.76,f=-0.66) USER MOD Single : A 48 SER OG : rot 76:sc= 1.24 USER MOD Single : A 53 ASN : amide:sc= -0.011 X(o=-0.011,f=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot -92:sc= 0.942 USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 71 SER OG : rot 81:sc= 1.03 USER MOD Single : A 76 LYS NZ :NH3+ 178:sc= 0.505 (180deg=0.504) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 50 N ALA A 4 5.559 7.234 8.051 1.00 0.00 N ATOM 51 CA ALA A 4 4.619 6.467 7.305 1.00 0.00 C ATOM 52 C ALA A 4 5.239 6.161 5.964 1.00 0.00 C ATOM 53 O ALA A 4 5.315 7.026 5.101 1.00 0.00 O ATOM 54 CB ALA A 4 3.305 7.223 7.144 1.00 0.00 C ATOM 0 HA ALA A 4 4.386 5.540 7.829 1.00 0.00 H new ATOM 0 HB1 ALA A 4 2.604 6.616 6.571 1.00 0.00 H new ATOM 0 HB2 ALA A 4 2.883 7.433 8.127 1.00 0.00 H new ATOM 0 HB3 ALA A 4 3.487 8.161 6.619 1.00 0.00 H new ATOM 60 N ALA A 5 5.760 4.955 5.838 1.00 0.00 N ATOM 61 CA ALA A 5 6.409 4.508 4.614 1.00 0.00 C ATOM 62 C ALA A 5 5.412 4.534 3.461 1.00 0.00 C ATOM 63 O ALA A 5 5.596 5.255 2.456 1.00 0.00 O ATOM 64 CB ALA A 5 6.961 3.103 4.821 1.00 0.00 C ATOM 0 H ALA A 5 5.747 4.255 6.580 1.00 0.00 H new ATOM 0 HA ALA A 5 7.234 5.177 4.368 1.00 0.00 H new ATOM 0 HB1 ALA A 5 7.448 2.765 3.906 1.00 0.00 H new ATOM 0 HB2 ALA A 5 7.686 3.113 5.635 1.00 0.00 H new ATOM 0 HB3 ALA A 5 6.145 2.424 5.070 1.00 0.00 H new ATOM 70 N LEU A 6 4.363 3.763 3.615 1.00 0.00 N ATOM 71 CA LEU A 6 3.285 3.731 2.678 1.00 0.00 C ATOM 72 C LEU A 6 2.038 3.256 3.359 1.00 0.00 C ATOM 73 O LEU A 6 2.075 2.307 4.153 1.00 0.00 O ATOM 74 CB LEU A 6 3.609 2.974 1.322 1.00 0.00 C ATOM 75 CG LEU A 6 3.981 1.458 1.294 1.00 0.00 C ATOM 76 CD1 LEU A 6 5.098 1.063 2.234 1.00 0.00 C ATOM 77 CD2 LEU A 6 2.770 0.569 1.421 1.00 0.00 C ATOM 0 H LEU A 6 4.240 3.134 4.409 1.00 0.00 H new ATOM 0 HA LEU A 6 3.118 4.753 2.339 1.00 0.00 H new ATOM 0 HB2 LEU A 6 2.739 3.097 0.677 1.00 0.00 H new ATOM 0 HB3 LEU A 6 4.433 3.510 0.851 1.00 0.00 H new ATOM 0 HG LEU A 6 4.397 1.293 0.300 1.00 0.00 H new ATOM 0 HD11 LEU A 6 5.287 -0.007 2.146 1.00 0.00 H new ATOM 0 HD12 LEU A 6 6.003 1.614 1.976 1.00 0.00 H new ATOM 0 HD13 LEU A 6 4.811 1.297 3.259 1.00 0.00 H new ATOM 0 HD21 LEU A 6 3.081 -0.475 1.396 1.00 0.00 H new ATOM 0 HD22 LEU A 6 2.265 0.775 2.365 1.00 0.00 H new ATOM 0 HD23 LEU A 6 2.087 0.764 0.594 1.00 0.00 H new ATOM 89 N THR A 7 0.973 3.929 3.089 1.00 0.00 N ATOM 90 CA THR A 7 -0.278 3.644 3.687 1.00 0.00 C ATOM 91 C THR A 7 -1.156 2.890 2.701 1.00 0.00 C ATOM 92 O THR A 7 -1.376 3.325 1.566 1.00 0.00 O ATOM 93 CB THR A 7 -0.970 4.948 4.164 1.00 0.00 C ATOM 94 OG1 THR A 7 -0.113 5.635 5.109 1.00 0.00 O ATOM 95 CG2 THR A 7 -2.299 4.642 4.835 1.00 0.00 C ATOM 0 H THR A 7 0.951 4.709 2.432 1.00 0.00 H new ATOM 0 HA THR A 7 -0.117 3.017 4.564 1.00 0.00 H new ATOM 0 HB THR A 7 -1.151 5.577 3.293 1.00 0.00 H new ATOM 0 HG1 THR A 7 -0.183 5.205 5.987 1.00 0.00 H new ATOM 0 HG21 THR A 7 -2.765 5.572 5.161 1.00 0.00 H new ATOM 0 HG22 THR A 7 -2.956 4.136 4.128 1.00 0.00 H new ATOM 0 HG23 THR A 7 -2.131 3.999 5.699 1.00 0.00 H new ATOM 103 N ILE A 8 -1.594 1.753 3.134 1.00 0.00 N ATOM 104 CA ILE A 8 -2.413 0.874 2.382 1.00 0.00 C ATOM 105 C ILE A 8 -3.871 1.210 2.599 1.00 0.00 C ATOM 106 O ILE A 8 -4.346 1.265 3.738 1.00 0.00 O ATOM 107 CB ILE A 8 -2.158 -0.600 2.802 1.00 0.00 C ATOM 108 CG1 ILE A 8 -0.749 -1.057 2.430 1.00 0.00 C ATOM 109 CG2 ILE A 8 -3.210 -1.530 2.242 1.00 0.00 C ATOM 110 CD1 ILE A 8 -0.430 -2.459 2.887 1.00 0.00 C ATOM 0 H ILE A 8 -1.377 1.400 4.066 1.00 0.00 H new ATOM 0 HA ILE A 8 -2.165 0.993 1.327 1.00 0.00 H new ATOM 0 HB ILE A 8 -2.235 -0.642 3.888 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -0.631 -1.001 1.348 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -0.025 -0.368 2.866 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -2.998 -2.552 2.557 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -4.192 -1.233 2.611 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.200 -1.477 1.153 1.00 0.00 H new ATOM 0 HD11 ILE A 8 0.586 -2.717 2.589 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -0.515 -2.516 3.972 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -1.130 -3.159 2.431 1.00 0.00 H new ATOM 122 N TYR A 9 -4.552 1.449 1.520 1.00 0.00 N ATOM 123 CA TYR A 9 -5.950 1.686 1.542 1.00 0.00 C ATOM 124 C TYR A 9 -6.675 0.490 1.001 1.00 0.00 C ATOM 125 O TYR A 9 -6.553 0.155 -0.181 1.00 0.00 O ATOM 126 CB TYR A 9 -6.321 2.930 0.755 1.00 0.00 C ATOM 127 CG TYR A 9 -5.775 4.206 1.313 1.00 0.00 C ATOM 128 CD1 TYR A 9 -6.152 4.646 2.569 1.00 0.00 C ATOM 129 CD2 TYR A 9 -4.904 4.984 0.579 1.00 0.00 C ATOM 130 CE1 TYR A 9 -5.672 5.824 3.081 1.00 0.00 C ATOM 131 CE2 TYR A 9 -4.417 6.163 1.083 1.00 0.00 C ATOM 132 CZ TYR A 9 -4.804 6.583 2.335 1.00 0.00 C ATOM 133 OH TYR A 9 -4.316 7.765 2.839 1.00 0.00 O ATOM 0 H TYR A 9 -4.139 1.484 0.588 1.00 0.00 H new ATOM 0 HA TYR A 9 -6.248 1.854 2.577 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -5.966 2.815 -0.269 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -7.407 3.004 0.709 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -6.836 4.052 3.156 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -4.601 4.660 -0.406 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -5.975 6.153 4.064 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -3.732 6.760 0.499 1.00 0.00 H new ATOM 0 HH TYR A 9 -4.263 7.707 3.816 1.00 0.00 H new ATOM 143 N THR A 10 -7.359 -0.177 1.870 1.00 0.00 N ATOM 144 CA THR A 10 -8.148 -1.310 1.539 1.00 0.00 C ATOM 145 C THR A 10 -9.078 -1.542 2.720 1.00 0.00 C ATOM 146 O THR A 10 -9.070 -0.752 3.680 1.00 0.00 O ATOM 147 CB THR A 10 -7.248 -2.574 1.284 1.00 0.00 C ATOM 148 OG1 THR A 10 -8.025 -3.663 0.756 1.00 0.00 O ATOM 149 CG2 THR A 10 -6.548 -3.026 2.566 1.00 0.00 C ATOM 0 H THR A 10 -7.383 0.062 2.861 1.00 0.00 H new ATOM 0 HA THR A 10 -8.708 -1.138 0.620 1.00 0.00 H new ATOM 0 HB THR A 10 -6.492 -2.287 0.553 1.00 0.00 H new ATOM 0 HG1 THR A 10 -7.425 -4.377 0.456 1.00 0.00 H new ATOM 0 HG21 THR A 10 -5.934 -3.902 2.356 1.00 0.00 H new ATOM 0 HG22 THR A 10 -5.916 -2.220 2.939 1.00 0.00 H new ATOM 0 HG23 THR A 10 -7.295 -3.279 3.319 1.00 0.00 H new ATOM 157 N THR A 11 -9.855 -2.562 2.663 1.00 0.00 N ATOM 158 CA THR A 11 -10.651 -2.916 3.754 1.00 0.00 C ATOM 159 C THR A 11 -10.497 -4.400 3.939 1.00 0.00 C ATOM 160 O THR A 11 -10.274 -5.120 2.959 1.00 0.00 O ATOM 161 CB THR A 11 -12.115 -2.605 3.533 1.00 0.00 C ATOM 162 OG1 THR A 11 -12.246 -1.482 2.675 1.00 0.00 O ATOM 163 CG2 THR A 11 -12.718 -2.238 4.869 1.00 0.00 C ATOM 0 H THR A 11 -9.949 -3.170 1.849 1.00 0.00 H new ATOM 0 HA THR A 11 -10.331 -2.344 4.625 1.00 0.00 H new ATOM 0 HB THR A 11 -12.611 -3.468 3.089 1.00 0.00 H new ATOM 0 HG1 THR A 11 -13.090 -1.545 2.181 1.00 0.00 H new ATOM 0 HG21 THR A 11 -13.776 -2.008 4.740 1.00 0.00 H new ATOM 0 HG22 THR A 11 -12.610 -3.075 5.559 1.00 0.00 H new ATOM 0 HG23 THR A 11 -12.204 -1.366 5.273 1.00 0.00 H new ATOM 171 N SER A 12 -10.616 -4.861 5.146 1.00 0.00 N ATOM 172 CA SER A 12 -10.463 -6.265 5.483 1.00 0.00 C ATOM 173 C SER A 12 -11.449 -7.228 4.737 1.00 0.00 C ATOM 174 O SER A 12 -11.299 -8.443 4.804 1.00 0.00 O ATOM 175 CB SER A 12 -10.534 -6.409 6.990 1.00 0.00 C ATOM 176 OG SER A 12 -9.542 -5.569 7.593 1.00 0.00 O ATOM 0 H SER A 12 -10.826 -4.269 5.949 1.00 0.00 H new ATOM 0 HA SER A 12 -9.485 -6.587 5.125 1.00 0.00 H new ATOM 0 HB2 SER A 12 -11.526 -6.133 7.347 1.00 0.00 H new ATOM 0 HB3 SER A 12 -10.370 -7.448 7.276 1.00 0.00 H new ATOM 0 HG SER A 12 -9.785 -4.629 7.461 1.00 0.00 H new ATOM 182 N TRP A 13 -12.428 -6.684 4.015 1.00 0.00 N ATOM 183 CA TRP A 13 -13.330 -7.508 3.206 1.00 0.00 C ATOM 184 C TRP A 13 -12.824 -7.688 1.770 1.00 0.00 C ATOM 185 O TRP A 13 -13.451 -8.377 0.958 1.00 0.00 O ATOM 186 CB TRP A 13 -14.785 -6.994 3.227 1.00 0.00 C ATOM 187 CG TRP A 13 -14.959 -5.501 3.095 1.00 0.00 C ATOM 188 CD1 TRP A 13 -15.289 -4.661 4.103 1.00 0.00 C ATOM 189 CD2 TRP A 13 -14.834 -4.671 1.911 1.00 0.00 C ATOM 190 NE1 TRP A 13 -15.362 -3.378 3.652 1.00 0.00 N ATOM 191 CE2 TRP A 13 -15.103 -3.351 2.310 1.00 0.00 C ATOM 192 CE3 TRP A 13 -14.523 -4.911 0.568 1.00 0.00 C ATOM 193 CZ2 TRP A 13 -15.072 -2.273 1.421 1.00 0.00 C ATOM 194 CZ3 TRP A 13 -14.494 -3.843 -0.316 1.00 0.00 C ATOM 195 CH2 TRP A 13 -14.768 -2.538 0.115 1.00 0.00 C ATOM 0 H TRP A 13 -12.617 -5.683 3.972 1.00 0.00 H new ATOM 0 HA TRP A 13 -13.334 -8.492 3.675 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -15.332 -7.477 2.417 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -15.249 -7.313 4.160 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -15.469 -4.966 5.123 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -15.577 -2.563 4.227 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -14.309 -5.913 0.225 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -15.281 -1.267 1.754 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -14.256 -4.020 -1.355 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -14.738 -1.727 -0.598 1.00 0.00 H new ATOM 206 N CYS A 14 -11.706 -7.076 1.461 1.00 0.00 N ATOM 207 CA CYS A 14 -11.107 -7.204 0.153 1.00 0.00 C ATOM 208 C CYS A 14 -10.293 -8.490 0.095 1.00 0.00 C ATOM 209 O CYS A 14 -9.612 -8.849 1.074 1.00 0.00 O ATOM 210 CB CYS A 14 -10.221 -5.990 -0.145 1.00 0.00 C ATOM 211 SG CYS A 14 -9.338 -6.058 -1.719 1.00 0.00 S ATOM 0 H CYS A 14 -11.188 -6.478 2.105 1.00 0.00 H new ATOM 0 HA CYS A 14 -11.891 -7.245 -0.603 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -10.842 -5.094 -0.132 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -9.493 -5.885 0.659 1.00 0.00 H new ATOM 0 HG CYS A 14 -10.099 -5.592 -2.664 1.00 0.00 H new ATOM 217 N GLY A 15 -10.355 -9.175 -1.028 1.00 0.00 N ATOM 218 CA GLY A 15 -9.650 -10.425 -1.183 1.00 0.00 C ATOM 219 C GLY A 15 -8.166 -10.219 -1.302 1.00 0.00 C ATOM 220 O GLY A 15 -7.370 -11.058 -0.867 1.00 0.00 O ATOM 0 H GLY A 15 -10.888 -8.884 -1.847 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -9.860 -11.069 -0.329 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -10.017 -10.942 -2.070 1.00 0.00 H new ATOM 224 N TYR A 16 -7.780 -9.114 -1.892 1.00 0.00 N ATOM 225 CA TYR A 16 -6.380 -8.799 -2.029 1.00 0.00 C ATOM 226 C TYR A 16 -5.788 -8.166 -0.790 1.00 0.00 C ATOM 227 O TYR A 16 -4.584 -8.013 -0.712 1.00 0.00 O ATOM 228 CB TYR A 16 -6.076 -7.962 -3.271 1.00 0.00 C ATOM 229 CG TYR A 16 -6.223 -8.723 -4.562 1.00 0.00 C ATOM 230 CD1 TYR A 16 -5.596 -9.951 -4.728 1.00 0.00 C ATOM 231 CD2 TYR A 16 -6.971 -8.224 -5.614 1.00 0.00 C ATOM 232 CE1 TYR A 16 -5.713 -10.660 -5.897 1.00 0.00 C ATOM 233 CE2 TYR A 16 -7.090 -8.933 -6.793 1.00 0.00 C ATOM 234 CZ TYR A 16 -6.461 -10.150 -6.925 1.00 0.00 C ATOM 235 OH TYR A 16 -6.585 -10.861 -8.095 1.00 0.00 O ATOM 0 H TYR A 16 -8.415 -8.419 -2.284 1.00 0.00 H new ATOM 0 HA TYR A 16 -5.889 -9.763 -2.160 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -6.742 -7.100 -3.290 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -5.059 -7.577 -3.200 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -5.004 -10.356 -3.921 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -7.467 -7.270 -5.512 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -5.219 -11.614 -6.006 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -7.675 -8.534 -7.609 1.00 0.00 H new ATOM 0 HH TYR A 16 -7.149 -10.362 -8.723 1.00 0.00 H new ATOM 245 N CYS A 17 -6.619 -7.832 0.187 1.00 0.00 N ATOM 246 CA CYS A 17 -6.130 -7.204 1.405 1.00 0.00 C ATOM 247 C CYS A 17 -5.151 -8.126 2.150 1.00 0.00 C ATOM 248 O CYS A 17 -3.961 -7.825 2.227 1.00 0.00 O ATOM 249 CB CYS A 17 -7.302 -6.806 2.311 1.00 0.00 C ATOM 250 SG CYS A 17 -6.832 -6.227 3.958 1.00 0.00 S ATOM 0 H CYS A 17 -7.627 -7.984 0.161 1.00 0.00 H new ATOM 0 HA CYS A 17 -5.588 -6.301 1.126 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -7.874 -6.021 1.816 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -7.965 -7.664 2.420 1.00 0.00 H new ATOM 0 HG CYS A 17 -7.709 -5.367 4.382 1.00 0.00 H new ATOM 256 N LEU A 18 -5.629 -9.290 2.606 1.00 0.00 N ATOM 257 CA LEU A 18 -4.780 -10.227 3.362 1.00 0.00 C ATOM 258 C LEU A 18 -3.707 -10.828 2.468 1.00 0.00 C ATOM 259 O LEU A 18 -2.608 -11.171 2.927 1.00 0.00 O ATOM 260 CB LEU A 18 -5.587 -11.364 4.039 1.00 0.00 C ATOM 261 CG LEU A 18 -6.247 -12.431 3.135 1.00 0.00 C ATOM 262 CD1 LEU A 18 -6.748 -13.576 3.978 1.00 0.00 C ATOM 263 CD2 LEU A 18 -7.402 -11.861 2.319 1.00 0.00 C ATOM 0 H LEU A 18 -6.589 -9.606 2.468 1.00 0.00 H new ATOM 0 HA LEU A 18 -4.314 -9.640 4.153 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -4.920 -11.880 4.730 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -6.372 -10.903 4.638 1.00 0.00 H new ATOM 0 HG LEU A 18 -5.486 -12.780 2.437 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -7.212 -14.325 3.336 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -5.912 -14.026 4.515 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -7.482 -13.207 4.694 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -7.833 -12.648 1.700 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -8.165 -11.470 2.992 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -7.035 -11.057 1.681 1.00 0.00 H new ATOM 275 N ARG A 19 -4.028 -10.923 1.190 1.00 0.00 N ATOM 276 CA ARG A 19 -3.127 -11.456 0.191 1.00 0.00 C ATOM 277 C ARG A 19 -1.876 -10.582 0.138 1.00 0.00 C ATOM 278 O ARG A 19 -0.747 -11.069 0.269 1.00 0.00 O ATOM 279 CB ARG A 19 -3.827 -11.457 -1.176 1.00 0.00 C ATOM 280 CG ARG A 19 -3.048 -12.075 -2.348 1.00 0.00 C ATOM 281 CD ARG A 19 -2.818 -13.575 -2.176 1.00 0.00 C ATOM 282 NE ARG A 19 -1.743 -13.904 -1.225 1.00 0.00 N ATOM 283 CZ ARG A 19 -1.760 -14.933 -0.375 1.00 0.00 C ATOM 284 NH1 ARG A 19 -2.893 -15.573 -0.124 1.00 0.00 N ATOM 285 NH2 ARG A 19 -0.647 -15.288 0.258 1.00 0.00 N ATOM 0 H ARG A 19 -4.930 -10.629 0.816 1.00 0.00 H new ATOM 0 HA ARG A 19 -2.845 -12.478 0.446 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -4.771 -11.992 -1.075 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -4.071 -10.427 -1.435 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -3.594 -11.899 -3.275 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -2.086 -11.573 -2.445 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -3.745 -14.039 -1.838 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -2.579 -14.010 -3.146 1.00 0.00 H new ATOM 0 HE ARG A 19 -0.922 -13.299 -1.215 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -3.756 -15.280 -0.581 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -2.902 -16.359 0.526 1.00 0.00 H new ATOM 0 HH21 ARG A 19 0.219 -14.774 0.094 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -0.658 -16.074 0.908 1.00 0.00 H new ATOM 299 N LEU A 20 -2.106 -9.290 0.021 1.00 0.00 N ATOM 300 CA LEU A 20 -1.049 -8.318 -0.068 1.00 0.00 C ATOM 301 C LEU A 20 -0.315 -8.171 1.274 1.00 0.00 C ATOM 302 O LEU A 20 0.907 -7.985 1.296 1.00 0.00 O ATOM 303 CB LEU A 20 -1.620 -6.984 -0.553 1.00 0.00 C ATOM 304 CG LEU A 20 -0.635 -5.841 -0.749 1.00 0.00 C ATOM 305 CD1 LEU A 20 0.442 -6.187 -1.776 1.00 0.00 C ATOM 306 CD2 LEU A 20 -1.357 -4.572 -1.145 1.00 0.00 C ATOM 0 H LEU A 20 -3.042 -8.887 -0.015 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.310 -8.660 -0.793 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.130 -7.158 -1.501 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.377 -6.660 0.161 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.137 -5.676 0.206 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.124 -5.344 -1.886 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.998 -7.062 -1.440 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.027 -6.402 -2.736 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.633 -3.768 -1.280 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.895 -4.736 -2.079 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.064 -4.296 -0.362 1.00 0.00 H new ATOM 318 N LYS A 21 -1.056 -8.284 2.395 1.00 0.00 N ATOM 319 CA LYS A 21 -0.434 -8.227 3.739 1.00 0.00 C ATOM 320 C LYS A 21 0.627 -9.336 3.853 1.00 0.00 C ATOM 321 O LYS A 21 1.731 -9.122 4.376 1.00 0.00 O ATOM 322 CB LYS A 21 -1.477 -8.417 4.872 1.00 0.00 C ATOM 323 CG LYS A 21 -2.654 -7.432 4.888 1.00 0.00 C ATOM 324 CD LYS A 21 -2.238 -5.982 5.101 1.00 0.00 C ATOM 325 CE LYS A 21 -3.460 -5.045 5.085 1.00 0.00 C ATOM 326 NZ LYS A 21 -4.420 -5.305 6.194 1.00 0.00 N ATOM 0 H LYS A 21 -2.068 -8.413 2.401 1.00 0.00 H new ATOM 0 HA LYS A 21 0.016 -7.241 3.854 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.878 -9.428 4.801 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.959 -8.346 5.829 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -3.195 -7.511 3.945 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -3.347 -7.721 5.678 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -1.716 -5.887 6.053 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -1.537 -5.684 4.321 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -3.117 -4.012 5.146 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -3.979 -5.153 4.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -5.344 -5.573 5.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -4.061 -6.078 6.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -4.526 -4.445 6.770 1.00 0.00 H new ATOM 340 N THR A 22 0.292 -10.500 3.313 1.00 0.00 N ATOM 341 CA THR A 22 1.175 -11.640 3.319 1.00 0.00 C ATOM 342 C THR A 22 2.400 -11.374 2.426 1.00 0.00 C ATOM 343 O THR A 22 3.550 -11.546 2.860 1.00 0.00 O ATOM 344 CB THR A 22 0.427 -12.899 2.827 1.00 0.00 C ATOM 345 OG1 THR A 22 -0.776 -13.067 3.605 1.00 0.00 O ATOM 346 CG2 THR A 22 1.296 -14.144 2.983 1.00 0.00 C ATOM 0 H THR A 22 -0.605 -10.672 2.859 1.00 0.00 H new ATOM 0 HA THR A 22 1.515 -11.808 4.341 1.00 0.00 H new ATOM 0 HB THR A 22 0.186 -12.770 1.772 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.444 -12.409 3.320 1.00 0.00 H new ATOM 0 HG21 THR A 22 0.747 -15.017 2.630 1.00 0.00 H new ATOM 0 HG22 THR A 22 2.208 -14.027 2.397 1.00 0.00 H new ATOM 0 HG23 THR A 22 1.554 -14.278 4.033 1.00 0.00 H new ATOM 354 N ALA A 23 2.143 -10.899 1.206 1.00 0.00 N ATOM 355 CA ALA A 23 3.195 -10.613 0.231 1.00 0.00 C ATOM 356 C ALA A 23 4.206 -9.605 0.774 1.00 0.00 C ATOM 357 O ALA A 23 5.423 -9.777 0.618 1.00 0.00 O ATOM 358 CB ALA A 23 2.590 -10.108 -1.071 1.00 0.00 C ATOM 0 H ALA A 23 1.201 -10.702 0.867 1.00 0.00 H new ATOM 0 HA ALA A 23 3.727 -11.544 0.036 1.00 0.00 H new ATOM 0 HB1 ALA A 23 3.386 -9.900 -1.786 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.924 -10.867 -1.481 1.00 0.00 H new ATOM 0 HB3 ALA A 23 2.026 -9.195 -0.880 1.00 0.00 H new ATOM 364 N LEU A 24 3.712 -8.570 1.433 1.00 0.00 N ATOM 365 CA LEU A 24 4.584 -7.548 1.991 1.00 0.00 C ATOM 366 C LEU A 24 5.391 -8.079 3.167 1.00 0.00 C ATOM 367 O LEU A 24 6.568 -7.761 3.306 1.00 0.00 O ATOM 368 CB LEU A 24 3.821 -6.296 2.417 1.00 0.00 C ATOM 369 CG LEU A 24 3.009 -5.516 1.360 1.00 0.00 C ATOM 370 CD1 LEU A 24 2.477 -4.249 1.979 1.00 0.00 C ATOM 371 CD2 LEU A 24 3.826 -5.167 0.126 1.00 0.00 C ATOM 0 H LEU A 24 2.717 -8.415 1.595 1.00 0.00 H new ATOM 0 HA LEU A 24 5.267 -7.270 1.189 1.00 0.00 H new ATOM 0 HB2 LEU A 24 3.134 -6.585 3.212 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.542 -5.605 2.854 1.00 0.00 H new ATOM 0 HG LEU A 24 2.195 -6.164 1.035 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.903 -3.695 1.237 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.834 -4.499 2.823 1.00 0.00 H new ATOM 0 HD13 LEU A 24 3.309 -3.636 2.326 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.202 -4.620 -0.581 1.00 0.00 H new ATOM 0 HD22 LEU A 24 4.675 -4.548 0.415 1.00 0.00 H new ATOM 0 HD23 LEU A 24 4.187 -6.083 -0.342 1.00 0.00 H new ATOM 383 N THR A 25 4.773 -8.897 3.988 1.00 0.00 N ATOM 384 CA THR A 25 5.444 -9.472 5.141 1.00 0.00 C ATOM 385 C THR A 25 6.576 -10.430 4.697 1.00 0.00 C ATOM 386 O THR A 25 7.652 -10.455 5.293 1.00 0.00 O ATOM 387 CB THR A 25 4.422 -10.195 6.054 1.00 0.00 C ATOM 388 OG1 THR A 25 3.427 -9.244 6.499 1.00 0.00 O ATOM 389 CG2 THR A 25 5.095 -10.832 7.268 1.00 0.00 C ATOM 0 H THR A 25 3.800 -9.183 3.881 1.00 0.00 H new ATOM 0 HA THR A 25 5.900 -8.666 5.715 1.00 0.00 H new ATOM 0 HB THR A 25 3.957 -10.993 5.475 1.00 0.00 H new ATOM 0 HG1 THR A 25 2.729 -9.157 5.816 1.00 0.00 H new ATOM 0 HG21 THR A 25 4.343 -11.328 7.882 1.00 0.00 H new ATOM 0 HG22 THR A 25 5.831 -11.563 6.934 1.00 0.00 H new ATOM 0 HG23 THR A 25 5.591 -10.060 7.856 1.00 0.00 H new ATOM 397 N ALA A 26 6.349 -11.146 3.602 1.00 0.00 N ATOM 398 CA ALA A 26 7.340 -12.080 3.059 1.00 0.00 C ATOM 399 C ALA A 26 8.556 -11.337 2.490 1.00 0.00 C ATOM 400 O ALA A 26 9.643 -11.900 2.348 1.00 0.00 O ATOM 401 CB ALA A 26 6.703 -12.945 1.990 1.00 0.00 C ATOM 0 H ALA A 26 5.482 -11.100 3.066 1.00 0.00 H new ATOM 0 HA ALA A 26 7.690 -12.715 3.873 1.00 0.00 H new ATOM 0 HB1 ALA A 26 7.445 -13.636 1.591 1.00 0.00 H new ATOM 0 HB2 ALA A 26 5.877 -13.509 2.423 1.00 0.00 H new ATOM 0 HB3 ALA A 26 6.328 -12.312 1.186 1.00 0.00 H new ATOM 407 N ASN A 27 8.367 -10.073 2.186 1.00 0.00 N ATOM 408 CA ASN A 27 9.425 -9.235 1.641 1.00 0.00 C ATOM 409 C ASN A 27 9.856 -8.211 2.665 1.00 0.00 C ATOM 410 O ASN A 27 10.568 -7.237 2.338 1.00 0.00 O ATOM 411 CB ASN A 27 8.965 -8.553 0.346 1.00 0.00 C ATOM 412 CG ASN A 27 8.849 -9.516 -0.828 1.00 0.00 C ATOM 413 OD1 ASN A 27 9.803 -9.704 -1.584 1.00 0.00 O ATOM 414 ND2 ASN A 27 7.699 -10.125 -0.996 1.00 0.00 N ATOM 0 H ASN A 27 7.476 -9.591 2.308 1.00 0.00 H new ATOM 0 HA ASN A 27 10.281 -9.866 1.401 1.00 0.00 H new ATOM 0 HB2 ASN A 27 7.998 -8.079 0.516 1.00 0.00 H new ATOM 0 HB3 ASN A 27 9.668 -7.761 0.090 1.00 0.00 H new ATOM 0 HD21 ASN A 27 7.575 -10.777 -1.771 1.00 0.00 H new ATOM 0 HD22 ASN A 27 6.929 -9.947 -0.352 1.00 0.00 H new ATOM 421 N ARG A 28 9.406 -8.461 3.915 1.00 0.00 N ATOM 422 CA ARG A 28 9.675 -7.648 5.109 1.00 0.00 C ATOM 423 C ARG A 28 9.561 -6.158 4.861 1.00 0.00 C ATOM 424 O ARG A 28 10.536 -5.404 4.927 1.00 0.00 O ATOM 425 CB ARG A 28 10.971 -8.050 5.823 1.00 0.00 C ATOM 426 CG ARG A 28 10.923 -9.473 6.370 1.00 0.00 C ATOM 427 CD ARG A 28 12.198 -9.856 7.099 1.00 0.00 C ATOM 428 NE ARG A 28 13.376 -9.877 6.221 1.00 0.00 N ATOM 429 CZ ARG A 28 14.626 -10.150 6.635 1.00 0.00 C ATOM 430 NH1 ARG A 28 14.861 -10.444 7.904 1.00 0.00 N ATOM 431 NH2 ARG A 28 15.636 -10.135 5.774 1.00 0.00 N ATOM 0 H ARG A 28 8.821 -9.271 4.122 1.00 0.00 H new ATOM 0 HA ARG A 28 8.871 -7.878 5.808 1.00 0.00 H new ATOM 0 HB2 ARG A 28 11.807 -7.960 5.129 1.00 0.00 H new ATOM 0 HB3 ARG A 28 11.160 -7.356 6.642 1.00 0.00 H new ATOM 0 HG2 ARG A 28 10.076 -9.570 7.049 1.00 0.00 H new ATOM 0 HG3 ARG A 28 10.754 -10.170 5.549 1.00 0.00 H new ATOM 0 HD2 ARG A 28 12.371 -9.152 7.913 1.00 0.00 H new ATOM 0 HD3 ARG A 28 12.070 -10.840 7.551 1.00 0.00 H new ATOM 0 HE ARG A 28 13.236 -9.671 5.232 1.00 0.00 H new ATOM 0 HH11 ARG A 28 14.092 -10.464 8.574 1.00 0.00 H new ATOM 0 HH12 ARG A 28 15.811 -10.650 8.212 1.00 0.00 H new ATOM 0 HH21 ARG A 28 15.466 -9.916 4.792 1.00 0.00 H new ATOM 0 HH22 ARG A 28 16.582 -10.343 6.094 1.00 0.00 H new ATOM 445 N ILE A 29 8.376 -5.761 4.507 1.00 0.00 N ATOM 446 CA ILE A 29 8.081 -4.396 4.174 1.00 0.00 C ATOM 447 C ILE A 29 7.301 -3.736 5.293 1.00 0.00 C ATOM 448 O ILE A 29 6.310 -4.283 5.774 1.00 0.00 O ATOM 449 CB ILE A 29 7.250 -4.342 2.873 1.00 0.00 C ATOM 450 CG1 ILE A 29 8.045 -4.968 1.724 1.00 0.00 C ATOM 451 CG2 ILE A 29 6.837 -2.908 2.543 1.00 0.00 C ATOM 452 CD1 ILE A 29 7.260 -5.158 0.462 1.00 0.00 C ATOM 0 H ILE A 29 7.572 -6.385 4.440 1.00 0.00 H new ATOM 0 HA ILE A 29 9.021 -3.863 4.032 1.00 0.00 H new ATOM 0 HB ILE A 29 6.335 -4.917 3.017 1.00 0.00 H new ATOM 0 HG12 ILE A 29 8.908 -4.338 1.510 1.00 0.00 H new ATOM 0 HG13 ILE A 29 8.429 -5.935 2.048 1.00 0.00 H new ATOM 0 HG21 ILE A 29 6.253 -2.900 1.622 1.00 0.00 H new ATOM 0 HG22 ILE A 29 6.235 -2.506 3.358 1.00 0.00 H new ATOM 0 HG23 ILE A 29 7.728 -2.294 2.413 1.00 0.00 H new ATOM 0 HD11 ILE A 29 7.898 -5.606 -0.299 1.00 0.00 H new ATOM 0 HD12 ILE A 29 6.412 -5.814 0.657 1.00 0.00 H new ATOM 0 HD13 ILE A 29 6.898 -4.192 0.110 1.00 0.00 H new ATOM 464 N ALA A 30 7.757 -2.585 5.708 1.00 0.00 N ATOM 465 CA ALA A 30 7.083 -1.800 6.709 1.00 0.00 C ATOM 466 C ALA A 30 5.973 -1.010 6.045 1.00 0.00 C ATOM 467 O ALA A 30 6.224 -0.257 5.110 1.00 0.00 O ATOM 468 CB ALA A 30 8.067 -0.854 7.341 1.00 0.00 C ATOM 0 H ALA A 30 8.616 -2.161 5.358 1.00 0.00 H new ATOM 0 HA ALA A 30 6.663 -2.451 7.476 1.00 0.00 H new ATOM 0 HB1 ALA A 30 7.562 -0.257 8.100 1.00 0.00 H new ATOM 0 HB2 ALA A 30 8.873 -1.423 7.804 1.00 0.00 H new ATOM 0 HB3 ALA A 30 8.481 -0.195 6.577 1.00 0.00 H new ATOM 474 N TYR A 31 4.768 -1.181 6.503 1.00 0.00 N ATOM 475 CA TYR A 31 3.650 -0.494 5.908 1.00 0.00 C ATOM 476 C TYR A 31 2.718 0.056 6.957 1.00 0.00 C ATOM 477 O TYR A 31 2.818 -0.281 8.138 1.00 0.00 O ATOM 478 CB TYR A 31 2.888 -1.407 4.929 1.00 0.00 C ATOM 479 CG TYR A 31 2.374 -2.713 5.512 1.00 0.00 C ATOM 480 CD1 TYR A 31 1.124 -2.788 6.106 1.00 0.00 C ATOM 481 CD2 TYR A 31 3.130 -3.870 5.439 1.00 0.00 C ATOM 482 CE1 TYR A 31 0.646 -3.975 6.612 1.00 0.00 C ATOM 483 CE2 TYR A 31 2.661 -5.064 5.945 1.00 0.00 C ATOM 484 CZ TYR A 31 1.415 -5.111 6.530 1.00 0.00 C ATOM 485 OH TYR A 31 0.933 -6.304 7.033 1.00 0.00 O ATOM 0 H TYR A 31 4.530 -1.789 7.286 1.00 0.00 H new ATOM 0 HA TYR A 31 4.052 0.347 5.343 1.00 0.00 H new ATOM 0 HB2 TYR A 31 2.041 -0.851 4.527 1.00 0.00 H new ATOM 0 HB3 TYR A 31 3.545 -1.638 4.090 1.00 0.00 H new ATOM 0 HD1 TYR A 31 0.514 -1.899 6.173 1.00 0.00 H new ATOM 0 HD2 TYR A 31 4.106 -3.837 4.977 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -0.330 -4.014 7.072 1.00 0.00 H new ATOM 0 HE2 TYR A 31 3.267 -5.956 5.883 1.00 0.00 H new ATOM 0 HH TYR A 31 1.599 -7.010 6.895 1.00 0.00 H new ATOM 495 N ASP A 32 1.844 0.907 6.531 1.00 0.00 N ATOM 496 CA ASP A 32 0.828 1.491 7.371 1.00 0.00 C ATOM 497 C ASP A 32 -0.507 1.144 6.774 1.00 0.00 C ATOM 498 O ASP A 32 -0.712 1.353 5.602 1.00 0.00 O ATOM 499 CB ASP A 32 1.013 3.018 7.448 1.00 0.00 C ATOM 500 CG ASP A 32 -0.105 3.730 8.183 1.00 0.00 C ATOM 501 OD1 ASP A 32 -0.424 3.351 9.338 1.00 0.00 O ATOM 502 OD2 ASP A 32 -0.652 4.710 7.632 1.00 0.00 O ATOM 0 H ASP A 32 1.808 1.230 5.564 1.00 0.00 H new ATOM 0 HA ASP A 32 0.897 1.102 8.387 1.00 0.00 H new ATOM 0 HB2 ASP A 32 1.959 3.236 7.944 1.00 0.00 H new ATOM 0 HB3 ASP A 32 1.084 3.418 6.437 1.00 0.00 H new ATOM 507 N GLU A 33 -1.382 0.566 7.534 1.00 0.00 N ATOM 508 CA GLU A 33 -2.666 0.162 7.007 1.00 0.00 C ATOM 509 C GLU A 33 -3.796 0.808 7.773 1.00 0.00 C ATOM 510 O GLU A 33 -3.750 0.931 9.013 1.00 0.00 O ATOM 511 CB GLU A 33 -2.814 -1.362 7.037 1.00 0.00 C ATOM 512 CG GLU A 33 -2.727 -1.974 8.424 1.00 0.00 C ATOM 513 CD GLU A 33 -2.965 -3.444 8.400 1.00 0.00 C ATOM 514 OE1 GLU A 33 -4.131 -3.874 8.431 1.00 0.00 O ATOM 515 OE2 GLU A 33 -2.008 -4.203 8.316 1.00 0.00 O ATOM 0 H GLU A 33 -1.240 0.359 8.523 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.716 0.497 5.971 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -3.773 -1.630 6.594 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -2.039 -1.802 6.410 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -1.743 -1.773 8.848 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -3.459 -1.499 9.077 1.00 0.00 H new ATOM 522 N VAL A 34 -4.763 1.260 7.051 1.00 0.00 N ATOM 523 CA VAL A 34 -5.957 1.796 7.610 1.00 0.00 C ATOM 524 C VAL A 34 -7.110 1.287 6.765 1.00 0.00 C ATOM 525 O VAL A 34 -6.985 1.232 5.533 1.00 0.00 O ATOM 526 CB VAL A 34 -5.923 3.371 7.664 1.00 0.00 C ATOM 527 CG1 VAL A 34 -5.723 4.001 6.295 1.00 0.00 C ATOM 528 CG2 VAL A 34 -7.166 3.931 8.324 1.00 0.00 C ATOM 0 H VAL A 34 -4.745 1.267 6.031 1.00 0.00 H new ATOM 0 HA VAL A 34 -6.071 1.472 8.644 1.00 0.00 H new ATOM 0 HB VAL A 34 -5.057 3.633 8.272 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.708 5.087 6.393 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -4.777 3.661 5.873 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -6.541 3.708 5.636 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -7.108 5.019 8.344 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -8.047 3.624 7.760 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -7.238 3.553 9.344 1.00 0.00 H new ATOM 538 N ASP A 35 -8.181 0.840 7.389 1.00 0.00 N ATOM 539 CA ASP A 35 -9.309 0.412 6.598 1.00 0.00 C ATOM 540 C ASP A 35 -10.010 1.658 6.109 1.00 0.00 C ATOM 541 O ASP A 35 -10.184 2.630 6.857 1.00 0.00 O ATOM 542 CB ASP A 35 -10.270 -0.526 7.375 1.00 0.00 C ATOM 543 CG ASP A 35 -9.676 -1.910 7.685 1.00 0.00 C ATOM 544 OD1 ASP A 35 -8.881 -2.029 8.653 1.00 0.00 O ATOM 545 OD2 ASP A 35 -10.009 -2.907 6.989 1.00 0.00 O ATOM 0 H ASP A 35 -8.291 0.766 8.400 1.00 0.00 H new ATOM 0 HA ASP A 35 -8.960 -0.187 5.757 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -10.553 -0.045 8.311 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -11.183 -0.655 6.795 1.00 0.00 H new ATOM 550 N ILE A 36 -10.460 1.614 4.904 1.00 0.00 N ATOM 551 CA ILE A 36 -10.948 2.807 4.227 1.00 0.00 C ATOM 552 C ILE A 36 -12.322 3.232 4.653 1.00 0.00 C ATOM 553 O ILE A 36 -12.637 4.410 4.620 1.00 0.00 O ATOM 554 CB ILE A 36 -10.894 2.625 2.718 1.00 0.00 C ATOM 555 CG1 ILE A 36 -11.785 1.460 2.304 1.00 0.00 C ATOM 556 CG2 ILE A 36 -9.460 2.401 2.304 1.00 0.00 C ATOM 557 CD1 ILE A 36 -11.685 1.060 0.866 1.00 0.00 C ATOM 0 H ILE A 36 -10.508 0.762 4.345 1.00 0.00 H new ATOM 0 HA ILE A 36 -10.278 3.613 4.526 1.00 0.00 H new ATOM 0 HB ILE A 36 -11.266 3.518 2.216 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -11.538 0.597 2.922 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -12.821 1.721 2.521 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -9.410 2.269 1.223 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -8.859 3.263 2.593 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -9.074 1.509 2.797 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -12.357 0.224 0.673 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -11.964 1.903 0.234 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -10.661 0.761 0.642 1.00 0.00 H new ATOM 569 N GLU A 37 -13.116 2.293 5.121 1.00 0.00 N ATOM 570 CA GLU A 37 -14.483 2.589 5.513 1.00 0.00 C ATOM 571 C GLU A 37 -14.536 3.412 6.814 1.00 0.00 C ATOM 572 O GLU A 37 -15.606 3.832 7.261 1.00 0.00 O ATOM 573 CB GLU A 37 -15.306 1.311 5.650 1.00 0.00 C ATOM 574 CG GLU A 37 -14.724 0.295 6.610 1.00 0.00 C ATOM 575 CD GLU A 37 -15.653 -0.855 6.850 1.00 0.00 C ATOM 576 OE1 GLU A 37 -15.700 -1.798 6.031 1.00 0.00 O ATOM 577 OE2 GLU A 37 -16.356 -0.844 7.864 1.00 0.00 O ATOM 0 H GLU A 37 -12.842 1.318 5.240 1.00 0.00 H new ATOM 0 HA GLU A 37 -14.922 3.194 4.720 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -16.310 1.573 5.982 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -15.405 0.850 4.667 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -13.781 -0.079 6.212 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -14.499 0.782 7.559 1.00 0.00 H new ATOM 584 N HIS A 38 -13.385 3.627 7.417 1.00 0.00 N ATOM 585 CA HIS A 38 -13.292 4.396 8.636 1.00 0.00 C ATOM 586 C HIS A 38 -12.970 5.857 8.339 1.00 0.00 C ATOM 587 O HIS A 38 -13.353 6.748 9.095 1.00 0.00 O ATOM 588 CB HIS A 38 -12.236 3.802 9.585 1.00 0.00 C ATOM 589 CG HIS A 38 -12.569 2.439 10.131 1.00 0.00 C ATOM 590 ND1 HIS A 38 -12.785 2.179 11.466 1.00 0.00 N ATOM 591 CD2 HIS A 38 -12.703 1.249 9.498 1.00 0.00 C ATOM 592 CE1 HIS A 38 -13.038 0.877 11.602 1.00 0.00 C ATOM 593 NE2 HIS A 38 -13.003 0.264 10.432 1.00 0.00 N ATOM 0 H HIS A 38 -12.491 3.274 7.075 1.00 0.00 H new ATOM 0 HA HIS A 38 -14.263 4.350 9.128 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -11.285 3.743 9.055 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -12.093 4.487 10.421 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -12.594 1.090 8.435 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -13.244 0.389 12.543 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -13.163 -0.727 10.251 1.00 0.00 H new ATOM 601 N ASN A 39 -12.313 6.109 7.216 1.00 0.00 N ATOM 602 CA ASN A 39 -11.897 7.468 6.885 1.00 0.00 C ATOM 603 C ASN A 39 -12.504 7.907 5.567 1.00 0.00 C ATOM 604 O ASN A 39 -12.105 7.429 4.503 1.00 0.00 O ATOM 605 CB ASN A 39 -10.350 7.625 6.833 1.00 0.00 C ATOM 606 CG ASN A 39 -9.633 7.395 8.166 1.00 0.00 C ATOM 607 OD1 ASN A 39 -10.211 7.547 9.246 1.00 0.00 O ATOM 608 ND2 ASN A 39 -8.356 7.090 8.106 1.00 0.00 N ATOM 0 H ASN A 39 -12.058 5.402 6.526 1.00 0.00 H new ATOM 0 HA ASN A 39 -12.263 8.109 7.687 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -9.953 6.925 6.098 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -10.113 8.628 6.478 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -7.819 6.973 8.965 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -7.902 6.970 7.200 1.00 0.00 H new ATOM 615 N ARG A 40 -13.461 8.824 5.649 1.00 0.00 N ATOM 616 CA ARG A 40 -14.205 9.365 4.501 1.00 0.00 C ATOM 617 C ARG A 40 -13.277 9.857 3.388 1.00 0.00 C ATOM 618 O ARG A 40 -13.459 9.502 2.208 1.00 0.00 O ATOM 619 CB ARG A 40 -15.087 10.521 4.970 1.00 0.00 C ATOM 620 CG ARG A 40 -15.846 11.215 3.863 1.00 0.00 C ATOM 621 CD ARG A 40 -16.598 12.418 4.381 1.00 0.00 C ATOM 622 NE ARG A 40 -17.284 13.130 3.305 1.00 0.00 N ATOM 623 CZ ARG A 40 -17.641 14.424 3.344 1.00 0.00 C ATOM 624 NH1 ARG A 40 -17.360 15.166 4.420 1.00 0.00 N ATOM 625 NH2 ARG A 40 -18.254 14.976 2.298 1.00 0.00 N ATOM 0 H ARG A 40 -13.755 9.228 6.538 1.00 0.00 H new ATOM 0 HA ARG A 40 -14.813 8.558 4.092 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -15.801 10.144 5.702 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -14.463 11.254 5.481 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -15.151 11.526 3.083 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -16.546 10.516 3.406 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -17.325 12.099 5.128 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -15.904 13.094 4.880 1.00 0.00 H new ATOM 0 HE ARG A 40 -17.509 12.604 2.460 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -16.873 14.749 5.214 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -17.632 16.149 4.447 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -18.452 14.416 1.469 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -18.526 15.959 2.326 1.00 0.00 H new ATOM 639 N ALA A 41 -12.283 10.646 3.772 1.00 0.00 N ATOM 640 CA ALA A 41 -11.338 11.237 2.842 1.00 0.00 C ATOM 641 C ALA A 41 -10.549 10.164 2.129 1.00 0.00 C ATOM 642 O ALA A 41 -10.311 10.235 0.926 1.00 0.00 O ATOM 643 CB ALA A 41 -10.385 12.163 3.576 1.00 0.00 C ATOM 0 H ALA A 41 -12.111 10.894 4.746 1.00 0.00 H new ATOM 0 HA ALA A 41 -11.902 11.810 2.106 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -9.682 12.599 2.866 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -10.951 12.958 4.061 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -9.836 11.598 4.329 1.00 0.00 H new ATOM 649 N ALA A 42 -10.186 9.146 2.872 1.00 0.00 N ATOM 650 CA ALA A 42 -9.397 8.068 2.340 1.00 0.00 C ATOM 651 C ALA A 42 -10.225 7.223 1.393 1.00 0.00 C ATOM 652 O ALA A 42 -9.773 6.888 0.309 1.00 0.00 O ATOM 653 CB ALA A 42 -8.835 7.218 3.458 1.00 0.00 C ATOM 0 H ALA A 42 -10.429 9.044 3.857 1.00 0.00 H new ATOM 0 HA ALA A 42 -8.563 8.494 1.782 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -8.241 6.408 3.036 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -8.205 7.833 4.101 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -9.654 6.800 4.044 1.00 0.00 H new ATOM 659 N ALA A 43 -11.457 6.928 1.798 1.00 0.00 N ATOM 660 CA ALA A 43 -12.376 6.098 1.026 1.00 0.00 C ATOM 661 C ALA A 43 -12.676 6.687 -0.348 1.00 0.00 C ATOM 662 O ALA A 43 -12.787 5.952 -1.339 1.00 0.00 O ATOM 663 CB ALA A 43 -13.667 5.871 1.796 1.00 0.00 C ATOM 0 H ALA A 43 -11.849 7.261 2.679 1.00 0.00 H new ATOM 0 HA ALA A 43 -11.881 5.140 0.866 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -14.339 5.250 1.204 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -13.445 5.370 2.738 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -14.143 6.830 1.999 1.00 0.00 H new ATOM 669 N GLU A 44 -12.794 7.995 -0.432 1.00 0.00 N ATOM 670 CA GLU A 44 -13.095 8.612 -1.707 1.00 0.00 C ATOM 671 C GLU A 44 -11.829 8.647 -2.571 1.00 0.00 C ATOM 672 O GLU A 44 -11.882 8.452 -3.790 1.00 0.00 O ATOM 673 CB GLU A 44 -13.683 10.015 -1.518 1.00 0.00 C ATOM 674 CG GLU A 44 -12.685 11.099 -1.202 1.00 0.00 C ATOM 675 CD GLU A 44 -13.349 12.401 -0.898 1.00 0.00 C ATOM 676 OE1 GLU A 44 -14.156 12.875 -1.732 1.00 0.00 O ATOM 677 OE2 GLU A 44 -13.068 12.994 0.158 1.00 0.00 O ATOM 0 H GLU A 44 -12.689 8.641 0.350 1.00 0.00 H new ATOM 0 HA GLU A 44 -13.851 8.017 -2.219 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -14.218 10.291 -2.427 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -14.418 9.977 -0.714 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -12.077 10.795 -0.350 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -12.008 11.226 -2.047 1.00 0.00 H new ATOM 684 N PHE A 45 -10.696 8.838 -1.908 1.00 0.00 N ATOM 685 CA PHE A 45 -9.399 8.906 -2.545 1.00 0.00 C ATOM 686 C PHE A 45 -9.069 7.584 -3.217 1.00 0.00 C ATOM 687 O PHE A 45 -8.892 7.522 -4.443 1.00 0.00 O ATOM 688 CB PHE A 45 -8.339 9.275 -1.498 1.00 0.00 C ATOM 689 CG PHE A 45 -6.932 9.296 -2.003 1.00 0.00 C ATOM 690 CD1 PHE A 45 -6.480 10.338 -2.790 1.00 0.00 C ATOM 691 CD2 PHE A 45 -6.055 8.270 -1.683 1.00 0.00 C ATOM 692 CE1 PHE A 45 -5.182 10.359 -3.252 1.00 0.00 C ATOM 693 CE2 PHE A 45 -4.764 8.292 -2.139 1.00 0.00 C ATOM 694 CZ PHE A 45 -4.325 9.338 -2.926 1.00 0.00 C ATOM 0 H PHE A 45 -10.658 8.951 -0.895 1.00 0.00 H new ATOM 0 HA PHE A 45 -9.412 9.675 -3.318 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -8.578 10.258 -1.092 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -8.402 8.565 -0.673 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -7.151 11.145 -3.046 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -6.393 7.448 -1.070 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -4.840 11.177 -3.869 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -4.088 7.490 -1.883 1.00 0.00 H new ATOM 0 HZ PHE A 45 -3.307 9.353 -3.285 1.00 0.00 H new ATOM 704 N VAL A 46 -9.057 6.523 -2.425 1.00 0.00 N ATOM 705 CA VAL A 46 -8.740 5.195 -2.921 1.00 0.00 C ATOM 706 C VAL A 46 -9.762 4.731 -3.958 1.00 0.00 C ATOM 707 O VAL A 46 -9.406 4.099 -4.930 1.00 0.00 O ATOM 708 CB VAL A 46 -8.569 4.155 -1.762 1.00 0.00 C ATOM 709 CG1 VAL A 46 -9.762 4.108 -0.894 1.00 0.00 C ATOM 710 CG2 VAL A 46 -8.326 2.775 -2.278 1.00 0.00 C ATOM 0 H VAL A 46 -9.265 6.558 -1.427 1.00 0.00 H new ATOM 0 HA VAL A 46 -7.774 5.261 -3.421 1.00 0.00 H new ATOM 0 HB VAL A 46 -7.703 4.490 -1.191 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -9.607 3.376 -0.102 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -9.930 5.090 -0.453 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -10.632 3.823 -1.486 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -8.214 2.088 -1.440 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -9.170 2.463 -2.893 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -7.417 2.766 -2.879 1.00 0.00 H new ATOM 720 N GLY A 47 -11.012 5.133 -3.782 1.00 0.00 N ATOM 721 CA GLY A 47 -12.058 4.746 -4.705 1.00 0.00 C ATOM 722 C GLY A 47 -11.891 5.361 -6.081 1.00 0.00 C ATOM 723 O GLY A 47 -12.273 4.769 -7.086 1.00 0.00 O ATOM 0 H GLY A 47 -11.322 5.724 -3.011 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -12.070 3.660 -4.797 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -13.024 5.042 -4.296 1.00 0.00 H new ATOM 727 N SER A 48 -11.305 6.533 -6.130 1.00 0.00 N ATOM 728 CA SER A 48 -11.116 7.230 -7.382 1.00 0.00 C ATOM 729 C SER A 48 -9.904 6.671 -8.136 1.00 0.00 C ATOM 730 O SER A 48 -9.936 6.499 -9.363 1.00 0.00 O ATOM 731 CB SER A 48 -10.971 8.728 -7.117 1.00 0.00 C ATOM 732 OG SER A 48 -12.092 9.209 -6.363 1.00 0.00 O ATOM 0 H SER A 48 -10.948 7.028 -5.312 1.00 0.00 H new ATOM 0 HA SER A 48 -11.989 7.076 -8.016 1.00 0.00 H new ATOM 0 HB2 SER A 48 -10.047 8.920 -6.571 1.00 0.00 H new ATOM 0 HB3 SER A 48 -10.901 9.267 -8.062 1.00 0.00 H new ATOM 0 HG SER A 48 -11.996 8.939 -5.426 1.00 0.00 H new ATOM 738 N VAL A 49 -8.875 6.312 -7.393 1.00 0.00 N ATOM 739 CA VAL A 49 -7.641 5.785 -7.976 1.00 0.00 C ATOM 740 C VAL A 49 -7.706 4.259 -8.082 1.00 0.00 C ATOM 741 O VAL A 49 -6.709 3.588 -8.394 1.00 0.00 O ATOM 742 CB VAL A 49 -6.402 6.193 -7.137 1.00 0.00 C ATOM 743 CG1 VAL A 49 -6.288 7.696 -7.071 1.00 0.00 C ATOM 744 CG2 VAL A 49 -6.484 5.629 -5.734 1.00 0.00 C ATOM 0 H VAL A 49 -8.863 6.374 -6.375 1.00 0.00 H new ATOM 0 HA VAL A 49 -7.541 6.213 -8.973 1.00 0.00 H new ATOM 0 HB VAL A 49 -5.518 5.783 -7.625 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -5.414 7.969 -6.479 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -6.183 8.098 -8.079 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -7.184 8.109 -6.607 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -5.602 5.931 -5.168 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -7.379 6.009 -5.241 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -6.530 4.541 -5.781 1.00 0.00 H new ATOM 754 N ASN A 50 -8.868 3.729 -7.833 1.00 0.00 N ATOM 755 CA ASN A 50 -9.089 2.302 -7.865 1.00 0.00 C ATOM 756 C ASN A 50 -9.532 1.893 -9.260 1.00 0.00 C ATOM 757 O ASN A 50 -9.640 2.738 -10.168 1.00 0.00 O ATOM 758 CB ASN A 50 -10.218 1.915 -6.895 1.00 0.00 C ATOM 759 CG ASN A 50 -9.805 0.897 -5.866 1.00 0.00 C ATOM 760 OD1 ASN A 50 -10.581 0.021 -5.485 1.00 0.00 O ATOM 761 ND2 ASN A 50 -8.635 1.035 -5.347 1.00 0.00 N ATOM 0 H ASN A 50 -9.698 4.274 -7.600 1.00 0.00 H new ATOM 0 HA ASN A 50 -8.161 1.805 -7.583 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -10.571 2.812 -6.386 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -11.058 1.521 -7.467 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -8.331 0.410 -4.601 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -8.012 1.770 -5.682 1.00 0.00 H new ATOM 768 N GLY A 51 -9.814 0.619 -9.425 1.00 0.00 N ATOM 769 CA GLY A 51 -10.352 0.133 -10.665 1.00 0.00 C ATOM 770 C GLY A 51 -11.853 0.258 -10.637 1.00 0.00 C ATOM 771 O GLY A 51 -12.568 -0.712 -10.365 1.00 0.00 O ATOM 0 H GLY A 51 -9.677 -0.096 -8.711 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.943 0.702 -11.500 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -10.065 -0.907 -10.817 1.00 0.00 H new ATOM 775 N GLY A 52 -12.324 1.449 -10.879 1.00 0.00 N ATOM 776 CA GLY A 52 -13.728 1.727 -10.803 1.00 0.00 C ATOM 777 C GLY A 52 -14.048 2.411 -9.503 1.00 0.00 C ATOM 778 O GLY A 52 -13.829 3.612 -9.362 1.00 0.00 O ATOM 0 H GLY A 52 -11.747 2.251 -11.133 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -14.028 2.359 -11.639 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -14.295 0.800 -10.885 1.00 0.00 H new ATOM 782 N ASN A 53 -14.509 1.644 -8.550 1.00 0.00 N ATOM 783 CA ASN A 53 -14.849 2.133 -7.216 1.00 0.00 C ATOM 784 C ASN A 53 -14.072 1.280 -6.231 1.00 0.00 C ATOM 785 O ASN A 53 -13.269 0.449 -6.662 1.00 0.00 O ATOM 786 CB ASN A 53 -16.368 1.994 -6.917 1.00 0.00 C ATOM 787 CG ASN A 53 -17.340 2.707 -7.882 1.00 0.00 C ATOM 788 OD1 ASN A 53 -18.428 2.178 -8.152 1.00 0.00 O ATOM 789 ND2 ASN A 53 -17.024 3.900 -8.353 1.00 0.00 N ATOM 0 H ASN A 53 -14.666 0.643 -8.669 1.00 0.00 H new ATOM 0 HA ASN A 53 -14.600 3.191 -7.139 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -16.616 0.933 -6.909 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -16.551 2.372 -5.911 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -17.680 4.403 -8.950 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -16.124 4.318 -8.119 1.00 0.00 H new ATOM 796 N ARG A 54 -14.300 1.483 -4.929 1.00 0.00 N ATOM 797 CA ARG A 54 -13.607 0.706 -3.875 1.00 0.00 C ATOM 798 C ARG A 54 -13.738 -0.769 -4.053 1.00 0.00 C ATOM 799 O ARG A 54 -14.842 -1.314 -3.980 1.00 0.00 O ATOM 800 CB ARG A 54 -14.117 0.994 -2.467 1.00 0.00 C ATOM 801 CG ARG A 54 -13.619 2.243 -1.831 1.00 0.00 C ATOM 802 CD ARG A 54 -14.281 3.485 -2.373 1.00 0.00 C ATOM 803 NE ARG A 54 -15.724 3.511 -2.110 1.00 0.00 N ATOM 804 CZ ARG A 54 -16.465 4.612 -1.914 1.00 0.00 C ATOM 805 NH1 ARG A 54 -15.883 5.817 -1.806 1.00 0.00 N ATOM 806 NH2 ARG A 54 -17.781 4.497 -1.785 1.00 0.00 N ATOM 0 H ARG A 54 -14.957 2.176 -4.572 1.00 0.00 H new ATOM 0 HA ARG A 54 -12.571 1.027 -3.983 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -15.206 1.036 -2.499 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -13.849 0.153 -1.827 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -13.787 2.188 -0.755 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -12.542 2.317 -1.982 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -13.817 4.365 -1.926 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -14.109 3.545 -3.448 1.00 0.00 H new ATOM 0 HE ARG A 54 -16.206 2.613 -2.073 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -14.869 5.901 -1.873 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -16.455 6.648 -1.657 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -18.220 3.578 -1.835 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -18.353 5.328 -1.636 1.00 0.00 H new ATOM 820 N THR A 55 -12.643 -1.413 -4.268 1.00 0.00 N ATOM 821 CA THR A 55 -12.646 -2.829 -4.297 1.00 0.00 C ATOM 822 C THR A 55 -11.224 -3.396 -4.137 1.00 0.00 C ATOM 823 O THR A 55 -11.030 -4.425 -3.489 1.00 0.00 O ATOM 824 CB THR A 55 -13.389 -3.412 -5.555 1.00 0.00 C ATOM 825 OG1 THR A 55 -13.396 -4.852 -5.550 1.00 0.00 O ATOM 826 CG2 THR A 55 -12.769 -2.905 -6.856 1.00 0.00 C ATOM 0 H THR A 55 -11.734 -0.978 -4.426 1.00 0.00 H new ATOM 0 HA THR A 55 -13.225 -3.162 -3.435 1.00 0.00 H new ATOM 0 HB THR A 55 -14.419 -3.061 -5.498 1.00 0.00 H new ATOM 0 HG1 THR A 55 -13.867 -5.180 -6.345 1.00 0.00 H new ATOM 0 HG21 THR A 55 -13.307 -3.328 -7.704 1.00 0.00 H new ATOM 0 HG22 THR A 55 -12.834 -1.817 -6.890 1.00 0.00 H new ATOM 0 HG23 THR A 55 -11.723 -3.208 -6.903 1.00 0.00 H new ATOM 834 N VAL A 56 -10.236 -2.702 -4.670 1.00 0.00 N ATOM 835 CA VAL A 56 -8.870 -3.178 -4.604 1.00 0.00 C ATOM 836 C VAL A 56 -7.991 -2.295 -3.732 1.00 0.00 C ATOM 837 O VAL A 56 -8.232 -1.089 -3.612 1.00 0.00 O ATOM 838 CB VAL A 56 -8.224 -3.364 -6.004 1.00 0.00 C ATOM 839 CG1 VAL A 56 -8.794 -4.582 -6.704 1.00 0.00 C ATOM 840 CG2 VAL A 56 -8.428 -2.143 -6.877 1.00 0.00 C ATOM 0 H VAL A 56 -10.354 -1.811 -5.151 1.00 0.00 H new ATOM 0 HA VAL A 56 -8.933 -4.162 -4.139 1.00 0.00 H new ATOM 0 HB VAL A 56 -7.155 -3.505 -5.846 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -8.326 -4.691 -7.682 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -8.596 -5.471 -6.106 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -9.870 -4.460 -6.828 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -7.963 -2.309 -7.849 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -9.495 -1.966 -7.011 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -7.973 -1.275 -6.400 1.00 0.00 H new ATOM 850 N PRO A 57 -6.964 -2.885 -3.095 1.00 0.00 N ATOM 851 CA PRO A 57 -6.030 -2.148 -2.257 1.00 0.00 C ATOM 852 C PRO A 57 -5.197 -1.163 -3.079 1.00 0.00 C ATOM 853 O PRO A 57 -4.832 -1.436 -4.225 1.00 0.00 O ATOM 854 CB PRO A 57 -5.139 -3.250 -1.652 1.00 0.00 C ATOM 855 CG PRO A 57 -5.231 -4.371 -2.618 1.00 0.00 C ATOM 856 CD PRO A 57 -6.627 -4.324 -3.151 1.00 0.00 C ATOM 0 HA PRO A 57 -6.533 -1.543 -1.503 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -4.110 -2.910 -1.535 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -5.490 -3.547 -0.664 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -4.501 -4.260 -3.420 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -5.028 -5.325 -2.132 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -6.682 -4.711 -4.169 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -7.309 -4.921 -2.546 1.00 0.00 H new ATOM 864 N THR A 58 -4.969 -0.011 -2.532 1.00 0.00 N ATOM 865 CA THR A 58 -4.156 0.986 -3.164 1.00 0.00 C ATOM 866 C THR A 58 -3.127 1.463 -2.144 1.00 0.00 C ATOM 867 O THR A 58 -3.448 1.570 -0.965 1.00 0.00 O ATOM 868 CB THR A 58 -5.039 2.166 -3.603 1.00 0.00 C ATOM 869 OG1 THR A 58 -6.132 1.625 -4.331 1.00 0.00 O ATOM 870 CG2 THR A 58 -4.298 3.105 -4.533 1.00 0.00 C ATOM 0 H THR A 58 -5.344 0.269 -1.626 1.00 0.00 H new ATOM 0 HA THR A 58 -3.658 0.576 -4.043 1.00 0.00 H new ATOM 0 HB THR A 58 -5.348 2.722 -2.718 1.00 0.00 H new ATOM 0 HG1 THR A 58 -6.043 1.861 -5.278 1.00 0.00 H new ATOM 0 HG21 THR A 58 -4.955 3.926 -4.821 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.421 3.504 -4.024 1.00 0.00 H new ATOM 0 HG23 THR A 58 -3.984 2.562 -5.424 1.00 0.00 H new ATOM 878 N VAL A 59 -1.915 1.693 -2.562 1.00 0.00 N ATOM 879 CA VAL A 59 -0.891 2.151 -1.643 1.00 0.00 C ATOM 880 C VAL A 59 -0.567 3.613 -1.887 1.00 0.00 C ATOM 881 O VAL A 59 -0.486 4.048 -3.038 1.00 0.00 O ATOM 882 CB VAL A 59 0.415 1.312 -1.743 1.00 0.00 C ATOM 883 CG1 VAL A 59 0.166 -0.125 -1.352 1.00 0.00 C ATOM 884 CG2 VAL A 59 0.991 1.366 -3.140 1.00 0.00 C ATOM 0 H VAL A 59 -1.605 1.574 -3.526 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.297 2.024 -0.639 1.00 0.00 H new ATOM 0 HB VAL A 59 1.135 1.747 -1.050 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.095 -0.690 -1.431 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -0.197 -0.165 -0.325 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -0.580 -0.559 -2.018 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.903 0.771 -3.181 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.265 0.967 -3.848 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.220 2.400 -3.399 1.00 0.00 H new ATOM 894 N LYS A 60 -0.436 4.365 -0.828 1.00 0.00 N ATOM 895 CA LYS A 60 -0.030 5.746 -0.916 1.00 0.00 C ATOM 896 C LYS A 60 1.274 5.876 -0.178 1.00 0.00 C ATOM 897 O LYS A 60 1.324 5.663 1.031 1.00 0.00 O ATOM 898 CB LYS A 60 -1.054 6.671 -0.267 1.00 0.00 C ATOM 899 CG LYS A 60 -0.823 8.153 -0.574 1.00 0.00 C ATOM 900 CD LYS A 60 -1.798 9.046 0.179 1.00 0.00 C ATOM 901 CE LYS A 60 -1.476 9.099 1.666 1.00 0.00 C ATOM 902 NZ LYS A 60 -2.516 9.819 2.426 1.00 0.00 N ATOM 0 H LYS A 60 -0.608 4.039 0.123 1.00 0.00 H new ATOM 0 HA LYS A 60 0.062 6.030 -1.964 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -2.051 6.390 -0.605 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -1.031 6.524 0.813 1.00 0.00 H new ATOM 0 HG2 LYS A 60 0.198 8.424 -0.307 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -0.928 8.323 -1.646 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -1.766 10.053 -0.237 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -2.814 8.676 0.039 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -1.379 8.085 2.053 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -0.514 9.589 1.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -2.086 10.276 3.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -2.951 10.543 1.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -3.245 9.147 2.740 1.00 0.00 H new ATOM 916 N PHE A 61 2.312 6.190 -0.877 1.00 0.00 N ATOM 917 CA PHE A 61 3.620 6.302 -0.267 1.00 0.00 C ATOM 918 C PHE A 61 3.807 7.673 0.330 1.00 0.00 C ATOM 919 O PHE A 61 3.037 8.587 0.041 1.00 0.00 O ATOM 920 CB PHE A 61 4.716 6.064 -1.302 1.00 0.00 C ATOM 921 CG PHE A 61 4.694 4.719 -1.963 1.00 0.00 C ATOM 922 CD1 PHE A 61 3.881 4.501 -3.052 1.00 0.00 C ATOM 923 CD2 PHE A 61 5.500 3.679 -1.509 1.00 0.00 C ATOM 924 CE1 PHE A 61 3.860 3.292 -3.681 1.00 0.00 C ATOM 925 CE2 PHE A 61 5.477 2.457 -2.139 1.00 0.00 C ATOM 926 CZ PHE A 61 4.657 2.264 -3.227 1.00 0.00 C ATOM 0 H PHE A 61 2.293 6.377 -1.879 1.00 0.00 H new ATOM 0 HA PHE A 61 3.688 5.548 0.517 1.00 0.00 H new ATOM 0 HB2 PHE A 61 4.637 6.830 -2.073 1.00 0.00 H new ATOM 0 HB3 PHE A 61 5.684 6.197 -0.819 1.00 0.00 H new ATOM 0 HD1 PHE A 61 3.250 5.300 -3.413 1.00 0.00 H new ATOM 0 HD2 PHE A 61 6.147 3.833 -0.658 1.00 0.00 H new ATOM 0 HE1 PHE A 61 3.218 3.140 -4.536 1.00 0.00 H new ATOM 0 HE2 PHE A 61 6.101 1.651 -1.781 1.00 0.00 H new ATOM 0 HZ PHE A 61 4.638 1.306 -3.725 1.00 0.00 H new ATOM 936 N ALA A 62 4.863 7.829 1.131 1.00 0.00 N ATOM 937 CA ALA A 62 5.267 9.146 1.671 1.00 0.00 C ATOM 938 C ALA A 62 5.732 10.055 0.518 1.00 0.00 C ATOM 939 O ALA A 62 5.945 11.267 0.672 1.00 0.00 O ATOM 940 CB ALA A 62 6.384 8.972 2.685 1.00 0.00 C ATOM 0 H ALA A 62 5.463 7.059 1.427 1.00 0.00 H new ATOM 0 HA ALA A 62 4.414 9.608 2.168 1.00 0.00 H new ATOM 0 HB1 ALA A 62 6.675 9.947 3.077 1.00 0.00 H new ATOM 0 HB2 ALA A 62 6.038 8.341 3.503 1.00 0.00 H new ATOM 0 HB3 ALA A 62 7.243 8.504 2.204 1.00 0.00 H new ATOM 946 N ASP A 63 5.899 9.420 -0.625 1.00 0.00 N ATOM 947 CA ASP A 63 6.227 10.038 -1.897 1.00 0.00 C ATOM 948 C ASP A 63 4.997 10.778 -2.444 1.00 0.00 C ATOM 949 O ASP A 63 5.109 11.638 -3.313 1.00 0.00 O ATOM 950 CB ASP A 63 6.661 8.923 -2.865 1.00 0.00 C ATOM 951 CG ASP A 63 6.917 9.354 -4.284 1.00 0.00 C ATOM 952 OD1 ASP A 63 7.921 10.028 -4.539 1.00 0.00 O ATOM 953 OD2 ASP A 63 6.119 8.991 -5.173 1.00 0.00 O ATOM 0 H ASP A 63 5.805 8.407 -0.697 1.00 0.00 H new ATOM 0 HA ASP A 63 7.033 10.762 -1.779 1.00 0.00 H new ATOM 0 HB2 ASP A 63 7.569 8.462 -2.475 1.00 0.00 H new ATOM 0 HB3 ASP A 63 5.890 8.153 -2.872 1.00 0.00 H new ATOM 958 N GLY A 64 3.826 10.428 -1.913 1.00 0.00 N ATOM 959 CA GLY A 64 2.572 11.066 -2.287 1.00 0.00 C ATOM 960 C GLY A 64 1.843 10.325 -3.382 1.00 0.00 C ATOM 961 O GLY A 64 0.622 10.456 -3.531 1.00 0.00 O ATOM 0 H GLY A 64 3.724 9.694 -1.212 1.00 0.00 H new ATOM 0 HA2 GLY A 64 1.928 11.134 -1.410 1.00 0.00 H new ATOM 0 HA3 GLY A 64 2.772 12.086 -2.616 1.00 0.00 H new ATOM 965 N SER A 65 2.579 9.541 -4.123 1.00 0.00 N ATOM 966 CA SER A 65 2.037 8.807 -5.229 1.00 0.00 C ATOM 967 C SER A 65 1.321 7.542 -4.771 1.00 0.00 C ATOM 968 O SER A 65 1.691 6.926 -3.744 1.00 0.00 O ATOM 969 CB SER A 65 3.159 8.427 -6.171 1.00 0.00 C ATOM 970 OG SER A 65 3.925 9.562 -6.545 1.00 0.00 O ATOM 0 H SER A 65 3.577 9.394 -3.973 1.00 0.00 H new ATOM 0 HA SER A 65 1.310 9.444 -5.732 1.00 0.00 H new ATOM 0 HB2 SER A 65 3.805 7.691 -5.692 1.00 0.00 H new ATOM 0 HB3 SER A 65 2.745 7.956 -7.062 1.00 0.00 H new ATOM 0 HG SER A 65 4.798 9.529 -6.100 1.00 0.00 H new ATOM 976 N THR A 66 0.325 7.174 -5.524 1.00 0.00 N ATOM 977 CA THR A 66 -0.423 5.979 -5.324 1.00 0.00 C ATOM 978 C THR A 66 -0.201 5.025 -6.462 1.00 0.00 C ATOM 979 O THR A 66 0.116 5.442 -7.585 1.00 0.00 O ATOM 980 CB THR A 66 -1.929 6.271 -5.235 1.00 0.00 C ATOM 981 OG1 THR A 66 -2.296 7.318 -6.153 1.00 0.00 O ATOM 982 CG2 THR A 66 -2.343 6.622 -3.841 1.00 0.00 C ATOM 0 H THR A 66 0.004 7.722 -6.322 1.00 0.00 H new ATOM 0 HA THR A 66 -0.081 5.540 -4.387 1.00 0.00 H new ATOM 0 HB THR A 66 -2.458 5.360 -5.514 1.00 0.00 H new ATOM 0 HG1 THR A 66 -3.258 7.490 -6.085 1.00 0.00 H new ATOM 0 HG21 THR A 66 -3.414 6.822 -3.819 1.00 0.00 H new ATOM 0 HG22 THR A 66 -2.115 5.791 -3.174 1.00 0.00 H new ATOM 0 HG23 THR A 66 -1.802 7.510 -3.513 1.00 0.00 H new ATOM 990 N LEU A 67 -0.325 3.766 -6.168 1.00 0.00 N ATOM 991 CA LEU A 67 -0.308 2.729 -7.161 1.00 0.00 C ATOM 992 C LEU A 67 -1.430 1.774 -6.829 1.00 0.00 C ATOM 993 O LEU A 67 -1.541 1.322 -5.671 1.00 0.00 O ATOM 994 CB LEU A 67 1.043 1.964 -7.206 1.00 0.00 C ATOM 995 CG LEU A 67 2.309 2.758 -7.586 1.00 0.00 C ATOM 996 CD1 LEU A 67 3.535 1.850 -7.545 1.00 0.00 C ATOM 997 CD2 LEU A 67 2.169 3.366 -8.976 1.00 0.00 C ATOM 0 H LEU A 67 -0.443 3.422 -5.215 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.436 3.178 -8.146 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.209 1.520 -6.224 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.939 1.142 -7.914 1.00 0.00 H new ATOM 0 HG LEU A 67 2.433 3.563 -6.862 1.00 0.00 H new ATOM 0 HD11 LEU A 67 4.422 2.423 -7.815 1.00 0.00 H new ATOM 0 HD12 LEU A 67 3.656 1.447 -6.539 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.404 1.030 -8.251 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.074 3.921 -9.223 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.020 2.572 -9.707 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.313 4.041 -8.994 1.00 0.00 H new ATOM 1009 N THR A 68 -2.300 1.543 -7.787 1.00 0.00 N ATOM 1010 CA THR A 68 -3.374 0.588 -7.654 1.00 0.00 C ATOM 1011 C THR A 68 -2.728 -0.808 -7.510 1.00 0.00 C ATOM 1012 O THR A 68 -1.683 -1.040 -8.129 1.00 0.00 O ATOM 1013 CB THR A 68 -4.260 0.658 -8.919 1.00 0.00 C ATOM 1014 OG1 THR A 68 -4.572 2.051 -9.187 1.00 0.00 O ATOM 1015 CG2 THR A 68 -5.566 -0.103 -8.714 1.00 0.00 C ATOM 0 H THR A 68 -2.280 2.019 -8.689 1.00 0.00 H new ATOM 0 HA THR A 68 -4.000 0.797 -6.786 1.00 0.00 H new ATOM 0 HB THR A 68 -3.720 0.208 -9.752 1.00 0.00 H new ATOM 0 HG1 THR A 68 -5.418 2.286 -8.752 1.00 0.00 H new ATOM 0 HG21 THR A 68 -6.171 -0.038 -9.619 1.00 0.00 H new ATOM 0 HG22 THR A 68 -5.348 -1.149 -8.498 1.00 0.00 H new ATOM 0 HG23 THR A 68 -6.114 0.333 -7.879 1.00 0.00 H new ATOM 1023 N ASN A 69 -3.376 -1.700 -6.721 1.00 0.00 N ATOM 1024 CA ASN A 69 -2.878 -3.055 -6.278 1.00 0.00 C ATOM 1025 C ASN A 69 -1.541 -3.516 -6.892 1.00 0.00 C ATOM 1026 O ASN A 69 -1.491 -4.169 -7.956 1.00 0.00 O ATOM 1027 CB ASN A 69 -3.963 -4.126 -6.462 1.00 0.00 C ATOM 1028 CG ASN A 69 -3.557 -5.500 -5.947 1.00 0.00 C ATOM 1029 OD1 ASN A 69 -2.777 -5.628 -5.009 1.00 0.00 O ATOM 1030 ND2 ASN A 69 -4.114 -6.535 -6.527 1.00 0.00 N ATOM 0 H ASN A 69 -4.305 -1.499 -6.351 1.00 0.00 H new ATOM 0 HA ASN A 69 -2.657 -2.926 -5.218 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -4.868 -3.807 -5.946 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -4.210 -4.203 -7.521 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -3.902 -7.478 -6.200 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -4.759 -6.398 -7.305 1.00 0.00 H new ATOM 1037 N PRO A 70 -0.444 -3.106 -6.250 1.00 0.00 N ATOM 1038 CA PRO A 70 0.901 -3.439 -6.647 1.00 0.00 C ATOM 1039 C PRO A 70 1.481 -4.607 -5.857 1.00 0.00 C ATOM 1040 O PRO A 70 1.129 -4.840 -4.704 1.00 0.00 O ATOM 1041 CB PRO A 70 1.659 -2.152 -6.326 1.00 0.00 C ATOM 1042 CG PRO A 70 0.849 -1.462 -5.256 1.00 0.00 C ATOM 1043 CD PRO A 70 -0.428 -2.233 -5.080 1.00 0.00 C ATOM 0 HA PRO A 70 0.960 -3.758 -7.688 1.00 0.00 H new ATOM 0 HB2 PRO A 70 2.668 -2.368 -5.976 1.00 0.00 H new ATOM 0 HB3 PRO A 70 1.757 -1.523 -7.211 1.00 0.00 H new ATOM 0 HG2 PRO A 70 1.405 -1.425 -4.319 1.00 0.00 H new ATOM 0 HG3 PRO A 70 0.637 -0.432 -5.542 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -0.432 -2.802 -4.151 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -1.297 -1.575 -5.054 1.00 0.00 H new ATOM 1051 N SER A 71 2.358 -5.326 -6.484 1.00 0.00 N ATOM 1052 CA SER A 71 3.013 -6.435 -5.858 1.00 0.00 C ATOM 1053 C SER A 71 4.109 -5.897 -4.926 1.00 0.00 C ATOM 1054 O SER A 71 4.471 -4.707 -5.003 1.00 0.00 O ATOM 1055 CB SER A 71 3.615 -7.316 -6.944 1.00 0.00 C ATOM 1056 OG SER A 71 2.670 -7.523 -7.987 1.00 0.00 O ATOM 0 H SER A 71 2.642 -5.161 -7.450 1.00 0.00 H new ATOM 0 HA SER A 71 2.309 -7.025 -5.271 1.00 0.00 H new ATOM 0 HB2 SER A 71 4.514 -6.848 -7.345 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.916 -8.274 -6.520 1.00 0.00 H new ATOM 0 HG SER A 71 2.663 -6.744 -8.582 1.00 0.00 H new ATOM 1062 N ALA A 72 4.656 -6.760 -4.096 1.00 0.00 N ATOM 1063 CA ALA A 72 5.659 -6.373 -3.123 1.00 0.00 C ATOM 1064 C ALA A 72 6.905 -5.779 -3.778 1.00 0.00 C ATOM 1065 O ALA A 72 7.459 -4.824 -3.277 1.00 0.00 O ATOM 1066 CB ALA A 72 6.000 -7.541 -2.223 1.00 0.00 C ATOM 0 H ALA A 72 4.418 -7.752 -4.076 1.00 0.00 H new ATOM 0 HA ALA A 72 5.233 -5.581 -2.507 1.00 0.00 H new ATOM 0 HB1 ALA A 72 6.754 -7.234 -1.498 1.00 0.00 H new ATOM 0 HB2 ALA A 72 5.103 -7.869 -1.697 1.00 0.00 H new ATOM 0 HB3 ALA A 72 6.388 -8.363 -2.825 1.00 0.00 H new ATOM 1072 N ASP A 73 7.304 -6.302 -4.918 1.00 0.00 N ATOM 1073 CA ASP A 73 8.485 -5.774 -5.625 1.00 0.00 C ATOM 1074 C ASP A 73 8.195 -4.381 -6.174 1.00 0.00 C ATOM 1075 O ASP A 73 9.045 -3.495 -6.156 1.00 0.00 O ATOM 1076 CB ASP A 73 8.895 -6.698 -6.773 1.00 0.00 C ATOM 1077 CG ASP A 73 10.181 -6.257 -7.460 1.00 0.00 C ATOM 1078 OD1 ASP A 73 11.280 -6.560 -6.937 1.00 0.00 O ATOM 1079 OD2 ASP A 73 10.119 -5.659 -8.555 1.00 0.00 O ATOM 0 H ASP A 73 6.844 -7.084 -5.383 1.00 0.00 H new ATOM 0 HA ASP A 73 9.305 -5.719 -4.909 1.00 0.00 H new ATOM 0 HB2 ASP A 73 9.023 -7.710 -6.390 1.00 0.00 H new ATOM 0 HB3 ASP A 73 8.091 -6.735 -7.508 1.00 0.00 H new ATOM 1084 N GLU A 74 6.954 -4.182 -6.578 1.00 0.00 N ATOM 1085 CA GLU A 74 6.523 -2.942 -7.191 1.00 0.00 C ATOM 1086 C GLU A 74 6.458 -1.822 -6.159 1.00 0.00 C ATOM 1087 O GLU A 74 6.748 -0.668 -6.464 1.00 0.00 O ATOM 1088 CB GLU A 74 5.170 -3.134 -7.878 1.00 0.00 C ATOM 1089 CG GLU A 74 5.165 -4.297 -8.853 1.00 0.00 C ATOM 1090 CD GLU A 74 3.883 -4.434 -9.625 1.00 0.00 C ATOM 1091 OE1 GLU A 74 2.903 -4.999 -9.087 1.00 0.00 O ATOM 1092 OE2 GLU A 74 3.848 -4.014 -10.801 1.00 0.00 O ATOM 0 H GLU A 74 6.215 -4.879 -6.489 1.00 0.00 H new ATOM 0 HA GLU A 74 7.254 -2.656 -7.947 1.00 0.00 H new ATOM 0 HB2 GLU A 74 4.403 -3.297 -7.121 1.00 0.00 H new ATOM 0 HB3 GLU A 74 4.904 -2.220 -8.409 1.00 0.00 H new ATOM 0 HG2 GLU A 74 5.990 -4.174 -9.555 1.00 0.00 H new ATOM 0 HG3 GLU A 74 5.348 -5.221 -8.304 1.00 0.00 H new ATOM 1099 N VAL A 75 6.083 -2.164 -4.941 1.00 0.00 N ATOM 1100 CA VAL A 75 6.054 -1.177 -3.880 1.00 0.00 C ATOM 1101 C VAL A 75 7.452 -0.897 -3.330 1.00 0.00 C ATOM 1102 O VAL A 75 7.776 0.250 -3.007 1.00 0.00 O ATOM 1103 CB VAL A 75 5.046 -1.505 -2.736 1.00 0.00 C ATOM 1104 CG1 VAL A 75 3.640 -1.337 -3.229 1.00 0.00 C ATOM 1105 CG2 VAL A 75 5.203 -2.916 -2.257 1.00 0.00 C ATOM 0 H VAL A 75 5.798 -3.104 -4.665 1.00 0.00 H new ATOM 0 HA VAL A 75 5.682 -0.264 -4.346 1.00 0.00 H new ATOM 0 HB VAL A 75 5.253 -0.820 -1.914 1.00 0.00 H new ATOM 0 HG11 VAL A 75 2.942 -1.568 -2.424 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.489 -0.308 -3.556 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.465 -2.013 -4.066 1.00 0.00 H new ATOM 0 HG21 VAL A 75 4.486 -3.112 -1.460 1.00 0.00 H new ATOM 0 HG22 VAL A 75 5.023 -3.603 -3.084 1.00 0.00 H new ATOM 0 HG23 VAL A 75 6.215 -3.061 -1.878 1.00 0.00 H new ATOM 1115 N LYS A 76 8.298 -1.932 -3.276 1.00 0.00 N ATOM 1116 CA LYS A 76 9.676 -1.778 -2.806 1.00 0.00 C ATOM 1117 C LYS A 76 10.463 -0.865 -3.732 1.00 0.00 C ATOM 1118 O LYS A 76 11.302 -0.109 -3.269 1.00 0.00 O ATOM 1119 CB LYS A 76 10.379 -3.136 -2.654 1.00 0.00 C ATOM 1120 CG LYS A 76 9.777 -4.011 -1.569 1.00 0.00 C ATOM 1121 CD LYS A 76 10.357 -5.426 -1.562 1.00 0.00 C ATOM 1122 CE LYS A 76 11.747 -5.499 -0.963 1.00 0.00 C ATOM 1123 NZ LYS A 76 11.758 -5.235 0.497 1.00 0.00 N ATOM 0 H LYS A 76 8.052 -2.883 -3.552 1.00 0.00 H new ATOM 0 HA LYS A 76 9.636 -1.317 -1.819 1.00 0.00 H new ATOM 0 HB2 LYS A 76 10.335 -3.668 -3.605 1.00 0.00 H new ATOM 0 HB3 LYS A 76 11.433 -2.968 -2.431 1.00 0.00 H new ATOM 0 HG2 LYS A 76 9.949 -3.548 -0.597 1.00 0.00 H new ATOM 0 HG3 LYS A 76 8.698 -4.066 -1.710 1.00 0.00 H new ATOM 0 HD2 LYS A 76 9.692 -6.082 -1.000 1.00 0.00 H new ATOM 0 HD3 LYS A 76 10.389 -5.804 -2.584 1.00 0.00 H new ATOM 0 HE2 LYS A 76 12.168 -6.486 -1.152 1.00 0.00 H new ATOM 0 HE3 LYS A 76 12.392 -4.776 -1.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 12.728 -5.331 0.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 11.415 -4.270 0.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 11.139 -5.919 0.978 1.00 0.00 H new ATOM 1137 N ALA A 77 10.138 -0.916 -5.029 1.00 0.00 N ATOM 1138 CA ALA A 77 10.772 -0.082 -6.058 1.00 0.00 C ATOM 1139 C ALA A 77 10.697 1.407 -5.710 1.00 0.00 C ATOM 1140 O ALA A 77 11.654 2.155 -5.920 1.00 0.00 O ATOM 1141 CB ALA A 77 10.133 -0.340 -7.410 1.00 0.00 C ATOM 0 H ALA A 77 9.422 -1.542 -5.397 1.00 0.00 H new ATOM 0 HA ALA A 77 11.826 -0.356 -6.101 1.00 0.00 H new ATOM 0 HB1 ALA A 77 10.612 0.285 -8.164 1.00 0.00 H new ATOM 0 HB2 ALA A 77 10.256 -1.390 -7.676 1.00 0.00 H new ATOM 0 HB3 ALA A 77 9.071 -0.100 -7.362 1.00 0.00 H new ATOM 1147 N LYS A 78 9.563 1.836 -5.184 1.00 0.00 N ATOM 1148 CA LYS A 78 9.437 3.204 -4.733 1.00 0.00 C ATOM 1149 C LYS A 78 9.995 3.365 -3.349 1.00 0.00 C ATOM 1150 O LYS A 78 10.839 4.226 -3.110 1.00 0.00 O ATOM 1151 CB LYS A 78 8.002 3.718 -4.756 1.00 0.00 C ATOM 1152 CG LYS A 78 7.611 4.441 -6.023 1.00 0.00 C ATOM 1153 CD LYS A 78 6.247 5.082 -5.863 1.00 0.00 C ATOM 1154 CE LYS A 78 5.900 5.982 -7.030 1.00 0.00 C ATOM 1155 NZ LYS A 78 6.757 7.202 -7.117 1.00 0.00 N ATOM 0 H LYS A 78 8.728 1.263 -5.061 1.00 0.00 H new ATOM 0 HA LYS A 78 10.011 3.801 -5.441 1.00 0.00 H new ATOM 0 HB2 LYS A 78 7.326 2.875 -4.611 1.00 0.00 H new ATOM 0 HB3 LYS A 78 7.858 4.391 -3.911 1.00 0.00 H new ATOM 0 HG2 LYS A 78 8.353 5.204 -6.259 1.00 0.00 H new ATOM 0 HG3 LYS A 78 7.596 3.742 -6.859 1.00 0.00 H new ATOM 0 HD2 LYS A 78 5.490 4.303 -5.769 1.00 0.00 H new ATOM 0 HD3 LYS A 78 6.225 5.661 -4.940 1.00 0.00 H new ATOM 0 HE2 LYS A 78 5.994 5.415 -7.956 1.00 0.00 H new ATOM 0 HE3 LYS A 78 4.857 6.286 -6.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 6.392 7.830 -7.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 6.743 7.702 -6.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 7.733 6.925 -7.345 1.00 0.00 H new ATOM 1169 N LEU A 79 9.550 2.493 -2.458 1.00 0.00 N ATOM 1170 CA LEU A 79 9.874 2.541 -1.035 1.00 0.00 C ATOM 1171 C LEU A 79 11.381 2.640 -0.765 1.00 0.00 C ATOM 1172 O LEU A 79 11.809 3.372 0.145 1.00 0.00 O ATOM 1173 CB LEU A 79 9.270 1.323 -0.334 1.00 0.00 C ATOM 1174 CG LEU A 79 9.563 1.175 1.150 1.00 0.00 C ATOM 1175 CD1 LEU A 79 9.060 2.372 1.939 1.00 0.00 C ATOM 1176 CD2 LEU A 79 8.963 -0.104 1.681 1.00 0.00 C ATOM 0 H LEU A 79 8.940 1.714 -2.706 1.00 0.00 H new ATOM 0 HA LEU A 79 9.438 3.454 -0.629 1.00 0.00 H new ATOM 0 HB2 LEU A 79 8.188 1.356 -0.466 1.00 0.00 H new ATOM 0 HB3 LEU A 79 9.626 0.427 -0.842 1.00 0.00 H new ATOM 0 HG LEU A 79 10.645 1.131 1.274 1.00 0.00 H new ATOM 0 HD11 LEU A 79 9.286 2.232 2.996 1.00 0.00 H new ATOM 0 HD12 LEU A 79 9.550 3.277 1.579 1.00 0.00 H new ATOM 0 HD13 LEU A 79 7.982 2.467 1.808 1.00 0.00 H new ATOM 0 HD21 LEU A 79 9.182 -0.194 2.745 1.00 0.00 H new ATOM 0 HD22 LEU A 79 7.883 -0.088 1.533 1.00 0.00 H new ATOM 0 HD23 LEU A 79 9.390 -0.954 1.149 1.00 0.00 H new ATOM 1188 N VAL A 80 12.172 1.955 -1.569 1.00 0.00 N ATOM 1189 CA VAL A 80 13.610 1.959 -1.413 1.00 0.00 C ATOM 1190 C VAL A 80 14.192 3.377 -1.580 1.00 0.00 C ATOM 1191 O VAL A 80 15.053 3.792 -0.811 1.00 0.00 O ATOM 1192 CB VAL A 80 14.312 0.944 -2.380 1.00 0.00 C ATOM 1193 CG1 VAL A 80 14.098 1.289 -3.850 1.00 0.00 C ATOM 1194 CG2 VAL A 80 15.782 0.847 -2.073 1.00 0.00 C ATOM 0 H VAL A 80 11.836 1.384 -2.344 1.00 0.00 H new ATOM 0 HA VAL A 80 13.817 1.630 -0.395 1.00 0.00 H new ATOM 0 HB VAL A 80 13.846 -0.026 -2.208 1.00 0.00 H new ATOM 0 HG11 VAL A 80 14.606 0.553 -4.474 1.00 0.00 H new ATOM 0 HG12 VAL A 80 13.031 1.281 -4.074 1.00 0.00 H new ATOM 0 HG13 VAL A 80 14.504 2.280 -4.054 1.00 0.00 H new ATOM 0 HG21 VAL A 80 16.250 0.138 -2.755 1.00 0.00 H new ATOM 0 HG22 VAL A 80 16.244 1.827 -2.195 1.00 0.00 H new ATOM 0 HG23 VAL A 80 15.918 0.507 -1.046 1.00 0.00 H new ATOM 1204 N LYS A 81 13.647 4.134 -2.518 1.00 0.00 N ATOM 1205 CA LYS A 81 14.143 5.469 -2.811 1.00 0.00 C ATOM 1206 C LYS A 81 13.595 6.465 -1.810 1.00 0.00 C ATOM 1207 O LYS A 81 14.174 7.525 -1.586 1.00 0.00 O ATOM 1208 CB LYS A 81 13.717 5.911 -4.210 1.00 0.00 C ATOM 1209 CG LYS A 81 14.116 4.975 -5.335 1.00 0.00 C ATOM 1210 CD LYS A 81 13.667 5.541 -6.668 1.00 0.00 C ATOM 1211 CE LYS A 81 13.921 4.581 -7.812 1.00 0.00 C ATOM 1212 NZ LYS A 81 13.461 5.139 -9.103 1.00 0.00 N ATOM 0 H LYS A 81 12.856 3.844 -3.093 1.00 0.00 H new ATOM 0 HA LYS A 81 15.231 5.437 -2.752 1.00 0.00 H new ATOM 0 HB2 LYS A 81 12.633 6.026 -4.222 1.00 0.00 H new ATOM 0 HB3 LYS A 81 14.144 6.894 -4.408 1.00 0.00 H new ATOM 0 HG2 LYS A 81 15.197 4.835 -5.336 1.00 0.00 H new ATOM 0 HG3 LYS A 81 13.668 3.994 -5.178 1.00 0.00 H new ATOM 0 HD2 LYS A 81 12.603 5.775 -6.622 1.00 0.00 H new ATOM 0 HD3 LYS A 81 14.191 6.477 -6.858 1.00 0.00 H new ATOM 0 HE2 LYS A 81 14.986 4.357 -7.870 1.00 0.00 H new ATOM 0 HE3 LYS A 81 13.408 3.639 -7.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 13.650 4.456 -9.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 12.440 5.329 -9.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 13.969 6.025 -9.299 1.00 0.00 H new ATOM 1226 N ILE A 82 12.477 6.125 -1.227 1.00 0.00 N ATOM 1227 CA ILE A 82 11.793 7.000 -0.303 1.00 0.00 C ATOM 1228 C ILE A 82 12.435 6.939 1.086 1.00 0.00 C ATOM 1229 O ILE A 82 12.752 7.979 1.682 1.00 0.00 O ATOM 1230 CB ILE A 82 10.285 6.625 -0.210 1.00 0.00 C ATOM 1231 CG1 ILE A 82 9.652 6.664 -1.610 1.00 0.00 C ATOM 1232 CG2 ILE A 82 9.545 7.579 0.736 1.00 0.00 C ATOM 1233 CD1 ILE A 82 8.235 6.151 -1.672 1.00 0.00 C ATOM 0 H ILE A 82 12.010 5.231 -1.378 1.00 0.00 H new ATOM 0 HA ILE A 82 11.880 8.019 -0.679 1.00 0.00 H new ATOM 0 HB ILE A 82 10.200 5.615 0.192 1.00 0.00 H new ATOM 0 HG12 ILE A 82 9.669 7.691 -1.974 1.00 0.00 H new ATOM 0 HG13 ILE A 82 10.268 6.075 -2.290 1.00 0.00 H new ATOM 0 HG21 ILE A 82 8.493 7.298 0.786 1.00 0.00 H new ATOM 0 HG22 ILE A 82 9.985 7.518 1.732 1.00 0.00 H new ATOM 0 HG23 ILE A 82 9.631 8.600 0.364 1.00 0.00 H new ATOM 0 HD11 ILE A 82 7.869 6.216 -2.697 1.00 0.00 H new ATOM 0 HD12 ILE A 82 8.209 5.112 -1.342 1.00 0.00 H new ATOM 0 HD13 ILE A 82 7.601 6.754 -1.022 1.00 0.00 H new ATOM 1245 N ALA A 83 12.647 5.738 1.583 1.00 0.00 N ATOM 1246 CA ALA A 83 13.172 5.566 2.928 1.00 0.00 C ATOM 1247 C ALA A 83 14.684 5.435 2.957 1.00 0.00 C ATOM 1248 O ALA A 83 15.326 5.879 3.905 1.00 0.00 O ATOM 1249 CB ALA A 83 12.542 4.357 3.590 1.00 0.00 C ATOM 0 H ALA A 83 12.466 4.869 1.081 1.00 0.00 H new ATOM 0 HA ALA A 83 12.913 6.469 3.481 1.00 0.00 H new ATOM 0 HB1 ALA A 83 12.945 4.242 4.596 1.00 0.00 H new ATOM 0 HB2 ALA A 83 11.462 4.494 3.645 1.00 0.00 H new ATOM 0 HB3 ALA A 83 12.765 3.465 3.005 1.00 0.00 H new