USER MOD reduce.3.24.130724 H: found=0, std=0, add=647, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 648 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 36 THR OG1 : rot 150:sc= 0 USER MOD Set 1.2: A 65 HIS :FLIP no HD1:sc= -1.85 F(o=-2.9,f=-1.8) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot -165:sc= -0.639 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 151:sc= 0.854 USER MOD Single : A 29 SER OG : rot 44:sc= 0.4 USER MOD Single : A 30 SER OG : rot 51:sc= 0.34 USER MOD Single : A 35 ASN : amide:sc= -1 K(o=-1,f=-2.1!) USER MOD Single : A 38 ASN : amide:sc= -0.433 X(o=-0.43,f=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.677 USER MOD Single : A 52 SER OG : rot 180:sc= -0.0613 USER MOD Single : A 53 LYS NZ :NH3+ 160:sc= -0.0553 (180deg=-0.357) USER MOD Single : A 55 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 58 CYS SG : rot 180:sc= -0.903 USER MOD Single : A 61 CYS SG : rot 170:sc= -6.72! USER MOD Single : A 68 THR OG1 : rot -82:sc= 0.0368 USER MOD Single : A 69 TYR OH : rot 175:sc= 1.2 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl 168:sc= -0.0134 (180deg=-0.236) USER MOD Single : A 76 ASN : amide:sc= -0.592 X(o=-0.59,f=-0.97) USER MOD Single : A 77 TYR OH : rot -38:sc= 1.63 USER MOD Single : A 82 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.0629) USER MOD Single : A 83 TYR OH : rot -59:sc= 0.327 USER MOD Single : A 87 GLN : amide:sc= 1.23 K(o=1.2,f=-0.024) USER MOD Single : A 88 HIS : no HD1:sc= -0.673 K(o=-0.67,f=-1.7) USER MOD Single : A 92 SER OG : rot -0:sc= 0.685 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ -158:sc= -0.0592 (180deg=-0.372) USER MOD Single : A 99 THR OG1 : rot -47:sc= 0.338 USER MOD ----------------------------------------------------------------- ATOM 83 N ASP A 10 7.203 -16.975 1.108 1.00 0.00 N ATOM 84 CA ASP A 10 6.354 -17.248 2.261 1.00 0.00 C ATOM 85 C ASP A 10 5.612 -15.989 2.699 1.00 0.00 C ATOM 86 O ASP A 10 6.183 -15.081 3.304 1.00 0.00 O ATOM 87 CB ASP A 10 7.190 -17.791 3.420 1.00 0.00 C ATOM 88 CG ASP A 10 7.724 -19.183 3.146 1.00 0.00 C ATOM 89 OD1 ASP A 10 6.973 -20.159 3.353 1.00 0.00 O ATOM 90 OD2 ASP A 10 8.894 -19.297 2.723 1.00 0.00 O ATOM 0 HA ASP A 10 5.619 -17.999 1.971 1.00 0.00 H new ATOM 0 HB2 ASP A 10 8.024 -17.116 3.610 1.00 0.00 H new ATOM 0 HB3 ASP A 10 6.583 -17.810 4.325 1.00 0.00 H new ATOM 95 N PRO A 11 4.308 -15.931 2.387 1.00 0.00 N ATOM 96 CA PRO A 11 3.460 -14.788 2.739 1.00 0.00 C ATOM 97 C PRO A 11 3.206 -14.695 4.239 1.00 0.00 C ATOM 98 O PRO A 11 3.048 -13.604 4.786 1.00 0.00 O ATOM 99 CB PRO A 11 2.155 -15.072 1.992 1.00 0.00 C ATOM 100 CG PRO A 11 2.128 -16.552 1.824 1.00 0.00 C ATOM 101 CD PRO A 11 3.562 -16.977 1.668 1.00 0.00 C ATOM 0 HA PRO A 11 3.923 -13.839 2.470 1.00 0.00 H new ATOM 0 HB2 PRO A 11 1.291 -14.722 2.557 1.00 0.00 H new ATOM 0 HB3 PRO A 11 2.132 -14.564 1.028 1.00 0.00 H new ATOM 0 HG2 PRO A 11 1.670 -17.034 2.687 1.00 0.00 H new ATOM 0 HG3 PRO A 11 1.540 -16.835 0.951 1.00 0.00 H new ATOM 0 HD2 PRO A 11 3.738 -17.963 2.098 1.00 0.00 H new ATOM 0 HD3 PRO A 11 3.854 -17.030 0.619 1.00 0.00 H new ATOM 109 N GLY A 12 3.168 -15.848 4.901 1.00 0.00 N ATOM 110 CA GLY A 12 2.932 -15.873 6.333 1.00 0.00 C ATOM 111 C GLY A 12 3.928 -15.026 7.100 1.00 0.00 C ATOM 112 O GLY A 12 3.600 -14.459 8.143 1.00 0.00 O ATOM 0 H GLY A 12 3.296 -16.764 4.471 1.00 0.00 H new ATOM 0 HA2 GLY A 12 1.923 -15.516 6.538 1.00 0.00 H new ATOM 0 HA3 GLY A 12 2.985 -16.902 6.689 1.00 0.00 H new ATOM 116 N LEU A 13 5.150 -14.940 6.584 1.00 0.00 N ATOM 117 CA LEU A 13 6.198 -14.157 7.229 1.00 0.00 C ATOM 118 C LEU A 13 6.301 -12.769 6.606 1.00 0.00 C ATOM 119 O LEU A 13 7.349 -12.124 6.669 1.00 0.00 O ATOM 120 CB LEU A 13 7.542 -14.879 7.117 1.00 0.00 C ATOM 121 CG LEU A 13 7.537 -16.366 7.475 1.00 0.00 C ATOM 122 CD1 LEU A 13 8.944 -16.938 7.397 1.00 0.00 C ATOM 123 CD2 LEU A 13 6.948 -16.579 8.861 1.00 0.00 C ATOM 0 H LEU A 13 5.439 -15.402 5.722 1.00 0.00 H new ATOM 0 HA LEU A 13 5.939 -14.045 8.282 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.905 -14.773 6.095 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.259 -14.373 7.763 1.00 0.00 H new ATOM 0 HG LEU A 13 6.913 -16.892 6.753 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.921 -17.997 7.655 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.329 -16.819 6.384 1.00 0.00 H new ATOM 0 HD13 LEU A 13 9.591 -16.408 8.096 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.953 -17.643 9.099 1.00 0.00 H new ATOM 0 HD22 LEU A 13 7.545 -16.040 9.597 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.924 -16.207 8.882 1.00 0.00 H new ATOM 135 N VAL A 14 5.206 -12.312 6.006 1.00 0.00 N ATOM 136 CA VAL A 14 5.172 -10.998 5.375 1.00 0.00 C ATOM 137 C VAL A 14 4.051 -10.141 5.952 1.00 0.00 C ATOM 138 O VAL A 14 2.893 -10.557 5.989 1.00 0.00 O ATOM 139 CB VAL A 14 4.983 -11.112 3.851 1.00 0.00 C ATOM 140 CG1 VAL A 14 4.742 -9.741 3.238 1.00 0.00 C ATOM 141 CG2 VAL A 14 6.190 -11.785 3.214 1.00 0.00 C ATOM 0 H VAL A 14 4.331 -12.832 5.944 1.00 0.00 H new ATOM 0 HA VAL A 14 6.131 -10.523 5.580 1.00 0.00 H new ATOM 0 HB VAL A 14 4.106 -11.729 3.656 1.00 0.00 H new ATOM 0 HG11 VAL A 14 4.611 -9.842 2.161 1.00 0.00 H new ATOM 0 HG12 VAL A 14 3.845 -9.301 3.673 1.00 0.00 H new ATOM 0 HG13 VAL A 14 5.597 -9.096 3.440 1.00 0.00 H new ATOM 0 HG21 VAL A 14 6.040 -11.858 2.137 1.00 0.00 H new ATOM 0 HG22 VAL A 14 7.084 -11.196 3.417 1.00 0.00 H new ATOM 0 HG23 VAL A 14 6.312 -12.785 3.631 1.00 0.00 H new ATOM 151 N SER A 15 4.403 -8.940 6.401 1.00 0.00 N ATOM 152 CA SER A 15 3.427 -8.024 6.980 1.00 0.00 C ATOM 153 C SER A 15 3.738 -6.582 6.590 1.00 0.00 C ATOM 154 O SER A 15 4.843 -6.272 6.148 1.00 0.00 O ATOM 155 CB SER A 15 3.408 -8.160 8.503 1.00 0.00 C ATOM 156 OG SER A 15 3.014 -9.464 8.894 1.00 0.00 O ATOM 0 H SER A 15 5.357 -8.579 6.375 1.00 0.00 H new ATOM 0 HA SER A 15 2.444 -8.284 6.588 1.00 0.00 H new ATOM 0 HB2 SER A 15 4.398 -7.941 8.903 1.00 0.00 H new ATOM 0 HB3 SER A 15 2.723 -7.427 8.928 1.00 0.00 H new ATOM 0 HG SER A 15 3.011 -9.525 9.872 1.00 0.00 H new ATOM 162 N ALA A 16 2.754 -5.705 6.759 1.00 0.00 N ATOM 163 CA ALA A 16 2.922 -4.295 6.428 1.00 0.00 C ATOM 164 C ALA A 16 2.441 -3.403 7.567 1.00 0.00 C ATOM 165 O ALA A 16 1.374 -3.630 8.138 1.00 0.00 O ATOM 166 CB ALA A 16 2.178 -3.963 5.143 1.00 0.00 C ATOM 0 H ALA A 16 1.832 -5.946 7.123 1.00 0.00 H new ATOM 0 HA ALA A 16 3.985 -4.106 6.278 1.00 0.00 H new ATOM 0 HB1 ALA A 16 2.312 -2.907 4.908 1.00 0.00 H new ATOM 0 HB2 ALA A 16 2.572 -4.569 4.327 1.00 0.00 H new ATOM 0 HB3 ALA A 16 1.116 -4.174 5.272 1.00 0.00 H new ATOM 172 N TYR A 17 3.233 -2.387 7.892 1.00 0.00 N ATOM 173 CA TYR A 17 2.889 -1.462 8.965 1.00 0.00 C ATOM 174 C TYR A 17 3.041 -0.015 8.506 1.00 0.00 C ATOM 175 O TYR A 17 3.954 0.316 7.751 1.00 0.00 O ATOM 176 CB TYR A 17 3.771 -1.717 10.189 1.00 0.00 C ATOM 177 CG TYR A 17 5.251 -1.603 9.902 1.00 0.00 C ATOM 178 CD1 TYR A 17 5.903 -0.379 9.988 1.00 0.00 C ATOM 179 CD2 TYR A 17 5.998 -2.719 9.545 1.00 0.00 C ATOM 180 CE1 TYR A 17 7.255 -0.270 9.727 1.00 0.00 C ATOM 181 CE2 TYR A 17 7.350 -2.619 9.284 1.00 0.00 C ATOM 182 CZ TYR A 17 7.974 -1.393 9.376 1.00 0.00 C ATOM 183 OH TYR A 17 9.322 -1.289 9.115 1.00 0.00 O ATOM 0 H TYR A 17 4.118 -2.183 7.427 1.00 0.00 H new ATOM 0 HA TYR A 17 1.847 -1.630 9.236 1.00 0.00 H new ATOM 0 HB2 TYR A 17 3.505 -1.007 10.972 1.00 0.00 H new ATOM 0 HB3 TYR A 17 3.560 -2.713 10.577 1.00 0.00 H new ATOM 0 HD1 TYR A 17 5.343 0.502 10.264 1.00 0.00 H new ATOM 0 HD2 TYR A 17 5.513 -3.681 9.470 1.00 0.00 H new ATOM 0 HE1 TYR A 17 7.746 0.689 9.797 1.00 0.00 H new ATOM 0 HE2 TYR A 17 7.916 -3.497 9.009 1.00 0.00 H new ATOM 0 HH TYR A 17 9.630 -2.099 8.658 1.00 0.00 H new ATOM 193 N GLY A 18 2.139 0.844 8.971 1.00 0.00 N ATOM 194 CA GLY A 18 2.190 2.246 8.600 1.00 0.00 C ATOM 195 C GLY A 18 0.833 2.916 8.678 1.00 0.00 C ATOM 196 O GLY A 18 -0.209 2.260 8.662 1.00 0.00 O ATOM 0 H GLY A 18 1.374 0.594 9.598 1.00 0.00 H new ATOM 0 HA2 GLY A 18 2.887 2.767 9.256 1.00 0.00 H new ATOM 0 HA3 GLY A 18 2.579 2.336 7.586 1.00 0.00 H new ATOM 200 N PRO A 19 0.833 4.255 8.766 1.00 0.00 N ATOM 201 CA PRO A 19 -0.400 5.043 8.850 1.00 0.00 C ATOM 202 C PRO A 19 -1.185 5.032 7.542 1.00 0.00 C ATOM 203 O PRO A 19 -2.395 5.254 7.532 1.00 0.00 O ATOM 204 CB PRO A 19 0.103 6.455 9.159 1.00 0.00 C ATOM 205 CG PRO A 19 1.490 6.491 8.618 1.00 0.00 C ATOM 206 CD PRO A 19 2.038 5.102 8.790 1.00 0.00 C ATOM 0 HA PRO A 19 -1.087 4.647 9.598 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -0.525 7.211 8.688 1.00 0.00 H new ATOM 0 HB3 PRO A 19 0.091 6.654 10.231 1.00 0.00 H new ATOM 0 HG2 PRO A 19 1.492 6.784 7.568 1.00 0.00 H new ATOM 0 HG3 PRO A 19 2.099 7.220 9.153 1.00 0.00 H new ATOM 0 HD2 PRO A 19 2.729 4.841 7.989 1.00 0.00 H new ATOM 0 HD3 PRO A 19 2.584 4.998 9.728 1.00 0.00 H new ATOM 214 N GLY A 20 -0.488 4.771 6.441 1.00 0.00 N ATOM 215 CA GLY A 20 -1.137 4.735 5.143 1.00 0.00 C ATOM 216 C GLY A 20 -2.116 3.585 5.016 1.00 0.00 C ATOM 217 O GLY A 20 -3.161 3.717 4.377 1.00 0.00 O ATOM 0 H GLY A 20 0.515 4.584 6.424 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -1.662 5.675 4.977 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -0.380 4.651 4.364 1.00 0.00 H new ATOM 221 N LEU A 21 -1.779 2.453 5.625 1.00 0.00 N ATOM 222 CA LEU A 21 -2.637 1.274 5.576 1.00 0.00 C ATOM 223 C LEU A 21 -3.876 1.465 6.444 1.00 0.00 C ATOM 224 O LEU A 21 -4.983 1.101 6.050 1.00 0.00 O ATOM 225 CB LEU A 21 -1.863 0.037 6.037 1.00 0.00 C ATOM 226 CG LEU A 21 -0.481 -0.161 5.412 1.00 0.00 C ATOM 227 CD1 LEU A 21 0.426 -0.932 6.359 1.00 0.00 C ATOM 228 CD2 LEU A 21 -0.598 -0.883 4.077 1.00 0.00 C ATOM 0 H LEU A 21 -0.919 2.327 6.158 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.958 1.131 4.544 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -1.746 0.089 7.120 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.466 -0.845 5.823 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.039 0.819 5.235 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.405 -1.064 5.898 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.535 -0.377 7.291 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.011 -1.908 6.567 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.395 -1.015 3.647 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.060 -1.858 4.230 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.213 -0.293 3.397 1.00 0.00 H new ATOM 240 N GLU A 22 -3.681 2.041 7.626 1.00 0.00 N ATOM 241 CA GLU A 22 -4.784 2.282 8.549 1.00 0.00 C ATOM 242 C GLU A 22 -5.560 3.536 8.154 1.00 0.00 C ATOM 243 O GLU A 22 -6.719 3.705 8.528 1.00 0.00 O ATOM 244 CB GLU A 22 -4.260 2.422 9.980 1.00 0.00 C ATOM 245 CG GLU A 22 -4.034 1.092 10.678 1.00 0.00 C ATOM 246 CD GLU A 22 -4.199 1.187 12.182 1.00 0.00 C ATOM 247 OE1 GLU A 22 -5.282 1.613 12.634 1.00 0.00 O ATOM 248 OE2 GLU A 22 -3.245 0.836 12.907 1.00 0.00 O ATOM 0 H GLU A 22 -2.770 2.349 7.967 1.00 0.00 H new ATOM 0 HA GLU A 22 -5.459 1.428 8.499 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -3.322 2.977 9.962 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -4.969 3.012 10.561 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -4.735 0.356 10.285 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.031 0.731 10.448 1.00 0.00 H new ATOM 255 N GLY A 23 -4.909 4.413 7.396 1.00 0.00 N ATOM 256 CA GLY A 23 -5.552 5.640 6.964 1.00 0.00 C ATOM 257 C GLY A 23 -4.962 6.869 7.629 1.00 0.00 C ATOM 258 O GLY A 23 -4.048 6.763 8.445 1.00 0.00 O ATOM 0 H GLY A 23 -3.948 4.296 7.074 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -5.457 5.735 5.882 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -6.618 5.586 7.187 1.00 0.00 H new ATOM 262 N GLY A 24 -5.486 8.039 7.277 1.00 0.00 N ATOM 263 CA GLY A 24 -4.992 9.276 7.854 1.00 0.00 C ATOM 264 C GLY A 24 -5.823 10.477 7.447 1.00 0.00 C ATOM 265 O GLY A 24 -7.014 10.550 7.752 1.00 0.00 O ATOM 0 H GLY A 24 -6.243 8.153 6.603 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -4.989 9.191 8.941 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.959 9.431 7.544 1.00 0.00 H new ATOM 269 N THR A 25 -5.194 11.424 6.758 1.00 0.00 N ATOM 270 CA THR A 25 -5.881 12.629 6.313 1.00 0.00 C ATOM 271 C THR A 25 -5.786 12.788 4.799 1.00 0.00 C ATOM 272 O THR A 25 -4.885 12.243 4.162 1.00 0.00 O ATOM 273 CB THR A 25 -5.303 13.888 6.987 1.00 0.00 C ATOM 274 OG1 THR A 25 -5.514 13.826 8.402 1.00 0.00 O ATOM 275 CG2 THR A 25 -5.950 15.147 6.428 1.00 0.00 C ATOM 0 H THR A 25 -4.209 11.379 6.496 1.00 0.00 H new ATOM 0 HA THR A 25 -6.927 12.521 6.600 1.00 0.00 H new ATOM 0 HB THR A 25 -4.233 13.926 6.780 1.00 0.00 H new ATOM 0 HG1 THR A 25 -5.142 14.629 8.824 1.00 0.00 H new ATOM 0 HG21 THR A 25 -5.526 16.023 6.919 1.00 0.00 H new ATOM 0 HG22 THR A 25 -5.764 15.206 5.356 1.00 0.00 H new ATOM 0 HG23 THR A 25 -7.024 15.115 6.608 1.00 0.00 H new ATOM 283 N THR A 26 -6.722 13.541 4.228 1.00 0.00 N ATOM 284 CA THR A 26 -6.744 13.771 2.789 1.00 0.00 C ATOM 285 C THR A 26 -5.563 14.631 2.352 1.00 0.00 C ATOM 286 O THR A 26 -4.979 15.356 3.156 1.00 0.00 O ATOM 287 CB THR A 26 -8.052 14.455 2.350 1.00 0.00 C ATOM 288 OG1 THR A 26 -8.420 15.464 3.297 1.00 0.00 O ATOM 289 CG2 THR A 26 -9.177 13.439 2.222 1.00 0.00 C ATOM 0 H THR A 26 -7.474 14.001 4.740 1.00 0.00 H new ATOM 0 HA THR A 26 -6.675 12.794 2.311 1.00 0.00 H new ATOM 0 HB THR A 26 -7.886 14.915 1.376 1.00 0.00 H new ATOM 0 HG1 THR A 26 -8.921 16.173 2.842 1.00 0.00 H new ATOM 0 HG21 THR A 26 -10.091 13.945 1.911 1.00 0.00 H new ATOM 0 HG22 THR A 26 -8.907 12.689 1.479 1.00 0.00 H new ATOM 0 HG23 THR A 26 -9.341 12.954 3.184 1.00 0.00 H new ATOM 297 N GLY A 27 -5.216 14.545 1.071 1.00 0.00 N ATOM 298 CA GLY A 27 -4.107 15.321 0.550 1.00 0.00 C ATOM 299 C GLY A 27 -2.865 15.210 1.412 1.00 0.00 C ATOM 300 O GLY A 27 -2.031 16.115 1.433 1.00 0.00 O ATOM 0 H GLY A 27 -5.683 13.952 0.386 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -3.875 14.984 -0.460 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -4.403 16.368 0.477 1.00 0.00 H new ATOM 304 N VAL A 28 -2.742 14.097 2.129 1.00 0.00 N ATOM 305 CA VAL A 28 -1.593 13.871 2.998 1.00 0.00 C ATOM 306 C VAL A 28 -0.785 12.663 2.537 1.00 0.00 C ATOM 307 O VAL A 28 -1.163 11.518 2.788 1.00 0.00 O ATOM 308 CB VAL A 28 -2.030 13.656 4.459 1.00 0.00 C ATOM 309 CG1 VAL A 28 -0.825 13.352 5.337 1.00 0.00 C ATOM 310 CG2 VAL A 28 -2.782 14.873 4.975 1.00 0.00 C ATOM 0 H VAL A 28 -3.424 13.338 2.125 1.00 0.00 H new ATOM 0 HA VAL A 28 -0.970 14.764 2.940 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.703 12.799 4.496 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.153 13.203 6.366 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -0.332 12.448 4.979 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -0.125 14.187 5.296 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -3.083 14.703 6.009 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -2.135 15.749 4.925 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.668 15.040 4.362 1.00 0.00 H new ATOM 320 N SER A 29 0.329 12.926 1.863 1.00 0.00 N ATOM 321 CA SER A 29 1.190 11.860 1.364 1.00 0.00 C ATOM 322 C SER A 29 1.325 10.743 2.394 1.00 0.00 C ATOM 323 O SER A 29 2.072 10.865 3.364 1.00 0.00 O ATOM 324 CB SER A 29 2.573 12.414 1.013 1.00 0.00 C ATOM 325 OG SER A 29 3.117 13.151 2.095 1.00 0.00 O ATOM 0 H SER A 29 0.657 13.868 1.650 1.00 0.00 H new ATOM 0 HA SER A 29 0.732 11.448 0.465 1.00 0.00 H new ATOM 0 HB2 SER A 29 3.242 11.593 0.755 1.00 0.00 H new ATOM 0 HB3 SER A 29 2.499 13.054 0.134 1.00 0.00 H new ATOM 0 HG SER A 29 2.970 12.662 2.931 1.00 0.00 H new ATOM 331 N SER A 30 0.595 9.654 2.176 1.00 0.00 N ATOM 332 CA SER A 30 0.628 8.516 3.086 1.00 0.00 C ATOM 333 C SER A 30 1.570 7.433 2.568 1.00 0.00 C ATOM 334 O SER A 30 1.573 7.115 1.380 1.00 0.00 O ATOM 335 CB SER A 30 -0.777 7.940 3.268 1.00 0.00 C ATOM 336 OG SER A 30 -1.574 8.786 4.079 1.00 0.00 O ATOM 0 H SER A 30 -0.027 9.536 1.376 1.00 0.00 H new ATOM 0 HA SER A 30 0.998 8.865 4.050 1.00 0.00 H new ATOM 0 HB2 SER A 30 -1.250 7.813 2.294 1.00 0.00 H new ATOM 0 HB3 SER A 30 -0.712 6.951 3.722 1.00 0.00 H new ATOM 0 HG SER A 30 -1.526 9.704 3.740 1.00 0.00 H new ATOM 342 N GLU A 31 2.370 6.872 3.470 1.00 0.00 N ATOM 343 CA GLU A 31 3.317 5.826 3.105 1.00 0.00 C ATOM 344 C GLU A 31 3.416 4.772 4.204 1.00 0.00 C ATOM 345 O GLU A 31 3.200 5.064 5.381 1.00 0.00 O ATOM 346 CB GLU A 31 4.698 6.429 2.836 1.00 0.00 C ATOM 347 CG GLU A 31 5.805 5.393 2.734 1.00 0.00 C ATOM 348 CD GLU A 31 7.188 6.013 2.770 1.00 0.00 C ATOM 349 OE1 GLU A 31 7.698 6.387 1.693 1.00 0.00 O ATOM 350 OE2 GLU A 31 7.761 6.123 3.874 1.00 0.00 O ATOM 0 H GLU A 31 2.381 7.125 4.458 1.00 0.00 H new ATOM 0 HA GLU A 31 2.954 5.345 2.197 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.661 7.001 1.909 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.941 7.130 3.634 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.708 4.681 3.554 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.687 4.830 1.808 1.00 0.00 H new ATOM 357 N PHE A 32 3.743 3.545 3.812 1.00 0.00 N ATOM 358 CA PHE A 32 3.868 2.447 4.763 1.00 0.00 C ATOM 359 C PHE A 32 5.022 1.525 4.380 1.00 0.00 C ATOM 360 O PHE A 32 5.472 1.520 3.234 1.00 0.00 O ATOM 361 CB PHE A 32 2.564 1.650 4.829 1.00 0.00 C ATOM 362 CG PHE A 32 2.037 1.250 3.481 1.00 0.00 C ATOM 363 CD1 PHE A 32 2.452 0.071 2.882 1.00 0.00 C ATOM 364 CD2 PHE A 32 1.127 2.053 2.812 1.00 0.00 C ATOM 365 CE1 PHE A 32 1.969 -0.300 1.641 1.00 0.00 C ATOM 366 CE2 PHE A 32 0.640 1.686 1.571 1.00 0.00 C ATOM 367 CZ PHE A 32 1.062 0.509 0.985 1.00 0.00 C ATOM 0 H PHE A 32 3.926 3.286 2.843 1.00 0.00 H new ATOM 0 HA PHE A 32 4.076 2.872 5.745 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.725 0.754 5.428 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.809 2.245 5.343 1.00 0.00 H new ATOM 0 HD1 PHE A 32 3.161 -0.565 3.391 1.00 0.00 H new ATOM 0 HD2 PHE A 32 0.795 2.975 3.265 1.00 0.00 H new ATOM 0 HE1 PHE A 32 2.300 -1.221 1.185 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -0.070 2.320 1.060 1.00 0.00 H new ATOM 0 HZ PHE A 32 0.683 0.222 0.015 1.00 0.00 H new ATOM 377 N ILE A 33 5.496 0.747 5.347 1.00 0.00 N ATOM 378 CA ILE A 33 6.597 -0.179 5.111 1.00 0.00 C ATOM 379 C ILE A 33 6.114 -1.625 5.140 1.00 0.00 C ATOM 380 O ILE A 33 5.367 -2.024 6.034 1.00 0.00 O ATOM 381 CB ILE A 33 7.715 -0.002 6.155 1.00 0.00 C ATOM 382 CG1 ILE A 33 8.442 1.326 5.936 1.00 0.00 C ATOM 383 CG2 ILE A 33 8.693 -1.165 6.087 1.00 0.00 C ATOM 384 CD1 ILE A 33 9.580 1.560 6.905 1.00 0.00 C ATOM 0 H ILE A 33 5.135 0.739 6.301 1.00 0.00 H new ATOM 0 HA ILE A 33 6.995 0.049 4.122 1.00 0.00 H new ATOM 0 HB ILE A 33 7.265 0.011 7.148 1.00 0.00 H new ATOM 0 HG12 ILE A 33 8.831 1.354 4.918 1.00 0.00 H new ATOM 0 HG13 ILE A 33 7.725 2.142 6.026 1.00 0.00 H new ATOM 0 HG21 ILE A 33 9.477 -1.025 6.831 1.00 0.00 H new ATOM 0 HG22 ILE A 33 8.165 -2.097 6.288 1.00 0.00 H new ATOM 0 HG23 ILE A 33 9.139 -1.208 5.093 1.00 0.00 H new ATOM 0 HD11 ILE A 33 10.049 2.520 6.690 1.00 0.00 H new ATOM 0 HD12 ILE A 33 9.195 1.564 7.925 1.00 0.00 H new ATOM 0 HD13 ILE A 33 10.317 0.764 6.799 1.00 0.00 H new ATOM 396 N VAL A 34 6.548 -2.408 4.158 1.00 0.00 N ATOM 397 CA VAL A 34 6.163 -3.812 4.072 1.00 0.00 C ATOM 398 C VAL A 34 7.320 -4.724 4.464 1.00 0.00 C ATOM 399 O VAL A 34 8.247 -4.939 3.684 1.00 0.00 O ATOM 400 CB VAL A 34 5.693 -4.179 2.652 1.00 0.00 C ATOM 401 CG1 VAL A 34 5.306 -5.648 2.580 1.00 0.00 C ATOM 402 CG2 VAL A 34 4.532 -3.292 2.230 1.00 0.00 C ATOM 0 H VAL A 34 7.167 -2.094 3.410 1.00 0.00 H new ATOM 0 HA VAL A 34 5.337 -3.957 4.769 1.00 0.00 H new ATOM 0 HB VAL A 34 6.519 -4.012 1.960 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.977 -5.888 1.569 1.00 0.00 H new ATOM 0 HG12 VAL A 34 6.168 -6.264 2.837 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.496 -5.846 3.282 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.212 -3.565 1.224 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.702 -3.425 2.923 1.00 0.00 H new ATOM 0 HG23 VAL A 34 4.849 -2.249 2.240 1.00 0.00 H new ATOM 412 N ASN A 35 7.259 -5.259 5.679 1.00 0.00 N ATOM 413 CA ASN A 35 8.302 -6.149 6.176 1.00 0.00 C ATOM 414 C ASN A 35 8.279 -7.482 5.433 1.00 0.00 C ATOM 415 O ASN A 35 7.494 -8.373 5.758 1.00 0.00 O ATOM 416 CB ASN A 35 8.128 -6.386 7.677 1.00 0.00 C ATOM 417 CG ASN A 35 8.699 -7.717 8.123 1.00 0.00 C ATOM 418 OD1 ASN A 35 8.011 -8.738 8.106 1.00 0.00 O ATOM 419 ND2 ASN A 35 9.965 -7.713 8.526 1.00 0.00 N ATOM 0 H ASN A 35 6.498 -5.092 6.338 1.00 0.00 H new ATOM 0 HA ASN A 35 9.266 -5.671 6.000 1.00 0.00 H new ATOM 0 HB2 ASN A 35 8.616 -5.582 8.228 1.00 0.00 H new ATOM 0 HB3 ASN A 35 7.068 -6.346 7.928 1.00 0.00 H new ATOM 0 HD21 ASN A 35 10.404 -8.579 8.838 1.00 0.00 H new ATOM 0 HD22 ASN A 35 10.498 -6.843 8.524 1.00 0.00 H new ATOM 426 N THR A 36 9.147 -7.612 4.434 1.00 0.00 N ATOM 427 CA THR A 36 9.226 -8.834 3.645 1.00 0.00 C ATOM 428 C THR A 36 10.529 -9.579 3.915 1.00 0.00 C ATOM 429 O THR A 36 10.720 -10.705 3.452 1.00 0.00 O ATOM 430 CB THR A 36 9.120 -8.538 2.137 1.00 0.00 C ATOM 431 OG1 THR A 36 10.150 -7.623 1.745 1.00 0.00 O ATOM 432 CG2 THR A 36 7.758 -7.954 1.795 1.00 0.00 C ATOM 0 H THR A 36 9.805 -6.885 4.153 1.00 0.00 H new ATOM 0 HA THR A 36 8.384 -9.458 3.945 1.00 0.00 H new ATOM 0 HB THR A 36 9.242 -9.476 1.595 1.00 0.00 H new ATOM 0 HG1 THR A 36 10.400 -7.792 0.813 1.00 0.00 H new ATOM 0 HG21 THR A 36 7.707 -7.753 0.725 1.00 0.00 H new ATOM 0 HG22 THR A 36 6.978 -8.665 2.069 1.00 0.00 H new ATOM 0 HG23 THR A 36 7.612 -7.025 2.346 1.00 0.00 H new ATOM 440 N LEU A 37 11.422 -8.945 4.666 1.00 0.00 N ATOM 441 CA LEU A 37 12.708 -9.549 4.999 1.00 0.00 C ATOM 442 C LEU A 37 12.518 -10.931 5.615 1.00 0.00 C ATOM 443 O LEU A 37 13.112 -11.910 5.163 1.00 0.00 O ATOM 444 CB LEU A 37 13.481 -8.650 5.965 1.00 0.00 C ATOM 445 CG LEU A 37 13.658 -7.194 5.531 1.00 0.00 C ATOM 446 CD1 LEU A 37 13.916 -6.305 6.738 1.00 0.00 C ATOM 447 CD2 LEU A 37 14.793 -7.072 4.524 1.00 0.00 C ATOM 0 H LEU A 37 11.280 -8.013 5.056 1.00 0.00 H new ATOM 0 HA LEU A 37 13.279 -9.658 4.077 1.00 0.00 H new ATOM 0 HB2 LEU A 37 12.971 -8.662 6.928 1.00 0.00 H new ATOM 0 HB3 LEU A 37 14.468 -9.084 6.122 1.00 0.00 H new ATOM 0 HG LEU A 37 12.737 -6.863 5.052 1.00 0.00 H new ATOM 0 HD11 LEU A 37 14.039 -5.273 6.410 1.00 0.00 H new ATOM 0 HD12 LEU A 37 13.072 -6.369 7.424 1.00 0.00 H new ATOM 0 HD13 LEU A 37 14.822 -6.635 7.246 1.00 0.00 H new ATOM 0 HD21 LEU A 37 14.905 -6.029 4.226 1.00 0.00 H new ATOM 0 HD22 LEU A 37 15.721 -7.421 4.977 1.00 0.00 H new ATOM 0 HD23 LEU A 37 14.567 -7.678 3.646 1.00 0.00 H new ATOM 459 N ASN A 38 11.684 -11.004 6.647 1.00 0.00 N ATOM 460 CA ASN A 38 11.414 -12.267 7.324 1.00 0.00 C ATOM 461 C ASN A 38 11.093 -13.366 6.316 1.00 0.00 C ATOM 462 O ASN A 38 11.406 -14.536 6.538 1.00 0.00 O ATOM 463 CB ASN A 38 10.252 -12.105 8.306 1.00 0.00 C ATOM 464 CG ASN A 38 10.715 -11.663 9.681 1.00 0.00 C ATOM 465 OD1 ASN A 38 10.261 -12.187 10.699 1.00 0.00 O ATOM 466 ND2 ASN A 38 11.622 -10.695 9.717 1.00 0.00 N ATOM 0 H ASN A 38 11.183 -10.203 7.033 1.00 0.00 H new ATOM 0 HA ASN A 38 12.309 -12.554 7.875 1.00 0.00 H new ATOM 0 HB2 ASN A 38 9.545 -11.375 7.911 1.00 0.00 H new ATOM 0 HB3 ASN A 38 9.718 -13.051 8.392 1.00 0.00 H new ATOM 0 HD21 ASN A 38 11.971 -10.356 10.614 1.00 0.00 H new ATOM 0 HD22 ASN A 38 11.970 -10.290 8.848 1.00 0.00 H new ATOM 473 N ALA A 39 10.466 -12.982 5.209 1.00 0.00 N ATOM 474 CA ALA A 39 10.105 -13.934 4.166 1.00 0.00 C ATOM 475 C ALA A 39 11.348 -14.534 3.516 1.00 0.00 C ATOM 476 O ALA A 39 11.495 -15.753 3.442 1.00 0.00 O ATOM 477 CB ALA A 39 9.231 -13.262 3.118 1.00 0.00 C ATOM 0 H ALA A 39 10.197 -12.018 5.011 1.00 0.00 H new ATOM 0 HA ALA A 39 9.541 -14.745 4.628 1.00 0.00 H new ATOM 0 HB1 ALA A 39 8.969 -13.985 2.345 1.00 0.00 H new ATOM 0 HB2 ALA A 39 8.322 -12.888 3.588 1.00 0.00 H new ATOM 0 HB3 ALA A 39 9.775 -12.431 2.669 1.00 0.00 H new ATOM 483 N GLY A 40 12.240 -13.668 3.044 1.00 0.00 N ATOM 484 CA GLY A 40 13.458 -14.131 2.405 1.00 0.00 C ATOM 485 C GLY A 40 13.587 -13.638 0.978 1.00 0.00 C ATOM 486 O GLY A 40 14.532 -12.922 0.645 1.00 0.00 O ATOM 0 H GLY A 40 12.141 -12.654 3.093 1.00 0.00 H new ATOM 0 HA2 GLY A 40 14.319 -13.793 2.982 1.00 0.00 H new ATOM 0 HA3 GLY A 40 13.477 -15.221 2.413 1.00 0.00 H new ATOM 490 N SER A 41 12.637 -14.022 0.132 1.00 0.00 N ATOM 491 CA SER A 41 12.652 -13.618 -1.269 1.00 0.00 C ATOM 492 C SER A 41 11.288 -13.843 -1.914 1.00 0.00 C ATOM 493 O SER A 41 10.550 -14.751 -1.532 1.00 0.00 O ATOM 494 CB SER A 41 13.725 -14.395 -2.034 1.00 0.00 C ATOM 495 OG SER A 41 13.448 -15.785 -2.032 1.00 0.00 O ATOM 0 H SER A 41 11.847 -14.612 0.392 1.00 0.00 H new ATOM 0 HA SER A 41 12.884 -12.554 -1.312 1.00 0.00 H new ATOM 0 HB2 SER A 41 13.778 -14.033 -3.061 1.00 0.00 H new ATOM 0 HB3 SER A 41 14.700 -14.215 -1.582 1.00 0.00 H new ATOM 0 HG SER A 41 14.147 -16.259 -2.529 1.00 0.00 H new ATOM 501 N GLY A 42 10.960 -13.009 -2.896 1.00 0.00 N ATOM 502 CA GLY A 42 9.685 -13.133 -3.580 1.00 0.00 C ATOM 503 C GLY A 42 9.198 -11.812 -4.142 1.00 0.00 C ATOM 504 O GLY A 42 9.753 -10.757 -3.836 1.00 0.00 O ATOM 0 H GLY A 42 11.554 -12.250 -3.230 1.00 0.00 H new ATOM 0 HA2 GLY A 42 9.780 -13.856 -4.390 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.941 -13.526 -2.887 1.00 0.00 H new ATOM 508 N ALA A 43 8.159 -11.870 -4.969 1.00 0.00 N ATOM 509 CA ALA A 43 7.598 -10.669 -5.575 1.00 0.00 C ATOM 510 C ALA A 43 6.552 -10.033 -4.666 1.00 0.00 C ATOM 511 O ALA A 43 6.045 -10.672 -3.743 1.00 0.00 O ATOM 512 CB ALA A 43 6.992 -10.997 -6.931 1.00 0.00 C ATOM 0 H ALA A 43 7.689 -12.736 -5.234 1.00 0.00 H new ATOM 0 HA ALA A 43 8.406 -9.950 -5.714 1.00 0.00 H new ATOM 0 HB1 ALA A 43 6.577 -10.091 -7.373 1.00 0.00 H new ATOM 0 HB2 ALA A 43 7.764 -11.399 -7.587 1.00 0.00 H new ATOM 0 HB3 ALA A 43 6.200 -11.736 -6.807 1.00 0.00 H new ATOM 518 N LEU A 44 6.234 -8.771 -4.931 1.00 0.00 N ATOM 519 CA LEU A 44 5.248 -8.047 -4.136 1.00 0.00 C ATOM 520 C LEU A 44 4.279 -7.283 -5.033 1.00 0.00 C ATOM 521 O LEU A 44 4.672 -6.735 -6.063 1.00 0.00 O ATOM 522 CB LEU A 44 5.946 -7.079 -3.180 1.00 0.00 C ATOM 523 CG LEU A 44 5.044 -6.068 -2.471 1.00 0.00 C ATOM 524 CD1 LEU A 44 4.305 -6.730 -1.318 1.00 0.00 C ATOM 525 CD2 LEU A 44 5.859 -4.883 -1.974 1.00 0.00 C ATOM 0 H LEU A 44 6.645 -8.228 -5.690 1.00 0.00 H new ATOM 0 HA LEU A 44 4.680 -8.775 -3.556 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.470 -7.662 -2.423 1.00 0.00 H new ATOM 0 HB3 LEU A 44 6.703 -6.530 -3.740 1.00 0.00 H new ATOM 0 HG LEU A 44 4.307 -5.702 -3.186 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.668 -5.996 -0.825 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.691 -7.545 -1.700 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.026 -7.124 -0.602 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.201 -4.174 -1.472 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.618 -5.232 -1.274 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.342 -4.394 -2.820 1.00 0.00 H new ATOM 537 N SER A 45 3.012 -7.249 -4.634 1.00 0.00 N ATOM 538 CA SER A 45 1.986 -6.554 -5.403 1.00 0.00 C ATOM 539 C SER A 45 1.172 -5.625 -4.507 1.00 0.00 C ATOM 540 O SER A 45 0.406 -6.078 -3.657 1.00 0.00 O ATOM 541 CB SER A 45 1.061 -7.562 -6.087 1.00 0.00 C ATOM 542 OG SER A 45 1.657 -8.086 -7.261 1.00 0.00 O ATOM 0 H SER A 45 2.671 -7.695 -3.782 1.00 0.00 H new ATOM 0 HA SER A 45 2.482 -5.953 -6.165 1.00 0.00 H new ATOM 0 HB2 SER A 45 0.831 -8.375 -5.398 1.00 0.00 H new ATOM 0 HB3 SER A 45 0.116 -7.081 -6.339 1.00 0.00 H new ATOM 0 HG SER A 45 1.047 -8.729 -7.679 1.00 0.00 H new ATOM 548 N VAL A 46 1.345 -4.322 -4.704 1.00 0.00 N ATOM 549 CA VAL A 46 0.626 -3.328 -3.916 1.00 0.00 C ATOM 550 C VAL A 46 -0.269 -2.468 -4.800 1.00 0.00 C ATOM 551 O VAL A 46 0.172 -1.935 -5.820 1.00 0.00 O ATOM 552 CB VAL A 46 1.597 -2.414 -3.145 1.00 0.00 C ATOM 553 CG1 VAL A 46 0.829 -1.382 -2.334 1.00 0.00 C ATOM 554 CG2 VAL A 46 2.506 -3.241 -2.247 1.00 0.00 C ATOM 0 H VAL A 46 1.977 -3.930 -5.402 1.00 0.00 H new ATOM 0 HA VAL A 46 0.009 -3.875 -3.203 1.00 0.00 H new ATOM 0 HB VAL A 46 2.220 -1.884 -3.866 1.00 0.00 H new ATOM 0 HG11 VAL A 46 1.532 -0.746 -1.796 1.00 0.00 H new ATOM 0 HG12 VAL A 46 0.224 -0.770 -3.003 1.00 0.00 H new ATOM 0 HG13 VAL A 46 0.180 -1.890 -1.620 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.186 -2.580 -1.710 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.901 -3.799 -1.532 1.00 0.00 H new ATOM 0 HG23 VAL A 46 3.083 -3.937 -2.856 1.00 0.00 H new ATOM 564 N THR A 47 -1.531 -2.334 -4.404 1.00 0.00 N ATOM 565 CA THR A 47 -2.490 -1.539 -5.161 1.00 0.00 C ATOM 566 C THR A 47 -3.418 -0.765 -4.231 1.00 0.00 C ATOM 567 O THR A 47 -3.434 -0.997 -3.022 1.00 0.00 O ATOM 568 CB THR A 47 -3.338 -2.422 -6.095 1.00 0.00 C ATOM 569 OG1 THR A 47 -4.553 -1.746 -6.440 1.00 0.00 O ATOM 570 CG2 THR A 47 -3.663 -3.753 -5.435 1.00 0.00 C ATOM 0 H THR A 47 -1.913 -2.766 -3.563 1.00 0.00 H new ATOM 0 HA THR A 47 -1.913 -0.836 -5.762 1.00 0.00 H new ATOM 0 HB THR A 47 -2.760 -2.614 -6.999 1.00 0.00 H new ATOM 0 HG1 THR A 47 -5.085 -2.314 -7.035 1.00 0.00 H new ATOM 0 HG21 THR A 47 -4.263 -4.359 -6.114 1.00 0.00 H new ATOM 0 HG22 THR A 47 -2.737 -4.279 -5.201 1.00 0.00 H new ATOM 0 HG23 THR A 47 -4.222 -3.577 -4.516 1.00 0.00 H new ATOM 578 N ILE A 48 -4.188 0.154 -4.803 1.00 0.00 N ATOM 579 CA ILE A 48 -5.120 0.960 -4.024 1.00 0.00 C ATOM 580 C ILE A 48 -6.480 1.045 -4.710 1.00 0.00 C ATOM 581 O ILE A 48 -6.564 1.146 -5.934 1.00 0.00 O ATOM 582 CB ILE A 48 -4.581 2.385 -3.801 1.00 0.00 C ATOM 583 CG1 ILE A 48 -3.242 2.337 -3.061 1.00 0.00 C ATOM 584 CG2 ILE A 48 -5.591 3.219 -3.026 1.00 0.00 C ATOM 585 CD1 ILE A 48 -2.543 3.677 -2.988 1.00 0.00 C ATOM 0 H ILE A 48 -4.185 0.359 -5.802 1.00 0.00 H new ATOM 0 HA ILE A 48 -5.233 0.467 -3.058 1.00 0.00 H new ATOM 0 HB ILE A 48 -4.422 2.853 -4.772 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -3.408 1.968 -2.049 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -2.587 1.621 -3.558 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -5.195 4.224 -2.877 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -6.523 3.276 -3.588 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -5.779 2.755 -2.058 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -1.601 3.567 -2.450 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -2.345 4.039 -3.997 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -3.179 4.391 -2.464 1.00 0.00 H new ATOM 597 N ASP A 49 -7.541 1.005 -3.912 1.00 0.00 N ATOM 598 CA ASP A 49 -8.898 1.080 -4.442 1.00 0.00 C ATOM 599 C ASP A 49 -9.786 1.934 -3.542 1.00 0.00 C ATOM 600 O ASP A 49 -10.195 1.501 -2.466 1.00 0.00 O ATOM 601 CB ASP A 49 -9.492 -0.323 -4.582 1.00 0.00 C ATOM 602 CG ASP A 49 -10.500 -0.414 -5.711 1.00 0.00 C ATOM 603 OD1 ASP A 49 -10.081 -0.362 -6.886 1.00 0.00 O ATOM 604 OD2 ASP A 49 -11.707 -0.539 -5.419 1.00 0.00 O ATOM 0 H ASP A 49 -7.488 0.921 -2.897 1.00 0.00 H new ATOM 0 HA ASP A 49 -8.852 1.547 -5.426 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -8.689 -1.039 -4.757 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -9.973 -0.606 -3.646 1.00 0.00 H new ATOM 609 N GLY A 50 -10.078 3.151 -3.991 1.00 0.00 N ATOM 610 CA GLY A 50 -10.914 4.047 -3.214 1.00 0.00 C ATOM 611 C GLY A 50 -11.907 4.805 -4.073 1.00 0.00 C ATOM 612 O GLY A 50 -12.124 4.482 -5.241 1.00 0.00 O ATOM 0 H GLY A 50 -9.751 3.532 -4.879 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -11.454 3.473 -2.461 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -10.282 4.758 -2.681 1.00 0.00 H new ATOM 616 N PRO A 51 -12.531 5.839 -3.490 1.00 0.00 N ATOM 617 CA PRO A 51 -13.517 6.666 -4.192 1.00 0.00 C ATOM 618 C PRO A 51 -12.883 7.533 -5.274 1.00 0.00 C ATOM 619 O PRO A 51 -13.575 8.063 -6.143 1.00 0.00 O ATOM 620 CB PRO A 51 -14.102 7.542 -3.080 1.00 0.00 C ATOM 621 CG PRO A 51 -13.031 7.607 -2.047 1.00 0.00 C ATOM 622 CD PRO A 51 -12.322 6.282 -2.101 1.00 0.00 C ATOM 0 HA PRO A 51 -14.259 6.060 -4.712 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -14.356 8.535 -3.450 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -15.017 7.110 -2.675 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -12.342 8.427 -2.250 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -13.453 7.784 -1.058 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -11.262 6.384 -1.867 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -12.740 5.573 -1.386 1.00 0.00 H new ATOM 630 N SER A 52 -11.562 7.671 -5.216 1.00 0.00 N ATOM 631 CA SER A 52 -10.834 8.476 -6.190 1.00 0.00 C ATOM 632 C SER A 52 -9.406 7.966 -6.358 1.00 0.00 C ATOM 633 O SER A 52 -8.600 8.024 -5.429 1.00 0.00 O ATOM 634 CB SER A 52 -10.816 9.944 -5.758 1.00 0.00 C ATOM 635 OG SER A 52 -12.132 10.442 -5.589 1.00 0.00 O ATOM 0 H SER A 52 -10.974 7.236 -4.505 1.00 0.00 H new ATOM 0 HA SER A 52 -11.346 8.393 -7.149 1.00 0.00 H new ATOM 0 HB2 SER A 52 -10.263 10.045 -4.824 1.00 0.00 H new ATOM 0 HB3 SER A 52 -10.291 10.540 -6.505 1.00 0.00 H new ATOM 0 HG SER A 52 -12.093 11.381 -5.311 1.00 0.00 H new ATOM 641 N LYS A 53 -9.100 7.465 -7.550 1.00 0.00 N ATOM 642 CA LYS A 53 -7.770 6.945 -7.843 1.00 0.00 C ATOM 643 C LYS A 53 -6.694 7.792 -7.171 1.00 0.00 C ATOM 644 O LYS A 53 -6.802 9.017 -7.109 1.00 0.00 O ATOM 645 CB LYS A 53 -7.535 6.911 -9.355 1.00 0.00 C ATOM 646 CG LYS A 53 -6.548 5.843 -9.793 1.00 0.00 C ATOM 647 CD LYS A 53 -7.227 4.496 -9.976 1.00 0.00 C ATOM 648 CE LYS A 53 -8.012 4.440 -11.277 1.00 0.00 C ATOM 649 NZ LYS A 53 -7.120 4.508 -12.467 1.00 0.00 N ATOM 0 H LYS A 53 -9.756 7.408 -8.329 1.00 0.00 H new ATOM 0 HA LYS A 53 -7.709 5.931 -7.448 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -8.487 6.743 -9.859 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -7.171 7.886 -9.680 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -6.077 6.144 -10.729 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -5.755 5.753 -9.051 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -6.477 3.705 -9.968 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -7.897 4.308 -9.137 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -8.593 3.518 -11.311 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -8.722 5.266 -11.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -7.622 4.136 -13.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -6.848 5.497 -12.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -6.267 3.939 -12.294 1.00 0.00 H new ATOM 663 N VAL A 54 -5.656 7.131 -6.668 1.00 0.00 N ATOM 664 CA VAL A 54 -4.559 7.824 -6.002 1.00 0.00 C ATOM 665 C VAL A 54 -3.219 7.467 -6.635 1.00 0.00 C ATOM 666 O VAL A 54 -2.941 6.298 -6.905 1.00 0.00 O ATOM 667 CB VAL A 54 -4.511 7.485 -4.500 1.00 0.00 C ATOM 668 CG1 VAL A 54 -5.800 7.912 -3.815 1.00 0.00 C ATOM 669 CG2 VAL A 54 -4.257 5.999 -4.297 1.00 0.00 C ATOM 0 H VAL A 54 -5.552 6.117 -6.709 1.00 0.00 H new ATOM 0 HA VAL A 54 -4.741 8.892 -6.121 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.687 8.036 -4.047 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -5.748 7.665 -2.755 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -5.934 8.988 -3.930 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -6.643 7.390 -4.268 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -4.226 5.778 -3.230 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.058 5.426 -4.764 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -3.304 5.727 -4.752 1.00 0.00 H new ATOM 679 N GLN A 55 -2.392 8.481 -6.870 1.00 0.00 N ATOM 680 CA GLN A 55 -1.081 8.273 -7.471 1.00 0.00 C ATOM 681 C GLN A 55 -0.115 7.646 -6.471 1.00 0.00 C ATOM 682 O GLN A 55 0.462 8.339 -5.632 1.00 0.00 O ATOM 683 CB GLN A 55 -0.514 9.600 -7.981 1.00 0.00 C ATOM 684 CG GLN A 55 0.570 9.434 -9.034 1.00 0.00 C ATOM 685 CD GLN A 55 1.301 10.729 -9.327 1.00 0.00 C ATOM 686 OE1 GLN A 55 0.779 11.818 -9.087 1.00 0.00 O ATOM 687 NE2 GLN A 55 2.516 10.618 -9.850 1.00 0.00 N ATOM 0 H GLN A 55 -2.607 9.454 -6.653 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.200 7.589 -8.311 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -1.326 10.196 -8.398 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -0.108 10.160 -7.138 1.00 0.00 H new ATOM 0 HG2 GLN A 55 1.287 8.685 -8.698 1.00 0.00 H new ATOM 0 HG3 GLN A 55 0.123 9.057 -9.954 1.00 0.00 H new ATOM 0 HE21 GLN A 55 2.910 9.695 -10.033 1.00 0.00 H new ATOM 0 HE22 GLN A 55 3.055 11.456 -10.069 1.00 0.00 H new ATOM 696 N LEU A 56 0.054 6.332 -6.564 1.00 0.00 N ATOM 697 CA LEU A 56 0.950 5.610 -5.667 1.00 0.00 C ATOM 698 C LEU A 56 2.334 5.454 -6.288 1.00 0.00 C ATOM 699 O LEU A 56 2.489 5.525 -7.507 1.00 0.00 O ATOM 700 CB LEU A 56 0.370 4.235 -5.333 1.00 0.00 C ATOM 701 CG LEU A 56 0.628 3.131 -6.358 1.00 0.00 C ATOM 702 CD1 LEU A 56 1.938 2.419 -6.058 1.00 0.00 C ATOM 703 CD2 LEU A 56 -0.527 2.139 -6.377 1.00 0.00 C ATOM 0 H LEU A 56 -0.418 5.744 -7.252 1.00 0.00 H new ATOM 0 HA LEU A 56 1.048 6.189 -4.749 1.00 0.00 H new ATOM 0 HB2 LEU A 56 0.776 3.915 -4.374 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.707 4.339 -5.204 1.00 0.00 H new ATOM 0 HG LEU A 56 0.704 3.589 -7.344 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.105 1.636 -6.798 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.759 3.135 -6.096 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.891 1.974 -5.064 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.326 1.360 -7.113 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.635 1.687 -5.391 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.448 2.658 -6.641 1.00 0.00 H new ATOM 715 N ASP A 57 3.335 5.238 -5.443 1.00 0.00 N ATOM 716 CA ASP A 57 4.707 5.067 -5.909 1.00 0.00 C ATOM 717 C ASP A 57 5.441 4.027 -5.069 1.00 0.00 C ATOM 718 O ASP A 57 5.515 4.143 -3.845 1.00 0.00 O ATOM 719 CB ASP A 57 5.454 6.401 -5.860 1.00 0.00 C ATOM 720 CG ASP A 57 6.585 6.468 -6.867 1.00 0.00 C ATOM 721 OD1 ASP A 57 6.301 6.418 -8.082 1.00 0.00 O ATOM 722 OD2 ASP A 57 7.755 6.570 -6.440 1.00 0.00 O ATOM 0 H ASP A 57 3.223 5.177 -4.431 1.00 0.00 H new ATOM 0 HA ASP A 57 4.674 4.716 -6.940 1.00 0.00 H new ATOM 0 HB2 ASP A 57 4.753 7.214 -6.050 1.00 0.00 H new ATOM 0 HB3 ASP A 57 5.854 6.553 -4.858 1.00 0.00 H new ATOM 727 N CYS A 58 5.980 3.011 -5.734 1.00 0.00 N ATOM 728 CA CYS A 58 6.707 1.949 -5.049 1.00 0.00 C ATOM 729 C CYS A 58 8.210 2.209 -5.081 1.00 0.00 C ATOM 730 O CYS A 58 8.791 2.418 -6.147 1.00 0.00 O ATOM 731 CB CYS A 58 6.398 0.595 -5.689 1.00 0.00 C ATOM 732 SG CYS A 58 6.519 -0.805 -4.552 1.00 0.00 S ATOM 0 H CYS A 58 5.927 2.901 -6.747 1.00 0.00 H new ATOM 0 HA CYS A 58 6.382 1.934 -4.009 1.00 0.00 H new ATOM 0 HB2 CYS A 58 5.392 0.624 -6.106 1.00 0.00 H new ATOM 0 HB3 CYS A 58 7.084 0.434 -6.521 1.00 0.00 H new ATOM 0 HG CYS A 58 6.238 -1.904 -5.186 1.00 0.00 H new ATOM 738 N ARG A 59 8.833 2.197 -3.908 1.00 0.00 N ATOM 739 CA ARG A 59 10.267 2.435 -3.802 1.00 0.00 C ATOM 740 C ARG A 59 10.941 1.338 -2.983 1.00 0.00 C ATOM 741 O ARG A 59 10.282 0.610 -2.242 1.00 0.00 O ATOM 742 CB ARG A 59 10.534 3.799 -3.163 1.00 0.00 C ATOM 743 CG ARG A 59 11.829 3.858 -2.370 1.00 0.00 C ATOM 744 CD ARG A 59 12.082 5.252 -1.817 1.00 0.00 C ATOM 745 NE ARG A 59 13.452 5.411 -1.337 1.00 0.00 N ATOM 746 CZ ARG A 59 13.875 6.472 -0.660 1.00 0.00 C ATOM 747 NH1 ARG A 59 13.038 7.463 -0.384 1.00 0.00 N ATOM 748 NH2 ARG A 59 15.137 6.544 -0.257 1.00 0.00 N ATOM 0 H ARG A 59 8.367 2.025 -3.017 1.00 0.00 H new ATOM 0 HA ARG A 59 10.686 2.424 -4.808 1.00 0.00 H new ATOM 0 HB2 ARG A 59 10.562 4.558 -3.945 1.00 0.00 H new ATOM 0 HB3 ARG A 59 9.703 4.051 -2.504 1.00 0.00 H new ATOM 0 HG2 ARG A 59 11.787 3.142 -1.549 1.00 0.00 H new ATOM 0 HG3 ARG A 59 12.661 3.562 -3.008 1.00 0.00 H new ATOM 0 HD2 ARG A 59 11.882 5.991 -2.593 1.00 0.00 H new ATOM 0 HD3 ARG A 59 11.387 5.450 -1.001 1.00 0.00 H new ATOM 0 HE ARG A 59 14.121 4.666 -1.533 1.00 0.00 H new ATOM 0 HH11 ARG A 59 12.067 7.411 -0.692 1.00 0.00 H new ATOM 0 HH12 ARG A 59 13.365 8.277 0.136 1.00 0.00 H new ATOM 0 HH21 ARG A 59 15.784 5.784 -0.467 1.00 0.00 H new ATOM 0 HH22 ARG A 59 15.461 7.360 0.263 1.00 0.00 H new ATOM 762 N GLU A 60 12.258 1.225 -3.124 1.00 0.00 N ATOM 763 CA GLU A 60 13.021 0.216 -2.399 1.00 0.00 C ATOM 764 C GLU A 60 13.348 0.692 -0.987 1.00 0.00 C ATOM 765 O GLU A 60 13.539 1.886 -0.751 1.00 0.00 O ATOM 766 CB GLU A 60 14.312 -0.116 -3.149 1.00 0.00 C ATOM 767 CG GLU A 60 15.450 0.849 -2.860 1.00 0.00 C ATOM 768 CD GLU A 60 16.265 0.443 -1.648 1.00 0.00 C ATOM 769 OE1 GLU A 60 16.631 -0.747 -1.551 1.00 0.00 O ATOM 770 OE2 GLU A 60 16.538 1.315 -0.796 1.00 0.00 O ATOM 0 H GLU A 60 12.819 1.820 -3.734 1.00 0.00 H new ATOM 0 HA GLU A 60 12.409 -0.683 -2.328 1.00 0.00 H new ATOM 0 HB2 GLU A 60 14.627 -1.125 -2.884 1.00 0.00 H new ATOM 0 HB3 GLU A 60 14.110 -0.116 -4.220 1.00 0.00 H new ATOM 0 HG2 GLU A 60 16.104 0.905 -3.730 1.00 0.00 H new ATOM 0 HG3 GLU A 60 15.043 1.848 -2.702 1.00 0.00 H new ATOM 777 N CYS A 61 13.409 -0.249 -0.051 1.00 0.00 N ATOM 778 CA CYS A 61 13.711 0.073 1.339 1.00 0.00 C ATOM 779 C CYS A 61 14.429 -1.086 2.022 1.00 0.00 C ATOM 780 O CYS A 61 14.266 -2.251 1.658 1.00 0.00 O ATOM 781 CB CYS A 61 12.426 0.411 2.097 1.00 0.00 C ATOM 782 SG CYS A 61 11.126 -0.836 1.938 1.00 0.00 S ATOM 0 H CYS A 61 13.253 -1.241 -0.230 1.00 0.00 H new ATOM 0 HA CYS A 61 14.370 0.941 1.350 1.00 0.00 H new ATOM 0 HB2 CYS A 61 12.663 0.541 3.153 1.00 0.00 H new ATOM 0 HB3 CYS A 61 12.045 1.366 1.736 1.00 0.00 H new ATOM 0 HG CYS A 61 10.167 -0.573 2.776 1.00 0.00 H new ATOM 788 N PRO A 62 15.246 -0.761 3.036 1.00 0.00 N ATOM 789 CA PRO A 62 16.007 -1.761 3.790 1.00 0.00 C ATOM 790 C PRO A 62 15.111 -2.635 4.662 1.00 0.00 C ATOM 791 O PRO A 62 15.572 -3.601 5.268 1.00 0.00 O ATOM 792 CB PRO A 62 16.940 -0.915 4.660 1.00 0.00 C ATOM 793 CG PRO A 62 16.238 0.391 4.809 1.00 0.00 C ATOM 794 CD PRO A 62 15.489 0.607 3.523 1.00 0.00 C ATOM 0 HA PRO A 62 16.529 -2.457 3.133 1.00 0.00 H new ATOM 0 HB2 PRO A 62 17.112 -1.385 5.628 1.00 0.00 H new ATOM 0 HB3 PRO A 62 17.915 -0.789 4.189 1.00 0.00 H new ATOM 0 HG2 PRO A 62 15.556 0.373 5.659 1.00 0.00 H new ATOM 0 HG3 PRO A 62 16.949 1.198 4.987 1.00 0.00 H new ATOM 0 HD2 PRO A 62 14.556 1.147 3.687 1.00 0.00 H new ATOM 0 HD3 PRO A 62 16.073 1.189 2.811 1.00 0.00 H new ATOM 802 N GLU A 63 13.829 -2.287 4.721 1.00 0.00 N ATOM 803 CA GLU A 63 12.870 -3.040 5.520 1.00 0.00 C ATOM 804 C GLU A 63 12.104 -4.036 4.654 1.00 0.00 C ATOM 805 O GLU A 63 11.501 -4.981 5.162 1.00 0.00 O ATOM 806 CB GLU A 63 11.890 -2.089 6.211 1.00 0.00 C ATOM 807 CG GLU A 63 12.525 -1.255 7.311 1.00 0.00 C ATOM 808 CD GLU A 63 13.223 -0.019 6.776 1.00 0.00 C ATOM 809 OE1 GLU A 63 12.902 0.402 5.645 1.00 0.00 O ATOM 810 OE2 GLU A 63 14.091 0.527 7.489 1.00 0.00 O ATOM 0 H GLU A 63 13.431 -1.489 4.225 1.00 0.00 H new ATOM 0 HA GLU A 63 13.423 -3.594 6.278 1.00 0.00 H new ATOM 0 HB2 GLU A 63 11.457 -1.422 5.465 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.070 -2.670 6.634 1.00 0.00 H new ATOM 0 HG2 GLU A 63 11.757 -0.954 8.023 1.00 0.00 H new ATOM 0 HG3 GLU A 63 13.244 -1.866 7.857 1.00 0.00 H new ATOM 817 N GLY A 64 12.133 -3.817 3.343 1.00 0.00 N ATOM 818 CA GLY A 64 11.438 -4.702 2.427 1.00 0.00 C ATOM 819 C GLY A 64 10.892 -3.972 1.216 1.00 0.00 C ATOM 820 O GLY A 64 11.483 -4.016 0.137 1.00 0.00 O ATOM 0 H GLY A 64 12.626 -3.042 2.899 1.00 0.00 H new ATOM 0 HA2 GLY A 64 12.119 -5.486 2.098 1.00 0.00 H new ATOM 0 HA3 GLY A 64 10.618 -5.192 2.952 1.00 0.00 H new ATOM 824 N HIS A 65 9.760 -3.299 1.394 1.00 0.00 N ATOM 825 CA HIS A 65 9.133 -2.556 0.306 1.00 0.00 C ATOM 826 C HIS A 65 8.303 -1.396 0.848 1.00 0.00 C ATOM 827 O HIS A 65 7.492 -1.571 1.758 1.00 0.00 O ATOM 828 CB HIS A 65 8.251 -3.483 -0.531 1.00 0.00 C ATOM 829 CG HIS A 65 9.027 -4.431 -1.392 1.00 0.00 C ATOM 830 ND1 HIS A 65 9.578 -5.635 -1.110 1.00 0.00 N flip ATOM 831 CD2 HIS A 65 9.314 -4.181 -2.718 1.00 0.00 C flip ATOM 832 CE1 HIS A 65 10.181 -6.086 -2.259 1.00 0.00 C flip ATOM 833 NE2 HIS A 65 10.006 -5.190 -3.214 1.00 0.00 N flip ATOM 0 H HIS A 65 9.258 -3.253 2.281 1.00 0.00 H new ATOM 0 HA HIS A 65 9.923 -2.150 -0.326 1.00 0.00 H new ATOM 0 HB2 HIS A 65 7.605 -4.055 0.135 1.00 0.00 H new ATOM 0 HB3 HIS A 65 7.601 -2.879 -1.164 1.00 0.00 H new ATOM 0 HD2 HIS A 65 9.019 -3.298 -3.265 1.00 0.00 H new ATOM 0 HE1 HIS A 65 10.712 -7.021 -2.364 1.00 0.00 H new ATOM 0 HE2 HIS A 65 10.348 -5.265 -4.172 1.00 0.00 H new ATOM 842 N VAL A 66 8.511 -0.211 0.283 1.00 0.00 N ATOM 843 CA VAL A 66 7.781 0.977 0.709 1.00 0.00 C ATOM 844 C VAL A 66 6.984 1.575 -0.445 1.00 0.00 C ATOM 845 O VAL A 66 7.418 1.544 -1.596 1.00 0.00 O ATOM 846 CB VAL A 66 8.734 2.050 1.270 1.00 0.00 C ATOM 847 CG1 VAL A 66 9.452 2.771 0.139 1.00 0.00 C ATOM 848 CG2 VAL A 66 7.972 3.035 2.143 1.00 0.00 C ATOM 0 H VAL A 66 9.179 -0.048 -0.471 1.00 0.00 H new ATOM 0 HA VAL A 66 7.096 0.662 1.496 1.00 0.00 H new ATOM 0 HB VAL A 66 9.484 1.557 1.888 1.00 0.00 H new ATOM 0 HG11 VAL A 66 10.121 3.525 0.555 1.00 0.00 H new ATOM 0 HG12 VAL A 66 10.031 2.052 -0.441 1.00 0.00 H new ATOM 0 HG13 VAL A 66 8.719 3.253 -0.508 1.00 0.00 H new ATOM 0 HG21 VAL A 66 8.661 3.786 2.531 1.00 0.00 H new ATOM 0 HG22 VAL A 66 7.199 3.524 1.550 1.00 0.00 H new ATOM 0 HG23 VAL A 66 7.510 2.503 2.974 1.00 0.00 H new ATOM 858 N VAL A 67 5.814 2.121 -0.128 1.00 0.00 N ATOM 859 CA VAL A 67 4.955 2.729 -1.138 1.00 0.00 C ATOM 860 C VAL A 67 4.368 4.045 -0.640 1.00 0.00 C ATOM 861 O VAL A 67 3.943 4.153 0.511 1.00 0.00 O ATOM 862 CB VAL A 67 3.806 1.785 -1.538 1.00 0.00 C ATOM 863 CG1 VAL A 67 2.915 2.442 -2.582 1.00 0.00 C ATOM 864 CG2 VAL A 67 4.357 0.463 -2.051 1.00 0.00 C ATOM 0 H VAL A 67 5.439 2.155 0.820 1.00 0.00 H new ATOM 0 HA VAL A 67 5.579 2.921 -2.011 1.00 0.00 H new ATOM 0 HB VAL A 67 3.201 1.582 -0.654 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.109 1.761 -2.853 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.493 3.360 -2.174 1.00 0.00 H new ATOM 0 HG13 VAL A 67 3.505 2.676 -3.468 1.00 0.00 H new ATOM 0 HG21 VAL A 67 3.531 -0.192 -2.329 1.00 0.00 H new ATOM 0 HG22 VAL A 67 4.986 0.645 -2.923 1.00 0.00 H new ATOM 0 HG23 VAL A 67 4.949 -0.012 -1.269 1.00 0.00 H new ATOM 874 N THR A 68 4.345 5.045 -1.515 1.00 0.00 N ATOM 875 CA THR A 68 3.810 6.355 -1.165 1.00 0.00 C ATOM 876 C THR A 68 2.628 6.722 -2.055 1.00 0.00 C ATOM 877 O THR A 68 2.680 6.553 -3.273 1.00 0.00 O ATOM 878 CB THR A 68 4.886 7.451 -1.282 1.00 0.00 C ATOM 879 OG1 THR A 68 6.105 7.008 -0.674 1.00 0.00 O ATOM 880 CG2 THR A 68 4.421 8.739 -0.619 1.00 0.00 C ATOM 0 H THR A 68 4.691 4.973 -2.472 1.00 0.00 H new ATOM 0 HA THR A 68 3.476 6.293 -0.129 1.00 0.00 H new ATOM 0 HB THR A 68 5.059 7.648 -2.340 1.00 0.00 H new ATOM 0 HG1 THR A 68 6.059 7.153 0.294 1.00 0.00 H new ATOM 0 HG21 THR A 68 5.197 9.498 -0.714 1.00 0.00 H new ATOM 0 HG22 THR A 68 3.510 9.089 -1.104 1.00 0.00 H new ATOM 0 HG23 THR A 68 4.222 8.554 0.437 1.00 0.00 H new ATOM 888 N TYR A 69 1.564 7.225 -1.439 1.00 0.00 N ATOM 889 CA TYR A 69 0.368 7.614 -2.177 1.00 0.00 C ATOM 890 C TYR A 69 -0.252 8.875 -1.582 1.00 0.00 C ATOM 891 O TYR A 69 0.104 9.297 -0.481 1.00 0.00 O ATOM 892 CB TYR A 69 -0.655 6.477 -2.168 1.00 0.00 C ATOM 893 CG TYR A 69 -1.378 6.322 -0.850 1.00 0.00 C ATOM 894 CD1 TYR A 69 -2.364 7.223 -0.466 1.00 0.00 C ATOM 895 CD2 TYR A 69 -1.075 5.276 0.013 1.00 0.00 C ATOM 896 CE1 TYR A 69 -3.027 7.087 0.738 1.00 0.00 C ATOM 897 CE2 TYR A 69 -1.734 5.131 1.219 1.00 0.00 C ATOM 898 CZ TYR A 69 -2.709 6.039 1.577 1.00 0.00 C ATOM 899 OH TYR A 69 -3.367 5.898 2.777 1.00 0.00 O ATOM 0 H TYR A 69 1.505 7.373 -0.431 1.00 0.00 H new ATOM 0 HA TYR A 69 0.659 7.824 -3.206 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -1.387 6.653 -2.956 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -0.148 5.542 -2.407 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -2.616 8.044 -1.121 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -0.311 4.564 -0.263 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -3.790 7.797 1.021 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -1.487 4.311 1.878 1.00 0.00 H new ATOM 0 HH TYR A 69 -3.080 5.068 3.212 1.00 0.00 H new ATOM 909 N THR A 70 -1.184 9.473 -2.318 1.00 0.00 N ATOM 910 CA THR A 70 -1.855 10.685 -1.866 1.00 0.00 C ATOM 911 C THR A 70 -3.358 10.601 -2.100 1.00 0.00 C ATOM 912 O THR A 70 -3.828 10.458 -3.229 1.00 0.00 O ATOM 913 CB THR A 70 -1.303 11.932 -2.582 1.00 0.00 C ATOM 914 OG1 THR A 70 0.100 12.062 -2.329 1.00 0.00 O ATOM 915 CG2 THR A 70 -2.026 13.187 -2.116 1.00 0.00 C ATOM 0 H THR A 70 -1.491 9.137 -3.231 1.00 0.00 H new ATOM 0 HA THR A 70 -1.662 10.774 -0.797 1.00 0.00 H new ATOM 0 HB THR A 70 -1.468 11.812 -3.653 1.00 0.00 H new ATOM 0 HG1 THR A 70 0.443 12.856 -2.789 1.00 0.00 H new ATOM 0 HG21 THR A 70 -1.619 14.055 -2.635 1.00 0.00 H new ATOM 0 HG22 THR A 70 -3.090 13.097 -2.337 1.00 0.00 H new ATOM 0 HG23 THR A 70 -1.888 13.309 -1.042 1.00 0.00 H new ATOM 923 N PRO A 71 -4.134 10.694 -1.010 1.00 0.00 N ATOM 924 CA PRO A 71 -5.597 10.633 -1.072 1.00 0.00 C ATOM 925 C PRO A 71 -6.202 11.869 -1.727 1.00 0.00 C ATOM 926 O PRO A 71 -5.765 12.992 -1.478 1.00 0.00 O ATOM 927 CB PRO A 71 -6.012 10.550 0.399 1.00 0.00 C ATOM 928 CG PRO A 71 -4.889 11.186 1.145 1.00 0.00 C ATOM 929 CD PRO A 71 -3.642 10.866 0.367 1.00 0.00 C ATOM 0 HA PRO A 71 -5.944 9.794 -1.675 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -6.952 11.074 0.576 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -6.160 9.516 0.711 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -5.034 12.263 1.224 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -4.826 10.797 2.161 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -2.909 11.670 0.434 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -3.158 9.962 0.737 1.00 0.00 H new ATOM 937 N MET A 72 -7.211 11.656 -2.566 1.00 0.00 N ATOM 938 CA MET A 72 -7.876 12.755 -3.256 1.00 0.00 C ATOM 939 C MET A 72 -9.225 13.063 -2.612 1.00 0.00 C ATOM 940 O MET A 72 -9.770 14.153 -2.785 1.00 0.00 O ATOM 941 CB MET A 72 -8.070 12.414 -4.735 1.00 0.00 C ATOM 942 CG MET A 72 -6.788 12.485 -5.548 1.00 0.00 C ATOM 943 SD MET A 72 -7.006 11.904 -7.241 1.00 0.00 S ATOM 944 CE MET A 72 -8.081 13.176 -7.899 1.00 0.00 C ATOM 0 H MET A 72 -7.586 10.733 -2.784 1.00 0.00 H new ATOM 0 HA MET A 72 -7.243 13.639 -3.175 1.00 0.00 H new ATOM 0 HB2 MET A 72 -8.487 11.410 -4.816 1.00 0.00 H new ATOM 0 HB3 MET A 72 -8.801 13.099 -5.164 1.00 0.00 H new ATOM 0 HG2 MET A 72 -6.429 13.514 -5.565 1.00 0.00 H new ATOM 0 HG3 MET A 72 -6.019 11.887 -5.059 1.00 0.00 H new ATOM 0 HE1 MET A 72 -8.136 13.080 -8.983 1.00 0.00 H new ATOM 0 HE2 MET A 72 -9.078 13.065 -7.474 1.00 0.00 H new ATOM 0 HE3 MET A 72 -7.683 14.158 -7.641 1.00 0.00 H new ATOM 954 N ALA A 73 -9.756 12.097 -1.870 1.00 0.00 N ATOM 955 CA ALA A 73 -11.039 12.267 -1.200 1.00 0.00 C ATOM 956 C ALA A 73 -11.108 11.431 0.074 1.00 0.00 C ATOM 957 O ALA A 73 -10.544 10.340 0.160 1.00 0.00 O ATOM 958 CB ALA A 73 -12.178 11.898 -2.139 1.00 0.00 C ATOM 0 H ALA A 73 -9.318 11.189 -1.718 1.00 0.00 H new ATOM 0 HA ALA A 73 -11.139 13.316 -0.921 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -13.130 12.030 -1.625 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -12.148 12.542 -3.018 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -12.073 10.858 -2.447 1.00 0.00 H new ATOM 964 N PRO A 74 -11.815 11.953 1.087 1.00 0.00 N ATOM 965 CA PRO A 74 -11.974 11.270 2.375 1.00 0.00 C ATOM 966 C PRO A 74 -12.856 10.031 2.269 1.00 0.00 C ATOM 967 O PRO A 74 -14.066 10.133 2.069 1.00 0.00 O ATOM 968 CB PRO A 74 -12.642 12.328 3.257 1.00 0.00 C ATOM 969 CG PRO A 74 -13.353 13.224 2.302 1.00 0.00 C ATOM 970 CD PRO A 74 -12.514 13.249 1.054 1.00 0.00 C ATOM 0 HA PRO A 74 -11.022 10.909 2.765 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -13.336 11.873 3.964 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -11.905 12.878 3.842 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -14.356 12.852 2.091 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -13.465 14.226 2.717 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -13.128 13.352 0.159 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -11.813 14.084 1.058 1.00 0.00 H new ATOM 978 N GLY A 75 -12.241 8.860 2.404 1.00 0.00 N ATOM 979 CA GLY A 75 -12.986 7.617 2.321 1.00 0.00 C ATOM 980 C GLY A 75 -12.162 6.417 2.746 1.00 0.00 C ATOM 981 O GLY A 75 -11.260 6.538 3.572 1.00 0.00 O ATOM 0 H GLY A 75 -11.241 8.750 2.569 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -13.873 7.686 2.951 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -13.332 7.472 1.298 1.00 0.00 H new ATOM 985 N ASN A 76 -12.475 5.256 2.180 1.00 0.00 N ATOM 986 CA ASN A 76 -11.759 4.029 2.507 1.00 0.00 C ATOM 987 C ASN A 76 -11.023 3.487 1.285 1.00 0.00 C ATOM 988 O ASN A 76 -11.643 3.005 0.337 1.00 0.00 O ATOM 989 CB ASN A 76 -12.729 2.974 3.041 1.00 0.00 C ATOM 990 CG ASN A 76 -13.873 2.702 2.083 1.00 0.00 C ATOM 991 OD1 ASN A 76 -13.806 1.786 1.263 1.00 0.00 O ATOM 992 ND2 ASN A 76 -14.930 3.499 2.182 1.00 0.00 N ATOM 0 H ASN A 76 -13.220 5.139 1.493 1.00 0.00 H new ATOM 0 HA ASN A 76 -11.025 4.261 3.279 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -12.187 2.047 3.227 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -13.131 3.306 3.998 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -15.730 3.365 1.563 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -14.942 4.246 2.877 1.00 0.00 H new ATOM 999 N TYR A 77 -9.697 3.570 1.315 1.00 0.00 N ATOM 1000 CA TYR A 77 -8.876 3.089 0.210 1.00 0.00 C ATOM 1001 C TYR A 77 -8.349 1.686 0.493 1.00 0.00 C ATOM 1002 O TYR A 77 -7.474 1.497 1.338 1.00 0.00 O ATOM 1003 CB TYR A 77 -7.708 4.045 -0.038 1.00 0.00 C ATOM 1004 CG TYR A 77 -8.136 5.414 -0.515 1.00 0.00 C ATOM 1005 CD1 TYR A 77 -8.444 6.422 0.390 1.00 0.00 C ATOM 1006 CD2 TYR A 77 -8.234 5.700 -1.871 1.00 0.00 C ATOM 1007 CE1 TYR A 77 -8.837 7.674 -0.041 1.00 0.00 C ATOM 1008 CE2 TYR A 77 -8.624 6.949 -2.312 1.00 0.00 C ATOM 1009 CZ TYR A 77 -8.924 7.933 -1.393 1.00 0.00 C ATOM 1010 OH TYR A 77 -9.315 9.179 -1.828 1.00 0.00 O ATOM 0 H TYR A 77 -9.168 3.966 2.092 1.00 0.00 H new ATOM 0 HA TYR A 77 -9.500 3.049 -0.683 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -7.136 4.153 0.884 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -7.040 3.604 -0.778 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -8.375 6.223 1.449 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -8.001 4.932 -2.593 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -9.075 8.446 0.676 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -8.694 7.154 -3.370 1.00 0.00 H new ATOM 0 HH TYR A 77 -10.017 9.526 -1.239 1.00 0.00 H new ATOM 1020 N LEU A 78 -8.888 0.704 -0.222 1.00 0.00 N ATOM 1021 CA LEU A 78 -8.472 -0.684 -0.050 1.00 0.00 C ATOM 1022 C LEU A 78 -7.071 -0.906 -0.610 1.00 0.00 C ATOM 1023 O LEU A 78 -6.844 -0.768 -1.812 1.00 0.00 O ATOM 1024 CB LEU A 78 -9.464 -1.623 -0.739 1.00 0.00 C ATOM 1025 CG LEU A 78 -9.393 -3.094 -0.327 1.00 0.00 C ATOM 1026 CD1 LEU A 78 -7.950 -3.574 -0.312 1.00 0.00 C ATOM 1027 CD2 LEU A 78 -10.040 -3.299 1.035 1.00 0.00 C ATOM 0 H LEU A 78 -9.613 0.843 -0.926 1.00 0.00 H new ATOM 0 HA LEU A 78 -8.455 -0.903 1.018 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -10.473 -1.260 -0.543 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -9.306 -1.560 -1.816 1.00 0.00 H new ATOM 0 HG LEU A 78 -9.943 -3.684 -1.060 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -7.918 -4.623 -0.017 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -7.520 -3.464 -1.307 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -7.376 -2.979 0.399 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -9.980 -4.352 1.312 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -9.518 -2.698 1.780 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -11.086 -2.995 0.991 1.00 0.00 H new ATOM 1039 N ILE A 79 -6.137 -1.253 0.269 1.00 0.00 N ATOM 1040 CA ILE A 79 -4.759 -1.498 -0.139 1.00 0.00 C ATOM 1041 C ILE A 79 -4.451 -2.991 -0.167 1.00 0.00 C ATOM 1042 O ILE A 79 -4.456 -3.656 0.869 1.00 0.00 O ATOM 1043 CB ILE A 79 -3.761 -0.797 0.801 1.00 0.00 C ATOM 1044 CG1 ILE A 79 -3.965 0.719 0.759 1.00 0.00 C ATOM 1045 CG2 ILE A 79 -2.332 -1.155 0.419 1.00 0.00 C ATOM 1046 CD1 ILE A 79 -3.363 1.443 1.943 1.00 0.00 C ATOM 0 H ILE A 79 -6.309 -1.371 1.267 1.00 0.00 H new ATOM 0 HA ILE A 79 -4.650 -1.088 -1.143 1.00 0.00 H new ATOM 0 HB ILE A 79 -3.941 -1.141 1.819 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -3.526 1.111 -0.158 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -5.033 0.933 0.718 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -1.638 -0.652 1.093 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -2.194 -2.234 0.496 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -2.139 -0.836 -0.605 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -3.546 2.513 1.846 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -3.820 1.078 2.863 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -2.289 1.260 1.974 1.00 0.00 H new ATOM 1058 N ALA A 80 -4.181 -3.512 -1.359 1.00 0.00 N ATOM 1059 CA ALA A 80 -3.867 -4.926 -1.522 1.00 0.00 C ATOM 1060 C ALA A 80 -2.373 -5.180 -1.350 1.00 0.00 C ATOM 1061 O ALA A 80 -1.546 -4.349 -1.727 1.00 0.00 O ATOM 1062 CB ALA A 80 -4.334 -5.418 -2.884 1.00 0.00 C ATOM 0 H ALA A 80 -4.173 -2.976 -2.227 1.00 0.00 H new ATOM 0 HA ALA A 80 -4.395 -5.481 -0.747 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -4.093 -6.476 -2.991 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -5.412 -5.281 -2.970 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -3.832 -4.850 -3.668 1.00 0.00 H new ATOM 1068 N ILE A 81 -2.035 -6.331 -0.779 1.00 0.00 N ATOM 1069 CA ILE A 81 -0.640 -6.693 -0.558 1.00 0.00 C ATOM 1070 C ILE A 81 -0.439 -8.200 -0.671 1.00 0.00 C ATOM 1071 O ILE A 81 -0.831 -8.959 0.215 1.00 0.00 O ATOM 1072 CB ILE A 81 -0.149 -6.223 0.824 1.00 0.00 C ATOM 1073 CG1 ILE A 81 -0.389 -4.721 0.992 1.00 0.00 C ATOM 1074 CG2 ILE A 81 1.326 -6.553 1.002 1.00 0.00 C ATOM 1075 CD1 ILE A 81 0.027 -4.191 2.346 1.00 0.00 C ATOM 0 H ILE A 81 -2.708 -7.029 -0.461 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.057 -6.192 -1.331 1.00 0.00 H new ATOM 0 HB ILE A 81 -0.715 -6.750 1.593 1.00 0.00 H new ATOM 0 HG12 ILE A 81 0.159 -4.185 0.217 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -1.447 -4.511 0.838 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.659 -6.215 1.983 1.00 0.00 H new ATOM 0 HG22 ILE A 81 1.470 -7.630 0.921 1.00 0.00 H new ATOM 0 HG23 ILE A 81 1.907 -6.050 0.229 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -0.172 -3.120 2.394 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -0.539 -4.701 3.126 1.00 0.00 H new ATOM 0 HD13 ILE A 81 1.092 -4.369 2.495 1.00 0.00 H new ATOM 1087 N LYS A 82 0.178 -8.628 -1.768 1.00 0.00 N ATOM 1088 CA LYS A 82 0.435 -10.044 -1.998 1.00 0.00 C ATOM 1089 C LYS A 82 1.934 -10.326 -2.033 1.00 0.00 C ATOM 1090 O LYS A 82 2.742 -9.418 -2.233 1.00 0.00 O ATOM 1091 CB LYS A 82 -0.210 -10.495 -3.311 1.00 0.00 C ATOM 1092 CG LYS A 82 -1.719 -10.328 -3.335 1.00 0.00 C ATOM 1093 CD LYS A 82 -2.360 -11.205 -4.397 1.00 0.00 C ATOM 1094 CE LYS A 82 -3.650 -10.593 -4.922 1.00 0.00 C ATOM 1095 NZ LYS A 82 -3.389 -9.436 -5.822 1.00 0.00 N ATOM 0 H LYS A 82 0.509 -8.013 -2.512 1.00 0.00 H new ATOM 0 HA LYS A 82 -0.004 -10.605 -1.173 1.00 0.00 H new ATOM 0 HB2 LYS A 82 0.223 -9.926 -4.133 1.00 0.00 H new ATOM 0 HB3 LYS A 82 0.034 -11.543 -3.485 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -2.129 -10.580 -2.357 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -1.967 -9.284 -3.525 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -1.662 -11.348 -5.222 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -2.567 -12.191 -3.980 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -4.219 -11.351 -5.461 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -4.266 -10.269 -4.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -4.258 -9.197 -6.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -3.088 -8.617 -5.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -2.639 -9.684 -6.498 1.00 0.00 H new ATOM 1109 N TYR A 83 2.299 -11.589 -1.839 1.00 0.00 N ATOM 1110 CA TYR A 83 3.701 -11.989 -1.848 1.00 0.00 C ATOM 1111 C TYR A 83 3.836 -13.492 -2.071 1.00 0.00 C ATOM 1112 O TYR A 83 3.226 -14.294 -1.365 1.00 0.00 O ATOM 1113 CB TYR A 83 4.374 -11.595 -0.532 1.00 0.00 C ATOM 1114 CG TYR A 83 5.877 -11.467 -0.635 1.00 0.00 C ATOM 1115 CD1 TYR A 83 6.469 -10.261 -0.990 1.00 0.00 C ATOM 1116 CD2 TYR A 83 6.705 -12.553 -0.377 1.00 0.00 C ATOM 1117 CE1 TYR A 83 7.841 -10.140 -1.086 1.00 0.00 C ATOM 1118 CE2 TYR A 83 8.079 -12.440 -0.469 1.00 0.00 C ATOM 1119 CZ TYR A 83 8.642 -11.233 -0.824 1.00 0.00 C ATOM 1120 OH TYR A 83 10.010 -11.116 -0.918 1.00 0.00 O ATOM 0 H TYR A 83 1.643 -12.353 -1.674 1.00 0.00 H new ATOM 0 HA TYR A 83 4.195 -11.472 -2.670 1.00 0.00 H new ATOM 0 HB2 TYR A 83 3.959 -10.646 -0.192 1.00 0.00 H new ATOM 0 HB3 TYR A 83 4.132 -12.339 0.227 1.00 0.00 H new ATOM 0 HD1 TYR A 83 5.845 -9.403 -1.194 1.00 0.00 H new ATOM 0 HD2 TYR A 83 6.267 -13.501 -0.100 1.00 0.00 H new ATOM 0 HE1 TYR A 83 8.285 -9.196 -1.364 1.00 0.00 H new ATOM 0 HE2 TYR A 83 8.709 -13.293 -0.264 1.00 0.00 H new ATOM 0 HH TYR A 83 10.253 -10.834 -1.825 1.00 0.00 H new ATOM 1130 N GLY A 84 4.644 -13.867 -3.059 1.00 0.00 N ATOM 1131 CA GLY A 84 4.847 -15.272 -3.359 1.00 0.00 C ATOM 1132 C GLY A 84 3.551 -16.059 -3.355 1.00 0.00 C ATOM 1133 O GLY A 84 3.453 -17.104 -2.712 1.00 0.00 O ATOM 0 H GLY A 84 5.161 -13.222 -3.657 1.00 0.00 H new ATOM 0 HA2 GLY A 84 5.323 -15.367 -4.335 1.00 0.00 H new ATOM 0 HA3 GLY A 84 5.531 -15.701 -2.627 1.00 0.00 H new ATOM 1137 N GLY A 85 2.552 -15.555 -4.073 1.00 0.00 N ATOM 1138 CA GLY A 85 1.269 -16.230 -4.135 1.00 0.00 C ATOM 1139 C GLY A 85 0.157 -15.318 -4.615 1.00 0.00 C ATOM 1140 O GLY A 85 0.133 -14.124 -4.318 1.00 0.00 O ATOM 0 H GLY A 85 2.608 -14.691 -4.613 1.00 0.00 H new ATOM 0 HA2 GLY A 85 1.345 -17.088 -4.803 1.00 0.00 H new ATOM 0 HA3 GLY A 85 1.017 -16.616 -3.147 1.00 0.00 H new ATOM 1144 N PRO A 86 -0.791 -15.885 -5.377 1.00 0.00 N ATOM 1145 CA PRO A 86 -1.927 -15.132 -5.916 1.00 0.00 C ATOM 1146 C PRO A 86 -2.913 -14.713 -4.831 1.00 0.00 C ATOM 1147 O PRO A 86 -3.911 -14.050 -5.110 1.00 0.00 O ATOM 1148 CB PRO A 86 -2.583 -16.124 -6.881 1.00 0.00 C ATOM 1149 CG PRO A 86 -2.197 -17.467 -6.364 1.00 0.00 C ATOM 1150 CD PRO A 86 -0.825 -17.303 -5.770 1.00 0.00 C ATOM 0 HA PRO A 86 -1.612 -14.201 -6.388 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -3.666 -16.003 -6.898 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -2.230 -15.976 -7.902 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -2.908 -17.816 -5.615 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -2.190 -18.206 -7.165 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -0.677 -17.961 -4.914 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -0.044 -17.539 -6.492 1.00 0.00 H new ATOM 1158 N GLN A 87 -2.625 -15.104 -3.594 1.00 0.00 N ATOM 1159 CA GLN A 87 -3.487 -14.769 -2.467 1.00 0.00 C ATOM 1160 C GLN A 87 -2.905 -13.612 -1.662 1.00 0.00 C ATOM 1161 O GLN A 87 -1.777 -13.179 -1.903 1.00 0.00 O ATOM 1162 CB GLN A 87 -3.679 -15.988 -1.563 1.00 0.00 C ATOM 1163 CG GLN A 87 -2.407 -16.429 -0.857 1.00 0.00 C ATOM 1164 CD GLN A 87 -2.683 -17.132 0.457 1.00 0.00 C ATOM 1165 OE1 GLN A 87 -2.938 -18.336 0.489 1.00 0.00 O ATOM 1166 NE2 GLN A 87 -2.632 -16.382 1.552 1.00 0.00 N ATOM 0 H GLN A 87 -1.802 -15.653 -3.347 1.00 0.00 H new ATOM 0 HA GLN A 87 -4.456 -14.463 -2.862 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -4.439 -15.759 -0.816 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -4.059 -16.817 -2.161 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -1.846 -17.096 -1.511 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -1.777 -15.558 -0.674 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -2.417 -15.388 1.479 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -2.808 -16.800 2.465 1.00 0.00 H new ATOM 1175 N HIS A 88 -3.681 -13.114 -0.704 1.00 0.00 N ATOM 1176 CA HIS A 88 -3.242 -12.006 0.137 1.00 0.00 C ATOM 1177 C HIS A 88 -2.427 -12.514 1.323 1.00 0.00 C ATOM 1178 O HIS A 88 -2.623 -13.638 1.787 1.00 0.00 O ATOM 1179 CB HIS A 88 -4.447 -11.208 0.636 1.00 0.00 C ATOM 1180 CG HIS A 88 -5.083 -10.359 -0.421 1.00 0.00 C ATOM 1181 ND1 HIS A 88 -5.400 -9.031 -0.229 1.00 0.00 N ATOM 1182 CD2 HIS A 88 -5.458 -10.655 -1.687 1.00 0.00 C ATOM 1183 CE1 HIS A 88 -5.945 -8.547 -1.331 1.00 0.00 C ATOM 1184 NE2 HIS A 88 -5.991 -9.512 -2.231 1.00 0.00 N ATOM 0 H HIS A 88 -4.617 -13.460 -0.491 1.00 0.00 H new ATOM 0 HA HIS A 88 -2.608 -11.354 -0.465 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -5.191 -11.899 1.032 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -4.133 -10.570 1.462 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -5.357 -11.612 -2.178 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -6.294 -7.534 -1.472 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -6.362 -9.423 -3.177 1.00 0.00 H new ATOM 1193 N ILE A 89 -1.513 -11.680 1.807 1.00 0.00 N ATOM 1194 CA ILE A 89 -0.669 -12.045 2.937 1.00 0.00 C ATOM 1195 C ILE A 89 -1.450 -11.994 4.246 1.00 0.00 C ATOM 1196 O ILE A 89 -2.532 -11.410 4.313 1.00 0.00 O ATOM 1197 CB ILE A 89 0.557 -11.119 3.048 1.00 0.00 C ATOM 1198 CG1 ILE A 89 0.112 -9.678 3.305 1.00 0.00 C ATOM 1199 CG2 ILE A 89 1.399 -11.202 1.783 1.00 0.00 C ATOM 1200 CD1 ILE A 89 1.121 -8.865 4.086 1.00 0.00 C ATOM 0 H ILE A 89 -1.338 -10.747 1.434 1.00 0.00 H new ATOM 0 HA ILE A 89 -0.328 -13.065 2.759 1.00 0.00 H new ATOM 0 HB ILE A 89 1.168 -11.447 3.889 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -0.076 -9.188 2.350 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -0.833 -9.689 3.849 1.00 0.00 H new ATOM 0 HG21 ILE A 89 2.262 -10.542 1.876 1.00 0.00 H new ATOM 0 HG22 ILE A 89 1.740 -12.227 1.640 1.00 0.00 H new ATOM 0 HG23 ILE A 89 0.799 -10.896 0.926 1.00 0.00 H new ATOM 0 HD11 ILE A 89 0.740 -7.854 4.231 1.00 0.00 H new ATOM 0 HD12 ILE A 89 1.291 -9.332 5.056 1.00 0.00 H new ATOM 0 HD13 ILE A 89 2.060 -8.823 3.534 1.00 0.00 H new ATOM 1212 N VAL A 90 -0.894 -12.607 5.286 1.00 0.00 N ATOM 1213 CA VAL A 90 -1.537 -12.629 6.594 1.00 0.00 C ATOM 1214 C VAL A 90 -1.959 -11.228 7.023 1.00 0.00 C ATOM 1215 O VAL A 90 -1.119 -10.364 7.271 1.00 0.00 O ATOM 1216 CB VAL A 90 -0.606 -13.224 7.667 1.00 0.00 C ATOM 1217 CG1 VAL A 90 0.727 -12.492 7.683 1.00 0.00 C ATOM 1218 CG2 VAL A 90 -1.268 -13.171 9.035 1.00 0.00 C ATOM 0 H VAL A 90 0.001 -13.095 5.248 1.00 0.00 H new ATOM 0 HA VAL A 90 -2.422 -13.259 6.501 1.00 0.00 H new ATOM 0 HB VAL A 90 -0.417 -14.269 7.420 1.00 0.00 H new ATOM 0 HG11 VAL A 90 1.371 -12.926 8.447 1.00 0.00 H new ATOM 0 HG12 VAL A 90 1.206 -12.586 6.708 1.00 0.00 H new ATOM 0 HG13 VAL A 90 0.561 -11.438 7.905 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -0.596 -13.595 9.781 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -1.488 -12.135 9.293 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -2.195 -13.744 9.013 1.00 0.00 H new ATOM 1228 N GLY A 91 -3.267 -11.010 7.108 1.00 0.00 N ATOM 1229 CA GLY A 91 -3.779 -9.712 7.507 1.00 0.00 C ATOM 1230 C GLY A 91 -4.439 -8.971 6.361 1.00 0.00 C ATOM 1231 O GLY A 91 -5.527 -8.416 6.516 1.00 0.00 O ATOM 0 H GLY A 91 -3.982 -11.709 6.908 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -4.500 -9.842 8.314 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -2.962 -9.109 7.903 1.00 0.00 H new ATOM 1235 N SER A 92 -3.778 -8.959 5.207 1.00 0.00 N ATOM 1236 CA SER A 92 -4.305 -8.276 4.032 1.00 0.00 C ATOM 1237 C SER A 92 -5.578 -8.955 3.534 1.00 0.00 C ATOM 1238 O SER A 92 -5.843 -10.122 3.822 1.00 0.00 O ATOM 1239 CB SER A 92 -3.257 -8.252 2.917 1.00 0.00 C ATOM 1240 OG SER A 92 -2.392 -7.138 3.054 1.00 0.00 O ATOM 0 H SER A 92 -2.877 -9.415 5.061 1.00 0.00 H new ATOM 0 HA SER A 92 -4.547 -7.252 4.316 1.00 0.00 H new ATOM 0 HB2 SER A 92 -2.675 -9.173 2.941 1.00 0.00 H new ATOM 0 HB3 SER A 92 -3.754 -8.214 1.948 1.00 0.00 H new ATOM 0 HG SER A 92 -2.655 -6.614 3.840 1.00 0.00 H new ATOM 1246 N PRO A 93 -6.386 -8.206 2.768 1.00 0.00 N ATOM 1247 CA PRO A 93 -6.081 -6.815 2.419 1.00 0.00 C ATOM 1248 C PRO A 93 -6.189 -5.880 3.618 1.00 0.00 C ATOM 1249 O PRO A 93 -6.527 -6.306 4.722 1.00 0.00 O ATOM 1250 CB PRO A 93 -7.144 -6.470 1.374 1.00 0.00 C ATOM 1251 CG PRO A 93 -8.279 -7.390 1.670 1.00 0.00 C ATOM 1252 CD PRO A 93 -7.659 -8.660 2.184 1.00 0.00 C ATOM 0 HA PRO A 93 -5.058 -6.700 2.060 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -7.450 -5.427 1.450 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -6.767 -6.619 0.362 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -8.950 -6.956 2.411 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -8.872 -7.579 0.775 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -8.292 -9.144 2.928 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -7.499 -9.382 1.383 1.00 0.00 H new ATOM 1260 N PHE A 94 -5.900 -4.602 3.394 1.00 0.00 N ATOM 1261 CA PHE A 94 -5.964 -3.606 4.457 1.00 0.00 C ATOM 1262 C PHE A 94 -6.876 -2.448 4.062 1.00 0.00 C ATOM 1263 O PHE A 94 -6.962 -2.082 2.890 1.00 0.00 O ATOM 1264 CB PHE A 94 -4.563 -3.080 4.778 1.00 0.00 C ATOM 1265 CG PHE A 94 -3.696 -4.080 5.488 1.00 0.00 C ATOM 1266 CD1 PHE A 94 -3.835 -4.293 6.850 1.00 0.00 C ATOM 1267 CD2 PHE A 94 -2.744 -4.808 4.793 1.00 0.00 C ATOM 1268 CE1 PHE A 94 -3.037 -5.212 7.506 1.00 0.00 C ATOM 1269 CE2 PHE A 94 -1.944 -5.728 5.444 1.00 0.00 C ATOM 1270 CZ PHE A 94 -2.092 -5.931 6.802 1.00 0.00 C ATOM 0 H PHE A 94 -5.619 -4.232 2.486 1.00 0.00 H new ATOM 0 HA PHE A 94 -6.377 -4.085 5.345 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -4.074 -2.781 3.851 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -4.652 -2.185 5.394 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -4.575 -3.735 7.405 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -2.626 -4.655 3.730 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -3.153 -5.367 8.568 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -1.204 -6.288 4.891 1.00 0.00 H new ATOM 0 HZ PHE A 94 -1.469 -6.651 7.312 1.00 0.00 H new ATOM 1280 N LYS A 95 -7.556 -1.875 5.049 1.00 0.00 N ATOM 1281 CA LYS A 95 -8.461 -0.758 4.808 1.00 0.00 C ATOM 1282 C LYS A 95 -7.873 0.544 5.342 1.00 0.00 C ATOM 1283 O LYS A 95 -7.438 0.615 6.491 1.00 0.00 O ATOM 1284 CB LYS A 95 -9.818 -1.024 5.464 1.00 0.00 C ATOM 1285 CG LYS A 95 -10.978 -0.342 4.760 1.00 0.00 C ATOM 1286 CD LYS A 95 -12.272 -1.120 4.935 1.00 0.00 C ATOM 1287 CE LYS A 95 -12.327 -2.326 4.009 1.00 0.00 C ATOM 1288 NZ LYS A 95 -13.522 -3.173 4.273 1.00 0.00 N ATOM 0 H LYS A 95 -7.497 -2.166 6.025 1.00 0.00 H new ATOM 0 HA LYS A 95 -8.598 -0.659 3.731 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -9.998 -2.099 5.485 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -9.784 -0.687 6.500 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -11.102 0.666 5.155 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -10.753 -0.243 3.698 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -12.362 -1.450 5.970 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -13.121 -0.466 4.734 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -12.343 -1.988 2.973 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -11.424 -2.923 4.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -13.523 -3.984 3.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -13.494 -3.517 5.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -14.385 -2.611 4.127 1.00 0.00 H new ATOM 1302 N ALA A 96 -7.865 1.573 4.501 1.00 0.00 N ATOM 1303 CA ALA A 96 -7.334 2.874 4.890 1.00 0.00 C ATOM 1304 C ALA A 96 -8.426 3.938 4.878 1.00 0.00 C ATOM 1305 O ALA A 96 -8.893 4.352 3.817 1.00 0.00 O ATOM 1306 CB ALA A 96 -6.193 3.275 3.967 1.00 0.00 C ATOM 0 H ALA A 96 -8.220 1.531 3.546 1.00 0.00 H new ATOM 0 HA ALA A 96 -6.952 2.794 5.908 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -5.806 4.248 4.269 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -5.397 2.533 4.029 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.557 3.332 2.941 1.00 0.00 H new ATOM 1312 N LYS A 97 -8.829 4.378 6.065 1.00 0.00 N ATOM 1313 CA LYS A 97 -9.866 5.396 6.193 1.00 0.00 C ATOM 1314 C LYS A 97 -9.251 6.778 6.387 1.00 0.00 C ATOM 1315 O LYS A 97 -8.656 7.064 7.426 1.00 0.00 O ATOM 1316 CB LYS A 97 -10.789 5.067 7.368 1.00 0.00 C ATOM 1317 CG LYS A 97 -11.848 6.126 7.624 1.00 0.00 C ATOM 1318 CD LYS A 97 -13.086 5.531 8.274 1.00 0.00 C ATOM 1319 CE LYS A 97 -13.977 4.844 7.250 1.00 0.00 C ATOM 1320 NZ LYS A 97 -14.576 5.816 6.294 1.00 0.00 N ATOM 0 H LYS A 97 -8.453 4.046 6.953 1.00 0.00 H new ATOM 0 HA LYS A 97 -10.449 5.404 5.272 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -11.280 4.113 7.177 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -10.187 4.942 8.268 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -11.437 6.905 8.267 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -12.123 6.602 6.683 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -12.788 4.813 9.038 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -13.648 6.318 8.777 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -13.394 4.105 6.699 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -14.772 4.304 7.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -15.431 5.403 5.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -14.827 6.690 6.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -13.889 6.035 5.545 1.00 0.00 H new ATOM 1334 N VAL A 98 -9.399 7.633 5.380 1.00 0.00 N ATOM 1335 CA VAL A 98 -8.860 8.987 5.441 1.00 0.00 C ATOM 1336 C VAL A 98 -9.900 9.969 5.969 1.00 0.00 C ATOM 1337 O VAL A 98 -11.100 9.800 5.746 1.00 0.00 O ATOM 1338 CB VAL A 98 -8.377 9.462 4.058 1.00 0.00 C ATOM 1339 CG1 VAL A 98 -7.826 10.877 4.142 1.00 0.00 C ATOM 1340 CG2 VAL A 98 -7.333 8.506 3.502 1.00 0.00 C ATOM 0 H VAL A 98 -9.888 7.412 4.512 1.00 0.00 H new ATOM 0 HA VAL A 98 -8.011 8.959 6.124 1.00 0.00 H new ATOM 0 HB VAL A 98 -9.228 9.470 3.377 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -7.490 11.196 3.155 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -8.607 11.551 4.494 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -6.986 10.900 4.837 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -7.003 8.857 2.524 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -6.480 8.464 4.180 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -7.767 7.511 3.403 1.00 0.00 H new ATOM 1350 N THR A 99 -9.433 10.997 6.670 1.00 0.00 N ATOM 1351 CA THR A 99 -10.322 12.007 7.231 1.00 0.00 C ATOM 1352 C THR A 99 -9.847 13.413 6.880 1.00 0.00 C ATOM 1353 O THR A 99 -8.685 13.756 7.090 1.00 0.00 O ATOM 1354 CB THR A 99 -10.423 11.878 8.762 1.00 0.00 C ATOM 1355 OG1 THR A 99 -9.119 11.965 9.348 1.00 0.00 O ATOM 1356 CG2 THR A 99 -11.073 10.560 9.153 1.00 0.00 C ATOM 0 H THR A 99 -8.444 11.152 6.863 1.00 0.00 H new ATOM 0 HA THR A 99 -11.307 11.840 6.794 1.00 0.00 H new ATOM 0 HB THR A 99 -11.043 12.694 9.133 1.00 0.00 H new ATOM 0 HG1 THR A 99 -8.501 11.382 8.859 1.00 0.00 H new ATOM 0 HG21 THR A 99 -11.133 10.492 10.239 1.00 0.00 H new ATOM 0 HG22 THR A 99 -12.076 10.510 8.730 1.00 0.00 H new ATOM 0 HG23 THR A 99 -10.476 9.732 8.770 1.00 0.00 H new ATOM 1364 N GLY A 100 -10.756 14.223 6.346 1.00 0.00 N ATOM 1365 CA GLY A 100 -10.411 15.583 5.975 1.00 0.00 C ATOM 1366 C GLY A 100 -11.154 16.054 4.741 1.00 0.00 C ATOM 1367 O GLY A 100 -11.862 15.289 4.087 1.00 0.00 O ATOM 0 H GLY A 100 -11.725 13.962 6.164 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -10.635 16.251 6.807 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -9.338 15.646 5.795 1.00 0.00 H new ATOM 1371 N PRO A 101 -10.998 17.344 4.408 1.00 0.00 N ATOM 1372 CA PRO A 101 -11.653 17.946 3.243 1.00 0.00 C ATOM 1373 C PRO A 101 -11.078 17.434 1.926 1.00 0.00 C ATOM 1374 O PRO A 101 -9.861 17.397 1.742 1.00 0.00 O ATOM 1375 CB PRO A 101 -11.365 19.440 3.407 1.00 0.00 C ATOM 1376 CG PRO A 101 -10.118 19.500 4.219 1.00 0.00 C ATOM 1377 CD PRO A 101 -10.168 18.314 5.143 1.00 0.00 C ATOM 0 HA PRO A 101 -12.715 17.705 3.202 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -11.231 19.926 2.440 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -12.188 19.949 3.908 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -9.235 19.461 3.581 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -10.064 20.432 4.782 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -9.172 17.919 5.345 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -10.609 18.573 6.106 1.00 0.00 H new