USER MOD reduce.3.24.130724 H: found=0, std=0, add=397, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 338 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 47 CYS SG : rot -60:sc= 1.1 USER MOD Set 1.2: A 48 THR OG1 : rot 53:sc= 0.00248 USER MOD Single : A 8 GLN : amide:sc= -0.0232 X(o=-0.023,f=0) USER MOD Single : A 11 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 61:sc= 0.356 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 SER OG : rot 78:sc= -5.3! USER MOD Single : A 44 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 46 ASN : amide:sc= -6.96! C(o=-7!,f=-6.6!) USER MOD Single : A 50 LYS NZ :NH3+ -164:sc= -8.58! (180deg=-10.4!) USER MOD ----------------------------------------------------------------- ATOM 85 N VAL A 6 12.350 -14.610 38.919 1.00 0.00 N ATOM 86 CA VAL A 6 12.295 -14.486 37.473 1.00 0.00 C ATOM 87 C VAL A 6 11.793 -13.088 37.105 1.00 0.00 C ATOM 88 O VAL A 6 12.302 -12.466 36.173 1.00 0.00 O ATOM 89 CB VAL A 6 11.434 -15.604 36.882 1.00 0.00 C ATOM 90 CG1 VAL A 6 12.287 -16.824 36.531 1.00 0.00 C ATOM 91 CG2 VAL A 6 10.300 -15.984 37.836 1.00 0.00 C ATOM 0 HA VAL A 6 13.290 -14.600 37.043 1.00 0.00 H new ATOM 0 HB VAL A 6 10.986 -15.232 35.961 1.00 0.00 H new ATOM 0 HG11 VAL A 6 11.651 -17.604 36.113 1.00 0.00 H new ATOM 0 HG12 VAL A 6 13.043 -16.541 35.799 1.00 0.00 H new ATOM 0 HG13 VAL A 6 12.775 -17.198 37.431 1.00 0.00 H new ATOM 0 HG21 VAL A 6 9.703 -16.781 37.392 1.00 0.00 H new ATOM 0 HG22 VAL A 6 10.720 -16.328 38.781 1.00 0.00 H new ATOM 0 HG23 VAL A 6 9.668 -15.114 38.015 1.00 0.00 H new ATOM 101 N ILE A 7 10.801 -12.633 37.857 1.00 0.00 N ATOM 102 CA ILE A 7 10.224 -11.320 37.622 1.00 0.00 C ATOM 103 C ILE A 7 11.321 -10.259 37.731 1.00 0.00 C ATOM 104 O ILE A 7 11.208 -9.182 37.147 1.00 0.00 O ATOM 105 CB ILE A 7 9.040 -11.079 38.560 1.00 0.00 C ATOM 106 CG1 ILE A 7 9.450 -11.272 40.022 1.00 0.00 C ATOM 107 CG2 ILE A 7 7.850 -11.961 38.177 1.00 0.00 C ATOM 108 CD1 ILE A 7 8.643 -10.357 40.943 1.00 0.00 C ATOM 0 H ILE A 7 10.382 -13.151 38.630 1.00 0.00 H new ATOM 0 HA ILE A 7 9.818 -11.257 36.612 1.00 0.00 H new ATOM 0 HB ILE A 7 8.722 -10.042 38.450 1.00 0.00 H new ATOM 0 HG12 ILE A 7 9.298 -12.312 40.312 1.00 0.00 H new ATOM 0 HG13 ILE A 7 10.514 -11.062 40.136 1.00 0.00 H new ATOM 0 HG21 ILE A 7 7.021 -11.771 38.859 1.00 0.00 H new ATOM 0 HG22 ILE A 7 7.541 -11.732 37.157 1.00 0.00 H new ATOM 0 HG23 ILE A 7 8.139 -13.010 38.241 1.00 0.00 H new ATOM 0 HD11 ILE A 7 8.954 -10.514 41.976 1.00 0.00 H new ATOM 0 HD12 ILE A 7 8.817 -9.317 40.666 1.00 0.00 H new ATOM 0 HD13 ILE A 7 7.582 -10.586 40.845 1.00 0.00 H new ATOM 119 N GLN A 8 12.358 -10.600 38.483 1.00 0.00 N ATOM 120 CA GLN A 8 13.474 -9.691 38.676 1.00 0.00 C ATOM 121 C GLN A 8 14.148 -9.386 37.337 1.00 0.00 C ATOM 122 O GLN A 8 14.283 -8.224 36.957 1.00 0.00 O ATOM 123 CB GLN A 8 14.479 -10.262 39.679 1.00 0.00 C ATOM 124 CG GLN A 8 15.019 -9.164 40.598 1.00 0.00 C ATOM 125 CD GLN A 8 16.087 -9.718 41.544 1.00 0.00 C ATOM 126 OE1 GLN A 8 17.105 -10.247 41.130 1.00 0.00 O ATOM 127 NE2 GLN A 8 15.798 -9.566 42.833 1.00 0.00 N ATOM 0 H GLN A 8 12.448 -11.494 38.966 1.00 0.00 H new ATOM 0 HA GLN A 8 13.090 -8.758 39.088 1.00 0.00 H new ATOM 0 HB2 GLN A 8 14.001 -11.039 40.276 1.00 0.00 H new ATOM 0 HB3 GLN A 8 15.304 -10.733 39.145 1.00 0.00 H new ATOM 0 HG2 GLN A 8 15.442 -8.358 39.998 1.00 0.00 H new ATOM 0 HG3 GLN A 8 14.202 -8.735 41.178 1.00 0.00 H new ATOM 0 HE21 GLN A 8 14.927 -9.113 43.110 1.00 0.00 H new ATOM 0 HE22 GLN A 8 16.447 -9.902 43.544 1.00 0.00 H new ATOM 134 N ALA A 9 14.554 -10.450 36.660 1.00 0.00 N ATOM 135 CA ALA A 9 15.210 -10.311 35.371 1.00 0.00 C ATOM 136 C ALA A 9 14.218 -9.738 34.357 1.00 0.00 C ATOM 137 O ALA A 9 14.524 -8.771 33.661 1.00 0.00 O ATOM 138 CB ALA A 9 15.774 -11.665 34.936 1.00 0.00 C ATOM 0 H ALA A 9 14.441 -11.412 36.980 1.00 0.00 H new ATOM 0 HA ALA A 9 16.048 -9.617 35.440 1.00 0.00 H new ATOM 0 HB1 ALA A 9 16.266 -11.560 33.969 1.00 0.00 H new ATOM 0 HB2 ALA A 9 16.496 -12.013 35.675 1.00 0.00 H new ATOM 0 HB3 ALA A 9 14.962 -12.388 34.854 1.00 0.00 H new ATOM 144 N ILE A 10 13.050 -10.360 34.304 1.00 0.00 N ATOM 145 CA ILE A 10 12.011 -9.926 33.387 1.00 0.00 C ATOM 146 C ILE A 10 11.795 -8.419 33.545 1.00 0.00 C ATOM 147 O ILE A 10 11.306 -7.759 32.629 1.00 0.00 O ATOM 148 CB ILE A 10 10.740 -10.753 33.585 1.00 0.00 C ATOM 149 CG1 ILE A 10 10.985 -12.225 33.246 1.00 0.00 C ATOM 150 CG2 ILE A 10 9.574 -10.168 32.785 1.00 0.00 C ATOM 151 CD1 ILE A 10 9.887 -13.113 33.835 1.00 0.00 C ATOM 0 H ILE A 10 12.800 -11.162 34.882 1.00 0.00 H new ATOM 0 HA ILE A 10 12.318 -10.099 32.355 1.00 0.00 H new ATOM 0 HB ILE A 10 10.464 -10.706 34.638 1.00 0.00 H new ATOM 0 HG12 ILE A 10 11.019 -12.352 32.164 1.00 0.00 H new ATOM 0 HG13 ILE A 10 11.955 -12.535 33.634 1.00 0.00 H new ATOM 0 HG21 ILE A 10 8.683 -10.775 32.944 1.00 0.00 H new ATOM 0 HG22 ILE A 10 9.381 -9.147 33.116 1.00 0.00 H new ATOM 0 HG23 ILE A 10 9.826 -10.164 31.725 1.00 0.00 H new ATOM 0 HD11 ILE A 10 10.085 -14.154 33.580 1.00 0.00 H new ATOM 0 HD12 ILE A 10 9.872 -13.002 34.919 1.00 0.00 H new ATOM 0 HD13 ILE A 10 8.921 -12.816 33.426 1.00 0.00 H new ATOM 162 N GLN A 11 12.169 -7.920 34.713 1.00 0.00 N ATOM 163 CA GLN A 11 12.022 -6.503 35.003 1.00 0.00 C ATOM 164 C GLN A 11 13.015 -5.686 34.173 1.00 0.00 C ATOM 165 O GLN A 11 12.703 -4.577 33.743 1.00 0.00 O ATOM 166 CB GLN A 11 12.201 -6.228 36.498 1.00 0.00 C ATOM 167 CG GLN A 11 11.142 -5.246 37.004 1.00 0.00 C ATOM 168 CD GLN A 11 11.606 -4.555 38.288 1.00 0.00 C ATOM 169 OE1 GLN A 11 12.485 -5.024 38.993 1.00 0.00 O ATOM 170 NE2 GLN A 11 10.968 -3.419 38.552 1.00 0.00 N ATOM 0 H GLN A 11 12.574 -8.471 35.470 1.00 0.00 H new ATOM 0 HA GLN A 11 11.012 -6.199 34.729 1.00 0.00 H new ATOM 0 HB2 GLN A 11 12.131 -7.163 37.055 1.00 0.00 H new ATOM 0 HB3 GLN A 11 13.196 -5.822 36.680 1.00 0.00 H new ATOM 0 HG2 GLN A 11 10.938 -4.498 36.237 1.00 0.00 H new ATOM 0 HG3 GLN A 11 10.208 -5.776 37.189 1.00 0.00 H new ATOM 0 HE21 GLN A 11 10.242 -3.083 37.919 1.00 0.00 H new ATOM 0 HE22 GLN A 11 11.205 -2.883 39.387 1.00 0.00 H new ATOM 177 N LYS A 12 14.189 -6.266 33.973 1.00 0.00 N ATOM 178 CA LYS A 12 15.228 -5.605 33.203 1.00 0.00 C ATOM 179 C LYS A 12 14.726 -5.366 31.777 1.00 0.00 C ATOM 180 O LYS A 12 15.019 -4.333 31.178 1.00 0.00 O ATOM 181 CB LYS A 12 16.533 -6.402 33.270 1.00 0.00 C ATOM 182 CG LYS A 12 16.960 -6.633 34.721 1.00 0.00 C ATOM 183 CD LYS A 12 17.235 -5.306 35.430 1.00 0.00 C ATOM 184 CE LYS A 12 18.406 -5.439 36.405 1.00 0.00 C ATOM 185 NZ LYS A 12 18.123 -4.701 37.658 1.00 0.00 N ATOM 0 H LYS A 12 14.444 -7.187 34.331 1.00 0.00 H new ATOM 0 HA LYS A 12 15.455 -4.628 33.629 1.00 0.00 H new ATOM 0 HB2 LYS A 12 16.404 -7.361 32.768 1.00 0.00 H new ATOM 0 HB3 LYS A 12 17.318 -5.866 32.737 1.00 0.00 H new ATOM 0 HG2 LYS A 12 16.179 -7.178 35.251 1.00 0.00 H new ATOM 0 HG3 LYS A 12 17.855 -7.255 34.746 1.00 0.00 H new ATOM 0 HD2 LYS A 12 17.457 -4.535 34.693 1.00 0.00 H new ATOM 0 HD3 LYS A 12 16.343 -4.985 35.968 1.00 0.00 H new ATOM 0 HE2 LYS A 12 18.584 -6.491 36.628 1.00 0.00 H new ATOM 0 HE3 LYS A 12 19.316 -5.052 35.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 18.928 -4.801 38.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 17.976 -3.694 37.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 17.267 -5.089 38.103 1.00 0.00 H new ATOM 195 N SER A 13 13.979 -6.339 31.276 1.00 0.00 N ATOM 196 CA SER A 13 13.434 -6.247 29.933 1.00 0.00 C ATOM 197 C SER A 13 12.171 -5.382 29.938 1.00 0.00 C ATOM 198 O SER A 13 11.793 -4.824 28.909 1.00 0.00 O ATOM 199 CB SER A 13 13.124 -7.635 29.368 1.00 0.00 C ATOM 200 OG SER A 13 13.323 -7.694 27.958 1.00 0.00 O ATOM 0 H SER A 13 13.739 -7.195 31.776 1.00 0.00 H new ATOM 0 HA SER A 13 14.183 -5.782 29.292 1.00 0.00 H new ATOM 0 HB2 SER A 13 13.759 -8.375 29.855 1.00 0.00 H new ATOM 0 HB3 SER A 13 12.092 -7.899 29.600 1.00 0.00 H new ATOM 0 HG SER A 13 13.116 -8.596 27.636 1.00 0.00 H new ATOM 205 N ASP A 14 11.554 -5.300 31.108 1.00 0.00 N ATOM 206 CA ASP A 14 10.343 -4.513 31.261 1.00 0.00 C ATOM 207 C ASP A 14 10.718 -3.057 31.541 1.00 0.00 C ATOM 208 O ASP A 14 9.939 -2.146 31.263 1.00 0.00 O ATOM 209 CB ASP A 14 9.502 -5.019 32.434 1.00 0.00 C ATOM 210 CG ASP A 14 7.999 -5.113 32.160 1.00 0.00 C ATOM 211 OD1 ASP A 14 7.639 -5.107 30.962 1.00 0.00 O ATOM 212 OD2 ASP A 14 7.244 -5.187 33.153 1.00 0.00 O ATOM 0 H ASP A 14 11.870 -5.766 31.958 1.00 0.00 H new ATOM 0 HA ASP A 14 9.766 -4.599 30.340 1.00 0.00 H new ATOM 0 HB2 ASP A 14 9.866 -6.005 32.723 1.00 0.00 H new ATOM 0 HB3 ASP A 14 9.660 -4.358 33.286 1.00 0.00 H new ATOM 216 N GLU A 15 11.911 -2.881 32.090 1.00 0.00 N ATOM 217 CA GLU A 15 12.399 -1.551 32.411 1.00 0.00 C ATOM 218 C GLU A 15 13.357 -1.060 31.325 1.00 0.00 C ATOM 219 O GLU A 15 13.527 0.145 31.139 1.00 0.00 O ATOM 220 CB GLU A 15 13.072 -1.531 33.785 1.00 0.00 C ATOM 221 CG GLU A 15 12.094 -1.072 34.868 1.00 0.00 C ATOM 222 CD GLU A 15 12.197 0.438 35.096 1.00 0.00 C ATOM 223 OE1 GLU A 15 13.028 0.828 35.943 1.00 0.00 O ATOM 224 OE2 GLU A 15 11.441 1.166 34.417 1.00 0.00 O ATOM 0 H GLU A 15 12.554 -3.638 32.321 1.00 0.00 H new ATOM 0 HA GLU A 15 11.547 -0.873 32.450 1.00 0.00 H new ATOM 0 HB2 GLU A 15 13.445 -2.526 34.025 1.00 0.00 H new ATOM 0 HB3 GLU A 15 13.934 -0.864 33.762 1.00 0.00 H new ATOM 0 HG2 GLU A 15 11.076 -1.331 34.577 1.00 0.00 H new ATOM 0 HG3 GLU A 15 12.303 -1.599 35.799 1.00 0.00 H new ATOM 304 N ALA A 21 10.360 0.447 21.700 1.00 0.00 N ATOM 305 CA ALA A 21 9.439 -0.589 22.135 1.00 0.00 C ATOM 306 C ALA A 21 8.115 0.056 22.552 1.00 0.00 C ATOM 307 O ALA A 21 7.069 -0.591 22.520 1.00 0.00 O ATOM 308 CB ALA A 21 10.076 -1.397 23.267 1.00 0.00 C ATOM 0 HA ALA A 21 9.227 -1.282 21.320 1.00 0.00 H new ATOM 0 HB1 ALA A 21 9.385 -2.174 23.593 1.00 0.00 H new ATOM 0 HB2 ALA A 21 10.998 -1.857 22.911 1.00 0.00 H new ATOM 0 HB3 ALA A 21 10.300 -0.736 24.104 1.00 0.00 H new ATOM 314 N TYR A 22 8.205 1.321 22.934 1.00 0.00 N ATOM 315 CA TYR A 22 7.027 2.060 23.357 1.00 0.00 C ATOM 316 C TYR A 22 6.206 2.520 22.151 1.00 0.00 C ATOM 317 O TYR A 22 4.993 2.699 22.253 1.00 0.00 O ATOM 318 CB TYR A 22 7.546 3.289 24.105 1.00 0.00 C ATOM 319 CG TYR A 22 6.444 4.174 24.691 1.00 0.00 C ATOM 320 CD1 TYR A 22 5.767 5.061 23.879 1.00 0.00 C ATOM 321 CD2 TYR A 22 6.126 4.083 26.030 1.00 0.00 C ATOM 322 CE1 TYR A 22 4.729 5.894 24.431 1.00 0.00 C ATOM 323 CE2 TYR A 22 5.087 4.915 26.582 1.00 0.00 C ATOM 324 CZ TYR A 22 4.441 5.779 25.755 1.00 0.00 C ATOM 325 OH TYR A 22 3.461 6.565 26.275 1.00 0.00 O ATOM 0 H TYR A 22 9.075 1.853 22.960 1.00 0.00 H new ATOM 0 HA TYR A 22 6.384 1.435 23.976 1.00 0.00 H new ATOM 0 HB2 TYR A 22 8.201 2.960 24.912 1.00 0.00 H new ATOM 0 HB3 TYR A 22 8.153 3.886 23.424 1.00 0.00 H new ATOM 0 HD1 TYR A 22 6.015 5.131 22.830 1.00 0.00 H new ATOM 0 HD2 TYR A 22 6.656 3.388 26.665 1.00 0.00 H new ATOM 0 HE1 TYR A 22 4.192 6.594 23.808 1.00 0.00 H new ATOM 0 HE2 TYR A 22 4.828 4.854 27.629 1.00 0.00 H new ATOM 0 HH TYR A 22 3.362 6.375 27.231 1.00 0.00 H new ATOM 334 N LEU A 23 6.899 2.699 21.037 1.00 0.00 N ATOM 335 CA LEU A 23 6.250 3.134 19.812 1.00 0.00 C ATOM 336 C LEU A 23 5.588 1.933 19.135 1.00 0.00 C ATOM 337 O LEU A 23 4.389 1.951 18.865 1.00 0.00 O ATOM 338 CB LEU A 23 7.242 3.877 18.915 1.00 0.00 C ATOM 339 CG LEU A 23 6.836 5.291 18.492 1.00 0.00 C ATOM 340 CD1 LEU A 23 5.531 5.272 17.693 1.00 0.00 C ATOM 341 CD2 LEU A 23 6.752 6.222 19.704 1.00 0.00 C ATOM 0 H LEU A 23 7.905 2.551 20.957 1.00 0.00 H new ATOM 0 HA LEU A 23 5.459 3.850 20.034 1.00 0.00 H new ATOM 0 HB2 LEU A 23 8.198 3.935 19.435 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.404 3.283 18.016 1.00 0.00 H new ATOM 0 HG LEU A 23 7.610 5.686 17.834 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.266 6.289 17.405 1.00 0.00 H new ATOM 0 HD12 LEU A 23 5.661 4.664 16.798 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.735 4.849 18.306 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.462 7.220 19.377 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.010 5.840 20.405 1.00 0.00 H new ATOM 0 HD23 LEU A 23 7.724 6.269 20.194 1.00 0.00 H new ATOM 352 N GLU A 24 6.400 0.917 18.880 1.00 0.00 N ATOM 353 CA GLU A 24 5.907 -0.290 18.240 1.00 0.00 C ATOM 354 C GLU A 24 4.772 -0.903 19.063 1.00 0.00 C ATOM 355 O GLU A 24 3.903 -1.582 18.519 1.00 0.00 O ATOM 356 CB GLU A 24 7.038 -1.300 18.030 1.00 0.00 C ATOM 357 CG GLU A 24 7.185 -1.659 16.550 1.00 0.00 C ATOM 358 CD GLU A 24 7.763 -3.066 16.383 1.00 0.00 C ATOM 359 OE1 GLU A 24 8.939 -3.246 16.764 1.00 0.00 O ATOM 360 OE2 GLU A 24 7.015 -3.929 15.876 1.00 0.00 O ATOM 0 H GLU A 24 7.395 0.905 19.105 1.00 0.00 H new ATOM 0 HA GLU A 24 5.515 -0.023 17.259 1.00 0.00 H new ATOM 0 HB2 GLU A 24 7.975 -0.885 18.402 1.00 0.00 H new ATOM 0 HB3 GLU A 24 6.837 -2.202 18.608 1.00 0.00 H new ATOM 0 HG2 GLU A 24 6.213 -1.600 16.059 1.00 0.00 H new ATOM 0 HG3 GLU A 24 7.834 -0.934 16.059 1.00 0.00 H new ATOM 365 N SER A 25 4.818 -0.642 20.361 1.00 0.00 N ATOM 366 CA SER A 25 3.803 -1.159 21.265 1.00 0.00 C ATOM 367 C SER A 25 2.426 -0.629 20.864 1.00 0.00 C ATOM 368 O SER A 25 1.501 -1.405 20.632 1.00 0.00 O ATOM 369 CB SER A 25 4.116 -0.785 22.715 1.00 0.00 C ATOM 370 OG SER A 25 2.943 -0.760 23.524 1.00 0.00 O ATOM 0 H SER A 25 5.542 -0.080 20.809 1.00 0.00 H new ATOM 0 HA SER A 25 3.801 -2.247 21.192 1.00 0.00 H new ATOM 0 HB2 SER A 25 4.827 -1.500 23.129 1.00 0.00 H new ATOM 0 HB3 SER A 25 4.596 0.193 22.742 1.00 0.00 H new ATOM 0 HG SER A 25 3.184 -0.519 24.443 1.00 0.00 H new ATOM 375 N GLU A 26 2.333 0.691 20.794 1.00 0.00 N ATOM 376 CA GLU A 26 1.084 1.335 20.426 1.00 0.00 C ATOM 377 C GLU A 26 0.562 0.765 19.105 1.00 0.00 C ATOM 378 O GLU A 26 -0.639 0.797 18.843 1.00 0.00 O ATOM 379 CB GLU A 26 1.254 2.854 20.337 1.00 0.00 C ATOM 380 CG GLU A 26 1.082 3.505 21.711 1.00 0.00 C ATOM 381 CD GLU A 26 1.248 5.024 21.622 1.00 0.00 C ATOM 382 OE1 GLU A 26 2.417 5.468 21.619 1.00 0.00 O ATOM 383 OE2 GLU A 26 0.203 5.705 21.558 1.00 0.00 O ATOM 0 H GLU A 26 3.103 1.332 20.986 1.00 0.00 H new ATOM 0 HA GLU A 26 0.350 1.129 21.205 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.241 3.091 19.939 1.00 0.00 H new ATOM 0 HB3 GLU A 26 0.523 3.265 19.641 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.096 3.266 22.110 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.815 3.095 22.406 1.00 0.00 H new ATOM 388 N VAL A 27 1.491 0.256 18.309 1.00 0.00 N ATOM 389 CA VAL A 27 1.140 -0.322 17.022 1.00 0.00 C ATOM 390 C VAL A 27 0.642 -1.753 17.229 1.00 0.00 C ATOM 391 O VAL A 27 -0.403 -2.133 16.704 1.00 0.00 O ATOM 392 CB VAL A 27 2.332 -0.234 16.067 1.00 0.00 C ATOM 393 CG1 VAL A 27 2.109 -1.109 14.831 1.00 0.00 C ATOM 394 CG2 VAL A 27 2.611 1.216 15.669 1.00 0.00 C ATOM 0 H VAL A 27 2.486 0.232 18.530 1.00 0.00 H new ATOM 0 HA VAL A 27 0.328 0.239 16.559 1.00 0.00 H new ATOM 0 HB VAL A 27 3.210 -0.611 16.591 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.971 -1.029 14.168 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.983 -2.147 15.138 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.214 -0.775 14.305 1.00 0.00 H new ATOM 0 HG21 VAL A 27 3.463 1.249 14.990 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.735 1.632 15.172 1.00 0.00 H new ATOM 0 HG23 VAL A 27 2.835 1.802 16.561 1.00 0.00 H new ATOM 404 N ALA A 28 1.415 -2.509 17.996 1.00 0.00 N ATOM 405 CA ALA A 28 1.066 -3.891 18.278 1.00 0.00 C ATOM 406 C ALA A 28 -0.221 -3.928 19.105 1.00 0.00 C ATOM 407 O ALA A 28 -0.931 -4.933 19.109 1.00 0.00 O ATOM 408 CB ALA A 28 2.236 -4.578 18.987 1.00 0.00 C ATOM 0 H ALA A 28 2.281 -2.190 18.430 1.00 0.00 H new ATOM 0 HA ALA A 28 0.879 -4.437 17.353 1.00 0.00 H new ATOM 0 HB1 ALA A 28 1.975 -5.615 19.199 1.00 0.00 H new ATOM 0 HB2 ALA A 28 3.117 -4.549 18.346 1.00 0.00 H new ATOM 0 HB3 ALA A 28 2.450 -4.060 19.922 1.00 0.00 H new ATOM 414 N ILE A 29 -0.481 -2.822 19.786 1.00 0.00 N ATOM 415 CA ILE A 29 -1.670 -2.716 20.615 1.00 0.00 C ATOM 416 C ILE A 29 -2.880 -2.418 19.727 1.00 0.00 C ATOM 417 O ILE A 29 -4.001 -2.809 20.049 1.00 0.00 O ATOM 418 CB ILE A 29 -1.457 -1.689 21.729 1.00 0.00 C ATOM 419 CG1 ILE A 29 -1.825 -2.276 23.093 1.00 0.00 C ATOM 420 CG2 ILE A 29 -2.221 -0.396 21.437 1.00 0.00 C ATOM 421 CD1 ILE A 29 -3.335 -2.212 23.329 1.00 0.00 C ATOM 0 H ILE A 29 0.111 -1.991 19.781 1.00 0.00 H new ATOM 0 HA ILE A 29 -1.869 -3.662 21.119 1.00 0.00 H new ATOM 0 HB ILE A 29 -0.397 -1.436 21.762 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -1.488 -3.311 23.150 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -1.307 -1.728 23.880 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -2.052 0.317 22.244 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -1.869 0.030 20.497 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -3.287 -0.612 21.361 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -3.569 -2.636 24.306 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -3.665 -1.174 23.296 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -3.849 -2.781 22.554 1.00 0.00 H new ATOM 432 N SER A 30 -2.612 -1.729 18.628 1.00 0.00 N ATOM 433 CA SER A 30 -3.666 -1.375 17.692 1.00 0.00 C ATOM 434 C SER A 30 -4.263 -2.640 17.072 1.00 0.00 C ATOM 435 O SER A 30 -5.421 -2.644 16.656 1.00 0.00 O ATOM 436 CB SER A 30 -3.138 -0.446 16.595 1.00 0.00 C ATOM 437 OG SER A 30 -2.293 0.573 17.121 1.00 0.00 O ATOM 0 H SER A 30 -1.681 -1.406 18.364 1.00 0.00 H new ATOM 0 HA SER A 30 -4.445 -0.844 18.239 1.00 0.00 H new ATOM 0 HB2 SER A 30 -2.586 -1.031 15.859 1.00 0.00 H new ATOM 0 HB3 SER A 30 -3.978 0.013 16.073 1.00 0.00 H new ATOM 0 HG SER A 30 -1.517 0.162 17.557 1.00 0.00 H new ATOM 442 N GLU A 31 -3.448 -3.684 17.033 1.00 0.00 N ATOM 443 CA GLU A 31 -3.882 -4.952 16.472 1.00 0.00 C ATOM 444 C GLU A 31 -5.009 -5.548 17.318 1.00 0.00 C ATOM 445 O GLU A 31 -5.817 -6.328 16.819 1.00 0.00 O ATOM 446 CB GLU A 31 -2.710 -5.928 16.354 1.00 0.00 C ATOM 447 CG GLU A 31 -1.448 -5.214 15.865 1.00 0.00 C ATOM 448 CD GLU A 31 -1.767 -4.271 14.703 1.00 0.00 C ATOM 449 OE1 GLU A 31 -2.034 -4.799 13.602 1.00 0.00 O ATOM 450 OE2 GLU A 31 -1.735 -3.044 14.942 1.00 0.00 O ATOM 0 H GLU A 31 -2.489 -3.678 17.381 1.00 0.00 H new ATOM 0 HA GLU A 31 -4.265 -4.772 15.467 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -2.518 -6.390 17.322 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -2.969 -6.731 15.663 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -1.004 -4.649 16.685 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -0.709 -5.950 15.548 1.00 0.00 H new ATOM 455 N GLU A 32 -5.026 -5.157 18.584 1.00 0.00 N ATOM 456 CA GLU A 32 -6.041 -5.643 19.503 1.00 0.00 C ATOM 457 C GLU A 32 -7.311 -4.796 19.389 1.00 0.00 C ATOM 458 O GLU A 32 -8.399 -5.255 19.730 1.00 0.00 O ATOM 459 CB GLU A 32 -5.518 -5.654 20.941 1.00 0.00 C ATOM 460 CG GLU A 32 -4.354 -6.638 21.093 1.00 0.00 C ATOM 461 CD GLU A 32 -3.249 -6.047 21.971 1.00 0.00 C ATOM 462 OE1 GLU A 32 -3.590 -5.606 23.091 1.00 0.00 O ATOM 463 OE2 GLU A 32 -2.091 -6.051 21.505 1.00 0.00 O ATOM 0 H GLU A 32 -4.353 -4.509 18.995 1.00 0.00 H new ATOM 0 HA GLU A 32 -6.287 -6.670 19.232 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -5.191 -4.652 21.221 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -6.323 -5.929 21.623 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -4.714 -7.568 21.532 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -3.951 -6.884 20.111 1.00 0.00 H new ATOM 468 N LEU A 33 -7.128 -3.575 18.908 1.00 0.00 N ATOM 469 CA LEU A 33 -8.245 -2.661 18.744 1.00 0.00 C ATOM 470 C LEU A 33 -9.274 -3.283 17.799 1.00 0.00 C ATOM 471 O LEU A 33 -10.464 -3.319 18.108 1.00 0.00 O ATOM 472 CB LEU A 33 -7.749 -1.285 18.294 1.00 0.00 C ATOM 473 CG LEU A 33 -7.435 -0.287 19.411 1.00 0.00 C ATOM 474 CD1 LEU A 33 -8.718 0.340 19.962 1.00 0.00 C ATOM 475 CD2 LEU A 33 -6.597 -0.940 20.510 1.00 0.00 C ATOM 0 H LEU A 33 -6.223 -3.198 18.627 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.747 -2.498 19.698 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -6.850 -1.423 17.694 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -8.503 -0.844 17.642 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.837 0.521 18.990 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -8.467 1.045 20.754 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.240 0.864 19.161 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -9.362 -0.442 20.363 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -6.388 -0.209 21.291 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.146 -1.779 20.936 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.658 -1.298 20.088 1.00 0.00 H new ATOM 486 N VAL A 34 -8.778 -3.759 16.665 1.00 0.00 N ATOM 487 CA VAL A 34 -9.640 -4.377 15.674 1.00 0.00 C ATOM 488 C VAL A 34 -10.174 -5.702 16.223 1.00 0.00 C ATOM 489 O VAL A 34 -11.259 -6.141 15.846 1.00 0.00 O ATOM 490 CB VAL A 34 -8.885 -4.539 14.352 1.00 0.00 C ATOM 491 CG1 VAL A 34 -7.657 -5.435 14.529 1.00 0.00 C ATOM 492 CG2 VAL A 34 -9.805 -5.082 13.257 1.00 0.00 C ATOM 0 H VAL A 34 -7.790 -3.728 16.412 1.00 0.00 H new ATOM 0 HA VAL A 34 -10.500 -3.741 15.467 1.00 0.00 H new ATOM 0 HB VAL A 34 -8.540 -3.553 14.041 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -7.138 -5.534 13.575 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -6.985 -4.990 15.263 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -7.972 -6.420 14.875 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -9.243 -5.187 12.329 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -10.194 -6.055 13.558 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -10.634 -4.391 13.103 1.00 0.00 H new ATOM 502 N GLN A 35 -9.386 -6.300 17.104 1.00 0.00 N ATOM 503 CA GLN A 35 -9.767 -7.566 17.709 1.00 0.00 C ATOM 504 C GLN A 35 -10.713 -7.327 18.888 1.00 0.00 C ATOM 505 O GLN A 35 -11.411 -8.242 19.323 1.00 0.00 O ATOM 506 CB GLN A 35 -8.533 -8.357 18.147 1.00 0.00 C ATOM 507 CG GLN A 35 -7.780 -8.913 16.937 1.00 0.00 C ATOM 508 CD GLN A 35 -7.361 -10.365 17.172 1.00 0.00 C ATOM 509 OE1 GLN A 35 -6.412 -10.658 17.881 1.00 0.00 O ATOM 510 NE2 GLN A 35 -8.119 -11.256 16.539 1.00 0.00 N ATOM 0 H GLN A 35 -8.486 -5.932 17.414 1.00 0.00 H new ATOM 0 HA GLN A 35 -10.293 -8.161 16.962 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -7.871 -7.714 18.727 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -8.835 -9.176 18.800 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -8.412 -8.852 16.051 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -6.898 -8.303 16.742 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -8.899 -10.943 15.961 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -7.921 -12.252 16.632 1.00 0.00 H new ATOM 517 N LYS A 36 -10.704 -6.094 19.372 1.00 0.00 N ATOM 518 CA LYS A 36 -11.552 -5.723 20.493 1.00 0.00 C ATOM 519 C LYS A 36 -12.990 -5.546 20.001 1.00 0.00 C ATOM 520 O LYS A 36 -13.935 -5.697 20.772 1.00 0.00 O ATOM 521 CB LYS A 36 -10.989 -4.492 21.206 1.00 0.00 C ATOM 522 CG LYS A 36 -10.791 -4.766 22.699 1.00 0.00 C ATOM 523 CD LYS A 36 -10.581 -3.464 23.472 1.00 0.00 C ATOM 524 CE LYS A 36 -9.114 -3.295 23.872 1.00 0.00 C ATOM 525 NZ LYS A 36 -8.976 -3.284 25.346 1.00 0.00 N ATOM 0 H LYS A 36 -10.123 -5.339 19.009 1.00 0.00 H new ATOM 0 HA LYS A 36 -11.566 -6.516 21.240 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -10.038 -4.209 20.755 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -11.667 -3.649 21.074 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -11.660 -5.292 23.094 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -9.931 -5.420 22.841 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -10.894 -2.619 22.860 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -11.208 -3.461 24.364 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -8.521 -4.107 23.451 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -8.723 -2.366 23.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -7.974 -3.169 25.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -9.526 -2.495 25.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -9.330 -4.181 25.735 1.00 0.00 H new ATOM 535 N TYR A 37 -13.109 -5.228 18.720 1.00 0.00 N ATOM 536 CA TYR A 37 -14.415 -5.029 18.118 1.00 0.00 C ATOM 537 C TYR A 37 -15.306 -6.256 18.319 1.00 0.00 C ATOM 538 O TYR A 37 -16.527 -6.135 18.401 1.00 0.00 O ATOM 539 CB TYR A 37 -14.164 -4.836 16.620 1.00 0.00 C ATOM 540 CG TYR A 37 -15.169 -5.559 15.723 1.00 0.00 C ATOM 541 CD1 TYR A 37 -15.115 -6.933 15.591 1.00 0.00 C ATOM 542 CD2 TYR A 37 -16.131 -4.839 15.042 1.00 0.00 C ATOM 543 CE1 TYR A 37 -16.062 -7.613 14.746 1.00 0.00 C ATOM 544 CE2 TYR A 37 -17.077 -5.519 14.197 1.00 0.00 C ATOM 545 CZ TYR A 37 -16.996 -6.873 14.091 1.00 0.00 C ATOM 546 OH TYR A 37 -17.889 -7.516 13.293 1.00 0.00 O ATOM 0 H TYR A 37 -12.322 -5.103 18.083 1.00 0.00 H new ATOM 0 HA TYR A 37 -14.920 -4.176 18.572 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -14.190 -3.770 16.392 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -13.160 -5.189 16.382 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -14.362 -7.497 16.122 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -16.173 -3.765 15.144 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -16.031 -8.687 14.635 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -17.834 -4.967 13.659 1.00 0.00 H new ATOM 0 HH TYR A 37 -18.497 -6.862 12.890 1.00 0.00 H new ATOM 555 N SER A 38 -14.659 -7.410 18.393 1.00 0.00 N ATOM 556 CA SER A 38 -15.377 -8.659 18.583 1.00 0.00 C ATOM 557 C SER A 38 -15.956 -8.720 19.999 1.00 0.00 C ATOM 558 O SER A 38 -17.094 -9.143 20.189 1.00 0.00 O ATOM 559 CB SER A 38 -14.467 -9.862 18.330 1.00 0.00 C ATOM 560 OG SER A 38 -15.151 -10.920 17.664 1.00 0.00 O ATOM 0 H SER A 38 -13.646 -7.506 18.325 1.00 0.00 H new ATOM 0 HA SER A 38 -16.193 -8.697 17.861 1.00 0.00 H new ATOM 0 HB2 SER A 38 -13.612 -9.550 17.731 1.00 0.00 H new ATOM 0 HB3 SER A 38 -14.075 -10.226 19.280 1.00 0.00 H new ATOM 0 HG SER A 38 -14.535 -11.668 17.520 1.00 0.00 H new ATOM 565 N ASN A 39 -15.145 -8.291 20.954 1.00 0.00 N ATOM 566 CA ASN A 39 -15.561 -8.290 22.346 1.00 0.00 C ATOM 567 C ASN A 39 -16.387 -7.034 22.625 1.00 0.00 C ATOM 568 O ASN A 39 -17.215 -7.021 23.537 1.00 0.00 O ATOM 569 CB ASN A 39 -14.352 -8.280 23.282 1.00 0.00 C ATOM 570 CG ASN A 39 -14.372 -9.491 24.216 1.00 0.00 C ATOM 571 OD1 ASN A 39 -14.942 -9.468 25.295 1.00 0.00 O ATOM 572 ND2 ASN A 39 -13.717 -10.549 23.745 1.00 0.00 N ATOM 0 H ASN A 39 -14.201 -7.941 20.791 1.00 0.00 H new ATOM 0 HA ASN A 39 -16.146 -9.192 22.524 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -13.433 -8.284 22.695 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -14.351 -7.362 23.870 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -13.671 -11.407 24.295 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -13.261 -10.502 22.834 1.00 0.00 H new ATOM 578 N SER A 40 -16.135 -6.008 21.827 1.00 0.00 N ATOM 579 CA SER A 40 -16.846 -4.749 21.978 1.00 0.00 C ATOM 580 C SER A 40 -18.227 -4.847 21.327 1.00 0.00 C ATOM 581 O SER A 40 -19.161 -4.158 21.738 1.00 0.00 O ATOM 582 CB SER A 40 -16.052 -3.593 21.367 1.00 0.00 C ATOM 583 OG SER A 40 -14.930 -3.233 22.168 1.00 0.00 O ATOM 0 H SER A 40 -15.448 -6.022 21.073 1.00 0.00 H new ATOM 0 HA SER A 40 -16.967 -4.549 23.043 1.00 0.00 H new ATOM 0 HB2 SER A 40 -15.711 -3.874 20.371 1.00 0.00 H new ATOM 0 HB3 SER A 40 -16.705 -2.728 21.248 1.00 0.00 H new ATOM 0 HG SER A 40 -14.205 -3.877 22.024 1.00 0.00 H new ATOM 588 N ALA A 41 -18.314 -5.708 20.324 1.00 0.00 N ATOM 589 CA ALA A 41 -19.566 -5.904 19.614 1.00 0.00 C ATOM 590 C ALA A 41 -20.684 -6.170 20.623 1.00 0.00 C ATOM 591 O ALA A 41 -21.860 -5.974 20.319 1.00 0.00 O ATOM 592 CB ALA A 41 -19.408 -7.045 18.606 1.00 0.00 C ATOM 0 H ALA A 41 -17.538 -6.278 19.986 1.00 0.00 H new ATOM 0 HA ALA A 41 -19.833 -5.008 19.054 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -20.347 -7.192 18.073 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -18.622 -6.795 17.894 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -19.142 -7.962 19.133 1.00 0.00 H new ATOM 598 N LEU A 42 -20.279 -6.613 21.804 1.00 0.00 N ATOM 599 CA LEU A 42 -21.233 -6.908 22.860 1.00 0.00 C ATOM 600 C LEU A 42 -22.335 -5.846 22.857 1.00 0.00 C ATOM 601 O LEU A 42 -23.491 -6.147 22.561 1.00 0.00 O ATOM 602 CB LEU A 42 -20.516 -7.046 24.205 1.00 0.00 C ATOM 603 CG LEU A 42 -20.362 -8.471 24.740 1.00 0.00 C ATOM 604 CD1 LEU A 42 -18.887 -8.827 24.933 1.00 0.00 C ATOM 605 CD2 LEU A 42 -21.172 -8.667 26.022 1.00 0.00 C ATOM 0 H LEU A 42 -19.303 -6.775 22.053 1.00 0.00 H new ATOM 0 HA LEU A 42 -21.715 -7.869 22.681 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -19.524 -6.605 24.112 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -21.058 -6.458 24.945 1.00 0.00 H new ATOM 0 HG LEU A 42 -20.765 -9.160 23.998 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -18.805 -9.845 25.314 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -18.367 -8.754 23.978 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -18.436 -8.136 25.645 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -21.044 -9.688 26.380 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -20.823 -7.969 26.783 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -22.227 -8.483 25.818 1.00 0.00 H new ATOM 616 N GLY A 43 -21.939 -4.627 23.189 1.00 0.00 N ATOM 617 CA GLY A 43 -22.880 -3.519 23.227 1.00 0.00 C ATOM 618 C GLY A 43 -22.577 -2.504 22.123 1.00 0.00 C ATOM 619 O GLY A 43 -22.242 -1.355 22.406 1.00 0.00 O ATOM 0 H GLY A 43 -20.980 -4.381 23.434 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -23.896 -3.896 23.110 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -22.831 -3.029 24.200 1.00 0.00 H new ATOM 623 N HIS A 44 -22.706 -2.966 20.888 1.00 0.00 N ATOM 624 CA HIS A 44 -22.450 -2.112 19.740 1.00 0.00 C ATOM 625 C HIS A 44 -21.266 -1.191 20.039 1.00 0.00 C ATOM 626 O HIS A 44 -21.214 -0.063 19.552 1.00 0.00 O ATOM 627 CB HIS A 44 -23.712 -1.344 19.342 1.00 0.00 C ATOM 628 CG HIS A 44 -24.248 -1.708 17.978 1.00 0.00 C ATOM 629 ND1 HIS A 44 -23.756 -1.155 16.807 1.00 0.00 N ATOM 630 CD2 HIS A 44 -25.235 -2.574 17.609 1.00 0.00 C ATOM 631 CE1 HIS A 44 -24.426 -1.672 15.788 1.00 0.00 C ATOM 632 NE2 HIS A 44 -25.341 -2.551 16.286 1.00 0.00 N ATOM 0 H HIS A 44 -22.984 -3.920 20.657 1.00 0.00 H new ATOM 0 HA HIS A 44 -22.181 -2.725 18.880 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -24.487 -1.528 20.086 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -23.497 -0.276 19.363 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -25.830 -3.176 18.280 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -24.274 -1.438 14.745 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -25.999 -3.101 15.733 1.00 0.00 H new ATOM 640 N VAL A 45 -20.344 -1.705 20.838 1.00 0.00 N ATOM 641 CA VAL A 45 -19.163 -0.944 21.208 1.00 0.00 C ATOM 642 C VAL A 45 -18.088 -1.125 20.135 1.00 0.00 C ATOM 643 O VAL A 45 -17.226 -0.265 19.963 1.00 0.00 O ATOM 644 CB VAL A 45 -18.691 -1.355 22.603 1.00 0.00 C ATOM 645 CG1 VAL A 45 -17.666 -0.359 23.151 1.00 0.00 C ATOM 646 CG2 VAL A 45 -19.874 -1.507 23.561 1.00 0.00 C ATOM 0 H VAL A 45 -20.391 -2.641 21.240 1.00 0.00 H new ATOM 0 HA VAL A 45 -19.395 0.120 21.259 1.00 0.00 H new ATOM 0 HB VAL A 45 -18.203 -2.326 22.518 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -17.347 -0.675 24.144 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -16.803 -0.323 22.487 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -18.118 0.631 23.213 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -19.510 -1.800 24.546 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -20.404 -0.558 23.638 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -20.552 -2.272 23.183 1.00 0.00 H new ATOM 656 N ASN A 46 -18.174 -2.250 19.441 1.00 0.00 N ATOM 657 CA ASN A 46 -17.219 -2.555 18.388 1.00 0.00 C ATOM 658 C ASN A 46 -17.225 -1.426 17.356 1.00 0.00 C ATOM 659 O ASN A 46 -16.288 -1.293 16.570 1.00 0.00 O ATOM 660 CB ASN A 46 -17.587 -3.854 17.670 1.00 0.00 C ATOM 661 CG ASN A 46 -18.631 -3.601 16.580 1.00 0.00 C ATOM 662 OD1 ASN A 46 -18.349 -3.637 15.394 1.00 0.00 O ATOM 663 ND2 ASN A 46 -19.849 -3.345 17.048 1.00 0.00 N ATOM 0 H ASN A 46 -18.890 -2.962 19.587 1.00 0.00 H new ATOM 0 HA ASN A 46 -16.236 -2.662 18.846 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -16.694 -4.295 17.228 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -17.975 -4.574 18.390 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -20.616 -3.163 16.401 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -20.016 -3.330 18.054 1.00 0.00 H new ATOM 669 N CYS A 47 -18.292 -0.641 17.391 1.00 0.00 N ATOM 670 CA CYS A 47 -18.433 0.473 16.469 1.00 0.00 C ATOM 671 C CYS A 47 -17.770 1.701 17.094 1.00 0.00 C ATOM 672 O CYS A 47 -17.303 2.590 16.382 1.00 0.00 O ATOM 673 CB CYS A 47 -19.900 0.733 16.117 1.00 0.00 C ATOM 674 SG CYS A 47 -20.701 1.699 17.449 1.00 0.00 S ATOM 0 H CYS A 47 -19.067 -0.755 18.044 1.00 0.00 H new ATOM 0 HA CYS A 47 -17.938 0.234 15.528 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -19.966 1.275 15.174 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -20.423 -0.213 15.978 1.00 0.00 H new ATOM 0 HG CYS A 47 -20.637 1.035 18.565 1.00 0.00 H new ATOM 679 N THR A 48 -17.748 1.714 18.419 1.00 0.00 N ATOM 680 CA THR A 48 -17.149 2.818 19.148 1.00 0.00 C ATOM 681 C THR A 48 -15.640 2.610 19.286 1.00 0.00 C ATOM 682 O THR A 48 -14.862 3.549 19.120 1.00 0.00 O ATOM 683 CB THR A 48 -17.871 2.946 20.491 1.00 0.00 C ATOM 684 OG1 THR A 48 -19.198 3.323 20.137 1.00 0.00 O ATOM 685 CG2 THR A 48 -17.357 4.123 21.323 1.00 0.00 C ATOM 0 H THR A 48 -18.136 0.976 19.007 1.00 0.00 H new ATOM 0 HA THR A 48 -17.267 3.758 18.609 1.00 0.00 H new ATOM 0 HB THR A 48 -17.750 2.022 21.057 1.00 0.00 H new ATOM 0 HG1 THR A 48 -19.553 2.690 19.479 1.00 0.00 H new ATOM 0 HG21 THR A 48 -17.903 4.168 22.265 1.00 0.00 H new ATOM 0 HG22 THR A 48 -16.294 3.989 21.525 1.00 0.00 H new ATOM 0 HG23 THR A 48 -17.507 5.051 20.772 1.00 0.00 H new ATOM 693 N ILE A 49 -15.270 1.375 19.590 1.00 0.00 N ATOM 694 CA ILE A 49 -13.868 1.032 19.753 1.00 0.00 C ATOM 695 C ILE A 49 -13.134 1.265 18.432 1.00 0.00 C ATOM 696 O ILE A 49 -12.004 1.752 18.423 1.00 0.00 O ATOM 697 CB ILE A 49 -13.725 -0.393 20.293 1.00 0.00 C ATOM 698 CG1 ILE A 49 -14.029 -1.425 19.206 1.00 0.00 C ATOM 699 CG2 ILE A 49 -14.591 -0.597 21.538 1.00 0.00 C ATOM 700 CD1 ILE A 49 -12.768 -1.784 18.420 1.00 0.00 C ATOM 0 H ILE A 49 -15.917 0.599 19.728 1.00 0.00 H new ATOM 0 HA ILE A 49 -13.401 1.679 20.496 1.00 0.00 H new ATOM 0 HB ILE A 49 -12.688 -0.542 20.595 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -14.446 -2.324 19.660 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -14.785 -1.030 18.527 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -14.471 -1.618 21.901 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -14.283 0.103 22.314 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -15.637 -0.422 21.286 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -13.014 -2.520 17.654 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -12.367 -0.888 17.947 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -12.023 -2.201 19.098 1.00 0.00 H new ATOM 711 N LYS A 50 -13.805 0.904 17.347 1.00 0.00 N ATOM 712 CA LYS A 50 -13.230 1.069 16.022 1.00 0.00 C ATOM 713 C LYS A 50 -12.935 2.550 15.779 1.00 0.00 C ATOM 714 O LYS A 50 -11.781 2.937 15.600 1.00 0.00 O ATOM 715 CB LYS A 50 -14.137 0.440 14.963 1.00 0.00 C ATOM 716 CG LYS A 50 -13.372 -0.588 14.127 1.00 0.00 C ATOM 717 CD LYS A 50 -13.176 -1.890 14.904 1.00 0.00 C ATOM 718 CE LYS A 50 -13.388 -3.106 13.999 1.00 0.00 C ATOM 719 NZ LYS A 50 -12.132 -3.877 13.865 1.00 0.00 N ATOM 0 H LYS A 50 -14.741 0.498 17.359 1.00 0.00 H new ATOM 0 HA LYS A 50 -12.280 0.539 15.950 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -14.988 -0.040 15.446 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -14.537 1.218 14.313 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -13.917 -0.789 13.204 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -12.402 -0.181 13.842 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -12.172 -1.918 15.327 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -13.875 -1.928 15.740 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -14.170 -3.743 14.413 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -13.728 -2.780 13.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -12.207 -4.525 13.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -11.338 -3.223 13.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -11.967 -4.425 14.733 1.00 0.00 H new ATOM 729 N GLU A 51 -13.999 3.340 15.779 1.00 0.00 N ATOM 730 CA GLU A 51 -13.869 4.771 15.560 1.00 0.00 C ATOM 731 C GLU A 51 -12.888 5.375 16.567 1.00 0.00 C ATOM 732 O GLU A 51 -12.390 6.482 16.367 1.00 0.00 O ATOM 733 CB GLU A 51 -15.231 5.464 15.639 1.00 0.00 C ATOM 734 CG GLU A 51 -15.707 5.897 14.252 1.00 0.00 C ATOM 735 CD GLU A 51 -15.661 7.419 14.107 1.00 0.00 C ATOM 736 OE1 GLU A 51 -16.299 8.090 14.946 1.00 0.00 O ATOM 737 OE2 GLU A 51 -14.987 7.878 13.159 1.00 0.00 O ATOM 0 H GLU A 51 -14.955 3.016 15.927 1.00 0.00 H new ATOM 0 HA GLU A 51 -13.474 4.931 14.557 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -15.962 4.788 16.083 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -15.163 6.334 16.292 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -15.080 5.436 13.488 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -16.724 5.543 14.086 1.00 0.00 H new ATOM 742 N LEU A 52 -12.638 4.621 17.628 1.00 0.00 N ATOM 743 CA LEU A 52 -11.725 5.068 18.666 1.00 0.00 C ATOM 744 C LEU A 52 -10.299 5.084 18.112 1.00 0.00 C ATOM 745 O LEU A 52 -9.683 6.144 18.005 1.00 0.00 O ATOM 746 CB LEU A 52 -11.887 4.215 19.925 1.00 0.00 C ATOM 747 CG LEU A 52 -11.938 4.977 21.250 1.00 0.00 C ATOM 748 CD1 LEU A 52 -13.372 5.064 21.777 1.00 0.00 C ATOM 749 CD2 LEU A 52 -10.987 4.357 22.277 1.00 0.00 C ATOM 0 H LEU A 52 -13.052 3.703 17.791 1.00 0.00 H new ATOM 0 HA LEU A 52 -11.961 6.088 18.968 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -12.803 3.631 19.829 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -11.060 3.506 19.968 1.00 0.00 H new ATOM 0 HG LEU A 52 -11.598 5.997 21.071 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -13.381 5.611 22.720 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -13.996 5.584 21.050 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -13.763 4.059 21.937 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -11.043 4.918 23.210 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -11.273 3.321 22.459 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -9.967 4.390 21.895 1.00 0.00 H new ATOM 760 N ARG A 53 -9.816 3.897 17.775 1.00 0.00 N ATOM 761 CA ARG A 53 -8.473 3.762 17.235 1.00 0.00 C ATOM 762 C ARG A 53 -8.483 4.002 15.724 1.00 0.00 C ATOM 763 O ARG A 53 -7.931 4.992 15.246 1.00 0.00 O ATOM 764 CB ARG A 53 -7.903 2.371 17.521 1.00 0.00 C ATOM 765 CG ARG A 53 -6.756 2.042 16.563 1.00 0.00 C ATOM 766 CD ARG A 53 -7.196 1.022 15.511 1.00 0.00 C ATOM 767 NE ARG A 53 -6.037 0.209 15.079 1.00 0.00 N ATOM 768 CZ ARG A 53 -5.193 0.563 14.101 1.00 0.00 C ATOM 769 NH1 ARG A 53 -5.372 1.719 13.447 1.00 0.00 N ATOM 770 NH2 ARG A 53 -4.169 -0.238 13.777 1.00 0.00 N ATOM 0 H ARG A 53 -10.330 3.021 17.865 1.00 0.00 H new ATOM 0 HA ARG A 53 -7.843 4.507 17.720 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -7.547 2.324 18.550 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -8.690 1.624 17.422 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -6.415 2.953 16.071 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -5.909 1.648 17.125 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -7.972 0.375 15.921 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -7.630 1.536 14.653 1.00 0.00 H new ATOM 0 HE ARG A 53 -5.870 -0.677 15.556 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -6.151 2.329 13.694 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -4.729 1.988 12.702 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -4.032 -1.118 14.275 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -3.526 0.032 13.032 1.00 0.00 H new ATOM 781 N ARG A 54 -9.116 3.079 15.015 1.00 0.00 N ATOM 782 CA ARG A 54 -9.204 3.178 13.568 1.00 0.00 C ATOM 783 C ARG A 54 -9.699 4.568 13.160 1.00 0.00 C ATOM 784 O ARG A 54 -9.080 5.232 12.330 1.00 0.00 O ATOM 785 CB ARG A 54 -10.151 2.120 13.000 1.00 0.00 C ATOM 786 CG ARG A 54 -9.679 0.711 13.363 1.00 0.00 C ATOM 787 CD ARG A 54 -8.452 0.314 12.540 1.00 0.00 C ATOM 788 NE ARG A 54 -7.755 -0.821 13.185 1.00 0.00 N ATOM 789 CZ ARG A 54 -6.637 -1.384 12.708 1.00 0.00 C ATOM 790 NH1 ARG A 54 -6.082 -0.922 11.580 1.00 0.00 N ATOM 791 NH2 ARG A 54 -6.073 -2.411 13.360 1.00 0.00 N ATOM 0 H ARG A 54 -9.573 2.259 15.415 1.00 0.00 H new ATOM 0 HA ARG A 54 -8.206 3.011 13.163 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -11.157 2.282 13.387 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -10.207 2.221 11.916 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -9.439 0.667 14.425 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -10.485 -0.002 13.189 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -8.755 0.039 11.530 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -7.775 1.163 12.449 1.00 0.00 H new ATOM 0 HE ARG A 54 -8.150 -1.198 14.046 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -6.511 -0.141 11.083 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -5.231 -1.351 11.218 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -6.495 -2.763 14.219 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -5.222 -2.840 12.997 1.00 0.00 H new ATOM 802 N LEU A 55 -10.809 4.966 13.763 1.00 0.00 N ATOM 803 CA LEU A 55 -11.394 6.264 13.472 1.00 0.00 C ATOM 804 C LEU A 55 -11.808 6.314 12.001 1.00 0.00 C ATOM 805 O LEU A 55 -12.095 7.386 11.469 1.00 0.00 O ATOM 806 CB LEU A 55 -10.438 7.386 13.882 1.00 0.00 C ATOM 807 CG LEU A 55 -11.048 8.520 14.708 1.00 0.00 C ATOM 808 CD1 LEU A 55 -10.212 8.797 15.960 1.00 0.00 C ATOM 809 CD2 LEU A 55 -11.241 9.776 13.857 1.00 0.00 C ATOM 0 H LEU A 55 -11.319 4.413 14.452 1.00 0.00 H new ATOM 0 HA LEU A 55 -12.298 6.416 14.062 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -9.619 6.948 14.452 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -10.004 7.814 12.979 1.00 0.00 H new ATOM 0 HG LEU A 55 -12.036 8.205 15.044 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -10.667 9.607 16.530 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -10.171 7.899 16.576 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -9.202 9.082 15.667 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -11.676 10.567 14.469 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -10.277 10.105 13.471 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -11.908 9.552 13.025 1.00 0.00 H new ATOM 820 N PHE A 56 -11.824 5.142 11.383 1.00 0.00 N ATOM 821 CA PHE A 56 -12.197 5.040 9.983 1.00 0.00 C ATOM 822 C PHE A 56 -12.957 3.739 9.711 1.00 0.00 C ATOM 823 O PHE A 56 -13.894 3.718 8.915 1.00 0.00 O ATOM 824 CB PHE A 56 -10.899 5.038 9.172 1.00 0.00 C ATOM 825 CG PHE A 56 -10.260 6.418 9.018 1.00 0.00 C ATOM 826 CD1 PHE A 56 -10.966 7.436 8.455 1.00 0.00 C ATOM 827 CD2 PHE A 56 -8.985 6.630 9.442 1.00 0.00 C ATOM 828 CE1 PHE A 56 -10.373 8.718 8.311 1.00 0.00 C ATOM 829 CE2 PHE A 56 -8.392 7.911 9.299 1.00 0.00 C ATOM 830 CZ PHE A 56 -9.097 8.928 8.736 1.00 0.00 C ATOM 0 H PHE A 56 -11.585 4.255 11.826 1.00 0.00 H new ATOM 0 HA PHE A 56 -12.846 5.872 9.710 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -10.184 4.369 9.652 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -11.102 4.630 8.182 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -11.978 7.269 8.117 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -8.424 5.822 9.888 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -10.934 9.526 7.865 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -7.380 8.078 9.638 1.00 0.00 H new ATOM 0 HZ PHE A 56 -8.645 9.903 8.626 1.00 0.00 H new ATOM 839 N LEU A 57 -12.523 2.686 10.389 1.00 0.00 N ATOM 840 CA LEU A 57 -13.149 1.385 10.231 1.00 0.00 C ATOM 841 C LEU A 57 -14.605 1.465 10.697 1.00 0.00 C ATOM 842 O LEU A 57 -15.507 0.982 10.014 1.00 0.00 O ATOM 843 CB LEU A 57 -12.334 0.307 10.946 1.00 0.00 C ATOM 844 CG LEU A 57 -12.188 -1.025 10.207 1.00 0.00 C ATOM 845 CD1 LEU A 57 -10.889 -1.731 10.600 1.00 0.00 C ATOM 846 CD2 LEU A 57 -13.414 -1.913 10.431 1.00 0.00 C ATOM 0 H LEU A 57 -11.745 2.708 11.049 1.00 0.00 H new ATOM 0 HA LEU A 57 -13.164 1.095 9.180 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -11.337 0.703 11.141 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -12.795 0.114 11.915 1.00 0.00 H new ATOM 0 HG LEU A 57 -12.131 -0.818 9.138 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -10.810 -2.675 10.061 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -10.039 -1.097 10.347 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -10.891 -1.925 11.673 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -13.285 -2.853 9.895 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -13.527 -2.115 11.496 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -14.304 -1.404 10.061 1.00 0.00 H new ATOM 857 N VAL A 58 -14.789 2.078 11.857 1.00 0.00 N ATOM 858 CA VAL A 58 -16.119 2.227 12.423 1.00 0.00 C ATOM 859 C VAL A 58 -16.880 0.908 12.281 1.00 0.00 C ATOM 860 O VAL A 58 -17.481 0.642 11.241 1.00 0.00 O ATOM 861 CB VAL A 58 -16.839 3.406 11.764 1.00 0.00 C ATOM 862 CG1 VAL A 58 -16.804 3.286 10.239 1.00 0.00 C ATOM 863 CG2 VAL A 58 -18.276 3.524 12.272 1.00 0.00 C ATOM 0 H VAL A 58 -14.039 2.478 12.421 1.00 0.00 H new ATOM 0 HA VAL A 58 -16.058 2.454 13.487 1.00 0.00 H new ATOM 0 HB VAL A 58 -16.311 4.318 12.040 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -17.322 4.136 9.795 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -15.769 3.274 9.899 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -17.296 2.362 9.935 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -18.765 4.369 11.788 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -18.820 2.609 12.040 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -18.269 3.678 13.351 1.00 0.00 H new ATOM 873 N ASP A 59 -16.829 0.116 13.342 1.00 0.00 N ATOM 874 CA ASP A 59 -17.506 -1.170 13.348 1.00 0.00 C ATOM 875 C ASP A 59 -17.271 -1.872 12.009 1.00 0.00 C ATOM 876 O ASP A 59 -18.009 -1.650 11.050 1.00 0.00 O ATOM 877 CB ASP A 59 -19.015 -0.997 13.534 1.00 0.00 C ATOM 878 CG ASP A 59 -19.876 -2.072 12.866 1.00 0.00 C ATOM 879 OD1 ASP A 59 -19.490 -3.256 12.972 1.00 0.00 O ATOM 880 OD2 ASP A 59 -20.900 -1.684 12.264 1.00 0.00 O ATOM 0 H ASP A 59 -16.330 0.340 14.203 1.00 0.00 H new ATOM 0 HA ASP A 59 -17.106 -1.758 14.174 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -19.236 -0.987 14.601 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -19.305 -0.023 13.140 1.00 0.00 H new ATOM 884 N ASP A 60 -16.241 -2.705 11.987 1.00 0.00 N ATOM 885 CA ASP A 60 -15.901 -3.441 10.781 1.00 0.00 C ATOM 886 C ASP A 60 -16.104 -2.538 9.563 1.00 0.00 C ATOM 887 O ASP A 60 -16.070 -1.315 9.680 1.00 0.00 O ATOM 888 CB ASP A 60 -16.797 -4.670 10.614 1.00 0.00 C ATOM 889 CG ASP A 60 -16.156 -5.840 9.866 1.00 0.00 C ATOM 890 OD1 ASP A 60 -14.924 -5.998 10.008 1.00 0.00 O ATOM 891 OD2 ASP A 60 -16.913 -6.551 9.169 1.00 0.00 O ATOM 0 H ASP A 60 -15.631 -2.887 12.784 1.00 0.00 H new ATOM 0 HA ASP A 60 -14.862 -3.761 10.863 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -17.104 -5.014 11.602 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -17.702 -4.372 10.085 1.00 0.00 H new