USER MOD reduce.3.24.130724 H: found=0, std=0, add=545, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 545 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 60 GLN : amide:sc= -1.85! K(o=-1.8!,f=-2.3) USER MOD Set 1.2: A 64 GLN : amide:sc= 0.0447 K(o=-1.8,f=-2.3) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 150:sc= -0.162 USER MOD Single : A 10 THR OG1 : rot 26:sc= 0.916 USER MOD Single : A 16 MET CE :methyl 165:sc= -0.02 (180deg=-0.281) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 CYS SG : rot 180:sc= -0.35 USER MOD Single : A 19 GLN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 20 SER OG : rot 180:sc= -0.137 USER MOD Single : A 21 CYS SG : rot -24:sc= -2.24! USER MOD Single : A 23 LYS NZ :NH3+ 165:sc= -0.0151 (180deg=-0.223) USER MOD Single : A 24 SER OG : rot 76:sc= 0.269 USER MOD Single : A 30 SER OG : rot -94:sc= 1.21 USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 167:sc= -0.0188 (180deg=-0.21) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl -158:sc= -0.0667 (180deg=-0.501) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -0.138 X(o=-0.14,f=-0.21) USER MOD Single : A 46 SER OG : rot 22:sc= 0.0442 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ -164:sc= -0.456 (180deg=-0.833) USER MOD Single : A 51 TYR OH : rot 180:sc= -0.0578 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot 180:sc= -1.47! USER MOD Single : A 59 GLN : amide:sc= -0.0645 K(o=-0.065,f=-0.66) USER MOD Single : A 62 CYS SG : rot 180:sc= 0 USER MOD Single : A 63 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 71 N VAL A 6 5.176 -9.941 -2.206 1.00 0.00 N ATOM 72 CA VAL A 6 4.265 -9.031 -1.529 1.00 0.00 C ATOM 73 C VAL A 6 4.989 -7.722 -1.233 1.00 0.00 C ATOM 74 O VAL A 6 6.046 -7.714 -0.603 1.00 0.00 O ATOM 75 CB VAL A 6 3.693 -9.650 -0.217 1.00 0.00 C ATOM 76 CG1 VAL A 6 4.808 -10.074 0.734 1.00 0.00 C ATOM 77 CG2 VAL A 6 2.742 -8.675 0.468 1.00 0.00 C ATOM 0 HA VAL A 6 3.417 -8.842 -2.187 1.00 0.00 H new ATOM 0 HB VAL A 6 3.134 -10.545 -0.490 1.00 0.00 H new ATOM 0 HG11 VAL A 6 4.373 -10.501 1.638 1.00 0.00 H new ATOM 0 HG12 VAL A 6 5.438 -10.819 0.247 1.00 0.00 H new ATOM 0 HG13 VAL A 6 5.411 -9.205 0.997 1.00 0.00 H new ATOM 0 HG21 VAL A 6 2.354 -9.126 1.381 1.00 0.00 H new ATOM 0 HG22 VAL A 6 3.277 -7.758 0.715 1.00 0.00 H new ATOM 0 HG23 VAL A 6 1.914 -8.443 -0.202 1.00 0.00 H new ATOM 87 N ALA A 7 4.420 -6.627 -1.665 1.00 0.00 N ATOM 88 CA ALA A 7 5.087 -5.355 -1.551 1.00 0.00 C ATOM 89 C ALA A 7 4.450 -4.467 -0.513 1.00 0.00 C ATOM 90 O ALA A 7 3.221 -4.342 -0.441 1.00 0.00 O ATOM 91 CB ALA A 7 5.113 -4.652 -2.900 1.00 0.00 C ATOM 0 H ALA A 7 3.497 -6.589 -2.099 1.00 0.00 H new ATOM 0 HA ALA A 7 6.108 -5.553 -1.225 1.00 0.00 H new ATOM 0 HB1 ALA A 7 5.620 -3.692 -2.800 1.00 0.00 H new ATOM 0 HB2 ALA A 7 5.646 -5.270 -3.622 1.00 0.00 H new ATOM 0 HB3 ALA A 7 4.092 -4.489 -3.245 1.00 0.00 H new ATOM 97 N THR A 8 5.290 -3.866 0.299 1.00 0.00 N ATOM 98 CA THR A 8 4.856 -2.907 1.273 1.00 0.00 C ATOM 99 C THR A 8 5.604 -1.616 1.057 1.00 0.00 C ATOM 100 O THR A 8 6.803 -1.625 0.755 1.00 0.00 O ATOM 101 CB THR A 8 5.101 -3.396 2.717 1.00 0.00 C ATOM 102 OG1 THR A 8 6.490 -3.727 2.893 1.00 0.00 O ATOM 103 CG2 THR A 8 4.249 -4.612 3.035 1.00 0.00 C ATOM 0 H THR A 8 6.296 -4.034 0.297 1.00 0.00 H new ATOM 0 HA THR A 8 3.783 -2.762 1.147 1.00 0.00 H new ATOM 0 HB THR A 8 4.824 -2.591 3.397 1.00 0.00 H new ATOM 0 HG1 THR A 8 6.639 -4.035 3.811 1.00 0.00 H new ATOM 0 HG21 THR A 8 4.442 -4.934 4.058 1.00 0.00 H new ATOM 0 HG22 THR A 8 3.195 -4.356 2.928 1.00 0.00 H new ATOM 0 HG23 THR A 8 4.497 -5.420 2.347 1.00 0.00 H new ATOM 111 N SER A 9 4.919 -0.523 1.201 1.00 0.00 N ATOM 112 CA SER A 9 5.519 0.768 1.018 1.00 0.00 C ATOM 113 C SER A 9 4.710 1.817 1.729 1.00 0.00 C ATOM 114 O SER A 9 3.582 1.550 2.169 1.00 0.00 O ATOM 115 CB SER A 9 5.628 1.098 -0.478 1.00 0.00 C ATOM 116 OG SER A 9 4.347 1.176 -1.083 1.00 0.00 O ATOM 0 H SER A 9 3.930 -0.498 1.448 1.00 0.00 H new ATOM 0 HA SER A 9 6.523 0.753 1.442 1.00 0.00 H new ATOM 0 HB2 SER A 9 6.152 2.045 -0.606 1.00 0.00 H new ATOM 0 HB3 SER A 9 6.223 0.334 -0.979 1.00 0.00 H new ATOM 0 HG SER A 9 4.375 1.814 -1.827 1.00 0.00 H new ATOM 122 N THR A 10 5.268 2.990 1.876 1.00 0.00 N ATOM 123 CA THR A 10 4.536 4.069 2.449 1.00 0.00 C ATOM 124 C THR A 10 4.252 5.088 1.380 1.00 0.00 C ATOM 125 O THR A 10 4.995 5.193 0.433 1.00 0.00 O ATOM 126 CB THR A 10 5.281 4.696 3.642 1.00 0.00 C ATOM 127 OG1 THR A 10 6.693 4.739 3.374 1.00 0.00 O ATOM 128 CG2 THR A 10 5.020 3.907 4.917 1.00 0.00 C ATOM 0 H THR A 10 6.225 3.214 1.605 1.00 0.00 H new ATOM 0 HA THR A 10 3.594 3.688 2.843 1.00 0.00 H new ATOM 0 HB THR A 10 4.911 5.712 3.782 1.00 0.00 H new ATOM 0 HG1 THR A 10 6.841 4.768 2.406 1.00 0.00 H new ATOM 0 HG21 THR A 10 5.556 4.368 5.746 1.00 0.00 H new ATOM 0 HG22 THR A 10 3.951 3.906 5.132 1.00 0.00 H new ATOM 0 HG23 THR A 10 5.365 2.881 4.787 1.00 0.00 H new ATOM 136 N VAL A 11 3.151 5.772 1.481 1.00 0.00 N ATOM 137 CA VAL A 11 2.804 6.782 0.504 1.00 0.00 C ATOM 138 C VAL A 11 2.404 8.066 1.199 1.00 0.00 C ATOM 139 O VAL A 11 1.540 8.057 2.076 1.00 0.00 O ATOM 140 CB VAL A 11 1.652 6.310 -0.418 1.00 0.00 C ATOM 141 CG1 VAL A 11 1.274 7.391 -1.423 1.00 0.00 C ATOM 142 CG2 VAL A 11 2.022 5.019 -1.140 1.00 0.00 C ATOM 0 H VAL A 11 2.470 5.654 2.231 1.00 0.00 H new ATOM 0 HA VAL A 11 3.684 6.959 -0.114 1.00 0.00 H new ATOM 0 HB VAL A 11 0.786 6.113 0.213 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.463 7.031 -2.056 1.00 0.00 H new ATOM 0 HG12 VAL A 11 0.949 8.285 -0.891 1.00 0.00 H new ATOM 0 HG13 VAL A 11 2.139 7.631 -2.042 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.196 4.710 -1.780 1.00 0.00 H new ATOM 0 HG22 VAL A 11 2.911 5.185 -1.749 1.00 0.00 H new ATOM 0 HG23 VAL A 11 2.225 4.238 -0.407 1.00 0.00 H new ATOM 152 N ARG A 12 3.033 9.159 0.822 1.00 0.00 N ATOM 153 CA ARG A 12 2.714 10.440 1.408 1.00 0.00 C ATOM 154 C ARG A 12 1.581 11.065 0.622 1.00 0.00 C ATOM 155 O ARG A 12 1.503 10.898 -0.597 1.00 0.00 O ATOM 156 CB ARG A 12 3.939 11.367 1.411 1.00 0.00 C ATOM 157 CG ARG A 12 4.351 11.868 0.037 1.00 0.00 C ATOM 158 CD ARG A 12 5.636 12.673 0.100 1.00 0.00 C ATOM 159 NE ARG A 12 6.015 13.202 -1.212 1.00 0.00 N ATOM 160 CZ ARG A 12 7.207 13.733 -1.491 1.00 0.00 C ATOM 161 NH1 ARG A 12 8.138 13.807 -0.553 1.00 0.00 N ATOM 162 NH2 ARG A 12 7.463 14.194 -2.711 1.00 0.00 N ATOM 0 H ARG A 12 3.767 9.185 0.114 1.00 0.00 H new ATOM 0 HA ARG A 12 2.411 10.295 2.445 1.00 0.00 H new ATOM 0 HB2 ARG A 12 3.728 12.225 2.049 1.00 0.00 H new ATOM 0 HB3 ARG A 12 4.780 10.836 1.858 1.00 0.00 H new ATOM 0 HG2 ARG A 12 4.484 11.021 -0.635 1.00 0.00 H new ATOM 0 HG3 ARG A 12 3.555 12.484 -0.380 1.00 0.00 H new ATOM 0 HD2 ARG A 12 5.513 13.498 0.802 1.00 0.00 H new ATOM 0 HD3 ARG A 12 6.440 12.044 0.484 1.00 0.00 H new ATOM 0 HE ARG A 12 5.323 13.162 -1.961 1.00 0.00 H new ATOM 0 HH11 ARG A 12 7.945 13.458 0.386 1.00 0.00 H new ATOM 0 HH12 ARG A 12 9.048 14.213 -0.769 1.00 0.00 H new ATOM 0 HH21 ARG A 12 6.748 14.142 -3.436 1.00 0.00 H new ATOM 0 HH22 ARG A 12 8.375 14.600 -2.922 1.00 0.00 H new ATOM 176 N ILE A 13 0.710 11.768 1.295 1.00 0.00 N ATOM 177 CA ILE A 13 -0.402 12.390 0.623 1.00 0.00 C ATOM 178 C ILE A 13 -0.514 13.860 0.994 1.00 0.00 C ATOM 179 O ILE A 13 -0.459 14.228 2.172 1.00 0.00 O ATOM 180 CB ILE A 13 -1.738 11.652 0.924 1.00 0.00 C ATOM 181 CG1 ILE A 13 -2.907 12.318 0.193 1.00 0.00 C ATOM 182 CG2 ILE A 13 -2.008 11.582 2.425 1.00 0.00 C ATOM 183 CD1 ILE A 13 -2.816 12.236 -1.316 1.00 0.00 C ATOM 0 H ILE A 13 0.747 11.925 2.302 1.00 0.00 H new ATOM 0 HA ILE A 13 -0.212 12.318 -0.448 1.00 0.00 H new ATOM 0 HB ILE A 13 -1.642 10.631 0.555 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -3.838 11.852 0.517 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -2.957 13.366 0.487 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -2.949 11.060 2.602 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -1.197 11.044 2.916 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -2.071 12.592 2.831 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -3.680 12.730 -1.760 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -1.904 12.728 -1.653 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -2.799 11.190 -1.623 1.00 0.00 H new ATOM 195 N LEU A 14 -0.629 14.694 -0.012 1.00 0.00 N ATOM 196 CA LEU A 14 -0.783 16.112 0.183 1.00 0.00 C ATOM 197 C LEU A 14 -1.967 16.608 -0.625 1.00 0.00 C ATOM 198 O LEU A 14 -2.033 16.399 -1.844 1.00 0.00 O ATOM 199 CB LEU A 14 0.494 16.847 -0.224 1.00 0.00 C ATOM 200 CG LEU A 14 0.466 18.368 -0.076 1.00 0.00 C ATOM 201 CD1 LEU A 14 0.240 18.767 1.375 1.00 0.00 C ATOM 202 CD2 LEU A 14 1.756 18.966 -0.595 1.00 0.00 C ATOM 0 H LEU A 14 -0.618 14.406 -0.990 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.966 16.312 1.239 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.319 16.459 0.373 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.712 16.607 -1.265 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.364 18.756 -0.666 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.224 19.854 1.455 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.712 18.364 1.719 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.046 18.370 1.991 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.725 20.050 -0.485 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.596 18.567 -0.027 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.877 18.712 -1.648 1.00 0.00 H new ATOM 214 N GLY A 15 -2.901 17.245 0.041 1.00 0.00 N ATOM 215 CA GLY A 15 -4.074 17.721 -0.634 1.00 0.00 C ATOM 216 C GLY A 15 -4.839 18.712 0.192 1.00 0.00 C ATOM 217 O GLY A 15 -4.460 18.996 1.325 1.00 0.00 O ATOM 0 H GLY A 15 -2.868 17.442 1.041 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -3.786 18.183 -1.578 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -4.720 16.877 -0.876 1.00 0.00 H new ATOM 221 N MET A 16 -5.899 19.268 -0.377 1.00 0.00 N ATOM 222 CA MET A 16 -6.733 20.227 0.338 1.00 0.00 C ATOM 223 C MET A 16 -7.365 19.589 1.575 1.00 0.00 C ATOM 224 O MET A 16 -7.329 20.157 2.668 1.00 0.00 O ATOM 225 CB MET A 16 -7.819 20.782 -0.583 1.00 0.00 C ATOM 226 CG MET A 16 -8.719 21.813 0.080 1.00 0.00 C ATOM 227 SD MET A 16 -7.814 23.266 0.645 1.00 0.00 S ATOM 228 CE MET A 16 -7.353 24.007 -0.920 1.00 0.00 C ATOM 0 H MET A 16 -6.203 19.073 -1.331 1.00 0.00 H new ATOM 0 HA MET A 16 -6.096 21.049 0.665 1.00 0.00 H new ATOM 0 HB2 MET A 16 -7.346 21.233 -1.455 1.00 0.00 H new ATOM 0 HB3 MET A 16 -8.433 19.957 -0.944 1.00 0.00 H new ATOM 0 HG2 MET A 16 -9.491 22.122 -0.625 1.00 0.00 H new ATOM 0 HG3 MET A 16 -9.227 21.354 0.928 1.00 0.00 H new ATOM 0 HE1 MET A 16 -7.027 25.034 -0.754 1.00 0.00 H new ATOM 0 HE2 MET A 16 -6.540 23.436 -1.368 1.00 0.00 H new ATOM 0 HE3 MET A 16 -8.212 24.003 -1.591 1.00 0.00 H new ATOM 238 N THR A 17 -7.942 18.411 1.399 1.00 0.00 N ATOM 239 CA THR A 17 -8.541 17.691 2.502 1.00 0.00 C ATOM 240 C THR A 17 -8.044 16.245 2.518 1.00 0.00 C ATOM 241 O THR A 17 -8.161 15.526 1.517 1.00 0.00 O ATOM 242 CB THR A 17 -10.081 17.719 2.406 1.00 0.00 C ATOM 243 OG1 THR A 17 -10.527 19.081 2.360 1.00 0.00 O ATOM 244 CG2 THR A 17 -10.718 17.026 3.604 1.00 0.00 C ATOM 0 H THR A 17 -8.006 17.935 0.499 1.00 0.00 H new ATOM 0 HA THR A 17 -8.246 18.181 3.430 1.00 0.00 H new ATOM 0 HB THR A 17 -10.379 17.190 1.501 1.00 0.00 H new ATOM 0 HG1 THR A 17 -11.505 19.103 2.297 1.00 0.00 H new ATOM 0 HG21 THR A 17 -11.803 17.061 3.510 1.00 0.00 H new ATOM 0 HG22 THR A 17 -10.390 15.987 3.640 1.00 0.00 H new ATOM 0 HG23 THR A 17 -10.417 17.534 4.520 1.00 0.00 H new ATOM 252 N CYS A 18 -7.497 15.829 3.650 1.00 0.00 N ATOM 253 CA CYS A 18 -6.959 14.485 3.811 1.00 0.00 C ATOM 254 C CYS A 18 -8.056 13.422 3.667 1.00 0.00 C ATOM 255 O CYS A 18 -7.873 12.409 2.993 1.00 0.00 O ATOM 256 CB CYS A 18 -6.255 14.357 5.165 1.00 0.00 C ATOM 257 SG CYS A 18 -5.422 12.778 5.435 1.00 0.00 S ATOM 0 H CYS A 18 -7.413 16.412 4.483 1.00 0.00 H new ATOM 0 HA CYS A 18 -6.231 14.314 3.018 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -5.522 15.159 5.256 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -6.989 14.505 5.957 1.00 0.00 H new ATOM 0 HG CYS A 18 -4.860 12.779 6.607 1.00 0.00 H new ATOM 263 N GLN A 19 -9.203 13.668 4.281 1.00 0.00 N ATOM 264 CA GLN A 19 -10.303 12.711 4.238 1.00 0.00 C ATOM 265 C GLN A 19 -10.785 12.475 2.808 1.00 0.00 C ATOM 266 O GLN A 19 -11.097 11.347 2.433 1.00 0.00 O ATOM 267 CB GLN A 19 -11.470 13.175 5.106 1.00 0.00 C ATOM 268 CG GLN A 19 -11.185 13.140 6.596 1.00 0.00 C ATOM 269 CD GLN A 19 -12.317 13.723 7.415 1.00 0.00 C ATOM 270 OE1 GLN A 19 -13.051 14.599 6.953 1.00 0.00 O ATOM 271 NE2 GLN A 19 -12.466 13.247 8.631 1.00 0.00 N ATOM 0 H GLN A 19 -9.398 14.516 4.813 1.00 0.00 H new ATOM 0 HA GLN A 19 -9.922 11.769 4.633 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -11.738 14.193 4.822 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -12.336 12.547 4.898 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -11.010 12.110 6.905 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -10.269 13.694 6.801 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -11.837 12.522 8.975 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -13.211 13.603 9.230 1.00 0.00 H new ATOM 280 N SER A 20 -10.824 13.536 2.013 1.00 0.00 N ATOM 281 CA SER A 20 -11.313 13.450 0.645 1.00 0.00 C ATOM 282 C SER A 20 -10.479 12.477 -0.199 1.00 0.00 C ATOM 283 O SER A 20 -11.032 11.655 -0.931 1.00 0.00 O ATOM 284 CB SER A 20 -11.301 14.835 0.003 1.00 0.00 C ATOM 285 OG SER A 20 -12.164 15.720 0.693 1.00 0.00 O ATOM 0 H SER A 20 -10.522 14.469 2.294 1.00 0.00 H new ATOM 0 HA SER A 20 -12.333 13.068 0.680 1.00 0.00 H new ATOM 0 HB2 SER A 20 -10.286 15.233 0.007 1.00 0.00 H new ATOM 0 HB3 SER A 20 -11.609 14.759 -1.040 1.00 0.00 H new ATOM 0 HG SER A 20 -12.139 16.601 0.265 1.00 0.00 H new ATOM 291 N CYS A 21 -9.156 12.550 -0.078 1.00 0.00 N ATOM 292 CA CYS A 21 -8.286 11.671 -0.851 1.00 0.00 C ATOM 293 C CYS A 21 -8.368 10.235 -0.351 1.00 0.00 C ATOM 294 O CYS A 21 -8.343 9.290 -1.145 1.00 0.00 O ATOM 295 CB CYS A 21 -6.842 12.175 -0.834 1.00 0.00 C ATOM 296 SG CYS A 21 -6.124 12.343 0.807 1.00 0.00 S ATOM 0 H CYS A 21 -8.669 13.200 0.539 1.00 0.00 H new ATOM 0 HA CYS A 21 -8.635 11.684 -1.884 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -6.226 11.491 -1.417 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -6.803 13.143 -1.334 1.00 0.00 H new ATOM 0 HG CYS A 21 -7.072 12.507 1.681 1.00 0.00 H new ATOM 302 N VAL A 22 -8.493 10.077 0.965 1.00 0.00 N ATOM 303 CA VAL A 22 -8.613 8.760 1.567 1.00 0.00 C ATOM 304 C VAL A 22 -9.888 8.087 1.082 1.00 0.00 C ATOM 305 O VAL A 22 -9.888 6.913 0.719 1.00 0.00 O ATOM 306 CB VAL A 22 -8.612 8.840 3.116 1.00 0.00 C ATOM 307 CG1 VAL A 22 -8.929 7.485 3.735 1.00 0.00 C ATOM 308 CG2 VAL A 22 -7.271 9.352 3.618 1.00 0.00 C ATOM 0 H VAL A 22 -8.513 10.849 1.632 1.00 0.00 H new ATOM 0 HA VAL A 22 -7.749 8.170 1.263 1.00 0.00 H new ATOM 0 HB VAL A 22 -9.391 9.540 3.419 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -8.922 7.571 4.822 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -9.914 7.155 3.404 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -8.179 6.758 3.423 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -7.285 9.403 4.707 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -6.480 8.675 3.297 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -7.085 10.346 3.211 1.00 0.00 H new ATOM 318 N LYS A 23 -10.968 8.844 1.069 1.00 0.00 N ATOM 319 CA LYS A 23 -12.246 8.333 0.591 1.00 0.00 C ATOM 320 C LYS A 23 -12.173 7.989 -0.891 1.00 0.00 C ATOM 321 O LYS A 23 -12.700 6.965 -1.330 1.00 0.00 O ATOM 322 CB LYS A 23 -13.358 9.349 0.829 1.00 0.00 C ATOM 323 CG LYS A 23 -13.713 9.542 2.291 1.00 0.00 C ATOM 324 CD LYS A 23 -14.773 10.616 2.466 1.00 0.00 C ATOM 325 CE LYS A 23 -16.103 10.202 1.849 1.00 0.00 C ATOM 326 NZ LYS A 23 -16.673 9.004 2.514 1.00 0.00 N ATOM 0 H LYS A 23 -10.990 9.814 1.383 1.00 0.00 H new ATOM 0 HA LYS A 23 -12.471 7.426 1.152 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -13.056 10.308 0.409 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -14.249 9.031 0.288 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -14.074 8.601 2.707 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -12.819 9.816 2.851 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -14.912 10.820 3.528 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -14.431 11.543 2.005 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -16.810 11.028 1.922 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -15.962 9.996 0.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -17.674 8.903 2.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -16.149 8.158 2.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -16.596 9.110 3.546 1.00 0.00 H new ATOM 340 N SER A 24 -11.495 8.842 -1.652 1.00 0.00 N ATOM 341 CA SER A 24 -11.374 8.654 -3.086 1.00 0.00 C ATOM 342 C SER A 24 -10.647 7.355 -3.417 1.00 0.00 C ATOM 343 O SER A 24 -11.094 6.589 -4.267 1.00 0.00 O ATOM 344 CB SER A 24 -10.648 9.842 -3.713 1.00 0.00 C ATOM 345 OG SER A 24 -11.389 11.038 -3.536 1.00 0.00 O ATOM 0 H SER A 24 -11.021 9.671 -1.294 1.00 0.00 H new ATOM 0 HA SER A 24 -12.379 8.590 -3.503 1.00 0.00 H new ATOM 0 HB2 SER A 24 -9.662 9.950 -3.262 1.00 0.00 H new ATOM 0 HB3 SER A 24 -10.494 9.659 -4.776 1.00 0.00 H new ATOM 0 HG SER A 24 -11.288 11.352 -2.613 1.00 0.00 H new ATOM 351 N ILE A 25 -9.550 7.089 -2.724 1.00 0.00 N ATOM 352 CA ILE A 25 -8.803 5.871 -2.968 1.00 0.00 C ATOM 353 C ILE A 25 -9.570 4.653 -2.462 1.00 0.00 C ATOM 354 O ILE A 25 -9.528 3.590 -3.074 1.00 0.00 O ATOM 355 CB ILE A 25 -7.374 5.912 -2.343 1.00 0.00 C ATOM 356 CG1 ILE A 25 -6.549 4.702 -2.806 1.00 0.00 C ATOM 357 CG2 ILE A 25 -7.429 5.972 -0.822 1.00 0.00 C ATOM 358 CD1 ILE A 25 -5.102 4.738 -2.357 1.00 0.00 C ATOM 0 H ILE A 25 -9.164 7.693 -1.998 1.00 0.00 H new ATOM 0 HA ILE A 25 -8.680 5.789 -4.048 1.00 0.00 H new ATOM 0 HB ILE A 25 -6.886 6.822 -2.692 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -7.014 3.791 -2.428 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -6.580 4.648 -3.894 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -6.415 5.999 -0.422 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -7.966 6.869 -0.512 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -7.945 5.091 -0.442 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -4.585 3.851 -2.723 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -4.619 5.630 -2.757 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -5.059 4.760 -1.268 1.00 0.00 H new ATOM 370 N GLU A 26 -10.311 4.837 -1.368 1.00 0.00 N ATOM 371 CA GLU A 26 -11.052 3.751 -0.738 1.00 0.00 C ATOM 372 C GLU A 26 -12.081 3.137 -1.686 1.00 0.00 C ATOM 373 O GLU A 26 -12.136 1.918 -1.838 1.00 0.00 O ATOM 374 CB GLU A 26 -11.743 4.261 0.536 1.00 0.00 C ATOM 375 CG GLU A 26 -12.590 3.220 1.256 1.00 0.00 C ATOM 376 CD GLU A 26 -11.799 2.000 1.673 1.00 0.00 C ATOM 377 OE1 GLU A 26 -10.917 2.124 2.544 1.00 0.00 O ATOM 378 OE2 GLU A 26 -12.064 0.909 1.140 1.00 0.00 O ATOM 0 H GLU A 26 -10.412 5.737 -0.899 1.00 0.00 H new ATOM 0 HA GLU A 26 -10.339 2.968 -0.479 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -10.982 4.630 1.224 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -12.376 5.109 0.276 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -13.040 3.674 2.139 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -13.407 2.911 0.605 1.00 0.00 H new ATOM 385 N ASP A 27 -12.871 3.973 -2.345 1.00 0.00 N ATOM 386 CA ASP A 27 -13.910 3.468 -3.250 1.00 0.00 C ATOM 387 C ASP A 27 -13.319 2.663 -4.400 1.00 0.00 C ATOM 388 O ASP A 27 -13.771 1.554 -4.693 1.00 0.00 O ATOM 389 CB ASP A 27 -14.760 4.617 -3.812 1.00 0.00 C ATOM 390 CG ASP A 27 -15.656 5.258 -2.774 1.00 0.00 C ATOM 391 OD1 ASP A 27 -16.547 4.561 -2.242 1.00 0.00 O ATOM 392 OD2 ASP A 27 -15.489 6.467 -2.498 1.00 0.00 O ATOM 0 H ASP A 27 -12.820 4.989 -2.277 1.00 0.00 H new ATOM 0 HA ASP A 27 -14.545 2.808 -2.659 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -14.101 5.376 -4.232 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -15.374 4.240 -4.630 1.00 0.00 H new ATOM 397 N ARG A 28 -12.284 3.201 -5.020 1.00 0.00 N ATOM 398 CA ARG A 28 -11.671 2.547 -6.169 1.00 0.00 C ATOM 399 C ARG A 28 -10.918 1.283 -5.765 1.00 0.00 C ATOM 400 O ARG A 28 -11.016 0.240 -6.433 1.00 0.00 O ATOM 401 CB ARG A 28 -10.733 3.507 -6.924 1.00 0.00 C ATOM 402 CG ARG A 28 -11.447 4.604 -7.727 1.00 0.00 C ATOM 403 CD ARG A 28 -12.146 5.603 -6.819 1.00 0.00 C ATOM 404 NE ARG A 28 -12.651 6.772 -7.536 1.00 0.00 N ATOM 405 CZ ARG A 28 -13.304 7.787 -6.951 1.00 0.00 C ATOM 406 NH1 ARG A 28 -13.503 7.783 -5.633 1.00 0.00 N ATOM 407 NH2 ARG A 28 -13.742 8.805 -7.680 1.00 0.00 N ATOM 0 H ARG A 28 -11.850 4.084 -4.751 1.00 0.00 H new ATOM 0 HA ARG A 28 -12.481 2.257 -6.838 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -10.064 3.980 -6.205 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -10.111 2.925 -7.604 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -10.723 5.126 -8.353 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -12.177 4.148 -8.396 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -12.975 5.108 -6.314 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -11.451 5.930 -6.046 1.00 0.00 H new ATOM 0 HE ARG A 28 -12.497 6.819 -8.543 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -13.158 7.007 -5.068 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -14.000 8.556 -5.190 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -13.582 8.817 -8.687 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -14.238 9.576 -7.233 1.00 0.00 H new ATOM 421 N ILE A 29 -10.195 1.352 -4.655 1.00 0.00 N ATOM 422 CA ILE A 29 -9.405 0.222 -4.229 1.00 0.00 C ATOM 423 C ILE A 29 -10.291 -0.913 -3.735 1.00 0.00 C ATOM 424 O ILE A 29 -10.036 -2.061 -4.036 1.00 0.00 O ATOM 425 CB ILE A 29 -8.334 0.599 -3.161 1.00 0.00 C ATOM 426 CG1 ILE A 29 -7.304 -0.520 -3.035 1.00 0.00 C ATOM 427 CG2 ILE A 29 -8.971 0.886 -1.802 1.00 0.00 C ATOM 428 CD1 ILE A 29 -6.120 -0.155 -2.179 1.00 0.00 C ATOM 0 H ILE A 29 -10.144 2.169 -4.046 1.00 0.00 H new ATOM 0 HA ILE A 29 -8.860 -0.122 -5.108 1.00 0.00 H new ATOM 0 HB ILE A 29 -7.837 1.511 -3.493 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -7.787 -1.402 -2.615 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -6.952 -0.793 -4.030 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -8.194 1.145 -1.083 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -9.670 1.717 -1.896 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -9.504 0.001 -1.456 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -5.430 -0.997 -2.134 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -5.612 0.708 -2.610 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -6.460 0.089 -1.173 1.00 0.00 H new ATOM 440 N SER A 30 -11.359 -0.579 -3.007 1.00 0.00 N ATOM 441 CA SER A 30 -12.280 -1.595 -2.513 1.00 0.00 C ATOM 442 C SER A 30 -13.004 -2.267 -3.671 1.00 0.00 C ATOM 443 O SER A 30 -13.401 -3.435 -3.582 1.00 0.00 O ATOM 444 CB SER A 30 -13.266 -1.000 -1.505 1.00 0.00 C ATOM 445 OG SER A 30 -14.037 0.039 -2.084 1.00 0.00 O ATOM 0 H SER A 30 -11.603 0.378 -2.751 1.00 0.00 H new ATOM 0 HA SER A 30 -11.702 -2.358 -1.991 1.00 0.00 H new ATOM 0 HB2 SER A 30 -13.928 -1.783 -1.136 1.00 0.00 H new ATOM 0 HB3 SER A 30 -12.720 -0.613 -0.645 1.00 0.00 H new ATOM 0 HG SER A 30 -13.613 0.903 -1.899 1.00 0.00 H new ATOM 451 N ASN A 31 -13.169 -1.521 -4.764 1.00 0.00 N ATOM 452 CA ASN A 31 -13.759 -2.065 -5.974 1.00 0.00 C ATOM 453 C ASN A 31 -12.817 -3.096 -6.590 1.00 0.00 C ATOM 454 O ASN A 31 -13.252 -4.041 -7.249 1.00 0.00 O ATOM 455 CB ASN A 31 -14.057 -0.948 -6.980 1.00 0.00 C ATOM 456 CG ASN A 31 -14.690 -1.467 -8.258 1.00 0.00 C ATOM 457 OD1 ASN A 31 -15.888 -1.747 -8.303 1.00 0.00 O ATOM 458 ND2 ASN A 31 -13.894 -1.593 -9.300 1.00 0.00 N ATOM 0 H ASN A 31 -12.900 -0.539 -4.830 1.00 0.00 H new ATOM 0 HA ASN A 31 -14.700 -2.551 -5.717 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -14.723 -0.218 -6.520 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -13.131 -0.427 -7.223 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -14.265 -1.934 -10.187 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -12.907 -1.350 -9.220 1.00 0.00 H new ATOM 465 N LEU A 32 -11.529 -2.911 -6.358 1.00 0.00 N ATOM 466 CA LEU A 32 -10.525 -3.841 -6.844 1.00 0.00 C ATOM 467 C LEU A 32 -10.317 -4.980 -5.846 1.00 0.00 C ATOM 468 O LEU A 32 -9.933 -4.757 -4.699 1.00 0.00 O ATOM 469 CB LEU A 32 -9.202 -3.112 -7.092 1.00 0.00 C ATOM 470 CG LEU A 32 -8.034 -3.986 -7.552 1.00 0.00 C ATOM 471 CD1 LEU A 32 -8.356 -4.667 -8.869 1.00 0.00 C ATOM 472 CD2 LEU A 32 -6.771 -3.155 -7.675 1.00 0.00 C ATOM 0 H LEU A 32 -11.153 -2.121 -5.834 1.00 0.00 H new ATOM 0 HA LEU A 32 -10.877 -4.264 -7.785 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -9.370 -2.340 -7.842 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -8.911 -2.605 -6.172 1.00 0.00 H new ATOM 0 HG LEU A 32 -7.869 -4.760 -6.803 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -7.511 -5.283 -9.176 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -9.238 -5.296 -8.747 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -8.551 -3.912 -9.631 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.948 -3.790 -8.003 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.928 -2.360 -8.403 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -6.528 -2.717 -6.707 1.00 0.00 H new ATOM 484 N LYS A 33 -10.588 -6.191 -6.284 1.00 0.00 N ATOM 485 CA LYS A 33 -10.417 -7.366 -5.447 1.00 0.00 C ATOM 486 C LYS A 33 -8.938 -7.755 -5.389 1.00 0.00 C ATOM 487 O LYS A 33 -8.225 -7.639 -6.390 1.00 0.00 O ATOM 488 CB LYS A 33 -11.261 -8.525 -5.986 1.00 0.00 C ATOM 489 CG LYS A 33 -11.331 -9.726 -5.059 1.00 0.00 C ATOM 490 CD LYS A 33 -12.241 -10.805 -5.623 1.00 0.00 C ATOM 491 CE LYS A 33 -12.380 -11.975 -4.661 1.00 0.00 C ATOM 492 NZ LYS A 33 -13.060 -11.583 -3.399 1.00 0.00 N ATOM 0 H LYS A 33 -10.931 -6.391 -7.223 1.00 0.00 H new ATOM 0 HA LYS A 33 -10.755 -7.137 -4.436 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -12.273 -8.166 -6.175 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -10.851 -8.843 -6.945 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -10.331 -10.132 -4.910 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -11.697 -9.413 -4.081 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -13.225 -10.382 -5.828 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -11.842 -11.159 -6.573 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -12.943 -12.775 -5.142 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -11.392 -12.374 -4.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -13.331 -12.437 -2.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -12.414 -11.009 -2.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -13.912 -11.029 -3.621 1.00 0.00 H new ATOM 506 N GLY A 34 -8.482 -8.213 -4.231 1.00 0.00 N ATOM 507 CA GLY A 34 -7.085 -8.574 -4.090 1.00 0.00 C ATOM 508 C GLY A 34 -6.357 -7.721 -3.067 1.00 0.00 C ATOM 509 O GLY A 34 -5.130 -7.783 -2.958 1.00 0.00 O ATOM 0 H GLY A 34 -9.049 -8.340 -3.393 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -7.013 -9.622 -3.800 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -6.590 -8.476 -5.056 1.00 0.00 H new ATOM 513 N ILE A 35 -7.105 -6.913 -2.327 1.00 0.00 N ATOM 514 CA ILE A 35 -6.517 -6.066 -1.295 1.00 0.00 C ATOM 515 C ILE A 35 -6.048 -6.912 -0.125 1.00 0.00 C ATOM 516 O ILE A 35 -6.824 -7.682 0.442 1.00 0.00 O ATOM 517 CB ILE A 35 -7.534 -5.037 -0.748 1.00 0.00 C ATOM 518 CG1 ILE A 35 -8.026 -4.113 -1.850 1.00 0.00 C ATOM 519 CG2 ILE A 35 -6.926 -4.225 0.395 1.00 0.00 C ATOM 520 CD1 ILE A 35 -9.144 -3.204 -1.399 1.00 0.00 C ATOM 0 H ILE A 35 -8.117 -6.826 -2.421 1.00 0.00 H new ATOM 0 HA ILE A 35 -5.682 -5.541 -1.758 1.00 0.00 H new ATOM 0 HB ILE A 35 -8.389 -5.591 -0.361 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -7.194 -3.507 -2.208 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -8.369 -4.712 -2.693 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -7.660 -3.508 0.763 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -6.637 -4.896 1.204 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -6.047 -3.691 0.034 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -9.453 -2.568 -2.229 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -9.991 -3.805 -1.068 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -8.797 -2.581 -0.575 1.00 0.00 H new ATOM 532 N ILE A 36 -4.788 -6.776 0.232 1.00 0.00 N ATOM 533 CA ILE A 36 -4.263 -7.495 1.368 1.00 0.00 C ATOM 534 C ILE A 36 -4.477 -6.678 2.638 1.00 0.00 C ATOM 535 O ILE A 36 -5.214 -7.089 3.536 1.00 0.00 O ATOM 536 CB ILE A 36 -2.760 -7.818 1.199 1.00 0.00 C ATOM 537 CG1 ILE A 36 -2.515 -8.595 -0.104 1.00 0.00 C ATOM 538 CG2 ILE A 36 -2.240 -8.600 2.395 1.00 0.00 C ATOM 539 CD1 ILE A 36 -3.256 -9.919 -0.184 1.00 0.00 C ATOM 0 H ILE A 36 -4.114 -6.178 -0.246 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.799 -8.441 1.441 1.00 0.00 H new ATOM 0 HB ILE A 36 -2.214 -6.876 1.143 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.813 -7.972 -0.948 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.446 -8.782 -0.208 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -1.181 -8.817 2.255 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -2.373 -8.010 3.302 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.793 -9.535 2.487 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.030 -10.405 -1.133 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -2.941 -10.562 0.637 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.329 -9.740 -0.114 1.00 0.00 H new ATOM 551 N SER A 37 -3.840 -5.514 2.707 1.00 0.00 N ATOM 552 CA SER A 37 -4.010 -4.631 3.842 1.00 0.00 C ATOM 553 C SER A 37 -3.558 -3.214 3.499 1.00 0.00 C ATOM 554 O SER A 37 -2.553 -3.021 2.806 1.00 0.00 O ATOM 555 CB SER A 37 -3.225 -5.159 5.051 1.00 0.00 C ATOM 556 OG SER A 37 -3.422 -4.338 6.196 1.00 0.00 O ATOM 0 H SER A 37 -3.204 -5.166 1.990 1.00 0.00 H new ATOM 0 HA SER A 37 -5.070 -4.602 4.095 1.00 0.00 H new ATOM 0 HB2 SER A 37 -3.539 -6.179 5.274 1.00 0.00 H new ATOM 0 HB3 SER A 37 -2.163 -5.199 4.808 1.00 0.00 H new ATOM 0 HG SER A 37 -2.911 -4.700 6.950 1.00 0.00 H new ATOM 562 N MET A 38 -4.301 -2.235 3.970 1.00 0.00 N ATOM 563 CA MET A 38 -3.939 -0.848 3.786 1.00 0.00 C ATOM 564 C MET A 38 -4.176 -0.098 5.081 1.00 0.00 C ATOM 565 O MET A 38 -5.267 -0.154 5.648 1.00 0.00 O ATOM 566 CB MET A 38 -4.752 -0.217 2.642 1.00 0.00 C ATOM 567 CG MET A 38 -4.367 1.233 2.313 1.00 0.00 C ATOM 568 SD MET A 38 -5.072 2.457 3.441 1.00 0.00 S ATOM 569 CE MET A 38 -6.807 2.335 3.028 1.00 0.00 C ATOM 0 H MET A 38 -5.168 -2.378 4.488 1.00 0.00 H new ATOM 0 HA MET A 38 -2.885 -0.786 3.517 1.00 0.00 H new ATOM 0 HB2 MET A 38 -4.627 -0.825 1.746 1.00 0.00 H new ATOM 0 HB3 MET A 38 -5.810 -0.248 2.904 1.00 0.00 H new ATOM 0 HG2 MET A 38 -3.281 1.322 2.330 1.00 0.00 H new ATOM 0 HG3 MET A 38 -4.690 1.462 1.297 1.00 0.00 H new ATOM 0 HE1 MET A 38 -7.317 3.252 3.323 1.00 0.00 H new ATOM 0 HE2 MET A 38 -6.916 2.189 1.953 1.00 0.00 H new ATOM 0 HE3 MET A 38 -7.248 1.489 3.555 1.00 0.00 H new ATOM 579 N LYS A 39 -3.162 0.584 5.554 1.00 0.00 N ATOM 580 CA LYS A 39 -3.279 1.351 6.766 1.00 0.00 C ATOM 581 C LYS A 39 -2.873 2.784 6.502 1.00 0.00 C ATOM 582 O LYS A 39 -1.721 3.063 6.193 1.00 0.00 O ATOM 583 CB LYS A 39 -2.398 0.745 7.869 1.00 0.00 C ATOM 584 CG LYS A 39 -2.448 1.496 9.197 1.00 0.00 C ATOM 585 CD LYS A 39 -3.841 1.461 9.810 1.00 0.00 C ATOM 586 CE LYS A 39 -3.871 2.162 11.160 1.00 0.00 C ATOM 587 NZ LYS A 39 -5.227 2.148 11.763 1.00 0.00 N ATOM 0 H LYS A 39 -2.242 0.622 5.114 1.00 0.00 H new ATOM 0 HA LYS A 39 -4.316 1.329 7.102 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -2.705 -0.287 8.037 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -1.366 0.717 7.519 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -1.733 1.055 9.892 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -2.144 2.531 9.042 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -4.550 1.939 9.134 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -4.162 0.426 9.928 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -3.168 1.676 11.837 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -3.538 3.193 11.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -5.204 2.636 12.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -5.894 2.634 11.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -5.535 1.164 11.901 1.00 0.00 H new ATOM 601 N VAL A 40 -3.807 3.689 6.639 1.00 0.00 N ATOM 602 CA VAL A 40 -3.523 5.082 6.416 1.00 0.00 C ATOM 603 C VAL A 40 -3.390 5.811 7.741 1.00 0.00 C ATOM 604 O VAL A 40 -4.294 5.784 8.577 1.00 0.00 O ATOM 605 CB VAL A 40 -4.604 5.762 5.518 1.00 0.00 C ATOM 606 CG1 VAL A 40 -6.005 5.580 6.093 1.00 0.00 C ATOM 607 CG2 VAL A 40 -4.291 7.241 5.318 1.00 0.00 C ATOM 0 H VAL A 40 -4.771 3.486 6.904 1.00 0.00 H new ATOM 0 HA VAL A 40 -2.575 5.144 5.881 1.00 0.00 H new ATOM 0 HB VAL A 40 -4.579 5.270 4.545 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -6.732 6.066 5.442 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -6.234 4.517 6.163 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -6.052 6.027 7.086 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -5.058 7.693 4.689 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -4.272 7.743 6.285 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -3.319 7.345 4.836 1.00 0.00 H new ATOM 617 N SER A 41 -2.252 6.429 7.948 1.00 0.00 N ATOM 618 CA SER A 41 -2.020 7.166 9.153 1.00 0.00 C ATOM 619 C SER A 41 -2.303 8.634 8.911 1.00 0.00 C ATOM 620 O SER A 41 -1.481 9.357 8.345 1.00 0.00 O ATOM 621 CB SER A 41 -0.588 6.955 9.632 1.00 0.00 C ATOM 622 OG SER A 41 -0.329 5.577 9.834 1.00 0.00 O ATOM 0 H SER A 41 -1.473 6.432 7.290 1.00 0.00 H new ATOM 0 HA SER A 41 -2.690 6.807 9.934 1.00 0.00 H new ATOM 0 HB2 SER A 41 0.110 7.358 8.898 1.00 0.00 H new ATOM 0 HB3 SER A 41 -0.425 7.501 10.561 1.00 0.00 H new ATOM 0 HG SER A 41 0.595 5.459 10.140 1.00 0.00 H new ATOM 628 N LEU A 42 -3.475 9.057 9.331 1.00 0.00 N ATOM 629 CA LEU A 42 -3.926 10.421 9.150 1.00 0.00 C ATOM 630 C LEU A 42 -3.028 11.370 9.923 1.00 0.00 C ATOM 631 O LEU A 42 -2.702 12.459 9.456 1.00 0.00 O ATOM 632 CB LEU A 42 -5.373 10.553 9.632 1.00 0.00 C ATOM 633 CG LEU A 42 -6.407 9.722 8.861 1.00 0.00 C ATOM 634 CD1 LEU A 42 -7.780 9.857 9.492 1.00 0.00 C ATOM 635 CD2 LEU A 42 -6.452 10.132 7.399 1.00 0.00 C ATOM 0 H LEU A 42 -4.148 8.460 9.812 1.00 0.00 H new ATOM 0 HA LEU A 42 -3.879 10.678 8.092 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -5.414 10.267 10.683 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.662 11.603 9.575 1.00 0.00 H new ATOM 0 HG LEU A 42 -6.104 8.676 8.912 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -8.499 9.260 8.930 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -7.743 9.505 10.523 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -8.086 10.903 9.477 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -7.193 9.528 6.874 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -6.724 11.185 7.325 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -5.472 9.977 6.947 1.00 0.00 H new ATOM 647 N GLU A 43 -2.629 10.937 11.108 1.00 0.00 N ATOM 648 CA GLU A 43 -1.754 11.718 11.967 1.00 0.00 C ATOM 649 C GLU A 43 -0.386 11.926 11.312 1.00 0.00 C ATOM 650 O GLU A 43 0.203 13.002 11.406 1.00 0.00 O ATOM 651 CB GLU A 43 -1.589 11.008 13.312 1.00 0.00 C ATOM 652 CG GLU A 43 -2.861 10.970 14.144 1.00 0.00 C ATOM 653 CD GLU A 43 -2.699 10.188 15.428 1.00 0.00 C ATOM 654 OE1 GLU A 43 -2.756 8.946 15.382 1.00 0.00 O ATOM 655 OE2 GLU A 43 -2.524 10.810 16.493 1.00 0.00 O ATOM 0 H GLU A 43 -2.902 10.036 11.501 1.00 0.00 H new ATOM 0 HA GLU A 43 -2.206 12.697 12.125 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -1.251 9.987 13.135 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -0.807 11.508 13.883 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -3.165 11.990 14.381 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -3.663 10.527 13.553 1.00 0.00 H new ATOM 662 N GLN A 44 0.118 10.884 10.666 1.00 0.00 N ATOM 663 CA GLN A 44 1.417 10.942 10.000 1.00 0.00 C ATOM 664 C GLN A 44 1.342 11.692 8.664 1.00 0.00 C ATOM 665 O GLN A 44 2.310 12.331 8.241 1.00 0.00 O ATOM 666 CB GLN A 44 1.959 9.527 9.774 1.00 0.00 C ATOM 667 CG GLN A 44 3.401 9.486 9.284 1.00 0.00 C ATOM 668 CD GLN A 44 4.365 10.131 10.262 1.00 0.00 C ATOM 669 OE1 GLN A 44 4.641 11.327 10.181 1.00 0.00 O ATOM 670 NE2 GLN A 44 4.879 9.347 11.188 1.00 0.00 N ATOM 0 H GLN A 44 -0.354 9.983 10.587 1.00 0.00 H new ATOM 0 HA GLN A 44 2.095 11.492 10.653 1.00 0.00 H new ATOM 0 HB2 GLN A 44 1.887 8.968 10.707 1.00 0.00 H new ATOM 0 HB3 GLN A 44 1.325 9.018 9.048 1.00 0.00 H new ATOM 0 HG2 GLN A 44 3.696 8.450 9.118 1.00 0.00 H new ATOM 0 HG3 GLN A 44 3.469 9.995 8.322 1.00 0.00 H new ATOM 0 HE21 GLN A 44 4.623 8.360 11.220 1.00 0.00 H new ATOM 0 HE22 GLN A 44 5.532 9.727 11.873 1.00 0.00 H new ATOM 679 N GLY A 45 0.188 11.629 8.016 1.00 0.00 N ATOM 680 CA GLY A 45 0.055 12.219 6.697 1.00 0.00 C ATOM 681 C GLY A 45 0.664 11.310 5.646 1.00 0.00 C ATOM 682 O GLY A 45 1.001 11.745 4.538 1.00 0.00 O ATOM 0 H GLY A 45 -0.655 11.183 8.376 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -0.998 12.390 6.473 1.00 0.00 H new ATOM 0 HA3 GLY A 45 0.547 13.191 6.675 1.00 0.00 H new ATOM 686 N SER A 46 0.803 10.042 6.013 1.00 0.00 N ATOM 687 CA SER A 46 1.395 9.028 5.168 1.00 0.00 C ATOM 688 C SER A 46 0.703 7.690 5.440 1.00 0.00 C ATOM 689 O SER A 46 0.210 7.455 6.548 1.00 0.00 O ATOM 690 CB SER A 46 2.904 8.926 5.455 1.00 0.00 C ATOM 691 OG SER A 46 3.540 7.970 4.622 1.00 0.00 O ATOM 0 H SER A 46 0.501 9.690 6.921 1.00 0.00 H new ATOM 0 HA SER A 46 1.263 9.293 4.119 1.00 0.00 H new ATOM 0 HB2 SER A 46 3.368 9.901 5.307 1.00 0.00 H new ATOM 0 HB3 SER A 46 3.057 8.655 6.500 1.00 0.00 H new ATOM 0 HG SER A 46 2.995 7.820 3.821 1.00 0.00 H new ATOM 697 N ALA A 47 0.643 6.837 4.442 1.00 0.00 N ATOM 698 CA ALA A 47 -0.030 5.557 4.578 1.00 0.00 C ATOM 699 C ALA A 47 0.923 4.391 4.346 1.00 0.00 C ATOM 700 O ALA A 47 1.866 4.498 3.580 1.00 0.00 O ATOM 701 CB ALA A 47 -1.199 5.476 3.610 1.00 0.00 C ATOM 0 H ALA A 47 1.052 7.004 3.523 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.400 5.484 5.601 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -1.697 4.512 3.720 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -1.906 6.277 3.826 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.833 5.581 2.588 1.00 0.00 H new ATOM 707 N THR A 48 0.662 3.289 5.021 1.00 0.00 N ATOM 708 CA THR A 48 1.434 2.071 4.868 1.00 0.00 C ATOM 709 C THR A 48 0.577 1.058 4.129 1.00 0.00 C ATOM 710 O THR A 48 -0.538 0.745 4.558 1.00 0.00 O ATOM 711 CB THR A 48 1.826 1.497 6.248 1.00 0.00 C ATOM 712 OG1 THR A 48 2.581 2.474 6.976 1.00 0.00 O ATOM 713 CG2 THR A 48 2.660 0.229 6.095 1.00 0.00 C ATOM 0 H THR A 48 -0.098 3.213 5.697 1.00 0.00 H new ATOM 0 HA THR A 48 2.347 2.286 4.313 1.00 0.00 H new ATOM 0 HB THR A 48 0.913 1.250 6.789 1.00 0.00 H new ATOM 0 HG1 THR A 48 2.828 2.110 7.852 1.00 0.00 H new ATOM 0 HG21 THR A 48 2.923 -0.155 7.081 1.00 0.00 H new ATOM 0 HG22 THR A 48 2.084 -0.522 5.555 1.00 0.00 H new ATOM 0 HG23 THR A 48 3.570 0.457 5.540 1.00 0.00 H new ATOM 721 N VAL A 49 1.080 0.547 3.033 1.00 0.00 N ATOM 722 CA VAL A 49 0.306 -0.361 2.222 1.00 0.00 C ATOM 723 C VAL A 49 0.973 -1.718 2.111 1.00 0.00 C ATOM 724 O VAL A 49 2.197 -1.830 2.186 1.00 0.00 O ATOM 725 CB VAL A 49 0.067 0.214 0.804 1.00 0.00 C ATOM 726 CG1 VAL A 49 -0.697 1.528 0.874 1.00 0.00 C ATOM 727 CG2 VAL A 49 1.379 0.398 0.056 1.00 0.00 C ATOM 0 H VAL A 49 2.018 0.743 2.682 1.00 0.00 H new ATOM 0 HA VAL A 49 -0.655 -0.485 2.721 1.00 0.00 H new ATOM 0 HB VAL A 49 -0.537 -0.506 0.252 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -0.853 1.912 -0.134 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.662 1.363 1.353 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.124 2.252 1.454 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.179 0.803 -0.936 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.018 1.088 0.607 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.881 -0.565 -0.040 1.00 0.00 H new ATOM 737 N LYS A 50 0.155 -2.743 1.969 1.00 0.00 N ATOM 738 CA LYS A 50 0.624 -4.103 1.815 1.00 0.00 C ATOM 739 C LYS A 50 -0.240 -4.808 0.779 1.00 0.00 C ATOM 740 O LYS A 50 -1.398 -5.133 1.045 1.00 0.00 O ATOM 741 CB LYS A 50 0.550 -4.823 3.173 1.00 0.00 C ATOM 742 CG LYS A 50 1.049 -6.262 3.176 1.00 0.00 C ATOM 743 CD LYS A 50 1.023 -6.834 4.591 1.00 0.00 C ATOM 744 CE LYS A 50 1.538 -8.266 4.644 1.00 0.00 C ATOM 745 NZ LYS A 50 0.646 -9.214 3.936 1.00 0.00 N ATOM 0 H LYS A 50 -0.861 -2.653 1.957 1.00 0.00 H new ATOM 0 HA LYS A 50 1.660 -4.113 1.475 1.00 0.00 H new ATOM 0 HB2 LYS A 50 1.130 -4.253 3.899 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.485 -4.814 3.514 1.00 0.00 H new ATOM 0 HG2 LYS A 50 0.426 -6.870 2.520 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.064 -6.302 2.780 1.00 0.00 H new ATOM 0 HD2 LYS A 50 1.629 -6.208 5.245 1.00 0.00 H new ATOM 0 HD3 LYS A 50 0.003 -6.802 4.975 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.533 -8.308 4.201 1.00 0.00 H new ATOM 0 HE3 LYS A 50 1.639 -8.575 5.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 0.878 -10.187 4.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -0.344 -9.008 4.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.777 -9.113 2.909 1.00 0.00 H new ATOM 759 N TYR A 51 0.311 -5.023 -0.403 1.00 0.00 N ATOM 760 CA TYR A 51 -0.435 -5.650 -1.489 1.00 0.00 C ATOM 761 C TYR A 51 0.437 -6.641 -2.212 1.00 0.00 C ATOM 762 O TYR A 51 1.660 -6.607 -2.087 1.00 0.00 O ATOM 763 CB TYR A 51 -0.905 -4.611 -2.520 1.00 0.00 C ATOM 764 CG TYR A 51 -1.638 -3.426 -1.952 1.00 0.00 C ATOM 765 CD1 TYR A 51 -2.870 -3.565 -1.329 1.00 0.00 C ATOM 766 CD2 TYR A 51 -1.088 -2.160 -2.041 1.00 0.00 C ATOM 767 CE1 TYR A 51 -3.526 -2.466 -0.812 1.00 0.00 C ATOM 768 CE2 TYR A 51 -1.735 -1.066 -1.530 1.00 0.00 C ATOM 769 CZ TYR A 51 -2.949 -1.219 -0.917 1.00 0.00 C ATOM 770 OH TYR A 51 -3.590 -0.124 -0.405 1.00 0.00 O ATOM 0 H TYR A 51 1.272 -4.774 -0.639 1.00 0.00 H new ATOM 0 HA TYR A 51 -1.299 -6.142 -1.041 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -0.036 -4.250 -3.070 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -1.554 -5.107 -3.241 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -3.320 -4.543 -1.248 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -0.130 -2.032 -2.523 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -4.485 -2.583 -0.329 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -1.289 -0.086 -1.611 1.00 0.00 H new ATOM 0 HH TYR A 51 -3.047 0.676 -0.562 1.00 0.00 H new ATOM 780 N VAL A 52 -0.183 -7.530 -2.954 1.00 0.00 N ATOM 781 CA VAL A 52 0.558 -8.423 -3.805 1.00 0.00 C ATOM 782 C VAL A 52 0.750 -7.732 -5.151 1.00 0.00 C ATOM 783 O VAL A 52 -0.213 -7.554 -5.905 1.00 0.00 O ATOM 784 CB VAL A 52 -0.186 -9.765 -4.017 1.00 0.00 C ATOM 785 CG1 VAL A 52 0.614 -10.687 -4.922 1.00 0.00 C ATOM 786 CG2 VAL A 52 -0.461 -10.439 -2.682 1.00 0.00 C ATOM 0 H VAL A 52 -1.195 -7.651 -2.983 1.00 0.00 H new ATOM 0 HA VAL A 52 1.514 -8.651 -3.334 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.139 -9.553 -4.501 1.00 0.00 H new ATOM 0 HG11 VAL A 52 0.073 -11.623 -5.057 1.00 0.00 H new ATOM 0 HG12 VAL A 52 0.760 -10.209 -5.891 1.00 0.00 H new ATOM 0 HG13 VAL A 52 1.584 -10.891 -4.468 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -0.984 -11.380 -2.851 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.482 -10.634 -2.172 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.078 -9.786 -2.065 1.00 0.00 H new ATOM 796 N PRO A 53 1.994 -7.334 -5.478 1.00 0.00 N ATOM 797 CA PRO A 53 2.287 -6.588 -6.704 1.00 0.00 C ATOM 798 C PRO A 53 1.997 -7.395 -7.952 1.00 0.00 C ATOM 799 O PRO A 53 1.771 -6.836 -9.023 1.00 0.00 O ATOM 800 CB PRO A 53 3.779 -6.265 -6.591 1.00 0.00 C ATOM 801 CG PRO A 53 4.314 -7.283 -5.653 1.00 0.00 C ATOM 802 CD PRO A 53 3.209 -7.580 -4.685 1.00 0.00 C ATOM 0 HA PRO A 53 1.663 -5.699 -6.797 1.00 0.00 H new ATOM 0 HB2 PRO A 53 4.272 -6.323 -7.562 1.00 0.00 H new ATOM 0 HB3 PRO A 53 3.938 -5.255 -6.213 1.00 0.00 H new ATOM 0 HG2 PRO A 53 4.616 -8.184 -6.187 1.00 0.00 H new ATOM 0 HG3 PRO A 53 5.196 -6.909 -5.134 1.00 0.00 H new ATOM 0 HD2 PRO A 53 3.254 -8.608 -4.325 1.00 0.00 H new ATOM 0 HD3 PRO A 53 3.256 -6.933 -3.809 1.00 0.00 H new ATOM 810 N SER A 54 2.007 -8.711 -7.811 1.00 0.00 N ATOM 811 CA SER A 54 1.696 -9.588 -8.913 1.00 0.00 C ATOM 812 C SER A 54 0.248 -9.354 -9.366 1.00 0.00 C ATOM 813 O SER A 54 -0.041 -9.299 -10.561 1.00 0.00 O ATOM 814 CB SER A 54 1.890 -11.043 -8.482 1.00 0.00 C ATOM 815 OG SER A 54 3.240 -11.287 -8.100 1.00 0.00 O ATOM 0 H SER A 54 2.229 -9.190 -6.938 1.00 0.00 H new ATOM 0 HA SER A 54 2.364 -9.376 -9.748 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.226 -11.271 -7.648 1.00 0.00 H new ATOM 0 HB3 SER A 54 1.614 -11.708 -9.300 1.00 0.00 H new ATOM 0 HG SER A 54 3.339 -12.223 -7.827 1.00 0.00 H new ATOM 821 N VAL A 55 -0.650 -9.201 -8.392 1.00 0.00 N ATOM 822 CA VAL A 55 -2.057 -8.940 -8.671 1.00 0.00 C ATOM 823 C VAL A 55 -2.263 -7.492 -9.120 1.00 0.00 C ATOM 824 O VAL A 55 -2.909 -7.225 -10.137 1.00 0.00 O ATOM 825 CB VAL A 55 -2.939 -9.223 -7.427 1.00 0.00 C ATOM 826 CG1 VAL A 55 -4.396 -8.854 -7.692 1.00 0.00 C ATOM 827 CG2 VAL A 55 -2.824 -10.681 -7.012 1.00 0.00 C ATOM 0 H VAL A 55 -0.423 -9.254 -7.399 1.00 0.00 H new ATOM 0 HA VAL A 55 -2.358 -9.612 -9.475 1.00 0.00 H new ATOM 0 HB VAL A 55 -2.578 -8.600 -6.609 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -4.992 -9.063 -6.803 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -4.465 -7.793 -7.934 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -4.774 -9.442 -8.528 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -3.450 -10.861 -6.138 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -3.154 -11.320 -7.832 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.786 -10.909 -6.769 1.00 0.00 H new ATOM 837 N VAL A 56 -1.688 -6.564 -8.369 1.00 0.00 N ATOM 838 CA VAL A 56 -1.831 -5.148 -8.660 1.00 0.00 C ATOM 839 C VAL A 56 -0.564 -4.381 -8.280 1.00 0.00 C ATOM 840 O VAL A 56 0.055 -4.657 -7.255 1.00 0.00 O ATOM 841 CB VAL A 56 -3.061 -4.543 -7.922 1.00 0.00 C ATOM 842 CG1 VAL A 56 -2.940 -4.714 -6.411 1.00 0.00 C ATOM 843 CG2 VAL A 56 -3.243 -3.077 -8.285 1.00 0.00 C ATOM 0 H VAL A 56 -1.116 -6.769 -7.550 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.990 -5.050 -9.734 1.00 0.00 H new ATOM 0 HB VAL A 56 -3.946 -5.089 -8.250 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -3.814 -4.281 -5.925 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -2.878 -5.775 -6.169 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -2.041 -4.208 -6.058 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -4.108 -2.676 -7.757 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -2.352 -2.518 -7.998 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -3.399 -2.985 -9.360 1.00 0.00 H new ATOM 853 N CYS A 57 -0.177 -3.438 -9.116 1.00 0.00 N ATOM 854 CA CYS A 57 1.005 -2.641 -8.863 1.00 0.00 C ATOM 855 C CYS A 57 0.693 -1.469 -7.925 1.00 0.00 C ATOM 856 O CYS A 57 -0.446 -0.981 -7.866 1.00 0.00 O ATOM 857 CB CYS A 57 1.586 -2.135 -10.183 1.00 0.00 C ATOM 858 SG CYS A 57 0.444 -1.126 -11.149 1.00 0.00 S ATOM 0 H CYS A 57 -0.667 -3.205 -9.980 1.00 0.00 H new ATOM 0 HA CYS A 57 1.745 -3.271 -8.370 1.00 0.00 H new ATOM 0 HB2 CYS A 57 2.482 -1.551 -9.973 1.00 0.00 H new ATOM 0 HB3 CYS A 57 1.896 -2.990 -10.783 1.00 0.00 H new ATOM 0 HG CYS A 57 1.026 -0.743 -12.247 1.00 0.00 H new ATOM 864 N LEU A 58 1.713 -1.018 -7.209 1.00 0.00 N ATOM 865 CA LEU A 58 1.588 0.090 -6.268 1.00 0.00 C ATOM 866 C LEU A 58 1.276 1.390 -7.002 1.00 0.00 C ATOM 867 O LEU A 58 0.500 2.220 -6.524 1.00 0.00 O ATOM 868 CB LEU A 58 2.879 0.243 -5.456 1.00 0.00 C ATOM 869 CG LEU A 58 3.222 -0.923 -4.522 1.00 0.00 C ATOM 870 CD1 LEU A 58 4.584 -0.711 -3.882 1.00 0.00 C ATOM 871 CD2 LEU A 58 2.151 -1.089 -3.455 1.00 0.00 C ATOM 0 H LEU A 58 2.653 -1.410 -7.263 1.00 0.00 H new ATOM 0 HA LEU A 58 0.764 -0.130 -5.589 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.708 0.384 -6.150 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.805 1.152 -4.859 1.00 0.00 H new ATOM 0 HG LEU A 58 3.259 -1.837 -5.115 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.810 -1.549 -3.222 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.345 -0.645 -4.659 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.575 0.213 -3.304 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.413 -1.922 -2.803 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.080 -0.175 -2.866 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.191 -1.290 -3.931 1.00 0.00 H new ATOM 883 N GLN A 59 1.881 1.548 -8.173 1.00 0.00 N ATOM 884 CA GLN A 59 1.718 2.752 -8.981 1.00 0.00 C ATOM 885 C GLN A 59 0.252 2.973 -9.367 1.00 0.00 C ATOM 886 O GLN A 59 -0.237 4.100 -9.339 1.00 0.00 O ATOM 887 CB GLN A 59 2.586 2.662 -10.237 1.00 0.00 C ATOM 888 CG GLN A 59 2.559 3.913 -11.105 1.00 0.00 C ATOM 889 CD GLN A 59 3.101 5.131 -10.384 1.00 0.00 C ATOM 890 OE1 GLN A 59 3.978 5.021 -9.528 1.00 0.00 O ATOM 891 NE2 GLN A 59 2.590 6.294 -10.725 1.00 0.00 N ATOM 0 H GLN A 59 2.496 0.849 -8.589 1.00 0.00 H new ATOM 0 HA GLN A 59 2.038 3.605 -8.382 1.00 0.00 H new ATOM 0 HB2 GLN A 59 3.615 2.461 -9.940 1.00 0.00 H new ATOM 0 HB3 GLN A 59 2.255 1.812 -10.834 1.00 0.00 H new ATOM 0 HG2 GLN A 59 3.145 3.738 -12.007 1.00 0.00 H new ATOM 0 HG3 GLN A 59 1.535 4.109 -11.423 1.00 0.00 H new ATOM 0 HE21 GLN A 59 1.864 6.342 -11.440 1.00 0.00 H new ATOM 0 HE22 GLN A 59 2.920 7.148 -10.275 1.00 0.00 H new ATOM 900 N GLN A 60 -0.445 1.895 -9.713 1.00 0.00 N ATOM 901 CA GLN A 60 -1.856 1.987 -10.081 1.00 0.00 C ATOM 902 C GLN A 60 -2.662 2.505 -8.895 1.00 0.00 C ATOM 903 O GLN A 60 -3.553 3.342 -9.046 1.00 0.00 O ATOM 904 CB GLN A 60 -2.372 0.610 -10.548 1.00 0.00 C ATOM 905 CG GLN A 60 -3.803 0.599 -11.095 1.00 0.00 C ATOM 906 CD GLN A 60 -4.876 0.547 -10.013 1.00 0.00 C ATOM 907 OE1 GLN A 60 -5.967 1.081 -10.184 1.00 0.00 O ATOM 908 NE2 GLN A 60 -4.580 -0.108 -8.904 1.00 0.00 N ATOM 0 H GLN A 60 -0.059 0.951 -9.747 1.00 0.00 H new ATOM 0 HA GLN A 60 -1.973 2.687 -10.908 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -1.702 0.232 -11.321 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -2.316 -0.084 -9.710 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -3.956 1.491 -11.703 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -3.923 -0.261 -11.754 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -3.662 -0.540 -8.796 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -5.269 -0.182 -8.156 1.00 0.00 H new ATOM 917 N VAL A 61 -2.322 2.012 -7.714 1.00 0.00 N ATOM 918 CA VAL A 61 -2.981 2.436 -6.480 1.00 0.00 C ATOM 919 C VAL A 61 -2.725 3.927 -6.232 1.00 0.00 C ATOM 920 O VAL A 61 -3.642 4.692 -5.897 1.00 0.00 O ATOM 921 CB VAL A 61 -2.486 1.604 -5.267 1.00 0.00 C ATOM 922 CG1 VAL A 61 -3.038 2.151 -3.959 1.00 0.00 C ATOM 923 CG2 VAL A 61 -2.862 0.138 -5.437 1.00 0.00 C ATOM 0 H VAL A 61 -1.590 1.314 -7.580 1.00 0.00 H new ATOM 0 HA VAL A 61 -4.052 2.269 -6.593 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.400 1.682 -5.228 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -2.673 1.546 -3.129 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.710 3.182 -3.829 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.127 2.117 -3.981 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -2.507 -0.431 -4.577 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -3.946 0.046 -5.510 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.403 -0.253 -6.345 1.00 0.00 H new ATOM 933 N CYS A 62 -1.476 4.328 -6.428 1.00 0.00 N ATOM 934 CA CYS A 62 -1.063 5.710 -6.277 1.00 0.00 C ATOM 935 C CYS A 62 -1.832 6.599 -7.254 1.00 0.00 C ATOM 936 O CYS A 62 -2.262 7.700 -6.908 1.00 0.00 O ATOM 937 CB CYS A 62 0.449 5.833 -6.512 1.00 0.00 C ATOM 938 SG CYS A 62 1.110 7.499 -6.291 1.00 0.00 S ATOM 0 H CYS A 62 -0.720 3.698 -6.697 1.00 0.00 H new ATOM 0 HA CYS A 62 -1.286 6.040 -5.262 1.00 0.00 H new ATOM 0 HB2 CYS A 62 0.966 5.158 -5.830 1.00 0.00 H new ATOM 0 HB3 CYS A 62 0.675 5.498 -7.524 1.00 0.00 H new ATOM 0 HG CYS A 62 2.391 7.490 -6.511 1.00 0.00 H new ATOM 944 N HIS A 63 -1.995 6.112 -8.474 1.00 0.00 N ATOM 945 CA HIS A 63 -2.710 6.847 -9.506 1.00 0.00 C ATOM 946 C HIS A 63 -4.157 7.106 -9.102 1.00 0.00 C ATOM 947 O HIS A 63 -4.677 8.188 -9.330 1.00 0.00 O ATOM 948 CB HIS A 63 -2.666 6.112 -10.853 1.00 0.00 C ATOM 949 CG HIS A 63 -3.417 6.828 -11.942 1.00 0.00 C ATOM 950 ND1 HIS A 63 -2.940 7.961 -12.567 1.00 0.00 N ATOM 951 CD2 HIS A 63 -4.635 6.590 -12.488 1.00 0.00 C ATOM 952 CE1 HIS A 63 -3.831 8.387 -13.443 1.00 0.00 C ATOM 953 NE2 HIS A 63 -4.863 7.573 -13.415 1.00 0.00 N ATOM 0 H HIS A 63 -1.639 5.205 -8.775 1.00 0.00 H new ATOM 0 HA HIS A 63 -2.205 7.806 -9.620 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -1.627 5.987 -11.158 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -3.084 5.113 -10.729 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -5.301 5.777 -12.239 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -3.729 9.257 -14.075 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -5.700 7.659 -13.991 1.00 0.00 H new ATOM 961 N GLN A 64 -4.800 6.110 -8.508 1.00 0.00 N ATOM 962 CA GLN A 64 -6.209 6.229 -8.145 1.00 0.00 C ATOM 963 C GLN A 64 -6.441 7.365 -7.150 1.00 0.00 C ATOM 964 O GLN A 64 -7.409 8.114 -7.274 1.00 0.00 O ATOM 965 CB GLN A 64 -6.733 4.912 -7.570 1.00 0.00 C ATOM 966 CG GLN A 64 -6.769 3.775 -8.579 1.00 0.00 C ATOM 967 CD GLN A 64 -7.666 4.069 -9.768 1.00 0.00 C ATOM 968 OE1 GLN A 64 -8.668 4.771 -9.650 1.00 0.00 O ATOM 969 NE2 GLN A 64 -7.313 3.529 -10.919 1.00 0.00 N ATOM 0 H GLN A 64 -4.373 5.215 -8.268 1.00 0.00 H new ATOM 0 HA GLN A 64 -6.760 6.462 -9.056 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -6.106 4.619 -6.728 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -7.738 5.071 -7.179 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -5.757 3.578 -8.933 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -7.116 2.868 -8.084 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -6.474 2.952 -10.976 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -7.879 3.688 -11.752 1.00 0.00 H new ATOM 978 N ILE A 65 -5.559 7.498 -6.170 1.00 0.00 N ATOM 979 CA ILE A 65 -5.689 8.581 -5.203 1.00 0.00 C ATOM 980 C ILE A 65 -5.222 9.920 -5.809 1.00 0.00 C ATOM 981 O ILE A 65 -5.825 10.971 -5.572 1.00 0.00 O ATOM 982 CB ILE A 65 -4.928 8.274 -3.874 1.00 0.00 C ATOM 983 CG1 ILE A 65 -5.243 9.329 -2.808 1.00 0.00 C ATOM 984 CG2 ILE A 65 -3.427 8.161 -4.097 1.00 0.00 C ATOM 985 CD1 ILE A 65 -4.712 8.982 -1.431 1.00 0.00 C ATOM 0 H ILE A 65 -4.759 6.882 -6.023 1.00 0.00 H new ATOM 0 HA ILE A 65 -6.747 8.667 -4.956 1.00 0.00 H new ATOM 0 HB ILE A 65 -5.278 7.307 -3.514 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -4.822 10.285 -3.120 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -6.323 9.461 -2.748 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -2.933 7.947 -3.149 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -3.224 7.355 -4.802 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -3.047 9.100 -4.500 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -4.973 9.775 -0.730 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -5.153 8.043 -1.097 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -3.628 8.879 -1.474 1.00 0.00 H new ATOM 997 N GLY A 66 -4.158 9.853 -6.606 1.00 0.00 N ATOM 998 CA GLY A 66 -3.601 11.032 -7.251 1.00 0.00 C ATOM 999 C GLY A 66 -4.543 11.684 -8.252 1.00 0.00 C ATOM 1000 O GLY A 66 -4.617 12.912 -8.340 1.00 0.00 O ATOM 0 H GLY A 66 -3.664 8.987 -6.819 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -3.335 11.762 -6.487 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -2.678 10.755 -7.761 1.00 0.00 H new ATOM 1004 N ASP A 67 -5.268 10.855 -8.991 1.00 0.00 N ATOM 1005 CA ASP A 67 -6.161 11.306 -10.069 1.00 0.00 C ATOM 1006 C ASP A 67 -7.218 12.277 -9.567 1.00 0.00 C ATOM 1007 O ASP A 67 -7.593 13.216 -10.273 1.00 0.00 O ATOM 1008 CB ASP A 67 -6.838 10.109 -10.736 1.00 0.00 C ATOM 1009 CG ASP A 67 -7.643 10.506 -11.954 1.00 0.00 C ATOM 1010 OD1 ASP A 67 -7.032 10.835 -12.988 1.00 0.00 O ATOM 1011 OD2 ASP A 67 -8.892 10.479 -11.893 1.00 0.00 O ATOM 0 H ASP A 67 -5.258 9.843 -8.865 1.00 0.00 H new ATOM 0 HA ASP A 67 -5.544 11.831 -10.798 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -6.080 9.382 -11.026 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -7.492 9.617 -10.016 1.00 0.00 H new ATOM 1016 N MET A 68 -7.692 12.049 -8.352 1.00 0.00 N ATOM 1017 CA MET A 68 -8.729 12.884 -7.747 1.00 0.00 C ATOM 1018 C MET A 68 -8.303 14.356 -7.672 1.00 0.00 C ATOM 1019 O MET A 68 -9.145 15.254 -7.655 1.00 0.00 O ATOM 1020 CB MET A 68 -9.100 12.367 -6.357 1.00 0.00 C ATOM 1021 CG MET A 68 -10.300 13.076 -5.743 1.00 0.00 C ATOM 1022 SD MET A 68 -11.796 12.895 -6.736 1.00 0.00 S ATOM 1023 CE MET A 68 -12.954 13.877 -5.781 1.00 0.00 C ATOM 0 H MET A 68 -7.373 11.285 -7.756 1.00 0.00 H new ATOM 0 HA MET A 68 -9.607 12.825 -8.390 1.00 0.00 H new ATOM 0 HB2 MET A 68 -9.312 11.300 -6.420 1.00 0.00 H new ATOM 0 HB3 MET A 68 -8.242 12.483 -5.695 1.00 0.00 H new ATOM 0 HG2 MET A 68 -10.481 12.678 -4.745 1.00 0.00 H new ATOM 0 HG3 MET A 68 -10.071 14.135 -5.627 1.00 0.00 H new ATOM 0 HE1 MET A 68 -13.929 13.864 -6.267 1.00 0.00 H new ATOM 0 HE2 MET A 68 -13.043 13.461 -4.778 1.00 0.00 H new ATOM 0 HE3 MET A 68 -12.594 14.904 -5.717 1.00 0.00 H new ATOM 1033 N GLY A 69 -7.002 14.597 -7.631 1.00 0.00 N ATOM 1034 CA GLY A 69 -6.515 15.958 -7.554 1.00 0.00 C ATOM 1035 C GLY A 69 -5.626 16.175 -6.366 1.00 0.00 C ATOM 1036 O GLY A 69 -5.208 17.301 -6.079 1.00 0.00 O ATOM 0 H GLY A 69 -6.278 13.879 -7.650 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -5.966 16.198 -8.465 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -7.362 16.643 -7.502 1.00 0.00 H new ATOM 1040 N PHE A 70 -5.329 15.107 -5.673 1.00 0.00 N ATOM 1041 CA PHE A 70 -4.477 15.174 -4.520 1.00 0.00 C ATOM 1042 C PHE A 70 -3.163 14.497 -4.859 1.00 0.00 C ATOM 1043 O PHE A 70 -3.154 13.433 -5.467 1.00 0.00 O ATOM 1044 CB PHE A 70 -5.161 14.502 -3.335 1.00 0.00 C ATOM 1045 CG PHE A 70 -6.506 15.109 -3.013 1.00 0.00 C ATOM 1046 CD1 PHE A 70 -6.602 16.395 -2.515 1.00 0.00 C ATOM 1047 CD2 PHE A 70 -7.673 14.394 -3.228 1.00 0.00 C ATOM 1048 CE1 PHE A 70 -7.831 16.956 -2.231 1.00 0.00 C ATOM 1049 CE2 PHE A 70 -8.905 14.950 -2.946 1.00 0.00 C ATOM 1050 CZ PHE A 70 -8.983 16.232 -2.445 1.00 0.00 C ATOM 0 H PHE A 70 -5.670 14.171 -5.892 1.00 0.00 H new ATOM 0 HA PHE A 70 -4.282 16.210 -4.243 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -5.288 13.441 -3.549 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -4.516 14.575 -2.460 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -5.703 16.969 -2.346 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -7.618 13.390 -3.621 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -7.889 17.962 -1.841 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -9.807 14.381 -3.118 1.00 0.00 H new ATOM 0 HZ PHE A 70 -9.945 16.668 -2.221 1.00 0.00 H new ATOM 1060 N GLU A 71 -2.065 15.105 -4.481 1.00 0.00 N ATOM 1061 CA GLU A 71 -0.769 14.593 -4.873 1.00 0.00 C ATOM 1062 C GLU A 71 -0.233 13.586 -3.867 1.00 0.00 C ATOM 1063 O GLU A 71 -0.058 13.894 -2.683 1.00 0.00 O ATOM 1064 CB GLU A 71 0.216 15.744 -5.070 1.00 0.00 C ATOM 1065 CG GLU A 71 1.557 15.319 -5.639 1.00 0.00 C ATOM 1066 CD GLU A 71 2.449 16.495 -5.944 1.00 0.00 C ATOM 1067 OE1 GLU A 71 2.138 17.256 -6.878 1.00 0.00 O ATOM 1068 OE2 GLU A 71 3.471 16.665 -5.267 1.00 0.00 O ATOM 0 H GLU A 71 -2.039 15.948 -3.907 1.00 0.00 H new ATOM 0 HA GLU A 71 -0.889 14.068 -5.821 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -0.232 16.482 -5.736 1.00 0.00 H new ATOM 0 HB3 GLU A 71 0.379 16.237 -4.112 1.00 0.00 H new ATOM 0 HG2 GLU A 71 2.058 14.661 -4.929 1.00 0.00 H new ATOM 0 HG3 GLU A 71 1.396 14.742 -6.550 1.00 0.00 H new ATOM 1075 N ALA A 72 0.030 12.386 -4.347 1.00 0.00 N ATOM 1076 CA ALA A 72 0.559 11.326 -3.519 1.00 0.00 C ATOM 1077 C ALA A 72 1.859 10.807 -4.103 1.00 0.00 C ATOM 1078 O ALA A 72 1.968 10.609 -5.315 1.00 0.00 O ATOM 1079 CB ALA A 72 -0.451 10.197 -3.399 1.00 0.00 C ATOM 0 H ALA A 72 -0.118 12.121 -5.321 1.00 0.00 H new ATOM 0 HA ALA A 72 0.756 11.724 -2.524 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -0.039 9.406 -2.773 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -1.368 10.576 -2.949 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -0.671 9.799 -4.389 1.00 0.00 H new ATOM 1085 N SER A 73 2.844 10.607 -3.255 1.00 0.00 N ATOM 1086 CA SER A 73 4.126 10.102 -3.695 1.00 0.00 C ATOM 1087 C SER A 73 4.563 8.959 -2.805 1.00 0.00 C ATOM 1088 O SER A 73 4.298 8.971 -1.604 1.00 0.00 O ATOM 1089 CB SER A 73 5.170 11.214 -3.668 1.00 0.00 C ATOM 1090 OG SER A 73 4.773 12.310 -4.480 1.00 0.00 O ATOM 0 H SER A 73 2.781 10.787 -2.253 1.00 0.00 H new ATOM 0 HA SER A 73 4.028 9.739 -4.718 1.00 0.00 H new ATOM 0 HB2 SER A 73 5.318 11.552 -2.643 1.00 0.00 H new ATOM 0 HB3 SER A 73 6.127 10.827 -4.018 1.00 0.00 H new ATOM 0 HG SER A 73 5.459 13.009 -4.444 1.00 0.00 H new ATOM 1096 N ILE A 74 5.225 7.977 -3.378 1.00 0.00 N ATOM 1097 CA ILE A 74 5.680 6.846 -2.605 1.00 0.00 C ATOM 1098 C ILE A 74 6.804 7.253 -1.653 1.00 0.00 C ATOM 1099 O ILE A 74 7.776 7.904 -2.045 1.00 0.00 O ATOM 1100 CB ILE A 74 6.129 5.652 -3.505 1.00 0.00 C ATOM 1101 CG1 ILE A 74 6.504 4.436 -2.644 1.00 0.00 C ATOM 1102 CG2 ILE A 74 7.290 6.047 -4.412 1.00 0.00 C ATOM 1103 CD1 ILE A 74 6.760 3.175 -3.444 1.00 0.00 C ATOM 0 H ILE A 74 5.458 7.940 -4.370 1.00 0.00 H new ATOM 0 HA ILE A 74 4.829 6.503 -2.017 1.00 0.00 H new ATOM 0 HB ILE A 74 5.287 5.379 -4.141 1.00 0.00 H new ATOM 0 HG12 ILE A 74 7.396 4.674 -2.064 1.00 0.00 H new ATOM 0 HG13 ILE A 74 5.702 4.246 -1.931 1.00 0.00 H new ATOM 0 HG21 ILE A 74 7.579 5.194 -5.026 1.00 0.00 H new ATOM 0 HG22 ILE A 74 6.984 6.871 -5.057 1.00 0.00 H new ATOM 0 HG23 ILE A 74 8.138 6.359 -3.802 1.00 0.00 H new ATOM 0 HD11 ILE A 74 7.019 2.361 -2.767 1.00 0.00 H new ATOM 0 HD12 ILE A 74 5.863 2.910 -4.003 1.00 0.00 H new ATOM 0 HD13 ILE A 74 7.583 3.345 -4.138 1.00 0.00 H new ATOM 1115 N ALA A 75 6.632 6.913 -0.404 1.00 0.00 N ATOM 1116 CA ALA A 75 7.618 7.174 0.611 1.00 0.00 C ATOM 1117 C ALA A 75 8.455 5.926 0.844 1.00 0.00 C ATOM 1118 O ALA A 75 7.902 4.800 0.970 1.00 0.00 O ATOM 1119 CB ALA A 75 6.954 7.636 1.900 1.00 0.00 C ATOM 0 H ALA A 75 5.796 6.442 -0.059 1.00 0.00 H new ATOM 0 HA ALA A 75 8.274 7.976 0.272 1.00 0.00 H new ATOM 0 HB1 ALA A 75 7.717 7.828 2.654 1.00 0.00 H new ATOM 0 HB2 ALA A 75 6.392 8.551 1.712 1.00 0.00 H new ATOM 0 HB3 ALA A 75 6.277 6.861 2.258 1.00 0.00 H new ATOM 1125 N GLU A 76 9.776 6.142 0.912 1.00 0.00 N ATOM 1126 CA GLU A 76 10.786 5.092 1.049 1.00 0.00 C ATOM 1127 C GLU A 76 11.011 4.385 -0.283 1.00 0.00 C ATOM 1128 O GLU A 76 11.992 4.732 -0.974 1.00 0.00 O ATOM 1129 CB GLU A 76 10.457 4.079 2.156 1.00 0.00 C ATOM 1130 CG GLU A 76 11.552 3.040 2.352 1.00 0.00 C ATOM 1131 CD GLU A 76 11.233 2.036 3.426 1.00 0.00 C ATOM 1132 OE1 GLU A 76 11.448 2.337 4.611 1.00 0.00 O ATOM 1133 OE2 GLU A 76 10.779 0.925 3.088 1.00 0.00 O ATOM 1134 OXT GLU A 76 10.209 3.508 -0.643 1.00 0.00 O ATOM 0 H GLU A 76 10.179 7.078 0.872 1.00 0.00 H new ATOM 0 HA GLU A 76 11.709 5.587 1.350 1.00 0.00 H new ATOM 0 HB2 GLU A 76 10.297 4.612 3.093 1.00 0.00 H new ATOM 0 HB3 GLU A 76 9.522 3.573 1.913 1.00 0.00 H new ATOM 0 HG2 GLU A 76 11.718 2.515 1.411 1.00 0.00 H new ATOM 0 HG3 GLU A 76 12.484 3.547 2.603 1.00 0.00 H new