USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 522 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 5 CYS SG : rot 89:sc= 0.513 USER MOD Set 1.2: A 47 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 20 ASN : amide:sc= -0.531! X(o=-0.81!,f=-0.42) USER MOD Set 2.2: A 24 ASN : amide:sc= -0.275 X(o=-0.81,f=-0.91) USER MOD Set 3.1: A 4 LYS NZ :NH3+ 164:sc= 1.25 (180deg=1.06) USER MOD Set 3.2: A 6 TYR OH : rot 39:sc= 1.15 USER MOD Single : A 2 SER OG : rot 37:sc= 2.17 USER MOD Single : A 3 SER OG : rot 15:sc= 0.936 USER MOD Single : A 8 GLN : amide:sc= 1.15 K(o=1.2,f=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot -84:sc= 0.884 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 39 MET CE :methyl -172:sc= 0 (180deg=-0.041) USER MOD Single : A 42 LYS NZ :NH3+ 140:sc= 1.24 (180deg=0.449) USER MOD Single : A 48 ASN : amide:sc= -1.16 K(o=-1.2,f=-6.3!) USER MOD Single : A 53 GLN : amide:sc=-0.00551 X(o=-0.0055,f=-0.0055) USER MOD Single : A 56 MET CE :methyl -165:sc= 0 (180deg=-0.391) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 17 N SER A 2 -13.815 -1.547 8.458 1.00 1.31 N ATOM 18 CA SER A 2 -12.392 -1.252 8.310 1.00 0.89 C ATOM 19 C SER A 2 -11.546 -2.374 8.916 1.00 0.74 C ATOM 20 O SER A 2 -11.963 -3.010 9.882 1.00 1.18 O ATOM 21 CB SER A 2 -11.979 0.145 8.816 1.00 1.27 C ATOM 22 OG SER A 2 -10.591 0.353 8.622 1.00 2.83 O ATOM 0 HA SER A 2 -12.193 -1.214 7.239 1.00 0.89 H new ATOM 0 HB2 SER A 2 -12.545 0.912 8.287 1.00 1.27 H new ATOM 0 HB3 SER A 2 -12.223 0.242 9.874 1.00 1.27 H new ATOM 0 HG SER A 2 -10.313 -0.063 7.779 1.00 2.83 H new ATOM 28 N SER A 3 -10.375 -2.637 8.332 1.00 0.70 N ATOM 29 CA SER A 3 -9.362 -3.546 8.860 1.00 0.76 C ATOM 30 C SER A 3 -8.003 -3.151 8.273 1.00 0.56 C ATOM 31 O SER A 3 -7.953 -2.337 7.348 1.00 0.47 O ATOM 32 CB SER A 3 -9.712 -5.002 8.514 1.00 1.07 C ATOM 33 OG SER A 3 -10.831 -5.441 9.265 1.00 2.40 O ATOM 0 H SER A 3 -10.099 -2.207 7.449 1.00 0.70 H new ATOM 0 HA SER A 3 -9.323 -3.471 9.947 1.00 0.76 H new ATOM 0 HB2 SER A 3 -9.927 -5.086 7.449 1.00 1.07 H new ATOM 0 HB3 SER A 3 -8.856 -5.645 8.718 1.00 1.07 H new ATOM 0 HG SER A 3 -11.285 -4.667 9.659 1.00 2.40 H new ATOM 39 N LYS A 4 -6.914 -3.732 8.779 1.00 0.60 N ATOM 40 CA LYS A 4 -5.570 -3.537 8.250 1.00 0.52 C ATOM 41 C LYS A 4 -5.367 -4.430 7.021 1.00 0.50 C ATOM 42 O LYS A 4 -5.811 -5.576 7.004 1.00 0.76 O ATOM 43 CB LYS A 4 -4.521 -3.850 9.328 1.00 0.61 C ATOM 44 CG LYS A 4 -4.473 -2.748 10.398 1.00 1.32 C ATOM 45 CD LYS A 4 -3.717 -3.185 11.665 1.00 1.71 C ATOM 46 CE LYS A 4 -2.245 -3.574 11.456 1.00 2.49 C ATOM 47 NZ LYS A 4 -1.351 -2.433 11.168 1.00 3.08 N ATOM 0 H LYS A 4 -6.945 -4.361 9.581 1.00 0.60 H new ATOM 0 HA LYS A 4 -5.449 -2.495 7.953 1.00 0.52 H new ATOM 0 HB2 LYS A 4 -4.753 -4.806 9.798 1.00 0.61 H new ATOM 0 HB3 LYS A 4 -3.540 -3.953 8.865 1.00 0.61 H new ATOM 0 HG2 LYS A 4 -3.994 -1.862 9.981 1.00 1.32 H new ATOM 0 HG3 LYS A 4 -5.490 -2.463 10.667 1.00 1.32 H new ATOM 0 HD2 LYS A 4 -3.761 -2.373 12.391 1.00 1.71 H new ATOM 0 HD3 LYS A 4 -4.240 -4.034 12.104 1.00 1.71 H new ATOM 0 HE2 LYS A 4 -1.886 -4.086 12.349 1.00 2.49 H new ATOM 0 HE3 LYS A 4 -2.183 -4.286 10.633 1.00 2.49 H new ATOM 0 HZ1 LYS A 4 -0.362 -2.723 11.307 1.00 3.08 H new ATOM 0 HZ2 LYS A 4 -1.487 -2.126 10.184 1.00 3.08 H new ATOM 0 HZ3 LYS A 4 -1.574 -1.646 11.810 1.00 3.08 H new ATOM 61 N CYS A 5 -4.694 -3.896 5.997 1.00 0.47 N ATOM 62 CA CYS A 5 -4.214 -4.642 4.840 1.00 0.51 C ATOM 63 C CYS A 5 -2.698 -4.700 4.962 1.00 0.45 C ATOM 64 O CYS A 5 -2.039 -3.658 5.024 1.00 0.48 O ATOM 65 CB CYS A 5 -4.610 -3.958 3.522 1.00 0.69 C ATOM 66 SG CYS A 5 -5.114 -5.212 2.326 1.00 1.67 S ATOM 0 H CYS A 5 -4.464 -2.903 5.953 1.00 0.47 H new ATOM 0 HA CYS A 5 -4.657 -5.638 4.823 1.00 0.51 H new ATOM 0 HB2 CYS A 5 -5.425 -3.255 3.694 1.00 0.69 H new ATOM 0 HB3 CYS A 5 -3.771 -3.383 3.131 1.00 0.69 H new ATOM 0 HG CYS A 5 -6.387 -5.444 2.451 1.00 1.67 H new ATOM 72 N TYR A 6 -2.137 -5.905 5.036 1.00 0.46 N ATOM 73 CA TYR A 6 -0.706 -6.081 5.147 1.00 0.44 C ATOM 74 C TYR A 6 -0.166 -6.245 3.736 1.00 0.44 C ATOM 75 O TYR A 6 -0.646 -7.086 2.984 1.00 0.61 O ATOM 76 CB TYR A 6 -0.408 -7.285 6.046 1.00 0.55 C ATOM 77 CG TYR A 6 -0.283 -6.908 7.507 1.00 1.17 C ATOM 78 CD1 TYR A 6 0.911 -6.324 7.953 1.00 1.77 C ATOM 79 CD2 TYR A 6 -1.355 -7.064 8.403 1.00 2.91 C ATOM 80 CE1 TYR A 6 1.092 -6.030 9.309 1.00 2.24 C ATOM 81 CE2 TYR A 6 -1.205 -6.685 9.750 1.00 3.68 C ATOM 82 CZ TYR A 6 0.011 -6.135 10.195 1.00 2.92 C ATOM 83 OH TYR A 6 0.079 -5.493 11.394 1.00 3.91 O ATOM 0 H TYR A 6 -2.665 -6.777 5.020 1.00 0.46 H new ATOM 0 HA TYR A 6 -0.218 -5.224 5.611 1.00 0.44 H new ATOM 0 HB2 TYR A 6 -1.202 -8.023 5.932 1.00 0.55 H new ATOM 0 HB3 TYR A 6 0.517 -7.759 5.717 1.00 0.55 H new ATOM 0 HD1 TYR A 6 1.696 -6.100 7.246 1.00 1.77 H new ATOM 0 HD2 TYR A 6 -2.293 -7.474 8.058 1.00 2.91 H new ATOM 0 HE1 TYR A 6 2.062 -5.723 9.672 1.00 2.24 H new ATOM 0 HE2 TYR A 6 -2.024 -6.816 10.442 1.00 3.68 H new ATOM 0 HH TYR A 6 0.506 -4.619 11.273 1.00 3.91 H new ATOM 93 N ILE A 7 0.814 -5.425 3.363 1.00 0.41 N ATOM 94 CA ILE A 7 1.412 -5.457 2.035 1.00 0.38 C ATOM 95 C ILE A 7 2.921 -5.641 2.222 1.00 0.37 C ATOM 96 O ILE A 7 3.455 -5.467 3.326 1.00 0.58 O ATOM 97 CB ILE A 7 0.985 -4.208 1.212 1.00 0.42 C ATOM 98 CG1 ILE A 7 -0.511 -3.923 1.445 1.00 0.55 C ATOM 99 CG2 ILE A 7 1.223 -4.352 -0.303 1.00 0.43 C ATOM 100 CD1 ILE A 7 -1.168 -2.986 0.425 1.00 0.73 C ATOM 0 H ILE A 7 1.216 -4.717 3.978 1.00 0.41 H new ATOM 0 HA ILE A 7 1.055 -6.294 1.435 1.00 0.38 H new ATOM 0 HB ILE A 7 1.611 -3.387 1.562 1.00 0.42 H new ATOM 0 HG12 ILE A 7 -1.049 -4.871 1.441 1.00 0.55 H new ATOM 0 HG13 ILE A 7 -0.631 -3.492 2.439 1.00 0.55 H new ATOM 0 HG21 ILE A 7 0.901 -3.442 -0.810 1.00 0.43 H new ATOM 0 HG22 ILE A 7 2.284 -4.516 -0.491 1.00 0.43 H new ATOM 0 HG23 ILE A 7 0.652 -5.200 -0.682 1.00 0.43 H new ATOM 0 HD11 ILE A 7 -2.219 -2.851 0.679 1.00 0.73 H new ATOM 0 HD12 ILE A 7 -0.664 -2.020 0.441 1.00 0.73 H new ATOM 0 HD13 ILE A 7 -1.089 -3.420 -0.572 1.00 0.73 H new ATOM 112 N GLN A 8 3.619 -6.050 1.170 1.00 0.48 N ATOM 113 CA GLN A 8 5.064 -6.016 1.105 1.00 0.58 C ATOM 114 C GLN A 8 5.444 -5.576 -0.306 1.00 0.62 C ATOM 115 O GLN A 8 4.664 -5.775 -1.240 1.00 0.54 O ATOM 116 CB GLN A 8 5.620 -7.388 1.502 1.00 0.66 C ATOM 117 CG GLN A 8 7.150 -7.381 1.545 1.00 1.81 C ATOM 118 CD GLN A 8 7.688 -8.504 2.427 1.00 1.73 C ATOM 119 OE1 GLN A 8 7.290 -9.655 2.289 1.00 1.63 O ATOM 120 NE2 GLN A 8 8.572 -8.177 3.364 1.00 2.76 N ATOM 0 H GLN A 8 3.183 -6.420 0.326 1.00 0.48 H new ATOM 0 HA GLN A 8 5.501 -5.304 1.806 1.00 0.58 H new ATOM 0 HB2 GLN A 8 5.229 -7.672 2.479 1.00 0.66 H new ATOM 0 HB3 GLN A 8 5.278 -8.140 0.791 1.00 0.66 H new ATOM 0 HG2 GLN A 8 7.544 -7.489 0.535 1.00 1.81 H new ATOM 0 HG3 GLN A 8 7.500 -6.420 1.923 1.00 1.81 H new ATOM 0 HE21 GLN A 8 8.885 -7.210 3.455 1.00 2.76 H new ATOM 0 HE22 GLN A 8 8.938 -8.893 3.992 1.00 2.76 H new ATOM 129 N VAL A 9 6.607 -4.931 -0.439 1.00 0.77 N ATOM 130 CA VAL A 9 7.136 -4.438 -1.706 1.00 0.83 C ATOM 131 C VAL A 9 8.646 -4.660 -1.706 1.00 0.93 C ATOM 132 O VAL A 9 9.304 -4.354 -0.710 1.00 1.28 O ATOM 133 CB VAL A 9 6.826 -2.939 -1.893 1.00 0.94 C ATOM 134 CG1 VAL A 9 7.188 -2.486 -3.314 1.00 1.92 C ATOM 135 CG2 VAL A 9 5.362 -2.577 -1.605 1.00 2.05 C ATOM 0 H VAL A 9 7.219 -4.734 0.353 1.00 0.77 H new ATOM 0 HA VAL A 9 6.667 -4.976 -2.529 1.00 0.83 H new ATOM 0 HB VAL A 9 7.440 -2.415 -1.160 1.00 0.94 H new ATOM 0 HG11 VAL A 9 6.962 -1.426 -3.426 1.00 1.92 H new ATOM 0 HG12 VAL A 9 8.251 -2.651 -3.489 1.00 1.92 H new ATOM 0 HG13 VAL A 9 6.608 -3.059 -4.037 1.00 1.92 H new ATOM 0 HG21 VAL A 9 5.215 -1.508 -1.756 1.00 2.05 H new ATOM 0 HG22 VAL A 9 4.710 -3.132 -2.280 1.00 2.05 H new ATOM 0 HG23 VAL A 9 5.120 -2.834 -0.574 1.00 2.05 H new ATOM 145 N THR A 10 9.200 -5.172 -2.807 1.00 0.81 N ATOM 146 CA THR A 10 10.641 -5.355 -2.939 1.00 1.01 C ATOM 147 C THR A 10 11.276 -4.106 -3.560 1.00 1.14 C ATOM 148 O THR A 10 11.171 -3.862 -4.758 1.00 1.51 O ATOM 149 CB THR A 10 10.965 -6.700 -3.612 1.00 1.08 C ATOM 150 OG1 THR A 10 12.348 -6.977 -3.538 1.00 2.64 O ATOM 151 CG2 THR A 10 10.518 -6.782 -5.066 1.00 2.85 C ATOM 0 H THR A 10 8.665 -5.468 -3.624 1.00 0.81 H new ATOM 0 HA THR A 10 11.113 -5.441 -1.960 1.00 1.01 H new ATOM 0 HB THR A 10 10.397 -7.446 -3.057 1.00 1.08 H new ATOM 0 HG1 THR A 10 12.533 -7.837 -3.970 1.00 2.64 H new ATOM 0 HG21 THR A 10 10.780 -7.759 -5.473 1.00 2.85 H new ATOM 0 HG22 THR A 10 9.438 -6.643 -5.123 1.00 2.85 H new ATOM 0 HG23 THR A 10 11.015 -6.003 -5.644 1.00 2.85 H new ATOM 218 N SER A 16 12.560 6.968 -1.862 1.00 1.20 N ATOM 219 CA SER A 16 11.178 7.274 -1.538 1.00 1.35 C ATOM 220 C SER A 16 10.331 6.024 -1.770 1.00 1.86 C ATOM 221 O SER A 16 10.158 5.246 -0.840 1.00 3.73 O ATOM 222 CB SER A 16 10.722 8.507 -2.330 1.00 2.14 C ATOM 223 OG SER A 16 11.326 9.665 -1.789 1.00 2.05 O ATOM 0 HA SER A 16 11.060 7.540 -0.488 1.00 1.35 H new ATOM 0 HB2 SER A 16 10.994 8.399 -3.380 1.00 2.14 H new ATOM 0 HB3 SER A 16 9.637 8.597 -2.289 1.00 2.14 H new ATOM 0 HG SER A 16 11.036 10.452 -2.296 1.00 2.05 H new ATOM 229 N CYS A 17 9.807 5.835 -2.989 1.00 1.31 N ATOM 230 CA CYS A 17 8.925 4.742 -3.399 1.00 1.49 C ATOM 231 C CYS A 17 7.666 4.711 -2.536 1.00 1.34 C ATOM 232 O CYS A 17 6.601 5.171 -2.952 1.00 1.34 O ATOM 233 CB CYS A 17 9.637 3.378 -3.393 1.00 1.51 C ATOM 234 SG CYS A 17 10.936 3.312 -4.646 1.00 2.58 S ATOM 0 H CYS A 17 10.000 6.479 -3.756 1.00 1.31 H new ATOM 0 HA CYS A 17 8.632 4.936 -4.431 1.00 1.49 H new ATOM 0 HB2 CYS A 17 10.068 3.194 -2.409 1.00 1.51 H new ATOM 0 HB3 CYS A 17 8.911 2.585 -3.576 1.00 1.51 H new ATOM 0 HG CYS A 17 10.417 2.987 -5.793 1.00 2.58 H new ATOM 240 N VAL A 18 7.808 4.197 -1.313 1.00 1.25 N ATOM 241 CA VAL A 18 6.758 4.104 -0.320 1.00 1.07 C ATOM 242 C VAL A 18 6.039 5.433 -0.198 1.00 1.01 C ATOM 243 O VAL A 18 4.827 5.475 -0.312 1.00 0.99 O ATOM 244 CB VAL A 18 7.330 3.602 1.013 1.00 0.91 C ATOM 245 CG1 VAL A 18 7.971 4.659 1.921 1.00 1.65 C ATOM 246 CG2 VAL A 18 6.242 2.864 1.792 1.00 1.88 C ATOM 0 H VAL A 18 8.697 3.821 -0.983 1.00 1.25 H new ATOM 0 HA VAL A 18 6.014 3.372 -0.634 1.00 1.07 H new ATOM 0 HB VAL A 18 8.151 2.945 0.726 1.00 0.91 H new ATOM 0 HG11 VAL A 18 8.337 4.183 2.831 1.00 1.65 H new ATOM 0 HG12 VAL A 18 8.803 5.132 1.398 1.00 1.65 H new ATOM 0 HG13 VAL A 18 7.229 5.414 2.180 1.00 1.65 H new ATOM 0 HG21 VAL A 18 6.650 2.508 2.738 1.00 1.88 H new ATOM 0 HG22 VAL A 18 5.411 3.542 1.987 1.00 1.88 H new ATOM 0 HG23 VAL A 18 5.888 2.015 1.207 1.00 1.88 H new ATOM 256 N ALA A 19 6.788 6.525 -0.054 1.00 1.06 N ATOM 257 CA ALA A 19 6.227 7.861 0.105 1.00 1.07 C ATOM 258 C ALA A 19 5.181 8.173 -0.974 1.00 1.09 C ATOM 259 O ALA A 19 4.135 8.757 -0.684 1.00 1.07 O ATOM 260 CB ALA A 19 7.350 8.901 0.098 1.00 1.14 C ATOM 0 H ALA A 19 7.808 6.505 -0.045 1.00 1.06 H new ATOM 0 HA ALA A 19 5.713 7.901 1.065 1.00 1.07 H new ATOM 0 HB1 ALA A 19 6.924 9.897 0.217 1.00 1.14 H new ATOM 0 HB2 ALA A 19 8.038 8.700 0.920 1.00 1.14 H new ATOM 0 HB3 ALA A 19 7.889 8.848 -0.848 1.00 1.14 H new ATOM 266 N ASN A 20 5.445 7.765 -2.222 1.00 1.17 N ATOM 267 CA ASN A 20 4.496 7.954 -3.312 1.00 1.22 C ATOM 268 C ASN A 20 3.254 7.102 -3.053 1.00 1.17 C ATOM 269 O ASN A 20 2.128 7.572 -3.215 1.00 1.28 O ATOM 270 CB ASN A 20 5.128 7.594 -4.661 1.00 1.32 C ATOM 271 CG ASN A 20 4.348 8.133 -5.865 1.00 1.12 C ATOM 272 OD1 ASN A 20 4.950 8.462 -6.880 1.00 2.40 O ATOM 273 ND2 ASN A 20 3.024 8.253 -5.794 1.00 1.26 N ATOM 0 H ASN A 20 6.311 7.302 -2.496 1.00 1.17 H new ATOM 0 HA ASN A 20 4.210 9.005 -3.354 1.00 1.22 H new ATOM 0 HB2 ASN A 20 6.145 7.985 -4.693 1.00 1.32 H new ATOM 0 HB3 ASN A 20 5.201 6.509 -4.741 1.00 1.32 H new ATOM 0 HD21 ASN A 20 2.502 8.622 -6.589 1.00 1.26 H new ATOM 0 HD22 ASN A 20 2.532 7.976 -4.945 1.00 1.26 H new ATOM 280 N ILE A 21 3.452 5.841 -2.683 1.00 1.08 N ATOM 281 CA ILE A 21 2.358 4.946 -2.350 1.00 1.01 C ATOM 282 C ILE A 21 1.548 5.529 -1.183 1.00 0.85 C ATOM 283 O ILE A 21 0.327 5.508 -1.241 1.00 0.92 O ATOM 284 CB ILE A 21 2.911 3.531 -2.082 1.00 1.05 C ATOM 285 CG1 ILE A 21 3.499 2.915 -3.366 1.00 1.14 C ATOM 286 CG2 ILE A 21 1.806 2.633 -1.531 1.00 1.03 C ATOM 287 CD1 ILE A 21 4.401 1.705 -3.097 1.00 2.49 C ATOM 0 H ILE A 21 4.375 5.415 -2.607 1.00 1.08 H new ATOM 0 HA ILE A 21 1.665 4.853 -3.186 1.00 1.01 H new ATOM 0 HB ILE A 21 3.710 3.612 -1.345 1.00 1.05 H new ATOM 0 HG12 ILE A 21 2.683 2.613 -4.023 1.00 1.14 H new ATOM 0 HG13 ILE A 21 4.071 3.676 -3.897 1.00 1.14 H new ATOM 0 HG21 ILE A 21 2.206 1.636 -1.345 1.00 1.03 H new ATOM 0 HG22 ILE A 21 1.428 3.052 -0.599 1.00 1.03 H new ATOM 0 HG23 ILE A 21 0.994 2.569 -2.256 1.00 1.03 H new ATOM 0 HD11 ILE A 21 4.783 1.318 -4.042 1.00 2.49 H new ATOM 0 HD12 ILE A 21 5.236 2.007 -2.465 1.00 2.49 H new ATOM 0 HD13 ILE A 21 3.827 0.928 -2.593 1.00 2.49 H new ATOM 299 N GLU A 22 2.178 6.090 -0.149 1.00 0.68 N ATOM 300 CA GLU A 22 1.486 6.740 0.954 1.00 0.62 C ATOM 301 C GLU A 22 0.615 7.882 0.425 1.00 0.69 C ATOM 302 O GLU A 22 -0.570 7.936 0.695 1.00 0.67 O ATOM 303 CB GLU A 22 2.495 7.290 1.966 1.00 0.65 C ATOM 304 CG GLU A 22 3.386 6.239 2.641 1.00 0.67 C ATOM 305 CD GLU A 22 4.470 6.925 3.471 1.00 0.83 C ATOM 306 OE1 GLU A 22 4.295 8.137 3.734 1.00 1.70 O ATOM 307 OE2 GLU A 22 5.456 6.239 3.806 1.00 1.93 O ATOM 0 H GLU A 22 3.194 6.103 -0.058 1.00 0.68 H new ATOM 0 HA GLU A 22 0.854 6.003 1.449 1.00 0.62 H new ATOM 0 HB2 GLU A 22 3.134 8.014 1.460 1.00 0.65 H new ATOM 0 HB3 GLU A 22 1.950 7.832 2.739 1.00 0.65 H new ATOM 0 HG2 GLU A 22 2.782 5.594 3.279 1.00 0.67 H new ATOM 0 HG3 GLU A 22 3.845 5.601 1.886 1.00 0.67 H new ATOM 314 N ARG A 23 1.223 8.814 -0.303 1.00 0.92 N ATOM 315 CA ARG A 23 0.624 9.910 -1.069 1.00 1.28 C ATOM 316 C ARG A 23 -0.587 9.462 -1.889 1.00 1.17 C ATOM 317 O ARG A 23 -1.578 10.186 -1.959 1.00 1.36 O ATOM 318 CB ARG A 23 1.671 10.537 -2.005 1.00 1.84 C ATOM 319 CG ARG A 23 2.312 11.819 -1.458 1.00 2.18 C ATOM 320 CD ARG A 23 1.375 13.023 -1.628 1.00 2.05 C ATOM 321 NE ARG A 23 2.112 14.292 -1.498 1.00 2.51 N ATOM 322 CZ ARG A 23 1.680 15.482 -1.951 1.00 3.14 C ATOM 323 NH1 ARG A 23 0.442 15.600 -2.444 1.00 3.72 N ATOM 324 NH2 ARG A 23 2.488 16.548 -1.911 1.00 3.99 N ATOM 0 H ARG A 23 2.240 8.825 -0.381 1.00 0.92 H new ATOM 0 HA ARG A 23 0.277 10.647 -0.345 1.00 1.28 H new ATOM 0 HB2 ARG A 23 2.455 9.805 -2.198 1.00 1.84 H new ATOM 0 HB3 ARG A 23 1.200 10.759 -2.963 1.00 1.84 H new ATOM 0 HG2 ARG A 23 2.552 11.687 -0.403 1.00 2.18 H new ATOM 0 HG3 ARG A 23 3.251 12.009 -1.977 1.00 2.18 H new ATOM 0 HD2 ARG A 23 0.893 12.977 -2.605 1.00 2.05 H new ATOM 0 HD3 ARG A 23 0.584 12.980 -0.880 1.00 2.05 H new ATOM 0 HE ARG A 23 3.018 14.266 -1.029 1.00 2.51 H new ATOM 0 HH11 ARG A 23 -0.174 14.787 -2.476 1.00 3.72 H new ATOM 0 HH12 ARG A 23 0.114 16.503 -2.788 1.00 3.72 H new ATOM 0 HH21 ARG A 23 3.433 16.458 -1.537 1.00 3.99 H new ATOM 0 HH22 ARG A 23 2.159 17.450 -2.255 1.00 3.99 H new ATOM 338 N ASN A 24 -0.501 8.299 -2.529 1.00 1.04 N ATOM 339 CA ASN A 24 -1.610 7.731 -3.280 1.00 1.01 C ATOM 340 C ASN A 24 -2.691 7.252 -2.307 1.00 0.77 C ATOM 341 O ASN A 24 -3.819 7.748 -2.293 1.00 0.77 O ATOM 342 CB ASN A 24 -1.064 6.581 -4.138 1.00 1.20 C ATOM 343 CG ASN A 24 -0.116 7.062 -5.230 1.00 1.64 C ATOM 344 OD1 ASN A 24 -0.035 8.244 -5.551 1.00 2.45 O ATOM 345 ND2 ASN A 24 0.651 6.139 -5.793 1.00 2.29 N ATOM 0 H ASN A 24 0.342 7.725 -2.540 1.00 1.04 H new ATOM 0 HA ASN A 24 -2.065 8.473 -3.935 1.00 1.01 H new ATOM 0 HB2 ASN A 24 -0.543 5.870 -3.497 1.00 1.20 H new ATOM 0 HB3 ASN A 24 -1.897 6.047 -4.595 1.00 1.20 H new ATOM 0 HD21 ASN A 24 1.327 6.405 -6.509 1.00 2.29 H new ATOM 0 HD22 ASN A 24 0.566 5.163 -5.510 1.00 2.29 H new ATOM 352 N LEU A 25 -2.322 6.287 -1.466 1.00 0.76 N ATOM 353 CA LEU A 25 -3.218 5.571 -0.579 1.00 0.67 C ATOM 354 C LEU A 25 -3.898 6.505 0.405 1.00 0.62 C ATOM 355 O LEU A 25 -5.031 6.268 0.791 1.00 0.84 O ATOM 356 CB LEU A 25 -2.488 4.413 0.110 1.00 0.69 C ATOM 357 CG LEU A 25 -2.622 3.110 -0.699 1.00 1.06 C ATOM 358 CD1 LEU A 25 -2.187 3.238 -2.165 1.00 1.57 C ATOM 359 CD2 LEU A 25 -1.788 2.025 -0.021 1.00 1.78 C ATOM 0 H LEU A 25 -1.354 5.976 -1.386 1.00 0.76 H new ATOM 0 HA LEU A 25 -4.016 5.134 -1.179 1.00 0.67 H new ATOM 0 HB2 LEU A 25 -1.434 4.664 0.229 1.00 0.69 H new ATOM 0 HB3 LEU A 25 -2.896 4.267 1.110 1.00 0.69 H new ATOM 0 HG LEU A 25 -3.682 2.856 -0.715 1.00 1.06 H new ATOM 0 HD11 LEU A 25 -2.311 2.278 -2.667 1.00 1.57 H new ATOM 0 HD12 LEU A 25 -2.800 3.989 -2.662 1.00 1.57 H new ATOM 0 HD13 LEU A 25 -1.140 3.537 -2.209 1.00 1.57 H new ATOM 0 HD21 LEU A 25 -1.874 1.095 -0.584 1.00 1.78 H new ATOM 0 HD22 LEU A 25 -0.744 2.335 0.010 1.00 1.78 H new ATOM 0 HD23 LEU A 25 -2.151 1.869 0.995 1.00 1.78 H new ATOM 371 N ARG A 26 -3.235 7.579 0.816 1.00 0.63 N ATOM 372 CA ARG A 26 -3.755 8.417 1.874 1.00 0.68 C ATOM 373 C ARG A 26 -5.171 8.931 1.548 1.00 1.10 C ATOM 374 O ARG A 26 -5.968 9.159 2.453 1.00 1.45 O ATOM 375 CB ARG A 26 -2.820 9.562 2.226 1.00 0.71 C ATOM 376 CG ARG A 26 -2.502 10.442 1.033 1.00 2.43 C ATOM 377 CD ARG A 26 -1.657 11.647 1.461 1.00 2.98 C ATOM 378 NE ARG A 26 -0.398 11.218 2.096 1.00 4.47 N ATOM 379 CZ ARG A 26 0.402 11.995 2.846 1.00 5.54 C ATOM 380 NH1 ARG A 26 0.089 13.284 3.026 1.00 5.41 N ATOM 381 NH2 ARG A 26 1.506 11.488 3.407 1.00 7.25 N ATOM 0 H ARG A 26 -2.341 7.884 0.431 1.00 0.63 H new ATOM 0 HA ARG A 26 -3.825 7.785 2.759 1.00 0.68 H new ATOM 0 HB2 ARG A 26 -3.273 10.169 3.010 1.00 0.71 H new ATOM 0 HB3 ARG A 26 -1.893 9.158 2.632 1.00 0.71 H new ATOM 0 HG2 ARG A 26 -1.966 9.864 0.281 1.00 2.43 H new ATOM 0 HG3 ARG A 26 -3.427 10.786 0.571 1.00 2.43 H new ATOM 0 HD2 ARG A 26 -1.436 12.266 0.592 1.00 2.98 H new ATOM 0 HD3 ARG A 26 -2.226 12.265 2.156 1.00 2.98 H new ATOM 0 HE ARG A 26 -0.110 10.250 1.954 1.00 4.47 H new ATOM 0 HH11 ARG A 26 -0.751 13.670 2.595 1.00 5.41 H new ATOM 0 HH12 ARG A 26 0.691 13.880 3.594 1.00 5.41 H new ATOM 0 HH21 ARG A 26 1.745 10.506 3.267 1.00 7.25 H new ATOM 0 HH22 ARG A 26 2.109 12.083 3.975 1.00 7.25 H new ATOM 395 N ARG A 27 -5.440 9.173 0.255 1.00 1.37 N ATOM 396 CA ARG A 27 -6.683 9.743 -0.255 1.00 1.94 C ATOM 397 C ARG A 27 -7.663 8.696 -0.784 1.00 1.41 C ATOM 398 O ARG A 27 -8.859 8.972 -0.792 1.00 1.95 O ATOM 399 CB ARG A 27 -6.351 10.737 -1.374 1.00 2.90 C ATOM 400 CG ARG A 27 -5.882 12.083 -0.815 1.00 3.32 C ATOM 401 CD ARG A 27 -7.081 12.942 -0.394 1.00 3.77 C ATOM 402 NE ARG A 27 -6.655 14.259 0.102 1.00 4.18 N ATOM 403 CZ ARG A 27 -7.462 15.134 0.724 1.00 4.85 C ATOM 404 NH1 ARG A 27 -8.750 14.831 0.921 1.00 5.17 N ATOM 405 NH2 ARG A 27 -6.976 16.308 1.147 1.00 5.69 N ATOM 0 H ARG A 27 -4.769 8.967 -0.485 1.00 1.37 H new ATOM 0 HA ARG A 27 -7.176 10.236 0.583 1.00 1.94 H new ATOM 0 HB2 ARG A 27 -5.574 10.318 -2.014 1.00 2.90 H new ATOM 0 HB3 ARG A 27 -7.231 10.889 -1.999 1.00 2.90 H new ATOM 0 HG2 ARG A 27 -5.227 11.919 0.041 1.00 3.32 H new ATOM 0 HG3 ARG A 27 -5.296 12.611 -1.568 1.00 3.32 H new ATOM 0 HD2 ARG A 27 -7.752 13.072 -1.243 1.00 3.77 H new ATOM 0 HD3 ARG A 27 -7.645 12.425 0.382 1.00 3.77 H new ATOM 0 HE ARG A 27 -5.680 14.526 -0.036 1.00 4.18 H new ATOM 0 HH11 ARG A 27 -9.118 13.936 0.599 1.00 5.17 H new ATOM 0 HH12 ARG A 27 -9.364 15.495 1.393 1.00 5.17 H new ATOM 0 HH21 ARG A 27 -5.994 16.537 0.997 1.00 5.69 H new ATOM 0 HH22 ARG A 27 -7.588 16.973 1.619 1.00 5.69 H new ATOM 419 N GLU A 28 -7.164 7.552 -1.265 1.00 0.90 N ATOM 420 CA GLU A 28 -7.957 6.428 -1.766 1.00 0.88 C ATOM 421 C GLU A 28 -9.277 6.269 -1.000 1.00 1.02 C ATOM 422 O GLU A 28 -9.264 6.130 0.225 1.00 1.87 O ATOM 423 CB GLU A 28 -7.118 5.156 -1.621 1.00 0.91 C ATOM 424 CG GLU A 28 -6.510 4.639 -2.920 1.00 1.28 C ATOM 425 CD GLU A 28 -7.507 3.723 -3.616 1.00 1.68 C ATOM 426 OE1 GLU A 28 -8.554 4.257 -4.044 1.00 2.37 O ATOM 427 OE2 GLU A 28 -7.241 2.501 -3.626 1.00 2.46 O ATOM 0 H GLU A 28 -6.160 7.379 -1.317 1.00 0.90 H new ATOM 0 HA GLU A 28 -8.213 6.614 -2.809 1.00 0.88 H new ATOM 0 HB2 GLU A 28 -6.314 5.347 -0.911 1.00 0.91 H new ATOM 0 HB3 GLU A 28 -7.743 4.373 -1.192 1.00 0.91 H new ATOM 0 HG2 GLU A 28 -6.251 5.474 -3.571 1.00 1.28 H new ATOM 0 HG3 GLU A 28 -5.586 4.099 -2.712 1.00 1.28 H new ATOM 434 N GLU A 29 -10.399 6.290 -1.724 1.00 0.85 N ATOM 435 CA GLU A 29 -11.751 6.347 -1.180 1.00 1.08 C ATOM 436 C GLU A 29 -12.096 5.062 -0.417 1.00 0.88 C ATOM 437 O GLU A 29 -12.823 4.200 -0.911 1.00 1.06 O ATOM 438 CB GLU A 29 -12.740 6.615 -2.326 1.00 1.64 C ATOM 439 CG GLU A 29 -12.551 8.011 -2.948 1.00 2.29 C ATOM 440 CD GLU A 29 -12.945 9.148 -2.007 1.00 3.64 C ATOM 441 OE1 GLU A 29 -13.846 8.915 -1.172 1.00 4.62 O ATOM 442 OE2 GLU A 29 -12.351 10.237 -2.152 1.00 4.58 O ATOM 0 H GLU A 29 -10.386 6.267 -2.744 1.00 0.85 H new ATOM 0 HA GLU A 29 -11.819 7.162 -0.460 1.00 1.08 H new ATOM 0 HB2 GLU A 29 -12.613 5.856 -3.098 1.00 1.64 H new ATOM 0 HB3 GLU A 29 -13.760 6.521 -1.952 1.00 1.64 H new ATOM 0 HG2 GLU A 29 -11.508 8.134 -3.239 1.00 2.29 H new ATOM 0 HG3 GLU A 29 -13.146 8.079 -3.859 1.00 2.29 H new ATOM 449 N GLY A 30 -11.565 4.943 0.801 1.00 0.87 N ATOM 450 CA GLY A 30 -11.688 3.757 1.630 1.00 0.69 C ATOM 451 C GLY A 30 -10.504 3.584 2.582 1.00 0.66 C ATOM 452 O GLY A 30 -10.645 2.980 3.647 1.00 1.05 O ATOM 0 H GLY A 30 -11.027 5.689 1.242 1.00 0.87 H new ATOM 0 HA2 GLY A 30 -12.610 3.816 2.209 1.00 0.69 H new ATOM 0 HA3 GLY A 30 -11.768 2.878 0.991 1.00 0.69 H new ATOM 456 N ILE A 31 -9.325 4.096 2.220 1.00 0.41 N ATOM 457 CA ILE A 31 -8.158 4.014 3.083 1.00 0.37 C ATOM 458 C ILE A 31 -8.405 4.806 4.371 1.00 0.41 C ATOM 459 O ILE A 31 -8.937 5.913 4.340 1.00 0.54 O ATOM 460 CB ILE A 31 -6.907 4.497 2.331 1.00 0.49 C ATOM 461 CG1 ILE A 31 -6.512 3.467 1.249 1.00 0.65 C ATOM 462 CG2 ILE A 31 -5.755 4.785 3.314 1.00 0.80 C ATOM 463 CD1 ILE A 31 -5.520 2.430 1.728 1.00 1.48 C ATOM 0 H ILE A 31 -9.160 4.571 1.333 1.00 0.41 H new ATOM 0 HA ILE A 31 -7.982 2.976 3.366 1.00 0.37 H new ATOM 0 HB ILE A 31 -7.131 5.437 1.826 1.00 0.49 H new ATOM 0 HG12 ILE A 31 -7.411 2.961 0.896 1.00 0.65 H new ATOM 0 HG13 ILE A 31 -6.088 3.995 0.395 1.00 0.65 H new ATOM 0 HG21 ILE A 31 -4.880 5.125 2.760 1.00 0.80 H new ATOM 0 HG22 ILE A 31 -6.062 5.558 4.018 1.00 0.80 H new ATOM 0 HG23 ILE A 31 -5.507 3.875 3.860 1.00 0.80 H new ATOM 0 HD11 ILE A 31 -5.291 1.742 0.914 1.00 1.48 H new ATOM 0 HD12 ILE A 31 -4.605 2.925 2.053 1.00 1.48 H new ATOM 0 HD13 ILE A 31 -5.948 1.875 2.562 1.00 1.48 H new ATOM 475 N TYR A 32 -7.990 4.229 5.502 1.00 0.40 N ATOM 476 CA TYR A 32 -7.965 4.869 6.811 1.00 0.46 C ATOM 477 C TYR A 32 -6.534 5.241 7.206 1.00 0.41 C ATOM 478 O TYR A 32 -6.345 6.205 7.944 1.00 0.56 O ATOM 479 CB TYR A 32 -8.606 3.949 7.860 1.00 0.53 C ATOM 480 CG TYR A 32 -10.088 4.189 8.079 1.00 0.70 C ATOM 481 CD1 TYR A 32 -10.982 4.148 6.993 1.00 1.49 C ATOM 482 CD2 TYR A 32 -10.558 4.565 9.353 1.00 2.10 C ATOM 483 CE1 TYR A 32 -12.322 4.535 7.164 1.00 1.54 C ATOM 484 CE2 TYR A 32 -11.905 4.928 9.528 1.00 2.30 C ATOM 485 CZ TYR A 32 -12.777 4.944 8.429 1.00 1.25 C ATOM 486 OH TYR A 32 -14.066 5.355 8.595 1.00 1.60 O ATOM 0 H TYR A 32 -7.650 3.267 5.527 1.00 0.40 H new ATOM 0 HA TYR A 32 -8.545 5.791 6.761 1.00 0.46 H new ATOM 0 HB2 TYR A 32 -8.459 2.913 7.556 1.00 0.53 H new ATOM 0 HB3 TYR A 32 -8.085 4.080 8.808 1.00 0.53 H new ATOM 0 HD1 TYR A 32 -10.637 3.818 6.024 1.00 1.49 H new ATOM 0 HD2 TYR A 32 -9.883 4.574 10.196 1.00 2.10 H new ATOM 0 HE1 TYR A 32 -13.001 4.518 6.324 1.00 1.54 H new ATOM 0 HE2 TYR A 32 -12.269 5.195 10.509 1.00 2.30 H new ATOM 0 HH TYR A 32 -14.213 5.601 9.532 1.00 1.60 H new ATOM 496 N SER A 33 -5.522 4.487 6.760 1.00 0.33 N ATOM 497 CA SER A 33 -4.133 4.838 7.022 1.00 0.36 C ATOM 498 C SER A 33 -3.221 4.237 5.963 1.00 0.34 C ATOM 499 O SER A 33 -3.523 3.196 5.387 1.00 0.35 O ATOM 500 CB SER A 33 -3.703 4.372 8.422 1.00 0.47 C ATOM 501 OG SER A 33 -2.370 4.767 8.711 1.00 0.82 O ATOM 0 H SER A 33 -5.645 3.632 6.217 1.00 0.33 H new ATOM 0 HA SER A 33 -4.047 5.924 6.982 1.00 0.36 H new ATOM 0 HB2 SER A 33 -4.378 4.789 9.169 1.00 0.47 H new ATOM 0 HB3 SER A 33 -3.785 3.287 8.488 1.00 0.47 H new ATOM 0 HG SER A 33 -2.125 4.458 9.608 1.00 0.82 H new ATOM 507 N ILE A 34 -2.091 4.903 5.757 1.00 0.45 N ATOM 508 CA ILE A 34 -1.034 4.520 4.842 1.00 0.50 C ATOM 509 C ILE A 34 -0.098 3.488 5.481 1.00 0.50 C ATOM 510 O ILE A 34 -0.008 3.394 6.704 1.00 0.59 O ATOM 511 CB ILE A 34 -0.255 5.785 4.434 1.00 0.74 C ATOM 512 CG1 ILE A 34 0.418 6.503 5.633 1.00 2.03 C ATOM 513 CG2 ILE A 34 -1.194 6.780 3.753 1.00 0.93 C ATOM 514 CD1 ILE A 34 1.868 6.106 5.913 1.00 3.07 C ATOM 0 H ILE A 34 -1.881 5.770 6.252 1.00 0.45 H new ATOM 0 HA ILE A 34 -1.471 4.055 3.958 1.00 0.50 H new ATOM 0 HB ILE A 34 0.530 5.450 3.756 1.00 0.74 H new ATOM 0 HG12 ILE A 34 0.382 7.578 5.456 1.00 2.03 H new ATOM 0 HG13 ILE A 34 -0.172 6.308 6.528 1.00 2.03 H new ATOM 0 HG21 ILE A 34 -0.635 7.671 3.468 1.00 0.93 H new ATOM 0 HG22 ILE A 34 -1.626 6.322 2.863 1.00 0.93 H new ATOM 0 HG23 ILE A 34 -1.992 7.057 4.442 1.00 0.93 H new ATOM 0 HD11 ILE A 34 2.240 6.667 6.770 1.00 3.07 H new ATOM 0 HD12 ILE A 34 1.918 5.039 6.129 1.00 3.07 H new ATOM 0 HD13 ILE A 34 2.481 6.329 5.040 1.00 3.07 H new ATOM 526 N LEU A 35 0.600 2.735 4.626 1.00 0.57 N ATOM 527 CA LEU A 35 1.625 1.766 4.938 1.00 0.63 C ATOM 528 C LEU A 35 2.998 2.393 5.137 1.00 0.54 C ATOM 529 O LEU A 35 3.431 3.216 4.341 1.00 0.72 O ATOM 530 CB LEU A 35 1.714 0.754 3.793 1.00 0.78 C ATOM 531 CG LEU A 35 1.947 1.309 2.368 1.00 0.85 C ATOM 532 CD1 LEU A 35 3.375 1.114 1.854 1.00 1.43 C ATOM 533 CD2 LEU A 35 0.989 0.588 1.414 1.00 1.99 C ATOM 0 H LEU A 35 0.441 2.802 3.621 1.00 0.57 H new ATOM 0 HA LEU A 35 1.343 1.291 5.877 1.00 0.63 H new ATOM 0 HB2 LEU A 35 2.522 0.059 4.020 1.00 0.78 H new ATOM 0 HB3 LEU A 35 0.790 0.176 3.782 1.00 0.78 H new ATOM 0 HG LEU A 35 1.770 2.384 2.410 1.00 0.85 H new ATOM 0 HD11 LEU A 35 3.460 1.529 0.849 1.00 1.43 H new ATOM 0 HD12 LEU A 35 4.073 1.624 2.517 1.00 1.43 H new ATOM 0 HD13 LEU A 35 3.610 0.050 1.828 1.00 1.43 H new ATOM 0 HD21 LEU A 35 1.134 0.963 0.401 1.00 1.99 H new ATOM 0 HD22 LEU A 35 1.190 -0.483 1.437 1.00 1.99 H new ATOM 0 HD23 LEU A 35 -0.040 0.771 1.724 1.00 1.99 H new ATOM 545 N VAL A 36 3.694 1.933 6.178 1.00 0.42 N ATOM 546 CA VAL A 36 5.059 2.308 6.483 1.00 0.39 C ATOM 547 C VAL A 36 5.712 1.226 7.355 1.00 0.40 C ATOM 548 O VAL A 36 5.472 1.171 8.557 1.00 0.50 O ATOM 549 CB VAL A 36 5.067 3.707 7.132 1.00 0.51 C ATOM 550 CG1 VAL A 36 4.093 3.844 8.316 1.00 0.58 C ATOM 551 CG2 VAL A 36 6.487 4.097 7.555 1.00 0.67 C ATOM 0 H VAL A 36 3.304 1.269 6.847 1.00 0.42 H new ATOM 0 HA VAL A 36 5.657 2.374 5.574 1.00 0.39 H new ATOM 0 HB VAL A 36 4.713 4.398 6.367 1.00 0.51 H new ATOM 0 HG11 VAL A 36 4.153 4.854 8.722 1.00 0.58 H new ATOM 0 HG12 VAL A 36 3.076 3.650 7.975 1.00 0.58 H new ATOM 0 HG13 VAL A 36 4.359 3.125 9.091 1.00 0.58 H new ATOM 0 HG21 VAL A 36 6.472 5.087 8.011 1.00 0.67 H new ATOM 0 HG22 VAL A 36 6.864 3.371 8.276 1.00 0.67 H new ATOM 0 HG23 VAL A 36 7.137 4.110 6.680 1.00 0.67 H new ATOM 561 N ALA A 37 6.569 0.375 6.782 1.00 0.41 N ATOM 562 CA ALA A 37 7.558 -0.360 7.562 1.00 0.45 C ATOM 563 C ALA A 37 8.827 -0.555 6.729 1.00 0.51 C ATOM 564 O ALA A 37 9.397 -1.646 6.643 1.00 0.53 O ATOM 565 CB ALA A 37 6.975 -1.656 8.138 1.00 0.52 C ATOM 0 H ALA A 37 6.594 0.181 5.781 1.00 0.41 H new ATOM 0 HA ALA A 37 7.843 0.223 8.438 1.00 0.45 H new ATOM 0 HB1 ALA A 37 7.742 -2.176 8.713 1.00 0.52 H new ATOM 0 HB2 ALA A 37 6.133 -1.419 8.788 1.00 0.52 H new ATOM 0 HB3 ALA A 37 6.636 -2.296 7.323 1.00 0.52 H new ATOM 571 N LEU A 38 9.293 0.558 6.152 1.00 0.56 N ATOM 572 CA LEU A 38 10.553 0.667 5.421 1.00 0.62 C ATOM 573 C LEU A 38 11.729 0.249 6.313 1.00 0.66 C ATOM 574 O LEU A 38 12.708 -0.297 5.813 1.00 0.71 O ATOM 575 CB LEU A 38 10.674 2.098 4.861 1.00 0.66 C ATOM 576 CG LEU A 38 11.769 2.297 3.793 1.00 0.71 C ATOM 577 CD1 LEU A 38 11.298 3.333 2.761 1.00 0.95 C ATOM 578 CD2 LEU A 38 13.091 2.786 4.399 1.00 1.30 C ATOM 0 H LEU A 38 8.781 1.439 6.185 1.00 0.56 H new ATOM 0 HA LEU A 38 10.574 -0.018 4.574 1.00 0.62 H new ATOM 0 HB2 LEU A 38 9.714 2.385 4.431 1.00 0.66 H new ATOM 0 HB3 LEU A 38 10.869 2.779 5.689 1.00 0.66 H new ATOM 0 HG LEU A 38 11.943 1.327 3.327 1.00 0.71 H new ATOM 0 HD11 LEU A 38 12.072 3.473 2.007 1.00 0.95 H new ATOM 0 HD12 LEU A 38 10.384 2.980 2.282 1.00 0.95 H new ATOM 0 HD13 LEU A 38 11.103 4.282 3.261 1.00 0.95 H new ATOM 0 HD21 LEU A 38 13.830 2.911 3.607 1.00 1.30 H new ATOM 0 HD22 LEU A 38 12.931 3.741 4.900 1.00 1.30 H new ATOM 0 HD23 LEU A 38 13.453 2.054 5.121 1.00 1.30 H new ATOM 590 N MET A 39 11.588 0.442 7.633 1.00 0.69 N ATOM 591 CA MET A 39 12.482 -0.079 8.666 1.00 0.79 C ATOM 592 C MET A 39 12.970 -1.503 8.383 1.00 0.73 C ATOM 593 O MET A 39 14.127 -1.818 8.647 1.00 0.81 O ATOM 594 CB MET A 39 11.810 0.003 10.052 1.00 0.89 C ATOM 595 CG MET A 39 10.402 -0.615 10.119 1.00 1.85 C ATOM 596 SD MET A 39 9.693 -0.843 11.771 1.00 2.91 S ATOM 597 CE MET A 39 10.694 -2.216 12.387 1.00 4.10 C ATOM 0 H MET A 39 10.817 0.987 8.020 1.00 0.69 H new ATOM 0 HA MET A 39 13.369 0.554 8.657 1.00 0.79 H new ATOM 0 HB2 MET A 39 12.447 -0.498 10.780 1.00 0.89 H new ATOM 0 HB3 MET A 39 11.748 1.050 10.350 1.00 0.89 H new ATOM 0 HG2 MET A 39 9.725 0.016 9.542 1.00 1.85 H new ATOM 0 HG3 MET A 39 10.432 -1.586 9.624 1.00 1.85 H new ATOM 0 HE1 MET A 39 10.287 -2.567 13.335 1.00 4.10 H new ATOM 0 HE2 MET A 39 10.680 -3.030 11.663 1.00 4.10 H new ATOM 0 HE3 MET A 39 11.720 -1.880 12.535 1.00 4.10 H new ATOM 607 N ALA A 40 12.074 -2.362 7.890 1.00 0.66 N ATOM 608 CA ALA A 40 12.354 -3.768 7.638 1.00 0.74 C ATOM 609 C ALA A 40 12.207 -4.099 6.154 1.00 0.73 C ATOM 610 O ALA A 40 13.001 -4.859 5.608 1.00 0.97 O ATOM 611 CB ALA A 40 11.406 -4.607 8.494 1.00 0.78 C ATOM 0 H ALA A 40 11.120 -2.090 7.653 1.00 0.66 H new ATOM 0 HA ALA A 40 13.385 -3.995 7.908 1.00 0.74 H new ATOM 0 HB1 ALA A 40 11.599 -5.666 8.320 1.00 0.78 H new ATOM 0 HB2 ALA A 40 11.567 -4.377 9.547 1.00 0.78 H new ATOM 0 HB3 ALA A 40 10.375 -4.378 8.226 1.00 0.78 H new ATOM 617 N GLY A 41 11.174 -3.547 5.513 1.00 0.58 N ATOM 618 CA GLY A 41 10.807 -3.836 4.138 1.00 0.67 C ATOM 619 C GLY A 41 9.374 -4.356 4.109 1.00 0.62 C ATOM 620 O GLY A 41 9.105 -5.418 3.547 1.00 0.81 O ATOM 0 H GLY A 41 10.556 -2.867 5.956 1.00 0.58 H new ATOM 0 HA2 GLY A 41 10.894 -2.937 3.528 1.00 0.67 H new ATOM 0 HA3 GLY A 41 11.485 -4.576 3.714 1.00 0.67 H new ATOM 624 N LYS A 42 8.453 -3.631 4.751 1.00 0.47 N ATOM 625 CA LYS A 42 7.059 -4.001 4.868 1.00 0.52 C ATOM 626 C LYS A 42 6.143 -2.782 4.836 1.00 0.49 C ATOM 627 O LYS A 42 6.596 -1.639 4.790 1.00 0.45 O ATOM 628 CB LYS A 42 6.869 -4.796 6.164 1.00 0.65 C ATOM 629 CG LYS A 42 6.682 -6.283 5.865 1.00 0.72 C ATOM 630 CD LYS A 42 5.735 -6.921 6.887 1.00 2.09 C ATOM 631 CE LYS A 42 4.273 -6.449 6.752 1.00 3.74 C ATOM 632 NZ LYS A 42 3.611 -6.926 5.519 1.00 5.70 N ATOM 0 H LYS A 42 8.673 -2.748 5.213 1.00 0.47 H new ATOM 0 HA LYS A 42 6.784 -4.618 4.012 1.00 0.52 H new ATOM 0 HB2 LYS A 42 7.734 -4.657 6.812 1.00 0.65 H new ATOM 0 HB3 LYS A 42 6.002 -4.417 6.705 1.00 0.65 H new ATOM 0 HG2 LYS A 42 6.281 -6.410 4.860 1.00 0.72 H new ATOM 0 HG3 LYS A 42 7.647 -6.789 5.889 1.00 0.72 H new ATOM 0 HD2 LYS A 42 5.770 -8.005 6.775 1.00 2.09 H new ATOM 0 HD3 LYS A 42 6.091 -6.692 7.892 1.00 2.09 H new ATOM 0 HE2 LYS A 42 3.706 -6.795 7.616 1.00 3.74 H new ATOM 0 HE3 LYS A 42 4.248 -5.359 6.770 1.00 3.74 H new ATOM 0 HZ1 LYS A 42 2.631 -7.198 5.734 1.00 5.70 H new ATOM 0 HZ2 LYS A 42 3.611 -6.166 4.809 1.00 5.70 H new ATOM 0 HZ3 LYS A 42 4.125 -7.749 5.145 1.00 5.70 H new ATOM 646 N ALA A 43 4.837 -3.061 4.837 1.00 0.55 N ATOM 647 CA ALA A 43 3.793 -2.101 4.576 1.00 0.54 C ATOM 648 C ALA A 43 2.517 -2.518 5.322 1.00 0.56 C ATOM 649 O ALA A 43 2.118 -3.684 5.244 1.00 0.70 O ATOM 650 CB ALA A 43 3.598 -2.079 3.058 1.00 0.58 C ATOM 0 H ALA A 43 4.479 -3.997 5.027 1.00 0.55 H new ATOM 0 HA ALA A 43 4.047 -1.101 4.928 1.00 0.54 H new ATOM 0 HB1 ALA A 43 2.815 -1.365 2.802 1.00 0.58 H new ATOM 0 HB2 ALA A 43 4.530 -1.784 2.576 1.00 0.58 H new ATOM 0 HB3 ALA A 43 3.310 -3.072 2.714 1.00 0.58 H new ATOM 656 N GLU A 44 1.906 -1.572 6.053 1.00 0.48 N ATOM 657 CA GLU A 44 0.727 -1.776 6.891 1.00 0.47 C ATOM 658 C GLU A 44 -0.319 -0.701 6.624 1.00 0.43 C ATOM 659 O GLU A 44 -0.443 0.251 7.391 1.00 0.54 O ATOM 660 CB GLU A 44 1.102 -1.711 8.373 1.00 0.58 C ATOM 661 CG GLU A 44 2.268 -2.637 8.687 1.00 2.07 C ATOM 662 CD GLU A 44 2.268 -3.109 10.141 1.00 2.13 C ATOM 663 OE1 GLU A 44 1.159 -3.204 10.731 1.00 2.09 O ATOM 664 OE2 GLU A 44 3.362 -3.455 10.620 1.00 3.47 O ATOM 0 H GLU A 44 2.238 -0.608 6.073 1.00 0.48 H new ATOM 0 HA GLU A 44 0.322 -2.758 6.648 1.00 0.47 H new ATOM 0 HB2 GLU A 44 1.365 -0.687 8.640 1.00 0.58 H new ATOM 0 HB3 GLU A 44 0.241 -1.987 8.981 1.00 0.58 H new ATOM 0 HG2 GLU A 44 2.227 -3.504 8.027 1.00 2.07 H new ATOM 0 HG3 GLU A 44 3.204 -2.120 8.476 1.00 2.07 H new ATOM 671 N VAL A 45 -1.077 -0.844 5.547 1.00 0.43 N ATOM 672 CA VAL A 45 -2.123 0.113 5.233 1.00 0.45 C ATOM 673 C VAL A 45 -3.376 -0.291 6.020 1.00 0.52 C ATOM 674 O VAL A 45 -3.480 -1.429 6.475 1.00 0.81 O ATOM 675 CB VAL A 45 -2.277 0.235 3.703 1.00 0.54 C ATOM 676 CG1 VAL A 45 -1.807 -0.985 2.908 1.00 1.56 C ATOM 677 CG2 VAL A 45 -3.705 0.523 3.254 1.00 1.59 C ATOM 0 H VAL A 45 -0.987 -1.610 4.880 1.00 0.43 H new ATOM 0 HA VAL A 45 -1.886 1.129 5.549 1.00 0.45 H new ATOM 0 HB VAL A 45 -1.625 1.081 3.484 1.00 0.54 H new ATOM 0 HG11 VAL A 45 -1.955 -0.805 1.843 1.00 1.56 H new ATOM 0 HG12 VAL A 45 -0.749 -1.161 3.103 1.00 1.56 H new ATOM 0 HG13 VAL A 45 -2.382 -1.860 3.211 1.00 1.56 H new ATOM 0 HG21 VAL A 45 -3.737 0.596 2.167 1.00 1.59 H new ATOM 0 HG22 VAL A 45 -4.360 -0.284 3.583 1.00 1.59 H new ATOM 0 HG23 VAL A 45 -4.041 1.464 3.690 1.00 1.59 H new ATOM 687 N ARG A 46 -4.319 0.633 6.220 1.00 0.39 N ATOM 688 CA ARG A 46 -5.629 0.330 6.770 1.00 0.35 C ATOM 689 C ARG A 46 -6.685 0.725 5.751 1.00 0.33 C ATOM 690 O ARG A 46 -6.604 1.817 5.193 1.00 0.39 O ATOM 691 CB ARG A 46 -5.830 1.018 8.123 1.00 0.43 C ATOM 692 CG ARG A 46 -7.111 0.486 8.769 1.00 0.48 C ATOM 693 CD ARG A 46 -7.395 1.120 10.128 1.00 0.72 C ATOM 694 NE ARG A 46 -8.709 0.666 10.608 1.00 1.81 N ATOM 695 CZ ARG A 46 -9.064 0.529 11.894 1.00 2.46 C ATOM 696 NH1 ARG A 46 -8.281 1.030 12.856 1.00 2.25 N ATOM 697 NH2 ARG A 46 -10.202 -0.101 12.207 1.00 3.90 N ATOM 0 H ARG A 46 -4.187 1.620 6.000 1.00 0.39 H new ATOM 0 HA ARG A 46 -5.717 -0.739 6.963 1.00 0.35 H new ATOM 0 HB2 ARG A 46 -4.975 0.829 8.772 1.00 0.43 H new ATOM 0 HB3 ARG A 46 -5.896 2.098 7.990 1.00 0.43 H new ATOM 0 HG2 ARG A 46 -7.953 0.673 8.103 1.00 0.48 H new ATOM 0 HG3 ARG A 46 -7.031 -0.595 8.887 1.00 0.48 H new ATOM 0 HD2 ARG A 46 -6.618 0.843 10.841 1.00 0.72 H new ATOM 0 HD3 ARG A 46 -7.380 2.207 10.046 1.00 0.72 H new ATOM 0 HE ARG A 46 -9.410 0.436 9.903 1.00 1.81 H new ATOM 0 HH11 ARG A 46 -7.418 1.514 12.610 1.00 2.25 H new ATOM 0 HH12 ARG A 46 -8.547 0.928 13.835 1.00 2.25 H new ATOM 0 HH21 ARG A 46 -10.797 -0.476 11.468 1.00 3.90 H new ATOM 0 HH22 ARG A 46 -10.474 -0.207 13.184 1.00 3.90 H new ATOM 711 N TYR A 47 -7.651 -0.167 5.513 1.00 0.46 N ATOM 712 CA TYR A 47 -8.628 -0.077 4.440 1.00 0.51 C ATOM 713 C TYR A 47 -9.992 -0.560 4.929 1.00 0.48 C ATOM 714 O TYR A 47 -10.190 -0.746 6.132 1.00 0.55 O ATOM 715 CB TYR A 47 -8.141 -0.904 3.241 1.00 0.55 C ATOM 716 CG TYR A 47 -8.422 -2.401 3.303 1.00 0.54 C ATOM 717 CD1 TYR A 47 -7.861 -3.204 4.313 1.00 1.99 C ATOM 718 CD2 TYR A 47 -9.214 -3.006 2.310 1.00 1.89 C ATOM 719 CE1 TYR A 47 -8.009 -4.601 4.273 1.00 2.00 C ATOM 720 CE2 TYR A 47 -9.228 -4.401 2.184 1.00 1.92 C ATOM 721 CZ TYR A 47 -8.638 -5.204 3.171 1.00 0.70 C ATOM 722 OH TYR A 47 -8.716 -6.560 3.068 1.00 0.92 O ATOM 0 H TYR A 47 -7.773 -1.001 6.088 1.00 0.46 H new ATOM 0 HA TYR A 47 -8.737 0.961 4.126 1.00 0.51 H new ATOM 0 HB2 TYR A 47 -8.603 -0.505 2.338 1.00 0.55 H new ATOM 0 HB3 TYR A 47 -7.065 -0.760 3.139 1.00 0.55 H new ATOM 0 HD1 TYR A 47 -7.314 -2.745 5.123 1.00 1.99 H new ATOM 0 HD2 TYR A 47 -9.810 -2.396 1.647 1.00 1.89 H new ATOM 0 HE1 TYR A 47 -7.641 -5.209 5.086 1.00 2.00 H new ATOM 0 HE2 TYR A 47 -9.694 -4.859 1.325 1.00 1.92 H new ATOM 0 HH TYR A 47 -9.186 -6.799 2.242 1.00 0.92 H new ATOM 732 N ASN A 48 -10.913 -0.791 3.989 1.00 0.49 N ATOM 733 CA ASN A 48 -12.264 -1.272 4.248 1.00 0.55 C ATOM 734 C ASN A 48 -12.755 -2.167 3.103 1.00 0.55 C ATOM 735 O ASN A 48 -13.195 -1.651 2.083 1.00 0.59 O ATOM 736 CB ASN A 48 -13.215 -0.082 4.476 1.00 0.68 C ATOM 737 CG ASN A 48 -13.430 0.806 3.248 1.00 2.01 C ATOM 738 OD1 ASN A 48 -12.501 1.085 2.503 1.00 4.06 O ATOM 739 ND2 ASN A 48 -14.664 1.244 3.005 1.00 1.96 N ATOM 0 H ASN A 48 -10.728 -0.642 2.997 1.00 0.49 H new ATOM 0 HA ASN A 48 -12.252 -1.878 5.154 1.00 0.55 H new ATOM 0 HB2 ASN A 48 -14.181 -0.464 4.806 1.00 0.68 H new ATOM 0 HB3 ASN A 48 -12.821 0.531 5.287 1.00 0.68 H new ATOM 0 HD21 ASN A 48 -14.848 1.823 2.186 1.00 1.96 H new ATOM 0 HD22 ASN A 48 -15.426 1.000 3.638 1.00 1.96 H new ATOM 746 N PRO A 49 -12.713 -3.502 3.209 1.00 0.55 N ATOM 747 CA PRO A 49 -13.065 -4.359 2.086 1.00 0.59 C ATOM 748 C PRO A 49 -14.575 -4.350 1.819 1.00 0.64 C ATOM 749 O PRO A 49 -15.299 -5.267 2.197 1.00 0.79 O ATOM 750 CB PRO A 49 -12.525 -5.737 2.450 1.00 0.67 C ATOM 751 CG PRO A 49 -12.569 -5.746 3.978 1.00 0.66 C ATOM 752 CD PRO A 49 -12.269 -4.291 4.348 1.00 0.60 C ATOM 0 HA PRO A 49 -12.629 -4.012 1.149 1.00 0.59 H new ATOM 0 HB2 PRO A 49 -13.138 -6.533 2.026 1.00 0.67 H new ATOM 0 HB3 PRO A 49 -11.511 -5.882 2.077 1.00 0.67 H new ATOM 0 HG2 PRO A 49 -13.543 -6.063 4.350 1.00 0.66 H new ATOM 0 HG3 PRO A 49 -11.830 -6.428 4.398 1.00 0.66 H new ATOM 0 HD2 PRO A 49 -12.796 -4.000 5.257 1.00 0.60 H new ATOM 0 HD3 PRO A 49 -11.205 -4.145 4.536 1.00 0.60 H new ATOM 760 N ALA A 50 -15.035 -3.297 1.144 1.00 0.61 N ATOM 761 CA ALA A 50 -16.414 -3.080 0.757 1.00 0.78 C ATOM 762 C ALA A 50 -16.420 -2.324 -0.574 1.00 0.84 C ATOM 763 O ALA A 50 -16.766 -2.893 -1.605 1.00 1.25 O ATOM 764 CB ALA A 50 -17.138 -2.326 1.881 1.00 0.94 C ATOM 0 H ALA A 50 -14.421 -2.541 0.842 1.00 0.61 H new ATOM 0 HA ALA A 50 -16.949 -4.018 0.611 1.00 0.78 H new ATOM 0 HB1 ALA A 50 -18.177 -2.159 1.597 1.00 0.94 H new ATOM 0 HB2 ALA A 50 -17.103 -2.916 2.797 1.00 0.94 H new ATOM 0 HB3 ALA A 50 -16.649 -1.366 2.049 1.00 0.94 H new ATOM 770 N VAL A 51 -16.000 -1.056 -0.556 1.00 0.68 N ATOM 771 CA VAL A 51 -15.968 -0.201 -1.737 1.00 0.83 C ATOM 772 C VAL A 51 -14.625 -0.354 -2.455 1.00 0.73 C ATOM 773 O VAL A 51 -14.572 -0.663 -3.642 1.00 1.04 O ATOM 774 CB VAL A 51 -16.221 1.259 -1.310 1.00 0.98 C ATOM 775 CG1 VAL A 51 -16.115 2.220 -2.501 1.00 1.19 C ATOM 776 CG2 VAL A 51 -17.615 1.402 -0.683 1.00 1.31 C ATOM 0 H VAL A 51 -15.670 -0.593 0.291 1.00 0.68 H new ATOM 0 HA VAL A 51 -16.751 -0.496 -2.436 1.00 0.83 H new ATOM 0 HB VAL A 51 -15.455 1.517 -0.578 1.00 0.98 H new ATOM 0 HG11 VAL A 51 -16.299 3.240 -2.163 1.00 1.19 H new ATOM 0 HG12 VAL A 51 -15.116 2.155 -2.933 1.00 1.19 H new ATOM 0 HG13 VAL A 51 -16.854 1.948 -3.255 1.00 1.19 H new ATOM 0 HG21 VAL A 51 -17.776 2.439 -0.388 1.00 1.31 H new ATOM 0 HG22 VAL A 51 -18.373 1.110 -1.410 1.00 1.31 H new ATOM 0 HG23 VAL A 51 -17.687 0.759 0.194 1.00 1.31 H new ATOM 786 N ILE A 52 -13.538 -0.112 -1.720 1.00 0.48 N ATOM 787 CA ILE A 52 -12.197 0.062 -2.271 1.00 0.58 C ATOM 788 C ILE A 52 -11.683 -1.198 -2.963 1.00 0.73 C ATOM 789 O ILE A 52 -10.950 -1.082 -3.933 1.00 1.28 O ATOM 790 CB ILE A 52 -11.240 0.555 -1.173 1.00 0.60 C ATOM 791 CG1 ILE A 52 -9.811 0.757 -1.684 1.00 0.89 C ATOM 792 CG2 ILE A 52 -11.243 -0.370 0.044 1.00 0.64 C ATOM 793 CD1 ILE A 52 -8.934 1.330 -0.572 1.00 1.37 C ATOM 0 H ILE A 52 -13.568 -0.030 -0.704 1.00 0.48 H new ATOM 0 HA ILE A 52 -12.247 0.823 -3.050 1.00 0.58 H new ATOM 0 HB ILE A 52 -11.619 1.529 -0.864 1.00 0.60 H new ATOM 0 HG12 ILE A 52 -9.402 -0.193 -2.028 1.00 0.89 H new ATOM 0 HG13 ILE A 52 -9.814 1.432 -2.540 1.00 0.89 H new ATOM 0 HG21 ILE A 52 -10.554 0.015 0.795 1.00 0.64 H new ATOM 0 HG22 ILE A 52 -12.248 -0.416 0.463 1.00 0.64 H new ATOM 0 HG23 ILE A 52 -10.929 -1.369 -0.258 1.00 0.64 H new ATOM 0 HD11 ILE A 52 -7.919 1.470 -0.945 1.00 1.37 H new ATOM 0 HD12 ILE A 52 -9.338 2.289 -0.248 1.00 1.37 H new ATOM 0 HD13 ILE A 52 -8.919 0.640 0.271 1.00 1.37 H new ATOM 805 N GLN A 53 -12.066 -2.378 -2.459 1.00 0.47 N ATOM 806 CA GLN A 53 -11.727 -3.703 -2.968 1.00 0.58 C ATOM 807 C GLN A 53 -10.249 -4.073 -2.716 1.00 0.50 C ATOM 808 O GLN A 53 -9.355 -3.462 -3.298 1.00 0.48 O ATOM 809 CB GLN A 53 -12.130 -3.857 -4.448 1.00 0.71 C ATOM 810 CG GLN A 53 -13.527 -4.464 -4.626 1.00 1.02 C ATOM 811 CD GLN A 53 -13.491 -5.982 -4.470 1.00 1.40 C ATOM 812 OE1 GLN A 53 -12.976 -6.685 -5.332 1.00 2.66 O ATOM 813 NE2 GLN A 53 -14.010 -6.511 -3.365 1.00 1.37 N ATOM 0 H GLN A 53 -12.659 -2.430 -1.631 1.00 0.47 H new ATOM 0 HA GLN A 53 -12.315 -4.424 -2.400 1.00 0.58 H new ATOM 0 HB2 GLN A 53 -12.099 -2.880 -4.931 1.00 0.71 H new ATOM 0 HB3 GLN A 53 -11.399 -4.486 -4.955 1.00 0.71 H new ATOM 0 HG2 GLN A 53 -14.209 -4.036 -3.891 1.00 1.02 H new ATOM 0 HG3 GLN A 53 -13.916 -4.206 -5.611 1.00 1.02 H new ATOM 0 HE21 GLN A 53 -14.434 -5.907 -2.661 1.00 1.37 H new ATOM 0 HE22 GLN A 53 -13.984 -7.521 -3.222 1.00 1.37 H new ATOM 822 N PRO A 54 -9.957 -5.107 -1.898 1.00 0.57 N ATOM 823 CA PRO A 54 -8.591 -5.557 -1.657 1.00 0.62 C ATOM 824 C PRO A 54 -7.742 -5.756 -2.925 1.00 0.63 C ATOM 825 O PRO A 54 -6.609 -5.277 -2.947 1.00 0.69 O ATOM 826 CB PRO A 54 -8.663 -6.810 -0.776 1.00 0.77 C ATOM 827 CG PRO A 54 -10.143 -7.180 -0.696 1.00 0.79 C ATOM 828 CD PRO A 54 -10.909 -5.947 -1.180 1.00 0.68 C ATOM 0 HA PRO A 54 -8.053 -4.762 -1.140 1.00 0.62 H new ATOM 0 HB2 PRO A 54 -8.079 -7.624 -1.206 1.00 0.77 H new ATOM 0 HB3 PRO A 54 -8.255 -6.614 0.216 1.00 0.77 H new ATOM 0 HG2 PRO A 54 -10.363 -8.047 -1.319 1.00 0.79 H new ATOM 0 HG3 PRO A 54 -10.426 -7.441 0.324 1.00 0.79 H new ATOM 0 HD2 PRO A 54 -11.734 -6.237 -1.830 1.00 0.68 H new ATOM 0 HD3 PRO A 54 -11.341 -5.407 -0.338 1.00 0.68 H new ATOM 836 N PRO A 55 -8.225 -6.427 -3.990 1.00 0.66 N ATOM 837 CA PRO A 55 -7.443 -6.548 -5.213 1.00 0.71 C ATOM 838 C PRO A 55 -7.146 -5.181 -5.844 1.00 0.68 C ATOM 839 O PRO A 55 -6.077 -4.991 -6.424 1.00 0.89 O ATOM 840 CB PRO A 55 -8.242 -7.470 -6.142 1.00 0.80 C ATOM 841 CG PRO A 55 -9.676 -7.352 -5.632 1.00 0.77 C ATOM 842 CD PRO A 55 -9.486 -7.149 -4.130 1.00 0.71 C ATOM 0 HA PRO A 55 -6.459 -6.972 -5.011 1.00 0.71 H new ATOM 0 HB2 PRO A 55 -8.161 -7.156 -7.183 1.00 0.80 H new ATOM 0 HB3 PRO A 55 -7.883 -8.498 -6.090 1.00 0.80 H new ATOM 0 HG2 PRO A 55 -10.200 -6.513 -6.090 1.00 0.77 H new ATOM 0 HG3 PRO A 55 -10.257 -8.248 -5.849 1.00 0.77 H new ATOM 0 HD2 PRO A 55 -10.313 -6.581 -3.703 1.00 0.71 H new ATOM 0 HD3 PRO A 55 -9.451 -8.104 -3.606 1.00 0.71 H new ATOM 850 N MET A 56 -8.068 -4.221 -5.733 1.00 0.53 N ATOM 851 CA MET A 56 -7.879 -2.918 -6.347 1.00 0.50 C ATOM 852 C MET A 56 -6.802 -2.116 -5.608 1.00 0.44 C ATOM 853 O MET A 56 -5.988 -1.479 -6.268 1.00 0.44 O ATOM 854 CB MET A 56 -9.211 -2.174 -6.438 1.00 0.58 C ATOM 855 CG MET A 56 -10.152 -2.709 -7.525 1.00 1.39 C ATOM 856 SD MET A 56 -9.672 -2.313 -9.230 1.00 2.79 S ATOM 857 CE MET A 56 -9.266 -3.959 -9.851 1.00 4.40 C ATOM 0 H MET A 56 -8.946 -4.327 -5.225 1.00 0.53 H new ATOM 0 HA MET A 56 -7.518 -3.054 -7.367 1.00 0.50 H new ATOM 0 HB2 MET A 56 -9.715 -2.234 -5.474 1.00 0.58 H new ATOM 0 HB3 MET A 56 -9.014 -1.119 -6.630 1.00 0.58 H new ATOM 0 HG2 MET A 56 -10.216 -3.793 -7.426 1.00 1.39 H new ATOM 0 HG3 MET A 56 -11.151 -2.312 -7.345 1.00 1.39 H new ATOM 0 HE1 MET A 56 -8.707 -3.869 -10.782 1.00 4.40 H new ATOM 0 HE2 MET A 56 -8.661 -4.487 -9.114 1.00 4.40 H new ATOM 0 HE3 MET A 56 -10.185 -4.516 -10.032 1.00 4.40 H new ATOM 867 N ILE A 57 -6.743 -2.159 -4.267 1.00 0.46 N ATOM 868 CA ILE A 57 -5.614 -1.608 -3.507 1.00 0.54 C ATOM 869 C ILE A 57 -4.267 -1.961 -4.160 1.00 0.47 C ATOM 870 O ILE A 57 -3.503 -1.063 -4.513 1.00 0.51 O ATOM 871 CB ILE A 57 -5.671 -2.064 -2.034 1.00 0.81 C ATOM 872 CG1 ILE A 57 -6.970 -1.547 -1.406 1.00 0.90 C ATOM 873 CG2 ILE A 57 -4.481 -1.536 -1.218 1.00 1.89 C ATOM 874 CD1 ILE A 57 -7.119 -1.910 0.066 1.00 1.15 C ATOM 0 H ILE A 57 -7.471 -2.573 -3.685 1.00 0.46 H new ATOM 0 HA ILE A 57 -5.698 -0.521 -3.522 1.00 0.54 H new ATOM 0 HB ILE A 57 -5.631 -3.153 -2.019 1.00 0.81 H new ATOM 0 HG12 ILE A 57 -7.008 -0.463 -1.510 1.00 0.90 H new ATOM 0 HG13 ILE A 57 -7.818 -1.951 -1.959 1.00 0.90 H new ATOM 0 HG21 ILE A 57 -4.564 -1.882 -0.188 1.00 1.89 H new ATOM 0 HG22 ILE A 57 -3.551 -1.904 -1.651 1.00 1.89 H new ATOM 0 HG23 ILE A 57 -4.483 -0.446 -1.236 1.00 1.89 H new ATOM 0 HD11 ILE A 57 -8.060 -1.512 0.445 1.00 1.15 H new ATOM 0 HD12 ILE A 57 -7.113 -2.994 0.176 1.00 1.15 H new ATOM 0 HD13 ILE A 57 -6.291 -1.483 0.632 1.00 1.15 H new ATOM 886 N ALA A 58 -3.965 -3.256 -4.324 1.00 0.48 N ATOM 887 CA ALA A 58 -2.782 -3.695 -5.055 1.00 0.56 C ATOM 888 C ALA A 58 -2.656 -2.974 -6.394 1.00 0.54 C ATOM 889 O ALA A 58 -1.628 -2.358 -6.660 1.00 0.60 O ATOM 890 CB ALA A 58 -2.802 -5.209 -5.273 1.00 0.71 C ATOM 0 H ALA A 58 -4.533 -4.019 -3.955 1.00 0.48 H new ATOM 0 HA ALA A 58 -1.913 -3.442 -4.447 1.00 0.56 H new ATOM 0 HB1 ALA A 58 -1.909 -5.510 -5.820 1.00 0.71 H new ATOM 0 HB2 ALA A 58 -2.824 -5.715 -4.308 1.00 0.71 H new ATOM 0 HB3 ALA A 58 -3.688 -5.482 -5.846 1.00 0.71 H new ATOM 896 N GLU A 59 -3.678 -3.041 -7.245 1.00 0.52 N ATOM 897 CA GLU A 59 -3.635 -2.422 -8.558 1.00 0.58 C ATOM 898 C GLU A 59 -3.246 -0.938 -8.479 1.00 0.58 C ATOM 899 O GLU A 59 -2.328 -0.504 -9.171 1.00 0.66 O ATOM 900 CB GLU A 59 -4.978 -2.631 -9.245 1.00 0.62 C ATOM 901 CG GLU A 59 -5.285 -4.125 -9.465 1.00 0.81 C ATOM 902 CD GLU A 59 -4.981 -4.594 -10.878 1.00 1.08 C ATOM 903 OE1 GLU A 59 -3.823 -5.013 -11.096 1.00 1.59 O ATOM 904 OE2 GLU A 59 -5.913 -4.563 -11.707 1.00 2.21 O ATOM 0 H GLU A 59 -4.553 -3.524 -7.041 1.00 0.52 H new ATOM 0 HA GLU A 59 -2.857 -2.898 -9.154 1.00 0.58 H new ATOM 0 HB2 GLU A 59 -5.768 -2.183 -8.642 1.00 0.62 H new ATOM 0 HB3 GLU A 59 -4.979 -2.115 -10.205 1.00 0.62 H new ATOM 0 HG2 GLU A 59 -4.703 -4.717 -8.759 1.00 0.81 H new ATOM 0 HG3 GLU A 59 -6.337 -4.310 -9.245 1.00 0.81 H new ATOM 911 N PHE A 60 -3.883 -0.182 -7.582 1.00 0.52 N ATOM 912 CA PHE A 60 -3.530 1.191 -7.250 1.00 0.55 C ATOM 913 C PHE A 60 -2.028 1.373 -7.013 1.00 0.58 C ATOM 914 O PHE A 60 -1.464 2.417 -7.328 1.00 0.80 O ATOM 915 CB PHE A 60 -4.311 1.625 -5.999 1.00 0.55 C ATOM 916 CG PHE A 60 -4.875 3.016 -6.125 1.00 0.63 C ATOM 917 CD1 PHE A 60 -4.061 4.141 -5.912 1.00 1.82 C ATOM 918 CD2 PHE A 60 -6.195 3.176 -6.573 1.00 1.95 C ATOM 919 CE1 PHE A 60 -4.587 5.431 -6.109 1.00 1.88 C ATOM 920 CE2 PHE A 60 -6.717 4.459 -6.774 1.00 2.00 C ATOM 921 CZ PHE A 60 -5.918 5.590 -6.533 1.00 0.91 C ATOM 0 H PHE A 60 -4.684 -0.524 -7.052 1.00 0.52 H new ATOM 0 HA PHE A 60 -3.795 1.815 -8.103 1.00 0.55 H new ATOM 0 HB2 PHE A 60 -5.124 0.922 -5.820 1.00 0.55 H new ATOM 0 HB3 PHE A 60 -3.654 1.580 -5.131 1.00 0.55 H new ATOM 0 HD1 PHE A 60 -3.035 4.016 -5.598 1.00 1.82 H new ATOM 0 HD2 PHE A 60 -6.809 2.308 -6.763 1.00 1.95 H new ATOM 0 HE1 PHE A 60 -3.968 6.299 -5.935 1.00 1.88 H new ATOM 0 HE2 PHE A 60 -7.735 4.580 -7.115 1.00 2.00 H new ATOM 0 HZ PHE A 60 -6.326 6.580 -6.673 1.00 0.91 H new ATOM 931 N ILE A 61 -1.379 0.383 -6.397 1.00 0.49 N ATOM 932 CA ILE A 61 0.066 0.384 -6.229 1.00 0.54 C ATOM 933 C ILE A 61 0.742 0.056 -7.567 1.00 0.62 C ATOM 934 O ILE A 61 1.696 0.724 -7.968 1.00 0.71 O ATOM 935 CB ILE A 61 0.478 -0.543 -5.071 1.00 0.61 C ATOM 936 CG1 ILE A 61 -0.155 -0.047 -3.757 1.00 0.61 C ATOM 937 CG2 ILE A 61 2.006 -0.563 -4.963 1.00 0.73 C ATOM 938 CD1 ILE A 61 -0.064 -1.069 -2.622 1.00 0.86 C ATOM 0 H ILE A 61 -1.843 -0.436 -6.004 1.00 0.49 H new ATOM 0 HA ILE A 61 0.413 1.377 -5.943 1.00 0.54 H new ATOM 0 HB ILE A 61 0.123 -1.556 -5.261 1.00 0.61 H new ATOM 0 HG12 ILE A 61 0.339 0.874 -3.448 1.00 0.61 H new ATOM 0 HG13 ILE A 61 -1.202 0.197 -3.935 1.00 0.61 H new ATOM 0 HG21 ILE A 61 2.304 -1.218 -4.144 1.00 0.73 H new ATOM 0 HG22 ILE A 61 2.432 -0.931 -5.896 1.00 0.73 H new ATOM 0 HG23 ILE A 61 2.370 0.446 -4.771 1.00 0.73 H new ATOM 0 HD11 ILE A 61 -0.528 -0.659 -1.725 1.00 0.86 H new ATOM 0 HD12 ILE A 61 -0.582 -1.983 -2.913 1.00 0.86 H new ATOM 0 HD13 ILE A 61 0.983 -1.295 -2.419 1.00 0.86 H new ATOM 950 N ARG A 62 0.255 -0.979 -8.261 1.00 0.64 N ATOM 951 CA ARG A 62 0.792 -1.410 -9.548 1.00 0.78 C ATOM 952 C ARG A 62 0.779 -0.289 -10.593 1.00 0.77 C ATOM 953 O ARG A 62 1.594 -0.340 -11.509 1.00 0.86 O ATOM 954 CB ARG A 62 0.051 -2.628 -10.117 1.00 0.98 C ATOM 955 CG ARG A 62 0.073 -3.861 -9.205 1.00 1.06 C ATOM 956 CD ARG A 62 -0.825 -4.963 -9.787 1.00 1.63 C ATOM 957 NE ARG A 62 -0.103 -5.842 -10.718 1.00 1.82 N ATOM 958 CZ ARG A 62 -0.680 -6.774 -11.496 1.00 2.43 C ATOM 959 NH1 ARG A 62 -2.004 -6.817 -11.661 1.00 3.14 N ATOM 960 NH2 ARG A 62 0.086 -7.685 -12.109 1.00 2.67 N ATOM 0 H ARG A 62 -0.531 -1.544 -7.938 1.00 0.64 H new ATOM 0 HA ARG A 62 1.825 -1.690 -9.343 1.00 0.78 H new ATOM 0 HB2 ARG A 62 -0.986 -2.351 -10.310 1.00 0.98 H new ATOM 0 HB3 ARG A 62 0.494 -2.892 -11.077 1.00 0.98 H new ATOM 0 HG2 ARG A 62 1.094 -4.229 -9.102 1.00 1.06 H new ATOM 0 HG3 ARG A 62 -0.270 -3.591 -8.206 1.00 1.06 H new ATOM 0 HD2 ARG A 62 -1.236 -5.560 -8.973 1.00 1.63 H new ATOM 0 HD3 ARG A 62 -1.668 -4.505 -10.304 1.00 1.63 H new ATOM 0 HE ARG A 62 0.910 -5.737 -10.778 1.00 1.82 H new ATOM 0 HH11 ARG A 62 -2.599 -6.134 -11.192 1.00 3.14 H new ATOM 0 HH12 ARG A 62 -2.421 -7.533 -12.256 1.00 3.14 H new ATOM 0 HH21 ARG A 62 1.098 -7.668 -11.984 1.00 2.67 H new ATOM 0 HH22 ARG A 62 -0.343 -8.396 -12.701 1.00 2.67 H new ATOM 974 N GLU A 63 -0.083 0.724 -10.452 1.00 0.73 N ATOM 975 CA GLU A 63 0.004 1.972 -11.214 1.00 0.78 C ATOM 976 C GLU A 63 1.456 2.474 -11.329 1.00 0.82 C ATOM 977 O GLU A 63 1.867 2.968 -12.376 1.00 0.91 O ATOM 978 CB GLU A 63 -0.865 3.050 -10.545 1.00 0.77 C ATOM 979 CG GLU A 63 -2.371 2.749 -10.601 1.00 2.21 C ATOM 980 CD GLU A 63 -2.937 2.815 -12.016 1.00 3.34 C ATOM 981 OE1 GLU A 63 -2.532 3.744 -12.748 1.00 3.25 O ATOM 982 OE2 GLU A 63 -3.767 1.940 -12.338 1.00 4.94 O ATOM 0 H GLU A 63 -0.867 0.699 -9.800 1.00 0.73 H new ATOM 0 HA GLU A 63 -0.360 1.772 -12.222 1.00 0.78 H new ATOM 0 HB2 GLU A 63 -0.562 3.154 -9.503 1.00 0.77 H new ATOM 0 HB3 GLU A 63 -0.676 4.008 -11.029 1.00 0.77 H new ATOM 0 HG2 GLU A 63 -2.554 1.757 -10.188 1.00 2.21 H new ATOM 0 HG3 GLU A 63 -2.902 3.460 -9.969 1.00 2.21 H new ATOM 989 N LEU A 64 2.243 2.340 -10.255 1.00 0.84 N ATOM 990 CA LEU A 64 3.630 2.799 -10.203 1.00 0.94 C ATOM 991 C LEU A 64 4.608 1.778 -10.800 1.00 0.94 C ATOM 992 O LEU A 64 5.779 2.090 -10.998 1.00 1.08 O ATOM 993 CB LEU A 64 4.013 3.051 -8.742 1.00 1.12 C ATOM 994 CG LEU A 64 3.140 4.097 -8.033 1.00 1.24 C ATOM 995 CD1 LEU A 64 3.359 3.952 -6.528 1.00 1.53 C ATOM 996 CD2 LEU A 64 3.500 5.520 -8.477 1.00 1.32 C ATOM 0 H LEU A 64 1.928 1.904 -9.389 1.00 0.84 H new ATOM 0 HA LEU A 64 3.699 3.711 -10.796 1.00 0.94 H new ATOM 0 HB2 LEU A 64 3.950 2.111 -8.194 1.00 1.12 H new ATOM 0 HB3 LEU A 64 5.053 3.375 -8.702 1.00 1.12 H new ATOM 0 HG LEU A 64 2.094 3.929 -8.291 1.00 1.24 H new ATOM 0 HD11 LEU A 64 2.749 4.685 -5.999 1.00 1.53 H new ATOM 0 HD12 LEU A 64 3.073 2.948 -6.214 1.00 1.53 H new ATOM 0 HD13 LEU A 64 4.411 4.120 -6.296 1.00 1.53 H new ATOM 0 HD21 LEU A 64 2.864 6.236 -7.956 1.00 1.32 H new ATOM 0 HD22 LEU A 64 4.544 5.722 -8.239 1.00 1.32 H new ATOM 0 HD23 LEU A 64 3.348 5.615 -9.552 1.00 1.32 H new ATOM 1008 N GLY A 65 4.156 0.548 -11.056 1.00 0.87 N ATOM 1009 CA GLY A 65 4.962 -0.521 -11.626 1.00 0.92 C ATOM 1010 C GLY A 65 5.907 -1.161 -10.608 1.00 0.91 C ATOM 1011 O GLY A 65 6.937 -1.709 -10.995 1.00 1.01 O ATOM 0 H GLY A 65 3.194 0.266 -10.866 1.00 0.87 H new ATOM 0 HA2 GLY A 65 4.303 -1.287 -12.035 1.00 0.92 H new ATOM 0 HA3 GLY A 65 5.545 -0.126 -12.457 1.00 0.92 H new ATOM 1015 N PHE A 66 5.557 -1.133 -9.317 1.00 0.90 N ATOM 1016 CA PHE A 66 6.357 -1.761 -8.269 1.00 0.93 C ATOM 1017 C PHE A 66 5.899 -3.195 -8.002 1.00 0.83 C ATOM 1018 O PHE A 66 4.712 -3.513 -8.092 1.00 0.81 O ATOM 1019 CB PHE A 66 6.302 -0.939 -6.974 1.00 0.96 C ATOM 1020 CG PHE A 66 7.055 0.377 -7.023 1.00 1.23 C ATOM 1021 CD1 PHE A 66 8.431 0.386 -7.324 1.00 1.85 C ATOM 1022 CD2 PHE A 66 6.412 1.581 -6.677 1.00 2.57 C ATOM 1023 CE1 PHE A 66 9.139 1.598 -7.354 1.00 2.25 C ATOM 1024 CE2 PHE A 66 7.130 2.790 -6.681 1.00 3.02 C ATOM 1025 CZ PHE A 66 8.486 2.802 -7.044 1.00 2.38 C ATOM 0 H PHE A 66 4.713 -0.675 -8.974 1.00 0.90 H new ATOM 0 HA PHE A 66 7.388 -1.793 -8.620 1.00 0.93 H new ATOM 0 HB2 PHE A 66 5.259 -0.736 -6.734 1.00 0.96 H new ATOM 0 HB3 PHE A 66 6.705 -1.542 -6.160 1.00 0.96 H new ATOM 0 HD1 PHE A 66 8.943 -0.542 -7.532 1.00 1.85 H new ATOM 0 HD2 PHE A 66 5.366 1.576 -6.408 1.00 2.57 H new ATOM 0 HE1 PHE A 66 10.187 1.604 -7.616 1.00 2.25 H new ATOM 0 HE2 PHE A 66 6.638 3.711 -6.404 1.00 3.02 H new ATOM 0 HZ PHE A 66 9.026 3.736 -7.085 1.00 2.38 H new ATOM 1035 N GLY A 67 6.842 -4.050 -7.594 1.00 0.83 N ATOM 1036 CA GLY A 67 6.573 -5.439 -7.267 1.00 0.82 C ATOM 1037 C GLY A 67 6.023 -5.512 -5.848 1.00 0.76 C ATOM 1038 O GLY A 67 6.722 -5.918 -4.918 1.00 0.86 O ATOM 0 H GLY A 67 7.821 -3.787 -7.483 1.00 0.83 H new ATOM 0 HA2 GLY A 67 5.856 -5.861 -7.972 1.00 0.82 H new ATOM 0 HA3 GLY A 67 7.486 -6.030 -7.349 1.00 0.82 H new ATOM 1042 N ALA A 68 4.772 -5.069 -5.698 1.00 0.69 N ATOM 1043 CA ALA A 68 4.014 -5.158 -4.461 1.00 0.63 C ATOM 1044 C ALA A 68 3.329 -6.523 -4.349 1.00 0.58 C ATOM 1045 O ALA A 68 3.180 -7.233 -5.343 1.00 0.68 O ATOM 1046 CB ALA A 68 2.990 -4.023 -4.414 1.00 0.72 C ATOM 0 H ALA A 68 4.251 -4.629 -6.456 1.00 0.69 H new ATOM 0 HA ALA A 68 4.690 -5.058 -3.612 1.00 0.63 H new ATOM 0 HB1 ALA A 68 2.419 -4.086 -3.488 1.00 0.72 H new ATOM 0 HB2 ALA A 68 3.507 -3.064 -4.457 1.00 0.72 H new ATOM 0 HB3 ALA A 68 2.313 -4.108 -5.264 1.00 0.72 H new ATOM 1052 N THR A 69 2.886 -6.884 -3.143 1.00 0.51 N ATOM 1053 CA THR A 69 2.117 -8.087 -2.882 1.00 0.55 C ATOM 1054 C THR A 69 1.307 -7.822 -1.617 1.00 0.53 C ATOM 1055 O THR A 69 1.849 -7.272 -0.657 1.00 0.74 O ATOM 1056 CB THR A 69 3.013 -9.331 -2.834 1.00 0.59 C ATOM 1057 OG1 THR A 69 2.232 -10.500 -2.698 1.00 1.42 O ATOM 1058 CG2 THR A 69 3.991 -9.256 -1.675 1.00 1.06 C ATOM 0 H THR A 69 3.060 -6.329 -2.305 1.00 0.51 H new ATOM 0 HA THR A 69 1.424 -8.315 -3.692 1.00 0.55 H new ATOM 0 HB THR A 69 3.570 -9.368 -3.770 1.00 0.59 H new ATOM 0 HG1 THR A 69 2.819 -11.284 -2.671 1.00 1.42 H new ATOM 0 HG21 THR A 69 4.613 -10.151 -1.666 1.00 1.06 H new ATOM 0 HG22 THR A 69 4.623 -8.376 -1.789 1.00 1.06 H new ATOM 0 HG23 THR A 69 3.439 -9.188 -0.737 1.00 1.06 H new ATOM 1066 N VAL A 70 0.006 -8.118 -1.656 1.00 0.46 N ATOM 1067 CA VAL A 70 -0.955 -7.783 -0.617 1.00 0.47 C ATOM 1068 C VAL A 70 -1.485 -9.074 -0.005 1.00 0.47 C ATOM 1069 O VAL A 70 -1.722 -10.040 -0.728 1.00 0.56 O ATOM 1070 CB VAL A 70 -2.059 -6.889 -1.206 1.00 0.58 C ATOM 1071 CG1 VAL A 70 -2.846 -7.557 -2.342 1.00 0.69 C ATOM 1072 CG2 VAL A 70 -3.078 -6.468 -0.139 1.00 0.57 C ATOM 0 H VAL A 70 -0.416 -8.614 -2.441 1.00 0.46 H new ATOM 0 HA VAL A 70 -0.488 -7.211 0.185 1.00 0.47 H new ATOM 0 HB VAL A 70 -1.524 -6.025 -1.600 1.00 0.58 H new ATOM 0 HG11 VAL A 70 -3.608 -6.870 -2.710 1.00 0.69 H new ATOM 0 HG12 VAL A 70 -2.166 -7.813 -3.154 1.00 0.69 H new ATOM 0 HG13 VAL A 70 -3.324 -8.463 -1.970 1.00 0.69 H new ATOM 0 HG21 VAL A 70 -3.842 -5.837 -0.594 1.00 0.57 H new ATOM 0 HG22 VAL A 70 -3.546 -7.355 0.287 1.00 0.57 H new ATOM 0 HG23 VAL A 70 -2.571 -5.912 0.649 1.00 0.57 H new ATOM 1082 N ILE A 71 -1.636 -9.096 1.320 1.00 0.50 N ATOM 1083 CA ILE A 71 -2.084 -10.251 2.071 1.00 0.61 C ATOM 1084 C ILE A 71 -3.088 -9.812 3.140 1.00 0.71 C ATOM 1085 O ILE A 71 -2.940 -8.761 3.770 1.00 0.62 O ATOM 1086 CB ILE A 71 -0.900 -11.045 2.625 1.00 0.74 C ATOM 1087 CG1 ILE A 71 -0.043 -10.210 3.580 1.00 1.06 C ATOM 1088 CG2 ILE A 71 -0.053 -11.613 1.473 1.00 1.48 C ATOM 1089 CD1 ILE A 71 0.926 -11.141 4.289 1.00 1.18 C ATOM 0 H ILE A 71 -1.443 -8.285 1.908 1.00 0.50 H new ATOM 0 HA ILE A 71 -2.606 -10.941 1.409 1.00 0.61 H new ATOM 0 HB ILE A 71 -1.301 -11.875 3.206 1.00 0.74 H new ATOM 0 HG12 ILE A 71 0.502 -9.443 3.029 1.00 1.06 H new ATOM 0 HG13 ILE A 71 -0.674 -9.695 4.305 1.00 1.06 H new ATOM 0 HG21 ILE A 71 0.786 -12.176 1.882 1.00 1.48 H new ATOM 0 HG22 ILE A 71 -0.668 -12.272 0.860 1.00 1.48 H new ATOM 0 HG23 ILE A 71 0.323 -10.794 0.860 1.00 1.48 H new ATOM 0 HD11 ILE A 71 1.547 -10.566 4.975 1.00 1.18 H new ATOM 0 HD12 ILE A 71 0.367 -11.891 4.848 1.00 1.18 H new ATOM 0 HD13 ILE A 71 1.560 -11.635 3.553 1.00 1.18 H new