USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=12 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 Single : A 2 SER OG : rot -3:sc= 0.693 USER MOD Single : A 3 SER OG : rot 87:sc= 0.656 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 CYS SG : rot 77:sc= 0.0448 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0967 USER MOD Single : A 16 SER OG : rot 29:sc= 0.225 USER MOD Single : A 17 CYS SG : rot -148:sc= 0.407 USER MOD Single : A 20 ASN : amide:sc= -0.09 X(o=-0.09,f=0) USER MOD Single : A 24 ASN :FLIP amide:sc= -0.78 F(o=-2.1!,f=-0.78) 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 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 173:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.391 K(o=-0.39,f=-2.8!) USER MOD Single : A 53 GLN : amide:sc= -0.2 X(o=-0.2,f=-0.2) USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 17 N SER A 2 -13.328 -1.488 8.978 1.00 1.35 N ATOM 18 CA SER A 2 -12.109 -1.352 8.209 1.00 0.89 C ATOM 19 C SER A 2 -11.019 -2.233 8.814 1.00 0.79 C ATOM 20 O SER A 2 -11.012 -2.457 10.022 1.00 1.14 O ATOM 21 CB SER A 2 -11.713 0.141 8.154 1.00 1.47 C ATOM 22 OG SER A 2 -12.513 0.986 8.995 1.00 2.16 O ATOM 0 HA SER A 2 -12.256 -1.691 7.184 1.00 0.89 H new ATOM 0 HB2 SER A 2 -10.667 0.240 8.445 1.00 1.47 H new ATOM 0 HB3 SER A 2 -11.792 0.490 7.124 1.00 1.47 H new ATOM 0 HG SER A 2 -13.217 0.453 9.420 1.00 2.16 H new ATOM 28 N SER A 3 -10.127 -2.746 7.969 1.00 0.67 N ATOM 29 CA SER A 3 -9.190 -3.821 8.262 1.00 0.57 C ATOM 30 C SER A 3 -7.800 -3.426 7.761 1.00 0.53 C ATOM 31 O SER A 3 -7.678 -2.520 6.942 1.00 0.61 O ATOM 32 CB SER A 3 -9.702 -5.085 7.558 1.00 0.77 C ATOM 33 OG SER A 3 -10.097 -4.772 6.233 1.00 2.11 O ATOM 0 H SER A 3 -10.036 -2.403 7.013 1.00 0.67 H new ATOM 0 HA SER A 3 -9.116 -4.009 9.333 1.00 0.57 H new ATOM 0 HB2 SER A 3 -8.921 -5.846 7.544 1.00 0.77 H new ATOM 0 HB3 SER A 3 -10.545 -5.503 8.109 1.00 0.77 H new ATOM 0 HG SER A 3 -9.322 -4.835 5.637 1.00 2.11 H new ATOM 39 N LYS A 4 -6.746 -4.085 8.250 1.00 0.52 N ATOM 40 CA LYS A 4 -5.380 -3.849 7.800 1.00 0.57 C ATOM 41 C LYS A 4 -5.058 -4.760 6.615 1.00 0.56 C ATOM 42 O LYS A 4 -5.101 -5.979 6.750 1.00 0.78 O ATOM 43 CB LYS A 4 -4.415 -4.059 8.973 1.00 0.70 C ATOM 44 CG LYS A 4 -4.396 -2.817 9.880 1.00 1.24 C ATOM 45 CD LYS A 4 -4.335 -3.214 11.356 1.00 1.69 C ATOM 46 CE LYS A 4 -4.130 -1.968 12.230 1.00 2.77 C ATOM 47 NZ LYS A 4 -3.937 -2.325 13.648 1.00 3.52 N ATOM 0 H LYS A 4 -6.821 -4.800 8.973 1.00 0.52 H new ATOM 0 HA LYS A 4 -5.268 -2.821 7.457 1.00 0.57 H new ATOM 0 HB2 LYS A 4 -4.718 -4.933 9.549 1.00 0.70 H new ATOM 0 HB3 LYS A 4 -3.412 -4.257 8.596 1.00 0.70 H new ATOM 0 HG2 LYS A 4 -3.536 -2.195 9.632 1.00 1.24 H new ATOM 0 HG3 LYS A 4 -5.287 -2.216 9.698 1.00 1.24 H new ATOM 0 HD2 LYS A 4 -5.256 -3.721 11.643 1.00 1.69 H new ATOM 0 HD3 LYS A 4 -3.520 -3.919 11.517 1.00 1.69 H new ATOM 0 HE2 LYS A 4 -3.263 -1.411 11.873 1.00 2.77 H new ATOM 0 HE3 LYS A 4 -4.993 -1.310 12.134 1.00 2.77 H new ATOM 0 HZ1 LYS A 4 -3.802 -1.460 14.209 1.00 3.52 H new ATOM 0 HZ2 LYS A 4 -4.775 -2.835 13.995 1.00 3.52 H new ATOM 0 HZ3 LYS A 4 -3.098 -2.933 13.742 1.00 3.52 H new ATOM 61 N CYS A 5 -4.720 -4.160 5.471 1.00 0.59 N ATOM 62 CA CYS A 5 -4.171 -4.857 4.319 1.00 0.63 C ATOM 63 C CYS A 5 -2.673 -4.969 4.574 1.00 0.51 C ATOM 64 O CYS A 5 -2.000 -3.951 4.753 1.00 0.53 O ATOM 65 CB CYS A 5 -4.427 -4.071 3.024 1.00 0.80 C ATOM 66 SG CYS A 5 -5.000 -5.188 1.728 1.00 1.74 S ATOM 0 H CYS A 5 -4.825 -3.156 5.323 1.00 0.59 H new ATOM 0 HA CYS A 5 -4.638 -5.834 4.195 1.00 0.63 H new ATOM 0 HB2 CYS A 5 -5.171 -3.294 3.201 1.00 0.80 H new ATOM 0 HB3 CYS A 5 -3.513 -3.570 2.706 1.00 0.80 H new ATOM 0 HG CYS A 5 -6.251 -5.478 1.927 1.00 1.74 H new ATOM 72 N TYR A 6 -2.161 -6.194 4.647 1.00 0.49 N ATOM 73 CA TYR A 6 -0.791 -6.466 5.035 1.00 0.53 C ATOM 74 C TYR A 6 -0.004 -6.670 3.743 1.00 0.58 C ATOM 75 O TYR A 6 -0.038 -7.743 3.150 1.00 0.97 O ATOM 76 CB TYR A 6 -0.793 -7.682 5.970 1.00 0.73 C ATOM 77 CG TYR A 6 0.468 -7.854 6.788 1.00 0.96 C ATOM 78 CD1 TYR A 6 1.642 -8.345 6.189 1.00 2.55 C ATOM 79 CD2 TYR A 6 0.459 -7.544 8.161 1.00 1.82 C ATOM 80 CE1 TYR A 6 2.800 -8.535 6.963 1.00 3.20 C ATOM 81 CE2 TYR A 6 1.617 -7.734 8.934 1.00 2.06 C ATOM 82 CZ TYR A 6 2.785 -8.234 8.336 1.00 2.36 C ATOM 83 OH TYR A 6 3.898 -8.447 9.093 1.00 3.13 O ATOM 0 H TYR A 6 -2.698 -7.034 4.434 1.00 0.49 H new ATOM 0 HA TYR A 6 -0.318 -5.655 5.589 1.00 0.53 H new ATOM 0 HB2 TYR A 6 -1.642 -7.599 6.649 1.00 0.73 H new ATOM 0 HB3 TYR A 6 -0.948 -8.581 5.374 1.00 0.73 H new ATOM 0 HD1 TYR A 6 1.654 -8.576 5.134 1.00 2.55 H new ATOM 0 HD2 TYR A 6 -0.439 -7.160 8.621 1.00 1.82 H new ATOM 0 HE1 TYR A 6 3.701 -8.912 6.503 1.00 3.20 H new ATOM 0 HE2 TYR A 6 1.609 -7.496 9.987 1.00 2.06 H new ATOM 0 HH TYR A 6 3.718 -8.185 10.020 1.00 3.13 H new ATOM 93 N ILE A 7 0.653 -5.622 3.255 1.00 0.42 N ATOM 94 CA ILE A 7 1.302 -5.616 1.953 1.00 0.37 C ATOM 95 C ILE A 7 2.814 -5.708 2.182 1.00 0.36 C ATOM 96 O ILE A 7 3.315 -5.332 3.246 1.00 0.48 O ATOM 97 CB ILE A 7 0.858 -4.371 1.144 1.00 0.41 C ATOM 98 CG1 ILE A 7 -0.636 -4.089 1.392 1.00 0.60 C ATOM 99 CG2 ILE A 7 1.111 -4.529 -0.367 1.00 0.35 C ATOM 100 CD1 ILE A 7 -1.270 -3.108 0.401 1.00 0.71 C ATOM 0 H ILE A 7 0.749 -4.742 3.762 1.00 0.42 H new ATOM 0 HA ILE A 7 1.007 -6.473 1.347 1.00 0.37 H new ATOM 0 HB ILE A 7 1.461 -3.531 1.490 1.00 0.41 H new ATOM 0 HG12 ILE A 7 -1.182 -5.031 1.351 1.00 0.60 H new ATOM 0 HG13 ILE A 7 -0.756 -3.695 2.401 1.00 0.60 H new ATOM 0 HG21 ILE A 7 0.782 -3.629 -0.887 1.00 0.35 H new ATOM 0 HG22 ILE A 7 2.176 -4.682 -0.544 1.00 0.35 H new ATOM 0 HG23 ILE A 7 0.554 -5.388 -0.741 1.00 0.35 H new ATOM 0 HD11 ILE A 7 -2.322 -2.968 0.650 1.00 0.71 H new ATOM 0 HD12 ILE A 7 -0.753 -2.150 0.457 1.00 0.71 H new ATOM 0 HD13 ILE A 7 -1.187 -3.507 -0.610 1.00 0.71 H new ATOM 112 N GLN A 8 3.552 -6.220 1.197 1.00 0.39 N ATOM 113 CA GLN A 8 5.003 -6.166 1.177 1.00 0.50 C ATOM 114 C GLN A 8 5.473 -5.733 -0.217 1.00 0.53 C ATOM 115 O GLN A 8 4.733 -5.885 -1.193 1.00 0.48 O ATOM 116 CB GLN A 8 5.561 -7.510 1.666 1.00 0.59 C ATOM 117 CG GLN A 8 7.081 -7.464 1.821 1.00 1.68 C ATOM 118 CD GLN A 8 7.593 -8.528 2.788 1.00 1.61 C ATOM 119 OE1 GLN A 8 7.300 -8.487 3.979 1.00 1.95 O ATOM 120 NE2 GLN A 8 8.365 -9.494 2.296 1.00 2.50 N ATOM 0 H GLN A 8 3.149 -6.688 0.385 1.00 0.39 H new ATOM 0 HA GLN A 8 5.395 -5.416 1.864 1.00 0.50 H new ATOM 0 HB2 GLN A 8 5.105 -7.768 2.622 1.00 0.59 H new ATOM 0 HB3 GLN A 8 5.290 -8.296 0.961 1.00 0.59 H new ATOM 0 HG2 GLN A 8 7.549 -7.606 0.847 1.00 1.68 H new ATOM 0 HG3 GLN A 8 7.379 -6.478 2.177 1.00 1.68 H new ATOM 0 HE21 GLN A 8 8.595 -9.507 1.302 1.00 2.50 H new ATOM 0 HE22 GLN A 8 8.727 -10.222 2.913 1.00 2.50 H new ATOM 129 N VAL A 9 6.667 -5.126 -0.284 1.00 0.65 N ATOM 130 CA VAL A 9 7.204 -4.461 -1.470 1.00 0.80 C ATOM 131 C VAL A 9 8.696 -4.778 -1.589 1.00 0.83 C ATOM 132 O VAL A 9 9.466 -4.488 -0.675 1.00 1.19 O ATOM 133 CB VAL A 9 7.001 -2.937 -1.348 1.00 0.97 C ATOM 134 CG1 VAL A 9 7.588 -2.205 -2.563 1.00 1.79 C ATOM 135 CG2 VAL A 9 5.517 -2.569 -1.215 1.00 1.99 C ATOM 0 H VAL A 9 7.302 -5.086 0.513 1.00 0.65 H new ATOM 0 HA VAL A 9 6.683 -4.818 -2.359 1.00 0.80 H new ATOM 0 HB VAL A 9 7.523 -2.624 -0.444 1.00 0.97 H new ATOM 0 HG11 VAL A 9 7.431 -1.132 -2.452 1.00 1.79 H new ATOM 0 HG12 VAL A 9 8.656 -2.411 -2.631 1.00 1.79 H new ATOM 0 HG13 VAL A 9 7.094 -2.552 -3.470 1.00 1.79 H new ATOM 0 HG21 VAL A 9 5.417 -1.487 -1.131 1.00 1.99 H new ATOM 0 HG22 VAL A 9 4.976 -2.917 -2.095 1.00 1.99 H new ATOM 0 HG23 VAL A 9 5.103 -3.042 -0.324 1.00 1.99 H new ATOM 145 N THR A 10 9.131 -5.325 -2.725 1.00 0.74 N ATOM 146 CA THR A 10 10.512 -5.720 -2.960 1.00 0.88 C ATOM 147 C THR A 10 11.351 -4.549 -3.470 1.00 0.89 C ATOM 148 O THR A 10 12.019 -4.638 -4.497 1.00 0.95 O ATOM 149 CB THR A 10 10.475 -6.916 -3.920 1.00 1.15 C ATOM 150 OG1 THR A 10 9.556 -6.631 -4.958 1.00 1.99 O ATOM 151 CG2 THR A 10 9.976 -8.161 -3.176 1.00 1.81 C ATOM 0 H THR A 10 8.518 -5.507 -3.520 1.00 0.74 H new ATOM 0 HA THR A 10 11.004 -6.019 -2.034 1.00 0.88 H new ATOM 0 HB THR A 10 11.474 -7.094 -4.317 1.00 1.15 H new ATOM 0 HG1 THR A 10 9.522 -7.386 -5.581 1.00 1.99 H new ATOM 0 HG21 THR A 10 9.951 -9.009 -3.861 1.00 1.81 H new ATOM 0 HG22 THR A 10 10.648 -8.384 -2.348 1.00 1.81 H new ATOM 0 HG23 THR A 10 8.973 -7.977 -2.790 1.00 1.81 H new ATOM 218 N SER A 16 12.726 7.532 -1.552 1.00 0.95 N ATOM 219 CA SER A 16 11.420 8.150 -1.362 1.00 0.92 C ATOM 220 C SER A 16 10.324 7.481 -2.192 1.00 1.02 C ATOM 221 O SER A 16 9.339 8.128 -2.538 1.00 1.88 O ATOM 222 CB SER A 16 11.497 9.654 -1.653 1.00 1.26 C ATOM 223 OG SER A 16 12.574 10.233 -0.938 1.00 1.27 O ATOM 0 HA SER A 16 11.142 8.006 -0.318 1.00 0.92 H new ATOM 0 HB2 SER A 16 11.629 9.819 -2.722 1.00 1.26 H new ATOM 0 HB3 SER A 16 10.561 10.136 -1.370 1.00 1.26 H new ATOM 0 HG SER A 16 13.280 9.565 -0.811 1.00 1.27 H new ATOM 229 N CYS A 17 10.453 6.178 -2.469 1.00 0.84 N ATOM 230 CA CYS A 17 9.401 5.428 -3.157 1.00 0.93 C ATOM 231 C CYS A 17 8.112 5.538 -2.353 1.00 0.74 C ATOM 232 O CYS A 17 7.115 6.095 -2.815 1.00 0.76 O ATOM 233 CB CYS A 17 9.798 3.952 -3.327 1.00 1.12 C ATOM 234 SG CYS A 17 10.280 3.645 -5.043 1.00 2.25 S ATOM 0 H CYS A 17 11.275 5.624 -2.227 1.00 0.84 H new ATOM 0 HA CYS A 17 9.255 5.849 -4.152 1.00 0.93 H new ATOM 0 HB2 CYS A 17 10.623 3.708 -2.658 1.00 1.12 H new ATOM 0 HB3 CYS A 17 8.963 3.307 -3.052 1.00 1.12 H new ATOM 0 HG CYS A 17 9.974 2.424 -5.368 1.00 2.25 H new ATOM 240 N VAL A 18 8.152 5.029 -1.117 1.00 0.64 N ATOM 241 CA VAL A 18 6.968 4.963 -0.275 1.00 0.54 C ATOM 242 C VAL A 18 6.391 6.358 -0.026 1.00 0.56 C ATOM 243 O VAL A 18 5.193 6.460 0.166 1.00 0.71 O ATOM 244 CB VAL A 18 7.200 4.133 1.003 1.00 0.59 C ATOM 245 CG1 VAL A 18 5.922 4.016 1.841 1.00 2.02 C ATOM 246 CG2 VAL A 18 7.666 2.711 0.657 1.00 1.90 C ATOM 0 H VAL A 18 8.997 4.658 -0.683 1.00 0.64 H new ATOM 0 HA VAL A 18 6.198 4.414 -0.816 1.00 0.54 H new ATOM 0 HB VAL A 18 7.967 4.655 1.575 1.00 0.59 H new ATOM 0 HG11 VAL A 18 6.125 3.424 2.733 1.00 2.02 H new ATOM 0 HG12 VAL A 18 5.587 5.011 2.134 1.00 2.02 H new ATOM 0 HG13 VAL A 18 5.144 3.530 1.252 1.00 2.02 H new ATOM 0 HG21 VAL A 18 7.823 2.146 1.576 1.00 1.90 H new ATOM 0 HG22 VAL A 18 6.906 2.216 0.052 1.00 1.90 H new ATOM 0 HG23 VAL A 18 8.600 2.760 0.098 1.00 1.90 H new ATOM 256 N ALA A 19 7.178 7.435 -0.125 1.00 0.74 N ATOM 257 CA ALA A 19 6.660 8.793 0.027 1.00 0.83 C ATOM 258 C ALA A 19 5.540 9.094 -0.978 1.00 0.75 C ATOM 259 O ALA A 19 4.522 9.693 -0.624 1.00 0.76 O ATOM 260 CB ALA A 19 7.791 9.816 -0.115 1.00 1.00 C ATOM 0 H ALA A 19 8.180 7.388 -0.311 1.00 0.74 H new ATOM 0 HA ALA A 19 6.234 8.870 1.027 1.00 0.83 H new ATOM 0 HB1 ALA A 19 7.388 10.822 0.001 1.00 1.00 H new ATOM 0 HB2 ALA A 19 8.543 9.636 0.653 1.00 1.00 H new ATOM 0 HB3 ALA A 19 8.248 9.719 -1.100 1.00 1.00 H new ATOM 266 N ASN A 20 5.710 8.686 -2.242 1.00 0.71 N ATOM 267 CA ASN A 20 4.663 8.897 -3.237 1.00 0.65 C ATOM 268 C ASN A 20 3.435 8.079 -2.858 1.00 0.55 C ATOM 269 O ASN A 20 2.323 8.601 -2.787 1.00 0.57 O ATOM 270 CB ASN A 20 5.140 8.523 -4.645 1.00 0.72 C ATOM 271 CG ASN A 20 3.980 8.608 -5.638 1.00 0.76 C ATOM 272 OD1 ASN A 20 3.683 9.680 -6.154 1.00 1.09 O ATOM 273 ND2 ASN A 20 3.306 7.491 -5.904 1.00 1.22 N ATOM 0 H ASN A 20 6.546 8.218 -2.591 1.00 0.71 H new ATOM 0 HA ASN A 20 4.408 9.957 -3.251 1.00 0.65 H new ATOM 0 HB2 ASN A 20 5.942 9.193 -4.954 1.00 0.72 H new ATOM 0 HB3 ASN A 20 5.551 7.513 -4.641 1.00 0.72 H new ATOM 0 HD21 ASN A 20 2.519 7.512 -6.553 1.00 1.22 H new ATOM 0 HD22 ASN A 20 3.577 6.614 -5.459 1.00 1.22 H new ATOM 280 N ILE A 21 3.651 6.786 -2.607 1.00 0.51 N ATOM 281 CA ILE A 21 2.583 5.871 -2.243 1.00 0.52 C ATOM 282 C ILE A 21 1.853 6.418 -1.004 1.00 0.55 C ATOM 283 O ILE A 21 0.625 6.374 -0.962 1.00 0.62 O ATOM 284 CB ILE A 21 3.130 4.433 -2.090 1.00 0.55 C ATOM 285 CG1 ILE A 21 3.544 3.803 -3.441 1.00 0.62 C ATOM 286 CG2 ILE A 21 2.121 3.478 -1.458 1.00 0.62 C ATOM 287 CD1 ILE A 21 4.994 4.145 -3.779 1.00 1.76 C ATOM 0 H ILE A 21 4.572 6.351 -2.652 1.00 0.51 H new ATOM 0 HA ILE A 21 1.838 5.804 -3.036 1.00 0.52 H new ATOM 0 HB ILE A 21 3.998 4.552 -1.442 1.00 0.55 H new ATOM 0 HG12 ILE A 21 3.422 2.721 -3.395 1.00 0.62 H new ATOM 0 HG13 ILE A 21 2.887 4.164 -4.232 1.00 0.62 H new ATOM 0 HG21 ILE A 21 2.562 2.484 -1.377 1.00 0.62 H new ATOM 0 HG22 ILE A 21 1.852 3.838 -0.465 1.00 0.62 H new ATOM 0 HG23 ILE A 21 1.228 3.429 -2.080 1.00 0.62 H new ATOM 0 HD11 ILE A 21 5.262 3.691 -4.733 1.00 1.76 H new ATOM 0 HD12 ILE A 21 5.106 5.227 -3.848 1.00 1.76 H new ATOM 0 HD13 ILE A 21 5.650 3.761 -2.998 1.00 1.76 H new ATOM 299 N GLU A 22 2.560 7.002 -0.034 1.00 0.66 N ATOM 300 CA GLU A 22 1.967 7.593 1.146 1.00 0.76 C ATOM 301 C GLU A 22 0.856 8.561 0.770 1.00 0.69 C ATOM 302 O GLU A 22 -0.317 8.374 1.104 1.00 0.76 O ATOM 303 CB GLU A 22 3.015 8.227 2.069 1.00 0.85 C ATOM 304 CG GLU A 22 3.665 7.192 2.993 1.00 0.82 C ATOM 305 CD GLU A 22 4.782 7.825 3.810 1.00 1.07 C ATOM 306 OE1 GLU A 22 4.443 8.724 4.611 1.00 2.13 O ATOM 307 OE2 GLU A 22 5.947 7.425 3.602 1.00 2.01 O ATOM 0 H GLU A 22 3.577 7.074 -0.056 1.00 0.66 H new ATOM 0 HA GLU A 22 1.512 6.789 1.724 1.00 0.76 H new ATOM 0 HB2 GLU A 22 3.785 8.710 1.467 1.00 0.85 H new ATOM 0 HB3 GLU A 22 2.546 9.006 2.670 1.00 0.85 H new ATOM 0 HG2 GLU A 22 2.913 6.771 3.661 1.00 0.82 H new ATOM 0 HG3 GLU A 22 4.063 6.368 2.401 1.00 0.82 H new ATOM 314 N ARG A 23 1.239 9.576 0.007 1.00 0.69 N ATOM 315 CA ARG A 23 0.325 10.581 -0.493 1.00 0.75 C ATOM 316 C ARG A 23 -0.715 10.026 -1.473 1.00 0.78 C ATOM 317 O ARG A 23 -1.671 10.740 -1.774 1.00 1.22 O ATOM 318 CB ARG A 23 1.131 11.760 -1.056 1.00 0.88 C ATOM 319 CG ARG A 23 1.399 12.767 0.073 1.00 1.34 C ATOM 320 CD ARG A 23 0.243 13.777 0.172 1.00 1.84 C ATOM 321 NE ARG A 23 0.530 14.984 -0.622 1.00 2.51 N ATOM 322 CZ ARG A 23 1.297 16.009 -0.209 1.00 2.97 C ATOM 323 NH1 ARG A 23 1.821 15.994 1.021 1.00 3.58 N ATOM 324 NH2 ARG A 23 1.542 17.037 -1.029 1.00 3.92 N ATOM 0 H ARG A 23 2.206 9.722 -0.283 1.00 0.69 H new ATOM 0 HA ARG A 23 -0.277 10.944 0.340 1.00 0.75 H new ATOM 0 HB2 ARG A 23 2.072 11.406 -1.476 1.00 0.88 H new ATOM 0 HB3 ARG A 23 0.581 12.240 -1.866 1.00 0.88 H new ATOM 0 HG2 ARG A 23 1.513 12.240 1.020 1.00 1.34 H new ATOM 0 HG3 ARG A 23 2.335 13.293 -0.114 1.00 1.34 H new ATOM 0 HD2 ARG A 23 -0.679 13.316 -0.181 1.00 1.84 H new ATOM 0 HD3 ARG A 23 0.083 14.052 1.215 1.00 1.84 H new ATOM 0 HE ARG A 23 0.117 15.047 -1.553 1.00 2.51 H new ATOM 0 HH11 ARG A 23 1.639 15.207 1.643 1.00 3.58 H new ATOM 0 HH12 ARG A 23 2.403 16.770 1.337 1.00 3.58 H new ATOM 0 HH21 ARG A 23 1.147 17.045 -1.969 1.00 3.92 H new ATOM 0 HH22 ARG A 23 2.124 17.813 -0.714 1.00 3.92 H new ATOM 338 N ASN A 24 -0.592 8.775 -1.931 1.00 0.57 N ATOM 339 CA ASN A 24 -1.616 8.138 -2.739 1.00 0.68 C ATOM 340 C ASN A 24 -2.627 7.429 -1.825 1.00 0.72 C ATOM 341 O ASN A 24 -3.829 7.604 -2.002 1.00 0.85 O ATOM 342 CB ASN A 24 -0.952 7.251 -3.812 1.00 0.71 C ATOM 343 CG ASN A 24 -1.391 5.797 -3.772 1.00 2.32 C ATOM 344 OD1 ASN A 24 -0.744 5.014 -2.923 1.00 3.58 O flip ATOM 345 ND2 ASN A 24 -2.296 5.383 -4.483 1.00 2.96 N flip ATOM 0 H ASN A 24 0.220 8.185 -1.748 1.00 0.57 H new ATOM 0 HA ASN A 24 -2.201 8.869 -3.297 1.00 0.68 H new ATOM 0 HB2 ASN A 24 -1.177 7.660 -4.797 1.00 0.71 H new ATOM 0 HB3 ASN A 24 0.130 7.296 -3.687 1.00 0.71 H new ATOM 0 HD21 ASN A 24 -2.771 6.017 -5.125 1.00 2.96 H new ATOM 0 HD22 ASN A 24 -2.576 4.403 -4.434 1.00 2.96 H new ATOM 352 N LEU A 25 -2.171 6.675 -0.815 1.00 0.73 N ATOM 353 CA LEU A 25 -3.013 5.734 -0.091 1.00 0.73 C ATOM 354 C LEU A 25 -3.504 6.326 1.234 1.00 0.97 C ATOM 355 O LEU A 25 -4.352 5.735 1.890 1.00 1.55 O ATOM 356 CB LEU A 25 -2.239 4.418 0.078 1.00 0.71 C ATOM 357 CG LEU A 25 -2.898 3.180 -0.539 1.00 1.16 C ATOM 358 CD1 LEU A 25 -3.302 3.237 -2.020 1.00 1.97 C ATOM 359 CD2 LEU A 25 -1.966 1.990 -0.328 1.00 1.63 C ATOM 0 H LEU A 25 -1.207 6.706 -0.483 1.00 0.73 H new ATOM 0 HA LEU A 25 -3.919 5.524 -0.659 1.00 0.73 H new ATOM 0 HB2 LEU A 25 -1.250 4.539 -0.364 1.00 0.71 H new ATOM 0 HB3 LEU A 25 -2.093 4.237 1.143 1.00 0.71 H new ATOM 0 HG LEU A 25 -3.853 3.100 -0.020 1.00 1.16 H new ATOM 0 HD11 LEU A 25 -3.754 2.289 -2.311 1.00 1.97 H new ATOM 0 HD12 LEU A 25 -4.020 4.043 -2.170 1.00 1.97 H new ATOM 0 HD13 LEU A 25 -2.418 3.420 -2.631 1.00 1.97 H new ATOM 0 HD21 LEU A 25 -2.415 1.095 -0.760 1.00 1.63 H new ATOM 0 HD22 LEU A 25 -1.010 2.186 -0.813 1.00 1.63 H new ATOM 0 HD23 LEU A 25 -1.807 1.837 0.739 1.00 1.63 H new ATOM 371 N ARG A 26 -2.987 7.496 1.626 1.00 0.71 N ATOM 372 CA ARG A 26 -3.334 8.249 2.828 1.00 0.90 C ATOM 373 C ARG A 26 -4.797 8.115 3.267 1.00 1.58 C ATOM 374 O ARG A 26 -5.082 7.890 4.440 1.00 2.15 O ATOM 375 CB ARG A 26 -2.934 9.718 2.628 1.00 0.62 C ATOM 376 CG ARG A 26 -3.420 10.317 1.300 1.00 2.17 C ATOM 377 CD ARG A 26 -2.908 11.755 1.125 1.00 2.83 C ATOM 378 NE ARG A 26 -3.903 12.773 1.485 1.00 3.86 N ATOM 379 CZ ARG A 26 -4.902 13.158 0.672 1.00 5.29 C ATOM 380 NH1 ARG A 26 -5.199 12.428 -0.410 1.00 6.04 N ATOM 381 NH2 ARG A 26 -5.587 14.276 0.941 1.00 6.52 N ATOM 0 H ARG A 26 -2.270 7.969 1.075 1.00 0.71 H new ATOM 0 HA ARG A 26 -2.770 7.812 3.652 1.00 0.90 H new ATOM 0 HB2 ARG A 26 -3.335 10.309 3.451 1.00 0.62 H new ATOM 0 HB3 ARG A 26 -1.848 9.799 2.677 1.00 0.62 H new ATOM 0 HG2 ARG A 26 -3.074 9.700 0.470 1.00 2.17 H new ATOM 0 HG3 ARG A 26 -4.510 10.309 1.270 1.00 2.17 H new ATOM 0 HD2 ARG A 26 -2.018 11.894 1.739 1.00 2.83 H new ATOM 0 HD3 ARG A 26 -2.606 11.902 0.088 1.00 2.83 H new ATOM 0 HE ARG A 26 -3.832 13.212 2.403 1.00 3.86 H new ATOM 0 HH11 ARG A 26 -4.668 11.582 -0.616 1.00 6.04 H new ATOM 0 HH12 ARG A 26 -5.957 12.718 -1.029 1.00 6.04 H new ATOM 0 HH21 ARG A 26 -5.351 14.834 1.761 1.00 6.52 H new ATOM 0 HH22 ARG A 26 -6.345 14.570 0.325 1.00 6.52 H new ATOM 395 N ARG A 27 -5.700 8.318 2.309 1.00 1.81 N ATOM 396 CA ARG A 27 -7.152 8.314 2.451 1.00 2.59 C ATOM 397 C ARG A 27 -7.810 7.674 1.223 1.00 1.95 C ATOM 398 O ARG A 27 -8.724 6.859 1.356 1.00 2.74 O ATOM 399 CB ARG A 27 -7.676 9.741 2.691 1.00 3.66 C ATOM 400 CG ARG A 27 -7.056 10.328 3.967 1.00 4.70 C ATOM 401 CD ARG A 27 -7.924 11.384 4.664 1.00 5.71 C ATOM 402 NE ARG A 27 -7.935 12.676 3.956 1.00 5.50 N ATOM 403 CZ ARG A 27 -8.389 13.822 4.495 1.00 6.27 C ATOM 404 NH1 ARG A 27 -8.959 13.809 5.705 1.00 7.24 N ATOM 405 NH2 ARG A 27 -8.268 14.979 3.832 1.00 6.46 N ATOM 0 H ARG A 27 -5.415 8.502 1.347 1.00 1.81 H new ATOM 0 HA ARG A 27 -7.416 7.713 3.321 1.00 2.59 H new ATOM 0 HB2 ARG A 27 -7.434 10.373 1.837 1.00 3.66 H new ATOM 0 HB3 ARG A 27 -8.762 9.727 2.779 1.00 3.66 H new ATOM 0 HG2 ARG A 27 -6.859 9.517 4.668 1.00 4.70 H new ATOM 0 HG3 ARG A 27 -6.093 10.774 3.717 1.00 4.70 H new ATOM 0 HD2 ARG A 27 -8.945 11.011 4.745 1.00 5.71 H new ATOM 0 HD3 ARG A 27 -7.558 11.535 5.680 1.00 5.71 H new ATOM 0 HE ARG A 27 -7.577 12.703 3.001 1.00 5.50 H new ATOM 0 HH11 ARG A 27 -9.049 12.931 6.217 1.00 7.24 H new ATOM 0 HH12 ARG A 27 -9.304 14.677 6.116 1.00 7.24 H new ATOM 0 HH21 ARG A 27 -7.829 14.996 2.911 1.00 6.46 H new ATOM 0 HH22 ARG A 27 -8.615 15.844 4.248 1.00 6.46 H new ATOM 419 N GLU A 28 -7.318 8.034 0.029 1.00 1.10 N ATOM 420 CA GLU A 28 -7.718 7.439 -1.237 1.00 0.98 C ATOM 421 C GLU A 28 -9.249 7.475 -1.377 1.00 1.12 C ATOM 422 O GLU A 28 -9.859 8.450 -0.936 1.00 2.22 O ATOM 423 CB GLU A 28 -7.082 6.044 -1.303 1.00 0.99 C ATOM 424 CG GLU A 28 -6.771 5.571 -2.726 1.00 1.18 C ATOM 425 CD GLU A 28 -7.425 4.225 -2.999 1.00 1.65 C ATOM 426 OE1 GLU A 28 -8.674 4.234 -3.007 1.00 2.53 O ATOM 427 OE2 GLU A 28 -6.689 3.226 -3.124 1.00 2.28 O ATOM 0 H GLU A 28 -6.615 8.765 -0.077 1.00 1.10 H new ATOM 0 HA GLU A 28 -7.359 7.998 -2.101 1.00 0.98 H new ATOM 0 HB2 GLU A 28 -6.160 6.048 -0.722 1.00 0.99 H new ATOM 0 HB3 GLU A 28 -7.753 5.327 -0.831 1.00 0.99 H new ATOM 0 HG2 GLU A 28 -7.128 6.307 -3.446 1.00 1.18 H new ATOM 0 HG3 GLU A 28 -5.692 5.491 -2.861 1.00 1.18 H new ATOM 434 N GLU A 29 -9.867 6.431 -1.937 1.00 0.88 N ATOM 435 CA GLU A 29 -11.312 6.241 -1.963 1.00 1.12 C ATOM 436 C GLU A 29 -11.672 5.018 -1.112 1.00 0.92 C ATOM 437 O GLU A 29 -12.240 4.040 -1.596 1.00 1.18 O ATOM 438 CB GLU A 29 -11.803 6.139 -3.420 1.00 1.74 C ATOM 439 CG GLU A 29 -12.278 7.501 -3.950 1.00 2.29 C ATOM 440 CD GLU A 29 -13.679 7.871 -3.459 1.00 2.66 C ATOM 441 OE1 GLU A 29 -14.080 7.361 -2.389 1.00 3.57 O ATOM 442 OE2 GLU A 29 -14.333 8.659 -4.175 1.00 3.20 O ATOM 0 H GLU A 29 -9.358 5.676 -2.396 1.00 0.88 H new ATOM 0 HA GLU A 29 -11.824 7.099 -1.527 1.00 1.12 H new ATOM 0 HB2 GLU A 29 -10.998 5.762 -4.051 1.00 1.74 H new ATOM 0 HB3 GLU A 29 -12.619 5.419 -3.481 1.00 1.74 H new ATOM 0 HG2 GLU A 29 -11.573 8.273 -3.640 1.00 2.29 H new ATOM 0 HG3 GLU A 29 -12.272 7.484 -5.040 1.00 2.29 H new ATOM 449 N GLY A 30 -11.367 5.095 0.189 1.00 0.86 N ATOM 450 CA GLY A 30 -11.825 4.122 1.178 1.00 0.76 C ATOM 451 C GLY A 30 -10.707 3.593 2.068 1.00 0.63 C ATOM 452 O GLY A 30 -10.781 2.446 2.515 1.00 0.94 O ATOM 0 H GLY A 30 -10.792 5.840 0.583 1.00 0.86 H new ATOM 0 HA2 GLY A 30 -12.590 4.583 1.803 1.00 0.76 H new ATOM 0 HA3 GLY A 30 -12.296 3.285 0.663 1.00 0.76 H new ATOM 456 N ILE A 31 -9.690 4.414 2.353 1.00 0.68 N ATOM 457 CA ILE A 31 -8.568 4.031 3.191 1.00 0.59 C ATOM 458 C ILE A 31 -8.520 4.964 4.410 1.00 0.50 C ATOM 459 O ILE A 31 -8.957 6.110 4.348 1.00 0.59 O ATOM 460 CB ILE A 31 -7.296 4.008 2.329 1.00 0.63 C ATOM 461 CG1 ILE A 31 -7.545 3.121 1.093 1.00 1.03 C ATOM 462 CG2 ILE A 31 -6.105 3.478 3.124 1.00 1.11 C ATOM 463 CD1 ILE A 31 -6.283 2.902 0.275 1.00 1.53 C ATOM 0 H ILE A 31 -9.630 5.370 2.001 1.00 0.68 H new ATOM 0 HA ILE A 31 -8.669 3.024 3.596 1.00 0.59 H new ATOM 0 HB ILE A 31 -7.061 5.025 2.015 1.00 0.63 H new ATOM 0 HG12 ILE A 31 -7.939 2.157 1.414 1.00 1.03 H new ATOM 0 HG13 ILE A 31 -8.307 3.583 0.465 1.00 1.03 H new ATOM 0 HG21 ILE A 31 -5.218 3.472 2.490 1.00 1.11 H new ATOM 0 HG22 ILE A 31 -5.930 4.119 3.988 1.00 1.11 H new ATOM 0 HG23 ILE A 31 -6.316 2.463 3.462 1.00 1.11 H new ATOM 0 HD11 ILE A 31 -6.511 2.271 -0.584 1.00 1.53 H new ATOM 0 HD12 ILE A 31 -5.902 3.863 -0.071 1.00 1.53 H new ATOM 0 HD13 ILE A 31 -5.529 2.415 0.893 1.00 1.53 H new ATOM 475 N TYR A 32 -8.073 4.428 5.549 1.00 0.48 N ATOM 476 CA TYR A 32 -8.104 5.063 6.862 1.00 0.53 C ATOM 477 C TYR A 32 -6.726 5.069 7.536 1.00 0.70 C ATOM 478 O TYR A 32 -6.582 5.649 8.613 1.00 1.19 O ATOM 479 CB TYR A 32 -9.127 4.331 7.746 1.00 0.78 C ATOM 480 CG TYR A 32 -10.568 4.763 7.549 1.00 0.96 C ATOM 481 CD1 TYR A 32 -11.287 4.369 6.405 1.00 1.86 C ATOM 482 CD2 TYR A 32 -11.200 5.546 8.535 1.00 2.06 C ATOM 483 CE1 TYR A 32 -12.625 4.771 6.241 1.00 2.08 C ATOM 484 CE2 TYR A 32 -12.547 5.916 8.386 1.00 2.21 C ATOM 485 CZ TYR A 32 -13.252 5.548 7.229 1.00 1.58 C ATOM 486 OH TYR A 32 -14.560 5.909 7.101 1.00 1.94 O ATOM 0 H TYR A 32 -7.661 3.495 5.578 1.00 0.48 H new ATOM 0 HA TYR A 32 -8.396 6.105 6.731 1.00 0.53 H new ATOM 0 HB2 TYR A 32 -9.054 3.261 7.551 1.00 0.78 H new ATOM 0 HB3 TYR A 32 -8.857 4.484 8.791 1.00 0.78 H new ATOM 0 HD1 TYR A 32 -10.811 3.758 5.653 1.00 1.86 H new ATOM 0 HD2 TYR A 32 -10.648 5.863 9.407 1.00 2.06 H new ATOM 0 HE1 TYR A 32 -13.171 4.482 5.355 1.00 2.08 H new ATOM 0 HE2 TYR A 32 -13.040 6.483 9.161 1.00 2.21 H new ATOM 0 HH TYR A 32 -14.829 6.444 7.877 1.00 1.94 H new ATOM 496 N SER A 33 -5.726 4.375 6.992 1.00 0.52 N ATOM 497 CA SER A 33 -4.321 4.586 7.320 1.00 0.53 C ATOM 498 C SER A 33 -3.512 4.063 6.147 1.00 0.50 C ATOM 499 O SER A 33 -4.037 3.277 5.363 1.00 0.60 O ATOM 500 CB SER A 33 -3.883 3.871 8.603 1.00 0.55 C ATOM 501 OG SER A 33 -2.631 4.391 9.002 1.00 0.79 O ATOM 0 H SER A 33 -5.875 3.640 6.301 1.00 0.52 H new ATOM 0 HA SER A 33 -4.160 5.649 7.499 1.00 0.53 H new ATOM 0 HB2 SER A 33 -4.623 4.019 9.390 1.00 0.55 H new ATOM 0 HB3 SER A 33 -3.810 2.797 8.432 1.00 0.55 H new ATOM 0 HG SER A 33 -2.338 3.944 9.823 1.00 0.79 H new ATOM 507 N ILE A 34 -2.249 4.463 6.057 1.00 0.62 N ATOM 508 CA ILE A 34 -1.373 4.194 4.933 1.00 0.63 C ATOM 509 C ILE A 34 -0.190 3.336 5.382 1.00 0.47 C ATOM 510 O ILE A 34 0.182 3.341 6.553 1.00 0.50 O ATOM 511 CB ILE A 34 -0.986 5.528 4.260 1.00 0.90 C ATOM 512 CG1 ILE A 34 0.359 5.493 3.537 1.00 2.23 C ATOM 513 CG2 ILE A 34 -0.943 6.753 5.180 1.00 1.42 C ATOM 514 CD1 ILE A 34 0.239 4.822 2.168 1.00 4.24 C ATOM 0 H ILE A 34 -1.795 5.003 6.794 1.00 0.62 H new ATOM 0 HA ILE A 34 -1.880 3.604 4.169 1.00 0.63 H new ATOM 0 HB ILE A 34 -1.810 5.638 3.555 1.00 0.90 H new ATOM 0 HG12 ILE A 34 0.734 6.509 3.414 1.00 2.23 H new ATOM 0 HG13 ILE A 34 1.087 4.955 4.145 1.00 2.23 H new ATOM 0 HG21 ILE A 34 -0.660 7.633 4.602 1.00 1.42 H new ATOM 0 HG22 ILE A 34 -1.927 6.910 5.623 1.00 1.42 H new ATOM 0 HG23 ILE A 34 -0.211 6.588 5.971 1.00 1.42 H new ATOM 0 HD11 ILE A 34 1.214 4.814 1.680 1.00 4.24 H new ATOM 0 HD12 ILE A 34 -0.112 3.798 2.294 1.00 4.24 H new ATOM 0 HD13 ILE A 34 -0.470 5.376 1.552 1.00 4.24 H new ATOM 526 N LEU A 35 0.420 2.633 4.424 1.00 0.57 N ATOM 527 CA LEU A 35 1.505 1.715 4.647 1.00 0.53 C ATOM 528 C LEU A 35 2.818 2.441 4.874 1.00 0.52 C ATOM 529 O LEU A 35 3.214 3.316 4.109 1.00 0.77 O ATOM 530 CB LEU A 35 1.647 0.776 3.443 1.00 0.61 C ATOM 531 CG LEU A 35 1.957 1.425 2.076 1.00 0.71 C ATOM 532 CD1 LEU A 35 3.426 1.291 1.654 1.00 1.32 C ATOM 533 CD2 LEU A 35 1.093 0.766 0.994 1.00 1.90 C ATOM 0 H LEU A 35 0.151 2.700 3.442 1.00 0.57 H new ATOM 0 HA LEU A 35 1.274 1.142 5.545 1.00 0.53 H new ATOM 0 HB2 LEU A 35 2.438 0.060 3.664 1.00 0.61 H new ATOM 0 HB3 LEU A 35 0.721 0.209 3.346 1.00 0.61 H new ATOM 0 HG LEU A 35 1.738 2.487 2.184 1.00 0.71 H new ATOM 0 HD11 LEU A 35 3.571 1.769 0.685 1.00 1.32 H new ATOM 0 HD12 LEU A 35 4.063 1.773 2.396 1.00 1.32 H new ATOM 0 HD13 LEU A 35 3.689 0.236 1.581 1.00 1.32 H new ATOM 0 HD21 LEU A 35 1.309 1.222 0.028 1.00 1.90 H new ATOM 0 HD22 LEU A 35 1.315 -0.300 0.950 1.00 1.90 H new ATOM 0 HD23 LEU A 35 0.039 0.907 1.234 1.00 1.90 H new ATOM 545 N VAL A 36 3.499 2.028 5.941 1.00 0.38 N ATOM 546 CA VAL A 36 4.803 2.512 6.308 1.00 0.38 C ATOM 547 C VAL A 36 5.509 1.478 7.187 1.00 0.38 C ATOM 548 O VAL A 36 5.368 1.474 8.406 1.00 0.49 O ATOM 549 CB VAL A 36 4.682 3.903 6.955 1.00 0.47 C ATOM 550 CG1 VAL A 36 3.587 3.954 8.032 1.00 0.57 C ATOM 551 CG2 VAL A 36 6.035 4.361 7.512 1.00 0.55 C ATOM 0 H VAL A 36 3.136 1.326 6.586 1.00 0.38 H new ATOM 0 HA VAL A 36 5.428 2.642 5.425 1.00 0.38 H new ATOM 0 HB VAL A 36 4.380 4.599 6.172 1.00 0.47 H new ATOM 0 HG11 VAL A 36 3.542 4.956 8.458 1.00 0.57 H new ATOM 0 HG12 VAL A 36 2.625 3.706 7.584 1.00 0.57 H new ATOM 0 HG13 VAL A 36 3.817 3.236 8.819 1.00 0.57 H new ATOM 0 HG21 VAL A 36 5.927 5.347 7.965 1.00 0.55 H new ATOM 0 HG22 VAL A 36 6.378 3.651 8.265 1.00 0.55 H new ATOM 0 HG23 VAL A 36 6.763 4.411 6.703 1.00 0.55 H new ATOM 561 N ALA A 37 6.312 0.610 6.578 1.00 0.35 N ATOM 562 CA ALA A 37 7.362 -0.081 7.303 1.00 0.39 C ATOM 563 C ALA A 37 8.550 -0.297 6.370 1.00 0.44 C ATOM 564 O ALA A 37 9.171 -1.359 6.383 1.00 0.45 O ATOM 565 CB ALA A 37 6.823 -1.361 7.953 1.00 0.43 C ATOM 0 H ALA A 37 6.252 0.372 5.588 1.00 0.35 H new ATOM 0 HA ALA A 37 7.721 0.525 8.135 1.00 0.39 H new ATOM 0 HB1 ALA A 37 7.628 -1.862 8.491 1.00 0.43 H new ATOM 0 HB2 ALA A 37 6.024 -1.107 8.650 1.00 0.43 H new ATOM 0 HB3 ALA A 37 6.434 -2.025 7.181 1.00 0.43 H new ATOM 571 N LEU A 38 8.889 0.749 5.603 1.00 0.59 N ATOM 572 CA LEU A 38 10.117 0.841 4.813 1.00 0.70 C ATOM 573 C LEU A 38 11.309 0.523 5.719 1.00 0.73 C ATOM 574 O LEU A 38 12.200 -0.231 5.342 1.00 0.77 O ATOM 575 CB LEU A 38 10.218 2.252 4.191 1.00 0.87 C ATOM 576 CG LEU A 38 11.271 2.406 3.072 1.00 0.90 C ATOM 577 CD1 LEU A 38 11.057 3.723 2.316 1.00 1.12 C ATOM 578 CD2 LEU A 38 12.722 2.398 3.578 1.00 1.32 C ATOM 0 H LEU A 38 8.298 1.575 5.515 1.00 0.59 H new ATOM 0 HA LEU A 38 10.112 0.121 3.995 1.00 0.70 H new ATOM 0 HB2 LEU A 38 9.242 2.525 3.789 1.00 0.87 H new ATOM 0 HB3 LEU A 38 10.447 2.965 4.983 1.00 0.87 H new ATOM 0 HG LEU A 38 11.130 1.539 2.427 1.00 0.90 H new ATOM 0 HD11 LEU A 38 11.807 3.818 1.530 1.00 1.12 H new ATOM 0 HD12 LEU A 38 10.062 3.729 1.871 1.00 1.12 H new ATOM 0 HD13 LEU A 38 11.150 4.559 3.009 1.00 1.12 H new ATOM 0 HD21 LEU A 38 13.402 2.511 2.734 1.00 1.32 H new ATOM 0 HD22 LEU A 38 12.869 3.223 4.275 1.00 1.32 H new ATOM 0 HD23 LEU A 38 12.925 1.455 4.085 1.00 1.32 H new ATOM 590 N MET A 39 11.246 1.044 6.950 1.00 0.85 N ATOM 591 CA MET A 39 12.145 0.804 8.075 1.00 1.01 C ATOM 592 C MET A 39 12.680 -0.632 8.156 1.00 0.89 C ATOM 593 O MET A 39 13.799 -0.834 8.619 1.00 1.01 O ATOM 594 CB MET A 39 11.391 1.195 9.356 1.00 1.30 C ATOM 595 CG MET A 39 12.296 1.468 10.567 1.00 2.41 C ATOM 596 SD MET A 39 12.225 3.181 11.168 1.00 4.38 S ATOM 597 CE MET A 39 12.128 2.902 12.950 1.00 4.61 C ATOM 0 H MET A 39 10.503 1.697 7.201 1.00 0.85 H new ATOM 0 HA MET A 39 13.038 1.414 7.939 1.00 1.01 H new ATOM 0 HB2 MET A 39 10.795 2.085 9.155 1.00 1.30 H new ATOM 0 HB3 MET A 39 10.694 0.396 9.611 1.00 1.30 H new ATOM 0 HG2 MET A 39 12.013 0.797 11.378 1.00 2.41 H new ATOM 0 HG3 MET A 39 13.325 1.229 10.300 1.00 2.41 H new ATOM 0 HE1 MET A 39 12.078 3.861 13.466 1.00 4.61 H new ATOM 0 HE2 MET A 39 11.236 2.319 13.179 1.00 4.61 H new ATOM 0 HE3 MET A 39 13.012 2.357 13.282 1.00 4.61 H new ATOM 607 N ALA A 40 11.885 -1.622 7.734 1.00 0.77 N ATOM 608 CA ALA A 40 12.326 -3.005 7.616 1.00 0.81 C ATOM 609 C ALA A 40 12.082 -3.536 6.200 1.00 0.72 C ATOM 610 O ALA A 40 12.977 -4.115 5.589 1.00 0.89 O ATOM 611 CB ALA A 40 11.602 -3.831 8.676 1.00 0.99 C ATOM 0 H ALA A 40 10.912 -1.479 7.464 1.00 0.77 H new ATOM 0 HA ALA A 40 13.400 -3.076 7.787 1.00 0.81 H new ATOM 0 HB1 ALA A 40 11.918 -4.872 8.605 1.00 0.99 H new ATOM 0 HB2 ALA A 40 11.844 -3.445 9.666 1.00 0.99 H new ATOM 0 HB3 ALA A 40 10.526 -3.767 8.515 1.00 0.99 H new ATOM 617 N GLY A 41 10.861 -3.355 5.691 1.00 0.66 N ATOM 618 CA GLY A 41 10.474 -3.660 4.323 1.00 0.71 C ATOM 619 C GLY A 41 9.085 -4.282 4.271 1.00 0.72 C ATOM 620 O GLY A 41 8.910 -5.336 3.669 1.00 0.87 O ATOM 0 H GLY A 41 10.092 -2.978 6.245 1.00 0.66 H new ATOM 0 HA2 GLY A 41 10.490 -2.748 3.726 1.00 0.71 H new ATOM 0 HA3 GLY A 41 11.199 -4.344 3.881 1.00 0.71 H new ATOM 624 N LYS A 42 8.103 -3.642 4.914 1.00 0.60 N ATOM 625 CA LYS A 42 6.702 -4.060 4.949 1.00 0.62 C ATOM 626 C LYS A 42 5.819 -2.824 4.769 1.00 0.50 C ATOM 627 O LYS A 42 6.328 -1.706 4.657 1.00 0.44 O ATOM 628 CB LYS A 42 6.400 -4.783 6.272 1.00 0.72 C ATOM 629 CG LYS A 42 6.943 -6.219 6.272 1.00 0.84 C ATOM 630 CD LYS A 42 7.354 -6.697 7.669 1.00 1.57 C ATOM 631 CE LYS A 42 8.501 -5.831 8.220 1.00 2.22 C ATOM 632 NZ LYS A 42 9.322 -6.561 9.209 1.00 3.25 N ATOM 0 H LYS A 42 8.271 -2.787 5.444 1.00 0.60 H new ATOM 0 HA LYS A 42 6.495 -4.761 4.141 1.00 0.62 H new ATOM 0 HB2 LYS A 42 6.841 -4.227 7.099 1.00 0.72 H new ATOM 0 HB3 LYS A 42 5.323 -4.801 6.439 1.00 0.72 H new ATOM 0 HG2 LYS A 42 6.183 -6.890 5.872 1.00 0.84 H new ATOM 0 HG3 LYS A 42 7.803 -6.278 5.605 1.00 0.84 H new ATOM 0 HD2 LYS A 42 6.498 -6.649 8.343 1.00 1.57 H new ATOM 0 HD3 LYS A 42 7.667 -7.740 7.625 1.00 1.57 H new ATOM 0 HE2 LYS A 42 9.134 -5.502 7.396 1.00 2.22 H new ATOM 0 HE3 LYS A 42 8.088 -4.935 8.683 1.00 2.22 H new ATOM 0 HZ1 LYS A 42 10.082 -5.941 9.554 1.00 3.25 H new ATOM 0 HZ2 LYS A 42 8.724 -6.854 10.008 1.00 3.25 H new ATOM 0 HZ3 LYS A 42 9.738 -7.403 8.761 1.00 3.25 H new ATOM 646 N ALA A 43 4.502 -3.031 4.720 1.00 0.51 N ATOM 647 CA ALA A 43 3.540 -2.029 4.329 1.00 0.41 C ATOM 648 C ALA A 43 2.177 -2.344 4.965 1.00 0.43 C ATOM 649 O ALA A 43 1.573 -3.365 4.646 1.00 0.59 O ATOM 650 CB ALA A 43 3.494 -2.033 2.795 1.00 0.41 C ATOM 0 H ALA A 43 4.076 -3.926 4.959 1.00 0.51 H new ATOM 0 HA ALA A 43 3.816 -1.033 4.676 1.00 0.41 H new ATOM 0 HB1 ALA A 43 2.777 -1.288 2.451 1.00 0.41 H new ATOM 0 HB2 ALA A 43 4.482 -1.795 2.401 1.00 0.41 H new ATOM 0 HB3 ALA A 43 3.190 -3.019 2.443 1.00 0.41 H new ATOM 656 N GLU A 44 1.703 -1.478 5.873 1.00 0.41 N ATOM 657 CA GLU A 44 0.487 -1.697 6.665 1.00 0.47 C ATOM 658 C GLU A 44 -0.538 -0.595 6.366 1.00 0.41 C ATOM 659 O GLU A 44 -0.603 0.405 7.076 1.00 0.49 O ATOM 660 CB GLU A 44 0.843 -1.768 8.164 1.00 0.63 C ATOM 661 CG GLU A 44 -0.358 -2.226 9.013 1.00 2.36 C ATOM 662 CD GLU A 44 -0.065 -2.268 10.510 1.00 2.33 C ATOM 663 OE1 GLU A 44 1.126 -2.404 10.860 1.00 1.82 O ATOM 664 OE2 GLU A 44 -1.050 -2.179 11.280 1.00 3.38 O ATOM 0 H GLU A 44 2.163 -0.591 6.080 1.00 0.41 H new ATOM 0 HA GLU A 44 0.033 -2.649 6.390 1.00 0.47 H new ATOM 0 HB2 GLU A 44 1.675 -2.457 8.308 1.00 0.63 H new ATOM 0 HB3 GLU A 44 1.178 -0.789 8.505 1.00 0.63 H new ATOM 0 HG2 GLU A 44 -1.197 -1.553 8.834 1.00 2.36 H new ATOM 0 HG3 GLU A 44 -0.668 -3.218 8.684 1.00 2.36 H new ATOM 671 N VAL A 45 -1.324 -0.759 5.302 1.00 0.44 N ATOM 672 CA VAL A 45 -2.387 0.178 4.938 1.00 0.44 C ATOM 673 C VAL A 45 -3.689 -0.321 5.572 1.00 0.47 C ATOM 674 O VAL A 45 -3.906 -1.526 5.650 1.00 0.75 O ATOM 675 CB VAL A 45 -2.450 0.335 3.404 1.00 0.52 C ATOM 676 CG1 VAL A 45 -2.603 -0.991 2.666 1.00 1.64 C ATOM 677 CG2 VAL A 45 -3.593 1.237 2.934 1.00 1.75 C ATOM 0 H VAL A 45 -1.241 -1.551 4.664 1.00 0.44 H new ATOM 0 HA VAL A 45 -2.197 1.180 5.322 1.00 0.44 H new ATOM 0 HB VAL A 45 -1.489 0.790 3.162 1.00 0.52 H new ATOM 0 HG11 VAL A 45 -2.641 -0.808 1.592 1.00 1.64 H new ATOM 0 HG12 VAL A 45 -1.754 -1.635 2.895 1.00 1.64 H new ATOM 0 HG13 VAL A 45 -3.524 -1.480 2.983 1.00 1.64 H new ATOM 0 HG21 VAL A 45 -3.580 1.304 1.846 1.00 1.75 H new ATOM 0 HG22 VAL A 45 -4.545 0.818 3.260 1.00 1.75 H new ATOM 0 HG23 VAL A 45 -3.470 2.232 3.361 1.00 1.75 H new ATOM 687 N ARG A 46 -4.550 0.582 6.050 1.00 0.38 N ATOM 688 CA ARG A 46 -5.821 0.232 6.672 1.00 0.36 C ATOM 689 C ARG A 46 -6.957 0.611 5.734 1.00 0.38 C ATOM 690 O ARG A 46 -7.178 1.798 5.512 1.00 0.68 O ATOM 691 CB ARG A 46 -5.962 0.928 8.026 1.00 0.42 C ATOM 692 CG ARG A 46 -7.334 0.641 8.650 1.00 0.56 C ATOM 693 CD ARG A 46 -7.411 1.205 10.076 1.00 0.73 C ATOM 694 NE ARG A 46 -7.166 2.660 10.111 1.00 2.14 N ATOM 695 CZ ARG A 46 -6.909 3.379 11.218 1.00 2.77 C ATOM 696 NH1 ARG A 46 -6.918 2.783 12.414 1.00 2.14 N ATOM 697 NH2 ARG A 46 -6.640 4.687 11.129 1.00 4.66 N ATOM 0 H ARG A 46 -4.378 1.587 6.013 1.00 0.38 H new ATOM 0 HA ARG A 46 -5.858 -0.842 6.851 1.00 0.36 H new ATOM 0 HB2 ARG A 46 -5.174 0.588 8.698 1.00 0.42 H new ATOM 0 HB3 ARG A 46 -5.832 2.003 7.902 1.00 0.42 H new ATOM 0 HG2 ARG A 46 -8.118 1.084 8.036 1.00 0.56 H new ATOM 0 HG3 ARG A 46 -7.513 -0.434 8.669 1.00 0.56 H new ATOM 0 HD2 ARG A 46 -8.394 0.993 10.497 1.00 0.73 H new ATOM 0 HD3 ARG A 46 -6.679 0.699 10.706 1.00 0.73 H new ATOM 0 HE ARG A 46 -7.194 3.161 9.223 1.00 2.14 H new ATOM 0 HH11 ARG A 46 -7.119 1.786 12.485 1.00 2.14 H new ATOM 0 HH12 ARG A 46 -6.723 3.325 13.256 1.00 2.14 H new ATOM 0 HH21 ARG A 46 -6.629 5.145 10.217 1.00 4.66 H new ATOM 0 HH22 ARG A 46 -6.446 5.226 11.973 1.00 4.66 H new ATOM 711 N TYR A 47 -7.676 -0.382 5.215 1.00 0.41 N ATOM 712 CA TYR A 47 -8.657 -0.247 4.155 1.00 0.45 C ATOM 713 C TYR A 47 -10.054 -0.651 4.625 1.00 0.42 C ATOM 714 O TYR A 47 -10.239 -1.025 5.782 1.00 0.46 O ATOM 715 CB TYR A 47 -8.204 -1.104 2.973 1.00 0.51 C ATOM 716 CG TYR A 47 -8.499 -2.597 3.069 1.00 0.50 C ATOM 717 CD1 TYR A 47 -7.738 -3.438 3.905 1.00 1.65 C ATOM 718 CD2 TYR A 47 -9.425 -3.173 2.182 1.00 1.81 C ATOM 719 CE1 TYR A 47 -7.868 -4.839 3.820 1.00 1.67 C ATOM 720 CE2 TYR A 47 -9.435 -4.561 1.991 1.00 1.86 C ATOM 721 CZ TYR A 47 -8.692 -5.402 2.830 1.00 0.75 C ATOM 722 OH TYR A 47 -8.826 -6.747 2.679 1.00 1.01 O ATOM 0 H TYR A 47 -7.582 -1.344 5.541 1.00 0.41 H new ATOM 0 HA TYR A 47 -8.724 0.798 3.853 1.00 0.45 H new ATOM 0 HB2 TYR A 47 -8.678 -0.719 2.070 1.00 0.51 H new ATOM 0 HB3 TYR A 47 -7.129 -0.975 2.849 1.00 0.51 H new ATOM 0 HD1 TYR A 47 -7.050 -3.006 4.616 1.00 1.65 H new ATOM 0 HD2 TYR A 47 -10.126 -2.548 1.650 1.00 1.81 H new ATOM 0 HE1 TYR A 47 -7.337 -5.476 4.512 1.00 1.67 H new ATOM 0 HE2 TYR A 47 -10.021 -4.987 1.190 1.00 1.86 H new ATOM 0 HH TYR A 47 -9.526 -6.934 2.019 1.00 1.01 H new ATOM 732 N ASN A 48 -11.030 -0.595 3.714 1.00 0.52 N ATOM 733 CA ASN A 48 -12.403 -1.032 3.962 1.00 0.60 C ATOM 734 C ASN A 48 -12.907 -1.896 2.799 1.00 0.60 C ATOM 735 O ASN A 48 -13.285 -1.334 1.773 1.00 0.64 O ATOM 736 CB ASN A 48 -13.304 0.197 4.137 1.00 0.73 C ATOM 737 CG ASN A 48 -14.779 -0.184 4.268 1.00 1.13 C ATOM 738 OD1 ASN A 48 -15.128 -1.345 4.450 1.00 1.70 O ATOM 739 ND2 ASN A 48 -15.669 0.799 4.162 1.00 1.69 N ATOM 0 H ASN A 48 -10.884 -0.239 2.769 1.00 0.52 H new ATOM 0 HA ASN A 48 -12.429 -1.632 4.872 1.00 0.60 H new ATOM 0 HB2 ASN A 48 -12.993 0.750 5.023 1.00 0.73 H new ATOM 0 HB3 ASN A 48 -13.177 0.863 3.284 1.00 0.73 H new ATOM 0 HD21 ASN A 48 -16.666 0.594 4.232 1.00 1.69 H new ATOM 0 HD22 ASN A 48 -15.355 1.757 4.011 1.00 1.69 H new ATOM 746 N PRO A 49 -12.955 -3.232 2.917 1.00 0.63 N ATOM 747 CA PRO A 49 -13.445 -4.092 1.849 1.00 0.70 C ATOM 748 C PRO A 49 -14.972 -4.002 1.742 1.00 0.79 C ATOM 749 O PRO A 49 -15.696 -4.926 2.101 1.00 0.93 O ATOM 750 CB PRO A 49 -12.942 -5.485 2.213 1.00 0.78 C ATOM 751 CG PRO A 49 -12.927 -5.468 3.740 1.00 0.78 C ATOM 752 CD PRO A 49 -12.535 -4.025 4.063 1.00 0.68 C ATOM 0 HA PRO A 49 -13.084 -3.803 0.862 1.00 0.70 H new ATOM 0 HB2 PRO A 49 -13.600 -6.263 1.826 1.00 0.78 H new ATOM 0 HB3 PRO A 49 -11.950 -5.674 1.803 1.00 0.78 H new ATOM 0 HG2 PRO A 49 -13.901 -5.725 4.156 1.00 0.78 H new ATOM 0 HG3 PRO A 49 -12.209 -6.182 4.145 1.00 0.78 H new ATOM 0 HD2 PRO A 49 -13.023 -3.682 4.975 1.00 0.68 H new ATOM 0 HD3 PRO A 49 -11.461 -3.939 4.225 1.00 0.68 H new ATOM 760 N ALA A 50 -15.444 -2.864 1.232 1.00 0.75 N ATOM 761 CA ALA A 50 -16.842 -2.546 0.999 1.00 0.89 C ATOM 762 C ALA A 50 -16.970 -1.883 -0.373 1.00 0.82 C ATOM 763 O ALA A 50 -17.761 -2.314 -1.204 1.00 1.07 O ATOM 764 CB ALA A 50 -17.344 -1.621 2.115 1.00 1.15 C ATOM 0 H ALA A 50 -14.823 -2.103 0.958 1.00 0.75 H new ATOM 0 HA ALA A 50 -17.451 -3.450 1.009 1.00 0.89 H new ATOM 0 HB1 ALA A 50 -18.393 -1.380 1.943 1.00 1.15 H new ATOM 0 HB2 ALA A 50 -17.239 -2.122 3.077 1.00 1.15 H new ATOM 0 HB3 ALA A 50 -16.757 -0.703 2.118 1.00 1.15 H new ATOM 770 N VAL A 51 -16.179 -0.826 -0.594 1.00 0.73 N ATOM 771 CA VAL A 51 -16.173 -0.041 -1.821 1.00 0.87 C ATOM 772 C VAL A 51 -14.854 -0.259 -2.563 1.00 0.75 C ATOM 773 O VAL A 51 -14.850 -0.670 -3.720 1.00 1.03 O ATOM 774 CB VAL A 51 -16.406 1.439 -1.465 1.00 1.09 C ATOM 775 CG1 VAL A 51 -16.192 2.362 -2.669 1.00 1.28 C ATOM 776 CG2 VAL A 51 -17.836 1.630 -0.941 1.00 1.48 C ATOM 0 H VAL A 51 -15.510 -0.489 0.098 1.00 0.73 H new ATOM 0 HA VAL A 51 -16.975 -0.358 -2.488 1.00 0.87 H new ATOM 0 HB VAL A 51 -15.679 1.705 -0.698 1.00 1.09 H new ATOM 0 HG11 VAL A 51 -16.367 3.396 -2.371 1.00 1.28 H new ATOM 0 HG12 VAL A 51 -15.169 2.257 -3.031 1.00 1.28 H new ATOM 0 HG13 VAL A 51 -16.887 2.091 -3.463 1.00 1.28 H new ATOM 0 HG21 VAL A 51 -17.995 2.679 -0.691 1.00 1.48 H new ATOM 0 HG22 VAL A 51 -18.548 1.328 -1.709 1.00 1.48 H new ATOM 0 HG23 VAL A 51 -17.982 1.019 -0.051 1.00 1.48 H new ATOM 786 N ILE A 52 -13.735 0.034 -1.895 1.00 0.55 N ATOM 787 CA ILE A 52 -12.420 0.096 -2.527 1.00 0.60 C ATOM 788 C ILE A 52 -12.038 -1.221 -3.206 1.00 0.71 C ATOM 789 O ILE A 52 -11.538 -1.192 -4.323 1.00 1.14 O ATOM 790 CB ILE A 52 -11.354 0.596 -1.534 1.00 0.60 C ATOM 791 CG1 ILE A 52 -9.952 0.475 -2.143 1.00 0.86 C ATOM 792 CG2 ILE A 52 -11.442 -0.055 -0.149 1.00 0.61 C ATOM 793 CD1 ILE A 52 -8.914 1.121 -1.237 1.00 1.22 C ATOM 0 H ILE A 52 -13.719 0.236 -0.895 1.00 0.55 H new ATOM 0 HA ILE A 52 -12.472 0.830 -3.331 1.00 0.60 H new ATOM 0 HB ILE A 52 -11.564 1.651 -1.358 1.00 0.60 H new ATOM 0 HG12 ILE A 52 -9.706 -0.576 -2.295 1.00 0.86 H new ATOM 0 HG13 ILE A 52 -9.934 0.952 -3.123 1.00 0.86 H new ATOM 0 HG21 ILE A 52 -10.659 0.348 0.493 1.00 0.61 H new ATOM 0 HG22 ILE A 52 -12.417 0.156 0.291 1.00 0.61 H new ATOM 0 HG23 ILE A 52 -11.313 -1.133 -0.245 1.00 0.61 H new ATOM 0 HD11 ILE A 52 -7.926 1.024 -1.688 1.00 1.22 H new ATOM 0 HD12 ILE A 52 -9.151 2.177 -1.107 1.00 1.22 H new ATOM 0 HD13 ILE A 52 -8.920 0.626 -0.266 1.00 1.22 H new ATOM 805 N GLN A 53 -12.272 -2.345 -2.520 1.00 0.52 N ATOM 806 CA GLN A 53 -11.992 -3.721 -2.913 1.00 0.58 C ATOM 807 C GLN A 53 -10.517 -4.129 -2.727 1.00 0.53 C ATOM 808 O GLN A 53 -9.626 -3.515 -3.312 1.00 0.50 O ATOM 809 CB GLN A 53 -12.511 -4.058 -4.322 1.00 0.67 C ATOM 810 CG GLN A 53 -14.040 -4.183 -4.363 1.00 1.08 C ATOM 811 CD GLN A 53 -14.512 -5.415 -3.601 1.00 1.43 C ATOM 812 OE1 GLN A 53 -15.155 -5.309 -2.563 1.00 3.15 O ATOM 813 NE2 GLN A 53 -14.153 -6.602 -4.084 1.00 1.49 N ATOM 0 H GLN A 53 -12.700 -2.306 -1.595 1.00 0.52 H new ATOM 0 HA GLN A 53 -12.561 -4.333 -2.214 1.00 0.58 H new ATOM 0 HB2 GLN A 53 -12.193 -3.283 -5.019 1.00 0.67 H new ATOM 0 HB3 GLN A 53 -12.063 -4.993 -4.658 1.00 0.67 H new ATOM 0 HG2 GLN A 53 -14.492 -3.290 -3.932 1.00 1.08 H new ATOM 0 HG3 GLN A 53 -14.375 -4.242 -5.399 1.00 1.08 H new ATOM 0 HE21 GLN A 53 -13.618 -6.659 -4.950 1.00 1.49 H new ATOM 0 HE22 GLN A 53 -14.413 -7.454 -3.588 1.00 1.49 H new ATOM 822 N PRO A 54 -10.236 -5.202 -1.960 1.00 0.61 N ATOM 823 CA PRO A 54 -8.884 -5.703 -1.751 1.00 0.66 C ATOM 824 C PRO A 54 -8.065 -5.894 -3.039 1.00 0.66 C ATOM 825 O PRO A 54 -6.936 -5.405 -3.093 1.00 0.70 O ATOM 826 CB PRO A 54 -8.987 -6.984 -0.915 1.00 0.83 C ATOM 827 CG PRO A 54 -10.481 -7.272 -0.757 1.00 0.86 C ATOM 828 CD PRO A 54 -11.209 -6.022 -1.251 1.00 0.73 C ATOM 0 HA PRO A 54 -8.314 -4.944 -1.215 1.00 0.66 H new ATOM 0 HB2 PRO A 54 -8.481 -7.813 -1.409 1.00 0.83 H new ATOM 0 HB3 PRO A 54 -8.511 -6.854 0.057 1.00 0.83 H new ATOM 0 HG2 PRO A 54 -10.772 -8.147 -1.337 1.00 0.86 H new ATOM 0 HG3 PRO A 54 -10.729 -7.482 0.283 1.00 0.86 H new ATOM 0 HD2 PRO A 54 -12.034 -6.294 -1.909 1.00 0.73 H new ATOM 0 HD3 PRO A 54 -11.637 -5.471 -0.414 1.00 0.73 H new ATOM 836 N PRO A 55 -8.571 -6.576 -4.085 1.00 0.68 N ATOM 837 CA PRO A 55 -7.815 -6.730 -5.320 1.00 0.75 C ATOM 838 C PRO A 55 -7.479 -5.383 -5.971 1.00 0.72 C ATOM 839 O PRO A 55 -6.430 -5.254 -6.603 1.00 0.91 O ATOM 840 CB PRO A 55 -8.653 -7.645 -6.222 1.00 0.84 C ATOM 841 CG PRO A 55 -10.071 -7.506 -5.675 1.00 0.82 C ATOM 842 CD PRO A 55 -9.837 -7.294 -4.182 1.00 0.74 C ATOM 0 HA PRO A 55 -6.839 -7.177 -5.130 1.00 0.75 H new ATOM 0 HB2 PRO A 55 -8.596 -7.337 -7.266 1.00 0.84 H new ATOM 0 HB3 PRO A 55 -8.307 -8.677 -6.175 1.00 0.84 H new ATOM 0 HG2 PRO A 55 -10.598 -6.665 -6.125 1.00 0.82 H new ATOM 0 HG3 PRO A 55 -10.669 -8.397 -5.868 1.00 0.82 H new ATOM 0 HD2 PRO A 55 -10.649 -6.720 -3.735 1.00 0.74 H new ATOM 0 HD3 PRO A 55 -9.790 -8.246 -3.653 1.00 0.74 H new ATOM 850 N MET A 56 -8.337 -4.369 -5.813 1.00 0.60 N ATOM 851 CA MET A 56 -8.074 -3.064 -6.397 1.00 0.56 C ATOM 852 C MET A 56 -6.919 -2.366 -5.675 1.00 0.54 C ATOM 853 O MET A 56 -6.077 -1.775 -6.344 1.00 0.53 O ATOM 854 CB MET A 56 -9.343 -2.209 -6.389 1.00 0.57 C ATOM 855 CG MET A 56 -10.282 -2.505 -7.562 1.00 1.32 C ATOM 856 SD MET A 56 -9.725 -1.840 -9.154 1.00 2.52 S ATOM 857 CE MET A 56 -11.176 -2.181 -10.173 1.00 3.02 C ATOM 0 H MET A 56 -9.210 -4.433 -5.289 1.00 0.60 H new ATOM 0 HA MET A 56 -7.772 -3.202 -7.435 1.00 0.56 H new ATOM 0 HB2 MET A 56 -9.878 -2.375 -5.454 1.00 0.57 H new ATOM 0 HB3 MET A 56 -9.063 -1.156 -6.414 1.00 0.57 H new ATOM 0 HG2 MET A 56 -10.399 -3.585 -7.654 1.00 1.32 H new ATOM 0 HG3 MET A 56 -11.267 -2.096 -7.336 1.00 1.32 H new ATOM 0 HE1 MET A 56 -10.997 -1.831 -11.190 1.00 3.02 H new ATOM 0 HE2 MET A 56 -11.367 -3.254 -10.187 1.00 3.02 H new ATOM 0 HE3 MET A 56 -12.041 -1.664 -9.759 1.00 3.02 H new ATOM 867 N ILE A 57 -6.854 -2.430 -4.336 1.00 0.58 N ATOM 868 CA ILE A 57 -5.722 -1.904 -3.562 1.00 0.67 C ATOM 869 C ILE A 57 -4.383 -2.279 -4.218 1.00 0.58 C ATOM 870 O ILE A 57 -3.616 -1.397 -4.604 1.00 0.61 O ATOM 871 CB ILE A 57 -5.804 -2.361 -2.088 1.00 0.97 C ATOM 872 CG1 ILE A 57 -7.091 -1.803 -1.472 1.00 0.92 C ATOM 873 CG2 ILE A 57 -4.617 -1.852 -1.262 1.00 1.93 C ATOM 874 CD1 ILE A 57 -7.293 -2.141 0.002 1.00 1.22 C ATOM 0 H ILE A 57 -7.585 -2.848 -3.761 1.00 0.58 H new ATOM 0 HA ILE A 57 -5.779 -0.815 -3.562 1.00 0.67 H new ATOM 0 HB ILE A 57 -5.790 -3.451 -2.074 1.00 0.97 H new ATOM 0 HG12 ILE A 57 -7.091 -0.719 -1.585 1.00 0.92 H new ATOM 0 HG13 ILE A 57 -7.942 -2.183 -2.037 1.00 0.92 H new ATOM 0 HG21 ILE A 57 -4.716 -2.197 -0.233 1.00 1.93 H new ATOM 0 HG22 ILE A 57 -3.688 -2.235 -1.685 1.00 1.93 H new ATOM 0 HG23 ILE A 57 -4.602 -0.762 -1.280 1.00 1.93 H new ATOM 0 HD11 ILE A 57 -8.229 -1.704 0.350 1.00 1.22 H new ATOM 0 HD12 ILE A 57 -7.329 -3.223 0.125 1.00 1.22 H new ATOM 0 HD13 ILE A 57 -6.465 -1.737 0.585 1.00 1.22 H new ATOM 886 N ALA A 58 -4.106 -3.581 -4.359 1.00 0.57 N ATOM 887 CA ALA A 58 -2.952 -4.061 -5.107 1.00 0.63 C ATOM 888 C ALA A 58 -2.792 -3.336 -6.441 1.00 0.58 C ATOM 889 O ALA A 58 -1.765 -2.700 -6.655 1.00 0.59 O ATOM 890 CB ALA A 58 -3.044 -5.569 -5.333 1.00 0.76 C ATOM 0 H ALA A 58 -4.677 -4.324 -3.957 1.00 0.57 H new ATOM 0 HA ALA A 58 -2.068 -3.845 -4.506 1.00 0.63 H new ATOM 0 HB1 ALA A 58 -2.172 -5.907 -5.893 1.00 0.76 H new ATOM 0 HB2 ALA A 58 -3.077 -6.080 -4.371 1.00 0.76 H new ATOM 0 HB3 ALA A 58 -3.949 -5.798 -5.896 1.00 0.76 H new ATOM 896 N GLU A 59 -3.775 -3.429 -7.339 1.00 0.57 N ATOM 897 CA GLU A 59 -3.681 -2.810 -8.651 1.00 0.59 C ATOM 898 C GLU A 59 -3.285 -1.334 -8.576 1.00 0.57 C ATOM 899 O GLU A 59 -2.333 -0.926 -9.235 1.00 0.60 O ATOM 900 CB GLU A 59 -5.011 -2.960 -9.375 1.00 0.61 C ATOM 901 CG GLU A 59 -5.205 -4.375 -9.940 1.00 0.79 C ATOM 902 CD GLU A 59 -4.252 -4.665 -11.095 1.00 1.25 C ATOM 903 OE1 GLU A 59 -4.553 -4.181 -12.207 1.00 2.40 O ATOM 904 OE2 GLU A 59 -3.237 -5.349 -10.842 1.00 1.83 O ATOM 0 H GLU A 59 -4.647 -3.931 -7.174 1.00 0.57 H new ATOM 0 HA GLU A 59 -2.892 -3.321 -9.203 1.00 0.59 H new ATOM 0 HB2 GLU A 59 -5.825 -2.730 -8.688 1.00 0.61 H new ATOM 0 HB3 GLU A 59 -5.065 -2.235 -10.187 1.00 0.61 H new ATOM 0 HG2 GLU A 59 -5.047 -5.107 -9.147 1.00 0.79 H new ATOM 0 HG3 GLU A 59 -6.234 -4.491 -10.281 1.00 0.79 H new ATOM 911 N PHE A 60 -3.987 -0.543 -7.759 1.00 0.56 N ATOM 912 CA PHE A 60 -3.619 0.825 -7.447 1.00 0.57 C ATOM 913 C PHE A 60 -2.122 0.938 -7.189 1.00 0.60 C ATOM 914 O PHE A 60 -1.441 1.766 -7.775 1.00 0.75 O ATOM 915 CB PHE A 60 -4.400 1.284 -6.205 1.00 0.59 C ATOM 916 CG PHE A 60 -4.900 2.699 -6.315 1.00 0.62 C ATOM 917 CD1 PHE A 60 -4.007 3.744 -6.611 1.00 1.63 C ATOM 918 CD2 PHE A 60 -6.282 2.947 -6.276 1.00 2.05 C ATOM 919 CE1 PHE A 60 -4.500 5.020 -6.917 1.00 1.66 C ATOM 920 CE2 PHE A 60 -6.773 4.223 -6.579 1.00 2.09 C ATOM 921 CZ PHE A 60 -5.884 5.267 -6.897 1.00 0.82 C ATOM 0 H PHE A 60 -4.841 -0.849 -7.292 1.00 0.56 H new ATOM 0 HA PHE A 60 -3.866 1.461 -8.297 1.00 0.57 H new ATOM 0 HB2 PHE A 60 -5.247 0.616 -6.048 1.00 0.59 H new ATOM 0 HB3 PHE A 60 -3.759 1.198 -5.327 1.00 0.59 H new ATOM 0 HD1 PHE A 60 -2.942 3.564 -6.603 1.00 1.63 H new ATOM 0 HD2 PHE A 60 -6.966 2.154 -6.012 1.00 2.05 H new ATOM 0 HE1 PHE A 60 -3.815 5.816 -7.169 1.00 1.66 H new ATOM 0 HE2 PHE A 60 -7.837 4.407 -6.569 1.00 2.09 H new ATOM 0 HZ PHE A 60 -6.263 6.252 -7.124 1.00 0.82 H new ATOM 931 N ILE A 61 -1.586 0.080 -6.326 1.00 0.54 N ATOM 932 CA ILE A 61 -0.176 0.158 -5.967 1.00 0.53 C ATOM 933 C ILE A 61 0.676 -0.233 -7.176 1.00 0.49 C ATOM 934 O ILE A 61 1.735 0.342 -7.427 1.00 0.52 O ATOM 935 CB ILE A 61 0.092 -0.700 -4.719 1.00 0.57 C ATOM 936 CG1 ILE A 61 -0.680 -0.145 -3.508 1.00 0.67 C ATOM 937 CG2 ILE A 61 1.591 -0.727 -4.409 1.00 0.59 C ATOM 938 CD1 ILE A 61 -0.844 -1.202 -2.412 1.00 0.77 C ATOM 0 H ILE A 61 -2.102 -0.670 -5.867 1.00 0.54 H new ATOM 0 HA ILE A 61 0.102 1.178 -5.702 1.00 0.53 H new ATOM 0 HB ILE A 61 -0.250 -1.715 -4.919 1.00 0.57 H new ATOM 0 HG12 ILE A 61 -0.153 0.720 -3.105 1.00 0.67 H new ATOM 0 HG13 ILE A 61 -1.662 0.202 -3.830 1.00 0.67 H new ATOM 0 HG21 ILE A 61 1.768 -1.337 -3.524 1.00 0.59 H new ATOM 0 HG22 ILE A 61 2.130 -1.151 -5.256 1.00 0.59 H new ATOM 0 HG23 ILE A 61 1.943 0.288 -4.226 1.00 0.59 H new ATOM 0 HD11 ILE A 61 -1.393 -0.774 -1.573 1.00 0.77 H new ATOM 0 HD12 ILE A 61 -1.394 -2.055 -2.809 1.00 0.77 H new ATOM 0 HD13 ILE A 61 0.139 -1.530 -2.073 1.00 0.77 H new ATOM 950 N ARG A 62 0.202 -1.202 -7.954 1.00 0.50 N ATOM 951 CA ARG A 62 0.868 -1.622 -9.167 1.00 0.52 C ATOM 952 C ARG A 62 0.840 -0.560 -10.269 1.00 0.54 C ATOM 953 O ARG A 62 1.492 -0.781 -11.286 1.00 0.64 O ATOM 954 CB ARG A 62 0.297 -2.946 -9.692 1.00 0.57 C ATOM 955 CG ARG A 62 0.458 -4.101 -8.701 1.00 0.60 C ATOM 956 CD ARG A 62 -0.286 -5.348 -9.212 1.00 1.09 C ATOM 957 NE ARG A 62 0.636 -6.406 -9.648 1.00 1.11 N ATOM 958 CZ ARG A 62 1.426 -7.104 -8.818 1.00 2.21 C ATOM 959 NH1 ARG A 62 1.376 -6.847 -7.508 1.00 3.81 N ATOM 960 NH2 ARG A 62 2.258 -8.037 -9.291 1.00 2.52 N ATOM 0 H ARG A 62 -0.657 -1.714 -7.754 1.00 0.50 H new ATOM 0 HA ARG A 62 1.912 -1.771 -8.893 1.00 0.52 H new ATOM 0 HB2 ARG A 62 -0.761 -2.814 -9.919 1.00 0.57 H new ATOM 0 HB3 ARG A 62 0.794 -3.205 -10.627 1.00 0.57 H new ATOM 0 HG2 ARG A 62 1.515 -4.329 -8.566 1.00 0.60 H new ATOM 0 HG3 ARG A 62 0.068 -3.810 -7.726 1.00 0.60 H new ATOM 0 HD2 ARG A 62 -0.931 -5.733 -8.422 1.00 1.09 H new ATOM 0 HD3 ARG A 62 -0.933 -5.068 -10.043 1.00 1.09 H new ATOM 0 HE ARG A 62 0.678 -6.623 -10.644 1.00 1.11 H new ATOM 0 HH11 ARG A 62 0.744 -6.129 -7.153 1.00 3.81 H new ATOM 0 HH12 ARG A 62 1.970 -7.368 -6.863 1.00 3.81 H new ATOM 0 HH21 ARG A 62 2.297 -8.225 -10.293 1.00 2.52 H new ATOM 0 HH22 ARG A 62 2.854 -8.561 -8.650 1.00 2.52 H new ATOM 974 N GLU A 63 0.146 0.578 -10.107 1.00 0.52 N ATOM 975 CA GLU A 63 0.239 1.697 -11.047 1.00 0.57 C ATOM 976 C GLU A 63 1.704 2.037 -11.378 1.00 0.54 C ATOM 977 O GLU A 63 2.022 2.488 -12.475 1.00 0.59 O ATOM 978 CB GLU A 63 -0.527 2.916 -10.497 1.00 0.64 C ATOM 979 CG GLU A 63 0.246 3.681 -9.406 1.00 2.06 C ATOM 980 CD GLU A 63 -0.548 4.826 -8.784 1.00 3.26 C ATOM 981 OE1 GLU A 63 -1.623 5.154 -9.332 1.00 3.35 O ATOM 982 OE2 GLU A 63 -0.035 5.382 -7.787 1.00 4.68 O ATOM 0 H GLU A 63 -0.489 0.744 -9.326 1.00 0.52 H new ATOM 0 HA GLU A 63 -0.229 1.400 -11.986 1.00 0.57 H new ATOM 0 HB2 GLU A 63 -0.751 3.596 -11.319 1.00 0.64 H new ATOM 0 HB3 GLU A 63 -1.482 2.583 -10.090 1.00 0.64 H new ATOM 0 HG2 GLU A 63 0.536 2.983 -8.621 1.00 2.06 H new ATOM 0 HG3 GLU A 63 1.166 4.079 -9.835 1.00 2.06 H new ATOM 989 N LEU A 64 2.602 1.780 -10.420 1.00 0.54 N ATOM 990 CA LEU A 64 4.028 2.065 -10.501 1.00 0.60 C ATOM 991 C LEU A 64 4.773 0.980 -11.285 1.00 0.64 C ATOM 992 O LEU A 64 5.898 1.195 -11.726 1.00 0.79 O ATOM 993 CB LEU A 64 4.611 2.043 -9.085 1.00 0.89 C ATOM 994 CG LEU A 64 3.843 2.853 -8.033 1.00 0.85 C ATOM 995 CD1 LEU A 64 4.269 2.324 -6.667 1.00 1.27 C ATOM 996 CD2 LEU A 64 4.118 4.353 -8.155 1.00 1.04 C ATOM 0 H LEU A 64 2.338 1.350 -9.533 1.00 0.54 H new ATOM 0 HA LEU A 64 4.146 3.030 -10.993 1.00 0.60 H new ATOM 0 HB2 LEU A 64 4.664 1.007 -8.751 1.00 0.89 H new ATOM 0 HB3 LEU A 64 5.634 2.417 -9.128 1.00 0.89 H new ATOM 0 HG LEU A 64 2.769 2.735 -8.178 1.00 0.85 H new ATOM 0 HD11 LEU A 64 3.746 2.873 -5.885 1.00 1.27 H new ATOM 0 HD12 LEU A 64 4.022 1.265 -6.594 1.00 1.27 H new ATOM 0 HD13 LEU A 64 5.344 2.455 -6.545 1.00 1.27 H new ATOM 0 HD21 LEU A 64 3.555 4.889 -7.392 1.00 1.04 H new ATOM 0 HD22 LEU A 64 5.183 4.540 -8.018 1.00 1.04 H new ATOM 0 HD23 LEU A 64 3.812 4.700 -9.142 1.00 1.04 H new ATOM 1008 N GLY A 65 4.192 -0.221 -11.366 1.00 0.63 N ATOM 1009 CA GLY A 65 4.834 -1.401 -11.927 1.00 0.71 C ATOM 1010 C GLY A 65 5.795 -2.061 -10.933 1.00 0.68 C ATOM 1011 O GLY A 65 6.684 -2.804 -11.340 1.00 0.84 O ATOM 0 H GLY A 65 3.243 -0.398 -11.035 1.00 0.63 H new ATOM 0 HA2 GLY A 65 4.072 -2.120 -12.226 1.00 0.71 H new ATOM 0 HA3 GLY A 65 5.380 -1.122 -12.828 1.00 0.71 H new ATOM 1015 N PHE A 66 5.612 -1.817 -9.631 1.00 0.64 N ATOM 1016 CA PHE A 66 6.441 -2.410 -8.587 1.00 0.68 C ATOM 1017 C PHE A 66 5.950 -3.810 -8.222 1.00 0.59 C ATOM 1018 O PHE A 66 4.769 -4.135 -8.357 1.00 0.58 O ATOM 1019 CB PHE A 66 6.470 -1.510 -7.340 1.00 0.74 C ATOM 1020 CG PHE A 66 7.677 -0.596 -7.282 1.00 0.85 C ATOM 1021 CD1 PHE A 66 7.894 0.343 -8.306 1.00 1.94 C ATOM 1022 CD2 PHE A 66 8.646 -0.764 -6.272 1.00 2.01 C ATOM 1023 CE1 PHE A 66 9.066 1.117 -8.317 1.00 2.26 C ATOM 1024 CE2 PHE A 66 9.820 0.010 -6.284 1.00 2.44 C ATOM 1025 CZ PHE A 66 10.034 0.946 -7.311 1.00 2.00 C ATOM 0 H PHE A 66 4.882 -1.200 -9.275 1.00 0.64 H new ATOM 0 HA PHE A 66 7.455 -2.498 -8.976 1.00 0.68 H new ATOM 0 HB2 PHE A 66 5.564 -0.904 -7.318 1.00 0.74 H new ATOM 0 HB3 PHE A 66 6.456 -2.137 -6.449 1.00 0.74 H new ATOM 0 HD1 PHE A 66 7.158 0.469 -9.086 1.00 1.94 H new ATOM 0 HD2 PHE A 66 8.486 -1.489 -5.487 1.00 2.01 H new ATOM 0 HE1 PHE A 66 9.224 1.845 -9.099 1.00 2.26 H new ATOM 0 HE2 PHE A 66 10.557 -0.115 -5.504 1.00 2.44 H new ATOM 0 HZ PHE A 66 10.940 1.533 -7.327 1.00 2.00 H new ATOM 1035 N GLY A 67 6.858 -4.621 -7.671 1.00 0.60 N ATOM 1036 CA GLY A 67 6.561 -5.978 -7.246 1.00 0.58 C ATOM 1037 C GLY A 67 5.896 -5.936 -5.875 1.00 0.55 C ATOM 1038 O GLY A 67 6.466 -6.365 -4.874 1.00 0.59 O ATOM 0 H GLY A 67 7.826 -4.345 -7.509 1.00 0.60 H new ATOM 0 HA2 GLY A 67 5.904 -6.463 -7.968 1.00 0.58 H new ATOM 0 HA3 GLY A 67 7.477 -6.567 -7.202 1.00 0.58 H new ATOM 1042 N ALA A 68 4.669 -5.415 -5.846 1.00 0.52 N ATOM 1043 CA ALA A 68 3.859 -5.377 -4.642 1.00 0.48 C ATOM 1044 C ALA A 68 3.195 -6.739 -4.459 1.00 0.44 C ATOM 1045 O ALA A 68 2.949 -7.449 -5.438 1.00 0.51 O ATOM 1046 CB ALA A 68 2.810 -4.269 -4.769 1.00 0.53 C ATOM 0 H ALA A 68 4.213 -5.008 -6.663 1.00 0.52 H new ATOM 0 HA ALA A 68 4.477 -5.163 -3.770 1.00 0.48 H new ATOM 0 HB1 ALA A 68 2.201 -4.239 -3.866 1.00 0.53 H new ATOM 0 HB2 ALA A 68 3.309 -3.309 -4.902 1.00 0.53 H new ATOM 0 HB3 ALA A 68 2.172 -4.469 -5.630 1.00 0.53 H new ATOM 1052 N THR A 69 2.895 -7.107 -3.216 1.00 0.40 N ATOM 1053 CA THR A 69 2.269 -8.369 -2.872 1.00 0.43 C ATOM 1054 C THR A 69 1.380 -8.076 -1.670 1.00 0.42 C ATOM 1055 O THR A 69 1.856 -7.570 -0.654 1.00 0.55 O ATOM 1056 CB THR A 69 3.304 -9.488 -2.676 1.00 0.52 C ATOM 1057 OG1 THR A 69 2.732 -10.608 -2.031 1.00 1.18 O ATOM 1058 CG2 THR A 69 4.503 -9.007 -1.875 1.00 1.12 C ATOM 0 H THR A 69 3.087 -6.518 -2.405 1.00 0.40 H new ATOM 0 HA THR A 69 1.651 -8.766 -3.677 1.00 0.43 H new ATOM 0 HB THR A 69 3.640 -9.781 -3.671 1.00 0.52 H new ATOM 0 HG1 THR A 69 3.412 -11.305 -1.921 1.00 1.18 H new ATOM 0 HG21 THR A 69 5.213 -9.825 -1.757 1.00 1.12 H new ATOM 0 HG22 THR A 69 4.984 -8.182 -2.400 1.00 1.12 H new ATOM 0 HG23 THR A 69 4.172 -8.669 -0.893 1.00 1.12 H new ATOM 1066 N VAL A 70 0.075 -8.280 -1.852 1.00 0.46 N ATOM 1067 CA VAL A 70 -0.963 -7.917 -0.907 1.00 0.45 C ATOM 1068 C VAL A 70 -1.391 -9.191 -0.190 1.00 0.49 C ATOM 1069 O VAL A 70 -1.739 -10.172 -0.846 1.00 0.55 O ATOM 1070 CB VAL A 70 -2.092 -7.209 -1.678 1.00 0.51 C ATOM 1071 CG1 VAL A 70 -2.938 -8.147 -2.558 1.00 0.54 C ATOM 1072 CG2 VAL A 70 -3.049 -6.476 -0.733 1.00 0.60 C ATOM 0 H VAL A 70 -0.294 -8.719 -2.695 1.00 0.46 H new ATOM 0 HA VAL A 70 -0.629 -7.215 -0.143 1.00 0.45 H new ATOM 0 HB VAL A 70 -1.568 -6.507 -2.327 1.00 0.51 H new ATOM 0 HG11 VAL A 70 -3.711 -7.570 -3.067 1.00 0.54 H new ATOM 0 HG12 VAL A 70 -2.298 -8.628 -3.298 1.00 0.54 H new ATOM 0 HG13 VAL A 70 -3.406 -8.908 -1.934 1.00 0.54 H new ATOM 0 HG21 VAL A 70 -3.832 -5.989 -1.314 1.00 0.60 H new ATOM 0 HG22 VAL A 70 -3.500 -7.191 -0.045 1.00 0.60 H new ATOM 0 HG23 VAL A 70 -2.497 -5.726 -0.167 1.00 0.60 H new ATOM 1082 N ILE A 71 -1.313 -9.206 1.139 1.00 0.55 N ATOM 1083 CA ILE A 71 -1.764 -10.316 1.956 1.00 0.63 C ATOM 1084 C ILE A 71 -2.545 -9.748 3.148 1.00 0.72 C ATOM 1085 O ILE A 71 -2.740 -8.536 3.258 1.00 0.69 O ATOM 1086 CB ILE A 71 -0.601 -11.258 2.312 1.00 0.81 C ATOM 1087 CG1 ILE A 71 0.388 -10.662 3.316 1.00 0.86 C ATOM 1088 CG2 ILE A 71 0.153 -11.697 1.046 1.00 1.67 C ATOM 1089 CD1 ILE A 71 1.209 -11.780 3.940 1.00 1.31 C ATOM 0 H ILE A 71 -0.928 -8.432 1.681 1.00 0.55 H new ATOM 0 HA ILE A 71 -2.451 -10.961 1.408 1.00 0.63 H new ATOM 0 HB ILE A 71 -1.060 -12.122 2.793 1.00 0.81 H new ATOM 0 HG12 ILE A 71 1.044 -9.949 2.817 1.00 0.86 H new ATOM 0 HG13 ILE A 71 -0.149 -10.114 4.090 1.00 0.86 H new ATOM 0 HG21 ILE A 71 0.971 -12.362 1.322 1.00 1.67 H new ATOM 0 HG22 ILE A 71 -0.531 -12.221 0.378 1.00 1.67 H new ATOM 0 HG23 ILE A 71 0.554 -10.820 0.539 1.00 1.67 H new ATOM 0 HD11 ILE A 71 1.914 -11.358 4.656 1.00 1.31 H new ATOM 0 HD12 ILE A 71 0.545 -12.476 4.452 1.00 1.31 H new ATOM 0 HD13 ILE A 71 1.757 -12.308 3.160 1.00 1.31 H new