USER MOD reduce.3.24.130724 H: found=0, std=0, add=776, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 776 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 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 1.2: A 109 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 100 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 101 HIS : no HE2:sc= -0.0131 K(o=-0.013,f=-3!) USER MOD Set 3.1: A 62 SER OG : rot 136:sc= 1.54 USER MOD Set 3.2: A 90 ASN : amide:sc= 1.16 K(o=2.7,f=-0.0023) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 173:sc= 1.24 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= 0.913 K(o=0.91,f=0) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HD1:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot -175:sc= 1.26 USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 170:sc= 2.31 (180deg=2.04) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 170:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 90:sc=-0.000305 USER MOD Single : A 91 GLN : amide:sc= -0.0721 X(o=-0.072,f=-0.063) USER MOD Single : A 92 ASN : amide:sc= -0.0433 X(o=-0.043,f=-0.043) USER MOD Single : A 94 SER OG : rot 180:sc=-0.00346 USER MOD Single : A 98 CYS SG : rot -37:sc= -0.0503 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= -0.101 X(o=-0.1,f=-0.066) USER MOD ----------------------------------------------------------------- ATOM 27 N ALA A 3 15.289 -3.164 10.379 1.00 1.75 N ATOM 28 CA ALA A 3 13.938 -3.347 9.859 1.00 1.81 C ATOM 29 C ALA A 3 12.885 -2.653 10.743 1.00 1.54 C ATOM 30 O ALA A 3 12.034 -1.936 10.216 1.00 1.55 O ATOM 31 CB ALA A 3 13.668 -4.849 9.718 1.00 2.23 C ATOM 0 HA ALA A 3 13.861 -2.875 8.880 1.00 1.81 H new ATOM 0 HB1 ALA A 3 12.661 -5.003 9.330 1.00 2.23 H new ATOM 0 HB2 ALA A 3 14.392 -5.286 9.031 1.00 2.23 H new ATOM 0 HB3 ALA A 3 13.758 -5.328 10.693 1.00 2.23 H new ATOM 37 N LEU A 4 12.977 -2.795 12.075 1.00 1.47 N ATOM 38 CA LEU A 4 12.072 -2.139 13.037 1.00 1.33 C ATOM 39 C LEU A 4 11.971 -0.616 12.820 1.00 1.15 C ATOM 40 O LEU A 4 10.913 -0.026 13.042 1.00 1.42 O ATOM 41 CB LEU A 4 12.538 -2.445 14.478 1.00 1.34 C ATOM 42 CG LEU A 4 11.422 -2.318 15.530 1.00 1.40 C ATOM 43 CD1 LEU A 4 10.567 -3.584 15.527 1.00 1.48 C ATOM 44 CD2 LEU A 4 12.009 -2.157 16.932 1.00 1.67 C ATOM 0 H LEU A 4 13.689 -3.374 12.521 1.00 1.47 H new ATOM 0 HA LEU A 4 11.074 -2.544 12.873 1.00 1.33 H new ATOM 0 HB2 LEU A 4 12.944 -3.456 14.512 1.00 1.34 H new ATOM 0 HB3 LEU A 4 13.350 -1.767 14.739 1.00 1.34 H new ATOM 0 HG LEU A 4 10.825 -1.442 15.278 1.00 1.40 H new ATOM 0 HD11 LEU A 4 9.777 -3.492 16.273 1.00 1.48 H new ATOM 0 HD12 LEU A 4 10.121 -3.720 14.542 1.00 1.48 H new ATOM 0 HD13 LEU A 4 11.191 -4.445 15.764 1.00 1.48 H new ATOM 0 HD21 LEU A 4 11.200 -2.069 17.657 1.00 1.67 H new ATOM 0 HD22 LEU A 4 12.620 -3.027 17.173 1.00 1.67 H new ATOM 0 HD23 LEU A 4 12.627 -1.260 16.967 1.00 1.67 H new ATOM 56 N ALA A 5 13.066 0.020 12.390 1.00 0.99 N ATOM 57 CA ALA A 5 13.066 1.400 11.909 1.00 0.99 C ATOM 58 C ALA A 5 12.503 1.538 10.477 1.00 0.88 C ATOM 59 O ALA A 5 11.619 2.357 10.222 1.00 0.98 O ATOM 60 CB ALA A 5 14.496 1.939 12.027 1.00 1.23 C ATOM 0 H ALA A 5 13.987 -0.417 12.367 1.00 0.99 H new ATOM 0 HA ALA A 5 12.393 1.996 12.526 1.00 0.99 H new ATOM 0 HB1 ALA A 5 14.527 2.970 11.674 1.00 1.23 H new ATOM 0 HB2 ALA A 5 14.814 1.903 13.069 1.00 1.23 H new ATOM 0 HB3 ALA A 5 15.166 1.328 11.422 1.00 1.23 H new ATOM 66 N LYS A 6 12.990 0.725 9.525 1.00 0.79 N ATOM 67 CA LYS A 6 12.671 0.828 8.087 1.00 0.80 C ATOM 68 C LYS A 6 11.178 0.705 7.769 1.00 0.83 C ATOM 69 O LYS A 6 10.693 1.392 6.871 1.00 0.86 O ATOM 70 CB LYS A 6 13.505 -0.216 7.327 1.00 0.86 C ATOM 71 CG LYS A 6 13.439 -0.051 5.796 1.00 0.99 C ATOM 72 CD LYS A 6 14.819 -0.212 5.143 1.00 1.41 C ATOM 73 CE LYS A 6 15.420 -1.610 5.316 1.00 2.48 C ATOM 74 NZ LYS A 6 16.877 -1.579 5.069 1.00 3.01 N ATOM 0 H LYS A 6 13.631 -0.040 9.736 1.00 0.79 H new ATOM 0 HA LYS A 6 12.933 1.833 7.757 1.00 0.80 H new ATOM 0 HB2 LYS A 6 14.544 -0.145 7.649 1.00 0.86 H new ATOM 0 HB3 LYS A 6 13.156 -1.214 7.593 1.00 0.86 H new ATOM 0 HG2 LYS A 6 12.753 -0.789 5.381 1.00 0.99 H new ATOM 0 HG3 LYS A 6 13.035 0.932 5.554 1.00 0.99 H new ATOM 0 HD2 LYS A 6 14.736 0.010 4.079 1.00 1.41 H new ATOM 0 HD3 LYS A 6 15.501 0.523 5.570 1.00 1.41 H new ATOM 0 HE2 LYS A 6 15.223 -1.975 6.324 1.00 2.48 H new ATOM 0 HE3 LYS A 6 14.943 -2.306 4.626 1.00 2.48 H new ATOM 0 HZ1 LYS A 6 17.270 -2.534 5.190 1.00 3.01 H new ATOM 0 HZ2 LYS A 6 17.058 -1.251 4.099 1.00 3.01 H new ATOM 0 HZ3 LYS A 6 17.330 -0.930 5.744 1.00 3.01 H new ATOM 88 N LEU A 7 10.423 -0.085 8.534 1.00 0.91 N ATOM 89 CA LEU A 7 8.959 -0.177 8.408 1.00 1.08 C ATOM 90 C LEU A 7 8.251 1.186 8.592 1.00 1.20 C ATOM 91 O LEU A 7 7.224 1.427 7.959 1.00 1.38 O ATOM 92 CB LEU A 7 8.425 -1.235 9.399 1.00 1.07 C ATOM 93 CG LEU A 7 8.312 -2.695 8.905 1.00 1.14 C ATOM 94 CD1 LEU A 7 7.468 -2.818 7.641 1.00 1.35 C ATOM 95 CD2 LEU A 7 9.653 -3.372 8.630 1.00 1.08 C ATOM 0 H LEU A 7 10.808 -0.684 9.264 1.00 0.91 H new ATOM 0 HA LEU A 7 8.729 -0.489 7.389 1.00 1.08 H new ATOM 0 HB2 LEU A 7 9.071 -1.228 10.277 1.00 1.07 H new ATOM 0 HB3 LEU A 7 7.436 -0.916 9.729 1.00 1.07 H new ATOM 0 HG LEU A 7 7.830 -3.204 9.740 1.00 1.14 H new ATOM 0 HD11 LEU A 7 7.420 -3.863 7.336 1.00 1.35 H new ATOM 0 HD12 LEU A 7 6.461 -2.451 7.839 1.00 1.35 H new ATOM 0 HD13 LEU A 7 7.919 -2.227 6.844 1.00 1.35 H new ATOM 0 HD21 LEU A 7 9.482 -4.393 8.288 1.00 1.08 H new ATOM 0 HD22 LEU A 7 10.190 -2.817 7.861 1.00 1.08 H new ATOM 0 HD23 LEU A 7 10.246 -3.391 9.545 1.00 1.08 H new ATOM 107 N ILE A 8 8.809 2.101 9.394 1.00 1.17 N ATOM 108 CA ILE A 8 8.333 3.492 9.509 1.00 1.32 C ATOM 109 C ILE A 8 8.686 4.319 8.262 1.00 1.13 C ATOM 110 O ILE A 8 7.846 5.054 7.735 1.00 1.12 O ATOM 111 CB ILE A 8 8.847 4.150 10.810 1.00 1.54 C ATOM 112 CG1 ILE A 8 8.430 3.343 12.060 1.00 1.79 C ATOM 113 CG2 ILE A 8 8.375 5.610 10.923 1.00 1.67 C ATOM 114 CD1 ILE A 8 6.921 3.189 12.295 1.00 2.02 C ATOM 0 H ILE A 8 9.612 1.898 9.989 1.00 1.17 H new ATOM 0 HA ILE A 8 7.245 3.467 9.567 1.00 1.32 H new ATOM 0 HB ILE A 8 9.936 4.149 10.761 1.00 1.54 H new ATOM 0 HG12 ILE A 8 8.869 2.348 11.987 1.00 1.79 H new ATOM 0 HG13 ILE A 8 8.866 3.820 12.937 1.00 1.79 H new ATOM 0 HG21 ILE A 8 8.753 6.044 11.849 1.00 1.67 H new ATOM 0 HG22 ILE A 8 8.751 6.181 10.074 1.00 1.67 H new ATOM 0 HG23 ILE A 8 7.285 5.641 10.926 1.00 1.67 H new ATOM 0 HD11 ILE A 8 6.751 2.605 13.200 1.00 2.02 H new ATOM 0 HD12 ILE A 8 6.468 4.174 12.409 1.00 2.02 H new ATOM 0 HD13 ILE A 8 6.470 2.678 11.444 1.00 2.02 H new ATOM 126 N SER A 9 9.902 4.166 7.729 1.00 1.00 N ATOM 127 CA SER A 9 10.383 4.878 6.528 1.00 0.91 C ATOM 128 C SER A 9 9.666 4.442 5.235 1.00 0.84 C ATOM 129 O SER A 9 9.623 5.193 4.254 1.00 0.86 O ATOM 130 CB SER A 9 11.894 4.659 6.379 1.00 0.91 C ATOM 131 OG SER A 9 12.589 5.125 7.528 1.00 1.11 O ATOM 0 H SER A 9 10.598 3.533 8.124 1.00 1.00 H new ATOM 0 HA SER A 9 10.157 5.935 6.671 1.00 0.91 H new ATOM 0 HB2 SER A 9 12.099 3.599 6.230 1.00 0.91 H new ATOM 0 HB3 SER A 9 12.256 5.181 5.493 1.00 0.91 H new ATOM 0 HG SER A 9 13.550 4.974 7.412 1.00 1.11 H new ATOM 137 N LEU A 10 9.071 3.244 5.242 1.00 0.92 N ATOM 138 CA LEU A 10 8.192 2.688 4.204 1.00 1.12 C ATOM 139 C LEU A 10 6.782 3.321 4.145 1.00 1.27 C ATOM 140 O LEU A 10 6.076 3.133 3.150 1.00 1.47 O ATOM 141 CB LEU A 10 8.146 1.157 4.400 1.00 1.24 C ATOM 142 CG LEU A 10 9.403 0.446 3.855 1.00 1.36 C ATOM 143 CD1 LEU A 10 9.529 -0.964 4.429 1.00 1.86 C ATOM 144 CD2 LEU A 10 9.343 0.304 2.334 1.00 1.46 C ATOM 0 H LEU A 10 9.197 2.596 6.020 1.00 0.92 H new ATOM 0 HA LEU A 10 8.612 2.938 3.230 1.00 1.12 H new ATOM 0 HB2 LEU A 10 8.040 0.934 5.462 1.00 1.24 H new ATOM 0 HB3 LEU A 10 7.263 0.758 3.901 1.00 1.24 H new ATOM 0 HG LEU A 10 10.255 1.059 4.149 1.00 1.36 H new ATOM 0 HD11 LEU A 10 10.423 -1.441 4.028 1.00 1.86 H new ATOM 0 HD12 LEU A 10 9.603 -0.909 5.515 1.00 1.86 H new ATOM 0 HD13 LEU A 10 8.651 -1.549 4.154 1.00 1.86 H new ATOM 0 HD21 LEU A 10 10.242 -0.200 1.980 1.00 1.46 H new ATOM 0 HD22 LEU A 10 8.466 -0.281 2.058 1.00 1.46 H new ATOM 0 HD23 LEU A 10 9.278 1.292 1.879 1.00 1.46 H new ATOM 156 N GLN A 11 6.359 4.081 5.163 1.00 1.31 N ATOM 157 CA GLN A 11 5.082 4.810 5.144 1.00 1.51 C ATOM 158 C GLN A 11 5.190 6.205 4.502 1.00 1.55 C ATOM 159 O GLN A 11 6.234 6.863 4.548 1.00 1.47 O ATOM 160 CB GLN A 11 4.427 4.840 6.527 1.00 1.55 C ATOM 161 CG GLN A 11 3.778 3.481 6.816 1.00 1.53 C ATOM 162 CD GLN A 11 3.013 3.512 8.123 1.00 1.67 C ATOM 163 OE1 GLN A 11 1.808 3.744 8.168 1.00 2.33 O ATOM 164 NE2 GLN A 11 3.708 3.304 9.212 1.00 2.05 N ATOM 0 H GLN A 11 6.892 4.209 6.024 1.00 1.31 H new ATOM 0 HA GLN A 11 4.414 4.248 4.491 1.00 1.51 H new ATOM 0 HB2 GLN A 11 5.172 5.068 7.289 1.00 1.55 H new ATOM 0 HB3 GLN A 11 3.677 5.629 6.568 1.00 1.55 H new ATOM 0 HG2 GLN A 11 3.104 3.216 6.002 1.00 1.53 H new ATOM 0 HG3 GLN A 11 4.546 2.709 6.858 1.00 1.53 H new ATOM 0 HE21 GLN A 11 4.708 3.113 9.150 1.00 2.05 H new ATOM 0 HE22 GLN A 11 3.250 3.333 10.123 1.00 2.05 H new ATOM 173 N ALA A 12 4.086 6.639 3.893 1.00 1.79 N ATOM 174 CA ALA A 12 3.991 7.822 3.038 1.00 1.76 C ATOM 175 C ALA A 12 3.829 9.158 3.802 1.00 1.91 C ATOM 176 O ALA A 12 3.656 9.197 5.024 1.00 2.63 O ATOM 177 CB ALA A 12 2.821 7.576 2.071 1.00 1.99 C ATOM 0 H ALA A 12 3.194 6.154 3.987 1.00 1.79 H new ATOM 0 HA ALA A 12 4.935 7.946 2.508 1.00 1.76 H new ATOM 0 HB1 ALA A 12 2.709 8.435 1.409 1.00 1.99 H new ATOM 0 HB2 ALA A 12 3.021 6.684 1.477 1.00 1.99 H new ATOM 0 HB3 ALA A 12 1.902 7.435 2.640 1.00 1.99 H new ATOM 183 N THR A 13 3.870 10.259 3.051 1.00 1.82 N ATOM 184 CA THR A 13 3.509 11.619 3.493 1.00 1.96 C ATOM 185 C THR A 13 2.093 11.982 3.029 1.00 1.61 C ATOM 186 O THR A 13 1.300 12.495 3.821 1.00 1.44 O ATOM 187 CB THR A 13 4.525 12.648 2.965 1.00 2.16 C ATOM 188 OG1 THR A 13 5.815 12.322 3.436 1.00 2.53 O ATOM 189 CG2 THR A 13 4.237 14.074 3.434 1.00 3.10 C ATOM 0 H THR A 13 4.167 10.233 2.076 1.00 1.82 H new ATOM 0 HA THR A 13 3.530 11.639 4.583 1.00 1.96 H new ATOM 0 HB THR A 13 4.453 12.611 1.878 1.00 2.16 H new ATOM 0 HG1 THR A 13 6.462 12.976 3.098 1.00 2.53 H new ATOM 0 HG21 THR A 13 4.989 14.750 3.027 1.00 3.10 H new ATOM 0 HG22 THR A 13 3.250 14.379 3.087 1.00 3.10 H new ATOM 0 HG23 THR A 13 4.266 14.112 4.523 1.00 3.10 H new ATOM 197 N GLU A 14 1.757 11.670 1.774 1.00 1.51 N ATOM 198 CA GLU A 14 0.485 12.009 1.119 1.00 1.25 C ATOM 199 C GLU A 14 -0.069 10.865 0.250 1.00 1.17 C ATOM 200 O GLU A 14 0.639 9.907 -0.065 1.00 1.29 O ATOM 201 CB GLU A 14 0.643 13.318 0.322 1.00 1.35 C ATOM 202 CG GLU A 14 1.480 13.227 -0.967 1.00 1.58 C ATOM 203 CD GLU A 14 1.644 14.607 -1.627 1.00 2.75 C ATOM 204 OE1 GLU A 14 2.081 15.569 -0.938 1.00 3.66 O ATOM 205 OE2 GLU A 14 1.324 14.755 -2.834 1.00 3.66 O ATOM 0 H GLU A 14 2.387 11.154 1.160 1.00 1.51 H new ATOM 0 HA GLU A 14 -0.261 12.161 1.899 1.00 1.25 H new ATOM 0 HB2 GLU A 14 -0.350 13.684 0.061 1.00 1.35 H new ATOM 0 HB3 GLU A 14 1.096 14.065 0.974 1.00 1.35 H new ATOM 0 HG2 GLU A 14 2.462 12.813 -0.737 1.00 1.58 H new ATOM 0 HG3 GLU A 14 1.001 12.542 -1.666 1.00 1.58 H new ATOM 212 N ALA A 15 -1.341 10.967 -0.132 1.00 1.02 N ATOM 213 CA ALA A 15 -2.075 10.000 -0.948 1.00 0.98 C ATOM 214 C ALA A 15 -3.012 10.685 -1.968 1.00 0.88 C ATOM 215 O ALA A 15 -3.195 11.910 -1.945 1.00 1.03 O ATOM 216 CB ALA A 15 -2.838 9.068 0.008 1.00 0.99 C ATOM 0 H ALA A 15 -1.917 11.766 0.132 1.00 1.02 H new ATOM 0 HA ALA A 15 -1.377 9.421 -1.552 1.00 0.98 H new ATOM 0 HB1 ALA A 15 -3.398 8.333 -0.570 1.00 0.99 H new ATOM 0 HB2 ALA A 15 -2.130 8.555 0.659 1.00 0.99 H new ATOM 0 HB3 ALA A 15 -3.528 9.655 0.614 1.00 0.99 H new ATOM 222 N THR A 16 -3.622 9.886 -2.851 1.00 0.73 N ATOM 223 CA THR A 16 -4.577 10.340 -3.883 1.00 0.65 C ATOM 224 C THR A 16 -5.849 9.480 -3.884 1.00 0.64 C ATOM 225 O THR A 16 -5.812 8.309 -4.261 1.00 0.83 O ATOM 226 CB THR A 16 -3.918 10.332 -5.273 1.00 0.81 C ATOM 227 OG1 THR A 16 -2.743 11.115 -5.264 1.00 0.95 O ATOM 228 CG2 THR A 16 -4.823 10.940 -6.346 1.00 0.81 C ATOM 0 H THR A 16 -3.465 8.878 -2.873 1.00 0.73 H new ATOM 0 HA THR A 16 -4.866 11.363 -3.642 1.00 0.65 H new ATOM 0 HB THR A 16 -3.713 9.286 -5.501 1.00 0.81 H new ATOM 0 HG1 THR A 16 -2.333 11.100 -6.154 1.00 0.95 H new ATOM 0 HG21 THR A 16 -4.314 10.912 -7.310 1.00 0.81 H new ATOM 0 HG22 THR A 16 -5.749 10.368 -6.408 1.00 0.81 H new ATOM 0 HG23 THR A 16 -5.051 11.974 -6.086 1.00 0.81 H new ATOM 236 N ILE A 17 -6.973 10.074 -3.473 1.00 0.55 N ATOM 237 CA ILE A 17 -8.310 9.457 -3.387 1.00 0.62 C ATOM 238 C ILE A 17 -9.142 9.838 -4.622 1.00 0.60 C ATOM 239 O ILE A 17 -9.049 10.965 -5.107 1.00 0.66 O ATOM 240 CB ILE A 17 -9.019 9.888 -2.073 1.00 0.70 C ATOM 241 CG1 ILE A 17 -8.148 9.577 -0.826 1.00 0.82 C ATOM 242 CG2 ILE A 17 -10.408 9.227 -1.952 1.00 0.77 C ATOM 243 CD1 ILE A 17 -8.786 9.934 0.525 1.00 0.98 C ATOM 0 H ILE A 17 -6.981 11.049 -3.175 1.00 0.55 H new ATOM 0 HA ILE A 17 -8.205 8.372 -3.368 1.00 0.62 H new ATOM 0 HB ILE A 17 -9.159 10.968 -2.116 1.00 0.70 H new ATOM 0 HG12 ILE A 17 -7.908 8.514 -0.826 1.00 0.82 H new ATOM 0 HG13 ILE A 17 -7.205 10.116 -0.918 1.00 0.82 H new ATOM 0 HG21 ILE A 17 -10.883 9.545 -1.024 1.00 0.77 H new ATOM 0 HG22 ILE A 17 -11.028 9.525 -2.798 1.00 0.77 H new ATOM 0 HG23 ILE A 17 -10.296 8.143 -1.949 1.00 0.77 H new ATOM 0 HD11 ILE A 17 -8.098 9.678 1.331 1.00 0.98 H new ATOM 0 HD12 ILE A 17 -9.000 11.002 0.556 1.00 0.98 H new ATOM 0 HD13 ILE A 17 -9.714 9.375 0.648 1.00 0.98 H new ATOM 255 N VAL A 18 -10.001 8.939 -5.111 1.00 0.56 N ATOM 256 CA VAL A 18 -10.964 9.233 -6.189 1.00 0.58 C ATOM 257 C VAL A 18 -12.417 9.228 -5.699 1.00 0.76 C ATOM 258 O VAL A 18 -12.845 8.335 -4.957 1.00 0.93 O ATOM 259 CB VAL A 18 -10.731 8.357 -7.434 1.00 0.69 C ATOM 260 CG1 VAL A 18 -9.310 8.578 -7.974 1.00 2.02 C ATOM 261 CG2 VAL A 18 -10.898 6.854 -7.195 1.00 1.93 C ATOM 0 H VAL A 18 -10.052 7.979 -4.771 1.00 0.56 H new ATOM 0 HA VAL A 18 -10.774 10.257 -6.510 1.00 0.58 H new ATOM 0 HB VAL A 18 -11.499 8.668 -8.142 1.00 0.69 H new ATOM 0 HG11 VAL A 18 -9.154 7.954 -8.854 1.00 2.02 H new ATOM 0 HG12 VAL A 18 -9.183 9.626 -8.245 1.00 2.02 H new ATOM 0 HG13 VAL A 18 -8.583 8.310 -7.207 1.00 2.02 H new ATOM 0 HG21 VAL A 18 -10.716 6.315 -8.125 1.00 1.93 H new ATOM 0 HG22 VAL A 18 -10.185 6.524 -6.439 1.00 1.93 H new ATOM 0 HG23 VAL A 18 -11.912 6.651 -6.851 1.00 1.93 H new ATOM 271 N THR A 19 -13.173 10.255 -6.098 1.00 0.85 N ATOM 272 CA THR A 19 -14.539 10.545 -5.623 1.00 1.13 C ATOM 273 C THR A 19 -15.584 10.376 -6.727 1.00 1.18 C ATOM 274 O THR A 19 -15.413 10.890 -7.837 1.00 1.11 O ATOM 275 CB THR A 19 -14.631 11.951 -4.994 1.00 1.37 C ATOM 276 OG1 THR A 19 -13.800 12.046 -3.857 1.00 1.59 O ATOM 277 CG2 THR A 19 -16.035 12.291 -4.492 1.00 1.77 C ATOM 0 H THR A 19 -12.844 10.934 -6.784 1.00 0.85 H new ATOM 0 HA THR A 19 -14.762 9.810 -4.849 1.00 1.13 H new ATOM 0 HB THR A 19 -14.335 12.633 -5.791 1.00 1.37 H new ATOM 0 HG1 THR A 19 -13.786 12.973 -3.539 1.00 1.59 H new ATOM 0 HG21 THR A 19 -16.035 13.292 -4.061 1.00 1.77 H new ATOM 0 HG22 THR A 19 -16.738 12.255 -5.324 1.00 1.77 H new ATOM 0 HG23 THR A 19 -16.335 11.569 -3.732 1.00 1.77 H new ATOM 391 N LEU A 27 -16.644 11.834 -11.726 1.00 1.85 N ATOM 392 CA LEU A 27 -15.198 11.904 -11.997 1.00 1.47 C ATOM 393 C LEU A 27 -14.511 13.096 -11.291 1.00 1.38 C ATOM 394 O LEU A 27 -14.420 14.212 -11.809 1.00 1.92 O ATOM 395 CB LEU A 27 -14.856 11.778 -13.501 1.00 2.37 C ATOM 396 CG LEU A 27 -15.227 10.465 -14.231 1.00 3.20 C ATOM 397 CD1 LEU A 27 -14.776 9.205 -13.490 1.00 2.22 C ATOM 398 CD2 LEU A 27 -16.720 10.319 -14.525 1.00 4.96 C ATOM 0 HA LEU A 27 -14.761 11.017 -11.539 1.00 1.47 H new ATOM 0 HB2 LEU A 27 -15.347 12.599 -14.023 1.00 2.37 H new ATOM 0 HB3 LEU A 27 -13.782 11.927 -13.611 1.00 2.37 H new ATOM 0 HG LEU A 27 -14.683 10.552 -15.171 1.00 3.20 H new ATOM 0 HD11 LEU A 27 -15.070 8.323 -14.060 1.00 2.22 H new ATOM 0 HD12 LEU A 27 -13.692 9.219 -13.375 1.00 2.22 H new ATOM 0 HD13 LEU A 27 -15.245 9.174 -12.506 1.00 2.22 H new ATOM 0 HD21 LEU A 27 -16.899 9.374 -15.038 1.00 4.96 H new ATOM 0 HD22 LEU A 27 -17.278 10.336 -13.589 1.00 4.96 H new ATOM 0 HD23 LEU A 27 -17.048 11.143 -15.158 1.00 4.96 H new ATOM 410 N SER A 28 -14.017 12.834 -10.077 1.00 1.01 N ATOM 411 CA SER A 28 -13.246 13.772 -9.245 1.00 0.98 C ATOM 412 C SER A 28 -12.071 13.071 -8.544 1.00 0.92 C ATOM 413 O SER A 28 -12.118 11.857 -8.314 1.00 1.42 O ATOM 414 CB SER A 28 -14.203 14.405 -8.232 1.00 1.22 C ATOM 415 OG SER A 28 -13.546 15.341 -7.406 1.00 1.51 O ATOM 0 H SER A 28 -14.147 11.928 -9.626 1.00 1.01 H new ATOM 0 HA SER A 28 -12.808 14.546 -9.875 1.00 0.98 H new ATOM 0 HB2 SER A 28 -15.019 14.897 -8.761 1.00 1.22 H new ATOM 0 HB3 SER A 28 -14.648 13.624 -7.615 1.00 1.22 H new ATOM 0 HG SER A 28 -14.188 15.726 -6.773 1.00 1.51 H new ATOM 421 N GLU A 29 -11.009 13.807 -8.198 1.00 0.81 N ATOM 422 CA GLU A 29 -9.858 13.320 -7.419 1.00 0.70 C ATOM 423 C GLU A 29 -9.471 14.304 -6.298 1.00 0.74 C ATOM 424 O GLU A 29 -9.423 15.517 -6.509 1.00 0.88 O ATOM 425 CB GLU A 29 -8.623 13.067 -8.305 1.00 0.82 C ATOM 426 CG GLU A 29 -8.847 12.171 -9.535 1.00 0.92 C ATOM 427 CD GLU A 29 -9.385 12.901 -10.772 1.00 1.80 C ATOM 428 OE1 GLU A 29 -9.035 14.077 -11.032 1.00 2.83 O ATOM 429 OE2 GLU A 29 -10.114 12.266 -11.572 1.00 2.82 O ATOM 0 H GLU A 29 -10.921 14.789 -8.459 1.00 0.81 H new ATOM 0 HA GLU A 29 -10.176 12.376 -6.977 1.00 0.70 H new ATOM 0 HB2 GLU A 29 -8.242 14.030 -8.646 1.00 0.82 H new ATOM 0 HB3 GLU A 29 -7.845 12.616 -7.689 1.00 0.82 H new ATOM 0 HG2 GLU A 29 -7.903 11.692 -9.795 1.00 0.92 H new ATOM 0 HG3 GLU A 29 -9.544 11.377 -9.267 1.00 0.92 H new ATOM 436 N GLU A 30 -9.143 13.786 -5.114 1.00 0.69 N ATOM 437 CA GLU A 30 -8.715 14.541 -3.928 1.00 0.76 C ATOM 438 C GLU A 30 -7.297 14.105 -3.507 1.00 0.67 C ATOM 439 O GLU A 30 -7.054 12.910 -3.312 1.00 0.58 O ATOM 440 CB GLU A 30 -9.678 14.329 -2.728 1.00 0.84 C ATOM 441 CG GLU A 30 -11.138 13.897 -2.980 1.00 1.34 C ATOM 442 CD GLU A 30 -12.132 14.999 -3.375 1.00 1.94 C ATOM 443 OE1 GLU A 30 -11.760 16.184 -3.554 1.00 2.27 O ATOM 444 OE2 GLU A 30 -13.345 14.675 -3.456 1.00 3.35 O ATOM 0 H GLU A 30 -9.169 12.781 -4.944 1.00 0.69 H new ATOM 0 HA GLU A 30 -8.724 15.597 -4.198 1.00 0.76 H new ATOM 0 HB2 GLU A 30 -9.226 13.581 -2.077 1.00 0.84 H new ATOM 0 HB3 GLU A 30 -9.708 15.263 -2.167 1.00 0.84 H new ATOM 0 HG2 GLU A 30 -11.137 13.143 -3.767 1.00 1.34 H new ATOM 0 HG3 GLU A 30 -11.509 13.414 -2.076 1.00 1.34 H new ATOM 451 N GLN A 31 -6.354 15.032 -3.298 1.00 0.78 N ATOM 452 CA GLN A 31 -5.069 14.713 -2.664 1.00 0.81 C ATOM 453 C GLN A 31 -5.118 15.017 -1.163 1.00 0.84 C ATOM 454 O GLN A 31 -5.578 16.088 -0.750 1.00 1.05 O ATOM 455 CB GLN A 31 -3.904 15.457 -3.330 1.00 0.98 C ATOM 456 CG GLN A 31 -3.324 14.702 -4.540 1.00 1.10 C ATOM 457 CD GLN A 31 -1.810 14.595 -4.412 1.00 1.65 C ATOM 458 OE1 GLN A 31 -1.051 15.324 -5.037 1.00 1.97 O ATOM 459 NE2 GLN A 31 -1.311 13.756 -3.533 1.00 2.13 N ATOM 0 H GLN A 31 -6.458 16.012 -3.560 1.00 0.78 H new ATOM 0 HA GLN A 31 -4.894 13.646 -2.799 1.00 0.81 H new ATOM 0 HB2 GLN A 31 -4.245 16.441 -3.652 1.00 0.98 H new ATOM 0 HB3 GLN A 31 -3.115 15.617 -2.596 1.00 0.98 H new ATOM 0 HG2 GLN A 31 -3.763 13.706 -4.602 1.00 1.10 H new ATOM 0 HG3 GLN A 31 -3.583 15.223 -5.462 1.00 1.10 H new ATOM 0 HE21 GLN A 31 -1.931 13.142 -3.005 1.00 2.13 H new ATOM 0 HE22 GLN A 31 -0.303 13.718 -3.379 1.00 2.13 H new ATOM 468 N VAL A 32 -4.627 14.077 -0.355 1.00 0.71 N ATOM 469 CA VAL A 32 -4.745 14.099 1.113 1.00 0.74 C ATOM 470 C VAL A 32 -3.437 13.747 1.818 1.00 0.76 C ATOM 471 O VAL A 32 -2.579 13.058 1.272 1.00 0.76 O ATOM 472 CB VAL A 32 -5.874 13.166 1.607 1.00 0.75 C ATOM 473 CG1 VAL A 32 -7.235 13.511 0.990 1.00 0.87 C ATOM 474 CG2 VAL A 32 -5.592 11.678 1.358 1.00 0.73 C ATOM 0 H VAL A 32 -4.125 13.261 -0.704 1.00 0.71 H new ATOM 0 HA VAL A 32 -4.995 15.127 1.374 1.00 0.74 H new ATOM 0 HB VAL A 32 -5.907 13.337 2.683 1.00 0.75 H new ATOM 0 HG11 VAL A 32 -7.992 12.825 1.371 1.00 0.87 H new ATOM 0 HG12 VAL A 32 -7.506 14.533 1.254 1.00 0.87 H new ATOM 0 HG13 VAL A 32 -7.176 13.420 -0.095 1.00 0.87 H new ATOM 0 HG21 VAL A 32 -6.426 11.082 1.730 1.00 0.73 H new ATOM 0 HG22 VAL A 32 -5.470 11.505 0.289 1.00 0.73 H new ATOM 0 HG23 VAL A 32 -4.679 11.389 1.878 1.00 0.73 H new ATOM 484 N ASP A 33 -3.317 14.166 3.072 1.00 0.86 N ATOM 485 CA ASP A 33 -2.214 13.803 3.966 1.00 0.99 C ATOM 486 C ASP A 33 -2.428 12.363 4.488 1.00 0.96 C ATOM 487 O ASP A 33 -3.569 11.921 4.634 1.00 0.88 O ATOM 488 CB ASP A 33 -2.127 14.832 5.104 1.00 1.15 C ATOM 489 CG ASP A 33 -1.871 16.274 4.635 1.00 2.70 C ATOM 490 OD1 ASP A 33 -2.611 16.818 3.781 1.00 4.18 O ATOM 491 OD2 ASP A 33 -0.939 16.914 5.177 1.00 3.33 O ATOM 0 H ASP A 33 -4.000 14.784 3.511 1.00 0.86 H new ATOM 0 HA ASP A 33 -1.263 13.819 3.433 1.00 0.99 H new ATOM 0 HB2 ASP A 33 -3.057 14.807 5.673 1.00 1.15 H new ATOM 0 HB3 ASP A 33 -1.329 14.537 5.785 1.00 1.15 H new ATOM 496 N VAL A 34 -1.361 11.602 4.770 1.00 1.13 N ATOM 497 CA VAL A 34 -1.469 10.147 5.032 1.00 1.18 C ATOM 498 C VAL A 34 -2.366 9.758 6.219 1.00 1.06 C ATOM 499 O VAL A 34 -2.998 8.705 6.185 1.00 1.14 O ATOM 500 CB VAL A 34 -0.074 9.492 5.137 1.00 1.41 C ATOM 501 CG1 VAL A 34 0.665 9.876 6.424 1.00 1.44 C ATOM 502 CG2 VAL A 34 -0.141 7.963 5.029 1.00 1.57 C ATOM 0 H VAL A 34 -0.409 11.964 4.824 1.00 1.13 H new ATOM 0 HA VAL A 34 -1.986 9.746 4.160 1.00 1.18 H new ATOM 0 HB VAL A 34 0.488 9.882 4.288 1.00 1.41 H new ATOM 0 HG11 VAL A 34 1.639 9.387 6.444 1.00 1.44 H new ATOM 0 HG12 VAL A 34 0.801 10.957 6.457 1.00 1.44 H new ATOM 0 HG13 VAL A 34 0.081 9.557 7.288 1.00 1.44 H new ATOM 0 HG21 VAL A 34 0.864 7.548 5.108 1.00 1.57 H new ATOM 0 HG22 VAL A 34 -0.761 7.568 5.834 1.00 1.57 H new ATOM 0 HG23 VAL A 34 -0.573 7.685 4.068 1.00 1.57 H new ATOM 512 N GLU A 35 -2.501 10.594 7.253 1.00 1.02 N ATOM 513 CA GLU A 35 -3.404 10.317 8.387 1.00 1.11 C ATOM 514 C GLU A 35 -4.897 10.562 8.064 1.00 1.10 C ATOM 515 O GLU A 35 -5.774 10.219 8.864 1.00 1.21 O ATOM 516 CB GLU A 35 -2.907 11.098 9.613 1.00 1.37 C ATOM 517 CG GLU A 35 -3.553 10.647 10.931 1.00 1.78 C ATOM 518 CD GLU A 35 -2.675 11.005 12.132 1.00 2.31 C ATOM 519 OE1 GLU A 35 -2.519 12.207 12.456 1.00 2.61 O ATOM 520 OE2 GLU A 35 -2.097 10.078 12.752 1.00 3.47 O ATOM 0 H GLU A 35 -1.995 11.476 7.333 1.00 1.02 H new ATOM 0 HA GLU A 35 -3.367 9.251 8.610 1.00 1.11 H new ATOM 0 HB2 GLU A 35 -1.826 10.986 9.691 1.00 1.37 H new ATOM 0 HB3 GLU A 35 -3.108 12.159 9.464 1.00 1.37 H new ATOM 0 HG2 GLU A 35 -4.530 11.118 11.039 1.00 1.78 H new ATOM 0 HG3 GLU A 35 -3.719 9.570 10.907 1.00 1.78 H new ATOM 527 N LEU A 36 -5.196 11.123 6.885 1.00 1.00 N ATOM 528 CA LEU A 36 -6.541 11.462 6.405 1.00 1.06 C ATOM 529 C LEU A 36 -7.113 10.431 5.407 1.00 1.13 C ATOM 530 O LEU A 36 -8.289 10.522 5.049 1.00 1.26 O ATOM 531 CB LEU A 36 -6.526 12.881 5.798 1.00 1.01 C ATOM 532 CG LEU A 36 -5.874 13.984 6.658 1.00 1.10 C ATOM 533 CD1 LEU A 36 -5.938 15.326 5.927 1.00 1.20 C ATOM 534 CD2 LEU A 36 -6.561 14.156 8.010 1.00 1.29 C ATOM 0 H LEU A 36 -4.472 11.364 6.208 1.00 1.00 H new ATOM 0 HA LEU A 36 -7.211 11.437 7.264 1.00 1.06 H new ATOM 0 HB2 LEU A 36 -6.004 12.839 4.842 1.00 1.01 H new ATOM 0 HB3 LEU A 36 -7.554 13.174 5.587 1.00 1.01 H new ATOM 0 HG LEU A 36 -4.843 13.674 6.826 1.00 1.10 H new ATOM 0 HD11 LEU A 36 -5.475 16.098 6.542 1.00 1.20 H new ATOM 0 HD12 LEU A 36 -5.405 15.250 4.979 1.00 1.20 H new ATOM 0 HD13 LEU A 36 -6.979 15.588 5.738 1.00 1.20 H new ATOM 0 HD21 LEU A 36 -6.062 14.944 8.574 1.00 1.29 H new ATOM 0 HD22 LEU A 36 -7.606 14.426 7.856 1.00 1.29 H new ATOM 0 HD23 LEU A 36 -6.506 13.221 8.567 1.00 1.29 H new ATOM 546 N VAL A 37 -6.327 9.434 4.978 1.00 1.15 N ATOM 547 CA VAL A 37 -6.799 8.260 4.214 1.00 1.32 C ATOM 548 C VAL A 37 -7.054 7.102 5.185 1.00 1.72 C ATOM 549 O VAL A 37 -6.221 6.822 6.051 1.00 2.33 O ATOM 550 CB VAL A 37 -5.847 7.896 3.053 1.00 1.26 C ATOM 551 CG1 VAL A 37 -4.373 7.767 3.449 1.00 1.45 C ATOM 552 CG2 VAL A 37 -6.271 6.604 2.350 1.00 1.52 C ATOM 0 H VAL A 37 -5.322 9.416 5.154 1.00 1.15 H new ATOM 0 HA VAL A 37 -7.743 8.502 3.725 1.00 1.32 H new ATOM 0 HB VAL A 37 -5.932 8.747 2.377 1.00 1.26 H new ATOM 0 HG11 VAL A 37 -3.781 7.510 2.570 1.00 1.45 H new ATOM 0 HG12 VAL A 37 -4.022 8.714 3.858 1.00 1.45 H new ATOM 0 HG13 VAL A 37 -4.265 6.985 4.201 1.00 1.45 H new ATOM 0 HG21 VAL A 37 -5.575 6.385 1.540 1.00 1.52 H new ATOM 0 HG22 VAL A 37 -6.266 5.782 3.066 1.00 1.52 H new ATOM 0 HG23 VAL A 37 -7.275 6.724 1.943 1.00 1.52 H new ATOM 562 N GLN A 38 -8.232 6.472 5.098 1.00 1.57 N ATOM 563 CA GLN A 38 -8.722 5.497 6.081 1.00 1.73 C ATOM 564 C GLN A 38 -9.465 4.318 5.408 1.00 1.28 C ATOM 565 O GLN A 38 -9.518 4.213 4.182 1.00 1.24 O ATOM 566 CB GLN A 38 -9.558 6.220 7.165 1.00 2.16 C ATOM 567 CG GLN A 38 -8.882 7.490 7.703 1.00 3.30 C ATOM 568 CD GLN A 38 -9.586 8.049 8.901 1.00 4.09 C ATOM 569 OE1 GLN A 38 -9.080 8.011 10.015 1.00 5.51 O ATOM 570 NE2 GLN A 38 -10.767 8.563 8.739 1.00 3.58 N ATOM 0 H GLN A 38 -8.883 6.628 4.329 1.00 1.57 H new ATOM 0 HA GLN A 38 -7.870 5.039 6.583 1.00 1.73 H new ATOM 0 HB2 GLN A 38 -10.531 6.482 6.749 1.00 2.16 H new ATOM 0 HB3 GLN A 38 -9.739 5.534 7.993 1.00 2.16 H new ATOM 0 HG2 GLN A 38 -7.848 7.265 7.965 1.00 3.30 H new ATOM 0 HG3 GLN A 38 -8.854 8.244 6.917 1.00 3.30 H new ATOM 0 HE21 GLN A 38 -11.187 8.594 7.810 1.00 3.58 H new ATOM 0 HE22 GLN A 38 -11.275 8.936 9.541 1.00 3.58 H new ATOM 579 N ARG A 39 -10.041 3.418 6.218 1.00 1.04 N ATOM 580 CA ARG A 39 -10.581 2.090 5.837 1.00 0.95 C ATOM 581 C ARG A 39 -11.813 2.035 4.901 1.00 0.99 C ATOM 582 O ARG A 39 -12.444 0.981 4.820 1.00 1.82 O ATOM 583 CB ARG A 39 -10.773 1.246 7.120 1.00 0.93 C ATOM 584 CG ARG A 39 -11.996 1.673 7.933 1.00 0.88 C ATOM 585 CD ARG A 39 -12.063 1.000 9.308 1.00 1.24 C ATOM 586 NE ARG A 39 -13.281 1.428 10.018 1.00 1.50 N ATOM 587 CZ ARG A 39 -13.617 1.211 11.274 1.00 2.12 C ATOM 588 NH1 ARG A 39 -12.875 0.596 12.146 1.00 3.20 N ATOM 589 NH2 ARG A 39 -14.763 1.645 11.697 1.00 2.34 N ATOM 0 H ARG A 39 -10.152 3.601 7.215 1.00 1.04 H new ATOM 0 HA ARG A 39 -9.823 1.661 5.181 1.00 0.95 H new ATOM 0 HB2 ARG A 39 -10.873 0.196 6.847 1.00 0.93 H new ATOM 0 HB3 ARG A 39 -9.882 1.330 7.742 1.00 0.93 H new ATOM 0 HG2 ARG A 39 -11.979 2.755 8.064 1.00 0.88 H new ATOM 0 HG3 ARG A 39 -12.900 1.434 7.373 1.00 0.88 H new ATOM 0 HD2 ARG A 39 -12.061 -0.084 9.192 1.00 1.24 H new ATOM 0 HD3 ARG A 39 -11.181 1.260 9.893 1.00 1.24 H new ATOM 0 HE ARG A 39 -13.952 1.962 9.465 1.00 1.50 H new ATOM 0 HH11 ARG A 39 -11.958 0.241 11.875 1.00 3.20 H new ATOM 0 HH12 ARG A 39 -13.210 0.469 13.101 1.00 3.20 H new ATOM 0 HH21 ARG A 39 -15.386 2.144 11.061 1.00 2.34 H new ATOM 0 HH22 ARG A 39 -15.042 1.488 12.665 1.00 2.34 H new ATOM 603 N GLY A 40 -12.159 3.129 4.221 1.00 0.97 N ATOM 604 CA GLY A 40 -13.282 3.221 3.270 1.00 1.00 C ATOM 605 C GLY A 40 -12.989 4.004 1.979 1.00 1.05 C ATOM 606 O GLY A 40 -13.920 4.327 1.236 1.00 1.17 O ATOM 0 H GLY A 40 -11.652 4.009 4.316 1.00 0.97 H new ATOM 0 HA2 GLY A 40 -13.592 2.211 3.000 1.00 1.00 H new ATOM 0 HA3 GLY A 40 -14.127 3.689 3.775 1.00 1.00 H new ATOM 610 N ASP A 41 -11.729 4.364 1.709 1.00 1.09 N ATOM 611 CA ASP A 41 -11.336 5.175 0.544 1.00 1.19 C ATOM 612 C ASP A 41 -10.896 4.341 -0.675 1.00 0.88 C ATOM 613 O ASP A 41 -10.317 3.263 -0.520 1.00 0.90 O ATOM 614 CB ASP A 41 -10.234 6.154 0.971 1.00 1.53 C ATOM 615 CG ASP A 41 -10.762 7.143 2.007 1.00 1.99 C ATOM 616 OD1 ASP A 41 -11.749 7.850 1.703 1.00 2.03 O ATOM 617 OD2 ASP A 41 -10.249 7.191 3.150 1.00 3.10 O ATOM 0 H ASP A 41 -10.941 4.098 2.300 1.00 1.09 H new ATOM 0 HA ASP A 41 -12.220 5.719 0.210 1.00 1.19 H new ATOM 0 HB2 ASP A 41 -9.391 5.602 1.385 1.00 1.53 H new ATOM 0 HB3 ASP A 41 -9.864 6.695 0.100 1.00 1.53 H new ATOM 622 N ILE A 42 -11.138 4.851 -1.891 1.00 0.68 N ATOM 623 CA ILE A 42 -10.628 4.274 -3.150 1.00 0.56 C ATOM 624 C ILE A 42 -9.478 5.129 -3.691 1.00 0.52 C ATOM 625 O ILE A 42 -9.639 6.333 -3.904 1.00 0.56 O ATOM 626 CB ILE A 42 -11.735 4.115 -4.215 1.00 0.66 C ATOM 627 CG1 ILE A 42 -12.948 3.305 -3.714 1.00 0.84 C ATOM 628 CG2 ILE A 42 -11.168 3.466 -5.494 1.00 0.64 C ATOM 629 CD1 ILE A 42 -12.668 1.894 -3.190 1.00 1.62 C ATOM 0 H ILE A 42 -11.702 5.689 -2.033 1.00 0.68 H new ATOM 0 HA ILE A 42 -10.259 3.273 -2.926 1.00 0.56 H new ATOM 0 HB ILE A 42 -12.091 5.121 -4.436 1.00 0.66 H new ATOM 0 HG12 ILE A 42 -13.431 3.873 -2.919 1.00 0.84 H new ATOM 0 HG13 ILE A 42 -13.666 3.228 -4.531 1.00 0.84 H new ATOM 0 HG21 ILE A 42 -11.963 3.362 -6.233 1.00 0.64 H new ATOM 0 HG22 ILE A 42 -10.375 4.094 -5.900 1.00 0.64 H new ATOM 0 HG23 ILE A 42 -10.765 2.482 -5.255 1.00 0.64 H new ATOM 0 HD11 ILE A 42 -13.602 1.433 -2.869 1.00 1.62 H new ATOM 0 HD12 ILE A 42 -12.220 1.294 -3.982 1.00 1.62 H new ATOM 0 HD13 ILE A 42 -11.982 1.949 -2.345 1.00 1.62 H new ATOM 641 N ILE A 43 -8.327 4.501 -3.922 1.00 0.50 N ATOM 642 CA ILE A 43 -7.070 5.104 -4.386 1.00 0.63 C ATOM 643 C ILE A 43 -6.874 4.893 -5.899 1.00 0.72 C ATOM 644 O ILE A 43 -7.476 3.997 -6.489 1.00 1.41 O ATOM 645 CB ILE A 43 -5.920 4.504 -3.527 1.00 1.01 C ATOM 646 CG1 ILE A 43 -6.173 4.646 -2.003 1.00 1.17 C ATOM 647 CG2 ILE A 43 -4.524 5.063 -3.855 1.00 1.31 C ATOM 648 CD1 ILE A 43 -6.426 6.080 -1.518 1.00 1.32 C ATOM 0 H ILE A 43 -8.237 3.495 -3.783 1.00 0.50 H new ATOM 0 HA ILE A 43 -7.083 6.186 -4.253 1.00 0.63 H new ATOM 0 HB ILE A 43 -5.926 3.449 -3.800 1.00 1.01 H new ATOM 0 HG12 ILE A 43 -7.031 4.031 -1.734 1.00 1.17 H new ATOM 0 HG13 ILE A 43 -5.312 4.244 -1.468 1.00 1.17 H new ATOM 0 HG21 ILE A 43 -3.782 4.591 -3.210 1.00 1.31 H new ATOM 0 HG22 ILE A 43 -4.284 4.854 -4.898 1.00 1.31 H new ATOM 0 HG23 ILE A 43 -4.515 6.140 -3.690 1.00 1.31 H new ATOM 0 HD11 ILE A 43 -6.592 6.076 -0.441 1.00 1.32 H new ATOM 0 HD12 ILE A 43 -5.560 6.700 -1.749 1.00 1.32 H new ATOM 0 HD13 ILE A 43 -7.306 6.484 -2.019 1.00 1.32 H new ATOM 660 N LYS A 44 -5.975 5.671 -6.515 1.00 0.69 N ATOM 661 CA LYS A 44 -5.501 5.490 -7.903 1.00 0.71 C ATOM 662 C LYS A 44 -3.971 5.570 -7.958 1.00 0.93 C ATOM 663 O LYS A 44 -3.393 6.510 -7.406 1.00 1.10 O ATOM 664 CB LYS A 44 -6.189 6.499 -8.829 1.00 0.77 C ATOM 665 CG LYS A 44 -5.853 6.169 -10.291 1.00 1.62 C ATOM 666 CD LYS A 44 -6.592 7.064 -11.283 1.00 1.88 C ATOM 667 CE LYS A 44 -8.086 6.740 -11.394 1.00 1.76 C ATOM 668 NZ LYS A 44 -8.710 7.391 -12.570 1.00 2.01 N ATOM 0 H LYS A 44 -5.541 6.469 -6.052 1.00 0.69 H new ATOM 0 HA LYS A 44 -5.773 4.497 -8.260 1.00 0.71 H new ATOM 0 HB2 LYS A 44 -7.268 6.470 -8.678 1.00 0.77 H new ATOM 0 HB3 LYS A 44 -5.861 7.510 -8.589 1.00 0.77 H new ATOM 0 HG2 LYS A 44 -4.779 6.273 -10.445 1.00 1.62 H new ATOM 0 HG3 LYS A 44 -6.104 5.127 -10.491 1.00 1.62 H new ATOM 0 HD2 LYS A 44 -6.474 8.105 -10.981 1.00 1.88 H new ATOM 0 HD3 LYS A 44 -6.131 6.964 -12.266 1.00 1.88 H new ATOM 0 HE2 LYS A 44 -8.218 5.660 -11.465 1.00 1.76 H new ATOM 0 HE3 LYS A 44 -8.596 7.065 -10.487 1.00 1.76 H new ATOM 0 HZ1 LYS A 44 -9.720 7.146 -12.607 1.00 2.01 H new ATOM 0 HZ2 LYS A 44 -8.607 8.423 -12.491 1.00 2.01 H new ATOM 0 HZ3 LYS A 44 -8.242 7.062 -13.438 1.00 2.01 H new ATOM 682 N VAL A 45 -3.308 4.595 -8.588 1.00 0.95 N ATOM 683 CA VAL A 45 -1.835 4.464 -8.606 1.00 1.00 C ATOM 684 C VAL A 45 -1.281 4.241 -10.020 1.00 1.06 C ATOM 685 O VAL A 45 -1.897 3.550 -10.833 1.00 1.01 O ATOM 686 CB VAL A 45 -1.394 3.350 -7.628 1.00 0.82 C ATOM 687 CG1 VAL A 45 -1.571 1.940 -8.200 1.00 0.67 C ATOM 688 CG2 VAL A 45 0.072 3.506 -7.204 1.00 0.88 C ATOM 0 H VAL A 45 -3.782 3.858 -9.111 1.00 0.95 H new ATOM 0 HA VAL A 45 -1.409 5.409 -8.269 1.00 1.00 H new ATOM 0 HB VAL A 45 -2.050 3.466 -6.766 1.00 0.82 H new ATOM 0 HG11 VAL A 45 -1.243 1.205 -7.465 1.00 0.67 H new ATOM 0 HG12 VAL A 45 -2.622 1.773 -8.437 1.00 0.67 H new ATOM 0 HG13 VAL A 45 -0.974 1.837 -9.106 1.00 0.67 H new ATOM 0 HG21 VAL A 45 0.340 2.703 -6.517 1.00 0.88 H new ATOM 0 HG22 VAL A 45 0.712 3.459 -8.085 1.00 0.88 H new ATOM 0 HG23 VAL A 45 0.207 4.467 -6.708 1.00 0.88 H new ATOM 698 N VAL A 46 -0.107 4.812 -10.302 1.00 1.27 N ATOM 699 CA VAL A 46 0.542 4.817 -11.630 1.00 1.45 C ATOM 700 C VAL A 46 1.635 3.740 -11.773 1.00 1.39 C ATOM 701 O VAL A 46 2.115 3.212 -10.765 1.00 1.25 O ATOM 702 CB VAL A 46 1.143 6.213 -11.936 1.00 1.73 C ATOM 703 CG1 VAL A 46 0.153 7.341 -11.648 1.00 1.67 C ATOM 704 CG2 VAL A 46 2.429 6.510 -11.154 1.00 1.97 C ATOM 0 H VAL A 46 0.441 5.301 -9.594 1.00 1.27 H new ATOM 0 HA VAL A 46 -0.239 4.582 -12.353 1.00 1.45 H new ATOM 0 HB VAL A 46 1.377 6.176 -13.000 1.00 1.73 H new ATOM 0 HG11 VAL A 46 0.618 8.300 -11.877 1.00 1.67 H new ATOM 0 HG12 VAL A 46 -0.736 7.212 -12.266 1.00 1.67 H new ATOM 0 HG13 VAL A 46 -0.130 7.317 -10.596 1.00 1.67 H new ATOM 0 HG21 VAL A 46 2.794 7.503 -11.417 1.00 1.97 H new ATOM 0 HG22 VAL A 46 2.222 6.471 -10.085 1.00 1.97 H new ATOM 0 HG23 VAL A 46 3.186 5.767 -11.404 1.00 1.97 H new ATOM 714 N PRO A 47 2.079 3.407 -13.002 1.00 1.55 N ATOM 715 CA PRO A 47 3.300 2.630 -13.221 1.00 1.57 C ATOM 716 C PRO A 47 4.519 3.456 -12.771 1.00 1.58 C ATOM 717 O PRO A 47 4.921 4.424 -13.422 1.00 2.28 O ATOM 718 CB PRO A 47 3.326 2.318 -14.721 1.00 1.94 C ATOM 719 CG PRO A 47 2.466 3.418 -15.340 1.00 1.77 C ATOM 720 CD PRO A 47 1.416 3.675 -14.271 1.00 1.81 C ATOM 0 HA PRO A 47 3.327 1.705 -12.646 1.00 1.57 H new ATOM 0 HB2 PRO A 47 4.342 2.336 -15.115 1.00 1.94 H new ATOM 0 HB3 PRO A 47 2.920 1.328 -14.930 1.00 1.94 H new ATOM 0 HG2 PRO A 47 3.050 4.313 -15.556 1.00 1.77 H new ATOM 0 HG3 PRO A 47 2.015 3.097 -16.279 1.00 1.77 H new ATOM 0 HD2 PRO A 47 1.054 4.702 -14.315 1.00 1.81 H new ATOM 0 HD3 PRO A 47 0.551 3.026 -14.407 1.00 1.81 H new ATOM 728 N GLY A 48 5.098 3.075 -11.637 1.00 0.99 N ATOM 729 CA GLY A 48 6.107 3.842 -10.904 1.00 1.01 C ATOM 730 C GLY A 48 5.438 4.743 -9.866 1.00 1.42 C ATOM 731 O GLY A 48 5.428 5.966 -10.000 1.00 2.91 O ATOM 0 H GLY A 48 4.871 2.190 -11.184 1.00 0.99 H new ATOM 0 HA2 GLY A 48 6.803 3.163 -10.411 1.00 1.01 H new ATOM 0 HA3 GLY A 48 6.690 4.447 -11.599 1.00 1.01 H new ATOM 735 N GLY A 49 4.858 4.115 -8.843 1.00 0.80 N ATOM 736 CA GLY A 49 4.137 4.720 -7.721 1.00 0.85 C ATOM 737 C GLY A 49 4.099 3.734 -6.545 1.00 0.81 C ATOM 738 O GLY A 49 4.389 2.547 -6.726 1.00 1.06 O ATOM 0 H GLY A 49 4.881 3.098 -8.771 1.00 0.80 H new ATOM 0 HA2 GLY A 49 4.626 5.646 -7.418 1.00 0.85 H new ATOM 0 HA3 GLY A 49 3.123 4.980 -8.024 1.00 0.85 H new ATOM 742 N LYS A 50 3.779 4.199 -5.331 1.00 0.77 N ATOM 743 CA LYS A 50 3.863 3.400 -4.092 1.00 0.73 C ATOM 744 C LYS A 50 2.543 3.369 -3.315 1.00 0.74 C ATOM 745 O LYS A 50 1.738 4.304 -3.375 1.00 1.05 O ATOM 746 CB LYS A 50 5.002 3.919 -3.194 1.00 0.83 C ATOM 747 CG LYS A 50 6.373 4.029 -3.885 1.00 0.98 C ATOM 748 CD LYS A 50 7.431 4.475 -2.867 1.00 1.06 C ATOM 749 CE LYS A 50 8.806 4.692 -3.506 1.00 1.24 C ATOM 750 NZ LYS A 50 9.811 4.996 -2.464 1.00 1.60 N ATOM 0 H LYS A 50 3.450 5.152 -5.175 1.00 0.77 H new ATOM 0 HA LYS A 50 4.077 2.374 -4.392 1.00 0.73 H new ATOM 0 HB2 LYS A 50 4.724 4.901 -2.811 1.00 0.83 H new ATOM 0 HB3 LYS A 50 5.097 3.257 -2.334 1.00 0.83 H new ATOM 0 HG2 LYS A 50 6.652 3.068 -4.316 1.00 0.98 H new ATOM 0 HG3 LYS A 50 6.321 4.744 -4.706 1.00 0.98 H new ATOM 0 HD2 LYS A 50 7.105 5.400 -2.391 1.00 1.06 H new ATOM 0 HD3 LYS A 50 7.514 3.724 -2.081 1.00 1.06 H new ATOM 0 HE2 LYS A 50 9.103 3.801 -4.059 1.00 1.24 H new ATOM 0 HE3 LYS A 50 8.756 5.511 -4.224 1.00 1.24 H new ATOM 0 HZ1 LYS A 50 10.740 5.141 -2.909 1.00 1.60 H new ATOM 0 HZ2 LYS A 50 9.533 5.859 -1.954 1.00 1.60 H new ATOM 0 HZ3 LYS A 50 9.868 4.202 -1.795 1.00 1.60 H new ATOM 764 N PHE A 51 2.335 2.301 -2.548 1.00 0.61 N ATOM 765 CA PHE A 51 1.137 2.106 -1.719 1.00 0.65 C ATOM 766 C PHE A 51 1.285 2.745 -0.309 1.00 0.69 C ATOM 767 O PHE A 51 2.341 2.575 0.314 1.00 0.85 O ATOM 768 CB PHE A 51 0.832 0.605 -1.641 1.00 0.66 C ATOM 769 CG PHE A 51 0.618 -0.086 -2.980 1.00 0.59 C ATOM 770 CD1 PHE A 51 -0.506 0.217 -3.771 1.00 1.68 C ATOM 771 CD2 PHE A 51 1.549 -1.041 -3.436 1.00 1.56 C ATOM 772 CE1 PHE A 51 -0.694 -0.431 -5.006 1.00 1.64 C ATOM 773 CE2 PHE A 51 1.366 -1.677 -4.677 1.00 1.61 C ATOM 774 CZ PHE A 51 0.241 -1.374 -5.463 1.00 0.63 C ATOM 0 H PHE A 51 3.002 1.532 -2.481 1.00 0.61 H new ATOM 0 HA PHE A 51 0.296 2.620 -2.184 1.00 0.65 H new ATOM 0 HB2 PHE A 51 1.654 0.111 -1.123 1.00 0.66 H new ATOM 0 HB3 PHE A 51 -0.060 0.464 -1.031 1.00 0.66 H new ATOM 0 HD1 PHE A 51 -1.225 0.947 -3.430 1.00 1.68 H new ATOM 0 HD2 PHE A 51 2.408 -1.286 -2.829 1.00 1.56 H new ATOM 0 HE1 PHE A 51 -1.562 -0.202 -5.606 1.00 1.64 H new ATOM 0 HE2 PHE A 51 2.090 -2.398 -5.026 1.00 1.61 H new ATOM 0 HZ PHE A 51 0.096 -1.864 -6.414 1.00 0.63 H new ATOM 784 N PRO A 52 0.262 3.447 0.233 1.00 0.64 N ATOM 785 CA PRO A 52 0.326 4.114 1.548 1.00 0.64 C ATOM 786 C PRO A 52 -0.306 3.333 2.725 1.00 0.63 C ATOM 787 O PRO A 52 0.001 3.622 3.881 1.00 0.66 O ATOM 788 CB PRO A 52 -0.405 5.442 1.322 1.00 0.69 C ATOM 789 CG PRO A 52 -1.514 5.063 0.340 1.00 0.72 C ATOM 790 CD PRO A 52 -0.866 3.983 -0.527 1.00 0.68 C ATOM 0 HA PRO A 52 1.366 4.215 1.859 1.00 0.64 H new ATOM 0 HB2 PRO A 52 -0.809 5.843 2.251 1.00 0.69 H new ATOM 0 HB3 PRO A 52 0.258 6.202 0.908 1.00 0.69 H new ATOM 0 HG2 PRO A 52 -2.397 4.687 0.857 1.00 0.72 H new ATOM 0 HG3 PRO A 52 -1.833 5.918 -0.255 1.00 0.72 H new ATOM 0 HD2 PRO A 52 -1.582 3.196 -0.762 1.00 0.68 H new ATOM 0 HD3 PRO A 52 -0.529 4.401 -1.476 1.00 0.68 H new ATOM 798 N VAL A 53 -1.159 2.341 2.445 1.00 0.62 N ATOM 799 CA VAL A 53 -1.867 1.450 3.398 1.00 0.63 C ATOM 800 C VAL A 53 -2.091 0.088 2.716 1.00 0.61 C ATOM 801 O VAL A 53 -1.869 -0.023 1.509 1.00 0.64 O ATOM 802 CB VAL A 53 -3.208 2.040 3.912 1.00 0.73 C ATOM 803 CG1 VAL A 53 -3.006 2.807 5.223 1.00 1.04 C ATOM 804 CG2 VAL A 53 -3.916 2.976 2.924 1.00 1.08 C ATOM 0 H VAL A 53 -1.396 2.116 1.479 1.00 0.62 H new ATOM 0 HA VAL A 53 -1.242 1.338 4.284 1.00 0.63 H new ATOM 0 HB VAL A 53 -3.846 1.168 4.055 1.00 0.73 H new ATOM 0 HG11 VAL A 53 -3.961 3.209 5.560 1.00 1.04 H new ATOM 0 HG12 VAL A 53 -2.608 2.133 5.981 1.00 1.04 H new ATOM 0 HG13 VAL A 53 -2.304 3.625 5.061 1.00 1.04 H new ATOM 0 HG21 VAL A 53 -4.843 3.340 3.368 1.00 1.08 H new ATOM 0 HG22 VAL A 53 -3.267 3.821 2.695 1.00 1.08 H new ATOM 0 HG23 VAL A 53 -4.142 2.433 2.006 1.00 1.08 H new ATOM 814 N ASP A 54 -2.470 -0.960 3.459 1.00 0.65 N ATOM 815 CA ASP A 54 -2.714 -2.303 2.891 1.00 0.67 C ATOM 816 C ASP A 54 -4.197 -2.567 2.557 1.00 0.70 C ATOM 817 O ASP A 54 -5.093 -2.126 3.280 1.00 0.83 O ATOM 818 CB ASP A 54 -2.058 -3.393 3.756 1.00 0.78 C ATOM 819 CG ASP A 54 -2.895 -3.882 4.938 1.00 0.83 C ATOM 820 OD1 ASP A 54 -3.679 -4.842 4.762 1.00 1.83 O ATOM 821 OD2 ASP A 54 -2.716 -3.414 6.080 1.00 2.04 O ATOM 0 H ASP A 54 -2.617 -0.907 4.467 1.00 0.65 H new ATOM 0 HA ASP A 54 -2.222 -2.341 1.919 1.00 0.67 H new ATOM 0 HB2 ASP A 54 -1.824 -4.247 3.120 1.00 0.78 H new ATOM 0 HB3 ASP A 54 -1.111 -3.010 4.136 1.00 0.78 H new ATOM 826 N GLY A 55 -4.463 -3.270 1.450 1.00 0.65 N ATOM 827 CA GLY A 55 -5.818 -3.459 0.913 1.00 0.67 C ATOM 828 C GLY A 55 -5.864 -4.235 -0.411 1.00 0.62 C ATOM 829 O GLY A 55 -4.918 -4.946 -0.763 1.00 0.66 O ATOM 0 H GLY A 55 -3.739 -3.728 0.896 1.00 0.65 H new ATOM 0 HA2 GLY A 55 -6.420 -3.987 1.652 1.00 0.67 H new ATOM 0 HA3 GLY A 55 -6.279 -2.482 0.766 1.00 0.67 H new ATOM 833 N ARG A 56 -6.972 -4.101 -1.156 1.00 0.61 N ATOM 834 CA ARG A 56 -7.271 -4.897 -2.365 1.00 0.63 C ATOM 835 C ARG A 56 -7.344 -4.044 -3.638 1.00 0.61 C ATOM 836 O ARG A 56 -7.942 -2.974 -3.654 1.00 0.58 O ATOM 837 CB ARG A 56 -8.543 -5.731 -2.117 1.00 0.71 C ATOM 838 CG ARG A 56 -8.682 -6.960 -3.028 1.00 0.82 C ATOM 839 CD ARG A 56 -9.881 -7.848 -2.647 1.00 0.89 C ATOM 840 NE ARG A 56 -11.178 -7.299 -3.082 1.00 1.73 N ATOM 841 CZ ARG A 56 -12.012 -6.515 -2.423 1.00 2.69 C ATOM 842 NH1 ARG A 56 -11.812 -6.095 -1.208 1.00 3.68 N ATOM 843 NH2 ARG A 56 -13.099 -6.150 -3.030 1.00 3.82 N ATOM 0 H ARG A 56 -7.702 -3.424 -0.934 1.00 0.61 H new ATOM 0 HA ARG A 56 -6.442 -5.581 -2.549 1.00 0.63 H new ATOM 0 HB2 ARG A 56 -8.550 -6.061 -1.078 1.00 0.71 H new ATOM 0 HB3 ARG A 56 -9.415 -5.091 -2.254 1.00 0.71 H new ATOM 0 HG2 ARG A 56 -8.792 -6.631 -4.061 1.00 0.82 H new ATOM 0 HG3 ARG A 56 -7.767 -7.550 -2.977 1.00 0.82 H new ATOM 0 HD2 ARG A 56 -9.747 -8.836 -3.088 1.00 0.89 H new ATOM 0 HD3 ARG A 56 -9.896 -7.981 -1.565 1.00 0.89 H new ATOM 0 HE ARG A 56 -11.472 -7.561 -4.023 1.00 1.73 H new ATOM 0 HH11 ARG A 56 -10.968 -6.370 -0.706 1.00 3.68 H new ATOM 0 HH12 ARG A 56 -12.499 -5.490 -0.758 1.00 3.68 H new ATOM 0 HH21 ARG A 56 -13.283 -6.468 -3.981 1.00 3.82 H new ATOM 0 HH22 ARG A 56 -13.769 -5.545 -2.556 1.00 3.82 H new ATOM 857 N VAL A 57 -6.741 -4.527 -4.719 1.00 0.68 N ATOM 858 CA VAL A 57 -6.818 -3.981 -6.081 1.00 0.58 C ATOM 859 C VAL A 57 -8.095 -4.498 -6.731 1.00 0.58 C ATOM 860 O VAL A 57 -8.332 -5.707 -6.729 1.00 0.65 O ATOM 861 CB VAL A 57 -5.597 -4.433 -6.909 1.00 0.57 C ATOM 862 CG1 VAL A 57 -5.720 -4.082 -8.398 1.00 0.59 C ATOM 863 CG2 VAL A 57 -4.310 -3.800 -6.366 1.00 0.80 C ATOM 0 H VAL A 57 -6.150 -5.357 -4.672 1.00 0.68 H new ATOM 0 HA VAL A 57 -6.824 -2.892 -6.041 1.00 0.58 H new ATOM 0 HB VAL A 57 -5.560 -5.518 -6.817 1.00 0.57 H new ATOM 0 HG11 VAL A 57 -4.831 -4.425 -8.927 1.00 0.59 H new ATOM 0 HG12 VAL A 57 -6.601 -4.569 -8.815 1.00 0.59 H new ATOM 0 HG13 VAL A 57 -5.815 -3.002 -8.511 1.00 0.59 H new ATOM 0 HG21 VAL A 57 -3.461 -4.132 -6.964 1.00 0.80 H new ATOM 0 HG22 VAL A 57 -4.388 -2.714 -6.418 1.00 0.80 H new ATOM 0 HG23 VAL A 57 -4.164 -4.104 -5.329 1.00 0.80 H new ATOM 873 N ILE A 58 -8.893 -3.608 -7.322 1.00 0.56 N ATOM 874 CA ILE A 58 -10.152 -3.971 -8.002 1.00 0.63 C ATOM 875 C ILE A 58 -10.359 -3.184 -9.308 1.00 0.62 C ATOM 876 O ILE A 58 -11.483 -2.916 -9.725 1.00 0.71 O ATOM 877 CB ILE A 58 -11.353 -3.838 -7.027 1.00 0.72 C ATOM 878 CG1 ILE A 58 -11.305 -2.500 -6.256 1.00 0.69 C ATOM 879 CG2 ILE A 58 -11.400 -5.025 -6.047 1.00 0.84 C ATOM 880 CD1 ILE A 58 -12.613 -2.152 -5.536 1.00 0.85 C ATOM 0 H ILE A 58 -8.690 -2.609 -7.347 1.00 0.56 H new ATOM 0 HA ILE A 58 -10.083 -5.017 -8.300 1.00 0.63 H new ATOM 0 HB ILE A 58 -12.265 -3.849 -7.625 1.00 0.72 H new ATOM 0 HG12 ILE A 58 -10.499 -2.542 -5.524 1.00 0.69 H new ATOM 0 HG13 ILE A 58 -11.061 -1.698 -6.953 1.00 0.69 H new ATOM 0 HG21 ILE A 58 -12.250 -4.908 -5.375 1.00 0.84 H new ATOM 0 HG22 ILE A 58 -11.505 -5.955 -6.606 1.00 0.84 H new ATOM 0 HG23 ILE A 58 -10.479 -5.053 -5.465 1.00 0.84 H new ATOM 0 HD11 ILE A 58 -12.501 -1.200 -5.018 1.00 0.85 H new ATOM 0 HD12 ILE A 58 -13.420 -2.076 -6.264 1.00 0.85 H new ATOM 0 HD13 ILE A 58 -12.849 -2.933 -4.813 1.00 0.85 H new ATOM 892 N GLU A 59 -9.274 -2.888 -10.025 1.00 0.56 N ATOM 893 CA GLU A 59 -9.286 -2.350 -11.389 1.00 0.62 C ATOM 894 C GLU A 59 -7.881 -2.450 -11.997 1.00 0.63 C ATOM 895 O GLU A 59 -6.919 -2.018 -11.358 1.00 0.63 O ATOM 896 CB GLU A 59 -9.716 -0.870 -11.356 1.00 0.68 C ATOM 897 CG GLU A 59 -10.037 -0.264 -12.726 1.00 0.96 C ATOM 898 CD GLU A 59 -11.204 -0.967 -13.423 1.00 1.56 C ATOM 899 OE1 GLU A 59 -12.387 -0.683 -13.115 1.00 2.82 O ATOM 900 OE2 GLU A 59 -10.945 -1.815 -14.302 1.00 2.38 O ATOM 0 H GLU A 59 -8.330 -3.020 -9.661 1.00 0.56 H new ATOM 0 HA GLU A 59 -9.988 -2.925 -11.993 1.00 0.62 H new ATOM 0 HB2 GLU A 59 -10.594 -0.776 -10.718 1.00 0.68 H new ATOM 0 HB3 GLU A 59 -8.921 -0.285 -10.893 1.00 0.68 H new ATOM 0 HG2 GLU A 59 -10.275 0.793 -12.605 1.00 0.96 H new ATOM 0 HG3 GLU A 59 -9.152 -0.321 -13.360 1.00 0.96 H new ATOM 907 N GLY A 60 -7.761 -2.948 -13.231 1.00 0.73 N ATOM 908 CA GLY A 60 -6.507 -2.945 -13.989 1.00 0.82 C ATOM 909 C GLY A 60 -5.526 -4.088 -13.689 1.00 0.76 C ATOM 910 O GLY A 60 -5.832 -5.044 -12.977 1.00 0.79 O ATOM 0 H GLY A 60 -8.540 -3.369 -13.737 1.00 0.73 H new ATOM 0 HA2 GLY A 60 -6.750 -2.973 -15.051 1.00 0.82 H new ATOM 0 HA3 GLY A 60 -5.997 -2.000 -13.803 1.00 0.82 H new ATOM 914 N HIS A 61 -4.318 -3.959 -14.245 1.00 0.74 N ATOM 915 CA HIS A 61 -3.250 -4.966 -14.222 1.00 0.70 C ATOM 916 C HIS A 61 -1.851 -4.332 -14.102 1.00 0.68 C ATOM 917 O HIS A 61 -1.465 -3.477 -14.903 1.00 1.00 O ATOM 918 CB HIS A 61 -3.362 -5.895 -15.446 1.00 0.80 C ATOM 919 CG HIS A 61 -3.181 -5.281 -16.823 1.00 0.99 C ATOM 920 ND1 HIS A 61 -3.309 -3.956 -17.197 1.00 1.76 N ATOM 921 CD2 HIS A 61 -2.915 -5.985 -17.968 1.00 2.08 C ATOM 922 CE1 HIS A 61 -3.117 -3.868 -18.522 1.00 1.78 C ATOM 923 NE2 HIS A 61 -2.910 -5.088 -19.046 1.00 1.98 N ATOM 0 H HIS A 61 -4.045 -3.113 -14.746 1.00 0.74 H new ATOM 0 HA HIS A 61 -3.382 -5.572 -13.325 1.00 0.70 H new ATOM 0 HB2 HIS A 61 -2.622 -6.687 -15.333 1.00 0.80 H new ATOM 0 HB3 HIS A 61 -4.343 -6.369 -15.417 1.00 0.80 H new ATOM 0 HD2 HIS A 61 -2.739 -7.049 -18.030 1.00 2.08 H new ATOM 0 HE1 HIS A 61 -3.127 -2.948 -19.087 1.00 1.78 H new ATOM 0 HE2 HIS A 61 -2.776 -5.316 -20.031 1.00 1.98 H new ATOM 931 N SER A 62 -1.092 -4.723 -13.076 1.00 0.62 N ATOM 932 CA SER A 62 0.291 -4.265 -12.847 1.00 0.60 C ATOM 933 C SER A 62 1.165 -5.345 -12.210 1.00 0.59 C ATOM 934 O SER A 62 0.681 -6.417 -11.849 1.00 0.74 O ATOM 935 CB SER A 62 0.302 -2.984 -12.002 1.00 0.64 C ATOM 936 OG SER A 62 1.280 -2.085 -12.458 1.00 1.11 O ATOM 0 H SER A 62 -1.421 -5.377 -12.366 1.00 0.62 H new ATOM 0 HA SER A 62 0.722 -4.046 -13.824 1.00 0.60 H new ATOM 0 HB2 SER A 62 -0.679 -2.510 -12.042 1.00 0.64 H new ATOM 0 HB3 SER A 62 0.493 -3.235 -10.958 1.00 0.64 H new ATOM 0 HG SER A 62 0.906 -1.179 -12.481 1.00 1.11 H new ATOM 942 N MET A 63 2.446 -5.047 -12.028 1.00 0.56 N ATOM 943 CA MET A 63 3.435 -5.905 -11.384 1.00 0.56 C ATOM 944 C MET A 63 4.041 -5.191 -10.165 1.00 0.56 C ATOM 945 O MET A 63 4.384 -4.012 -10.223 1.00 0.66 O ATOM 946 CB MET A 63 4.465 -6.314 -12.443 1.00 0.62 C ATOM 947 CG MET A 63 5.387 -7.431 -11.959 1.00 0.75 C ATOM 948 SD MET A 63 6.241 -8.286 -13.312 1.00 0.90 S ATOM 949 CE MET A 63 4.920 -9.416 -13.828 1.00 1.09 C ATOM 0 H MET A 63 2.842 -4.160 -12.339 1.00 0.56 H new ATOM 0 HA MET A 63 2.985 -6.816 -10.991 1.00 0.56 H new ATOM 0 HB2 MET A 63 3.945 -6.640 -13.344 1.00 0.62 H new ATOM 0 HB3 MET A 63 5.064 -5.446 -12.717 1.00 0.62 H new ATOM 0 HG2 MET A 63 6.127 -7.013 -11.277 1.00 0.75 H new ATOM 0 HG3 MET A 63 4.803 -8.155 -11.391 1.00 0.75 H new ATOM 0 HE1 MET A 63 5.269 -10.028 -14.660 1.00 1.09 H new ATOM 0 HE2 MET A 63 4.646 -10.061 -12.993 1.00 1.09 H new ATOM 0 HE3 MET A 63 4.050 -8.839 -14.142 1.00 1.09 H new ATOM 959 N VAL A 64 4.137 -5.902 -9.041 1.00 0.53 N ATOM 960 CA VAL A 64 4.484 -5.347 -7.724 1.00 0.54 C ATOM 961 C VAL A 64 5.782 -5.951 -7.185 1.00 0.55 C ATOM 962 O VAL A 64 6.057 -7.138 -7.370 1.00 0.68 O ATOM 963 CB VAL A 64 3.305 -5.504 -6.737 1.00 0.61 C ATOM 964 CG1 VAL A 64 3.599 -4.944 -5.338 1.00 0.62 C ATOM 965 CG2 VAL A 64 2.060 -4.762 -7.250 1.00 0.70 C ATOM 0 H VAL A 64 3.972 -6.908 -9.017 1.00 0.53 H new ATOM 0 HA VAL A 64 4.668 -4.279 -7.841 1.00 0.54 H new ATOM 0 HB VAL A 64 3.141 -6.579 -6.668 1.00 0.61 H new ATOM 0 HG11 VAL A 64 2.728 -5.088 -4.698 1.00 0.62 H new ATOM 0 HG12 VAL A 64 4.455 -5.466 -4.910 1.00 0.62 H new ATOM 0 HG13 VAL A 64 3.823 -3.880 -5.412 1.00 0.62 H new ATOM 0 HG21 VAL A 64 1.243 -4.887 -6.539 1.00 0.70 H new ATOM 0 HG22 VAL A 64 2.288 -3.702 -7.359 1.00 0.70 H new ATOM 0 HG23 VAL A 64 1.765 -5.171 -8.216 1.00 0.70 H new ATOM 975 N ASP A 65 6.574 -5.123 -6.503 1.00 0.52 N ATOM 976 CA ASP A 65 7.826 -5.509 -5.838 1.00 0.55 C ATOM 977 C ASP A 65 7.654 -5.540 -4.305 1.00 0.55 C ATOM 978 O ASP A 65 7.917 -4.552 -3.614 1.00 0.79 O ATOM 979 CB ASP A 65 8.945 -4.562 -6.311 1.00 0.64 C ATOM 980 CG ASP A 65 10.339 -4.976 -5.832 1.00 0.78 C ATOM 981 OD1 ASP A 65 10.537 -6.157 -5.454 1.00 2.01 O ATOM 982 OD2 ASP A 65 11.261 -4.126 -5.903 1.00 1.80 O ATOM 0 H ASP A 65 6.358 -4.132 -6.393 1.00 0.52 H new ATOM 0 HA ASP A 65 8.107 -6.525 -6.115 1.00 0.55 H new ATOM 0 HB2 ASP A 65 8.941 -4.523 -7.400 1.00 0.64 H new ATOM 0 HB3 ASP A 65 8.732 -3.554 -5.955 1.00 0.64 H new ATOM 987 N GLU A 66 7.188 -6.672 -3.766 1.00 0.62 N ATOM 988 CA GLU A 66 6.906 -6.899 -2.333 1.00 0.62 C ATOM 989 C GLU A 66 8.136 -7.400 -1.530 1.00 0.58 C ATOM 990 O GLU A 66 8.020 -8.218 -0.608 1.00 0.72 O ATOM 991 CB GLU A 66 5.714 -7.862 -2.153 1.00 0.75 C ATOM 992 CG GLU A 66 4.425 -7.556 -2.929 1.00 1.06 C ATOM 993 CD GLU A 66 3.294 -8.532 -2.553 1.00 1.02 C ATOM 994 OE1 GLU A 66 3.107 -8.838 -1.350 1.00 1.89 O ATOM 995 OE2 GLU A 66 2.579 -9.033 -3.453 1.00 1.72 O ATOM 0 H GLU A 66 6.986 -7.494 -4.336 1.00 0.62 H new ATOM 0 HA GLU A 66 6.647 -5.924 -1.921 1.00 0.62 H new ATOM 0 HB2 GLU A 66 6.045 -8.862 -2.434 1.00 0.75 H new ATOM 0 HB3 GLU A 66 5.467 -7.895 -1.092 1.00 0.75 H new ATOM 0 HG2 GLU A 66 4.109 -6.534 -2.722 1.00 1.06 H new ATOM 0 HG3 GLU A 66 4.620 -7.619 -4.000 1.00 1.06 H new ATOM 1002 N SER A 67 9.338 -6.947 -1.894 1.00 0.79 N ATOM 1003 CA SER A 67 10.624 -7.485 -1.431 1.00 0.96 C ATOM 1004 C SER A 67 10.887 -7.469 0.080 1.00 0.85 C ATOM 1005 O SER A 67 11.528 -8.399 0.574 1.00 0.90 O ATOM 1006 CB SER A 67 11.760 -6.766 -2.169 1.00 1.42 C ATOM 1007 OG SER A 67 11.648 -5.353 -2.101 1.00 2.05 O ATOM 0 H SER A 67 9.449 -6.168 -2.542 1.00 0.79 H new ATOM 0 HA SER A 67 10.578 -8.548 -1.668 1.00 0.96 H new ATOM 0 HB2 SER A 67 12.716 -7.072 -1.743 1.00 1.42 H new ATOM 0 HB3 SER A 67 11.763 -7.076 -3.214 1.00 1.42 H new ATOM 0 HG SER A 67 12.395 -4.942 -2.584 1.00 2.05 H new ATOM 1013 N LEU A 68 10.411 -6.469 0.826 1.00 0.90 N ATOM 1014 CA LEU A 68 10.703 -6.288 2.257 1.00 0.92 C ATOM 1015 C LEU A 68 9.550 -6.801 3.136 1.00 0.91 C ATOM 1016 O LEU A 68 9.770 -7.566 4.076 1.00 0.96 O ATOM 1017 CB LEU A 68 11.038 -4.791 2.467 1.00 1.00 C ATOM 1018 CG LEU A 68 11.642 -4.329 3.811 1.00 1.00 C ATOM 1019 CD1 LEU A 68 10.684 -4.431 4.999 1.00 1.12 C ATOM 1020 CD2 LEU A 68 12.943 -5.048 4.166 1.00 0.84 C ATOM 0 H LEU A 68 9.799 -5.746 0.448 1.00 0.90 H new ATOM 0 HA LEU A 68 11.560 -6.886 2.568 1.00 0.92 H new ATOM 0 HB2 LEU A 68 11.732 -4.498 1.679 1.00 1.00 H new ATOM 0 HB3 LEU A 68 10.120 -4.225 2.310 1.00 1.00 H new ATOM 0 HG LEU A 68 11.852 -3.274 3.636 1.00 1.00 H new ATOM 0 HD11 LEU A 68 11.187 -4.087 5.903 1.00 1.12 H new ATOM 0 HD12 LEU A 68 9.807 -3.811 4.814 1.00 1.12 H new ATOM 0 HD13 LEU A 68 10.374 -5.468 5.128 1.00 1.12 H new ATOM 0 HD21 LEU A 68 13.315 -4.677 5.121 1.00 0.84 H new ATOM 0 HD22 LEU A 68 12.758 -6.120 4.240 1.00 0.84 H new ATOM 0 HD23 LEU A 68 13.686 -4.861 3.390 1.00 0.84 H new ATOM 1032 N ILE A 69 8.316 -6.401 2.810 1.00 0.98 N ATOM 1033 CA ILE A 69 7.113 -6.712 3.612 1.00 1.01 C ATOM 1034 C ILE A 69 6.785 -8.207 3.581 1.00 1.02 C ATOM 1035 O ILE A 69 6.503 -8.831 4.605 1.00 1.13 O ATOM 1036 CB ILE A 69 5.867 -5.960 3.094 1.00 1.07 C ATOM 1037 CG1 ILE A 69 6.118 -4.463 2.793 1.00 1.12 C ATOM 1038 CG2 ILE A 69 4.717 -6.161 4.105 1.00 1.11 C ATOM 1039 CD1 ILE A 69 6.277 -3.549 3.999 1.00 1.14 C ATOM 0 H ILE A 69 8.116 -5.848 1.977 1.00 0.98 H new ATOM 0 HA ILE A 69 7.348 -6.396 4.628 1.00 1.01 H new ATOM 0 HB ILE A 69 5.595 -6.386 2.128 1.00 1.07 H new ATOM 0 HG12 ILE A 69 7.018 -4.383 2.183 1.00 1.12 H new ATOM 0 HG13 ILE A 69 5.289 -4.092 2.190 1.00 1.12 H new ATOM 0 HG21 ILE A 69 3.828 -5.636 3.754 1.00 1.11 H new ATOM 0 HG22 ILE A 69 4.497 -7.224 4.199 1.00 1.11 H new ATOM 0 HG23 ILE A 69 5.013 -5.765 5.076 1.00 1.11 H new ATOM 0 HD11 ILE A 69 6.448 -2.527 3.661 1.00 1.14 H new ATOM 0 HD12 ILE A 69 5.371 -3.584 4.604 1.00 1.14 H new ATOM 0 HD13 ILE A 69 7.126 -3.880 4.597 1.00 1.14 H new ATOM 1051 N THR A 70 6.771 -8.747 2.366 1.00 1.05 N ATOM 1052 CA THR A 70 6.274 -10.085 2.050 1.00 1.20 C ATOM 1053 C THR A 70 7.436 -11.070 1.886 1.00 1.22 C ATOM 1054 O THR A 70 7.323 -12.229 2.285 1.00 1.37 O ATOM 1055 CB THR A 70 5.419 -9.951 0.780 1.00 1.39 C ATOM 1056 OG1 THR A 70 4.379 -9.005 0.979 1.00 2.71 O ATOM 1057 CG2 THR A 70 4.715 -11.216 0.362 1.00 1.63 C ATOM 0 H THR A 70 7.117 -8.249 1.546 1.00 1.05 H new ATOM 0 HA THR A 70 5.664 -10.490 2.857 1.00 1.20 H new ATOM 0 HB THR A 70 6.136 -9.661 0.012 1.00 1.39 H new ATOM 0 HG1 THR A 70 3.794 -8.991 0.193 1.00 2.71 H new ATOM 0 HG21 THR A 70 4.136 -11.028 -0.542 1.00 1.63 H new ATOM 0 HG22 THR A 70 5.452 -11.995 0.166 1.00 1.63 H new ATOM 0 HG23 THR A 70 4.047 -11.541 1.160 1.00 1.63 H new ATOM 1065 N GLY A 71 8.583 -10.595 1.381 1.00 1.17 N ATOM 1066 CA GLY A 71 9.847 -11.345 1.326 1.00 1.18 C ATOM 1067 C GLY A 71 10.122 -12.082 0.009 1.00 1.11 C ATOM 1068 O GLY A 71 11.112 -12.811 -0.081 1.00 1.22 O ATOM 0 H GLY A 71 8.660 -9.656 0.990 1.00 1.17 H new ATOM 0 HA2 GLY A 71 10.668 -10.653 1.513 1.00 1.18 H new ATOM 0 HA3 GLY A 71 9.853 -12.073 2.137 1.00 1.18 H new ATOM 1072 N GLU A 72 9.263 -11.895 -1.001 1.00 1.02 N ATOM 1073 CA GLU A 72 9.371 -12.523 -2.332 1.00 0.98 C ATOM 1074 C GLU A 72 10.697 -12.157 -3.026 1.00 1.03 C ATOM 1075 O GLU A 72 11.440 -13.047 -3.447 1.00 2.13 O ATOM 1076 CB GLU A 72 8.175 -12.110 -3.215 1.00 1.02 C ATOM 1077 CG GLU A 72 6.811 -12.625 -2.729 1.00 1.04 C ATOM 1078 CD GLU A 72 6.610 -14.123 -2.996 1.00 1.29 C ATOM 1079 OE1 GLU A 72 7.180 -14.962 -2.254 1.00 1.56 O ATOM 1080 OE2 GLU A 72 5.844 -14.486 -3.918 1.00 2.65 O ATOM 0 H GLU A 72 8.449 -11.286 -0.916 1.00 1.02 H new ATOM 0 HA GLU A 72 9.357 -13.604 -2.192 1.00 0.98 H new ATOM 0 HB2 GLU A 72 8.139 -11.022 -3.269 1.00 1.02 H new ATOM 0 HB3 GLU A 72 8.346 -12.474 -4.228 1.00 1.02 H new ATOM 0 HG2 GLU A 72 6.716 -12.436 -1.660 1.00 1.04 H new ATOM 0 HG3 GLU A 72 6.019 -12.063 -3.224 1.00 1.04 H new ATOM 1087 N ALA A 73 11.022 -10.860 -3.094 1.00 1.57 N ATOM 1088 CA ALA A 73 12.271 -10.312 -3.642 1.00 1.67 C ATOM 1089 C ALA A 73 12.456 -10.629 -5.137 1.00 1.29 C ATOM 1090 O ALA A 73 13.561 -10.888 -5.626 1.00 1.36 O ATOM 1091 CB ALA A 73 13.448 -10.656 -2.725 1.00 2.31 C ATOM 0 H ALA A 73 10.395 -10.131 -2.754 1.00 1.57 H new ATOM 0 HA ALA A 73 12.218 -9.223 -3.643 1.00 1.67 H new ATOM 0 HB1 ALA A 73 14.367 -10.244 -3.142 1.00 2.31 H new ATOM 0 HB2 ALA A 73 13.276 -10.230 -1.737 1.00 2.31 H new ATOM 0 HB3 ALA A 73 13.540 -11.739 -2.642 1.00 2.31 H new ATOM 1097 N MET A 74 11.315 -10.619 -5.823 1.00 1.33 N ATOM 1098 CA MET A 74 11.076 -10.840 -7.242 1.00 1.10 C ATOM 1099 C MET A 74 9.773 -10.113 -7.655 1.00 1.01 C ATOM 1100 O MET A 74 8.904 -9.907 -6.800 1.00 1.38 O ATOM 1101 CB MET A 74 10.971 -12.346 -7.522 1.00 1.22 C ATOM 1102 CG MET A 74 9.882 -13.085 -6.735 1.00 2.35 C ATOM 1103 SD MET A 74 9.722 -14.834 -7.182 1.00 2.82 S ATOM 1104 CE MET A 74 8.485 -15.335 -5.956 1.00 4.90 C ATOM 0 H MET A 74 10.437 -10.434 -5.338 1.00 1.33 H new ATOM 0 HA MET A 74 11.905 -10.440 -7.826 1.00 1.10 H new ATOM 0 HB2 MET A 74 10.787 -12.489 -8.587 1.00 1.22 H new ATOM 0 HB3 MET A 74 11.933 -12.808 -7.300 1.00 1.22 H new ATOM 0 HG2 MET A 74 10.101 -13.010 -5.670 1.00 2.35 H new ATOM 0 HG3 MET A 74 8.926 -12.588 -6.900 1.00 2.35 H new ATOM 0 HE1 MET A 74 8.259 -16.394 -6.079 1.00 4.90 H new ATOM 0 HE2 MET A 74 8.876 -15.162 -4.953 1.00 4.90 H new ATOM 0 HE3 MET A 74 7.576 -14.751 -6.097 1.00 4.90 H new ATOM 1114 N PRO A 75 9.597 -9.727 -8.929 1.00 0.91 N ATOM 1115 CA PRO A 75 8.345 -9.154 -9.436 1.00 1.19 C ATOM 1116 C PRO A 75 7.151 -10.134 -9.386 1.00 0.94 C ATOM 1117 O PRO A 75 7.297 -11.296 -9.786 1.00 0.90 O ATOM 1118 CB PRO A 75 8.660 -8.731 -10.877 1.00 1.71 C ATOM 1119 CG PRO A 75 10.179 -8.584 -10.925 1.00 1.61 C ATOM 1120 CD PRO A 75 10.666 -9.607 -9.909 1.00 1.10 C ATOM 0 HA PRO A 75 8.026 -8.320 -8.811 1.00 1.19 H new ATOM 0 HB2 PRO A 75 8.313 -9.477 -11.592 1.00 1.71 H new ATOM 0 HB3 PRO A 75 8.165 -7.793 -11.130 1.00 1.71 H new ATOM 0 HG2 PRO A 75 10.571 -8.789 -11.921 1.00 1.61 H new ATOM 0 HG3 PRO A 75 10.493 -7.574 -10.661 1.00 1.61 H new ATOM 0 HD2 PRO A 75 10.870 -10.566 -10.386 1.00 1.10 H new ATOM 0 HD3 PRO A 75 11.594 -9.281 -9.439 1.00 1.10 H new ATOM 1128 N VAL A 76 5.967 -9.668 -8.954 1.00 0.95 N ATOM 1129 CA VAL A 76 4.710 -10.458 -8.862 1.00 0.94 C ATOM 1130 C VAL A 76 3.522 -9.729 -9.514 1.00 0.75 C ATOM 1131 O VAL A 76 3.277 -8.561 -9.221 1.00 0.66 O ATOM 1132 CB VAL A 76 4.384 -10.817 -7.393 1.00 1.11 C ATOM 1133 CG1 VAL A 76 3.116 -11.677 -7.281 1.00 1.17 C ATOM 1134 CG2 VAL A 76 5.525 -11.604 -6.730 1.00 1.36 C ATOM 0 H VAL A 76 5.846 -8.703 -8.648 1.00 0.95 H new ATOM 0 HA VAL A 76 4.875 -11.382 -9.417 1.00 0.94 H new ATOM 0 HB VAL A 76 4.239 -9.863 -6.887 1.00 1.11 H new ATOM 0 HG11 VAL A 76 2.923 -11.906 -6.233 1.00 1.17 H new ATOM 0 HG12 VAL A 76 2.268 -11.131 -7.695 1.00 1.17 H new ATOM 0 HG13 VAL A 76 3.255 -12.605 -7.836 1.00 1.17 H new ATOM 0 HG21 VAL A 76 5.256 -11.836 -5.700 1.00 1.36 H new ATOM 0 HG22 VAL A 76 5.695 -12.531 -7.278 1.00 1.36 H new ATOM 0 HG23 VAL A 76 6.435 -11.004 -6.741 1.00 1.36 H new ATOM 1144 N ALA A 77 2.771 -10.400 -10.394 1.00 0.77 N ATOM 1145 CA ALA A 77 1.639 -9.804 -11.118 1.00 0.66 C ATOM 1146 C ALA A 77 0.339 -9.713 -10.289 1.00 0.63 C ATOM 1147 O ALA A 77 0.042 -10.580 -9.465 1.00 0.71 O ATOM 1148 CB ALA A 77 1.409 -10.557 -12.433 1.00 0.78 C ATOM 0 H ALA A 77 2.932 -11.380 -10.627 1.00 0.77 H new ATOM 0 HA ALA A 77 1.913 -8.770 -11.329 1.00 0.66 H new ATOM 0 HB1 ALA A 77 0.569 -10.111 -12.965 1.00 0.78 H new ATOM 0 HB2 ALA A 77 2.305 -10.493 -13.050 1.00 0.78 H new ATOM 0 HB3 ALA A 77 1.189 -11.603 -12.220 1.00 0.78 H new ATOM 1154 N LYS A 78 -0.444 -8.656 -10.540 1.00 0.63 N ATOM 1155 CA LYS A 78 -1.770 -8.377 -9.955 1.00 0.70 C ATOM 1156 C LYS A 78 -2.822 -8.148 -11.050 1.00 0.75 C ATOM 1157 O LYS A 78 -2.507 -7.641 -12.131 1.00 0.77 O ATOM 1158 CB LYS A 78 -1.700 -7.149 -9.019 1.00 0.72 C ATOM 1159 CG LYS A 78 -0.611 -7.183 -7.929 1.00 0.69 C ATOM 1160 CD LYS A 78 -0.824 -8.254 -6.849 1.00 0.73 C ATOM 1161 CE LYS A 78 0.379 -8.307 -5.898 1.00 0.75 C ATOM 1162 NZ LYS A 78 0.140 -9.212 -4.749 1.00 0.82 N ATOM 0 H LYS A 78 -0.156 -7.928 -11.194 1.00 0.63 H new ATOM 0 HA LYS A 78 -2.069 -9.249 -9.373 1.00 0.70 H new ATOM 0 HB2 LYS A 78 -1.544 -6.261 -9.631 1.00 0.72 H new ATOM 0 HB3 LYS A 78 -2.668 -7.034 -8.532 1.00 0.72 H new ATOM 0 HG2 LYS A 78 0.356 -7.351 -8.404 1.00 0.69 H new ATOM 0 HG3 LYS A 78 -0.564 -6.205 -7.449 1.00 0.69 H new ATOM 0 HD2 LYS A 78 -1.731 -8.035 -6.285 1.00 0.73 H new ATOM 0 HD3 LYS A 78 -0.967 -9.228 -7.318 1.00 0.73 H new ATOM 0 HE2 LYS A 78 1.260 -8.642 -6.446 1.00 0.75 H new ATOM 0 HE3 LYS A 78 0.595 -7.304 -5.530 1.00 0.75 H new ATOM 0 HZ1 LYS A 78 1.028 -9.351 -4.226 1.00 0.82 H new ATOM 0 HZ2 LYS A 78 -0.571 -8.791 -4.118 1.00 0.82 H new ATOM 0 HZ3 LYS A 78 -0.205 -10.130 -5.096 1.00 0.82 H new ATOM 1176 N LYS A 79 -4.085 -8.447 -10.738 1.00 0.79 N ATOM 1177 CA LYS A 79 -5.320 -8.159 -11.502 1.00 0.69 C ATOM 1178 C LYS A 79 -6.428 -7.782 -10.486 1.00 0.69 C ATOM 1179 O LYS A 79 -6.127 -7.735 -9.289 1.00 0.71 O ATOM 1180 CB LYS A 79 -5.695 -9.403 -12.349 1.00 0.86 C ATOM 1181 CG LYS A 79 -5.712 -9.102 -13.859 1.00 2.77 C ATOM 1182 CD LYS A 79 -6.435 -10.182 -14.677 1.00 3.19 C ATOM 1183 CE LYS A 79 -5.762 -11.556 -14.571 1.00 2.27 C ATOM 1184 NZ LYS A 79 -6.502 -12.582 -15.345 1.00 2.79 N ATOM 0 H LYS A 79 -4.298 -8.940 -9.871 1.00 0.79 H new ATOM 0 HA LYS A 79 -5.185 -7.327 -12.193 1.00 0.69 H new ATOM 0 HB2 LYS A 79 -4.983 -10.203 -12.149 1.00 0.86 H new ATOM 0 HB3 LYS A 79 -6.676 -9.765 -12.043 1.00 0.86 H new ATOM 0 HG2 LYS A 79 -6.198 -8.141 -14.027 1.00 2.77 H new ATOM 0 HG3 LYS A 79 -4.687 -9.008 -14.217 1.00 2.77 H new ATOM 0 HD2 LYS A 79 -7.467 -10.260 -14.335 1.00 3.19 H new ATOM 0 HD3 LYS A 79 -6.468 -9.878 -15.723 1.00 3.19 H new ATOM 0 HE2 LYS A 79 -4.738 -11.490 -14.937 1.00 2.27 H new ATOM 0 HE3 LYS A 79 -5.708 -11.856 -13.525 1.00 2.27 H new ATOM 0 HZ1 LYS A 79 -6.022 -13.500 -15.253 1.00 2.79 H new ATOM 0 HZ2 LYS A 79 -7.472 -12.661 -14.978 1.00 2.79 H new ATOM 0 HZ3 LYS A 79 -6.532 -12.306 -16.347 1.00 2.79 H new ATOM 1198 N PRO A 80 -7.697 -7.533 -10.868 1.00 0.80 N ATOM 1199 CA PRO A 80 -8.761 -7.278 -9.895 1.00 0.88 C ATOM 1200 C PRO A 80 -9.016 -8.441 -8.926 1.00 0.96 C ATOM 1201 O PRO A 80 -8.857 -9.623 -9.252 1.00 1.21 O ATOM 1202 CB PRO A 80 -10.015 -6.944 -10.694 1.00 1.08 C ATOM 1203 CG PRO A 80 -9.440 -6.422 -12.000 1.00 1.27 C ATOM 1204 CD PRO A 80 -8.210 -7.304 -12.207 1.00 0.89 C ATOM 0 HA PRO A 80 -8.458 -6.454 -9.250 1.00 0.88 H new ATOM 0 HB2 PRO A 80 -10.644 -7.821 -10.849 1.00 1.08 H new ATOM 0 HB3 PRO A 80 -10.629 -6.196 -10.193 1.00 1.08 H new ATOM 0 HG2 PRO A 80 -10.150 -6.519 -12.821 1.00 1.27 H new ATOM 0 HG3 PRO A 80 -9.174 -5.367 -11.932 1.00 1.27 H new ATOM 0 HD2 PRO A 80 -8.472 -8.242 -12.697 1.00 0.89 H new ATOM 0 HD3 PRO A 80 -7.469 -6.811 -12.837 1.00 0.89 H new ATOM 1212 N GLY A 81 -9.435 -8.077 -7.719 1.00 0.87 N ATOM 1213 CA GLY A 81 -9.602 -8.985 -6.577 1.00 1.02 C ATOM 1214 C GLY A 81 -8.285 -9.476 -5.957 1.00 1.01 C ATOM 1215 O GLY A 81 -8.251 -10.558 -5.364 1.00 1.34 O ATOM 0 H GLY A 81 -9.677 -7.112 -7.496 1.00 0.87 H new ATOM 0 HA2 GLY A 81 -10.184 -8.478 -5.808 1.00 1.02 H new ATOM 0 HA3 GLY A 81 -10.183 -9.850 -6.898 1.00 1.02 H new ATOM 1219 N SER A 82 -7.189 -8.722 -6.094 1.00 0.74 N ATOM 1220 CA SER A 82 -5.838 -9.128 -5.652 1.00 0.62 C ATOM 1221 C SER A 82 -5.334 -8.224 -4.527 1.00 0.59 C ATOM 1222 O SER A 82 -5.689 -7.050 -4.497 1.00 0.79 O ATOM 1223 CB SER A 82 -4.870 -9.084 -6.835 1.00 0.60 C ATOM 1224 OG SER A 82 -3.670 -9.737 -6.491 1.00 1.57 O ATOM 0 H SER A 82 -7.209 -7.796 -6.521 1.00 0.74 H new ATOM 0 HA SER A 82 -5.894 -10.147 -5.269 1.00 0.62 H new ATOM 0 HB2 SER A 82 -5.320 -9.564 -7.704 1.00 0.60 H new ATOM 0 HB3 SER A 82 -4.666 -8.050 -7.112 1.00 0.60 H new ATOM 0 HG SER A 82 -3.118 -9.850 -7.293 1.00 1.57 H new ATOM 1230 N THR A 83 -4.532 -8.715 -3.580 1.00 0.61 N ATOM 1231 CA THR A 83 -4.121 -7.941 -2.392 1.00 0.62 C ATOM 1232 C THR A 83 -2.727 -7.323 -2.525 1.00 0.54 C ATOM 1233 O THR A 83 -1.832 -7.871 -3.175 1.00 0.54 O ATOM 1234 CB THR A 83 -4.234 -8.781 -1.110 1.00 0.78 C ATOM 1235 OG1 THR A 83 -3.656 -10.051 -1.307 1.00 0.73 O ATOM 1236 CG2 THR A 83 -5.696 -8.998 -0.724 1.00 1.00 C ATOM 0 H THR A 83 -4.146 -9.659 -3.609 1.00 0.61 H new ATOM 0 HA THR A 83 -4.819 -7.107 -2.320 1.00 0.62 H new ATOM 0 HB THR A 83 -3.716 -8.237 -0.320 1.00 0.78 H new ATOM 0 HG1 THR A 83 -3.732 -10.576 -0.483 1.00 0.73 H new ATOM 0 HG21 THR A 83 -5.747 -9.595 0.186 1.00 1.00 H new ATOM 0 HG22 THR A 83 -6.174 -8.034 -0.553 1.00 1.00 H new ATOM 0 HG23 THR A 83 -6.211 -9.520 -1.530 1.00 1.00 H new ATOM 1244 N VAL A 84 -2.550 -6.155 -1.902 1.00 0.55 N ATOM 1245 CA VAL A 84 -1.308 -5.364 -1.864 1.00 0.55 C ATOM 1246 C VAL A 84 -1.056 -4.796 -0.461 1.00 0.60 C ATOM 1247 O VAL A 84 -1.917 -4.858 0.420 1.00 0.60 O ATOM 1248 CB VAL A 84 -1.315 -4.235 -2.922 1.00 0.56 C ATOM 1249 CG1 VAL A 84 -1.290 -4.798 -4.349 1.00 0.53 C ATOM 1250 CG2 VAL A 84 -2.507 -3.278 -2.780 1.00 0.61 C ATOM 0 H VAL A 84 -3.306 -5.709 -1.382 1.00 0.55 H new ATOM 0 HA VAL A 84 -0.488 -6.039 -2.110 1.00 0.55 H new ATOM 0 HB VAL A 84 -0.405 -3.665 -2.737 1.00 0.56 H new ATOM 0 HG11 VAL A 84 -1.296 -3.976 -5.065 1.00 0.53 H new ATOM 0 HG12 VAL A 84 -0.389 -5.395 -4.489 1.00 0.53 H new ATOM 0 HG13 VAL A 84 -2.168 -5.424 -4.509 1.00 0.53 H new ATOM 0 HG21 VAL A 84 -2.451 -2.511 -3.552 1.00 0.61 H new ATOM 0 HG22 VAL A 84 -3.437 -3.836 -2.890 1.00 0.61 H new ATOM 0 HG23 VAL A 84 -2.480 -2.807 -1.797 1.00 0.61 H new ATOM 1260 N ILE A 85 0.144 -4.256 -0.239 1.00 0.77 N ATOM 1261 CA ILE A 85 0.610 -3.714 1.044 1.00 0.81 C ATOM 1262 C ILE A 85 1.413 -2.422 0.854 1.00 0.84 C ATOM 1263 O ILE A 85 2.002 -2.194 -0.204 1.00 1.08 O ATOM 1264 CB ILE A 85 1.441 -4.747 1.839 1.00 0.81 C ATOM 1265 CG1 ILE A 85 2.841 -5.021 1.261 1.00 1.55 C ATOM 1266 CG2 ILE A 85 0.700 -6.064 2.093 1.00 1.09 C ATOM 1267 CD1 ILE A 85 2.978 -5.485 -0.184 1.00 0.70 C ATOM 0 H ILE A 85 0.847 -4.180 -0.975 1.00 0.77 H new ATOM 0 HA ILE A 85 -0.283 -3.481 1.624 1.00 0.81 H new ATOM 0 HB ILE A 85 1.589 -4.256 2.801 1.00 0.81 H new ATOM 0 HG12 ILE A 85 3.423 -4.105 1.367 1.00 1.55 H new ATOM 0 HG13 ILE A 85 3.313 -5.774 1.892 1.00 1.55 H new ATOM 0 HG21 ILE A 85 1.343 -6.741 2.655 1.00 1.09 H new ATOM 0 HG22 ILE A 85 -0.207 -5.867 2.664 1.00 1.09 H new ATOM 0 HG23 ILE A 85 0.436 -6.523 1.140 1.00 1.09 H new ATOM 0 HD11 ILE A 85 4.032 -5.629 -0.422 1.00 0.70 H new ATOM 0 HD12 ILE A 85 2.444 -6.426 -0.316 1.00 0.70 H new ATOM 0 HD13 ILE A 85 2.556 -4.732 -0.850 1.00 0.70 H new ATOM 1279 N ALA A 86 1.472 -1.590 1.896 1.00 0.82 N ATOM 1280 CA ALA A 86 2.161 -0.305 1.841 1.00 0.86 C ATOM 1281 C ALA A 86 3.690 -0.416 1.679 1.00 0.85 C ATOM 1282 O ALA A 86 4.305 -1.439 1.980 1.00 0.88 O ATOM 1283 CB ALA A 86 1.766 0.535 3.056 1.00 1.02 C ATOM 0 H ALA A 86 1.043 -1.790 2.799 1.00 0.82 H new ATOM 0 HA ALA A 86 1.834 0.199 0.932 1.00 0.86 H new ATOM 0 HB1 ALA A 86 2.280 1.496 3.017 1.00 1.02 H new ATOM 0 HB2 ALA A 86 0.688 0.699 3.050 1.00 1.02 H new ATOM 0 HB3 ALA A 86 2.048 0.010 3.969 1.00 1.02 H new ATOM 1289 N GLY A 87 4.313 0.649 1.168 1.00 0.87 N ATOM 1290 CA GLY A 87 5.772 0.760 1.020 1.00 0.89 C ATOM 1291 C GLY A 87 6.377 -0.079 -0.112 1.00 0.88 C ATOM 1292 O GLY A 87 7.557 0.074 -0.426 1.00 0.99 O ATOM 0 H GLY A 87 3.812 1.474 0.839 1.00 0.87 H new ATOM 0 HA2 GLY A 87 6.026 1.806 0.851 1.00 0.89 H new ATOM 0 HA3 GLY A 87 6.240 0.466 1.959 1.00 0.89 H new ATOM 1296 N SER A 88 5.576 -0.931 -0.754 1.00 0.81 N ATOM 1297 CA SER A 88 5.951 -1.688 -1.953 1.00 0.75 C ATOM 1298 C SER A 88 5.588 -0.900 -3.219 1.00 0.52 C ATOM 1299 O SER A 88 4.731 -0.009 -3.177 1.00 0.49 O ATOM 1300 CB SER A 88 5.304 -3.073 -1.914 1.00 0.87 C ATOM 1301 OG SER A 88 5.705 -3.723 -0.719 1.00 2.73 O ATOM 0 H SER A 88 4.622 -1.120 -0.447 1.00 0.81 H new ATOM 0 HA SER A 88 7.031 -1.834 -1.974 1.00 0.75 H new ATOM 0 HB2 SER A 88 4.218 -2.985 -1.951 1.00 0.87 H new ATOM 0 HB3 SER A 88 5.607 -3.657 -2.783 1.00 0.87 H new ATOM 0 HG SER A 88 5.066 -3.517 -0.005 1.00 2.73 H new ATOM 1307 N ILE A 89 6.261 -1.202 -4.333 1.00 0.51 N ATOM 1308 CA ILE A 89 6.206 -0.403 -5.569 1.00 0.54 C ATOM 1309 C ILE A 89 5.299 -1.059 -6.620 1.00 0.54 C ATOM 1310 O ILE A 89 5.330 -2.279 -6.775 1.00 0.64 O ATOM 1311 CB ILE A 89 7.620 -0.152 -6.159 1.00 0.80 C ATOM 1312 CG1 ILE A 89 8.797 -0.149 -5.151 1.00 0.96 C ATOM 1313 CG2 ILE A 89 7.606 1.163 -6.962 1.00 0.99 C ATOM 1314 CD1 ILE A 89 8.761 0.950 -4.083 1.00 1.07 C ATOM 0 H ILE A 89 6.868 -2.018 -4.407 1.00 0.51 H new ATOM 0 HA ILE A 89 5.779 0.563 -5.300 1.00 0.54 H new ATOM 0 HB ILE A 89 7.820 -1.016 -6.793 1.00 0.80 H new ATOM 0 HG12 ILE A 89 8.822 -1.116 -4.649 1.00 0.96 H new ATOM 0 HG13 ILE A 89 9.728 -0.055 -5.710 1.00 0.96 H new ATOM 0 HG21 ILE A 89 8.596 1.345 -7.379 1.00 0.99 H new ATOM 0 HG22 ILE A 89 6.880 1.087 -7.771 1.00 0.99 H new ATOM 0 HG23 ILE A 89 7.332 1.988 -6.304 1.00 0.99 H new ATOM 0 HD11 ILE A 89 9.632 0.855 -3.434 1.00 1.07 H new ATOM 0 HD12 ILE A 89 8.773 1.927 -4.566 1.00 1.07 H new ATOM 0 HD13 ILE A 89 7.853 0.850 -3.489 1.00 1.07 H new ATOM 1326 N ASN A 90 4.536 -0.249 -7.359 1.00 0.60 N ATOM 1327 CA ASN A 90 3.699 -0.636 -8.499 1.00 0.69 C ATOM 1328 C ASN A 90 4.388 -0.280 -9.831 1.00 0.85 C ATOM 1329 O ASN A 90 4.895 0.833 -9.970 1.00 1.04 O ATOM 1330 CB ASN A 90 2.359 0.107 -8.352 1.00 0.79 C ATOM 1331 CG ASN A 90 1.360 -0.292 -9.403 1.00 1.00 C ATOM 1332 OD1 ASN A 90 0.754 -1.343 -9.334 1.00 1.94 O ATOM 1333 ND2 ASN A 90 1.146 0.529 -10.396 1.00 0.56 N ATOM 0 H ASN A 90 4.483 0.751 -7.167 1.00 0.60 H new ATOM 0 HA ASN A 90 3.537 -1.714 -8.509 1.00 0.69 H new ATOM 0 HB2 ASN A 90 1.943 -0.094 -7.365 1.00 0.79 H new ATOM 0 HB3 ASN A 90 2.535 1.181 -8.412 1.00 0.79 H new ATOM 0 HD21 ASN A 90 0.467 0.289 -11.119 1.00 0.56 H new ATOM 0 HD22 ASN A 90 1.658 1.410 -10.449 1.00 0.56 H new ATOM 1340 N GLN A 91 4.382 -1.172 -10.827 1.00 0.89 N ATOM 1341 CA GLN A 91 5.101 -1.018 -12.096 1.00 1.00 C ATOM 1342 C GLN A 91 4.414 -1.814 -13.225 1.00 1.65 C ATOM 1343 O GLN A 91 4.013 -2.950 -13.014 1.00 3.22 O ATOM 1344 CB GLN A 91 6.546 -1.519 -11.875 1.00 1.07 C ATOM 1345 CG GLN A 91 7.566 -1.036 -12.917 1.00 1.48 C ATOM 1346 CD GLN A 91 7.770 0.471 -12.839 1.00 2.21 C ATOM 1347 OE1 GLN A 91 8.474 0.999 -11.986 1.00 2.96 O ATOM 1348 NE2 GLN A 91 7.131 1.226 -13.700 1.00 3.04 N ATOM 0 H GLN A 91 3.861 -2.047 -10.771 1.00 0.89 H new ATOM 0 HA GLN A 91 5.101 0.028 -12.402 1.00 1.00 H new ATOM 0 HB2 GLN A 91 6.879 -1.199 -10.887 1.00 1.07 H new ATOM 0 HB3 GLN A 91 6.540 -2.609 -11.872 1.00 1.07 H new ATOM 0 HG2 GLN A 91 8.518 -1.542 -12.758 1.00 1.48 H new ATOM 0 HG3 GLN A 91 7.224 -1.307 -13.916 1.00 1.48 H new ATOM 0 HE21 GLN A 91 6.542 0.798 -14.415 1.00 3.04 H new ATOM 0 HE22 GLN A 91 7.223 2.241 -13.655 1.00 3.04 H new ATOM 1357 N ASN A 92 4.345 -1.259 -14.440 1.00 1.13 N ATOM 1358 CA ASN A 92 3.805 -1.825 -15.696 1.00 1.80 C ATOM 1359 C ASN A 92 2.348 -1.462 -16.054 1.00 1.79 C ATOM 1360 O ASN A 92 1.999 -1.515 -17.234 1.00 2.78 O ATOM 1361 CB ASN A 92 4.151 -3.319 -15.877 1.00 2.51 C ATOM 1362 CG ASN A 92 4.018 -3.751 -17.324 1.00 3.27 C ATOM 1363 OD1 ASN A 92 4.887 -3.484 -18.144 1.00 3.86 O ATOM 1364 ND2 ASN A 92 2.925 -4.376 -17.692 1.00 3.49 N ATOM 0 H ASN A 92 4.697 -0.314 -14.590 1.00 1.13 H new ATOM 0 HA ASN A 92 4.353 -1.285 -16.468 1.00 1.80 H new ATOM 0 HB2 ASN A 92 5.170 -3.501 -15.534 1.00 2.51 H new ATOM 0 HB3 ASN A 92 3.492 -3.924 -15.254 1.00 2.51 H new ATOM 0 HD21 ASN A 92 2.794 -4.643 -18.668 1.00 3.49 H new ATOM 0 HD22 ASN A 92 2.206 -4.595 -17.003 1.00 3.49 H new ATOM 1371 N GLY A 93 1.519 -0.982 -15.126 1.00 1.28 N ATOM 1372 CA GLY A 93 0.182 -0.457 -15.445 1.00 1.36 C ATOM 1373 C GLY A 93 -0.520 0.261 -14.279 1.00 1.25 C ATOM 1374 O GLY A 93 -0.123 0.115 -13.117 1.00 1.86 O ATOM 0 H GLY A 93 1.751 -0.944 -14.133 1.00 1.28 H new ATOM 0 HA2 GLY A 93 0.269 0.236 -16.282 1.00 1.36 H new ATOM 0 HA3 GLY A 93 -0.448 -1.282 -15.778 1.00 1.36 H new ATOM 1378 N SER A 94 -1.541 1.069 -14.590 1.00 1.10 N ATOM 1379 CA SER A 94 -2.307 1.856 -13.606 1.00 0.98 C ATOM 1380 C SER A 94 -3.489 1.082 -13.010 1.00 0.90 C ATOM 1381 O SER A 94 -4.278 0.483 -13.752 1.00 1.11 O ATOM 1382 CB SER A 94 -2.843 3.158 -14.211 1.00 1.12 C ATOM 1383 OG SER A 94 -1.797 4.018 -14.614 1.00 1.91 O ATOM 0 H SER A 94 -1.866 1.199 -15.548 1.00 1.10 H new ATOM 0 HA SER A 94 -1.597 2.079 -12.810 1.00 0.98 H new ATOM 0 HB2 SER A 94 -3.475 2.927 -15.069 1.00 1.12 H new ATOM 0 HB3 SER A 94 -3.471 3.667 -13.480 1.00 1.12 H new ATOM 0 HG SER A 94 -2.176 4.837 -14.996 1.00 1.91 H new ATOM 1389 N LEU A 95 -3.638 1.141 -11.681 1.00 0.74 N ATOM 1390 CA LEU A 95 -4.636 0.402 -10.888 1.00 0.64 C ATOM 1391 C LEU A 95 -5.435 1.311 -9.938 1.00 0.60 C ATOM 1392 O LEU A 95 -4.980 2.400 -9.575 1.00 0.67 O ATOM 1393 CB LEU A 95 -3.923 -0.629 -9.990 1.00 0.56 C ATOM 1394 CG LEU A 95 -2.952 -1.629 -10.611 1.00 0.76 C ATOM 1395 CD1 LEU A 95 -2.302 -2.443 -9.491 1.00 0.70 C ATOM 1396 CD2 LEU A 95 -3.689 -2.573 -11.535 1.00 0.98 C ATOM 0 H LEU A 95 -3.041 1.730 -11.101 1.00 0.74 H new ATOM 0 HA LEU A 95 -5.311 -0.059 -11.608 1.00 0.64 H new ATOM 0 HB2 LEU A 95 -3.376 -0.074 -9.228 1.00 0.56 H new ATOM 0 HB3 LEU A 95 -4.695 -1.201 -9.475 1.00 0.56 H new ATOM 0 HG LEU A 95 -2.197 -1.088 -11.182 1.00 0.76 H new ATOM 0 HD11 LEU A 95 -1.605 -3.162 -9.921 1.00 0.70 H new ATOM 0 HD12 LEU A 95 -1.764 -1.774 -8.820 1.00 0.70 H new ATOM 0 HD13 LEU A 95 -3.073 -2.974 -8.933 1.00 0.70 H new ATOM 0 HD21 LEU A 95 -2.983 -3.280 -11.971 1.00 0.98 H new ATOM 0 HD22 LEU A 95 -4.447 -3.117 -10.971 1.00 0.98 H new ATOM 0 HD23 LEU A 95 -4.169 -2.003 -12.330 1.00 0.98 H new ATOM 1408 N LEU A 96 -6.580 0.812 -9.457 1.00 0.55 N ATOM 1409 CA LEU A 96 -7.330 1.410 -8.344 1.00 0.57 C ATOM 1410 C LEU A 96 -7.403 0.418 -7.167 1.00 0.53 C ATOM 1411 O LEU A 96 -7.705 -0.766 -7.359 1.00 0.57 O ATOM 1412 CB LEU A 96 -8.738 1.890 -8.753 1.00 0.75 C ATOM 1413 CG LEU A 96 -8.825 3.145 -9.651 1.00 1.17 C ATOM 1414 CD1 LEU A 96 -8.296 2.938 -11.074 1.00 2.01 C ATOM 1415 CD2 LEU A 96 -10.291 3.568 -9.766 1.00 1.67 C ATOM 0 H LEU A 96 -7.018 -0.029 -9.834 1.00 0.55 H new ATOM 0 HA LEU A 96 -6.788 2.302 -8.032 1.00 0.57 H new ATOM 0 HB2 LEU A 96 -9.237 1.070 -9.269 1.00 0.75 H new ATOM 0 HB3 LEU A 96 -9.305 2.086 -7.843 1.00 0.75 H new ATOM 0 HG LEU A 96 -8.199 3.900 -9.175 1.00 1.17 H new ATOM 0 HD11 LEU A 96 -8.394 3.866 -11.637 1.00 2.01 H new ATOM 0 HD12 LEU A 96 -7.246 2.647 -11.033 1.00 2.01 H new ATOM 0 HD13 LEU A 96 -8.871 2.153 -11.565 1.00 2.01 H new ATOM 0 HD21 LEU A 96 -10.366 4.453 -10.398 1.00 1.67 H new ATOM 0 HD22 LEU A 96 -10.870 2.757 -10.208 1.00 1.67 H new ATOM 0 HD23 LEU A 96 -10.683 3.796 -8.775 1.00 1.67 H new ATOM 1427 N ILE A 97 -7.113 0.903 -5.954 1.00 0.50 N ATOM 1428 CA ILE A 97 -7.055 0.097 -4.718 1.00 0.48 C ATOM 1429 C ILE A 97 -8.102 0.559 -3.697 1.00 0.46 C ATOM 1430 O ILE A 97 -8.157 1.746 -3.378 1.00 0.48 O ATOM 1431 CB ILE A 97 -5.648 0.146 -4.059 1.00 0.52 C ATOM 1432 CG1 ILE A 97 -4.466 0.161 -5.050 1.00 0.71 C ATOM 1433 CG2 ILE A 97 -5.454 -1.049 -3.109 1.00 0.67 C ATOM 1434 CD1 ILE A 97 -4.032 1.581 -5.429 1.00 1.62 C ATOM 0 H ILE A 97 -6.907 1.889 -5.796 1.00 0.50 H new ATOM 0 HA ILE A 97 -7.269 -0.930 -5.013 1.00 0.48 H new ATOM 0 HB ILE A 97 -5.633 1.096 -3.525 1.00 0.52 H new ATOM 0 HG12 ILE A 97 -3.621 -0.368 -4.609 1.00 0.71 H new ATOM 0 HG13 ILE A 97 -4.746 -0.382 -5.952 1.00 0.71 H new ATOM 0 HG21 ILE A 97 -4.463 -0.998 -2.657 1.00 0.67 H new ATOM 0 HG22 ILE A 97 -6.212 -1.018 -2.326 1.00 0.67 H new ATOM 0 HG23 ILE A 97 -5.549 -1.979 -3.670 1.00 0.67 H new ATOM 0 HD11 ILE A 97 -3.197 1.532 -6.128 1.00 1.62 H new ATOM 0 HD12 ILE A 97 -4.866 2.104 -5.896 1.00 1.62 H new ATOM 0 HD13 ILE A 97 -3.723 2.119 -4.532 1.00 1.62 H new ATOM 1446 N CYS A 98 -8.883 -0.358 -3.121 1.00 0.49 N ATOM 1447 CA CYS A 98 -9.730 -0.057 -1.969 1.00 0.54 C ATOM 1448 C CYS A 98 -8.908 -0.194 -0.673 1.00 0.64 C ATOM 1449 O CYS A 98 -8.439 -1.282 -0.319 1.00 0.69 O ATOM 1450 CB CYS A 98 -11.019 -0.901 -1.996 1.00 0.59 C ATOM 1451 SG CYS A 98 -10.700 -2.680 -1.879 1.00 1.58 S ATOM 0 H CYS A 98 -8.945 -1.325 -3.440 1.00 0.49 H new ATOM 0 HA CYS A 98 -10.070 0.978 -2.012 1.00 0.54 H new ATOM 0 HB2 CYS A 98 -11.663 -0.598 -1.171 1.00 0.59 H new ATOM 0 HB3 CYS A 98 -11.563 -0.695 -2.918 1.00 0.59 H new ATOM 0 HG CYS A 98 -9.621 -2.972 -2.543 1.00 1.58 H new ATOM 1457 N ALA A 99 -8.715 0.918 0.037 1.00 0.71 N ATOM 1458 CA ALA A 99 -8.075 0.939 1.347 1.00 0.73 C ATOM 1459 C ALA A 99 -9.087 0.508 2.420 1.00 0.77 C ATOM 1460 O ALA A 99 -10.112 1.163 2.608 1.00 0.96 O ATOM 1461 CB ALA A 99 -7.524 2.347 1.605 1.00 0.81 C ATOM 0 H ALA A 99 -9.004 1.841 -0.289 1.00 0.71 H new ATOM 0 HA ALA A 99 -7.242 0.236 1.383 1.00 0.73 H new ATOM 0 HB1 ALA A 99 -7.043 2.376 2.582 1.00 0.81 H new ATOM 0 HB2 ALA A 99 -6.796 2.600 0.834 1.00 0.81 H new ATOM 0 HB3 ALA A 99 -8.342 3.068 1.582 1.00 0.81 H new ATOM 1467 N THR A 100 -8.806 -0.595 3.114 1.00 0.72 N ATOM 1468 CA THR A 100 -9.715 -1.221 4.096 1.00 0.81 C ATOM 1469 C THR A 100 -9.131 -1.280 5.508 1.00 0.74 C ATOM 1470 O THR A 100 -9.720 -1.908 6.391 1.00 0.81 O ATOM 1471 CB THR A 100 -10.153 -2.618 3.611 1.00 1.01 C ATOM 1472 OG1 THR A 100 -9.031 -3.378 3.221 1.00 2.02 O ATOM 1473 CG2 THR A 100 -11.077 -2.533 2.396 1.00 2.04 C ATOM 0 H THR A 100 -7.923 -1.095 3.013 1.00 0.72 H new ATOM 0 HA THR A 100 -10.594 -0.580 4.165 1.00 0.81 H new ATOM 0 HB THR A 100 -10.677 -3.084 4.446 1.00 1.01 H new ATOM 0 HG1 THR A 100 -9.324 -4.262 2.917 1.00 2.02 H new ATOM 0 HG21 THR A 100 -11.363 -3.538 2.085 1.00 2.04 H new ATOM 0 HG22 THR A 100 -11.970 -1.966 2.657 1.00 2.04 H new ATOM 0 HG23 THR A 100 -10.557 -2.034 1.578 1.00 2.04 H new ATOM 1481 N HIS A 101 -8.023 -0.571 5.759 1.00 0.70 N ATOM 1482 CA HIS A 101 -7.273 -0.565 7.019 1.00 0.72 C ATOM 1483 C HIS A 101 -6.674 0.829 7.304 1.00 0.81 C ATOM 1484 O HIS A 101 -6.302 1.540 6.369 1.00 0.85 O ATOM 1485 CB HIS A 101 -6.159 -1.623 6.919 1.00 0.84 C ATOM 1486 CG HIS A 101 -6.659 -2.997 6.531 1.00 1.15 C ATOM 1487 ND1 HIS A 101 -6.467 -3.614 5.318 1.00 1.45 N ATOM 1488 CD2 HIS A 101 -7.464 -3.820 7.271 1.00 1.47 C ATOM 1489 CE1 HIS A 101 -7.136 -4.780 5.327 1.00 1.83 C ATOM 1490 NE2 HIS A 101 -7.754 -4.957 6.508 1.00 1.84 N ATOM 0 H HIS A 101 -7.607 0.041 5.057 1.00 0.70 H new ATOM 0 HA HIS A 101 -7.943 -0.801 7.845 1.00 0.72 H new ATOM 0 HB2 HIS A 101 -5.422 -1.294 6.186 1.00 0.84 H new ATOM 0 HB3 HIS A 101 -5.646 -1.690 7.879 1.00 0.84 H new ATOM 0 HD1 HIS A 101 -5.912 -3.250 4.544 1.00 1.45 H new ATOM 0 HD2 HIS A 101 -7.816 -3.625 8.273 1.00 1.47 H new ATOM 0 HE1 HIS A 101 -7.172 -5.476 4.502 1.00 1.83 H new ATOM 1498 N VAL A 102 -6.571 1.220 8.581 1.00 1.04 N ATOM 1499 CA VAL A 102 -5.968 2.489 9.051 1.00 1.26 C ATOM 1500 C VAL A 102 -4.657 2.249 9.829 1.00 1.59 C ATOM 1501 O VAL A 102 -4.185 1.114 9.906 1.00 1.35 O ATOM 1502 CB VAL A 102 -7.045 3.308 9.806 1.00 1.37 C ATOM 1503 CG1 VAL A 102 -7.187 2.945 11.289 1.00 3.00 C ATOM 1504 CG2 VAL A 102 -6.829 4.820 9.679 1.00 1.75 C ATOM 0 H VAL A 102 -6.916 0.645 9.349 1.00 1.04 H new ATOM 0 HA VAL A 102 -5.651 3.097 8.204 1.00 1.26 H new ATOM 0 HB VAL A 102 -7.975 3.031 9.309 1.00 1.37 H new ATOM 0 HG11 VAL A 102 -7.961 3.564 11.743 1.00 3.00 H new ATOM 0 HG12 VAL A 102 -7.462 1.894 11.382 1.00 3.00 H new ATOM 0 HG13 VAL A 102 -6.239 3.118 11.798 1.00 3.00 H new ATOM 0 HG21 VAL A 102 -7.611 5.346 10.226 1.00 1.75 H new ATOM 0 HG22 VAL A 102 -5.856 5.085 10.093 1.00 1.75 H new ATOM 0 HG23 VAL A 102 -6.866 5.106 8.628 1.00 1.75 H new ATOM 1514 N GLY A 103 -4.022 3.277 10.413 1.00 2.23 N ATOM 1515 CA GLY A 103 -2.690 3.185 11.038 1.00 2.69 C ATOM 1516 C GLY A 103 -2.560 2.219 12.228 1.00 2.70 C ATOM 1517 O GLY A 103 -1.446 1.804 12.563 1.00 2.88 O ATOM 0 H GLY A 103 -4.425 4.212 10.466 1.00 2.23 H new ATOM 0 HA2 GLY A 103 -1.974 2.884 10.274 1.00 2.69 H new ATOM 0 HA3 GLY A 103 -2.400 4.181 11.373 1.00 2.69 H new ATOM 1521 N ALA A 104 -3.675 1.826 12.847 1.00 2.79 N ATOM 1522 CA ALA A 104 -3.731 0.762 13.844 1.00 2.99 C ATOM 1523 C ALA A 104 -3.533 -0.631 13.206 1.00 2.29 C ATOM 1524 O ALA A 104 -2.595 -1.352 13.552 1.00 2.03 O ATOM 1525 CB ALA A 104 -5.057 0.884 14.603 1.00 3.72 C ATOM 0 H ALA A 104 -4.584 2.251 12.663 1.00 2.79 H new ATOM 0 HA ALA A 104 -2.909 0.871 14.551 1.00 2.99 H new ATOM 0 HB1 ALA A 104 -5.120 0.097 15.354 1.00 3.72 H new ATOM 0 HB2 ALA A 104 -5.108 1.857 15.091 1.00 3.72 H new ATOM 0 HB3 ALA A 104 -5.887 0.785 13.904 1.00 3.72 H new ATOM 1531 N ASP A 105 -4.391 -0.993 12.248 1.00 2.11 N ATOM 1532 CA ASP A 105 -4.393 -2.301 11.583 1.00 1.87 C ATOM 1533 C ASP A 105 -3.242 -2.518 10.582 1.00 1.26 C ATOM 1534 O ASP A 105 -2.773 -3.654 10.458 1.00 1.55 O ATOM 1535 CB ASP A 105 -5.752 -2.518 10.898 1.00 2.23 C ATOM 1536 CG ASP A 105 -5.877 -3.922 10.291 1.00 2.81 C ATOM 1537 OD1 ASP A 105 -5.349 -4.165 9.183 1.00 3.91 O ATOM 1538 OD2 ASP A 105 -6.529 -4.792 10.919 1.00 3.19 O ATOM 0 H ASP A 105 -5.122 -0.370 11.904 1.00 2.11 H new ATOM 0 HA ASP A 105 -4.228 -3.043 12.364 1.00 1.87 H new ATOM 0 HB2 ASP A 105 -6.551 -2.365 11.623 1.00 2.23 H new ATOM 0 HB3 ASP A 105 -5.885 -1.772 10.115 1.00 2.23 H new ATOM 1543 N THR A 106 -2.776 -1.456 9.907 1.00 0.94 N ATOM 1544 CA THR A 106 -1.865 -1.528 8.745 1.00 0.95 C ATOM 1545 C THR A 106 -0.644 -2.409 9.004 1.00 1.16 C ATOM 1546 O THR A 106 0.080 -2.219 9.987 1.00 1.24 O ATOM 1547 CB THR A 106 -1.457 -0.137 8.220 1.00 1.41 C ATOM 1548 OG1 THR A 106 -0.715 -0.263 7.025 1.00 1.97 O ATOM 1549 CG2 THR A 106 -0.599 0.681 9.181 1.00 2.47 C ATOM 0 H THR A 106 -3.026 -0.499 10.157 1.00 0.94 H new ATOM 0 HA THR A 106 -2.440 -2.009 7.954 1.00 0.95 H new ATOM 0 HB THR A 106 -2.403 0.386 8.077 1.00 1.41 H new ATOM 0 HG1 THR A 106 -0.463 0.627 6.701 1.00 1.97 H new ATOM 0 HG21 THR A 106 -0.361 1.643 8.727 1.00 2.47 H new ATOM 0 HG22 THR A 106 -1.146 0.843 10.109 1.00 2.47 H new ATOM 0 HG23 THR A 106 0.324 0.142 9.394 1.00 2.47 H new ATOM 1557 N THR A 107 -0.407 -3.384 8.119 1.00 1.36 N ATOM 1558 CA THR A 107 0.574 -4.464 8.356 1.00 1.51 C ATOM 1559 C THR A 107 1.980 -3.960 8.711 1.00 1.40 C ATOM 1560 O THR A 107 2.610 -4.511 9.609 1.00 1.34 O ATOM 1561 CB THR A 107 0.578 -5.480 7.197 1.00 1.84 C ATOM 1562 OG1 THR A 107 1.425 -6.561 7.504 1.00 2.32 O ATOM 1563 CG2 THR A 107 1.052 -4.929 5.854 1.00 2.48 C ATOM 0 H THR A 107 -0.884 -3.452 7.220 1.00 1.36 H new ATOM 0 HA THR A 107 0.239 -4.989 9.251 1.00 1.51 H new ATOM 0 HB THR A 107 -0.468 -5.769 7.093 1.00 1.84 H new ATOM 0 HG1 THR A 107 1.420 -7.202 6.762 1.00 2.32 H new ATOM 0 HG21 THR A 107 1.018 -5.719 5.104 1.00 2.48 H new ATOM 0 HG22 THR A 107 0.402 -4.110 5.547 1.00 2.48 H new ATOM 0 HG23 THR A 107 2.074 -4.564 5.951 1.00 2.48 H new ATOM 1571 N LEU A 108 2.442 -2.841 8.138 1.00 1.40 N ATOM 1572 CA LEU A 108 3.754 -2.244 8.446 1.00 1.34 C ATOM 1573 C LEU A 108 3.884 -1.858 9.928 1.00 1.15 C ATOM 1574 O LEU A 108 4.847 -2.229 10.601 1.00 1.10 O ATOM 1575 CB LEU A 108 3.973 -0.975 7.596 1.00 1.51 C ATOM 1576 CG LEU A 108 4.347 -1.188 6.121 1.00 1.13 C ATOM 1577 CD1 LEU A 108 3.278 -1.944 5.339 1.00 1.78 C ATOM 1578 CD2 LEU A 108 4.566 0.179 5.483 1.00 1.15 C ATOM 0 H LEU A 108 1.913 -2.318 7.441 1.00 1.40 H new ATOM 0 HA LEU A 108 4.504 -3.000 8.215 1.00 1.34 H new ATOM 0 HB2 LEU A 108 3.061 -0.379 7.633 1.00 1.51 H new ATOM 0 HB3 LEU A 108 4.760 -0.383 8.064 1.00 1.51 H new ATOM 0 HG LEU A 108 5.250 -1.797 6.089 1.00 1.13 H new ATOM 0 HD11 LEU A 108 3.600 -2.063 4.304 1.00 1.78 H new ATOM 0 HD12 LEU A 108 3.126 -2.926 5.787 1.00 1.78 H new ATOM 0 HD13 LEU A 108 2.343 -1.384 5.366 1.00 1.78 H new ATOM 0 HD21 LEU A 108 4.833 0.052 4.434 1.00 1.15 H new ATOM 0 HD22 LEU A 108 3.650 0.766 5.556 1.00 1.15 H new ATOM 0 HD23 LEU A 108 5.372 0.698 6.002 1.00 1.15 H new ATOM 1590 N SER A 109 2.889 -1.127 10.432 1.00 1.11 N ATOM 1591 CA SER A 109 2.805 -0.697 11.830 1.00 1.05 C ATOM 1592 C SER A 109 2.488 -1.860 12.775 1.00 1.03 C ATOM 1593 O SER A 109 2.785 -1.781 13.968 1.00 1.11 O ATOM 1594 CB SER A 109 1.737 0.386 11.982 1.00 1.09 C ATOM 1595 OG SER A 109 2.021 1.504 11.168 1.00 2.17 O ATOM 0 H SER A 109 2.101 -0.810 9.868 1.00 1.11 H new ATOM 0 HA SER A 109 3.783 -0.300 12.104 1.00 1.05 H new ATOM 0 HB2 SER A 109 0.762 -0.022 11.716 1.00 1.09 H new ATOM 0 HB3 SER A 109 1.678 0.698 13.025 1.00 1.09 H new ATOM 0 HG SER A 109 1.321 2.180 11.284 1.00 2.17 H new ATOM 1601 N GLN A 110 1.880 -2.930 12.256 1.00 1.09 N ATOM 1602 CA GLN A 110 1.599 -4.169 12.986 1.00 1.18 C ATOM 1603 C GLN A 110 2.854 -5.028 13.222 1.00 1.14 C ATOM 1604 O GLN A 110 3.079 -5.512 14.334 1.00 1.21 O ATOM 1605 CB GLN A 110 0.513 -4.949 12.232 1.00 1.38 C ATOM 1606 CG GLN A 110 -0.338 -5.806 13.171 1.00 1.66 C ATOM 1607 CD GLN A 110 -1.310 -4.947 13.967 1.00 2.10 C ATOM 1608 OE1 GLN A 110 -1.201 -4.756 15.172 1.00 2.30 O ATOM 1609 NE2 GLN A 110 -2.286 -4.361 13.315 1.00 2.40 N ATOM 0 H GLN A 110 1.560 -2.959 11.288 1.00 1.09 H new ATOM 0 HA GLN A 110 1.242 -3.906 13.982 1.00 1.18 H new ATOM 0 HB2 GLN A 110 -0.130 -4.250 11.698 1.00 1.38 H new ATOM 0 HB3 GLN A 110 0.980 -5.588 11.483 1.00 1.38 H new ATOM 0 HG2 GLN A 110 -0.891 -6.545 12.592 1.00 1.66 H new ATOM 0 HG3 GLN A 110 0.310 -6.356 13.854 1.00 1.66 H new ATOM 0 HE21 GLN A 110 -2.390 -4.510 12.311 1.00 2.40 H new ATOM 0 HE22 GLN A 110 -2.940 -3.757 13.812 1.00 2.40 H new ATOM 1618 N ILE A 111 3.696 -5.175 12.190 1.00 1.11 N ATOM 1619 CA ILE A 111 4.983 -5.894 12.233 1.00 1.12 C ATOM 1620 C ILE A 111 5.885 -5.322 13.332 1.00 1.06 C ATOM 1621 O ILE A 111 6.382 -6.076 14.170 1.00 1.12 O ATOM 1622 CB ILE A 111 5.671 -5.849 10.842 1.00 1.18 C ATOM 1623 CG1 ILE A 111 4.909 -6.742 9.835 1.00 1.34 C ATOM 1624 CG2 ILE A 111 7.145 -6.299 10.898 1.00 1.23 C ATOM 1625 CD1 ILE A 111 5.207 -6.420 8.364 1.00 1.45 C ATOM 0 H ILE A 111 3.496 -4.784 11.269 1.00 1.11 H new ATOM 0 HA ILE A 111 4.796 -6.940 12.477 1.00 1.12 H new ATOM 0 HB ILE A 111 5.648 -4.809 10.516 1.00 1.18 H new ATOM 0 HG12 ILE A 111 5.162 -7.785 10.026 1.00 1.34 H new ATOM 0 HG13 ILE A 111 3.838 -6.637 10.010 1.00 1.34 H new ATOM 0 HG21 ILE A 111 7.579 -6.249 9.899 1.00 1.23 H new ATOM 0 HG22 ILE A 111 7.700 -5.643 11.568 1.00 1.23 H new ATOM 0 HG23 ILE A 111 7.199 -7.324 11.266 1.00 1.23 H new ATOM 0 HD11 ILE A 111 4.634 -7.089 7.722 1.00 1.45 H new ATOM 0 HD12 ILE A 111 4.927 -5.388 8.154 1.00 1.45 H new ATOM 0 HD13 ILE A 111 6.271 -6.554 8.171 1.00 1.45 H new ATOM 1637 N VAL A 112 6.058 -3.994 13.392 1.00 1.02 N ATOM 1638 CA VAL A 112 6.942 -3.367 14.397 1.00 1.04 C ATOM 1639 C VAL A 112 6.442 -3.485 15.836 1.00 1.12 C ATOM 1640 O VAL A 112 7.238 -3.359 16.765 1.00 1.23 O ATOM 1641 CB VAL A 112 7.291 -1.907 14.069 1.00 1.07 C ATOM 1642 CG1 VAL A 112 7.999 -1.820 12.719 1.00 1.08 C ATOM 1643 CG2 VAL A 112 6.096 -0.954 14.041 1.00 1.12 C ATOM 0 H VAL A 112 5.603 -3.333 12.763 1.00 1.02 H new ATOM 0 HA VAL A 112 7.857 -3.955 14.334 1.00 1.04 H new ATOM 0 HB VAL A 112 7.938 -1.587 14.886 1.00 1.07 H new ATOM 0 HG11 VAL A 112 8.240 -0.780 12.501 1.00 1.08 H new ATOM 0 HG12 VAL A 112 8.918 -2.406 12.751 1.00 1.08 H new ATOM 0 HG13 VAL A 112 7.346 -2.212 11.940 1.00 1.08 H new ATOM 0 HG21 VAL A 112 6.439 0.053 13.802 1.00 1.12 H new ATOM 0 HG22 VAL A 112 5.385 -1.285 13.284 1.00 1.12 H new ATOM 0 HG23 VAL A 112 5.611 -0.949 15.017 1.00 1.12 H new