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 62 SER OG : rot 61:sc= 1.26 USER MOD Set 1.2: A 90 ASN : amide:sc= 0.373 K(o=1.6,f=-5.5!) USER MOD Set 2.1: A 16 THR OG1 : rot 180:sc= 0.0108 USER MOD Set 2.2: A 31 GLN : amide:sc= -0.0848 X(o=-0.074,f=0) 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 11 GLN : amide:sc= 0.626 K(o=0.63,f=-0.77) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.00312 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 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) 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 -52:sc= 1 USER MOD Single : A 74 MET CE :methyl 176:sc= 0 (180deg=-0.0358) USER MOD Single : A 78 LYS NZ :NH3+ 177:sc= 2.4 (180deg=2.29) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot -120:sc= 0.359 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot -80:sc=-0.00539 USER MOD Single : A 91 GLN : amide:sc= -0.0622 X(o=-0.062,f=-0.062) USER MOD Single : A 92 ASN : amide:sc= -0.308 X(o=-0.31,f=-0.4) USER MOD Single : A 94 SER OG : rot 180:sc=-0.00597 USER MOD Single : A 98 CYS SG : rot 32:sc= -0.031 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 HIS : no HD1:sc= -0.0955 K(o=-0.096,f=-3.4!) USER MOD Single : A 106 THR OG1 : rot -91:sc= 1.26 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot -146:sc= 1.27 USER MOD Single : A 110 GLN : amide:sc= -0.0222 X(o=-0.022,f=0) USER MOD ----------------------------------------------------------------- ATOM 27 N ALA A 3 15.986 -3.108 9.579 1.00 1.57 N ATOM 28 CA ALA A 3 14.643 -3.292 9.031 1.00 1.44 C ATOM 29 C ALA A 3 13.550 -2.811 10.008 1.00 1.06 C ATOM 30 O ALA A 3 12.597 -2.160 9.583 1.00 1.01 O ATOM 31 CB ALA A 3 14.464 -4.765 8.647 1.00 1.77 C ATOM 0 HA ALA A 3 14.533 -2.675 8.139 1.00 1.44 H new ATOM 0 HB1 ALA A 3 13.465 -4.915 8.237 1.00 1.77 H new ATOM 0 HB2 ALA A 3 15.208 -5.039 7.900 1.00 1.77 H new ATOM 0 HB3 ALA A 3 14.591 -5.390 9.531 1.00 1.77 H new ATOM 37 N LEU A 4 13.719 -3.053 11.317 1.00 1.04 N ATOM 38 CA LEU A 4 12.770 -2.620 12.358 1.00 0.83 C ATOM 39 C LEU A 4 12.518 -1.096 12.346 1.00 0.75 C ATOM 40 O LEU A 4 11.405 -0.652 12.626 1.00 0.90 O ATOM 41 CB LEU A 4 13.279 -3.082 13.741 1.00 1.05 C ATOM 42 CG LEU A 4 12.174 -3.111 14.818 1.00 1.18 C ATOM 43 CD1 LEU A 4 11.320 -4.366 14.645 1.00 1.40 C ATOM 44 CD2 LEU A 4 12.751 -3.156 16.233 1.00 1.56 C ATOM 0 H LEU A 4 14.524 -3.559 11.687 1.00 1.04 H new ATOM 0 HA LEU A 4 11.809 -3.087 12.143 1.00 0.83 H new ATOM 0 HB2 LEU A 4 13.712 -4.078 13.647 1.00 1.05 H new ATOM 0 HB3 LEU A 4 14.078 -2.416 14.068 1.00 1.05 H new ATOM 0 HG LEU A 4 11.589 -2.200 14.693 1.00 1.18 H new ATOM 0 HD11 LEU A 4 10.541 -4.384 15.407 1.00 1.40 H new ATOM 0 HD12 LEU A 4 10.861 -4.360 13.656 1.00 1.40 H new ATOM 0 HD13 LEU A 4 11.948 -5.251 14.748 1.00 1.40 H new ATOM 0 HD21 LEU A 4 11.937 -3.175 16.957 1.00 1.56 H new ATOM 0 HD22 LEU A 4 13.361 -4.052 16.349 1.00 1.56 H new ATOM 0 HD23 LEU A 4 13.367 -2.273 16.403 1.00 1.56 H new ATOM 56 N ALA A 5 13.538 -0.296 12.016 1.00 0.86 N ATOM 57 CA ALA A 5 13.382 1.131 11.730 1.00 0.99 C ATOM 58 C ALA A 5 12.803 1.403 10.323 1.00 0.83 C ATOM 59 O ALA A 5 11.939 2.268 10.156 1.00 0.95 O ATOM 60 CB ALA A 5 14.734 1.821 11.946 1.00 1.33 C ATOM 0 H ALA A 5 14.501 -0.625 11.940 1.00 0.86 H new ATOM 0 HA ALA A 5 12.647 1.549 12.418 1.00 0.99 H new ATOM 0 HB1 ALA A 5 14.636 2.886 11.737 1.00 1.33 H new ATOM 0 HB2 ALA A 5 15.053 1.681 12.979 1.00 1.33 H new ATOM 0 HB3 ALA A 5 15.476 1.386 11.276 1.00 1.33 H new ATOM 66 N LYS A 6 13.265 0.660 9.303 1.00 0.71 N ATOM 67 CA LYS A 6 12.893 0.844 7.886 1.00 0.72 C ATOM 68 C LYS A 6 11.390 0.673 7.642 1.00 0.74 C ATOM 69 O LYS A 6 10.828 1.423 6.850 1.00 0.84 O ATOM 70 CB LYS A 6 13.727 -0.103 6.996 1.00 0.80 C ATOM 71 CG LYS A 6 13.820 0.364 5.531 1.00 1.07 C ATOM 72 CD LYS A 6 14.802 -0.505 4.725 1.00 1.29 C ATOM 73 CE LYS A 6 15.052 0.093 3.331 1.00 1.92 C ATOM 74 NZ LYS A 6 16.100 -0.646 2.583 1.00 2.18 N ATOM 0 H LYS A 6 13.925 -0.105 9.443 1.00 0.71 H new ATOM 0 HA LYS A 6 13.122 1.874 7.614 1.00 0.72 H new ATOM 0 HB2 LYS A 6 14.733 -0.186 7.408 1.00 0.80 H new ATOM 0 HB3 LYS A 6 13.287 -1.100 7.025 1.00 0.80 H new ATOM 0 HG2 LYS A 6 12.833 0.322 5.071 1.00 1.07 H new ATOM 0 HG3 LYS A 6 14.142 1.405 5.499 1.00 1.07 H new ATOM 0 HD2 LYS A 6 15.746 -0.588 5.264 1.00 1.29 H new ATOM 0 HD3 LYS A 6 14.402 -1.514 4.625 1.00 1.29 H new ATOM 0 HE2 LYS A 6 14.123 0.080 2.760 1.00 1.92 H new ATOM 0 HE3 LYS A 6 15.349 1.137 3.433 1.00 1.92 H new ATOM 0 HZ1 LYS A 6 16.235 -0.208 1.650 1.00 2.18 H new ATOM 0 HZ2 LYS A 6 16.994 -0.613 3.113 1.00 2.18 H new ATOM 0 HZ3 LYS A 6 15.807 -1.636 2.461 1.00 2.18 H new ATOM 88 N LEU A 7 10.718 -0.231 8.362 1.00 0.72 N ATOM 89 CA LEU A 7 9.254 -0.395 8.308 1.00 0.87 C ATOM 90 C LEU A 7 8.493 0.897 8.665 1.00 1.05 C ATOM 91 O LEU A 7 7.481 1.192 8.037 1.00 1.26 O ATOM 92 CB LEU A 7 8.818 -1.560 9.225 1.00 0.77 C ATOM 93 CG LEU A 7 8.673 -2.955 8.578 1.00 0.84 C ATOM 94 CD1 LEU A 7 7.613 -2.986 7.478 1.00 1.17 C ATOM 95 CD2 LEU A 7 9.975 -3.492 7.993 1.00 0.94 C ATOM 0 H LEU A 7 11.175 -0.877 9.006 1.00 0.72 H new ATOM 0 HA LEU A 7 8.994 -0.629 7.276 1.00 0.87 H new ATOM 0 HB2 LEU A 7 9.541 -1.638 10.037 1.00 0.77 H new ATOM 0 HB3 LEU A 7 7.861 -1.295 9.674 1.00 0.77 H new ATOM 0 HG LEU A 7 8.366 -3.596 9.405 1.00 0.84 H new ATOM 0 HD11 LEU A 7 7.553 -3.990 7.058 1.00 1.17 H new ATOM 0 HD12 LEU A 7 6.645 -2.710 7.897 1.00 1.17 H new ATOM 0 HD13 LEU A 7 7.883 -2.280 6.693 1.00 1.17 H new ATOM 0 HD21 LEU A 7 9.799 -4.475 7.555 1.00 0.94 H new ATOM 0 HD22 LEU A 7 10.336 -2.811 7.222 1.00 0.94 H new ATOM 0 HD23 LEU A 7 10.722 -3.575 8.783 1.00 0.94 H new ATOM 107 N ILE A 8 8.987 1.695 9.617 1.00 1.07 N ATOM 108 CA ILE A 8 8.423 3.019 9.933 1.00 1.28 C ATOM 109 C ILE A 8 8.751 4.051 8.839 1.00 1.24 C ATOM 110 O ILE A 8 7.901 4.859 8.457 1.00 1.33 O ATOM 111 CB ILE A 8 8.884 3.473 11.336 1.00 1.45 C ATOM 112 CG1 ILE A 8 8.421 2.501 12.447 1.00 1.61 C ATOM 113 CG2 ILE A 8 8.413 4.900 11.650 1.00 1.66 C ATOM 114 CD1 ILE A 8 6.902 2.362 12.635 1.00 1.85 C ATOM 0 H ILE A 8 9.790 1.444 10.193 1.00 1.07 H new ATOM 0 HA ILE A 8 7.336 2.939 9.954 1.00 1.28 H new ATOM 0 HB ILE A 8 9.974 3.464 11.318 1.00 1.45 H new ATOM 0 HG12 ILE A 8 8.832 1.514 12.232 1.00 1.61 H new ATOM 0 HG13 ILE A 8 8.855 2.828 13.392 1.00 1.61 H new ATOM 0 HG21 ILE A 8 8.755 5.186 12.645 1.00 1.66 H new ATOM 0 HG22 ILE A 8 8.824 5.589 10.913 1.00 1.66 H new ATOM 0 HG23 ILE A 8 7.324 4.940 11.616 1.00 1.66 H new ATOM 0 HD11 ILE A 8 6.698 1.656 13.440 1.00 1.85 H new ATOM 0 HD12 ILE A 8 6.476 3.333 12.888 1.00 1.85 H new ATOM 0 HD13 ILE A 8 6.453 1.999 11.711 1.00 1.85 H new ATOM 126 N SER A 9 9.963 4.004 8.277 1.00 1.13 N ATOM 127 CA SER A 9 10.390 4.888 7.176 1.00 1.11 C ATOM 128 C SER A 9 9.603 4.643 5.875 1.00 1.16 C ATOM 129 O SER A 9 9.460 5.546 5.047 1.00 1.23 O ATOM 130 CB SER A 9 11.890 4.708 6.912 1.00 1.02 C ATOM 131 OG SER A 9 12.627 4.907 8.108 1.00 1.14 O ATOM 0 H SER A 9 10.685 3.347 8.573 1.00 1.13 H new ATOM 0 HA SER A 9 10.183 5.910 7.492 1.00 1.11 H new ATOM 0 HB2 SER A 9 12.080 3.708 6.521 1.00 1.02 H new ATOM 0 HB3 SER A 9 12.220 5.415 6.151 1.00 1.02 H new ATOM 0 HG SER A 9 13.583 4.788 7.927 1.00 1.14 H new ATOM 137 N LEU A 10 9.072 3.429 5.694 1.00 1.20 N ATOM 138 CA LEU A 10 8.200 3.011 4.592 1.00 1.41 C ATOM 139 C LEU A 10 6.762 3.558 4.660 1.00 1.63 C ATOM 140 O LEU A 10 6.074 3.534 3.634 1.00 1.82 O ATOM 141 CB LEU A 10 8.201 1.469 4.548 1.00 1.40 C ATOM 142 CG LEU A 10 9.437 0.889 3.838 1.00 1.49 C ATOM 143 CD1 LEU A 10 9.681 -0.558 4.254 1.00 1.70 C ATOM 144 CD2 LEU A 10 9.228 0.871 2.326 1.00 1.87 C ATOM 0 H LEU A 10 9.250 2.669 6.350 1.00 1.20 H new ATOM 0 HA LEU A 10 8.604 3.440 3.675 1.00 1.41 H new ATOM 0 HB2 LEU A 10 8.159 1.082 5.566 1.00 1.40 H new ATOM 0 HB3 LEU A 10 7.301 1.125 4.038 1.00 1.40 H new ATOM 0 HG LEU A 10 10.281 1.520 4.115 1.00 1.49 H new ATOM 0 HD11 LEU A 10 10.560 -0.942 3.737 1.00 1.70 H new ATOM 0 HD12 LEU A 10 9.844 -0.604 5.331 1.00 1.70 H new ATOM 0 HD13 LEU A 10 8.813 -1.163 3.992 1.00 1.70 H new ATOM 0 HD21 LEU A 10 10.112 0.458 1.841 1.00 1.87 H new ATOM 0 HD22 LEU A 10 8.361 0.255 2.086 1.00 1.87 H new ATOM 0 HD23 LEU A 10 9.061 1.887 1.970 1.00 1.87 H new ATOM 156 N GLN A 11 6.281 4.040 5.813 1.00 1.68 N ATOM 157 CA GLN A 11 4.913 4.567 5.946 1.00 1.90 C ATOM 158 C GLN A 11 4.760 5.954 5.293 1.00 1.96 C ATOM 159 O GLN A 11 5.682 6.771 5.317 1.00 1.86 O ATOM 160 CB GLN A 11 4.466 4.580 7.415 1.00 1.98 C ATOM 161 CG GLN A 11 4.174 3.171 7.943 1.00 1.98 C ATOM 162 CD GLN A 11 3.901 3.235 9.435 1.00 2.24 C ATOM 163 OE1 GLN A 11 4.737 3.593 10.253 1.00 3.32 O ATOM 164 NE2 GLN A 11 2.692 2.991 9.870 1.00 2.48 N ATOM 0 H GLN A 11 6.824 4.077 6.676 1.00 1.68 H new ATOM 0 HA GLN A 11 4.252 3.891 5.403 1.00 1.90 H new ATOM 0 HB2 GLN A 11 5.242 5.041 8.025 1.00 1.98 H new ATOM 0 HB3 GLN A 11 3.573 5.197 7.516 1.00 1.98 H new ATOM 0 HG2 GLN A 11 3.315 2.747 7.423 1.00 1.98 H new ATOM 0 HG3 GLN A 11 5.021 2.514 7.746 1.00 1.98 H new ATOM 0 HE21 GLN A 11 1.967 2.690 9.219 1.00 2.48 H new ATOM 0 HE22 GLN A 11 2.474 3.101 10.860 1.00 2.48 H new ATOM 173 N ALA A 12 3.592 6.216 4.707 1.00 2.19 N ATOM 174 CA ALA A 12 3.283 7.442 3.968 1.00 2.27 C ATOM 175 C ALA A 12 2.819 8.592 4.884 1.00 2.35 C ATOM 176 O ALA A 12 2.288 8.353 5.971 1.00 2.98 O ATOM 177 CB ALA A 12 2.222 7.105 2.911 1.00 2.45 C ATOM 0 H ALA A 12 2.810 5.561 4.734 1.00 2.19 H new ATOM 0 HA ALA A 12 4.193 7.804 3.490 1.00 2.27 H new ATOM 0 HB1 ALA A 12 1.974 8.003 2.346 1.00 2.45 H new ATOM 0 HB2 ALA A 12 2.612 6.346 2.233 1.00 2.45 H new ATOM 0 HB3 ALA A 12 1.326 6.727 3.403 1.00 2.45 H new ATOM 183 N THR A 13 2.970 9.841 4.433 1.00 2.15 N ATOM 184 CA THR A 13 2.419 11.046 5.094 1.00 2.15 C ATOM 185 C THR A 13 1.062 11.486 4.539 1.00 2.04 C ATOM 186 O THR A 13 0.247 12.036 5.287 1.00 2.06 O ATOM 187 CB THR A 13 3.385 12.233 4.967 1.00 2.25 C ATOM 188 OG1 THR A 13 3.793 12.385 3.627 1.00 2.73 O ATOM 189 CG2 THR A 13 4.639 12.042 5.813 1.00 2.10 C ATOM 0 H THR A 13 3.488 10.056 3.581 1.00 2.15 H new ATOM 0 HA THR A 13 2.285 10.758 6.137 1.00 2.15 H new ATOM 0 HB THR A 13 2.847 13.114 5.316 1.00 2.25 H new ATOM 0 HG1 THR A 13 4.407 13.145 3.556 1.00 2.73 H new ATOM 0 HG21 THR A 13 5.294 12.905 5.693 1.00 2.10 H new ATOM 0 HG22 THR A 13 4.359 11.942 6.862 1.00 2.10 H new ATOM 0 HG23 THR A 13 5.162 11.142 5.490 1.00 2.10 H new ATOM 197 N GLU A 14 0.807 11.234 3.252 1.00 1.98 N ATOM 198 CA GLU A 14 -0.368 11.687 2.494 1.00 1.89 C ATOM 199 C GLU A 14 -0.909 10.617 1.524 1.00 1.73 C ATOM 200 O GLU A 14 -0.209 9.661 1.179 1.00 1.78 O ATOM 201 CB GLU A 14 -0.041 12.994 1.736 1.00 2.02 C ATOM 202 CG GLU A 14 1.167 12.890 0.799 1.00 2.20 C ATOM 203 CD GLU A 14 1.194 14.032 -0.222 1.00 2.62 C ATOM 204 OE1 GLU A 14 1.811 15.087 0.062 1.00 3.56 O ATOM 205 OE2 GLU A 14 0.629 13.861 -1.333 1.00 3.22 O ATOM 0 H GLU A 14 1.445 10.681 2.680 1.00 1.98 H new ATOM 0 HA GLU A 14 -1.160 11.875 3.219 1.00 1.89 H new ATOM 0 HB2 GLU A 14 -0.913 13.292 1.154 1.00 2.02 H new ATOM 0 HB3 GLU A 14 0.143 13.786 2.462 1.00 2.02 H new ATOM 0 HG2 GLU A 14 2.085 12.906 1.386 1.00 2.20 H new ATOM 0 HG3 GLU A 14 1.140 11.934 0.275 1.00 2.20 H new ATOM 212 N ALA A 15 -2.156 10.781 1.073 1.00 1.56 N ATOM 213 CA ALA A 15 -2.808 9.926 0.074 1.00 1.37 C ATOM 214 C ALA A 15 -3.707 10.719 -0.900 1.00 1.32 C ATOM 215 O ALA A 15 -4.159 11.819 -0.576 1.00 1.44 O ATOM 216 CB ALA A 15 -3.593 8.839 0.819 1.00 1.16 C ATOM 0 H ALA A 15 -2.759 11.535 1.402 1.00 1.56 H new ATOM 0 HA ALA A 15 -2.044 9.471 -0.556 1.00 1.37 H new ATOM 0 HB1 ALA A 15 -4.088 8.189 0.098 1.00 1.16 H new ATOM 0 HB2 ALA A 15 -2.909 8.250 1.429 1.00 1.16 H new ATOM 0 HB3 ALA A 15 -4.341 9.305 1.460 1.00 1.16 H new ATOM 222 N THR A 16 -4.005 10.138 -2.070 1.00 1.20 N ATOM 223 CA THR A 16 -4.915 10.719 -3.080 1.00 1.15 C ATOM 224 C THR A 16 -6.283 10.015 -3.090 1.00 1.08 C ATOM 225 O THR A 16 -6.335 8.806 -3.306 1.00 1.30 O ATOM 226 CB THR A 16 -4.295 10.705 -4.490 1.00 1.21 C ATOM 227 OG1 THR A 16 -3.040 11.364 -4.500 1.00 1.32 O ATOM 228 CG2 THR A 16 -5.184 11.397 -5.528 1.00 1.16 C ATOM 0 H THR A 16 -3.617 9.237 -2.350 1.00 1.20 H new ATOM 0 HA THR A 16 -5.071 11.758 -2.791 1.00 1.15 H new ATOM 0 HB THR A 16 -4.184 9.653 -4.752 1.00 1.21 H new ATOM 0 HG1 THR A 16 -2.666 11.341 -5.405 1.00 1.32 H new ATOM 0 HG21 THR A 16 -4.701 11.359 -6.504 1.00 1.16 H new ATOM 0 HG22 THR A 16 -6.147 10.888 -5.580 1.00 1.16 H new ATOM 0 HG23 THR A 16 -5.338 12.437 -5.240 1.00 1.16 H new ATOM 236 N ILE A 17 -7.391 10.750 -2.924 1.00 0.84 N ATOM 237 CA ILE A 17 -8.772 10.223 -2.909 1.00 0.80 C ATOM 238 C ILE A 17 -9.506 10.570 -4.213 1.00 0.83 C ATOM 239 O ILE A 17 -9.562 11.745 -4.590 1.00 0.96 O ATOM 240 CB ILE A 17 -9.565 10.753 -1.683 1.00 0.78 C ATOM 241 CG1 ILE A 17 -8.767 10.571 -0.366 1.00 0.79 C ATOM 242 CG2 ILE A 17 -10.927 10.034 -1.616 1.00 0.77 C ATOM 243 CD1 ILE A 17 -9.534 10.933 0.912 1.00 0.76 C ATOM 0 H ILE A 17 -7.355 11.761 -2.792 1.00 0.84 H new ATOM 0 HA ILE A 17 -8.708 9.138 -2.827 1.00 0.80 H new ATOM 0 HB ILE A 17 -9.729 11.824 -1.803 1.00 0.78 H new ATOM 0 HG12 ILE A 17 -8.443 9.533 -0.296 1.00 0.79 H new ATOM 0 HG13 ILE A 17 -7.866 11.183 -0.417 1.00 0.79 H new ATOM 0 HG21 ILE A 17 -11.490 10.401 -0.758 1.00 0.77 H new ATOM 0 HG22 ILE A 17 -11.488 10.232 -2.529 1.00 0.77 H new ATOM 0 HG23 ILE A 17 -10.767 8.961 -1.514 1.00 0.77 H new ATOM 0 HD11 ILE A 17 -8.893 10.773 1.779 1.00 0.76 H new ATOM 0 HD12 ILE A 17 -9.835 11.980 0.872 1.00 0.76 H new ATOM 0 HD13 ILE A 17 -10.420 10.304 0.995 1.00 0.76 H new ATOM 255 N VAL A 18 -10.142 9.586 -4.862 1.00 0.79 N ATOM 256 CA VAL A 18 -10.930 9.775 -6.101 1.00 0.82 C ATOM 257 C VAL A 18 -12.434 9.578 -5.859 1.00 0.86 C ATOM 258 O VAL A 18 -12.836 8.613 -5.210 1.00 0.98 O ATOM 259 CB VAL A 18 -10.413 8.888 -7.256 1.00 0.97 C ATOM 260 CG1 VAL A 18 -8.933 9.167 -7.548 1.00 2.48 C ATOM 261 CG2 VAL A 18 -10.541 7.381 -7.019 1.00 1.57 C ATOM 0 H VAL A 18 -10.127 8.618 -4.541 1.00 0.79 H new ATOM 0 HA VAL A 18 -10.790 10.811 -6.409 1.00 0.82 H new ATOM 0 HB VAL A 18 -11.056 9.157 -8.094 1.00 0.97 H new ATOM 0 HG11 VAL A 18 -8.597 8.529 -8.365 1.00 2.48 H new ATOM 0 HG12 VAL A 18 -8.809 10.213 -7.830 1.00 2.48 H new ATOM 0 HG13 VAL A 18 -8.341 8.958 -6.657 1.00 2.48 H new ATOM 0 HG21 VAL A 18 -10.152 6.842 -7.883 1.00 1.57 H new ATOM 0 HG22 VAL A 18 -9.972 7.103 -6.132 1.00 1.57 H new ATOM 0 HG23 VAL A 18 -11.590 7.124 -6.873 1.00 1.57 H new ATOM 271 N THR A 19 -13.275 10.484 -6.377 1.00 0.91 N ATOM 272 CA THR A 19 -14.739 10.466 -6.146 1.00 1.09 C ATOM 273 C THR A 19 -15.530 10.833 -7.405 1.00 1.18 C ATOM 274 O THR A 19 -15.225 11.840 -8.056 1.00 1.20 O ATOM 275 CB THR A 19 -15.137 11.424 -5.006 1.00 1.23 C ATOM 276 OG1 THR A 19 -14.318 11.230 -3.874 1.00 1.35 O ATOM 277 CG2 THR A 19 -16.576 11.211 -4.534 1.00 1.62 C ATOM 0 H THR A 19 -12.966 11.254 -6.970 1.00 0.91 H new ATOM 0 HA THR A 19 -14.989 9.442 -5.867 1.00 1.09 H new ATOM 0 HB THR A 19 -15.023 12.426 -5.420 1.00 1.23 H new ATOM 0 HG1 THR A 19 -14.588 11.850 -3.165 1.00 1.35 H new ATOM 0 HG21 THR A 19 -16.803 11.912 -3.731 1.00 1.62 H new ATOM 0 HG22 THR A 19 -17.260 11.379 -5.366 1.00 1.62 H new ATOM 0 HG23 THR A 19 -16.692 10.191 -4.169 1.00 1.62 H new ATOM 391 N LEU A 27 -15.499 13.296 -12.328 1.00 2.03 N ATOM 392 CA LEU A 27 -14.355 12.808 -11.545 1.00 1.81 C ATOM 393 C LEU A 27 -13.578 13.966 -10.907 1.00 1.74 C ATOM 394 O LEU A 27 -13.080 14.850 -11.608 1.00 2.03 O ATOM 395 CB LEU A 27 -13.507 11.863 -12.424 1.00 1.91 C ATOM 396 CG LEU A 27 -12.681 10.825 -11.634 1.00 2.68 C ATOM 397 CD1 LEU A 27 -12.314 9.647 -12.537 1.00 3.28 C ATOM 398 CD2 LEU A 27 -11.388 11.402 -11.057 1.00 4.27 C ATOM 0 HA LEU A 27 -14.699 12.219 -10.695 1.00 1.81 H new ATOM 0 HB2 LEU A 27 -14.168 11.336 -13.111 1.00 1.91 H new ATOM 0 HB3 LEU A 27 -12.829 12.463 -13.031 1.00 1.91 H new ATOM 0 HG LEU A 27 -13.311 10.505 -10.804 1.00 2.68 H new ATOM 0 HD11 LEU A 27 -11.732 8.921 -11.969 1.00 3.28 H new ATOM 0 HD12 LEU A 27 -13.224 9.174 -12.905 1.00 3.28 H new ATOM 0 HD13 LEU A 27 -11.724 10.005 -13.381 1.00 3.28 H new ATOM 0 HD21 LEU A 27 -10.853 10.623 -10.513 1.00 4.27 H new ATOM 0 HD22 LEU A 27 -10.762 11.774 -11.868 1.00 4.27 H new ATOM 0 HD23 LEU A 27 -11.626 12.220 -10.378 1.00 4.27 H new ATOM 410 N SER A 28 -13.490 13.956 -9.575 1.00 1.51 N ATOM 411 CA SER A 28 -12.837 14.982 -8.754 1.00 1.53 C ATOM 412 C SER A 28 -11.884 14.312 -7.754 1.00 1.39 C ATOM 413 O SER A 28 -12.247 13.333 -7.090 1.00 1.34 O ATOM 414 CB SER A 28 -13.915 15.850 -8.083 1.00 1.63 C ATOM 415 OG SER A 28 -13.354 16.717 -7.118 1.00 1.88 O ATOM 0 H SER A 28 -13.888 13.202 -9.014 1.00 1.51 H new ATOM 0 HA SER A 28 -12.227 15.645 -9.367 1.00 1.53 H new ATOM 0 HB2 SER A 28 -14.436 16.435 -8.841 1.00 1.63 H new ATOM 0 HB3 SER A 28 -14.658 15.208 -7.609 1.00 1.63 H new ATOM 0 HG SER A 28 -14.064 17.256 -6.711 1.00 1.88 H new ATOM 421 N GLU A 29 -10.645 14.802 -7.670 1.00 1.43 N ATOM 422 CA GLU A 29 -9.542 14.169 -6.929 1.00 1.28 C ATOM 423 C GLU A 29 -8.966 15.087 -5.842 1.00 1.24 C ATOM 424 O GLU A 29 -8.818 16.293 -6.048 1.00 1.36 O ATOM 425 CB GLU A 29 -8.408 13.753 -7.877 1.00 1.35 C ATOM 426 CG GLU A 29 -8.842 12.908 -9.080 1.00 1.44 C ATOM 427 CD GLU A 29 -7.632 12.612 -9.966 1.00 1.72 C ATOM 428 OE1 GLU A 29 -6.652 11.983 -9.503 1.00 3.03 O ATOM 429 OE2 GLU A 29 -7.594 13.110 -11.118 1.00 2.20 O ATOM 0 H GLU A 29 -10.370 15.672 -8.126 1.00 1.43 H new ATOM 0 HA GLU A 29 -9.966 13.287 -6.449 1.00 1.28 H new ATOM 0 HB2 GLU A 29 -7.914 14.653 -8.244 1.00 1.35 H new ATOM 0 HB3 GLU A 29 -7.667 13.192 -7.308 1.00 1.35 H new ATOM 0 HG2 GLU A 29 -9.291 11.976 -8.738 1.00 1.44 H new ATOM 0 HG3 GLU A 29 -9.603 13.438 -9.653 1.00 1.44 H new ATOM 436 N GLU A 30 -8.568 14.528 -4.702 1.00 1.12 N ATOM 437 CA GLU A 30 -8.032 15.263 -3.544 1.00 1.11 C ATOM 438 C GLU A 30 -6.720 14.648 -3.059 1.00 1.02 C ATOM 439 O GLU A 30 -6.608 13.427 -3.032 1.00 0.86 O ATOM 440 CB GLU A 30 -9.017 15.155 -2.369 1.00 1.10 C ATOM 441 CG GLU A 30 -10.381 15.810 -2.586 1.00 1.52 C ATOM 442 CD GLU A 30 -10.404 17.249 -2.054 1.00 2.46 C ATOM 443 OE1 GLU A 30 -9.963 18.207 -2.741 1.00 3.39 O ATOM 444 OE2 GLU A 30 -10.846 17.450 -0.898 1.00 3.33 O ATOM 0 H GLU A 30 -8.608 13.521 -4.547 1.00 1.12 H new ATOM 0 HA GLU A 30 -7.877 16.295 -3.858 1.00 1.11 H new ATOM 0 HB2 GLU A 30 -9.173 14.100 -2.145 1.00 1.10 H new ATOM 0 HB3 GLU A 30 -8.555 15.603 -1.489 1.00 1.10 H new ATOM 0 HG2 GLU A 30 -10.621 15.810 -3.649 1.00 1.52 H new ATOM 0 HG3 GLU A 30 -11.151 15.223 -2.085 1.00 1.52 H new ATOM 451 N GLN A 31 -5.764 15.460 -2.605 1.00 1.21 N ATOM 452 CA GLN A 31 -4.586 14.990 -1.864 1.00 1.28 C ATOM 453 C GLN A 31 -4.726 15.408 -0.396 1.00 1.28 C ATOM 454 O GLN A 31 -4.955 16.589 -0.120 1.00 1.27 O ATOM 455 CB GLN A 31 -3.273 15.500 -2.480 1.00 1.47 C ATOM 456 CG GLN A 31 -2.978 14.878 -3.854 1.00 1.56 C ATOM 457 CD GLN A 31 -1.489 14.721 -4.059 1.00 1.94 C ATOM 458 OE1 GLN A 31 -0.750 15.630 -4.411 1.00 2.42 O ATOM 459 NE2 GLN A 31 -0.985 13.578 -3.671 1.00 2.06 N ATOM 0 H GLN A 31 -5.783 16.471 -2.741 1.00 1.21 H new ATOM 0 HA GLN A 31 -4.540 13.903 -1.926 1.00 1.28 H new ATOM 0 HB2 GLN A 31 -3.321 16.584 -2.580 1.00 1.47 H new ATOM 0 HB3 GLN A 31 -2.449 15.279 -1.802 1.00 1.47 H new ATOM 0 HG2 GLN A 31 -3.466 13.906 -3.931 1.00 1.56 H new ATOM 0 HG3 GLN A 31 -3.394 15.507 -4.641 1.00 1.56 H new ATOM 0 HE21 GLN A 31 -1.603 12.821 -3.378 1.00 2.06 H new ATOM 0 HE22 GLN A 31 0.026 13.443 -3.662 1.00 2.06 H new ATOM 468 N VAL A 32 -4.622 14.458 0.535 1.00 1.34 N ATOM 469 CA VAL A 32 -4.931 14.649 1.966 1.00 1.41 C ATOM 470 C VAL A 32 -3.845 14.076 2.877 1.00 1.59 C ATOM 471 O VAL A 32 -3.106 13.178 2.473 1.00 1.68 O ATOM 472 CB VAL A 32 -6.301 14.038 2.342 1.00 1.39 C ATOM 473 CG1 VAL A 32 -7.427 14.527 1.424 1.00 1.17 C ATOM 474 CG2 VAL A 32 -6.332 12.503 2.329 1.00 1.49 C ATOM 0 H VAL A 32 -4.314 13.510 0.317 1.00 1.34 H new ATOM 0 HA VAL A 32 -4.971 15.727 2.122 1.00 1.41 H new ATOM 0 HB VAL A 32 -6.459 14.381 3.364 1.00 1.39 H new ATOM 0 HG11 VAL A 32 -8.369 14.070 1.728 1.00 1.17 H new ATOM 0 HG12 VAL A 32 -7.510 15.611 1.496 1.00 1.17 H new ATOM 0 HG13 VAL A 32 -7.204 14.248 0.394 1.00 1.17 H new ATOM 0 HG21 VAL A 32 -7.328 12.157 2.604 1.00 1.49 H new ATOM 0 HG22 VAL A 32 -6.085 12.143 1.330 1.00 1.49 H new ATOM 0 HG23 VAL A 32 -5.604 12.118 3.044 1.00 1.49 H new ATOM 484 N ASP A 33 -3.803 14.505 4.140 1.00 1.69 N ATOM 485 CA ASP A 33 -2.910 13.911 5.138 1.00 1.81 C ATOM 486 C ASP A 33 -3.463 12.533 5.550 1.00 1.75 C ATOM 487 O ASP A 33 -4.677 12.351 5.663 1.00 1.72 O ATOM 488 CB ASP A 33 -2.791 14.825 6.372 1.00 1.97 C ATOM 489 CG ASP A 33 -2.176 16.196 6.079 1.00 2.77 C ATOM 490 OD1 ASP A 33 -0.943 16.260 5.853 1.00 2.91 O ATOM 491 OD2 ASP A 33 -2.901 17.221 6.146 1.00 4.30 O ATOM 0 H ASP A 33 -4.380 15.266 4.498 1.00 1.69 H new ATOM 0 HA ASP A 33 -1.916 13.794 4.706 1.00 1.81 H new ATOM 0 HB2 ASP A 33 -3.783 14.968 6.801 1.00 1.97 H new ATOM 0 HB3 ASP A 33 -2.186 14.322 7.126 1.00 1.97 H new ATOM 496 N VAL A 34 -2.591 11.548 5.799 1.00 1.74 N ATOM 497 CA VAL A 34 -2.994 10.137 6.024 1.00 1.63 C ATOM 498 C VAL A 34 -3.807 9.901 7.322 1.00 1.61 C ATOM 499 O VAL A 34 -4.281 8.796 7.590 1.00 1.52 O ATOM 500 CB VAL A 34 -1.780 9.197 5.855 1.00 1.54 C ATOM 501 CG1 VAL A 34 -0.868 9.211 7.083 1.00 1.59 C ATOM 502 CG2 VAL A 34 -2.175 7.755 5.499 1.00 1.44 C ATOM 0 H VAL A 34 -1.583 11.698 5.852 1.00 1.74 H new ATOM 0 HA VAL A 34 -3.713 9.881 5.246 1.00 1.63 H new ATOM 0 HB VAL A 34 -1.223 9.596 5.007 1.00 1.54 H new ATOM 0 HG11 VAL A 34 -0.028 8.536 6.920 1.00 1.59 H new ATOM 0 HG12 VAL A 34 -0.495 10.222 7.247 1.00 1.59 H new ATOM 0 HG13 VAL A 34 -1.431 8.885 7.958 1.00 1.59 H new ATOM 0 HG21 VAL A 34 -1.276 7.147 5.394 1.00 1.44 H new ATOM 0 HG22 VAL A 34 -2.802 7.344 6.290 1.00 1.44 H new ATOM 0 HG23 VAL A 34 -2.727 7.751 4.559 1.00 1.44 H new ATOM 512 N GLU A 35 -4.020 10.949 8.117 1.00 1.75 N ATOM 513 CA GLU A 35 -4.942 11.028 9.263 1.00 1.81 C ATOM 514 C GLU A 35 -6.409 11.291 8.846 1.00 1.73 C ATOM 515 O GLU A 35 -7.344 10.974 9.586 1.00 1.78 O ATOM 516 CB GLU A 35 -4.436 12.186 10.138 1.00 1.95 C ATOM 517 CG GLU A 35 -5.194 12.375 11.454 1.00 2.60 C ATOM 518 CD GLU A 35 -4.739 13.637 12.182 1.00 3.38 C ATOM 519 OE1 GLU A 35 -3.516 13.835 12.397 1.00 3.34 O ATOM 520 OE2 GLU A 35 -5.604 14.463 12.563 1.00 4.77 O ATOM 0 H GLU A 35 -3.522 11.827 7.973 1.00 1.75 H new ATOM 0 HA GLU A 35 -4.950 10.073 9.788 1.00 1.81 H new ATOM 0 HB2 GLU A 35 -3.382 12.020 10.363 1.00 1.95 H new ATOM 0 HB3 GLU A 35 -4.497 13.110 9.564 1.00 1.95 H new ATOM 0 HG2 GLU A 35 -6.264 12.434 11.254 1.00 2.60 H new ATOM 0 HG3 GLU A 35 -5.037 11.507 12.094 1.00 2.60 H new ATOM 527 N LEU A 36 -6.631 11.875 7.664 1.00 1.66 N ATOM 528 CA LEU A 36 -7.920 12.425 7.206 1.00 1.64 C ATOM 529 C LEU A 36 -8.660 11.529 6.196 1.00 1.51 C ATOM 530 O LEU A 36 -9.837 11.755 5.897 1.00 1.52 O ATOM 531 CB LEU A 36 -7.659 13.831 6.631 1.00 1.73 C ATOM 532 CG LEU A 36 -6.794 14.761 7.508 1.00 1.84 C ATOM 533 CD1 LEU A 36 -6.581 16.098 6.812 1.00 1.94 C ATOM 534 CD2 LEU A 36 -7.419 15.035 8.871 1.00 1.90 C ATOM 0 H LEU A 36 -5.892 11.984 6.970 1.00 1.66 H new ATOM 0 HA LEU A 36 -8.592 12.476 8.063 1.00 1.64 H new ATOM 0 HB2 LEU A 36 -7.175 13.723 5.660 1.00 1.73 H new ATOM 0 HB3 LEU A 36 -8.619 14.316 6.456 1.00 1.73 H new ATOM 0 HG LEU A 36 -5.847 14.242 7.658 1.00 1.84 H new ATOM 0 HD11 LEU A 36 -5.969 16.743 7.443 1.00 1.94 H new ATOM 0 HD12 LEU A 36 -6.075 15.936 5.860 1.00 1.94 H new ATOM 0 HD13 LEU A 36 -7.546 16.573 6.634 1.00 1.94 H new ATOM 0 HD21 LEU A 36 -6.767 15.694 9.444 1.00 1.90 H new ATOM 0 HD22 LEU A 36 -8.390 15.512 8.737 1.00 1.90 H new ATOM 0 HD23 LEU A 36 -7.547 14.095 9.408 1.00 1.90 H new ATOM 546 N VAL A 37 -7.967 10.504 5.696 1.00 1.41 N ATOM 547 CA VAL A 37 -8.502 9.377 4.915 1.00 1.26 C ATOM 548 C VAL A 37 -8.969 8.284 5.887 1.00 1.24 C ATOM 549 O VAL A 37 -8.360 8.112 6.950 1.00 1.75 O ATOM 550 CB VAL A 37 -7.428 8.891 3.912 1.00 1.27 C ATOM 551 CG1 VAL A 37 -6.183 8.296 4.585 1.00 1.40 C ATOM 552 CG2 VAL A 37 -7.958 7.870 2.906 1.00 1.28 C ATOM 0 H VAL A 37 -6.959 10.430 5.831 1.00 1.41 H new ATOM 0 HA VAL A 37 -9.367 9.676 4.323 1.00 1.26 H new ATOM 0 HB VAL A 37 -7.146 9.803 3.386 1.00 1.27 H new ATOM 0 HG11 VAL A 37 -5.474 7.977 3.821 1.00 1.40 H new ATOM 0 HG12 VAL A 37 -5.717 9.050 5.220 1.00 1.40 H new ATOM 0 HG13 VAL A 37 -6.472 7.438 5.192 1.00 1.40 H new ATOM 0 HG21 VAL A 37 -7.154 7.571 2.233 1.00 1.28 H new ATOM 0 HG22 VAL A 37 -8.330 6.994 3.438 1.00 1.28 H new ATOM 0 HG23 VAL A 37 -8.768 8.315 2.329 1.00 1.28 H new ATOM 562 N GLN A 38 -10.043 7.559 5.571 1.00 1.04 N ATOM 563 CA GLN A 38 -10.567 6.451 6.393 1.00 0.91 C ATOM 564 C GLN A 38 -10.273 5.073 5.776 1.00 0.76 C ATOM 565 O GLN A 38 -10.064 4.955 4.566 1.00 0.80 O ATOM 566 CB GLN A 38 -12.064 6.654 6.694 1.00 1.12 C ATOM 567 CG GLN A 38 -12.979 6.699 5.460 1.00 2.64 C ATOM 568 CD GLN A 38 -14.382 6.244 5.796 1.00 3.32 C ATOM 569 OE1 GLN A 38 -14.792 5.132 5.484 1.00 4.80 O ATOM 570 NE2 GLN A 38 -15.151 7.016 6.511 1.00 2.71 N ATOM 0 H GLN A 38 -10.587 7.723 4.724 1.00 1.04 H new ATOM 0 HA GLN A 38 -10.036 6.468 7.345 1.00 0.91 H new ATOM 0 HB2 GLN A 38 -12.400 5.848 7.346 1.00 1.12 H new ATOM 0 HB3 GLN A 38 -12.184 7.584 7.249 1.00 1.12 H new ATOM 0 HG2 GLN A 38 -13.009 7.714 5.064 1.00 2.64 H new ATOM 0 HG3 GLN A 38 -12.567 6.064 4.676 1.00 2.64 H new ATOM 0 HE21 GLN A 38 -14.830 7.945 6.782 1.00 2.71 H new ATOM 0 HE22 GLN A 38 -16.074 6.691 6.799 1.00 2.71 H new ATOM 579 N ARG A 39 -10.306 4.000 6.580 1.00 0.87 N ATOM 580 CA ARG A 39 -10.009 2.605 6.157 1.00 1.29 C ATOM 581 C ARG A 39 -11.094 1.923 5.302 1.00 1.55 C ATOM 582 O ARG A 39 -11.276 0.708 5.356 1.00 2.48 O ATOM 583 CB ARG A 39 -9.534 1.785 7.366 1.00 1.64 C ATOM 584 CG ARG A 39 -10.635 1.331 8.329 1.00 1.69 C ATOM 585 CD ARG A 39 -9.981 0.887 9.638 1.00 2.03 C ATOM 586 NE ARG A 39 -10.968 0.321 10.567 1.00 2.23 N ATOM 587 CZ ARG A 39 -10.703 -0.278 11.713 1.00 3.30 C ATOM 588 NH1 ARG A 39 -9.501 -0.422 12.189 1.00 4.55 N ATOM 589 NH2 ARG A 39 -11.662 -0.768 12.435 1.00 3.48 N ATOM 0 H ARG A 39 -10.545 4.070 7.569 1.00 0.87 H new ATOM 0 HA ARG A 39 -9.187 2.659 5.443 1.00 1.29 H new ATOM 0 HB2 ARG A 39 -9.009 0.903 7.001 1.00 1.64 H new ATOM 0 HB3 ARG A 39 -8.810 2.379 7.924 1.00 1.64 H new ATOM 0 HG2 ARG A 39 -11.337 2.145 8.513 1.00 1.69 H new ATOM 0 HG3 ARG A 39 -11.205 0.511 7.893 1.00 1.69 H new ATOM 0 HD2 ARG A 39 -9.210 0.145 9.428 1.00 2.03 H new ATOM 0 HD3 ARG A 39 -9.486 1.738 10.106 1.00 2.03 H new ATOM 0 HE ARG A 39 -11.950 0.398 10.302 1.00 2.23 H new ATOM 0 HH11 ARG A 39 -8.700 -0.062 11.670 1.00 4.55 H new ATOM 0 HH12 ARG A 39 -9.359 -0.895 13.082 1.00 4.55 H new ATOM 0 HH21 ARG A 39 -12.629 -0.692 12.118 1.00 3.48 H new ATOM 0 HH22 ARG A 39 -11.450 -1.230 13.319 1.00 3.48 H new ATOM 603 N GLY A 40 -11.775 2.723 4.490 1.00 1.32 N ATOM 604 CA GLY A 40 -12.728 2.334 3.450 1.00 1.55 C ATOM 605 C GLY A 40 -12.756 3.290 2.247 1.00 1.36 C ATOM 606 O GLY A 40 -13.722 3.270 1.487 1.00 1.50 O ATOM 0 H GLY A 40 -11.670 3.736 4.543 1.00 1.32 H new ATOM 0 HA2 GLY A 40 -12.481 1.332 3.100 1.00 1.55 H new ATOM 0 HA3 GLY A 40 -13.726 2.283 3.885 1.00 1.55 H new ATOM 610 N ASP A 41 -11.748 4.153 2.082 1.00 1.20 N ATOM 611 CA ASP A 41 -11.627 5.053 0.924 1.00 1.11 C ATOM 612 C ASP A 41 -11.014 4.366 -0.322 1.00 0.89 C ATOM 613 O ASP A 41 -10.332 3.339 -0.227 1.00 0.93 O ATOM 614 CB ASP A 41 -10.857 6.330 1.320 1.00 1.21 C ATOM 615 CG ASP A 41 -11.718 7.378 2.042 1.00 1.43 C ATOM 616 OD1 ASP A 41 -12.853 7.671 1.594 1.00 1.80 O ATOM 617 OD2 ASP A 41 -11.254 8.034 3.000 1.00 2.35 O ATOM 0 H ASP A 41 -10.985 4.249 2.753 1.00 1.20 H new ATOM 0 HA ASP A 41 -12.637 5.336 0.627 1.00 1.11 H new ATOM 0 HB2 ASP A 41 -10.022 6.054 1.964 1.00 1.21 H new ATOM 0 HB3 ASP A 41 -10.432 6.779 0.422 1.00 1.21 H new ATOM 622 N ILE A 42 -11.276 4.943 -1.504 1.00 0.77 N ATOM 623 CA ILE A 42 -10.930 4.383 -2.824 1.00 0.59 C ATOM 624 C ILE A 42 -9.760 5.128 -3.486 1.00 0.41 C ATOM 625 O ILE A 42 -9.810 6.348 -3.667 1.00 0.50 O ATOM 626 CB ILE A 42 -12.179 4.385 -3.732 1.00 0.96 C ATOM 627 CG1 ILE A 42 -13.350 3.562 -3.145 1.00 1.20 C ATOM 628 CG2 ILE A 42 -11.833 3.886 -5.146 1.00 1.09 C ATOM 629 CD1 ILE A 42 -13.058 2.081 -2.859 1.00 1.69 C ATOM 0 H ILE A 42 -11.751 5.843 -1.572 1.00 0.77 H new ATOM 0 HA ILE A 42 -10.595 3.356 -2.677 1.00 0.59 H new ATOM 0 HB ILE A 42 -12.513 5.421 -3.791 1.00 0.96 H new ATOM 0 HG12 ILE A 42 -13.670 4.034 -2.216 1.00 1.20 H new ATOM 0 HG13 ILE A 42 -14.190 3.619 -3.837 1.00 1.20 H new ATOM 0 HG21 ILE A 42 -12.730 3.897 -5.765 1.00 1.09 H new ATOM 0 HG22 ILE A 42 -11.079 4.538 -5.587 1.00 1.09 H new ATOM 0 HG23 ILE A 42 -11.445 2.869 -5.088 1.00 1.09 H new ATOM 0 HD11 ILE A 42 -13.950 1.606 -2.451 1.00 1.69 H new ATOM 0 HD12 ILE A 42 -12.772 1.581 -3.785 1.00 1.69 H new ATOM 0 HD13 ILE A 42 -12.244 2.003 -2.138 1.00 1.69 H new ATOM 641 N ILE A 43 -8.716 4.382 -3.877 1.00 0.40 N ATOM 642 CA ILE A 43 -7.423 4.916 -4.329 1.00 0.57 C ATOM 643 C ILE A 43 -7.019 4.334 -5.702 1.00 0.75 C ATOM 644 O ILE A 43 -6.791 3.131 -5.845 1.00 0.79 O ATOM 645 CB ILE A 43 -6.348 4.560 -3.266 1.00 0.67 C ATOM 646 CG1 ILE A 43 -6.742 4.849 -1.797 1.00 0.68 C ATOM 647 CG2 ILE A 43 -5.000 5.226 -3.580 1.00 0.91 C ATOM 648 CD1 ILE A 43 -6.976 6.318 -1.419 1.00 0.82 C ATOM 0 H ILE A 43 -8.749 3.363 -3.888 1.00 0.40 H new ATOM 0 HA ILE A 43 -7.506 5.997 -4.444 1.00 0.57 H new ATOM 0 HB ILE A 43 -6.260 3.476 -3.343 1.00 0.67 H new ATOM 0 HG12 ILE A 43 -7.652 4.292 -1.573 1.00 0.68 H new ATOM 0 HG13 ILE A 43 -5.959 4.453 -1.151 1.00 0.68 H new ATOM 0 HG21 ILE A 43 -4.273 4.954 -2.815 1.00 0.91 H new ATOM 0 HG22 ILE A 43 -4.645 4.888 -4.554 1.00 0.91 H new ATOM 0 HG23 ILE A 43 -5.124 6.309 -3.594 1.00 0.91 H new ATOM 0 HD11 ILE A 43 -7.245 6.384 -0.365 1.00 0.82 H new ATOM 0 HD12 ILE A 43 -6.065 6.889 -1.597 1.00 0.82 H new ATOM 0 HD13 ILE A 43 -7.784 6.726 -2.026 1.00 0.82 H new ATOM 660 N LYS A 44 -6.858 5.186 -6.720 1.00 1.04 N ATOM 661 CA LYS A 44 -6.270 4.831 -8.033 1.00 1.23 C ATOM 662 C LYS A 44 -4.740 4.937 -7.977 1.00 1.26 C ATOM 663 O LYS A 44 -4.214 6.021 -7.714 1.00 1.52 O ATOM 664 CB LYS A 44 -6.851 5.758 -9.125 1.00 1.45 C ATOM 665 CG LYS A 44 -8.244 5.343 -9.638 1.00 2.76 C ATOM 666 CD LYS A 44 -8.147 4.259 -10.724 1.00 3.21 C ATOM 667 CE LYS A 44 -9.503 3.771 -11.255 1.00 3.43 C ATOM 668 NZ LYS A 44 -10.258 4.807 -11.994 1.00 3.63 N ATOM 0 H LYS A 44 -7.136 6.165 -6.661 1.00 1.04 H new ATOM 0 HA LYS A 44 -6.525 3.800 -8.278 1.00 1.23 H new ATOM 0 HB2 LYS A 44 -6.910 6.772 -8.730 1.00 1.45 H new ATOM 0 HB3 LYS A 44 -6.160 5.784 -9.968 1.00 1.45 H new ATOM 0 HG2 LYS A 44 -8.843 4.973 -8.806 1.00 2.76 H new ATOM 0 HG3 LYS A 44 -8.760 6.216 -10.039 1.00 2.76 H new ATOM 0 HD2 LYS A 44 -7.563 4.648 -11.558 1.00 3.21 H new ATOM 0 HD3 LYS A 44 -7.600 3.407 -10.322 1.00 3.21 H new ATOM 0 HE2 LYS A 44 -9.340 2.915 -11.910 1.00 3.43 H new ATOM 0 HE3 LYS A 44 -10.107 3.421 -10.418 1.00 3.43 H new ATOM 0 HZ1 LYS A 44 -11.161 4.410 -12.323 1.00 3.63 H new ATOM 0 HZ2 LYS A 44 -10.443 5.615 -11.366 1.00 3.63 H new ATOM 0 HZ3 LYS A 44 -9.701 5.125 -12.813 1.00 3.63 H new ATOM 682 N VAL A 45 -4.010 3.846 -8.230 1.00 1.12 N ATOM 683 CA VAL A 45 -2.530 3.836 -8.199 1.00 1.06 C ATOM 684 C VAL A 45 -1.931 4.003 -9.598 1.00 1.06 C ATOM 685 O VAL A 45 -2.427 3.418 -10.567 1.00 1.08 O ATOM 686 CB VAL A 45 -1.975 2.613 -7.436 1.00 0.94 C ATOM 687 CG1 VAL A 45 -2.284 1.285 -8.124 1.00 1.01 C ATOM 688 CG2 VAL A 45 -0.460 2.678 -7.200 1.00 1.02 C ATOM 0 H VAL A 45 -4.421 2.942 -8.463 1.00 1.12 H new ATOM 0 HA VAL A 45 -2.208 4.708 -7.630 1.00 1.06 H new ATOM 0 HB VAL A 45 -2.491 2.656 -6.477 1.00 0.94 H new ATOM 0 HG11 VAL A 45 -1.867 0.466 -7.538 1.00 1.01 H new ATOM 0 HG12 VAL A 45 -3.364 1.160 -8.206 1.00 1.01 H new ATOM 0 HG13 VAL A 45 -1.842 1.280 -9.120 1.00 1.01 H new ATOM 0 HG21 VAL A 45 -0.137 1.788 -6.659 1.00 1.02 H new ATOM 0 HG22 VAL A 45 0.056 2.727 -8.159 1.00 1.02 H new ATOM 0 HG23 VAL A 45 -0.221 3.565 -6.614 1.00 1.02 H new ATOM 698 N VAL A 46 -0.871 4.811 -9.700 1.00 1.05 N ATOM 699 CA VAL A 46 -0.164 5.114 -10.960 1.00 1.03 C ATOM 700 C VAL A 46 0.948 4.100 -11.281 1.00 1.08 C ATOM 701 O VAL A 46 1.577 3.573 -10.355 1.00 0.95 O ATOM 702 CB VAL A 46 0.406 6.551 -10.974 1.00 1.04 C ATOM 703 CG1 VAL A 46 -0.714 7.569 -10.744 1.00 1.07 C ATOM 704 CG2 VAL A 46 1.532 6.789 -9.957 1.00 1.10 C ATOM 0 H VAL A 46 -0.467 5.286 -8.893 1.00 1.05 H new ATOM 0 HA VAL A 46 -0.918 5.034 -11.743 1.00 1.03 H new ATOM 0 HB VAL A 46 0.848 6.683 -11.962 1.00 1.04 H new ATOM 0 HG11 VAL A 46 -0.298 8.576 -10.756 1.00 1.07 H new ATOM 0 HG12 VAL A 46 -1.459 7.474 -11.534 1.00 1.07 H new ATOM 0 HG13 VAL A 46 -1.183 7.382 -9.778 1.00 1.07 H new ATOM 0 HG21 VAL A 46 1.877 7.820 -10.031 1.00 1.10 H new ATOM 0 HG22 VAL A 46 1.158 6.602 -8.950 1.00 1.10 H new ATOM 0 HG23 VAL A 46 2.361 6.113 -10.167 1.00 1.10 H new ATOM 714 N PRO A 47 1.255 3.860 -12.573 1.00 1.30 N ATOM 715 CA PRO A 47 2.421 3.079 -12.976 1.00 1.44 C ATOM 716 C PRO A 47 3.719 3.717 -12.458 1.00 1.46 C ATOM 717 O PRO A 47 3.854 4.943 -12.393 1.00 1.50 O ATOM 718 CB PRO A 47 2.377 3.017 -14.506 1.00 1.72 C ATOM 719 CG PRO A 47 1.628 4.294 -14.878 1.00 1.27 C ATOM 720 CD PRO A 47 0.606 4.414 -13.754 1.00 1.37 C ATOM 0 HA PRO A 47 2.402 2.076 -12.551 1.00 1.44 H new ATOM 0 HB2 PRO A 47 3.377 2.995 -14.938 1.00 1.72 H new ATOM 0 HB3 PRO A 47 1.857 2.126 -14.859 1.00 1.72 H new ATOM 0 HG2 PRO A 47 2.292 5.158 -14.917 1.00 1.27 H new ATOM 0 HG3 PRO A 47 1.150 4.215 -15.855 1.00 1.27 H new ATOM 0 HD2 PRO A 47 0.321 5.454 -13.593 1.00 1.37 H new ATOM 0 HD3 PRO A 47 -0.306 3.867 -13.993 1.00 1.37 H new ATOM 728 N GLY A 48 4.677 2.883 -12.056 1.00 1.53 N ATOM 729 CA GLY A 48 5.974 3.330 -11.532 1.00 1.72 C ATOM 730 C GLY A 48 5.967 3.863 -10.087 1.00 1.60 C ATOM 731 O GLY A 48 7.041 4.029 -9.503 1.00 1.91 O ATOM 0 H GLY A 48 4.577 1.868 -12.084 1.00 1.53 H new ATOM 0 HA2 GLY A 48 6.674 2.496 -11.588 1.00 1.72 H new ATOM 0 HA3 GLY A 48 6.358 4.113 -12.186 1.00 1.72 H new ATOM 735 N GLY A 49 4.795 4.138 -9.501 1.00 1.27 N ATOM 736 CA GLY A 49 4.645 4.740 -8.169 1.00 1.29 C ATOM 737 C GLY A 49 4.847 3.777 -6.989 1.00 1.26 C ATOM 738 O GLY A 49 5.207 2.612 -7.158 1.00 1.44 O ATOM 0 H GLY A 49 3.901 3.943 -9.952 1.00 1.27 H new ATOM 0 HA2 GLY A 49 5.359 5.559 -8.075 1.00 1.29 H new ATOM 0 HA3 GLY A 49 3.649 5.176 -8.095 1.00 1.29 H new ATOM 742 N LYS A 50 4.567 4.262 -5.773 1.00 1.20 N ATOM 743 CA LYS A 50 4.528 3.464 -4.531 1.00 1.13 C ATOM 744 C LYS A 50 3.106 3.379 -3.961 1.00 1.21 C ATOM 745 O LYS A 50 2.265 4.232 -4.257 1.00 1.58 O ATOM 746 CB LYS A 50 5.509 4.026 -3.485 1.00 1.14 C ATOM 747 CG LYS A 50 6.965 4.117 -3.967 1.00 1.16 C ATOM 748 CD LYS A 50 7.884 4.505 -2.800 1.00 1.13 C ATOM 749 CE LYS A 50 9.328 4.695 -3.273 1.00 1.23 C ATOM 750 NZ LYS A 50 10.251 4.817 -2.121 1.00 1.75 N ATOM 0 H LYS A 50 4.355 5.247 -5.616 1.00 1.20 H new ATOM 0 HA LYS A 50 4.842 2.451 -4.781 1.00 1.13 H new ATOM 0 HB2 LYS A 50 5.174 5.020 -3.188 1.00 1.14 H new ATOM 0 HB3 LYS A 50 5.472 3.398 -2.595 1.00 1.14 H new ATOM 0 HG2 LYS A 50 7.279 3.160 -4.384 1.00 1.16 H new ATOM 0 HG3 LYS A 50 7.047 4.855 -4.765 1.00 1.16 H new ATOM 0 HD2 LYS A 50 7.525 5.426 -2.341 1.00 1.13 H new ATOM 0 HD3 LYS A 50 7.848 3.732 -2.033 1.00 1.13 H new ATOM 0 HE2 LYS A 50 9.625 3.850 -3.894 1.00 1.23 H new ATOM 0 HE3 LYS A 50 9.397 5.588 -3.895 1.00 1.23 H new ATOM 0 HZ1 LYS A 50 11.223 4.945 -2.467 1.00 1.75 H new ATOM 0 HZ2 LYS A 50 9.978 5.638 -1.543 1.00 1.75 H new ATOM 0 HZ3 LYS A 50 10.200 3.954 -1.543 1.00 1.75 H new ATOM 764 N PHE A 51 2.838 2.362 -3.139 1.00 1.03 N ATOM 765 CA PHE A 51 1.549 2.167 -2.456 1.00 1.06 C ATOM 766 C PHE A 51 1.541 2.838 -1.059 1.00 1.11 C ATOM 767 O PHE A 51 2.410 2.509 -0.250 1.00 1.09 O ATOM 768 CB PHE A 51 1.256 0.661 -2.344 1.00 1.00 C ATOM 769 CG PHE A 51 0.945 -0.031 -3.662 1.00 0.89 C ATOM 770 CD1 PHE A 51 1.984 -0.538 -4.467 1.00 2.43 C ATOM 771 CD2 PHE A 51 -0.389 -0.184 -4.084 1.00 1.77 C ATOM 772 CE1 PHE A 51 1.698 -1.176 -5.686 1.00 2.40 C ATOM 773 CE2 PHE A 51 -0.677 -0.832 -5.299 1.00 1.75 C ATOM 774 CZ PHE A 51 0.365 -1.324 -6.104 1.00 0.76 C ATOM 0 H PHE A 51 3.521 1.636 -2.923 1.00 1.03 H new ATOM 0 HA PHE A 51 0.765 2.644 -3.044 1.00 1.06 H new ATOM 0 HB2 PHE A 51 2.116 0.171 -1.888 1.00 1.00 H new ATOM 0 HB3 PHE A 51 0.413 0.519 -1.668 1.00 1.00 H new ATOM 0 HD1 PHE A 51 3.010 -0.435 -4.144 1.00 2.43 H new ATOM 0 HD2 PHE A 51 -1.194 0.197 -3.473 1.00 1.77 H new ATOM 0 HE1 PHE A 51 2.502 -1.552 -6.301 1.00 2.40 H new ATOM 0 HE2 PHE A 51 -1.703 -0.952 -5.615 1.00 1.75 H new ATOM 0 HZ PHE A 51 0.142 -1.814 -7.040 1.00 0.76 H new ATOM 784 N PRO A 52 0.580 3.731 -0.726 1.00 1.18 N ATOM 785 CA PRO A 52 0.567 4.467 0.549 1.00 1.21 C ATOM 786 C PRO A 52 -0.241 3.807 1.688 1.00 1.22 C ATOM 787 O PRO A 52 -0.110 4.217 2.838 1.00 1.28 O ATOM 788 CB PRO A 52 -0.011 5.839 0.191 1.00 1.37 C ATOM 789 CG PRO A 52 -1.020 5.507 -0.907 1.00 1.41 C ATOM 790 CD PRO A 52 -0.350 4.355 -1.662 1.00 1.28 C ATOM 0 HA PRO A 52 1.576 4.502 0.959 1.00 1.21 H new ATOM 0 HB2 PRO A 52 -0.488 6.313 1.049 1.00 1.37 H new ATOM 0 HB3 PRO A 52 0.761 6.523 -0.162 1.00 1.37 H new ATOM 0 HG2 PRO A 52 -1.983 5.210 -0.492 1.00 1.41 H new ATOM 0 HG3 PRO A 52 -1.203 6.362 -1.558 1.00 1.41 H new ATOM 0 HD2 PRO A 52 -1.092 3.636 -2.009 1.00 1.28 H new ATOM 0 HD3 PRO A 52 0.175 4.723 -2.544 1.00 1.28 H new ATOM 798 N VAL A 53 -1.072 2.802 1.397 1.00 1.20 N ATOM 799 CA VAL A 53 -1.894 2.029 2.357 1.00 1.22 C ATOM 800 C VAL A 53 -2.079 0.597 1.834 1.00 1.12 C ATOM 801 O VAL A 53 -1.846 0.350 0.649 1.00 1.09 O ATOM 802 CB VAL A 53 -3.274 2.670 2.645 1.00 1.34 C ATOM 803 CG1 VAL A 53 -3.186 3.757 3.722 1.00 1.26 C ATOM 804 CG2 VAL A 53 -3.947 3.273 1.409 1.00 1.50 C ATOM 0 H VAL A 53 -1.203 2.482 0.437 1.00 1.20 H new ATOM 0 HA VAL A 53 -1.355 2.025 3.304 1.00 1.22 H new ATOM 0 HB VAL A 53 -3.887 1.840 2.995 1.00 1.34 H new ATOM 0 HG11 VAL A 53 -4.176 4.180 3.893 1.00 1.26 H new ATOM 0 HG12 VAL A 53 -2.812 3.322 4.649 1.00 1.26 H new ATOM 0 HG13 VAL A 53 -2.507 4.543 3.391 1.00 1.26 H new ATOM 0 HG21 VAL A 53 -4.908 3.702 1.691 1.00 1.50 H new ATOM 0 HG22 VAL A 53 -3.310 4.053 0.992 1.00 1.50 H new ATOM 0 HG23 VAL A 53 -4.103 2.494 0.663 1.00 1.50 H new ATOM 814 N ASP A 54 -2.470 -0.353 2.694 1.00 1.11 N ATOM 815 CA ASP A 54 -2.767 -1.733 2.277 1.00 1.03 C ATOM 816 C ASP A 54 -4.266 -1.944 1.972 1.00 0.97 C ATOM 817 O ASP A 54 -5.149 -1.420 2.661 1.00 0.98 O ATOM 818 CB ASP A 54 -2.098 -2.774 3.197 1.00 1.14 C ATOM 819 CG ASP A 54 -2.846 -3.192 4.459 1.00 1.16 C ATOM 820 OD1 ASP A 54 -3.684 -4.122 4.351 1.00 1.55 O ATOM 821 OD2 ASP A 54 -2.477 -2.739 5.564 1.00 2.09 O ATOM 0 H ASP A 54 -2.589 -0.190 3.694 1.00 1.11 H new ATOM 0 HA ASP A 54 -2.293 -1.911 1.312 1.00 1.03 H new ATOM 0 HB2 ASP A 54 -1.909 -3.671 2.607 1.00 1.14 H new ATOM 0 HB3 ASP A 54 -1.127 -2.380 3.498 1.00 1.14 H new ATOM 826 N GLY A 55 -4.546 -2.669 0.884 1.00 0.98 N ATOM 827 CA GLY A 55 -5.886 -2.796 0.308 1.00 1.01 C ATOM 828 C GLY A 55 -6.027 -3.905 -0.743 1.00 0.70 C ATOM 829 O GLY A 55 -5.057 -4.579 -1.109 1.00 0.78 O ATOM 0 H GLY A 55 -3.836 -3.192 0.372 1.00 0.98 H new ATOM 0 HA2 GLY A 55 -6.597 -2.984 1.113 1.00 1.01 H new ATOM 0 HA3 GLY A 55 -6.163 -1.845 -0.147 1.00 1.01 H new ATOM 833 N ARG A 56 -7.253 -4.079 -1.244 1.00 0.51 N ATOM 834 CA ARG A 56 -7.618 -5.070 -2.273 1.00 0.53 C ATOM 835 C ARG A 56 -7.737 -4.425 -3.661 1.00 0.56 C ATOM 836 O ARG A 56 -8.112 -3.263 -3.785 1.00 0.57 O ATOM 837 CB ARG A 56 -8.854 -5.861 -1.799 1.00 0.72 C ATOM 838 CG ARG A 56 -9.059 -7.172 -2.575 1.00 0.89 C ATOM 839 CD ARG A 56 -10.026 -8.153 -1.900 1.00 1.22 C ATOM 840 NE ARG A 56 -9.478 -8.726 -0.653 1.00 3.05 N ATOM 841 CZ ARG A 56 -9.157 -9.989 -0.420 1.00 4.47 C ATOM 842 NH1 ARG A 56 -9.375 -10.956 -1.264 1.00 4.64 N ATOM 843 NH2 ARG A 56 -8.571 -10.325 0.690 1.00 6.28 N ATOM 0 H ARG A 56 -8.048 -3.518 -0.938 1.00 0.51 H new ATOM 0 HA ARG A 56 -6.820 -5.802 -2.401 1.00 0.53 H new ATOM 0 HB2 ARG A 56 -8.750 -6.086 -0.737 1.00 0.72 H new ATOM 0 HB3 ARG A 56 -9.742 -5.238 -1.908 1.00 0.72 H new ATOM 0 HG2 ARG A 56 -9.433 -6.937 -3.572 1.00 0.89 H new ATOM 0 HG3 ARG A 56 -8.093 -7.661 -2.704 1.00 0.89 H new ATOM 0 HD2 ARG A 56 -10.962 -7.640 -1.679 1.00 1.22 H new ATOM 0 HD3 ARG A 56 -10.261 -8.960 -2.594 1.00 1.22 H new ATOM 0 HE ARG A 56 -9.330 -8.073 0.117 1.00 3.05 H new ATOM 0 HH11 ARG A 56 -9.816 -10.759 -2.162 1.00 4.64 H new ATOM 0 HH12 ARG A 56 -9.105 -11.911 -1.027 1.00 4.64 H new ATOM 0 HH21 ARG A 56 -8.355 -9.614 1.389 1.00 6.28 H new ATOM 0 HH22 ARG A 56 -8.327 -11.300 0.863 1.00 6.28 H new ATOM 857 N VAL A 57 -7.371 -5.174 -4.700 1.00 0.74 N ATOM 858 CA VAL A 57 -7.280 -4.756 -6.109 1.00 0.85 C ATOM 859 C VAL A 57 -8.513 -5.249 -6.857 1.00 0.88 C ATOM 860 O VAL A 57 -8.789 -6.448 -6.835 1.00 0.92 O ATOM 861 CB VAL A 57 -6.033 -5.366 -6.785 1.00 1.02 C ATOM 862 CG1 VAL A 57 -5.896 -4.890 -8.235 1.00 1.17 C ATOM 863 CG2 VAL A 57 -4.730 -5.033 -6.048 1.00 1.06 C ATOM 0 H VAL A 57 -7.112 -6.153 -4.578 1.00 0.74 H new ATOM 0 HA VAL A 57 -7.211 -3.669 -6.140 1.00 0.85 H new ATOM 0 HB VAL A 57 -6.187 -6.445 -6.752 1.00 1.02 H new ATOM 0 HG11 VAL A 57 -5.008 -5.337 -8.682 1.00 1.17 H new ATOM 0 HG12 VAL A 57 -6.778 -5.189 -8.801 1.00 1.17 H new ATOM 0 HG13 VAL A 57 -5.804 -3.804 -8.254 1.00 1.17 H new ATOM 0 HG21 VAL A 57 -3.889 -5.489 -6.571 1.00 1.06 H new ATOM 0 HG22 VAL A 57 -4.595 -3.952 -6.018 1.00 1.06 H new ATOM 0 HG23 VAL A 57 -4.778 -5.421 -5.030 1.00 1.06 H new ATOM 873 N ILE A 58 -9.231 -4.361 -7.548 1.00 0.88 N ATOM 874 CA ILE A 58 -10.494 -4.719 -8.229 1.00 0.95 C ATOM 875 C ILE A 58 -10.677 -4.046 -9.603 1.00 1.09 C ATOM 876 O ILE A 58 -11.797 -3.882 -10.089 1.00 1.17 O ATOM 877 CB ILE A 58 -11.687 -4.441 -7.268 1.00 0.84 C ATOM 878 CG1 ILE A 58 -11.472 -3.130 -6.475 1.00 0.80 C ATOM 879 CG2 ILE A 58 -11.891 -5.626 -6.309 1.00 0.88 C ATOM 880 CD1 ILE A 58 -12.734 -2.579 -5.806 1.00 0.81 C ATOM 0 H ILE A 58 -8.964 -3.382 -7.656 1.00 0.88 H new ATOM 0 HA ILE A 58 -10.456 -5.784 -8.460 1.00 0.95 H new ATOM 0 HB ILE A 58 -12.587 -4.323 -7.872 1.00 0.84 H new ATOM 0 HG12 ILE A 58 -10.716 -3.303 -5.709 1.00 0.80 H new ATOM 0 HG13 ILE A 58 -11.074 -2.373 -7.150 1.00 0.80 H new ATOM 0 HG21 ILE A 58 -12.729 -5.416 -5.644 1.00 0.88 H new ATOM 0 HG22 ILE A 58 -12.102 -6.528 -6.884 1.00 0.88 H new ATOM 0 HG23 ILE A 58 -10.987 -5.776 -5.718 1.00 0.88 H new ATOM 0 HD11 ILE A 58 -12.491 -1.660 -5.273 1.00 0.81 H new ATOM 0 HD12 ILE A 58 -13.487 -2.370 -6.566 1.00 0.81 H new ATOM 0 HD13 ILE A 58 -13.124 -3.315 -5.102 1.00 0.81 H new ATOM 892 N GLU A 59 -9.576 -3.759 -10.299 1.00 1.15 N ATOM 893 CA GLU A 59 -9.502 -3.388 -11.718 1.00 1.36 C ATOM 894 C GLU A 59 -8.030 -3.386 -12.163 1.00 1.35 C ATOM 895 O GLU A 59 -7.168 -2.985 -11.378 1.00 1.34 O ATOM 896 CB GLU A 59 -10.096 -1.990 -11.964 1.00 1.47 C ATOM 897 CG GLU A 59 -10.576 -1.768 -13.407 1.00 1.76 C ATOM 898 CD GLU A 59 -11.861 -2.527 -13.792 1.00 2.82 C ATOM 899 OE1 GLU A 59 -11.820 -3.772 -13.961 1.00 3.90 O ATOM 900 OE2 GLU A 59 -12.926 -1.876 -13.945 1.00 3.50 O ATOM 0 H GLU A 59 -8.654 -3.780 -9.863 1.00 1.15 H new ATOM 0 HA GLU A 59 -10.078 -4.115 -12.290 1.00 1.36 H new ATOM 0 HB2 GLU A 59 -10.934 -1.836 -11.284 1.00 1.47 H new ATOM 0 HB3 GLU A 59 -9.346 -1.238 -11.720 1.00 1.47 H new ATOM 0 HG2 GLU A 59 -10.743 -0.702 -13.558 1.00 1.76 H new ATOM 0 HG3 GLU A 59 -9.779 -2.065 -14.088 1.00 1.76 H new ATOM 907 N GLY A 60 -7.752 -3.746 -13.418 1.00 1.33 N ATOM 908 CA GLY A 60 -6.441 -3.589 -14.054 1.00 1.29 C ATOM 909 C GLY A 60 -5.451 -4.733 -13.802 1.00 1.23 C ATOM 910 O GLY A 60 -5.775 -5.762 -13.210 1.00 1.29 O ATOM 0 H GLY A 60 -8.448 -4.165 -14.035 1.00 1.33 H new ATOM 0 HA2 GLY A 60 -6.587 -3.486 -15.129 1.00 1.29 H new ATOM 0 HA3 GLY A 60 -5.994 -2.659 -13.703 1.00 1.29 H new ATOM 914 N HIS A 61 -4.220 -4.538 -14.278 1.00 1.14 N ATOM 915 CA HIS A 61 -3.150 -5.541 -14.242 1.00 1.08 C ATOM 916 C HIS A 61 -1.768 -4.872 -14.151 1.00 0.98 C ATOM 917 O HIS A 61 -1.381 -4.091 -15.019 1.00 1.18 O ATOM 918 CB HIS A 61 -3.272 -6.500 -15.446 1.00 1.20 C ATOM 919 CG HIS A 61 -3.507 -5.854 -16.795 1.00 1.36 C ATOM 920 ND1 HIS A 61 -4.732 -5.560 -17.353 1.00 2.21 N ATOM 921 CD2 HIS A 61 -2.555 -5.491 -17.710 1.00 1.72 C ATOM 922 CE1 HIS A 61 -4.523 -5.003 -18.559 1.00 2.24 C ATOM 923 NE2 HIS A 61 -3.205 -4.935 -18.824 1.00 1.87 N ATOM 0 H HIS A 61 -3.931 -3.660 -14.709 1.00 1.14 H new ATOM 0 HA HIS A 61 -3.259 -6.143 -13.340 1.00 1.08 H new ATOM 0 HB2 HIS A 61 -2.360 -7.094 -15.505 1.00 1.20 H new ATOM 0 HB3 HIS A 61 -4.091 -7.193 -15.251 1.00 1.20 H new ATOM 0 HD2 HIS A 61 -1.488 -5.612 -17.595 1.00 1.72 H new ATOM 0 HE1 HIS A 61 -5.303 -4.659 -19.222 1.00 2.24 H new ATOM 0 HE2 HIS A 61 -2.767 -4.556 -19.664 1.00 1.87 H new ATOM 931 N SER A 62 -1.034 -5.151 -13.069 1.00 0.92 N ATOM 932 CA SER A 62 0.275 -4.550 -12.749 1.00 0.79 C ATOM 933 C SER A 62 1.235 -5.557 -12.108 1.00 0.70 C ATOM 934 O SER A 62 0.803 -6.606 -11.626 1.00 0.81 O ATOM 935 CB SER A 62 0.064 -3.318 -11.852 1.00 0.95 C ATOM 936 OG SER A 62 1.256 -2.693 -11.443 1.00 1.59 O ATOM 0 H SER A 62 -1.340 -5.823 -12.365 1.00 0.92 H new ATOM 0 HA SER A 62 0.747 -4.237 -13.680 1.00 0.79 H new ATOM 0 HB2 SER A 62 -0.548 -2.593 -12.388 1.00 0.95 H new ATOM 0 HB3 SER A 62 -0.498 -3.618 -10.968 1.00 0.95 H new ATOM 0 HG SER A 62 1.751 -2.385 -12.231 1.00 1.59 H new ATOM 942 N MET A 63 2.531 -5.235 -12.076 1.00 0.63 N ATOM 943 CA MET A 63 3.576 -6.018 -11.414 1.00 0.59 C ATOM 944 C MET A 63 4.200 -5.214 -10.260 1.00 0.56 C ATOM 945 O MET A 63 4.586 -4.054 -10.432 1.00 0.66 O ATOM 946 CB MET A 63 4.589 -6.478 -12.467 1.00 0.64 C ATOM 947 CG MET A 63 5.703 -7.334 -11.861 1.00 0.66 C ATOM 948 SD MET A 63 6.607 -8.323 -13.080 1.00 0.79 S ATOM 949 CE MET A 63 5.452 -9.711 -13.259 1.00 0.79 C ATOM 0 H MET A 63 2.893 -4.394 -12.525 1.00 0.63 H new ATOM 0 HA MET A 63 3.158 -6.913 -10.953 1.00 0.59 H new ATOM 0 HB2 MET A 63 4.074 -7.049 -13.240 1.00 0.64 H new ATOM 0 HB3 MET A 63 5.027 -5.606 -12.953 1.00 0.64 H new ATOM 0 HG2 MET A 63 6.406 -6.684 -11.340 1.00 0.66 H new ATOM 0 HG3 MET A 63 5.272 -8.000 -11.114 1.00 0.66 H new ATOM 0 HE1 MET A 63 5.851 -10.426 -13.979 1.00 0.79 H new ATOM 0 HE2 MET A 63 5.321 -10.202 -12.295 1.00 0.79 H new ATOM 0 HE3 MET A 63 4.489 -9.340 -13.611 1.00 0.79 H new ATOM 959 N VAL A 64 4.277 -5.843 -9.083 1.00 0.50 N ATOM 960 CA VAL A 64 4.616 -5.217 -7.792 1.00 0.48 C ATOM 961 C VAL A 64 5.851 -5.859 -7.147 1.00 0.51 C ATOM 962 O VAL A 64 6.054 -7.072 -7.214 1.00 0.61 O ATOM 963 CB VAL A 64 3.395 -5.253 -6.841 1.00 0.48 C ATOM 964 CG1 VAL A 64 3.649 -4.552 -5.498 1.00 0.48 C ATOM 965 CG2 VAL A 64 2.172 -4.569 -7.476 1.00 0.55 C ATOM 0 H VAL A 64 4.098 -6.843 -8.995 1.00 0.50 H new ATOM 0 HA VAL A 64 4.873 -4.175 -7.983 1.00 0.48 H new ATOM 0 HB VAL A 64 3.212 -6.313 -6.666 1.00 0.48 H new ATOM 0 HG11 VAL A 64 2.753 -4.614 -4.880 1.00 0.48 H new ATOM 0 HG12 VAL A 64 4.478 -5.038 -4.985 1.00 0.48 H new ATOM 0 HG13 VAL A 64 3.896 -3.505 -5.675 1.00 0.48 H new ATOM 0 HG21 VAL A 64 1.331 -4.611 -6.783 1.00 0.55 H new ATOM 0 HG22 VAL A 64 2.410 -3.528 -7.695 1.00 0.55 H new ATOM 0 HG23 VAL A 64 1.907 -5.083 -8.400 1.00 0.55 H new ATOM 975 N ASP A 65 6.668 -5.033 -6.495 1.00 0.49 N ATOM 976 CA ASP A 65 7.906 -5.405 -5.801 1.00 0.52 C ATOM 977 C ASP A 65 7.680 -5.538 -4.283 1.00 0.56 C ATOM 978 O ASP A 65 7.812 -4.568 -3.533 1.00 0.73 O ATOM 979 CB ASP A 65 8.950 -4.338 -6.162 1.00 0.57 C ATOM 980 CG ASP A 65 10.321 -4.539 -5.524 1.00 0.68 C ATOM 981 OD1 ASP A 65 10.742 -5.694 -5.287 1.00 1.45 O ATOM 982 OD2 ASP A 65 11.028 -3.526 -5.321 1.00 1.80 O ATOM 0 H ASP A 65 6.477 -4.033 -6.432 1.00 0.49 H new ATOM 0 HA ASP A 65 8.260 -6.386 -6.117 1.00 0.52 H new ATOM 0 HB2 ASP A 65 9.069 -4.319 -7.245 1.00 0.57 H new ATOM 0 HB3 ASP A 65 8.567 -3.361 -5.866 1.00 0.57 H new ATOM 987 N GLU A 66 7.331 -6.744 -3.819 1.00 0.62 N ATOM 988 CA GLU A 66 6.980 -7.040 -2.412 1.00 0.67 C ATOM 989 C GLU A 66 8.193 -7.452 -1.539 1.00 0.58 C ATOM 990 O GLU A 66 8.011 -7.920 -0.406 1.00 0.63 O ATOM 991 CB GLU A 66 5.870 -8.117 -2.333 1.00 0.89 C ATOM 992 CG GLU A 66 4.717 -7.941 -3.332 1.00 0.89 C ATOM 993 CD GLU A 66 3.460 -8.738 -2.951 1.00 0.96 C ATOM 994 OE1 GLU A 66 3.545 -9.965 -2.708 1.00 1.73 O ATOM 995 OE2 GLU A 66 2.349 -8.154 -2.935 1.00 2.32 O ATOM 0 H GLU A 66 7.282 -7.566 -4.421 1.00 0.62 H new ATOM 0 HA GLU A 66 6.607 -6.103 -1.998 1.00 0.67 H new ATOM 0 HB2 GLU A 66 6.323 -9.095 -2.494 1.00 0.89 H new ATOM 0 HB3 GLU A 66 5.458 -8.118 -1.324 1.00 0.89 H new ATOM 0 HG2 GLU A 66 4.462 -6.883 -3.400 1.00 0.89 H new ATOM 0 HG3 GLU A 66 5.051 -8.253 -4.322 1.00 0.89 H new ATOM 1002 N SER A 67 9.417 -7.310 -2.065 1.00 0.63 N ATOM 1003 CA SER A 67 10.685 -7.833 -1.525 1.00 0.76 C ATOM 1004 C SER A 67 10.953 -7.525 -0.050 1.00 0.79 C ATOM 1005 O SER A 67 11.301 -8.432 0.704 1.00 0.98 O ATOM 1006 CB SER A 67 11.843 -7.293 -2.377 1.00 1.04 C ATOM 1007 OG SER A 67 13.092 -7.771 -1.909 1.00 1.88 O ATOM 0 H SER A 67 9.560 -6.795 -2.934 1.00 0.63 H new ATOM 0 HA SER A 67 10.603 -8.919 -1.576 1.00 0.76 H new ATOM 0 HB2 SER A 67 11.703 -7.591 -3.416 1.00 1.04 H new ATOM 0 HB3 SER A 67 11.837 -6.203 -2.355 1.00 1.04 H new ATOM 0 HG SER A 67 13.811 -7.413 -2.471 1.00 1.88 H new ATOM 1013 N LEU A 68 10.780 -6.286 0.413 1.00 0.86 N ATOM 1014 CA LEU A 68 11.115 -5.933 1.802 1.00 0.95 C ATOM 1015 C LEU A 68 10.035 -6.405 2.786 1.00 0.94 C ATOM 1016 O LEU A 68 10.344 -6.896 3.872 1.00 1.06 O ATOM 1017 CB LEU A 68 11.376 -4.411 1.850 1.00 1.01 C ATOM 1018 CG LEU A 68 11.910 -3.789 3.159 1.00 1.05 C ATOM 1019 CD1 LEU A 68 10.885 -3.709 4.291 1.00 1.14 C ATOM 1020 CD2 LEU A 68 13.154 -4.494 3.693 1.00 0.97 C ATOM 0 H LEU A 68 10.414 -5.514 -0.144 1.00 0.86 H new ATOM 0 HA LEU A 68 12.018 -6.452 2.124 1.00 0.95 H new ATOM 0 HB2 LEU A 68 12.086 -4.173 1.058 1.00 1.01 H new ATOM 0 HB3 LEU A 68 10.441 -3.908 1.603 1.00 1.01 H new ATOM 0 HG LEU A 68 12.161 -2.773 2.855 1.00 1.05 H new ATOM 0 HD11 LEU A 68 11.348 -3.259 5.170 1.00 1.14 H new ATOM 0 HD12 LEU A 68 10.039 -3.099 3.974 1.00 1.14 H new ATOM 0 HD13 LEU A 68 10.536 -4.712 4.538 1.00 1.14 H new ATOM 0 HD21 LEU A 68 13.480 -4.010 4.614 1.00 0.97 H new ATOM 0 HD22 LEU A 68 12.921 -5.539 3.896 1.00 0.97 H new ATOM 0 HD23 LEU A 68 13.951 -4.437 2.952 1.00 0.97 H new ATOM 1032 N ILE A 69 8.766 -6.333 2.385 1.00 0.85 N ATOM 1033 CA ILE A 69 7.637 -6.699 3.253 1.00 0.87 C ATOM 1034 C ILE A 69 7.560 -8.225 3.408 1.00 0.96 C ATOM 1035 O ILE A 69 7.471 -8.742 4.523 1.00 1.03 O ATOM 1036 CB ILE A 69 6.305 -6.111 2.731 1.00 0.83 C ATOM 1037 CG1 ILE A 69 6.375 -4.615 2.335 1.00 0.84 C ATOM 1038 CG2 ILE A 69 5.207 -6.358 3.785 1.00 0.91 C ATOM 1039 CD1 ILE A 69 6.479 -3.610 3.485 1.00 0.85 C ATOM 0 H ILE A 69 8.488 -6.021 1.454 1.00 0.85 H new ATOM 0 HA ILE A 69 7.808 -6.265 4.238 1.00 0.87 H new ATOM 0 HB ILE A 69 6.069 -6.628 1.801 1.00 0.83 H new ATOM 0 HG12 ILE A 69 7.235 -4.475 1.680 1.00 0.84 H new ATOM 0 HG13 ILE A 69 5.487 -4.375 1.751 1.00 0.84 H new ATOM 0 HG21 ILE A 69 4.262 -5.948 3.429 1.00 0.91 H new ATOM 0 HG22 ILE A 69 5.098 -7.430 3.952 1.00 0.91 H new ATOM 0 HG23 ILE A 69 5.484 -5.871 4.720 1.00 0.91 H new ATOM 0 HD11 ILE A 69 6.521 -2.598 3.081 1.00 0.85 H new ATOM 0 HD12 ILE A 69 5.608 -3.707 4.133 1.00 0.85 H new ATOM 0 HD13 ILE A 69 7.383 -3.809 4.061 1.00 0.85 H new ATOM 1051 N THR A 70 7.632 -8.950 2.287 1.00 1.03 N ATOM 1052 CA THR A 70 7.374 -10.403 2.220 1.00 1.10 C ATOM 1053 C THR A 70 8.632 -11.261 2.020 1.00 1.15 C ATOM 1054 O THR A 70 8.581 -12.481 2.185 1.00 1.24 O ATOM 1055 CB THR A 70 6.317 -10.718 1.148 1.00 1.05 C ATOM 1056 OG1 THR A 70 6.784 -10.407 -0.145 1.00 1.23 O ATOM 1057 CG2 THR A 70 5.016 -9.941 1.347 1.00 1.26 C ATOM 0 H THR A 70 7.874 -8.543 1.384 1.00 1.03 H new ATOM 0 HA THR A 70 6.989 -10.679 3.202 1.00 1.10 H new ATOM 0 HB THR A 70 6.126 -11.786 1.251 1.00 1.05 H new ATOM 0 HG1 THR A 70 7.124 -9.488 -0.158 1.00 1.23 H new ATOM 0 HG21 THR A 70 4.310 -10.206 0.560 1.00 1.26 H new ATOM 0 HG22 THR A 70 4.588 -10.191 2.318 1.00 1.26 H new ATOM 0 HG23 THR A 70 5.221 -8.871 1.305 1.00 1.26 H new ATOM 1065 N GLY A 71 9.777 -10.654 1.697 1.00 1.13 N ATOM 1066 CA GLY A 71 11.096 -11.297 1.587 1.00 1.20 C ATOM 1067 C GLY A 71 11.390 -12.007 0.253 1.00 1.24 C ATOM 1068 O GLY A 71 12.508 -12.479 0.054 1.00 1.51 O ATOM 0 H GLY A 71 9.815 -9.655 1.495 1.00 1.13 H new ATOM 0 HA2 GLY A 71 11.863 -10.539 1.749 1.00 1.20 H new ATOM 0 HA3 GLY A 71 11.192 -12.025 2.392 1.00 1.20 H new ATOM 1072 N GLU A 72 10.407 -12.097 -0.655 1.00 1.10 N ATOM 1073 CA GLU A 72 10.483 -12.931 -1.872 1.00 1.18 C ATOM 1074 C GLU A 72 11.686 -12.587 -2.771 1.00 1.27 C ATOM 1075 O GLU A 72 12.397 -13.494 -3.212 1.00 2.56 O ATOM 1076 CB GLU A 72 9.205 -12.793 -2.720 1.00 1.24 C ATOM 1077 CG GLU A 72 7.874 -13.025 -2.005 1.00 1.14 C ATOM 1078 CD GLU A 72 7.635 -14.487 -1.634 1.00 1.55 C ATOM 1079 OE1 GLU A 72 7.033 -15.238 -2.433 1.00 1.87 O ATOM 1080 OE2 GLU A 72 7.998 -14.917 -0.513 1.00 2.85 O ATOM 0 H GLU A 72 9.527 -11.589 -0.568 1.00 1.10 H new ATOM 0 HA GLU A 72 10.600 -13.953 -1.511 1.00 1.18 H new ATOM 0 HB2 GLU A 72 9.189 -11.792 -3.150 1.00 1.24 H new ATOM 0 HB3 GLU A 72 9.271 -13.496 -3.551 1.00 1.24 H new ATOM 0 HG2 GLU A 72 7.845 -12.418 -1.100 1.00 1.14 H new ATOM 0 HG3 GLU A 72 7.061 -12.682 -2.645 1.00 1.14 H new ATOM 1087 N ALA A 73 11.902 -11.291 -3.036 1.00 1.21 N ATOM 1088 CA ALA A 73 12.943 -10.742 -3.914 1.00 1.22 C ATOM 1089 C ALA A 73 12.825 -11.284 -5.352 1.00 0.93 C ATOM 1090 O ALA A 73 13.791 -11.720 -5.990 1.00 1.27 O ATOM 1091 CB ALA A 73 14.323 -10.807 -3.245 1.00 1.93 C ATOM 0 H ALA A 73 11.324 -10.560 -2.621 1.00 1.21 H new ATOM 0 HA ALA A 73 12.785 -9.673 -4.054 1.00 1.22 H new ATOM 0 HB1 ALA A 73 15.074 -10.394 -3.919 1.00 1.93 H new ATOM 0 HB2 ALA A 73 14.307 -10.229 -2.321 1.00 1.93 H new ATOM 0 HB3 ALA A 73 14.570 -11.845 -3.020 1.00 1.93 H new ATOM 1097 N MET A 74 11.578 -11.270 -5.824 1.00 0.92 N ATOM 1098 CA MET A 74 11.103 -11.567 -7.172 1.00 0.83 C ATOM 1099 C MET A 74 9.782 -10.798 -7.424 1.00 0.69 C ATOM 1100 O MET A 74 8.920 -10.795 -6.537 1.00 0.79 O ATOM 1101 CB MET A 74 10.904 -13.080 -7.352 1.00 1.14 C ATOM 1102 CG MET A 74 10.106 -13.771 -6.237 1.00 2.64 C ATOM 1103 SD MET A 74 9.692 -15.509 -6.542 1.00 3.35 S ATOM 1104 CE MET A 74 11.338 -16.265 -6.485 1.00 4.07 C ATOM 0 H MET A 74 10.801 -11.026 -5.210 1.00 0.92 H new ATOM 0 HA MET A 74 11.847 -11.245 -7.901 1.00 0.83 H new ATOM 0 HB2 MET A 74 10.397 -13.253 -8.301 1.00 1.14 H new ATOM 0 HB3 MET A 74 11.883 -13.553 -7.423 1.00 1.14 H new ATOM 0 HG2 MET A 74 10.678 -13.708 -5.311 1.00 2.64 H new ATOM 0 HG3 MET A 74 9.181 -13.217 -6.078 1.00 2.64 H new ATOM 0 HE1 MET A 74 11.245 -17.346 -6.585 1.00 4.07 H new ATOM 0 HE2 MET A 74 11.946 -15.876 -7.302 1.00 4.07 H new ATOM 0 HE3 MET A 74 11.815 -16.028 -5.534 1.00 4.07 H new ATOM 1114 N PRO A 75 9.587 -10.138 -8.582 1.00 0.76 N ATOM 1115 CA PRO A 75 8.358 -9.389 -8.871 1.00 0.86 C ATOM 1116 C PRO A 75 7.088 -10.260 -8.904 1.00 0.73 C ATOM 1117 O PRO A 75 7.129 -11.413 -9.349 1.00 0.78 O ATOM 1118 CB PRO A 75 8.607 -8.706 -10.217 1.00 1.27 C ATOM 1119 CG PRO A 75 10.125 -8.569 -10.284 1.00 1.35 C ATOM 1120 CD PRO A 75 10.600 -9.841 -9.588 1.00 1.03 C ATOM 0 HA PRO A 75 8.159 -8.675 -8.072 1.00 0.86 H new ATOM 0 HB2 PRO A 75 8.223 -9.302 -11.045 1.00 1.27 H new ATOM 0 HB3 PRO A 75 8.116 -7.734 -10.269 1.00 1.27 H new ATOM 0 HG2 PRO A 75 10.483 -8.511 -11.312 1.00 1.35 H new ATOM 0 HG3 PRO A 75 10.475 -7.672 -9.773 1.00 1.35 H new ATOM 0 HD2 PRO A 75 10.700 -10.662 -10.298 1.00 1.03 H new ATOM 0 HD3 PRO A 75 11.578 -9.695 -9.129 1.00 1.03 H new ATOM 1128 N VAL A 76 5.954 -9.701 -8.461 1.00 0.69 N ATOM 1129 CA VAL A 76 4.660 -10.399 -8.294 1.00 0.66 C ATOM 1130 C VAL A 76 3.560 -9.741 -9.134 1.00 0.63 C ATOM 1131 O VAL A 76 3.347 -8.532 -9.044 1.00 0.62 O ATOM 1132 CB VAL A 76 4.249 -10.440 -6.802 1.00 0.69 C ATOM 1133 CG1 VAL A 76 2.973 -11.265 -6.582 1.00 0.76 C ATOM 1134 CG2 VAL A 76 5.345 -11.050 -5.914 1.00 0.74 C ATOM 0 H VAL A 76 5.904 -8.717 -8.198 1.00 0.69 H new ATOM 0 HA VAL A 76 4.787 -11.422 -8.648 1.00 0.66 H new ATOM 0 HB VAL A 76 4.080 -9.400 -6.524 1.00 0.69 H new ATOM 0 HG11 VAL A 76 2.720 -11.268 -5.522 1.00 0.76 H new ATOM 0 HG12 VAL A 76 2.153 -10.825 -7.150 1.00 0.76 H new ATOM 0 HG13 VAL A 76 3.139 -12.288 -6.918 1.00 0.76 H new ATOM 0 HG21 VAL A 76 5.011 -11.057 -4.877 1.00 0.74 H new ATOM 0 HG22 VAL A 76 5.548 -12.071 -6.237 1.00 0.74 H new ATOM 0 HG23 VAL A 76 6.254 -10.455 -5.998 1.00 0.74 H new ATOM 1144 N ALA A 77 2.833 -10.521 -9.940 1.00 0.67 N ATOM 1145 CA ALA A 77 1.762 -10.018 -10.809 1.00 0.68 C ATOM 1146 C ALA A 77 0.405 -9.894 -10.083 1.00 0.70 C ATOM 1147 O ALA A 77 0.072 -10.721 -9.232 1.00 0.76 O ATOM 1148 CB ALA A 77 1.668 -10.920 -12.046 1.00 0.76 C ATOM 0 H ALA A 77 2.972 -11.529 -10.009 1.00 0.67 H new ATOM 0 HA ALA A 77 2.014 -9.002 -11.114 1.00 0.68 H new ATOM 0 HB1 ALA A 77 0.876 -10.558 -12.701 1.00 0.76 H new ATOM 0 HB2 ALA A 77 2.617 -10.903 -12.581 1.00 0.76 H new ATOM 0 HB3 ALA A 77 1.444 -11.941 -11.736 1.00 0.76 H new ATOM 1154 N LYS A 78 -0.386 -8.873 -10.433 1.00 0.75 N ATOM 1155 CA LYS A 78 -1.712 -8.559 -9.858 1.00 0.82 C ATOM 1156 C LYS A 78 -2.820 -8.528 -10.928 1.00 1.03 C ATOM 1157 O LYS A 78 -2.542 -8.356 -12.120 1.00 1.31 O ATOM 1158 CB LYS A 78 -1.641 -7.229 -9.076 1.00 0.80 C ATOM 1159 CG LYS A 78 -0.540 -7.140 -7.996 1.00 0.68 C ATOM 1160 CD LYS A 78 -0.708 -8.129 -6.828 1.00 0.64 C ATOM 1161 CE LYS A 78 0.491 -8.051 -5.871 1.00 0.59 C ATOM 1162 NZ LYS A 78 0.268 -8.842 -4.636 1.00 0.61 N ATOM 0 H LYS A 78 -0.112 -8.209 -11.157 1.00 0.75 H new ATOM 0 HA LYS A 78 -1.979 -9.359 -9.168 1.00 0.82 H new ATOM 0 HB2 LYS A 78 -1.490 -6.418 -9.789 1.00 0.80 H new ATOM 0 HB3 LYS A 78 -2.606 -7.058 -8.599 1.00 0.80 H new ATOM 0 HG2 LYS A 78 0.428 -7.315 -8.467 1.00 0.68 H new ATOM 0 HG3 LYS A 78 -0.522 -6.126 -7.597 1.00 0.68 H new ATOM 0 HD2 LYS A 78 -1.627 -7.906 -6.286 1.00 0.64 H new ATOM 0 HD3 LYS A 78 -0.805 -9.143 -7.215 1.00 0.64 H new ATOM 0 HE2 LYS A 78 1.384 -8.415 -6.378 1.00 0.59 H new ATOM 0 HE3 LYS A 78 0.677 -7.010 -5.606 1.00 0.59 H new ATOM 0 HZ1 LYS A 78 1.120 -8.804 -4.041 1.00 0.61 H new ATOM 0 HZ2 LYS A 78 -0.539 -8.447 -4.112 1.00 0.61 H new ATOM 0 HZ3 LYS A 78 0.066 -9.830 -4.889 1.00 0.61 H new ATOM 1176 N LYS A 79 -4.075 -8.678 -10.492 1.00 0.97 N ATOM 1177 CA LYS A 79 -5.309 -8.759 -11.298 1.00 1.15 C ATOM 1178 C LYS A 79 -6.521 -8.241 -10.492 1.00 1.05 C ATOM 1179 O LYS A 79 -6.370 -8.013 -9.289 1.00 0.91 O ATOM 1180 CB LYS A 79 -5.511 -10.235 -11.708 1.00 1.37 C ATOM 1181 CG LYS A 79 -5.702 -11.218 -10.538 1.00 2.63 C ATOM 1182 CD LYS A 79 -6.059 -12.633 -11.005 1.00 2.92 C ATOM 1183 CE LYS A 79 -7.431 -12.694 -11.689 1.00 3.08 C ATOM 1184 NZ LYS A 79 -7.848 -14.094 -11.930 1.00 3.64 N ATOM 0 H LYS A 79 -4.275 -8.752 -9.495 1.00 0.97 H new ATOM 0 HA LYS A 79 -5.221 -8.133 -12.186 1.00 1.15 H new ATOM 0 HB2 LYS A 79 -6.381 -10.299 -12.361 1.00 1.37 H new ATOM 0 HB3 LYS A 79 -4.649 -10.554 -12.294 1.00 1.37 H new ATOM 0 HG2 LYS A 79 -4.787 -11.255 -9.947 1.00 2.63 H new ATOM 0 HG3 LYS A 79 -6.490 -10.847 -9.882 1.00 2.63 H new ATOM 0 HD2 LYS A 79 -5.295 -12.988 -11.697 1.00 2.92 H new ATOM 0 HD3 LYS A 79 -6.052 -13.308 -10.149 1.00 2.92 H new ATOM 0 HE2 LYS A 79 -8.173 -12.193 -11.067 1.00 3.08 H new ATOM 0 HE3 LYS A 79 -7.392 -12.155 -12.636 1.00 3.08 H new ATOM 0 HZ1 LYS A 79 -8.779 -14.104 -12.393 1.00 3.64 H new ATOM 0 HZ2 LYS A 79 -7.151 -14.563 -12.543 1.00 3.64 H new ATOM 0 HZ3 LYS A 79 -7.907 -14.600 -11.023 1.00 3.64 H new ATOM 1198 N PRO A 80 -7.727 -8.064 -11.073 1.00 1.14 N ATOM 1199 CA PRO A 80 -8.935 -7.865 -10.267 1.00 1.14 C ATOM 1200 C PRO A 80 -9.161 -9.114 -9.392 1.00 1.14 C ATOM 1201 O PRO A 80 -9.264 -10.237 -9.895 1.00 1.25 O ATOM 1202 CB PRO A 80 -10.073 -7.622 -11.267 1.00 1.26 C ATOM 1203 CG PRO A 80 -9.571 -8.285 -12.552 1.00 1.42 C ATOM 1204 CD PRO A 80 -8.067 -8.025 -12.490 1.00 1.25 C ATOM 0 HA PRO A 80 -8.866 -7.018 -9.585 1.00 1.14 H new ATOM 0 HB2 PRO A 80 -11.008 -8.066 -10.926 1.00 1.26 H new ATOM 0 HB3 PRO A 80 -10.259 -6.558 -11.411 1.00 1.26 H new ATOM 0 HG2 PRO A 80 -9.798 -9.351 -12.575 1.00 1.42 H new ATOM 0 HG3 PRO A 80 -10.023 -7.844 -13.440 1.00 1.42 H new ATOM 0 HD2 PRO A 80 -7.514 -8.781 -13.048 1.00 1.25 H new ATOM 0 HD3 PRO A 80 -7.817 -7.059 -12.928 1.00 1.25 H new ATOM 1212 N GLY A 81 -9.251 -8.926 -8.078 1.00 1.12 N ATOM 1213 CA GLY A 81 -9.219 -10.008 -7.090 1.00 1.18 C ATOM 1214 C GLY A 81 -7.794 -10.389 -6.663 1.00 1.08 C ATOM 1215 O GLY A 81 -7.478 -11.578 -6.581 1.00 1.27 O ATOM 0 H GLY A 81 -9.350 -8.001 -7.659 1.00 1.12 H new ATOM 0 HA2 GLY A 81 -9.787 -9.706 -6.210 1.00 1.18 H new ATOM 0 HA3 GLY A 81 -9.715 -10.886 -7.504 1.00 1.18 H new ATOM 1219 N SER A 82 -6.941 -9.391 -6.399 1.00 0.91 N ATOM 1220 CA SER A 82 -5.619 -9.546 -5.751 1.00 0.79 C ATOM 1221 C SER A 82 -5.545 -8.631 -4.520 1.00 0.66 C ATOM 1222 O SER A 82 -6.374 -7.737 -4.377 1.00 0.80 O ATOM 1223 CB SER A 82 -4.460 -9.155 -6.683 1.00 0.78 C ATOM 1224 OG SER A 82 -4.349 -9.950 -7.840 1.00 1.36 O ATOM 0 H SER A 82 -7.152 -8.421 -6.635 1.00 0.91 H new ATOM 0 HA SER A 82 -5.519 -10.598 -5.484 1.00 0.79 H new ATOM 0 HB2 SER A 82 -4.586 -8.115 -6.983 1.00 0.78 H new ATOM 0 HB3 SER A 82 -3.526 -9.215 -6.125 1.00 0.78 H new ATOM 0 HG SER A 82 -3.472 -10.388 -7.853 1.00 1.36 H new ATOM 1230 N THR A 83 -4.533 -8.769 -3.661 1.00 0.58 N ATOM 1231 CA THR A 83 -4.261 -7.796 -2.575 1.00 0.54 C ATOM 1232 C THR A 83 -2.861 -7.182 -2.663 1.00 0.50 C ATOM 1233 O THR A 83 -1.961 -7.737 -3.301 1.00 0.48 O ATOM 1234 CB THR A 83 -4.534 -8.374 -1.179 1.00 0.81 C ATOM 1235 OG1 THR A 83 -3.806 -9.561 -0.977 1.00 0.98 O ATOM 1236 CG2 THR A 83 -6.015 -8.667 -0.931 1.00 0.97 C ATOM 0 H THR A 83 -3.877 -9.549 -3.689 1.00 0.58 H new ATOM 0 HA THR A 83 -4.972 -6.984 -2.729 1.00 0.54 H new ATOM 0 HB THR A 83 -4.216 -7.605 -0.475 1.00 0.81 H new ATOM 0 HG1 THR A 83 -3.993 -9.911 -0.081 1.00 0.98 H new ATOM 0 HG21 THR A 83 -6.142 -9.073 0.072 1.00 0.97 H new ATOM 0 HG22 THR A 83 -6.589 -7.745 -1.025 1.00 0.97 H new ATOM 0 HG23 THR A 83 -6.370 -9.392 -1.664 1.00 0.97 H new ATOM 1244 N VAL A 84 -2.694 -5.998 -2.065 1.00 0.55 N ATOM 1245 CA VAL A 84 -1.448 -5.210 -2.041 1.00 0.59 C ATOM 1246 C VAL A 84 -1.187 -4.593 -0.661 1.00 0.73 C ATOM 1247 O VAL A 84 -2.097 -4.439 0.160 1.00 0.76 O ATOM 1248 CB VAL A 84 -1.439 -4.100 -3.119 1.00 0.63 C ATOM 1249 CG1 VAL A 84 -1.302 -4.690 -4.528 1.00 0.58 C ATOM 1250 CG2 VAL A 84 -2.676 -3.196 -3.063 1.00 0.71 C ATOM 0 H VAL A 84 -3.453 -5.539 -1.562 1.00 0.55 H new ATOM 0 HA VAL A 84 -0.645 -5.912 -2.265 1.00 0.59 H new ATOM 0 HB VAL A 84 -0.568 -3.483 -2.896 1.00 0.63 H new ATOM 0 HG11 VAL A 84 -1.299 -3.884 -5.261 1.00 0.58 H new ATOM 0 HG12 VAL A 84 -0.369 -5.249 -4.599 1.00 0.58 H new ATOM 0 HG13 VAL A 84 -2.141 -5.357 -4.726 1.00 0.58 H new ATOM 0 HG21 VAL A 84 -2.609 -2.439 -3.844 1.00 0.71 H new ATOM 0 HG22 VAL A 84 -3.573 -3.797 -3.216 1.00 0.71 H new ATOM 0 HG23 VAL A 84 -2.727 -2.709 -2.089 1.00 0.71 H new ATOM 1260 N ILE A 85 0.076 -4.221 -0.431 1.00 0.84 N ATOM 1261 CA ILE A 85 0.608 -3.666 0.819 1.00 0.92 C ATOM 1262 C ILE A 85 1.365 -2.351 0.602 1.00 0.98 C ATOM 1263 O ILE A 85 1.903 -2.097 -0.476 1.00 1.22 O ATOM 1264 CB ILE A 85 1.477 -4.687 1.586 1.00 0.93 C ATOM 1265 CG1 ILE A 85 2.857 -4.974 0.956 1.00 1.60 C ATOM 1266 CG2 ILE A 85 0.718 -5.991 1.864 1.00 1.27 C ATOM 1267 CD1 ILE A 85 2.903 -5.448 -0.499 1.00 0.89 C ATOM 0 H ILE A 85 0.794 -4.303 -1.151 1.00 0.84 H new ATOM 0 HA ILE A 85 -0.259 -3.440 1.440 1.00 0.92 H new ATOM 0 HB ILE A 85 1.691 -4.195 2.535 1.00 0.93 H new ATOM 0 HG12 ILE A 85 3.452 -4.064 1.029 1.00 1.60 H new ATOM 0 HG13 ILE A 85 3.352 -5.728 1.568 1.00 1.60 H new ATOM 0 HG21 ILE A 85 1.366 -6.681 2.405 1.00 1.27 H new ATOM 0 HG22 ILE A 85 -0.166 -5.777 2.465 1.00 1.27 H new ATOM 0 HG23 ILE A 85 0.414 -6.443 0.920 1.00 1.27 H new ATOM 0 HD11 ILE A 85 3.939 -5.607 -0.797 1.00 0.89 H new ATOM 0 HD12 ILE A 85 2.350 -6.383 -0.595 1.00 0.89 H new ATOM 0 HD13 ILE A 85 2.452 -4.692 -1.142 1.00 0.89 H new ATOM 1279 N ALA A 86 1.422 -1.524 1.646 1.00 0.94 N ATOM 1280 CA ALA A 86 2.066 -0.216 1.590 1.00 1.00 C ATOM 1281 C ALA A 86 3.606 -0.292 1.543 1.00 0.96 C ATOM 1282 O ALA A 86 4.212 -1.310 1.882 1.00 0.97 O ATOM 1283 CB ALA A 86 1.556 0.631 2.762 1.00 1.17 C ATOM 0 H ALA A 86 1.020 -1.745 2.557 1.00 0.94 H new ATOM 0 HA ALA A 86 1.793 0.263 0.650 1.00 1.00 H new ATOM 0 HB1 ALA A 86 2.029 1.613 2.734 1.00 1.17 H new ATOM 0 HB2 ALA A 86 0.475 0.746 2.684 1.00 1.17 H new ATOM 0 HB3 ALA A 86 1.801 0.137 3.702 1.00 1.17 H new ATOM 1289 N GLY A 87 4.247 0.785 1.082 1.00 0.96 N ATOM 1290 CA GLY A 87 5.708 0.912 0.980 1.00 0.97 C ATOM 1291 C GLY A 87 6.357 0.094 -0.149 1.00 0.98 C ATOM 1292 O GLY A 87 7.553 0.250 -0.412 1.00 1.07 O ATOM 0 H GLY A 87 3.753 1.617 0.760 1.00 0.96 H new ATOM 0 HA2 GLY A 87 5.956 1.963 0.835 1.00 0.97 H new ATOM 0 HA3 GLY A 87 6.151 0.608 1.929 1.00 0.97 H new ATOM 1296 N SER A 88 5.582 -0.754 -0.833 1.00 0.93 N ATOM 1297 CA SER A 88 6.005 -1.526 -2.009 1.00 0.86 C ATOM 1298 C SER A 88 5.874 -0.707 -3.299 1.00 0.75 C ATOM 1299 O SER A 88 5.185 0.318 -3.325 1.00 0.80 O ATOM 1300 CB SER A 88 5.216 -2.836 -2.082 1.00 0.86 C ATOM 1301 OG SER A 88 5.512 -3.602 -0.931 1.00 2.46 O ATOM 0 H SER A 88 4.611 -0.929 -0.576 1.00 0.93 H new ATOM 0 HA SER A 88 7.062 -1.769 -1.904 1.00 0.86 H new ATOM 0 HB2 SER A 88 4.147 -2.632 -2.137 1.00 0.86 H new ATOM 0 HB3 SER A 88 5.481 -3.388 -2.983 1.00 0.86 H new ATOM 0 HG SER A 88 6.371 -4.058 -1.053 1.00 2.46 H new ATOM 1307 N ILE A 89 6.545 -1.149 -4.368 1.00 0.65 N ATOM 1308 CA ILE A 89 6.718 -0.382 -5.615 1.00 0.67 C ATOM 1309 C ILE A 89 5.937 -1.014 -6.780 1.00 0.59 C ATOM 1310 O ILE A 89 5.915 -2.237 -6.919 1.00 0.51 O ATOM 1311 CB ILE A 89 8.219 -0.231 -5.991 1.00 0.76 C ATOM 1312 CG1 ILE A 89 9.239 -0.279 -4.823 1.00 0.83 C ATOM 1313 CG2 ILE A 89 8.417 1.058 -6.807 1.00 0.93 C ATOM 1314 CD1 ILE A 89 9.149 0.859 -3.796 1.00 0.97 C ATOM 0 H ILE A 89 6.992 -2.065 -4.395 1.00 0.65 H new ATOM 0 HA ILE A 89 6.312 0.613 -5.432 1.00 0.67 H new ATOM 0 HB ILE A 89 8.444 -1.123 -6.575 1.00 0.76 H new ATOM 0 HG12 ILE A 89 9.113 -1.225 -4.297 1.00 0.83 H new ATOM 0 HG13 ILE A 89 10.244 -0.280 -5.246 1.00 0.83 H new ATOM 0 HG21 ILE A 89 9.469 1.164 -7.071 1.00 0.93 H new ATOM 0 HG22 ILE A 89 7.818 1.008 -7.717 1.00 0.93 H new ATOM 0 HG23 ILE A 89 8.104 1.916 -6.213 1.00 0.93 H new ATOM 0 HD11 ILE A 89 9.910 0.718 -3.029 1.00 0.97 H new ATOM 0 HD12 ILE A 89 9.310 1.814 -4.296 1.00 0.97 H new ATOM 0 HD13 ILE A 89 8.162 0.854 -3.333 1.00 0.97 H new ATOM 1326 N ASN A 90 5.328 -0.188 -7.634 1.00 0.73 N ATOM 1327 CA ASN A 90 4.724 -0.561 -8.918 1.00 0.87 C ATOM 1328 C ASN A 90 5.781 -0.431 -10.039 1.00 1.08 C ATOM 1329 O ASN A 90 6.526 0.550 -10.081 1.00 1.19 O ATOM 1330 CB ASN A 90 3.460 0.322 -9.106 1.00 1.04 C ATOM 1331 CG ASN A 90 2.743 0.217 -10.447 1.00 1.39 C ATOM 1332 OD1 ASN A 90 3.327 0.010 -11.497 1.00 2.79 O ATOM 1333 ND2 ASN A 90 1.448 0.430 -10.461 1.00 0.64 N ATOM 0 H ASN A 90 5.238 0.809 -7.440 1.00 0.73 H new ATOM 0 HA ASN A 90 4.401 -1.601 -8.951 1.00 0.87 H new ATOM 0 HB2 ASN A 90 2.749 0.069 -8.320 1.00 1.04 H new ATOM 0 HB3 ASN A 90 3.747 1.363 -8.954 1.00 1.04 H new ATOM 0 HD21 ASN A 90 0.939 0.421 -11.345 1.00 0.64 H new ATOM 0 HD22 ASN A 90 0.950 0.604 -9.588 1.00 0.64 H new ATOM 1340 N GLN A 91 5.861 -1.410 -10.948 1.00 1.26 N ATOM 1341 CA GLN A 91 6.654 -1.315 -12.180 1.00 1.42 C ATOM 1342 C GLN A 91 5.864 -0.590 -13.278 1.00 1.52 C ATOM 1343 O GLN A 91 6.137 0.566 -13.593 1.00 2.97 O ATOM 1344 CB GLN A 91 7.102 -2.721 -12.611 1.00 1.64 C ATOM 1345 CG GLN A 91 7.942 -2.747 -13.899 1.00 2.26 C ATOM 1346 CD GLN A 91 9.228 -1.926 -13.811 1.00 2.82 C ATOM 1347 OE1 GLN A 91 10.253 -2.374 -13.301 1.00 3.52 O ATOM 1348 NE2 GLN A 91 9.213 -0.695 -14.267 1.00 3.17 N ATOM 0 H GLN A 91 5.372 -2.300 -10.848 1.00 1.26 H new ATOM 0 HA GLN A 91 7.549 -0.721 -11.996 1.00 1.42 H new ATOM 0 HB2 GLN A 91 7.681 -3.169 -11.804 1.00 1.64 H new ATOM 0 HB3 GLN A 91 6.219 -3.344 -12.754 1.00 1.64 H new ATOM 0 HG2 GLN A 91 8.197 -3.780 -14.135 1.00 2.26 H new ATOM 0 HG3 GLN A 91 7.337 -2.371 -14.724 1.00 2.26 H new ATOM 0 HE21 GLN A 91 8.365 -0.319 -14.691 1.00 3.17 H new ATOM 0 HE22 GLN A 91 10.049 -0.115 -14.197 1.00 3.17 H new ATOM 1357 N ASN A 92 4.866 -1.266 -13.844 1.00 1.19 N ATOM 1358 CA ASN A 92 3.863 -0.723 -14.750 1.00 1.21 C ATOM 1359 C ASN A 92 2.508 -1.367 -14.400 1.00 1.80 C ATOM 1360 O ASN A 92 2.475 -2.422 -13.758 1.00 3.63 O ATOM 1361 CB ASN A 92 4.279 -0.995 -16.209 1.00 1.83 C ATOM 1362 CG ASN A 92 3.284 -0.369 -17.166 1.00 2.33 C ATOM 1363 OD1 ASN A 92 3.033 0.824 -17.099 1.00 3.30 O ATOM 1364 ND2 ASN A 92 2.608 -1.142 -17.979 1.00 2.34 N ATOM 0 H ASN A 92 4.731 -2.262 -13.671 1.00 1.19 H new ATOM 0 HA ASN A 92 3.775 0.358 -14.641 1.00 1.21 H new ATOM 0 HB2 ASN A 92 5.274 -0.590 -16.392 1.00 1.83 H new ATOM 0 HB3 ASN A 92 4.335 -2.069 -16.384 1.00 1.83 H new ATOM 0 HD21 ASN A 92 1.868 -0.748 -18.560 1.00 2.34 H new ATOM 0 HD22 ASN A 92 2.822 -2.138 -18.031 1.00 2.34 H new ATOM 1371 N GLY A 93 1.396 -0.768 -14.820 1.00 1.10 N ATOM 1372 CA GLY A 93 0.024 -1.225 -14.649 1.00 1.83 C ATOM 1373 C GLY A 93 -0.786 -0.261 -13.778 1.00 1.51 C ATOM 1374 O GLY A 93 -0.290 0.249 -12.772 1.00 1.82 O ATOM 0 H GLY A 93 1.437 0.116 -15.327 1.00 1.10 H new ATOM 0 HA2 GLY A 93 -0.452 -1.322 -15.625 1.00 1.83 H new ATOM 0 HA3 GLY A 93 0.024 -2.215 -14.194 1.00 1.83 H new ATOM 1378 N SER A 94 -2.036 -0.010 -14.172 1.00 1.90 N ATOM 1379 CA SER A 94 -2.896 1.039 -13.613 1.00 1.67 C ATOM 1380 C SER A 94 -4.095 0.412 -12.895 1.00 1.47 C ATOM 1381 O SER A 94 -5.099 0.066 -13.524 1.00 1.56 O ATOM 1382 CB SER A 94 -3.333 1.987 -14.741 1.00 2.15 C ATOM 1383 OG SER A 94 -2.231 2.740 -15.220 1.00 2.56 O ATOM 0 H SER A 94 -2.493 -0.546 -14.910 1.00 1.90 H new ATOM 0 HA SER A 94 -2.345 1.620 -12.873 1.00 1.67 H new ATOM 0 HB2 SER A 94 -3.769 1.411 -15.558 1.00 2.15 H new ATOM 0 HB3 SER A 94 -4.109 2.660 -14.376 1.00 2.15 H new ATOM 0 HG SER A 94 -2.530 3.336 -15.938 1.00 2.56 H new ATOM 1389 N LEU A 95 -3.989 0.244 -11.574 1.00 1.38 N ATOM 1390 CA LEU A 95 -4.939 -0.508 -10.739 1.00 1.26 C ATOM 1391 C LEU A 95 -5.869 0.388 -9.900 1.00 1.21 C ATOM 1392 O LEU A 95 -5.494 1.478 -9.459 1.00 1.20 O ATOM 1393 CB LEU A 95 -4.164 -1.435 -9.785 1.00 1.08 C ATOM 1394 CG LEU A 95 -3.209 -2.493 -10.345 1.00 1.39 C ATOM 1395 CD1 LEU A 95 -2.560 -3.235 -9.171 1.00 1.27 C ATOM 1396 CD2 LEU A 95 -3.931 -3.491 -11.227 1.00 1.68 C ATOM 0 H LEU A 95 -3.217 0.638 -11.036 1.00 1.38 H new ATOM 0 HA LEU A 95 -5.567 -1.074 -11.427 1.00 1.26 H new ATOM 0 HB2 LEU A 95 -3.585 -0.799 -9.116 1.00 1.08 H new ATOM 0 HB3 LEU A 95 -4.900 -1.956 -9.172 1.00 1.08 H new ATOM 0 HG LEU A 95 -2.458 -1.991 -10.955 1.00 1.39 H new ATOM 0 HD11 LEU A 95 -1.876 -3.993 -9.553 1.00 1.27 H new ATOM 0 HD12 LEU A 95 -2.008 -2.527 -8.553 1.00 1.27 H new ATOM 0 HD13 LEU A 95 -3.334 -3.714 -8.571 1.00 1.27 H new ATOM 0 HD21 LEU A 95 -3.219 -4.225 -11.605 1.00 1.68 H new ATOM 0 HD22 LEU A 95 -4.702 -3.998 -10.647 1.00 1.68 H new ATOM 0 HD23 LEU A 95 -4.393 -2.969 -12.065 1.00 1.68 H new ATOM 1408 N LEU A 96 -7.055 -0.143 -9.592 1.00 1.21 N ATOM 1409 CA LEU A 96 -8.027 0.453 -8.669 1.00 1.23 C ATOM 1410 C LEU A 96 -8.004 -0.304 -7.331 1.00 0.94 C ATOM 1411 O LEU A 96 -8.282 -1.508 -7.301 1.00 0.92 O ATOM 1412 CB LEU A 96 -9.402 0.438 -9.365 1.00 1.61 C ATOM 1413 CG LEU A 96 -10.425 1.451 -8.831 1.00 2.18 C ATOM 1414 CD1 LEU A 96 -11.657 1.447 -9.738 1.00 3.58 C ATOM 1415 CD2 LEU A 96 -10.905 1.193 -7.415 1.00 3.44 C ATOM 0 H LEU A 96 -7.376 -1.026 -9.989 1.00 1.21 H new ATOM 0 HA LEU A 96 -7.783 1.488 -8.429 1.00 1.23 H new ATOM 0 HB2 LEU A 96 -9.253 0.625 -10.429 1.00 1.61 H new ATOM 0 HB3 LEU A 96 -9.825 -0.562 -9.273 1.00 1.61 H new ATOM 0 HG LEU A 96 -9.902 2.407 -8.823 1.00 2.18 H new ATOM 0 HD11 LEU A 96 -12.387 2.165 -9.363 1.00 3.58 H new ATOM 0 HD12 LEU A 96 -11.364 1.723 -10.751 1.00 3.58 H new ATOM 0 HD13 LEU A 96 -12.099 0.451 -9.747 1.00 3.58 H new ATOM 0 HD21 LEU A 96 -11.624 1.961 -7.129 1.00 3.44 H new ATOM 0 HD22 LEU A 96 -11.381 0.214 -7.365 1.00 3.44 H new ATOM 0 HD23 LEU A 96 -10.056 1.219 -6.732 1.00 3.44 H new ATOM 1427 N ILE A 97 -7.645 0.389 -6.242 1.00 0.80 N ATOM 1428 CA ILE A 97 -7.433 -0.188 -4.907 1.00 0.58 C ATOM 1429 C ILE A 97 -8.490 0.310 -3.905 1.00 0.52 C ATOM 1430 O ILE A 97 -8.664 1.517 -3.731 1.00 0.66 O ATOM 1431 CB ILE A 97 -6.020 0.163 -4.366 1.00 0.61 C ATOM 1432 CG1 ILE A 97 -4.872 0.201 -5.403 1.00 0.81 C ATOM 1433 CG2 ILE A 97 -5.661 -0.763 -3.187 1.00 0.60 C ATOM 1434 CD1 ILE A 97 -4.568 -1.129 -6.088 1.00 1.96 C ATOM 0 H ILE A 97 -7.489 1.397 -6.266 1.00 0.80 H new ATOM 0 HA ILE A 97 -7.523 -1.269 -5.011 1.00 0.58 H new ATOM 0 HB ILE A 97 -6.104 1.199 -4.038 1.00 0.61 H new ATOM 0 HG12 ILE A 97 -5.120 0.937 -6.168 1.00 0.81 H new ATOM 0 HG13 ILE A 97 -3.967 0.550 -4.906 1.00 0.81 H new ATOM 0 HG21 ILE A 97 -4.669 -0.509 -2.814 1.00 0.60 H new ATOM 0 HG22 ILE A 97 -6.392 -0.636 -2.389 1.00 0.60 H new ATOM 0 HG23 ILE A 97 -5.668 -1.800 -3.523 1.00 0.60 H new ATOM 0 HD11 ILE A 97 -3.749 -0.995 -6.795 1.00 1.96 H new ATOM 0 HD12 ILE A 97 -4.283 -1.868 -5.339 1.00 1.96 H new ATOM 0 HD13 ILE A 97 -5.454 -1.475 -6.620 1.00 1.96 H new ATOM 1446 N CYS A 98 -9.146 -0.598 -3.182 1.00 0.44 N ATOM 1447 CA CYS A 98 -9.991 -0.262 -2.029 1.00 0.43 C ATOM 1448 C CYS A 98 -9.237 -0.551 -0.718 1.00 0.54 C ATOM 1449 O CYS A 98 -8.749 -1.665 -0.504 1.00 0.65 O ATOM 1450 CB CYS A 98 -11.349 -0.976 -2.136 1.00 0.47 C ATOM 1451 SG CYS A 98 -11.150 -2.777 -2.253 1.00 1.45 S ATOM 0 H CYS A 98 -9.107 -1.598 -3.380 1.00 0.44 H new ATOM 0 HA CYS A 98 -10.212 0.805 -2.025 1.00 0.43 H new ATOM 0 HB2 CYS A 98 -11.958 -0.733 -1.266 1.00 0.47 H new ATOM 0 HB3 CYS A 98 -11.885 -0.611 -3.012 1.00 0.47 H new ATOM 0 HG CYS A 98 -10.098 -3.142 -1.581 1.00 1.45 H new ATOM 1457 N ALA A 99 -9.119 0.450 0.158 1.00 0.60 N ATOM 1458 CA ALA A 99 -8.323 0.345 1.382 1.00 0.75 C ATOM 1459 C ALA A 99 -9.052 -0.423 2.501 1.00 1.01 C ATOM 1460 O ALA A 99 -10.284 -0.380 2.599 1.00 1.39 O ATOM 1461 CB ALA A 99 -7.922 1.757 1.830 1.00 0.77 C ATOM 0 H ALA A 99 -9.573 1.356 0.038 1.00 0.60 H new ATOM 0 HA ALA A 99 -7.428 -0.239 1.166 1.00 0.75 H new ATOM 0 HB1 ALA A 99 -7.328 1.694 2.742 1.00 0.77 H new ATOM 0 HB2 ALA A 99 -7.334 2.234 1.046 1.00 0.77 H new ATOM 0 HB3 ALA A 99 -8.819 2.347 2.021 1.00 0.77 H new ATOM 1467 N THR A 100 -8.285 -1.085 3.380 1.00 1.08 N ATOM 1468 CA THR A 100 -8.814 -1.684 4.627 1.00 1.34 C ATOM 1469 C THR A 100 -8.041 -1.313 5.895 1.00 1.36 C ATOM 1470 O THR A 100 -8.501 -1.625 6.997 1.00 1.51 O ATOM 1471 CB THR A 100 -8.981 -3.213 4.534 1.00 1.68 C ATOM 1472 OG1 THR A 100 -7.748 -3.865 4.325 1.00 2.80 O ATOM 1473 CG2 THR A 100 -9.906 -3.662 3.404 1.00 1.50 C ATOM 0 H THR A 100 -7.282 -1.223 3.252 1.00 1.08 H new ATOM 0 HA THR A 100 -9.801 -1.232 4.724 1.00 1.34 H new ATOM 0 HB THR A 100 -9.419 -3.487 5.494 1.00 1.68 H new ATOM 0 HG1 THR A 100 -7.894 -4.833 4.273 1.00 2.80 H new ATOM 0 HG21 THR A 100 -9.975 -4.750 3.401 1.00 1.50 H new ATOM 0 HG22 THR A 100 -10.898 -3.236 3.555 1.00 1.50 H new ATOM 0 HG23 THR A 100 -9.506 -3.321 2.449 1.00 1.50 H new ATOM 1481 N HIS A 101 -6.944 -0.557 5.778 1.00 1.27 N ATOM 1482 CA HIS A 101 -6.237 0.064 6.900 1.00 1.35 C ATOM 1483 C HIS A 101 -5.746 1.477 6.532 1.00 1.28 C ATOM 1484 O HIS A 101 -5.294 1.702 5.410 1.00 1.22 O ATOM 1485 CB HIS A 101 -5.022 -0.789 7.285 1.00 1.56 C ATOM 1486 CG HIS A 101 -5.298 -2.206 7.729 1.00 1.89 C ATOM 1487 ND1 HIS A 101 -4.777 -3.336 7.147 1.00 2.35 N ATOM 1488 CD2 HIS A 101 -6.003 -2.612 8.832 1.00 2.07 C ATOM 1489 CE1 HIS A 101 -5.174 -4.403 7.856 1.00 2.73 C ATOM 1490 NE2 HIS A 101 -5.904 -4.011 8.919 1.00 2.56 N ATOM 0 H HIS A 101 -6.513 -0.356 4.876 1.00 1.27 H new ATOM 0 HA HIS A 101 -6.933 0.134 7.736 1.00 1.35 H new ATOM 0 HB2 HIS A 101 -4.348 -0.826 6.429 1.00 1.56 H new ATOM 0 HB3 HIS A 101 -4.490 -0.279 8.088 1.00 1.56 H new ATOM 0 HD2 HIS A 101 -6.540 -1.970 9.514 1.00 2.07 H new ATOM 0 HE1 HIS A 101 -4.942 -5.429 7.610 1.00 2.73 H new ATOM 0 HE2 HIS A 101 -6.304 -4.610 9.641 1.00 2.56 H new ATOM 1498 N VAL A 102 -5.809 2.427 7.474 1.00 1.44 N ATOM 1499 CA VAL A 102 -5.114 3.731 7.358 1.00 1.60 C ATOM 1500 C VAL A 102 -3.625 3.533 7.629 1.00 1.81 C ATOM 1501 O VAL A 102 -3.244 2.496 8.161 1.00 1.81 O ATOM 1502 CB VAL A 102 -5.713 4.820 8.260 1.00 1.79 C ATOM 1503 CG1 VAL A 102 -7.102 5.176 7.741 1.00 2.21 C ATOM 1504 CG2 VAL A 102 -5.774 4.424 9.737 1.00 1.76 C ATOM 0 H VAL A 102 -6.340 2.321 8.339 1.00 1.44 H new ATOM 0 HA VAL A 102 -5.255 4.094 6.340 1.00 1.60 H new ATOM 0 HB VAL A 102 -5.052 5.686 8.216 1.00 1.79 H new ATOM 0 HG11 VAL A 102 -7.539 5.949 8.373 1.00 2.21 H new ATOM 0 HG12 VAL A 102 -7.025 5.544 6.718 1.00 2.21 H new ATOM 0 HG13 VAL A 102 -7.736 4.290 7.761 1.00 2.21 H new ATOM 0 HG21 VAL A 102 -6.208 5.240 10.315 1.00 1.76 H new ATOM 0 HG22 VAL A 102 -6.390 3.532 9.849 1.00 1.76 H new ATOM 0 HG23 VAL A 102 -4.767 4.217 10.100 1.00 1.76 H new ATOM 1514 N GLY A 103 -2.762 4.501 7.305 1.00 2.04 N ATOM 1515 CA GLY A 103 -1.304 4.275 7.301 1.00 2.26 C ATOM 1516 C GLY A 103 -0.726 3.801 8.640 1.00 2.45 C ATOM 1517 O GLY A 103 0.089 2.879 8.661 1.00 2.45 O ATOM 0 H GLY A 103 -3.041 5.446 7.042 1.00 2.04 H new ATOM 0 HA2 GLY A 103 -1.067 3.536 6.536 1.00 2.26 H new ATOM 0 HA3 GLY A 103 -0.807 5.202 7.014 1.00 2.26 H new ATOM 1521 N ALA A 104 -1.205 4.346 9.761 1.00 2.64 N ATOM 1522 CA ALA A 104 -0.816 3.900 11.105 1.00 2.87 C ATOM 1523 C ALA A 104 -1.333 2.479 11.441 1.00 2.65 C ATOM 1524 O ALA A 104 -0.629 1.679 12.060 1.00 2.73 O ATOM 1525 CB ALA A 104 -1.333 4.940 12.107 1.00 3.24 C ATOM 0 H ALA A 104 -1.877 5.113 9.764 1.00 2.64 H new ATOM 0 HA ALA A 104 0.270 3.825 11.157 1.00 2.87 H new ATOM 0 HB1 ALA A 104 -1.060 4.638 13.118 1.00 3.24 H new ATOM 0 HB2 ALA A 104 -0.889 5.911 11.886 1.00 3.24 H new ATOM 0 HB3 ALA A 104 -2.418 5.011 12.030 1.00 3.24 H new ATOM 1531 N ASP A 105 -2.560 2.181 11.016 1.00 2.45 N ATOM 1532 CA ASP A 105 -3.275 0.898 11.124 1.00 2.33 C ATOM 1533 C ASP A 105 -2.773 -0.196 10.146 1.00 2.01 C ATOM 1534 O ASP A 105 -3.226 -1.336 10.231 1.00 2.01 O ATOM 1535 CB ASP A 105 -4.778 1.211 10.952 1.00 2.53 C ATOM 1536 CG ASP A 105 -5.794 0.242 11.573 1.00 2.80 C ATOM 1537 OD1 ASP A 105 -5.432 -0.674 12.352 1.00 3.14 O ATOM 1538 OD2 ASP A 105 -7.005 0.489 11.354 1.00 3.74 O ATOM 0 H ASP A 105 -3.131 2.885 10.548 1.00 2.45 H new ATOM 0 HA ASP A 105 -3.079 0.457 12.101 1.00 2.33 H new ATOM 0 HB2 ASP A 105 -4.962 2.201 11.370 1.00 2.53 H new ATOM 0 HB3 ASP A 105 -4.986 1.272 9.884 1.00 2.53 H new ATOM 1543 N THR A 106 -1.885 0.122 9.188 1.00 1.83 N ATOM 1544 CA THR A 106 -1.435 -0.821 8.136 1.00 1.63 C ATOM 1545 C THR A 106 -0.670 -2.025 8.683 1.00 1.54 C ATOM 1546 O THR A 106 -0.061 -1.981 9.751 1.00 1.46 O ATOM 1547 CB THR A 106 -0.555 -0.182 7.040 1.00 1.60 C ATOM 1548 OG1 THR A 106 0.573 0.474 7.566 1.00 2.05 O ATOM 1549 CG2 THR A 106 -1.290 0.726 6.068 1.00 2.01 C ATOM 0 H THR A 106 -1.454 1.044 9.117 1.00 1.83 H new ATOM 0 HA THR A 106 -2.379 -1.143 7.696 1.00 1.63 H new ATOM 0 HB THR A 106 -0.223 -1.039 6.454 1.00 1.60 H new ATOM 0 HG1 THR A 106 0.355 1.414 7.735 1.00 2.05 H new ATOM 0 HG21 THR A 106 -0.585 1.125 5.338 1.00 2.01 H new ATOM 0 HG22 THR A 106 -2.063 0.157 5.552 1.00 2.01 H new ATOM 0 HG23 THR A 106 -1.750 1.549 6.615 1.00 2.01 H new ATOM 1557 N THR A 107 -0.618 -3.096 7.888 1.00 1.63 N ATOM 1558 CA THR A 107 0.145 -4.323 8.188 1.00 1.64 C ATOM 1559 C THR A 107 1.634 -4.075 8.546 1.00 1.39 C ATOM 1560 O THR A 107 2.228 -4.835 9.309 1.00 1.36 O ATOM 1561 CB THR A 107 -0.043 -5.300 7.010 1.00 1.98 C ATOM 1562 OG1 THR A 107 0.317 -6.615 7.347 1.00 2.12 O ATOM 1563 CG2 THR A 107 0.732 -4.917 5.748 1.00 2.53 C ATOM 0 H THR A 107 -1.113 -3.142 6.998 1.00 1.63 H new ATOM 0 HA THR A 107 -0.253 -4.766 9.101 1.00 1.64 H new ATOM 0 HB THR A 107 -1.110 -5.237 6.794 1.00 1.98 H new ATOM 0 HG1 THR A 107 0.181 -7.200 6.573 1.00 2.12 H new ATOM 0 HG21 THR A 107 0.545 -5.655 4.968 1.00 2.53 H new ATOM 0 HG22 THR A 107 0.405 -3.936 5.404 1.00 2.53 H new ATOM 0 HG23 THR A 107 1.799 -4.887 5.971 1.00 2.53 H new ATOM 1571 N LEU A 108 2.231 -2.955 8.106 1.00 1.31 N ATOM 1572 CA LEU A 108 3.601 -2.545 8.464 1.00 1.14 C ATOM 1573 C LEU A 108 3.791 -2.354 9.976 1.00 0.91 C ATOM 1574 O LEU A 108 4.787 -2.821 10.533 1.00 0.89 O ATOM 1575 CB LEU A 108 3.954 -1.208 7.790 1.00 1.37 C ATOM 1576 CG LEU A 108 4.342 -1.258 6.306 1.00 1.00 C ATOM 1577 CD1 LEU A 108 3.210 -1.706 5.394 1.00 1.93 C ATOM 1578 CD2 LEU A 108 4.716 0.156 5.885 1.00 1.04 C ATOM 0 H LEU A 108 1.767 -2.296 7.480 1.00 1.31 H new ATOM 0 HA LEU A 108 4.250 -3.351 8.122 1.00 1.14 H new ATOM 0 HB2 LEU A 108 3.099 -0.540 7.895 1.00 1.37 H new ATOM 0 HB3 LEU A 108 4.780 -0.758 8.341 1.00 1.37 H new ATOM 0 HG LEU A 108 5.154 -1.979 6.208 1.00 1.00 H new ATOM 0 HD11 LEU A 108 3.558 -1.717 4.361 1.00 1.93 H new ATOM 0 HD12 LEU A 108 2.888 -2.707 5.679 1.00 1.93 H new ATOM 0 HD13 LEU A 108 2.372 -1.015 5.487 1.00 1.93 H new ATOM 0 HD21 LEU A 108 4.998 0.159 4.832 1.00 1.04 H new ATOM 0 HD22 LEU A 108 3.863 0.818 6.034 1.00 1.04 H new ATOM 0 HD23 LEU A 108 5.555 0.505 6.487 1.00 1.04 H new ATOM 1590 N SER A 109 2.847 -1.683 10.647 1.00 0.87 N ATOM 1591 CA SER A 109 2.934 -1.451 12.095 1.00 0.89 C ATOM 1592 C SER A 109 2.714 -2.738 12.890 1.00 0.94 C ATOM 1593 O SER A 109 3.196 -2.856 14.014 1.00 1.09 O ATOM 1594 CB SER A 109 1.977 -0.339 12.541 1.00 1.05 C ATOM 1595 OG SER A 109 0.624 -0.706 12.358 1.00 2.14 O ATOM 0 H SER A 109 2.013 -1.291 10.210 1.00 0.87 H new ATOM 0 HA SER A 109 3.948 -1.114 12.309 1.00 0.89 H new ATOM 0 HB2 SER A 109 2.152 -0.109 13.592 1.00 1.05 H new ATOM 0 HB3 SER A 109 2.187 0.569 11.976 1.00 1.05 H new ATOM 0 HG SER A 109 0.100 0.086 12.114 1.00 2.14 H new ATOM 1601 N GLN A 110 2.069 -3.745 12.294 1.00 1.00 N ATOM 1602 CA GLN A 110 1.919 -5.065 12.922 1.00 1.22 C ATOM 1603 C GLN A 110 3.259 -5.817 12.959 1.00 1.30 C ATOM 1604 O GLN A 110 3.577 -6.439 13.971 1.00 1.50 O ATOM 1605 CB GLN A 110 0.809 -5.858 12.208 1.00 1.36 C ATOM 1606 CG GLN A 110 0.506 -7.237 12.811 1.00 1.81 C ATOM 1607 CD GLN A 110 -0.341 -7.145 14.068 1.00 2.04 C ATOM 1608 OE1 GLN A 110 0.051 -7.534 15.162 1.00 2.41 O ATOM 1609 NE2 GLN A 110 -1.549 -6.660 13.943 1.00 2.02 N ATOM 0 H GLN A 110 1.639 -3.672 11.372 1.00 1.00 H new ATOM 0 HA GLN A 110 1.616 -4.938 13.961 1.00 1.22 H new ATOM 0 HB2 GLN A 110 -0.105 -5.265 12.219 1.00 1.36 H new ATOM 0 HB3 GLN A 110 1.091 -5.989 11.163 1.00 1.36 H new ATOM 0 HG2 GLN A 110 -0.011 -7.848 12.071 1.00 1.81 H new ATOM 0 HG3 GLN A 110 1.443 -7.743 13.044 1.00 1.81 H new ATOM 0 HE21 GLN A 110 -1.877 -6.336 13.033 1.00 2.02 H new ATOM 0 HE22 GLN A 110 -2.163 -6.606 14.755 1.00 2.02 H new ATOM 1618 N ILE A 111 4.083 -5.715 11.908 1.00 1.21 N ATOM 1619 CA ILE A 111 5.398 -6.381 11.839 1.00 1.28 C ATOM 1620 C ILE A 111 6.311 -5.908 12.982 1.00 1.16 C ATOM 1621 O ILE A 111 6.788 -6.725 13.772 1.00 1.28 O ATOM 1622 CB ILE A 111 6.051 -6.183 10.447 1.00 1.31 C ATOM 1623 CG1 ILE A 111 5.202 -6.876 9.354 1.00 1.59 C ATOM 1624 CG2 ILE A 111 7.493 -6.734 10.428 1.00 1.34 C ATOM 1625 CD1 ILE A 111 5.582 -6.485 7.919 1.00 1.72 C ATOM 0 H ILE A 111 3.859 -5.167 11.077 1.00 1.21 H new ATOM 0 HA ILE A 111 5.248 -7.453 11.969 1.00 1.28 H new ATOM 0 HB ILE A 111 6.092 -5.113 10.241 1.00 1.31 H new ATOM 0 HG12 ILE A 111 5.302 -7.956 9.463 1.00 1.59 H new ATOM 0 HG13 ILE A 111 4.152 -6.635 9.518 1.00 1.59 H new ATOM 0 HG21 ILE A 111 7.927 -6.582 9.440 1.00 1.34 H new ATOM 0 HG22 ILE A 111 8.093 -6.210 11.172 1.00 1.34 H new ATOM 0 HG23 ILE A 111 7.479 -7.799 10.658 1.00 1.34 H new ATOM 0 HD11 ILE A 111 4.940 -7.015 7.215 1.00 1.72 H new ATOM 0 HD12 ILE A 111 5.454 -5.410 7.789 1.00 1.72 H new ATOM 0 HD13 ILE A 111 6.622 -6.752 7.732 1.00 1.72 H new ATOM 1637 N VAL A 112 6.516 -4.594 13.130 1.00 1.00 N ATOM 1638 CA VAL A 112 7.399 -4.051 14.184 1.00 0.99 C ATOM 1639 C VAL A 112 6.855 -4.265 15.600 1.00 1.18 C ATOM 1640 O VAL A 112 7.636 -4.316 16.552 1.00 1.31 O ATOM 1641 CB VAL A 112 7.737 -2.565 13.955 1.00 0.94 C ATOM 1642 CG1 VAL A 112 8.416 -2.362 12.597 1.00 0.88 C ATOM 1643 CG2 VAL A 112 6.516 -1.642 14.014 1.00 0.99 C ATOM 0 H VAL A 112 6.086 -3.884 12.538 1.00 1.00 H new ATOM 0 HA VAL A 112 8.321 -4.626 14.105 1.00 0.99 H new ATOM 0 HB VAL A 112 8.407 -2.297 14.772 1.00 0.94 H new ATOM 0 HG11 VAL A 112 8.645 -1.305 12.459 1.00 0.88 H new ATOM 0 HG12 VAL A 112 9.339 -2.941 12.562 1.00 0.88 H new ATOM 0 HG13 VAL A 112 7.748 -2.696 11.803 1.00 0.88 H new ATOM 0 HG21 VAL A 112 6.830 -0.612 13.844 1.00 0.99 H new ATOM 0 HG22 VAL A 112 5.801 -1.935 13.245 1.00 0.99 H new ATOM 0 HG23 VAL A 112 6.047 -1.721 14.995 1.00 0.99 H new