USER MOD reduce.3.24.130724 H: found=0, std=0, add=776, rem=0, adj=20 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 106 THR OG1 : rot -81:sc= 2.2 USER MOD Set 1.2: A 109 SER OG : rot -79:sc= 1.03 USER MOD Set 2.1: A 100 THR OG1 : rot 56:sc= 0.284 USER MOD Set 2.2: A 101 HIS : no HE2:sc= 0.771 K(o=1.1,f=-1.7!) 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= -0.701 X(o=-0.7,f=-0.7) USER MOD Single : A 13 THR OG1 : rot 79:sc= 1.32 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 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 31 GLN : amide:sc= -0.013 X(o=-0.013,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= -0.129 X(o=-0.13,f=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0.294 USER MOD Single : A 63 MET CE :methyl 167:sc= 0 (180deg=-0.0981) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot -136:sc= 0.336 USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ -178:sc= 1.97 (180deg=1.97) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot -130:sc= 0.632 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot -71:sc= 1.2 USER MOD Single : A 90 ASN : amide:sc= 1.18 K(o=1.2,f=-0.67) USER MOD Single : A 91 GLN : amide:sc= -0.195 X(o=-0.2,f=-0.2) USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 98 CYS SG : rot 180:sc= -0.56 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 27 N ALA A 3 15.980 -2.341 10.199 1.00 1.39 N ATOM 28 CA ALA A 3 14.759 -2.869 9.584 1.00 1.27 C ATOM 29 C ALA A 3 13.483 -2.551 10.399 1.00 1.07 C ATOM 30 O ALA A 3 12.444 -2.234 9.818 1.00 1.09 O ATOM 31 CB ALA A 3 14.924 -4.376 9.367 1.00 1.40 C ATOM 0 HA ALA A 3 14.621 -2.370 8.625 1.00 1.27 H new ATOM 0 HB1 ALA A 3 14.020 -4.779 8.910 1.00 1.40 H new ATOM 0 HB2 ALA A 3 15.775 -4.558 8.711 1.00 1.40 H new ATOM 0 HB3 ALA A 3 15.094 -4.865 10.326 1.00 1.40 H new ATOM 37 N LEU A 4 13.567 -2.532 11.735 1.00 1.03 N ATOM 38 CA LEU A 4 12.441 -2.190 12.614 1.00 0.96 C ATOM 39 C LEU A 4 12.030 -0.708 12.487 1.00 0.95 C ATOM 40 O LEU A 4 10.861 -0.374 12.691 1.00 1.11 O ATOM 41 CB LEU A 4 12.816 -2.572 14.060 1.00 1.05 C ATOM 42 CG LEU A 4 11.672 -2.478 15.083 1.00 1.11 C ATOM 43 CD1 LEU A 4 10.659 -3.595 14.870 1.00 1.29 C ATOM 44 CD2 LEU A 4 12.230 -2.623 16.494 1.00 1.45 C ATOM 0 H LEU A 4 14.424 -2.755 12.240 1.00 1.03 H new ATOM 0 HA LEU A 4 11.562 -2.758 12.310 1.00 0.96 H new ATOM 0 HB2 LEU A 4 13.199 -3.593 14.061 1.00 1.05 H new ATOM 0 HB3 LEU A 4 13.630 -1.926 14.389 1.00 1.05 H new ATOM 0 HG LEU A 4 11.188 -1.510 14.952 1.00 1.11 H new ATOM 0 HD11 LEU A 4 9.860 -3.507 15.606 1.00 1.29 H new ATOM 0 HD12 LEU A 4 10.239 -3.519 13.867 1.00 1.29 H new ATOM 0 HD13 LEU A 4 11.152 -4.560 14.984 1.00 1.29 H new ATOM 0 HD21 LEU A 4 11.416 -2.556 17.216 1.00 1.45 H new ATOM 0 HD22 LEU A 4 12.723 -3.590 16.593 1.00 1.45 H new ATOM 0 HD23 LEU A 4 12.950 -1.827 16.684 1.00 1.45 H new ATOM 56 N ALA A 5 12.970 0.182 12.147 1.00 0.96 N ATOM 57 CA ALA A 5 12.660 1.552 11.738 1.00 1.03 C ATOM 58 C ALA A 5 12.133 1.599 10.287 1.00 0.93 C ATOM 59 O ALA A 5 11.121 2.258 10.022 1.00 1.05 O ATOM 60 CB ALA A 5 13.891 2.442 11.945 1.00 1.23 C ATOM 0 H ALA A 5 13.968 -0.030 12.149 1.00 0.96 H new ATOM 0 HA ALA A 5 11.857 1.940 12.364 1.00 1.03 H new ATOM 0 HB1 ALA A 5 13.658 3.462 11.640 1.00 1.23 H new ATOM 0 HB2 ALA A 5 14.173 2.434 12.998 1.00 1.23 H new ATOM 0 HB3 ALA A 5 14.719 2.064 11.345 1.00 1.23 H new ATOM 66 N LYS A 6 12.783 0.884 9.351 1.00 0.84 N ATOM 67 CA LYS A 6 12.501 0.873 7.906 1.00 0.80 C ATOM 68 C LYS A 6 11.044 0.561 7.580 1.00 0.75 C ATOM 69 O LYS A 6 10.458 1.271 6.769 1.00 0.83 O ATOM 70 CB LYS A 6 13.456 -0.133 7.247 1.00 0.87 C ATOM 71 CG LYS A 6 13.326 -0.147 5.723 1.00 1.01 C ATOM 72 CD LYS A 6 14.370 -1.073 5.095 1.00 1.33 C ATOM 73 CE LYS A 6 14.089 -1.140 3.598 1.00 1.81 C ATOM 74 NZ LYS A 6 15.134 -1.888 2.867 1.00 2.28 N ATOM 0 H LYS A 6 13.558 0.268 9.595 1.00 0.84 H new ATOM 0 HA LYS A 6 12.668 1.874 7.508 1.00 0.80 H new ATOM 0 HB2 LYS A 6 14.483 0.112 7.519 1.00 0.87 H new ATOM 0 HB3 LYS A 6 13.253 -1.131 7.636 1.00 0.87 H new ATOM 0 HG2 LYS A 6 12.326 -0.477 5.442 1.00 1.01 H new ATOM 0 HG3 LYS A 6 13.449 0.864 5.334 1.00 1.01 H new ATOM 0 HD2 LYS A 6 15.376 -0.696 5.279 1.00 1.33 H new ATOM 0 HD3 LYS A 6 14.316 -2.067 5.539 1.00 1.33 H new ATOM 0 HE2 LYS A 6 13.122 -1.615 3.432 1.00 1.81 H new ATOM 0 HE3 LYS A 6 14.021 -0.129 3.197 1.00 1.81 H new ATOM 0 HZ1 LYS A 6 14.902 -1.908 1.853 1.00 2.28 H new ATOM 0 HZ2 LYS A 6 16.054 -1.422 3.002 1.00 2.28 H new ATOM 0 HZ3 LYS A 6 15.183 -2.861 3.230 1.00 2.28 H new ATOM 88 N LEU A 7 10.440 -0.429 8.245 1.00 0.68 N ATOM 89 CA LEU A 7 9.021 -0.787 8.079 1.00 0.74 C ATOM 90 C LEU A 7 8.095 0.449 8.141 1.00 0.86 C ATOM 91 O LEU A 7 7.266 0.641 7.257 1.00 0.98 O ATOM 92 CB LEU A 7 8.638 -1.836 9.149 1.00 0.72 C ATOM 93 CG LEU A 7 8.695 -3.332 8.762 1.00 0.73 C ATOM 94 CD1 LEU A 7 7.603 -3.702 7.764 1.00 0.95 C ATOM 95 CD2 LEU A 7 10.030 -3.789 8.181 1.00 0.80 C ATOM 0 H LEU A 7 10.927 -1.014 8.924 1.00 0.68 H new ATOM 0 HA LEU A 7 8.884 -1.215 7.086 1.00 0.74 H new ATOM 0 HB2 LEU A 7 9.293 -1.690 10.008 1.00 0.72 H new ATOM 0 HB3 LEU A 7 7.623 -1.617 9.481 1.00 0.72 H new ATOM 0 HG LEU A 7 8.548 -3.847 9.712 1.00 0.73 H new ATOM 0 HD11 LEU A 7 7.678 -4.761 7.518 1.00 0.95 H new ATOM 0 HD12 LEU A 7 6.626 -3.500 8.202 1.00 0.95 H new ATOM 0 HD13 LEU A 7 7.723 -3.110 6.857 1.00 0.95 H new ATOM 0 HD21 LEU A 7 9.977 -4.851 7.939 1.00 0.80 H new ATOM 0 HD22 LEU A 7 10.247 -3.221 7.276 1.00 0.80 H new ATOM 0 HD23 LEU A 7 10.821 -3.622 8.912 1.00 0.80 H new ATOM 107 N ILE A 8 8.259 1.323 9.139 1.00 0.95 N ATOM 108 CA ILE A 8 7.467 2.561 9.273 1.00 1.14 C ATOM 109 C ILE A 8 7.865 3.656 8.261 1.00 1.07 C ATOM 110 O ILE A 8 6.996 4.388 7.773 1.00 1.11 O ATOM 111 CB ILE A 8 7.488 3.037 10.745 1.00 1.45 C ATOM 112 CG1 ILE A 8 6.847 1.993 11.693 1.00 1.65 C ATOM 113 CG2 ILE A 8 6.811 4.406 10.936 1.00 1.63 C ATOM 114 CD1 ILE A 8 5.367 1.659 11.439 1.00 1.81 C ATOM 0 H ILE A 8 8.946 1.196 9.882 1.00 0.95 H new ATOM 0 HA ILE A 8 6.434 2.333 9.011 1.00 1.14 H new ATOM 0 HB ILE A 8 8.540 3.149 11.006 1.00 1.45 H new ATOM 0 HG12 ILE A 8 7.423 1.070 11.624 1.00 1.65 H new ATOM 0 HG13 ILE A 8 6.945 2.355 12.717 1.00 1.65 H new ATOM 0 HG21 ILE A 8 6.855 4.690 11.987 1.00 1.63 H new ATOM 0 HG22 ILE A 8 7.328 5.155 10.336 1.00 1.63 H new ATOM 0 HG23 ILE A 8 5.770 4.344 10.620 1.00 1.63 H new ATOM 0 HD11 ILE A 8 5.032 0.918 12.164 1.00 1.81 H new ATOM 0 HD12 ILE A 8 4.767 2.563 11.541 1.00 1.81 H new ATOM 0 HD13 ILE A 8 5.252 1.259 10.432 1.00 1.81 H new ATOM 126 N SER A 9 9.152 3.759 7.907 1.00 1.04 N ATOM 127 CA SER A 9 9.674 4.769 6.965 1.00 1.11 C ATOM 128 C SER A 9 9.394 4.461 5.481 1.00 0.93 C ATOM 129 O SER A 9 9.281 5.393 4.683 1.00 1.03 O ATOM 130 CB SER A 9 11.170 5.010 7.205 1.00 1.44 C ATOM 131 OG SER A 9 11.369 5.926 8.275 1.00 1.96 O ATOM 0 H SER A 9 9.874 3.136 8.270 1.00 1.04 H new ATOM 0 HA SER A 9 9.120 5.684 7.177 1.00 1.11 H new ATOM 0 HB2 SER A 9 11.663 4.065 7.433 1.00 1.44 H new ATOM 0 HB3 SER A 9 11.631 5.399 6.297 1.00 1.44 H new ATOM 0 HG SER A 9 12.329 6.064 8.413 1.00 1.96 H new ATOM 137 N LEU A 10 9.186 3.194 5.102 1.00 0.86 N ATOM 138 CA LEU A 10 8.786 2.765 3.747 1.00 1.01 C ATOM 139 C LEU A 10 7.455 3.383 3.266 1.00 1.15 C ATOM 140 O LEU A 10 7.177 3.411 2.063 1.00 1.36 O ATOM 141 CB LEU A 10 8.658 1.225 3.750 1.00 1.07 C ATOM 142 CG LEU A 10 9.986 0.465 3.586 1.00 1.30 C ATOM 143 CD1 LEU A 10 9.804 -1.004 3.966 1.00 1.66 C ATOM 144 CD2 LEU A 10 10.457 0.490 2.136 1.00 1.95 C ATOM 0 H LEU A 10 9.294 2.411 5.747 1.00 0.86 H new ATOM 0 HA LEU A 10 9.553 3.113 3.055 1.00 1.01 H new ATOM 0 HB2 LEU A 10 8.192 0.915 4.685 1.00 1.07 H new ATOM 0 HB3 LEU A 10 7.985 0.929 2.945 1.00 1.07 H new ATOM 0 HG LEU A 10 10.716 0.954 4.232 1.00 1.30 H new ATOM 0 HD11 LEU A 10 10.751 -1.531 3.846 1.00 1.66 H new ATOM 0 HD12 LEU A 10 9.479 -1.074 5.004 1.00 1.66 H new ATOM 0 HD13 LEU A 10 9.052 -1.457 3.319 1.00 1.66 H new ATOM 0 HD21 LEU A 10 11.397 -0.054 2.049 1.00 1.95 H new ATOM 0 HD22 LEU A 10 9.706 0.020 1.501 1.00 1.95 H new ATOM 0 HD23 LEU A 10 10.605 1.522 1.819 1.00 1.95 H new ATOM 156 N GLN A 11 6.622 3.845 4.199 1.00 1.14 N ATOM 157 CA GLN A 11 5.275 4.351 3.940 1.00 1.30 C ATOM 158 C GLN A 11 5.253 5.778 3.375 1.00 1.28 C ATOM 159 O GLN A 11 5.985 6.666 3.829 1.00 1.26 O ATOM 160 CB GLN A 11 4.429 4.254 5.206 1.00 1.39 C ATOM 161 CG GLN A 11 4.206 2.784 5.572 1.00 1.45 C ATOM 162 CD GLN A 11 3.325 2.671 6.797 1.00 1.64 C ATOM 163 OE1 GLN A 11 2.184 2.235 6.736 1.00 2.54 O ATOM 164 NE2 GLN A 11 3.804 3.099 7.937 1.00 1.90 N ATOM 0 H GLN A 11 6.875 3.878 5.187 1.00 1.14 H new ATOM 0 HA GLN A 11 4.846 3.718 3.163 1.00 1.30 H new ATOM 0 HB2 GLN A 11 4.926 4.771 6.027 1.00 1.39 H new ATOM 0 HB3 GLN A 11 3.470 4.749 5.052 1.00 1.39 H new ATOM 0 HG2 GLN A 11 3.744 2.261 4.735 1.00 1.45 H new ATOM 0 HG3 GLN A 11 5.165 2.300 5.760 1.00 1.45 H new ATOM 0 HE21 GLN A 11 4.756 3.462 7.986 1.00 1.90 H new ATOM 0 HE22 GLN A 11 3.226 3.069 8.777 1.00 1.90 H new ATOM 173 N ALA A 12 4.331 6.007 2.441 1.00 1.40 N ATOM 174 CA ALA A 12 4.075 7.313 1.841 1.00 1.34 C ATOM 175 C ALA A 12 3.560 8.346 2.861 1.00 1.24 C ATOM 176 O ALA A 12 2.952 7.996 3.875 1.00 1.78 O ATOM 177 CB ALA A 12 3.072 7.117 0.703 1.00 1.48 C ATOM 0 H ALA A 12 3.728 5.271 2.073 1.00 1.40 H new ATOM 0 HA ALA A 12 5.013 7.718 1.462 1.00 1.34 H new ATOM 0 HB1 ALA A 12 2.861 8.078 0.235 1.00 1.48 H new ATOM 0 HB2 ALA A 12 3.491 6.436 -0.038 1.00 1.48 H new ATOM 0 HB3 ALA A 12 2.148 6.696 1.101 1.00 1.48 H new ATOM 183 N THR A 13 3.789 9.628 2.580 1.00 1.41 N ATOM 184 CA THR A 13 3.297 10.779 3.364 1.00 1.36 C ATOM 185 C THR A 13 1.934 11.302 2.895 1.00 1.12 C ATOM 186 O THR A 13 1.292 12.120 3.556 1.00 1.20 O ATOM 187 CB THR A 13 4.334 11.912 3.314 1.00 1.57 C ATOM 188 OG1 THR A 13 5.048 11.957 2.091 1.00 2.58 O ATOM 189 CG2 THR A 13 5.392 11.684 4.384 1.00 2.05 C ATOM 0 H THR A 13 4.342 9.913 1.772 1.00 1.41 H new ATOM 0 HA THR A 13 3.157 10.427 4.386 1.00 1.36 H new ATOM 0 HB THR A 13 3.769 12.834 3.451 1.00 1.57 H new ATOM 0 HG1 THR A 13 4.495 12.385 1.405 1.00 2.58 H new ATOM 0 HG21 THR A 13 6.126 12.489 4.347 1.00 2.05 H new ATOM 0 HG22 THR A 13 4.919 11.669 5.366 1.00 2.05 H new ATOM 0 HG23 THR A 13 5.889 10.730 4.207 1.00 2.05 H new ATOM 197 N GLU A 14 1.502 10.859 1.723 1.00 0.94 N ATOM 198 CA GLU A 14 0.286 11.277 1.021 1.00 0.79 C ATOM 199 C GLU A 14 -0.408 10.131 0.275 1.00 0.73 C ATOM 200 O GLU A 14 0.189 9.087 0.000 1.00 0.80 O ATOM 201 CB GLU A 14 0.602 12.438 0.058 1.00 0.89 C ATOM 202 CG GLU A 14 1.598 12.090 -1.060 1.00 1.00 C ATOM 203 CD GLU A 14 2.999 11.841 -0.507 1.00 1.92 C ATOM 204 OE1 GLU A 14 3.580 12.769 0.108 1.00 2.84 O ATOM 205 OE2 GLU A 14 3.497 10.690 -0.574 1.00 3.17 O ATOM 0 H GLU A 14 2.021 10.153 1.200 1.00 0.94 H new ATOM 0 HA GLU A 14 -0.416 11.614 1.783 1.00 0.79 H new ATOM 0 HB2 GLU A 14 -0.328 12.780 -0.396 1.00 0.89 H new ATOM 0 HB3 GLU A 14 1.001 13.273 0.635 1.00 0.89 H new ATOM 0 HG2 GLU A 14 1.253 11.203 -1.592 1.00 1.00 H new ATOM 0 HG3 GLU A 14 1.631 12.904 -1.785 1.00 1.00 H new ATOM 212 N ALA A 15 -1.661 10.367 -0.110 1.00 0.65 N ATOM 213 CA ALA A 15 -2.455 9.502 -0.977 1.00 0.63 C ATOM 214 C ALA A 15 -3.296 10.321 -1.976 1.00 0.62 C ATOM 215 O ALA A 15 -3.501 11.529 -1.802 1.00 0.73 O ATOM 216 CB ALA A 15 -3.320 8.604 -0.082 1.00 0.62 C ATOM 0 H ALA A 15 -2.170 11.200 0.186 1.00 0.65 H new ATOM 0 HA ALA A 15 -1.802 8.879 -1.588 1.00 0.63 H new ATOM 0 HB1 ALA A 15 -3.926 7.945 -0.704 1.00 0.62 H new ATOM 0 HB2 ALA A 15 -2.677 8.005 0.562 1.00 0.62 H new ATOM 0 HB3 ALA A 15 -3.973 9.224 0.533 1.00 0.62 H new ATOM 222 N THR A 16 -3.789 9.655 -3.021 1.00 0.58 N ATOM 223 CA THR A 16 -4.764 10.194 -3.982 1.00 0.53 C ATOM 224 C THR A 16 -6.080 9.423 -3.882 1.00 0.50 C ATOM 225 O THR A 16 -6.169 8.278 -4.325 1.00 0.58 O ATOM 226 CB THR A 16 -4.212 10.161 -5.416 1.00 0.65 C ATOM 227 OG1 THR A 16 -3.026 10.926 -5.497 1.00 0.80 O ATOM 228 CG2 THR A 16 -5.178 10.793 -6.419 1.00 0.68 C ATOM 0 H THR A 16 -3.515 8.695 -3.232 1.00 0.58 H new ATOM 0 HA THR A 16 -4.952 11.238 -3.731 1.00 0.53 H new ATOM 0 HB THR A 16 -4.048 9.110 -5.653 1.00 0.65 H new ATOM 0 HG1 THR A 16 -2.681 10.898 -6.414 1.00 0.80 H new ATOM 0 HG21 THR A 16 -4.746 10.747 -7.419 1.00 0.68 H new ATOM 0 HG22 THR A 16 -6.123 10.249 -6.407 1.00 0.68 H new ATOM 0 HG23 THR A 16 -5.355 11.834 -6.148 1.00 0.68 H new ATOM 236 N ILE A 17 -7.111 10.043 -3.303 1.00 0.46 N ATOM 237 CA ILE A 17 -8.469 9.478 -3.243 1.00 0.49 C ATOM 238 C ILE A 17 -9.160 9.758 -4.581 1.00 0.61 C ATOM 239 O ILE A 17 -9.116 10.885 -5.072 1.00 0.65 O ATOM 240 CB ILE A 17 -9.266 10.041 -2.038 1.00 0.50 C ATOM 241 CG1 ILE A 17 -8.566 9.667 -0.708 1.00 0.60 C ATOM 242 CG2 ILE A 17 -10.719 9.526 -2.053 1.00 0.59 C ATOM 243 CD1 ILE A 17 -9.246 10.205 0.558 1.00 0.65 C ATOM 0 H ILE A 17 -7.031 10.958 -2.858 1.00 0.46 H new ATOM 0 HA ILE A 17 -8.420 8.401 -3.084 1.00 0.49 H new ATOM 0 HB ILE A 17 -9.293 11.127 -2.121 1.00 0.50 H new ATOM 0 HG12 ILE A 17 -8.509 8.581 -0.638 1.00 0.60 H new ATOM 0 HG13 ILE A 17 -7.542 10.038 -0.737 1.00 0.60 H new ATOM 0 HG21 ILE A 17 -11.259 9.934 -1.198 1.00 0.59 H new ATOM 0 HG22 ILE A 17 -11.207 9.842 -2.975 1.00 0.59 H new ATOM 0 HG23 ILE A 17 -10.720 8.437 -1.996 1.00 0.59 H new ATOM 0 HD11 ILE A 17 -8.682 9.890 1.436 1.00 0.65 H new ATOM 0 HD12 ILE A 17 -9.279 11.294 0.519 1.00 0.65 H new ATOM 0 HD13 ILE A 17 -10.261 9.814 0.620 1.00 0.65 H new ATOM 255 N VAL A 18 -9.809 8.749 -5.171 1.00 0.75 N ATOM 256 CA VAL A 18 -10.513 8.877 -6.457 1.00 0.97 C ATOM 257 C VAL A 18 -11.951 8.397 -6.326 1.00 1.34 C ATOM 258 O VAL A 18 -12.216 7.232 -6.015 1.00 1.74 O ATOM 259 CB VAL A 18 -9.762 8.165 -7.598 1.00 1.29 C ATOM 260 CG1 VAL A 18 -10.481 8.365 -8.940 1.00 1.53 C ATOM 261 CG2 VAL A 18 -8.336 8.718 -7.705 1.00 2.28 C ATOM 0 H VAL A 18 -9.863 7.813 -4.769 1.00 0.75 H new ATOM 0 HA VAL A 18 -10.539 9.933 -6.725 1.00 0.97 H new ATOM 0 HB VAL A 18 -9.733 7.099 -7.371 1.00 1.29 H new ATOM 0 HG11 VAL A 18 -9.930 7.852 -9.728 1.00 1.53 H new ATOM 0 HG12 VAL A 18 -11.489 7.956 -8.877 1.00 1.53 H new ATOM 0 HG13 VAL A 18 -10.535 9.429 -9.169 1.00 1.53 H new ATOM 0 HG21 VAL A 18 -7.809 8.211 -8.513 1.00 2.28 H new ATOM 0 HG22 VAL A 18 -8.375 9.788 -7.912 1.00 2.28 H new ATOM 0 HG23 VAL A 18 -7.809 8.549 -6.766 1.00 2.28 H new ATOM 271 N THR A 19 -12.881 9.319 -6.567 1.00 1.32 N ATOM 272 CA THR A 19 -14.319 9.148 -6.339 1.00 1.71 C ATOM 273 C THR A 19 -15.095 9.604 -7.572 1.00 1.62 C ATOM 274 O THR A 19 -14.696 10.554 -8.251 1.00 1.37 O ATOM 275 CB THR A 19 -14.742 9.932 -5.086 1.00 1.96 C ATOM 276 OG1 THR A 19 -13.970 9.520 -3.977 1.00 2.25 O ATOM 277 CG2 THR A 19 -16.202 9.729 -4.696 1.00 2.42 C ATOM 0 H THR A 19 -12.648 10.239 -6.940 1.00 1.32 H new ATOM 0 HA THR A 19 -14.544 8.095 -6.170 1.00 1.71 H new ATOM 0 HB THR A 19 -14.589 10.981 -5.339 1.00 1.96 H new ATOM 0 HG1 THR A 19 -14.243 10.025 -3.183 1.00 2.25 H new ATOM 0 HG21 THR A 19 -16.425 10.314 -3.804 1.00 2.42 H new ATOM 0 HG22 THR A 19 -16.846 10.055 -5.513 1.00 2.42 H new ATOM 0 HG23 THR A 19 -16.381 8.673 -4.492 1.00 2.42 H new ATOM 391 N LEU A 27 -14.988 11.619 -13.147 1.00 1.86 N ATOM 392 CA LEU A 27 -13.847 11.392 -12.250 1.00 1.60 C ATOM 393 C LEU A 27 -13.532 12.650 -11.425 1.00 1.21 C ATOM 394 O LEU A 27 -13.419 13.750 -11.976 1.00 1.44 O ATOM 395 CB LEU A 27 -12.614 10.911 -13.045 1.00 1.98 C ATOM 396 CG LEU A 27 -12.562 9.405 -13.363 1.00 2.42 C ATOM 397 CD1 LEU A 27 -13.647 8.949 -14.341 1.00 2.85 C ATOM 398 CD2 LEU A 27 -11.208 9.071 -13.989 1.00 3.09 C ATOM 0 HA LEU A 27 -14.117 10.603 -11.548 1.00 1.60 H new ATOM 0 HB2 LEU A 27 -12.574 11.462 -13.985 1.00 1.98 H new ATOM 0 HB3 LEU A 27 -11.718 11.175 -12.483 1.00 1.98 H new ATOM 0 HG LEU A 27 -12.722 8.887 -12.417 1.00 2.42 H new ATOM 0 HD11 LEU A 27 -13.550 7.878 -14.519 1.00 2.85 H new ATOM 0 HD12 LEU A 27 -14.629 9.159 -13.918 1.00 2.85 H new ATOM 0 HD13 LEU A 27 -13.536 9.485 -15.284 1.00 2.85 H new ATOM 0 HD21 LEU A 27 -11.165 8.006 -14.216 1.00 3.09 H new ATOM 0 HD22 LEU A 27 -11.081 9.644 -14.908 1.00 3.09 H new ATOM 0 HD23 LEU A 27 -10.411 9.325 -13.290 1.00 3.09 H new ATOM 410 N SER A 28 -13.363 12.487 -10.111 1.00 1.09 N ATOM 411 CA SER A 28 -13.114 13.576 -9.160 1.00 1.00 C ATOM 412 C SER A 28 -12.062 13.153 -8.123 1.00 0.86 C ATOM 413 O SER A 28 -12.383 12.473 -7.143 1.00 1.01 O ATOM 414 CB SER A 28 -14.460 13.945 -8.518 1.00 1.47 C ATOM 415 OG SER A 28 -14.388 15.141 -7.769 1.00 1.69 O ATOM 0 H SER A 28 -13.396 11.570 -9.666 1.00 1.09 H new ATOM 0 HA SER A 28 -12.706 14.454 -9.662 1.00 1.00 H new ATOM 0 HB2 SER A 28 -15.214 14.052 -9.297 1.00 1.47 H new ATOM 0 HB3 SER A 28 -14.785 13.132 -7.869 1.00 1.47 H new ATOM 0 HG SER A 28 -15.266 15.337 -7.381 1.00 1.69 H new ATOM 421 N GLU A 29 -10.789 13.515 -8.327 1.00 0.82 N ATOM 422 CA GLU A 29 -9.699 13.158 -7.400 1.00 0.67 C ATOM 423 C GLU A 29 -9.445 14.211 -6.306 1.00 0.73 C ATOM 424 O GLU A 29 -9.595 15.416 -6.536 1.00 0.95 O ATOM 425 CB GLU A 29 -8.362 12.883 -8.110 1.00 0.81 C ATOM 426 CG GLU A 29 -8.397 11.934 -9.316 1.00 1.03 C ATOM 427 CD GLU A 29 -8.513 12.635 -10.671 1.00 1.37 C ATOM 428 OE1 GLU A 29 -7.844 13.667 -10.921 1.00 2.51 O ATOM 429 OE2 GLU A 29 -9.231 12.110 -11.553 1.00 2.24 O ATOM 0 H GLU A 29 -10.483 14.060 -9.133 1.00 0.82 H new ATOM 0 HA GLU A 29 -10.061 12.241 -6.935 1.00 0.67 H new ATOM 0 HB2 GLU A 29 -7.952 13.837 -8.441 1.00 0.81 H new ATOM 0 HB3 GLU A 29 -7.667 12.474 -7.377 1.00 0.81 H new ATOM 0 HG2 GLU A 29 -7.492 11.327 -9.311 1.00 1.03 H new ATOM 0 HG3 GLU A 29 -9.239 11.251 -9.201 1.00 1.03 H new ATOM 436 N GLU A 30 -8.977 13.748 -5.146 1.00 0.62 N ATOM 437 CA GLU A 30 -8.458 14.556 -4.031 1.00 0.62 C ATOM 438 C GLU A 30 -7.030 14.129 -3.653 1.00 0.54 C ATOM 439 O GLU A 30 -6.732 12.935 -3.584 1.00 0.51 O ATOM 440 CB GLU A 30 -9.347 14.430 -2.779 1.00 0.68 C ATOM 441 CG GLU A 30 -10.861 14.544 -3.004 1.00 0.90 C ATOM 442 CD GLU A 30 -11.302 15.856 -3.656 1.00 1.62 C ATOM 443 OE1 GLU A 30 -10.678 16.924 -3.425 1.00 2.43 O ATOM 444 OE2 GLU A 30 -12.331 15.842 -4.376 1.00 2.82 O ATOM 0 H GLU A 30 -8.946 12.749 -4.944 1.00 0.62 H new ATOM 0 HA GLU A 30 -8.457 15.591 -4.374 1.00 0.62 H new ATOM 0 HB2 GLU A 30 -9.143 13.467 -2.310 1.00 0.68 H new ATOM 0 HB3 GLU A 30 -9.048 15.201 -2.068 1.00 0.68 H new ATOM 0 HG2 GLU A 30 -11.187 13.713 -3.629 1.00 0.90 H new ATOM 0 HG3 GLU A 30 -11.368 14.440 -2.045 1.00 0.90 H new ATOM 451 N GLN A 31 -6.157 15.088 -3.335 1.00 0.69 N ATOM 452 CA GLN A 31 -4.836 14.826 -2.746 1.00 0.74 C ATOM 453 C GLN A 31 -4.917 15.019 -1.224 1.00 0.73 C ATOM 454 O GLN A 31 -5.382 16.070 -0.761 1.00 0.92 O ATOM 455 CB GLN A 31 -3.782 15.721 -3.395 1.00 1.02 C ATOM 456 CG GLN A 31 -3.643 15.375 -4.891 1.00 1.26 C ATOM 457 CD GLN A 31 -2.256 15.716 -5.396 1.00 1.55 C ATOM 458 OE1 GLN A 31 -2.041 16.663 -6.143 1.00 1.94 O ATOM 459 NE2 GLN A 31 -1.267 14.964 -4.977 1.00 1.67 N ATOM 0 H GLN A 31 -6.347 16.080 -3.480 1.00 0.69 H new ATOM 0 HA GLN A 31 -4.534 13.796 -2.937 1.00 0.74 H new ATOM 0 HB2 GLN A 31 -4.062 16.768 -3.280 1.00 1.02 H new ATOM 0 HB3 GLN A 31 -2.823 15.591 -2.893 1.00 1.02 H new ATOM 0 HG2 GLN A 31 -3.839 14.314 -5.043 1.00 1.26 H new ATOM 0 HG3 GLN A 31 -4.389 15.923 -5.466 1.00 1.26 H new ATOM 0 HE21 GLN A 31 -1.453 14.177 -4.355 1.00 1.67 H new ATOM 0 HE22 GLN A 31 -0.312 15.166 -5.273 1.00 1.67 H new ATOM 468 N VAL A 32 -4.504 14.010 -0.452 1.00 0.65 N ATOM 469 CA VAL A 32 -4.660 13.956 1.018 1.00 0.71 C ATOM 470 C VAL A 32 -3.396 13.459 1.727 1.00 0.72 C ATOM 471 O VAL A 32 -2.515 12.871 1.095 1.00 0.70 O ATOM 472 CB VAL A 32 -5.873 13.090 1.432 1.00 0.77 C ATOM 473 CG1 VAL A 32 -7.179 13.561 0.775 1.00 0.80 C ATOM 474 CG2 VAL A 32 -5.690 11.600 1.117 1.00 0.77 C ATOM 0 H VAL A 32 -4.040 13.185 -0.833 1.00 0.65 H new ATOM 0 HA VAL A 32 -4.837 14.983 1.337 1.00 0.71 H new ATOM 0 HB VAL A 32 -5.937 13.216 2.513 1.00 0.77 H new ATOM 0 HG11 VAL A 32 -8.000 12.921 1.098 1.00 0.80 H new ATOM 0 HG12 VAL A 32 -7.384 14.590 1.070 1.00 0.80 H new ATOM 0 HG13 VAL A 32 -7.081 13.507 -0.309 1.00 0.80 H new ATOM 0 HG21 VAL A 32 -6.577 11.050 1.432 1.00 0.77 H new ATOM 0 HG22 VAL A 32 -5.545 11.470 0.045 1.00 0.77 H new ATOM 0 HG23 VAL A 32 -4.818 11.220 1.650 1.00 0.77 H new ATOM 484 N ASP A 33 -3.315 13.664 3.042 1.00 0.84 N ATOM 485 CA ASP A 33 -2.282 13.062 3.899 1.00 0.87 C ATOM 486 C ASP A 33 -2.611 11.594 4.246 1.00 0.87 C ATOM 487 O ASP A 33 -3.781 11.218 4.342 1.00 0.96 O ATOM 488 CB ASP A 33 -2.058 13.916 5.152 1.00 1.01 C ATOM 489 CG ASP A 33 -0.776 13.519 5.885 1.00 2.01 C ATOM 490 OD1 ASP A 33 -0.780 12.532 6.649 1.00 3.41 O ATOM 491 OD2 ASP A 33 0.271 14.174 5.687 1.00 2.42 O ATOM 0 H ASP A 33 -3.969 14.258 3.551 1.00 0.84 H new ATOM 0 HA ASP A 33 -1.346 13.043 3.340 1.00 0.87 H new ATOM 0 HB2 ASP A 33 -2.006 14.968 4.871 1.00 1.01 H new ATOM 0 HB3 ASP A 33 -2.910 13.807 5.823 1.00 1.01 H new ATOM 496 N VAL A 34 -1.588 10.764 4.479 1.00 0.88 N ATOM 497 CA VAL A 34 -1.761 9.362 4.915 1.00 0.92 C ATOM 498 C VAL A 34 -2.509 9.226 6.259 1.00 0.99 C ATOM 499 O VAL A 34 -3.187 8.227 6.495 1.00 1.01 O ATOM 500 CB VAL A 34 -0.405 8.627 4.917 1.00 0.97 C ATOM 501 CG1 VAL A 34 0.528 9.101 6.040 1.00 1.09 C ATOM 502 CG2 VAL A 34 -0.582 7.106 4.999 1.00 1.08 C ATOM 0 H VAL A 34 -0.612 11.040 4.372 1.00 0.88 H new ATOM 0 HA VAL A 34 -2.409 8.876 4.185 1.00 0.92 H new ATOM 0 HB VAL A 34 0.064 8.878 3.966 1.00 0.97 H new ATOM 0 HG11 VAL A 34 1.466 8.548 5.991 1.00 1.09 H new ATOM 0 HG12 VAL A 34 0.728 10.166 5.922 1.00 1.09 H new ATOM 0 HG13 VAL A 34 0.054 8.926 7.006 1.00 1.09 H new ATOM 0 HG21 VAL A 34 0.396 6.625 4.998 1.00 1.08 H new ATOM 0 HG22 VAL A 34 -1.111 6.850 5.917 1.00 1.08 H new ATOM 0 HG23 VAL A 34 -1.157 6.760 4.140 1.00 1.08 H new ATOM 512 N GLU A 35 -2.477 10.250 7.116 1.00 1.07 N ATOM 513 CA GLU A 35 -3.291 10.342 8.339 1.00 1.16 C ATOM 514 C GLU A 35 -4.794 10.541 8.055 1.00 1.15 C ATOM 515 O GLU A 35 -5.637 10.121 8.854 1.00 1.30 O ATOM 516 CB GLU A 35 -2.734 11.509 9.175 1.00 1.28 C ATOM 517 CG GLU A 35 -3.465 11.755 10.504 1.00 1.53 C ATOM 518 CD GLU A 35 -2.874 12.917 11.313 1.00 2.22 C ATOM 519 OE1 GLU A 35 -1.687 13.288 11.137 1.00 2.96 O ATOM 520 OE2 GLU A 35 -3.581 13.432 12.212 1.00 3.13 O ATOM 0 H GLU A 35 -1.871 11.059 6.979 1.00 1.07 H new ATOM 0 HA GLU A 35 -3.223 9.398 8.880 1.00 1.16 H new ATOM 0 HB2 GLU A 35 -1.682 11.317 9.385 1.00 1.28 H new ATOM 0 HB3 GLU A 35 -2.779 12.420 8.578 1.00 1.28 H new ATOM 0 HG2 GLU A 35 -4.516 11.960 10.301 1.00 1.53 H new ATOM 0 HG3 GLU A 35 -3.428 10.846 11.105 1.00 1.53 H new ATOM 527 N LEU A 36 -5.136 11.157 6.918 1.00 1.02 N ATOM 528 CA LEU A 36 -6.480 11.646 6.573 1.00 1.02 C ATOM 529 C LEU A 36 -7.267 10.727 5.625 1.00 0.93 C ATOM 530 O LEU A 36 -8.458 10.948 5.403 1.00 0.97 O ATOM 531 CB LEU A 36 -6.355 13.067 5.989 1.00 1.02 C ATOM 532 CG LEU A 36 -5.616 14.074 6.889 1.00 1.16 C ATOM 533 CD1 LEU A 36 -5.523 15.425 6.187 1.00 1.26 C ATOM 534 CD2 LEU A 36 -6.287 14.278 8.240 1.00 1.29 C ATOM 0 H LEU A 36 -4.456 11.337 6.180 1.00 1.02 H new ATOM 0 HA LEU A 36 -7.064 11.656 7.494 1.00 1.02 H new ATOM 0 HB2 LEU A 36 -5.835 13.007 5.033 1.00 1.02 H new ATOM 0 HB3 LEU A 36 -7.355 13.450 5.785 1.00 1.02 H new ATOM 0 HG LEU A 36 -4.627 13.653 7.070 1.00 1.16 H new ATOM 0 HD11 LEU A 36 -4.999 16.133 6.829 1.00 1.26 H new ATOM 0 HD12 LEU A 36 -4.977 15.312 5.250 1.00 1.26 H new ATOM 0 HD13 LEU A 36 -6.526 15.797 5.979 1.00 1.26 H new ATOM 0 HD21 LEU A 36 -5.716 14.999 8.825 1.00 1.29 H new ATOM 0 HD22 LEU A 36 -7.300 14.653 8.090 1.00 1.29 H new ATOM 0 HD23 LEU A 36 -6.327 13.328 8.774 1.00 1.29 H new ATOM 546 N VAL A 37 -6.635 9.684 5.082 1.00 0.87 N ATOM 547 CA VAL A 37 -7.321 8.605 4.350 1.00 0.83 C ATOM 548 C VAL A 37 -7.928 7.596 5.333 1.00 0.95 C ATOM 549 O VAL A 37 -7.344 7.311 6.388 1.00 1.55 O ATOM 550 CB VAL A 37 -6.396 7.969 3.293 1.00 0.81 C ATOM 551 CG1 VAL A 37 -5.102 7.388 3.869 1.00 0.97 C ATOM 552 CG2 VAL A 37 -7.099 6.873 2.496 1.00 0.89 C ATOM 0 H VAL A 37 -5.624 9.559 5.136 1.00 0.87 H new ATOM 0 HA VAL A 37 -8.154 9.026 3.787 1.00 0.83 H new ATOM 0 HB VAL A 37 -6.135 8.800 2.638 1.00 0.81 H new ATOM 0 HG11 VAL A 37 -4.506 6.959 3.064 1.00 0.97 H new ATOM 0 HG12 VAL A 37 -4.535 8.179 4.359 1.00 0.97 H new ATOM 0 HG13 VAL A 37 -5.343 6.611 4.595 1.00 0.97 H new ATOM 0 HG21 VAL A 37 -6.408 6.455 1.764 1.00 0.89 H new ATOM 0 HG22 VAL A 37 -7.430 6.086 3.173 1.00 0.89 H new ATOM 0 HG23 VAL A 37 -7.962 7.295 1.981 1.00 0.89 H new ATOM 562 N GLN A 38 -9.120 7.087 5.010 1.00 0.79 N ATOM 563 CA GLN A 38 -9.972 6.276 5.886 1.00 0.74 C ATOM 564 C GLN A 38 -10.363 4.947 5.234 1.00 0.66 C ATOM 565 O GLN A 38 -10.368 4.809 4.009 1.00 0.68 O ATOM 566 CB GLN A 38 -11.245 7.059 6.244 1.00 0.95 C ATOM 567 CG GLN A 38 -10.971 8.395 6.932 1.00 1.85 C ATOM 568 CD GLN A 38 -12.219 9.233 6.889 1.00 2.30 C ATOM 569 OE1 GLN A 38 -12.433 10.041 5.990 1.00 3.69 O ATOM 570 NE2 GLN A 38 -13.138 8.989 7.776 1.00 1.90 N ATOM 0 H GLN A 38 -9.536 7.235 4.091 1.00 0.79 H new ATOM 0 HA GLN A 38 -9.399 6.054 6.786 1.00 0.74 H new ATOM 0 HB2 GLN A 38 -11.818 7.240 5.334 1.00 0.95 H new ATOM 0 HB3 GLN A 38 -11.867 6.446 6.896 1.00 0.95 H new ATOM 0 HG2 GLN A 38 -10.663 8.231 7.965 1.00 1.85 H new ATOM 0 HG3 GLN A 38 -10.152 8.914 6.434 1.00 1.85 H new ATOM 0 HE21 GLN A 38 -12.960 8.318 8.523 1.00 1.90 H new ATOM 0 HE22 GLN A 38 -14.037 9.469 7.725 1.00 1.90 H new ATOM 579 N ARG A 39 -10.766 3.968 6.051 1.00 0.66 N ATOM 580 CA ARG A 39 -11.061 2.584 5.596 1.00 0.71 C ATOM 581 C ARG A 39 -12.400 2.389 4.843 1.00 0.82 C ATOM 582 O ARG A 39 -12.881 1.266 4.677 1.00 1.69 O ATOM 583 CB ARG A 39 -10.792 1.564 6.715 1.00 0.79 C ATOM 584 CG ARG A 39 -11.926 1.460 7.737 1.00 0.86 C ATOM 585 CD ARG A 39 -11.480 0.727 9.004 1.00 1.08 C ATOM 586 NE ARG A 39 -12.588 0.691 9.967 1.00 1.24 N ATOM 587 CZ ARG A 39 -13.275 -0.346 10.399 1.00 1.88 C ATOM 588 NH1 ARG A 39 -12.953 -1.581 10.143 1.00 2.78 N ATOM 589 NH2 ARG A 39 -14.337 -0.104 11.109 1.00 2.01 N ATOM 0 H ARG A 39 -10.901 4.103 7.053 1.00 0.66 H new ATOM 0 HA ARG A 39 -10.346 2.378 4.799 1.00 0.71 H new ATOM 0 HB2 ARG A 39 -10.626 0.584 6.269 1.00 0.79 H new ATOM 0 HB3 ARG A 39 -9.873 1.839 7.232 1.00 0.79 H new ATOM 0 HG2 ARG A 39 -12.274 2.460 7.998 1.00 0.86 H new ATOM 0 HG3 ARG A 39 -12.771 0.935 7.291 1.00 0.86 H new ATOM 0 HD2 ARG A 39 -11.165 -0.287 8.758 1.00 1.08 H new ATOM 0 HD3 ARG A 39 -10.619 1.230 9.444 1.00 1.08 H new ATOM 0 HE ARG A 39 -12.863 1.593 10.355 1.00 1.24 H new ATOM 0 HH11 ARG A 39 -12.128 -1.787 9.579 1.00 2.78 H new ATOM 0 HH12 ARG A 39 -13.525 -2.343 10.506 1.00 2.78 H new ATOM 0 HH21 ARG A 39 -14.607 0.859 11.310 1.00 2.01 H new ATOM 0 HH22 ARG A 39 -14.900 -0.877 11.465 1.00 2.01 H new ATOM 603 N GLY A 40 -12.996 3.490 4.390 1.00 1.04 N ATOM 604 CA GLY A 40 -14.133 3.553 3.464 1.00 1.03 C ATOM 605 C GLY A 40 -13.812 4.276 2.146 1.00 0.89 C ATOM 606 O GLY A 40 -14.671 4.349 1.263 1.00 0.88 O ATOM 0 H GLY A 40 -12.683 4.418 4.674 1.00 1.04 H new ATOM 0 HA2 GLY A 40 -14.466 2.539 3.241 1.00 1.03 H new ATOM 0 HA3 GLY A 40 -14.963 4.061 3.955 1.00 1.03 H new ATOM 610 N ASP A 41 -12.597 4.809 1.985 1.00 0.96 N ATOM 611 CA ASP A 41 -12.153 5.501 0.770 1.00 0.92 C ATOM 612 C ASP A 41 -11.641 4.509 -0.299 1.00 0.73 C ATOM 613 O ASP A 41 -11.195 3.396 0.016 1.00 0.75 O ATOM 614 CB ASP A 41 -11.080 6.552 1.126 1.00 1.04 C ATOM 615 CG ASP A 41 -11.568 7.662 2.070 1.00 1.53 C ATOM 616 OD1 ASP A 41 -12.710 8.161 1.930 1.00 1.67 O ATOM 617 OD2 ASP A 41 -10.804 8.121 2.947 1.00 2.99 O ATOM 0 H ASP A 41 -11.880 4.771 2.710 1.00 0.96 H new ATOM 0 HA ASP A 41 -13.011 6.014 0.335 1.00 0.92 H new ATOM 0 HB2 ASP A 41 -10.232 6.046 1.588 1.00 1.04 H new ATOM 0 HB3 ASP A 41 -10.716 7.008 0.205 1.00 1.04 H new ATOM 622 N ILE A 42 -11.681 4.919 -1.573 1.00 0.64 N ATOM 623 CA ILE A 42 -11.047 4.211 -2.699 1.00 0.60 C ATOM 624 C ILE A 42 -9.997 5.123 -3.339 1.00 0.49 C ATOM 625 O ILE A 42 -10.254 6.290 -3.648 1.00 0.49 O ATOM 626 CB ILE A 42 -12.074 3.654 -3.711 1.00 0.77 C ATOM 627 CG1 ILE A 42 -13.035 2.685 -2.978 1.00 1.04 C ATOM 628 CG2 ILE A 42 -11.339 2.963 -4.879 1.00 0.87 C ATOM 629 CD1 ILE A 42 -14.002 1.902 -3.873 1.00 1.17 C ATOM 0 H ILE A 42 -12.165 5.770 -1.859 1.00 0.64 H new ATOM 0 HA ILE A 42 -10.541 3.325 -2.317 1.00 0.60 H new ATOM 0 HB ILE A 42 -12.666 4.466 -4.133 1.00 0.77 H new ATOM 0 HG12 ILE A 42 -12.438 1.972 -2.409 1.00 1.04 H new ATOM 0 HG13 ILE A 42 -13.619 3.258 -2.258 1.00 1.04 H new ATOM 0 HG21 ILE A 42 -12.069 2.573 -5.588 1.00 0.87 H new ATOM 0 HG22 ILE A 42 -10.695 3.685 -5.381 1.00 0.87 H new ATOM 0 HG23 ILE A 42 -10.733 2.143 -4.493 1.00 0.87 H new ATOM 0 HD11 ILE A 42 -14.626 1.256 -3.256 1.00 1.17 H new ATOM 0 HD12 ILE A 42 -14.634 2.599 -4.423 1.00 1.17 H new ATOM 0 HD13 ILE A 42 -13.434 1.293 -4.577 1.00 1.17 H new ATOM 641 N ILE A 43 -8.797 4.568 -3.493 1.00 0.47 N ATOM 642 CA ILE A 43 -7.537 5.227 -3.834 1.00 0.44 C ATOM 643 C ILE A 43 -7.123 4.911 -5.282 1.00 0.57 C ATOM 644 O ILE A 43 -7.640 3.979 -5.900 1.00 1.26 O ATOM 645 CB ILE A 43 -6.472 4.761 -2.792 1.00 0.46 C ATOM 646 CG1 ILE A 43 -7.002 4.631 -1.338 1.00 0.66 C ATOM 647 CG2 ILE A 43 -5.201 5.625 -2.747 1.00 0.58 C ATOM 648 CD1 ILE A 43 -7.635 5.903 -0.761 1.00 0.87 C ATOM 0 H ILE A 43 -8.670 3.563 -3.373 1.00 0.47 H new ATOM 0 HA ILE A 43 -7.639 6.311 -3.788 1.00 0.44 H new ATOM 0 HB ILE A 43 -6.221 3.771 -3.172 1.00 0.46 H new ATOM 0 HG12 ILE A 43 -7.741 3.830 -1.307 1.00 0.66 H new ATOM 0 HG13 ILE A 43 -6.177 4.329 -0.693 1.00 0.66 H new ATOM 0 HG21 ILE A 43 -4.518 5.228 -1.996 1.00 0.58 H new ATOM 0 HG22 ILE A 43 -4.716 5.610 -3.723 1.00 0.58 H new ATOM 0 HG23 ILE A 43 -5.467 6.650 -2.490 1.00 0.58 H new ATOM 0 HD11 ILE A 43 -7.974 5.711 0.257 1.00 0.87 H new ATOM 0 HD12 ILE A 43 -6.897 6.705 -0.753 1.00 0.87 H new ATOM 0 HD13 ILE A 43 -8.485 6.198 -1.377 1.00 0.87 H new ATOM 660 N LYS A 44 -6.125 5.631 -5.800 1.00 0.63 N ATOM 661 CA LYS A 44 -5.455 5.340 -7.079 1.00 0.65 C ATOM 662 C LYS A 44 -3.939 5.316 -6.877 1.00 0.69 C ATOM 663 O LYS A 44 -3.405 6.166 -6.162 1.00 0.89 O ATOM 664 CB LYS A 44 -5.910 6.336 -8.141 1.00 0.77 C ATOM 665 CG LYS A 44 -5.372 5.945 -9.522 1.00 1.60 C ATOM 666 CD LYS A 44 -6.033 6.754 -10.637 1.00 1.78 C ATOM 667 CE LYS A 44 -7.487 6.324 -10.878 1.00 1.52 C ATOM 668 NZ LYS A 44 -8.062 6.930 -12.100 1.00 1.71 N ATOM 0 H LYS A 44 -5.747 6.455 -5.333 1.00 0.63 H new ATOM 0 HA LYS A 44 -5.737 4.351 -7.439 1.00 0.65 H new ATOM 0 HB2 LYS A 44 -6.999 6.374 -8.168 1.00 0.77 H new ATOM 0 HB3 LYS A 44 -5.563 7.336 -7.880 1.00 0.77 H new ATOM 0 HG2 LYS A 44 -4.294 6.101 -9.550 1.00 1.60 H new ATOM 0 HG3 LYS A 44 -5.545 4.882 -9.692 1.00 1.60 H new ATOM 0 HD2 LYS A 44 -6.006 7.813 -10.381 1.00 1.78 H new ATOM 0 HD3 LYS A 44 -5.463 6.635 -11.558 1.00 1.78 H new ATOM 0 HE2 LYS A 44 -7.533 5.238 -10.959 1.00 1.52 H new ATOM 0 HE3 LYS A 44 -8.093 6.605 -10.017 1.00 1.52 H new ATOM 0 HZ1 LYS A 44 -9.044 6.609 -12.218 1.00 1.71 H new ATOM 0 HZ2 LYS A 44 -8.045 7.966 -12.015 1.00 1.71 H new ATOM 0 HZ3 LYS A 44 -7.502 6.641 -12.927 1.00 1.71 H new ATOM 682 N VAL A 45 -3.254 4.335 -7.465 1.00 0.61 N ATOM 683 CA VAL A 45 -1.792 4.169 -7.373 1.00 0.66 C ATOM 684 C VAL A 45 -1.142 4.378 -8.748 1.00 0.68 C ATOM 685 O VAL A 45 -1.647 3.859 -9.747 1.00 0.69 O ATOM 686 CB VAL A 45 -1.464 2.807 -6.721 1.00 0.62 C ATOM 687 CG1 VAL A 45 -1.646 1.610 -7.659 1.00 0.59 C ATOM 688 CG2 VAL A 45 -0.038 2.777 -6.160 1.00 0.73 C ATOM 0 H VAL A 45 -3.703 3.616 -8.032 1.00 0.61 H new ATOM 0 HA VAL A 45 -1.362 4.933 -6.725 1.00 0.66 H new ATOM 0 HB VAL A 45 -2.189 2.710 -5.913 1.00 0.62 H new ATOM 0 HG11 VAL A 45 -1.397 0.691 -7.129 1.00 0.59 H new ATOM 0 HG12 VAL A 45 -2.682 1.565 -7.995 1.00 0.59 H new ATOM 0 HG13 VAL A 45 -0.989 1.721 -8.522 1.00 0.59 H new ATOM 0 HG21 VAL A 45 0.155 1.803 -5.710 1.00 0.73 H new ATOM 0 HG22 VAL A 45 0.674 2.952 -6.967 1.00 0.73 H new ATOM 0 HG23 VAL A 45 0.072 3.555 -5.404 1.00 0.73 H new ATOM 698 N VAL A 46 -0.069 5.174 -8.822 1.00 0.73 N ATOM 699 CA VAL A 46 0.523 5.628 -10.102 1.00 0.74 C ATOM 700 C VAL A 46 1.614 4.680 -10.644 1.00 0.57 C ATOM 701 O VAL A 46 2.103 3.816 -9.905 1.00 0.54 O ATOM 702 CB VAL A 46 1.017 7.094 -10.011 1.00 0.93 C ATOM 703 CG1 VAL A 46 -0.087 8.031 -9.506 1.00 1.24 C ATOM 704 CG2 VAL A 46 2.266 7.284 -9.143 1.00 0.94 C ATOM 0 H VAL A 46 0.420 5.526 -7.999 1.00 0.73 H new ATOM 0 HA VAL A 46 -0.282 5.595 -10.837 1.00 0.74 H new ATOM 0 HB VAL A 46 1.291 7.352 -11.034 1.00 0.93 H new ATOM 0 HG11 VAL A 46 0.296 9.050 -9.455 1.00 1.24 H new ATOM 0 HG12 VAL A 46 -0.935 7.996 -10.190 1.00 1.24 H new ATOM 0 HG13 VAL A 46 -0.408 7.714 -8.514 1.00 1.24 H new ATOM 0 HG21 VAL A 46 2.545 8.338 -9.133 1.00 0.94 H new ATOM 0 HG22 VAL A 46 2.056 6.954 -8.126 1.00 0.94 H new ATOM 0 HG23 VAL A 46 3.087 6.695 -9.553 1.00 0.94 H new ATOM 714 N PRO A 47 2.043 4.815 -11.918 1.00 0.70 N ATOM 715 CA PRO A 47 3.217 4.112 -12.437 1.00 0.73 C ATOM 716 C PRO A 47 4.481 4.532 -11.671 1.00 0.65 C ATOM 717 O PRO A 47 4.737 5.727 -11.503 1.00 0.78 O ATOM 718 CB PRO A 47 3.307 4.477 -13.925 1.00 1.00 C ATOM 719 CG PRO A 47 1.879 4.897 -14.272 1.00 1.03 C ATOM 720 CD PRO A 47 1.441 5.596 -12.990 1.00 0.96 C ATOM 0 HA PRO A 47 3.131 3.033 -12.310 1.00 0.73 H new ATOM 0 HB2 PRO A 47 4.017 5.285 -14.098 1.00 1.00 H new ATOM 0 HB3 PRO A 47 3.635 3.630 -14.528 1.00 1.00 H new ATOM 0 HG2 PRO A 47 1.847 5.564 -15.133 1.00 1.03 H new ATOM 0 HG3 PRO A 47 1.247 4.041 -14.508 1.00 1.03 H new ATOM 0 HD2 PRO A 47 1.783 6.631 -12.966 1.00 0.96 H new ATOM 0 HD3 PRO A 47 0.355 5.618 -12.902 1.00 0.96 H new ATOM 728 N GLY A 48 5.258 3.579 -11.157 1.00 0.62 N ATOM 729 CA GLY A 48 6.374 3.851 -10.241 1.00 0.67 C ATOM 730 C GLY A 48 5.959 4.341 -8.842 1.00 0.67 C ATOM 731 O GLY A 48 6.820 4.806 -8.087 1.00 0.88 O ATOM 0 H GLY A 48 5.133 2.588 -11.364 1.00 0.62 H new ATOM 0 HA2 GLY A 48 6.965 2.942 -10.131 1.00 0.67 H new ATOM 0 HA3 GLY A 48 7.023 4.600 -10.695 1.00 0.67 H new ATOM 735 N GLY A 49 4.664 4.319 -8.505 1.00 0.60 N ATOM 736 CA GLY A 49 4.108 4.751 -7.217 1.00 0.63 C ATOM 737 C GLY A 49 4.311 3.761 -6.065 1.00 0.63 C ATOM 738 O GLY A 49 4.708 2.612 -6.263 1.00 0.96 O ATOM 0 H GLY A 49 3.946 3.986 -9.148 1.00 0.60 H new ATOM 0 HA2 GLY A 49 4.561 5.704 -6.943 1.00 0.63 H new ATOM 0 HA3 GLY A 49 3.040 4.930 -7.340 1.00 0.63 H new ATOM 742 N LYS A 50 4.025 4.210 -4.837 1.00 0.56 N ATOM 743 CA LYS A 50 4.231 3.450 -3.590 1.00 0.62 C ATOM 744 C LYS A 50 2.934 3.370 -2.775 1.00 0.78 C ATOM 745 O LYS A 50 2.172 4.337 -2.696 1.00 1.10 O ATOM 746 CB LYS A 50 5.395 4.060 -2.783 1.00 0.76 C ATOM 747 CG LYS A 50 6.703 4.124 -3.596 1.00 0.85 C ATOM 748 CD LYS A 50 7.862 4.756 -2.813 1.00 1.16 C ATOM 749 CE LYS A 50 9.073 4.988 -3.731 1.00 1.48 C ATOM 750 NZ LYS A 50 10.082 5.870 -3.100 1.00 1.96 N ATOM 0 H LYS A 50 3.633 5.137 -4.675 1.00 0.56 H new ATOM 0 HA LYS A 50 4.506 2.425 -3.840 1.00 0.62 H new ATOM 0 HB2 LYS A 50 5.122 5.064 -2.459 1.00 0.76 H new ATOM 0 HB3 LYS A 50 5.559 3.468 -1.882 1.00 0.76 H new ATOM 0 HG2 LYS A 50 6.985 3.116 -3.902 1.00 0.85 H new ATOM 0 HG3 LYS A 50 6.531 4.697 -4.507 1.00 0.85 H new ATOM 0 HD2 LYS A 50 7.541 5.703 -2.379 1.00 1.16 H new ATOM 0 HD3 LYS A 50 8.146 4.106 -1.985 1.00 1.16 H new ATOM 0 HE2 LYS A 50 9.531 4.030 -3.977 1.00 1.48 H new ATOM 0 HE3 LYS A 50 8.738 5.432 -4.669 1.00 1.48 H new ATOM 0 HZ1 LYS A 50 10.883 6.002 -3.750 1.00 1.96 H new ATOM 0 HZ2 LYS A 50 9.652 6.793 -2.888 1.00 1.96 H new ATOM 0 HZ3 LYS A 50 10.420 5.435 -2.218 1.00 1.96 H new ATOM 764 N PHE A 51 2.669 2.211 -2.171 1.00 0.70 N ATOM 765 CA PHE A 51 1.396 1.947 -1.480 1.00 0.71 C ATOM 766 C PHE A 51 1.338 2.587 -0.069 1.00 0.70 C ATOM 767 O PHE A 51 2.230 2.323 0.742 1.00 0.76 O ATOM 768 CB PHE A 51 1.121 0.437 -1.432 1.00 0.73 C ATOM 769 CG PHE A 51 0.761 -0.166 -2.780 1.00 0.68 C ATOM 770 CD1 PHE A 51 -0.561 -0.096 -3.260 1.00 1.67 C ATOM 771 CD2 PHE A 51 1.745 -0.786 -3.569 1.00 1.62 C ATOM 772 CE1 PHE A 51 -0.884 -0.637 -4.518 1.00 1.74 C ATOM 773 CE2 PHE A 51 1.423 -1.335 -4.820 1.00 1.55 C ATOM 774 CZ PHE A 51 0.107 -1.255 -5.302 1.00 0.69 C ATOM 0 H PHE A 51 3.324 1.429 -2.144 1.00 0.70 H new ATOM 0 HA PHE A 51 0.604 2.425 -2.057 1.00 0.71 H new ATOM 0 HB2 PHE A 51 2.003 -0.071 -1.042 1.00 0.73 H new ATOM 0 HB3 PHE A 51 0.308 0.248 -0.731 1.00 0.73 H new ATOM 0 HD1 PHE A 51 -1.328 0.374 -2.662 1.00 1.67 H new ATOM 0 HD2 PHE A 51 2.762 -0.841 -3.208 1.00 1.62 H new ATOM 0 HE1 PHE A 51 -1.898 -0.577 -4.884 1.00 1.74 H new ATOM 0 HE2 PHE A 51 2.187 -1.818 -5.411 1.00 1.55 H new ATOM 0 HZ PHE A 51 -0.143 -1.666 -6.269 1.00 0.69 H new ATOM 784 N PRO A 52 0.298 3.382 0.274 1.00 0.64 N ATOM 785 CA PRO A 52 0.223 4.113 1.550 1.00 0.63 C ATOM 786 C PRO A 52 -0.387 3.314 2.721 1.00 0.61 C ATOM 787 O PRO A 52 -0.103 3.617 3.880 1.00 0.63 O ATOM 788 CB PRO A 52 -0.628 5.350 1.229 1.00 0.64 C ATOM 789 CG PRO A 52 -1.585 4.863 0.143 1.00 0.63 C ATOM 790 CD PRO A 52 -0.747 3.848 -0.631 1.00 0.63 C ATOM 0 HA PRO A 52 1.227 4.346 1.904 1.00 0.63 H new ATOM 0 HB2 PRO A 52 -1.167 5.704 2.108 1.00 0.64 H new ATOM 0 HB3 PRO A 52 -0.013 6.178 0.878 1.00 0.64 H new ATOM 0 HG2 PRO A 52 -2.478 4.406 0.569 1.00 0.63 H new ATOM 0 HG3 PRO A 52 -1.919 5.681 -0.496 1.00 0.63 H new ATOM 0 HD2 PRO A 52 -1.364 3.016 -0.969 1.00 0.63 H new ATOM 0 HD3 PRO A 52 -0.312 4.304 -1.520 1.00 0.63 H new ATOM 798 N VAL A 53 -1.218 2.309 2.429 1.00 0.59 N ATOM 799 CA VAL A 53 -1.953 1.434 3.371 1.00 0.59 C ATOM 800 C VAL A 53 -2.145 0.049 2.723 1.00 0.59 C ATOM 801 O VAL A 53 -1.817 -0.113 1.546 1.00 0.64 O ATOM 802 CB VAL A 53 -3.307 2.033 3.814 1.00 0.66 C ATOM 803 CG1 VAL A 53 -3.126 3.266 4.707 1.00 0.72 C ATOM 804 CG2 VAL A 53 -4.203 2.422 2.639 1.00 0.72 C ATOM 0 H VAL A 53 -1.415 2.061 1.459 1.00 0.59 H new ATOM 0 HA VAL A 53 -1.358 1.340 4.279 1.00 0.59 H new ATOM 0 HB VAL A 53 -3.792 1.235 4.376 1.00 0.66 H new ATOM 0 HG11 VAL A 53 -4.103 3.654 4.994 1.00 0.72 H new ATOM 0 HG12 VAL A 53 -2.568 2.989 5.602 1.00 0.72 H new ATOM 0 HG13 VAL A 53 -2.577 4.033 4.161 1.00 0.72 H new ATOM 0 HG21 VAL A 53 -5.138 2.836 3.016 1.00 0.72 H new ATOM 0 HG22 VAL A 53 -3.697 3.168 2.027 1.00 0.72 H new ATOM 0 HG23 VAL A 53 -4.414 1.540 2.035 1.00 0.72 H new ATOM 814 N ASP A 54 -2.633 -0.960 3.458 1.00 0.60 N ATOM 815 CA ASP A 54 -2.873 -2.313 2.915 1.00 0.62 C ATOM 816 C ASP A 54 -4.363 -2.600 2.642 1.00 0.67 C ATOM 817 O ASP A 54 -5.236 -2.193 3.413 1.00 0.86 O ATOM 818 CB ASP A 54 -2.163 -3.391 3.752 1.00 0.72 C ATOM 819 CG ASP A 54 -2.919 -3.898 4.977 1.00 0.82 C ATOM 820 OD1 ASP A 54 -2.717 -3.378 6.097 1.00 1.79 O ATOM 821 OD2 ASP A 54 -3.618 -4.933 4.854 1.00 1.51 O ATOM 0 H ASP A 54 -2.874 -0.866 4.445 1.00 0.60 H new ATOM 0 HA ASP A 54 -2.413 -2.352 1.928 1.00 0.62 H new ATOM 0 HB2 ASP A 54 -1.949 -4.242 3.105 1.00 0.72 H new ATOM 0 HB3 ASP A 54 -1.204 -2.992 4.082 1.00 0.72 H new ATOM 826 N GLY A 55 -4.653 -3.274 1.523 1.00 0.60 N ATOM 827 CA GLY A 55 -6.028 -3.447 1.026 1.00 0.65 C ATOM 828 C GLY A 55 -6.142 -4.242 -0.283 1.00 0.56 C ATOM 829 O GLY A 55 -5.271 -5.056 -0.598 1.00 0.59 O ATOM 0 H GLY A 55 -3.945 -3.715 0.936 1.00 0.60 H new ATOM 0 HA2 GLY A 55 -6.616 -3.950 1.793 1.00 0.65 H new ATOM 0 HA3 GLY A 55 -6.473 -2.463 0.877 1.00 0.65 H new ATOM 833 N ARG A 56 -7.224 -4.007 -1.046 1.00 0.57 N ATOM 834 CA ARG A 56 -7.575 -4.780 -2.263 1.00 0.56 C ATOM 835 C ARG A 56 -7.665 -3.933 -3.540 1.00 0.54 C ATOM 836 O ARG A 56 -8.166 -2.816 -3.519 1.00 0.58 O ATOM 837 CB ARG A 56 -8.841 -5.630 -2.011 1.00 0.63 C ATOM 838 CG ARG A 56 -8.843 -6.926 -2.847 1.00 0.77 C ATOM 839 CD ARG A 56 -10.026 -7.866 -2.583 1.00 0.83 C ATOM 840 NE ARG A 56 -10.181 -8.190 -1.154 1.00 2.24 N ATOM 841 CZ ARG A 56 -9.740 -9.236 -0.481 1.00 3.78 C ATOM 842 NH1 ARG A 56 -9.178 -10.273 -1.028 1.00 4.46 N ATOM 843 NH2 ARG A 56 -9.857 -9.231 0.809 1.00 5.20 N ATOM 0 H ARG A 56 -7.892 -3.265 -0.836 1.00 0.57 H new ATOM 0 HA ARG A 56 -6.744 -5.458 -2.459 1.00 0.56 H new ATOM 0 HB2 ARG A 56 -8.904 -5.882 -0.952 1.00 0.63 H new ATOM 0 HB3 ARG A 56 -9.726 -5.042 -2.252 1.00 0.63 H new ATOM 0 HG2 ARG A 56 -8.839 -6.659 -3.904 1.00 0.77 H new ATOM 0 HG3 ARG A 56 -7.917 -7.468 -2.652 1.00 0.77 H new ATOM 0 HD2 ARG A 56 -10.942 -7.403 -2.949 1.00 0.83 H new ATOM 0 HD3 ARG A 56 -9.887 -8.788 -3.148 1.00 0.83 H new ATOM 0 HE ARG A 56 -10.705 -7.507 -0.606 1.00 2.24 H new ATOM 0 HH11 ARG A 56 -9.055 -10.312 -2.040 1.00 4.46 H new ATOM 0 HH12 ARG A 56 -8.860 -11.047 -0.445 1.00 4.46 H new ATOM 0 HH21 ARG A 56 -10.281 -8.432 1.279 1.00 5.20 H new ATOM 0 HH22 ARG A 56 -9.525 -10.026 1.354 1.00 5.20 H new ATOM 857 N VAL A 57 -7.196 -4.489 -4.655 1.00 0.53 N ATOM 858 CA VAL A 57 -7.246 -3.971 -6.032 1.00 0.50 C ATOM 859 C VAL A 57 -8.531 -4.454 -6.698 1.00 0.56 C ATOM 860 O VAL A 57 -8.797 -5.657 -6.670 1.00 0.65 O ATOM 861 CB VAL A 57 -6.063 -4.526 -6.864 1.00 0.52 C ATOM 862 CG1 VAL A 57 -6.061 -3.967 -8.293 1.00 0.62 C ATOM 863 CG2 VAL A 57 -4.689 -4.244 -6.251 1.00 0.61 C ATOM 0 H VAL A 57 -6.728 -5.395 -4.621 1.00 0.53 H new ATOM 0 HA VAL A 57 -7.199 -2.883 -5.992 1.00 0.50 H new ATOM 0 HB VAL A 57 -6.224 -5.604 -6.871 1.00 0.52 H new ATOM 0 HG11 VAL A 57 -5.216 -4.380 -8.844 1.00 0.62 H new ATOM 0 HG12 VAL A 57 -6.990 -4.242 -8.793 1.00 0.62 H new ATOM 0 HG13 VAL A 57 -5.976 -2.881 -8.259 1.00 0.62 H new ATOM 0 HG21 VAL A 57 -3.912 -4.663 -6.891 1.00 0.61 H new ATOM 0 HG22 VAL A 57 -4.544 -3.167 -6.162 1.00 0.61 H new ATOM 0 HG23 VAL A 57 -4.631 -4.700 -5.263 1.00 0.61 H new ATOM 873 N ILE A 58 -9.282 -3.572 -7.365 1.00 0.53 N ATOM 874 CA ILE A 58 -10.442 -3.971 -8.197 1.00 0.53 C ATOM 875 C ILE A 58 -10.541 -3.193 -9.527 1.00 0.54 C ATOM 876 O ILE A 58 -11.628 -2.967 -10.064 1.00 0.59 O ATOM 877 CB ILE A 58 -11.761 -3.945 -7.385 1.00 0.59 C ATOM 878 CG1 ILE A 58 -11.888 -2.627 -6.604 1.00 0.67 C ATOM 879 CG2 ILE A 58 -11.859 -5.146 -6.426 1.00 0.63 C ATOM 880 CD1 ILE A 58 -13.319 -2.363 -6.118 1.00 0.84 C ATOM 0 H ILE A 58 -9.112 -2.566 -7.350 1.00 0.53 H new ATOM 0 HA ILE A 58 -10.268 -5.006 -8.491 1.00 0.53 H new ATOM 0 HB ILE A 58 -12.586 -4.016 -8.094 1.00 0.59 H new ATOM 0 HG12 ILE A 58 -11.216 -2.651 -5.746 1.00 0.67 H new ATOM 0 HG13 ILE A 58 -11.566 -1.801 -7.238 1.00 0.67 H new ATOM 0 HG21 ILE A 58 -12.797 -5.095 -5.873 1.00 0.63 H new ATOM 0 HG22 ILE A 58 -11.826 -6.073 -6.999 1.00 0.63 H new ATOM 0 HG23 ILE A 58 -11.024 -5.122 -5.726 1.00 0.63 H new ATOM 0 HD11 ILE A 58 -13.350 -1.420 -5.573 1.00 0.84 H new ATOM 0 HD12 ILE A 58 -13.990 -2.309 -6.975 1.00 0.84 H new ATOM 0 HD13 ILE A 58 -13.635 -3.173 -5.460 1.00 0.84 H new ATOM 892 N GLU A 59 -9.395 -2.862 -10.127 1.00 0.53 N ATOM 893 CA GLU A 59 -9.285 -2.374 -11.512 1.00 0.60 C ATOM 894 C GLU A 59 -7.829 -2.422 -12.003 1.00 0.61 C ATOM 895 O GLU A 59 -6.931 -2.003 -11.269 1.00 0.62 O ATOM 896 CB GLU A 59 -9.791 -0.923 -11.625 1.00 0.64 C ATOM 897 CG GLU A 59 -10.322 -0.609 -13.030 1.00 0.94 C ATOM 898 CD GLU A 59 -11.056 0.736 -13.071 1.00 1.83 C ATOM 899 OE1 GLU A 59 -12.086 0.875 -12.363 1.00 3.09 O ATOM 900 OE2 GLU A 59 -10.644 1.650 -13.833 1.00 2.97 O ATOM 0 H GLU A 59 -8.493 -2.926 -9.655 1.00 0.53 H new ATOM 0 HA GLU A 59 -9.899 -3.028 -12.131 1.00 0.60 H new ATOM 0 HB2 GLU A 59 -10.581 -0.756 -10.893 1.00 0.64 H new ATOM 0 HB3 GLU A 59 -8.981 -0.236 -11.381 1.00 0.64 H new ATOM 0 HG2 GLU A 59 -9.493 -0.593 -13.737 1.00 0.94 H new ATOM 0 HG3 GLU A 59 -10.998 -1.402 -13.349 1.00 0.94 H new ATOM 907 N GLY A 60 -7.607 -2.866 -13.244 1.00 0.65 N ATOM 908 CA GLY A 60 -6.328 -2.745 -13.947 1.00 0.67 C ATOM 909 C GLY A 60 -5.360 -3.933 -13.865 1.00 0.70 C ATOM 910 O GLY A 60 -5.729 -5.067 -13.550 1.00 0.95 O ATOM 0 H GLY A 60 -8.327 -3.329 -13.799 1.00 0.65 H new ATOM 0 HA2 GLY A 60 -6.539 -2.555 -14.999 1.00 0.67 H new ATOM 0 HA3 GLY A 60 -5.814 -1.865 -13.561 1.00 0.67 H new ATOM 914 N HIS A 61 -4.111 -3.655 -14.239 1.00 0.59 N ATOM 915 CA HIS A 61 -3.033 -4.641 -14.401 1.00 0.66 C ATOM 916 C HIS A 61 -1.646 -4.025 -14.145 1.00 0.63 C ATOM 917 O HIS A 61 -1.152 -3.212 -14.929 1.00 0.98 O ATOM 918 CB HIS A 61 -3.122 -5.303 -15.793 1.00 0.90 C ATOM 919 CG HIS A 61 -3.245 -4.365 -16.974 1.00 1.15 C ATOM 920 ND1 HIS A 61 -4.413 -3.986 -17.601 1.00 1.92 N ATOM 921 CD2 HIS A 61 -2.214 -3.788 -17.667 1.00 1.82 C ATOM 922 CE1 HIS A 61 -4.093 -3.194 -18.638 1.00 2.06 C ATOM 923 NE2 HIS A 61 -2.759 -3.025 -18.708 1.00 1.98 N ATOM 0 H HIS A 61 -3.807 -2.704 -14.446 1.00 0.59 H new ATOM 0 HA HIS A 61 -3.166 -5.416 -13.646 1.00 0.66 H new ATOM 0 HB2 HIS A 61 -2.234 -5.919 -15.936 1.00 0.90 H new ATOM 0 HB3 HIS A 61 -3.981 -5.975 -15.798 1.00 0.90 H new ATOM 0 HD2 HIS A 61 -1.162 -3.902 -17.449 1.00 1.82 H new ATOM 0 HE1 HIS A 61 -4.806 -2.754 -19.320 1.00 2.06 H new ATOM 0 HE2 HIS A 61 -2.248 -2.456 -19.383 1.00 1.98 H new ATOM 931 N SER A 62 -1.012 -4.392 -13.027 1.00 0.51 N ATOM 932 CA SER A 62 0.378 -4.023 -12.730 1.00 0.50 C ATOM 933 C SER A 62 1.120 -5.134 -11.996 1.00 0.56 C ATOM 934 O SER A 62 0.526 -6.103 -11.514 1.00 0.67 O ATOM 935 CB SER A 62 0.465 -2.705 -11.947 1.00 0.55 C ATOM 936 OG SER A 62 1.634 -2.001 -12.322 1.00 1.24 O ATOM 0 H SER A 62 -1.450 -4.956 -12.298 1.00 0.51 H new ATOM 0 HA SER A 62 0.869 -3.875 -13.692 1.00 0.50 H new ATOM 0 HB2 SER A 62 -0.417 -2.095 -12.144 1.00 0.55 H new ATOM 0 HB3 SER A 62 0.479 -2.908 -10.876 1.00 0.55 H new ATOM 0 HG SER A 62 1.684 -1.160 -11.821 1.00 1.24 H new ATOM 942 N MET A 63 2.430 -4.955 -11.875 1.00 0.59 N ATOM 943 CA MET A 63 3.329 -5.841 -11.147 1.00 0.65 C ATOM 944 C MET A 63 3.976 -5.089 -9.975 1.00 0.61 C ATOM 945 O MET A 63 4.230 -3.886 -10.070 1.00 0.75 O ATOM 946 CB MET A 63 4.316 -6.451 -12.150 1.00 0.74 C ATOM 947 CG MET A 63 5.020 -7.676 -11.573 1.00 1.03 C ATOM 948 SD MET A 63 5.744 -8.763 -12.824 1.00 1.15 S ATOM 949 CE MET A 63 4.291 -9.759 -13.242 1.00 1.19 C ATOM 0 H MET A 63 2.912 -4.161 -12.296 1.00 0.59 H new ATOM 0 HA MET A 63 2.797 -6.672 -10.684 1.00 0.65 H new ATOM 0 HB2 MET A 63 3.785 -6.731 -13.060 1.00 0.74 H new ATOM 0 HB3 MET A 63 5.058 -5.704 -12.432 1.00 0.74 H new ATOM 0 HG2 MET A 63 5.806 -7.345 -10.895 1.00 1.03 H new ATOM 0 HG3 MET A 63 4.306 -8.247 -10.979 1.00 1.03 H new ATOM 0 HE1 MET A 63 4.487 -10.323 -14.154 1.00 1.19 H new ATOM 0 HE2 MET A 63 4.077 -10.450 -12.427 1.00 1.19 H new ATOM 0 HE3 MET A 63 3.434 -9.104 -13.398 1.00 1.19 H new ATOM 959 N VAL A 64 4.189 -5.783 -8.855 1.00 0.51 N ATOM 960 CA VAL A 64 4.595 -5.197 -7.566 1.00 0.49 C ATOM 961 C VAL A 64 5.795 -5.937 -6.974 1.00 0.54 C ATOM 962 O VAL A 64 5.864 -7.165 -7.031 1.00 0.63 O ATOM 963 CB VAL A 64 3.402 -5.179 -6.581 1.00 0.52 C ATOM 964 CG1 VAL A 64 3.765 -4.635 -5.193 1.00 0.56 C ATOM 965 CG2 VAL A 64 2.253 -4.312 -7.117 1.00 0.56 C ATOM 0 H VAL A 64 4.082 -6.797 -8.814 1.00 0.51 H new ATOM 0 HA VAL A 64 4.905 -4.167 -7.742 1.00 0.49 H new ATOM 0 HB VAL A 64 3.103 -6.223 -6.488 1.00 0.52 H new ATOM 0 HG11 VAL A 64 2.882 -4.651 -4.554 1.00 0.56 H new ATOM 0 HG12 VAL A 64 4.544 -5.256 -4.751 1.00 0.56 H new ATOM 0 HG13 VAL A 64 4.127 -3.611 -5.287 1.00 0.56 H new ATOM 0 HG21 VAL A 64 1.429 -4.318 -6.404 1.00 0.56 H new ATOM 0 HG22 VAL A 64 2.604 -3.289 -7.257 1.00 0.56 H new ATOM 0 HG23 VAL A 64 1.910 -4.712 -8.071 1.00 0.56 H new ATOM 975 N ASP A 65 6.735 -5.193 -6.393 1.00 0.56 N ATOM 976 CA ASP A 65 7.894 -5.759 -5.690 1.00 0.68 C ATOM 977 C ASP A 65 7.688 -5.811 -4.164 1.00 0.70 C ATOM 978 O ASP A 65 7.351 -4.805 -3.540 1.00 0.77 O ATOM 979 CB ASP A 65 9.176 -5.018 -6.085 1.00 0.90 C ATOM 980 CG ASP A 65 10.434 -5.687 -5.520 1.00 1.17 C ATOM 981 OD1 ASP A 65 10.474 -6.937 -5.415 1.00 2.32 O ATOM 982 OD2 ASP A 65 11.401 -4.946 -5.217 1.00 1.47 O ATOM 0 H ASP A 65 6.717 -4.173 -6.395 1.00 0.56 H new ATOM 0 HA ASP A 65 8.001 -6.797 -6.006 1.00 0.68 H new ATOM 0 HB2 ASP A 65 9.247 -4.975 -7.172 1.00 0.90 H new ATOM 0 HB3 ASP A 65 9.123 -3.990 -5.728 1.00 0.90 H new ATOM 987 N GLU A 66 7.896 -6.994 -3.578 1.00 0.82 N ATOM 988 CA GLU A 66 7.626 -7.308 -2.164 1.00 0.89 C ATOM 989 C GLU A 66 8.844 -7.940 -1.444 1.00 0.92 C ATOM 990 O GLU A 66 8.693 -8.628 -0.431 1.00 1.08 O ATOM 991 CB GLU A 66 6.384 -8.225 -2.052 1.00 1.05 C ATOM 992 CG GLU A 66 5.115 -7.755 -2.793 1.00 0.78 C ATOM 993 CD GLU A 66 3.876 -8.629 -2.510 1.00 0.81 C ATOM 994 OE1 GLU A 66 3.978 -9.654 -1.785 1.00 1.91 O ATOM 995 OE2 GLU A 66 2.772 -8.275 -2.994 1.00 2.06 O ATOM 0 H GLU A 66 8.271 -7.792 -4.091 1.00 0.82 H new ATOM 0 HA GLU A 66 7.426 -6.364 -1.657 1.00 0.89 H new ATOM 0 HB2 GLU A 66 6.653 -9.212 -2.428 1.00 1.05 H new ATOM 0 HB3 GLU A 66 6.140 -8.342 -0.996 1.00 1.05 H new ATOM 0 HG2 GLU A 66 4.897 -6.726 -2.506 1.00 0.78 H new ATOM 0 HG3 GLU A 66 5.310 -7.752 -3.865 1.00 0.78 H new ATOM 1002 N SER A 67 10.062 -7.756 -1.969 1.00 0.90 N ATOM 1003 CA SER A 67 11.270 -8.473 -1.523 1.00 0.99 C ATOM 1004 C SER A 67 11.720 -8.195 -0.085 1.00 0.99 C ATOM 1005 O SER A 67 12.395 -9.039 0.508 1.00 1.11 O ATOM 1006 CB SER A 67 12.425 -8.208 -2.481 1.00 1.16 C ATOM 1007 OG SER A 67 12.929 -6.899 -2.349 1.00 1.43 O ATOM 0 H SER A 67 10.242 -7.096 -2.726 1.00 0.90 H new ATOM 0 HA SER A 67 10.980 -9.524 -1.532 1.00 0.99 H new ATOM 0 HB2 SER A 67 13.224 -8.925 -2.293 1.00 1.16 H new ATOM 0 HB3 SER A 67 12.090 -8.366 -3.506 1.00 1.16 H new ATOM 0 HG SER A 67 13.669 -6.768 -2.978 1.00 1.43 H new ATOM 1013 N LEU A 68 11.330 -7.064 0.508 1.00 0.96 N ATOM 1014 CA LEU A 68 11.491 -6.798 1.941 1.00 0.95 C ATOM 1015 C LEU A 68 10.252 -7.293 2.697 1.00 0.96 C ATOM 1016 O LEU A 68 10.395 -7.945 3.731 1.00 1.06 O ATOM 1017 CB LEU A 68 11.792 -5.289 2.117 1.00 0.99 C ATOM 1018 CG LEU A 68 11.925 -4.652 3.518 1.00 0.91 C ATOM 1019 CD1 LEU A 68 10.599 -4.527 4.268 1.00 1.02 C ATOM 1020 CD2 LEU A 68 12.945 -5.327 4.431 1.00 1.01 C ATOM 0 H LEU A 68 10.888 -6.297 0.001 1.00 0.96 H new ATOM 0 HA LEU A 68 12.331 -7.344 2.371 1.00 0.95 H new ATOM 0 HB2 LEU A 68 12.723 -5.088 1.587 1.00 0.99 H new ATOM 0 HB3 LEU A 68 11.004 -4.746 1.595 1.00 0.99 H new ATOM 0 HG LEU A 68 12.294 -3.654 3.283 1.00 0.91 H new ATOM 0 HD11 LEU A 68 10.774 -4.071 5.243 1.00 1.02 H new ATOM 0 HD12 LEU A 68 9.913 -3.904 3.694 1.00 1.02 H new ATOM 0 HD13 LEU A 68 10.163 -5.517 4.403 1.00 1.02 H new ATOM 0 HD21 LEU A 68 12.970 -4.813 5.392 1.00 1.01 H new ATOM 0 HD22 LEU A 68 12.663 -6.369 4.584 1.00 1.01 H new ATOM 0 HD23 LEU A 68 13.932 -5.282 3.970 1.00 1.01 H new ATOM 1032 N ILE A 69 9.046 -7.049 2.168 1.00 0.94 N ATOM 1033 CA ILE A 69 7.764 -7.303 2.846 1.00 0.96 C ATOM 1034 C ILE A 69 7.490 -8.805 3.045 1.00 0.97 C ATOM 1035 O ILE A 69 7.339 -9.253 4.184 1.00 1.00 O ATOM 1036 CB ILE A 69 6.590 -6.625 2.094 1.00 1.04 C ATOM 1037 CG1 ILE A 69 6.842 -5.152 1.686 1.00 1.09 C ATOM 1038 CG2 ILE A 69 5.316 -6.743 2.950 1.00 1.09 C ATOM 1039 CD1 ILE A 69 6.845 -4.144 2.838 1.00 1.00 C ATOM 0 H ILE A 69 8.930 -6.659 1.233 1.00 0.94 H new ATOM 0 HA ILE A 69 7.842 -6.859 3.838 1.00 0.96 H new ATOM 0 HB ILE A 69 6.478 -7.156 1.149 1.00 1.04 H new ATOM 0 HG12 ILE A 69 7.802 -5.094 1.172 1.00 1.09 H new ATOM 0 HG13 ILE A 69 6.077 -4.856 0.968 1.00 1.09 H new ATOM 0 HG21 ILE A 69 4.483 -6.269 2.430 1.00 1.09 H new ATOM 0 HG22 ILE A 69 5.087 -7.795 3.118 1.00 1.09 H new ATOM 0 HG23 ILE A 69 5.474 -6.248 3.908 1.00 1.09 H new ATOM 0 HD11 ILE A 69 7.030 -3.144 2.446 1.00 1.00 H new ATOM 0 HD12 ILE A 69 5.878 -4.164 3.341 1.00 1.00 H new ATOM 0 HD13 ILE A 69 7.629 -4.406 3.548 1.00 1.00 H new ATOM 1051 N THR A 70 7.425 -9.582 1.959 1.00 1.01 N ATOM 1052 CA THR A 70 7.169 -11.039 1.958 1.00 1.07 C ATOM 1053 C THR A 70 8.411 -11.873 1.637 1.00 1.12 C ATOM 1054 O THR A 70 8.402 -13.093 1.812 1.00 1.23 O ATOM 1055 CB THR A 70 6.039 -11.406 0.979 1.00 1.04 C ATOM 1056 OG1 THR A 70 6.330 -10.941 -0.319 1.00 1.20 O ATOM 1057 CG2 THR A 70 4.709 -10.784 1.381 1.00 1.15 C ATOM 0 H THR A 70 7.553 -9.207 1.019 1.00 1.01 H new ATOM 0 HA THR A 70 6.867 -11.282 2.977 1.00 1.07 H new ATOM 0 HB THR A 70 5.965 -12.493 1.003 1.00 1.04 H new ATOM 0 HG1 THR A 70 5.528 -10.533 -0.708 1.00 1.20 H new ATOM 0 HG21 THR A 70 3.941 -11.070 0.662 1.00 1.15 H new ATOM 0 HG22 THR A 70 4.427 -11.138 2.373 1.00 1.15 H new ATOM 0 HG23 THR A 70 4.805 -9.698 1.397 1.00 1.15 H new ATOM 1065 N GLY A 71 9.498 -11.233 1.190 1.00 1.10 N ATOM 1066 CA GLY A 71 10.777 -11.893 0.910 1.00 1.18 C ATOM 1067 C GLY A 71 10.869 -12.546 -0.479 1.00 1.15 C ATOM 1068 O GLY A 71 11.780 -13.345 -0.708 1.00 1.31 O ATOM 0 H GLY A 71 9.513 -10.229 1.011 1.00 1.10 H new ATOM 0 HA2 GLY A 71 11.578 -11.160 1.006 1.00 1.18 H new ATOM 0 HA3 GLY A 71 10.951 -12.656 1.668 1.00 1.18 H new ATOM 1072 N GLU A 72 9.928 -12.240 -1.384 1.00 1.03 N ATOM 1073 CA GLU A 72 9.811 -12.861 -2.718 1.00 1.02 C ATOM 1074 C GLU A 72 11.073 -12.691 -3.585 1.00 1.25 C ATOM 1075 O GLU A 72 11.536 -13.674 -4.161 1.00 2.65 O ATOM 1076 CB GLU A 72 8.575 -12.317 -3.461 1.00 1.00 C ATOM 1077 CG GLU A 72 7.271 -13.048 -3.108 1.00 1.08 C ATOM 1078 CD GLU A 72 7.214 -14.469 -3.691 1.00 1.50 C ATOM 1079 OE1 GLU A 72 7.249 -14.647 -4.932 1.00 2.83 O ATOM 1080 OE2 GLU A 72 7.114 -15.441 -2.904 1.00 1.58 O ATOM 0 H GLU A 72 9.209 -11.538 -1.208 1.00 1.03 H new ATOM 0 HA GLU A 72 9.694 -13.931 -2.547 1.00 1.02 H new ATOM 0 HB2 GLU A 72 8.461 -11.258 -3.231 1.00 1.00 H new ATOM 0 HB3 GLU A 72 8.745 -12.394 -4.535 1.00 1.00 H new ATOM 0 HG2 GLU A 72 7.170 -13.100 -2.024 1.00 1.08 H new ATOM 0 HG3 GLU A 72 6.424 -12.472 -3.480 1.00 1.08 H new ATOM 1087 N ALA A 73 11.639 -11.482 -3.679 1.00 1.05 N ATOM 1088 CA ALA A 73 12.864 -11.185 -4.448 1.00 1.04 C ATOM 1089 C ALA A 73 12.748 -11.451 -5.968 1.00 0.89 C ATOM 1090 O ALA A 73 13.750 -11.565 -6.684 1.00 1.17 O ATOM 1091 CB ALA A 73 14.098 -11.793 -3.768 1.00 1.34 C ATOM 0 H ALA A 73 11.253 -10.661 -3.213 1.00 1.05 H new ATOM 0 HA ALA A 73 13.005 -10.104 -4.422 1.00 1.04 H new ATOM 0 HB1 ALA A 73 14.988 -11.561 -4.353 1.00 1.34 H new ATOM 0 HB2 ALA A 73 14.204 -11.376 -2.766 1.00 1.34 H new ATOM 0 HB3 ALA A 73 13.980 -12.875 -3.701 1.00 1.34 H new ATOM 1097 N MET A 74 11.505 -11.507 -6.448 1.00 0.85 N ATOM 1098 CA MET A 74 11.071 -11.509 -7.834 1.00 0.84 C ATOM 1099 C MET A 74 9.668 -10.852 -7.863 1.00 0.75 C ATOM 1100 O MET A 74 8.859 -11.145 -6.972 1.00 0.83 O ATOM 1101 CB MET A 74 11.034 -12.946 -8.365 1.00 1.02 C ATOM 1102 CG MET A 74 10.663 -12.965 -9.842 1.00 2.30 C ATOM 1103 SD MET A 74 10.748 -14.605 -10.613 1.00 2.76 S ATOM 1104 CE MET A 74 10.029 -14.202 -12.227 1.00 4.49 C ATOM 0 H MET A 74 10.708 -11.556 -5.813 1.00 0.85 H new ATOM 0 HA MET A 74 11.756 -10.953 -8.474 1.00 0.84 H new ATOM 0 HB2 MET A 74 12.007 -13.416 -8.223 1.00 1.02 H new ATOM 0 HB3 MET A 74 10.311 -13.531 -7.796 1.00 1.02 H new ATOM 0 HG2 MET A 74 9.651 -12.575 -9.955 1.00 2.30 H new ATOM 0 HG3 MET A 74 11.327 -12.289 -10.380 1.00 2.30 H new ATOM 0 HE1 MET A 74 9.999 -15.099 -12.846 1.00 4.49 H new ATOM 0 HE2 MET A 74 9.017 -13.822 -12.090 1.00 4.49 H new ATOM 0 HE3 MET A 74 10.638 -13.443 -12.717 1.00 4.49 H new ATOM 1114 N PRO A 75 9.354 -9.964 -8.820 1.00 0.78 N ATOM 1115 CA PRO A 75 8.083 -9.228 -8.882 1.00 0.80 C ATOM 1116 C PRO A 75 6.816 -10.109 -8.972 1.00 0.67 C ATOM 1117 O PRO A 75 6.852 -11.219 -9.511 1.00 0.68 O ATOM 1118 CB PRO A 75 8.214 -8.299 -10.091 1.00 1.06 C ATOM 1119 CG PRO A 75 9.715 -8.138 -10.299 1.00 1.29 C ATOM 1120 CD PRO A 75 10.281 -9.469 -9.823 1.00 0.98 C ATOM 0 HA PRO A 75 7.931 -8.690 -7.946 1.00 0.80 H new ATOM 0 HB2 PRO A 75 7.736 -8.727 -10.972 1.00 1.06 H new ATOM 0 HB3 PRO A 75 7.735 -7.338 -9.905 1.00 1.06 H new ATOM 0 HG2 PRO A 75 9.958 -7.949 -11.345 1.00 1.29 H new ATOM 0 HG3 PRO A 75 10.113 -7.303 -9.723 1.00 1.29 H new ATOM 0 HD2 PRO A 75 10.372 -10.172 -10.651 1.00 0.98 H new ATOM 0 HD3 PRO A 75 11.278 -9.341 -9.403 1.00 0.98 H new ATOM 1128 N VAL A 76 5.687 -9.598 -8.462 1.00 0.63 N ATOM 1129 CA VAL A 76 4.417 -10.322 -8.232 1.00 0.60 C ATOM 1130 C VAL A 76 3.233 -9.623 -8.924 1.00 0.61 C ATOM 1131 O VAL A 76 3.084 -8.405 -8.823 1.00 0.59 O ATOM 1132 CB VAL A 76 4.139 -10.434 -6.713 1.00 0.67 C ATOM 1133 CG1 VAL A 76 2.998 -11.413 -6.418 1.00 0.86 C ATOM 1134 CG2 VAL A 76 5.350 -10.911 -5.897 1.00 0.76 C ATOM 0 H VAL A 76 5.626 -8.619 -8.183 1.00 0.63 H new ATOM 0 HA VAL A 76 4.521 -11.318 -8.662 1.00 0.60 H new ATOM 0 HB VAL A 76 3.881 -9.418 -6.415 1.00 0.67 H new ATOM 0 HG11 VAL A 76 2.832 -11.465 -5.342 1.00 0.86 H new ATOM 0 HG12 VAL A 76 2.088 -11.069 -6.909 1.00 0.86 H new ATOM 0 HG13 VAL A 76 3.261 -12.402 -6.793 1.00 0.86 H new ATOM 0 HG21 VAL A 76 5.080 -10.965 -4.842 1.00 0.76 H new ATOM 0 HG22 VAL A 76 5.657 -11.898 -6.244 1.00 0.76 H new ATOM 0 HG23 VAL A 76 6.174 -10.209 -6.025 1.00 0.76 H new ATOM 1144 N ALA A 77 2.369 -10.370 -9.619 1.00 0.72 N ATOM 1145 CA ALA A 77 1.286 -9.805 -10.439 1.00 0.74 C ATOM 1146 C ALA A 77 0.024 -9.419 -9.636 1.00 0.71 C ATOM 1147 O ALA A 77 -0.400 -10.156 -8.737 1.00 0.84 O ATOM 1148 CB ALA A 77 0.938 -10.790 -11.559 1.00 0.95 C ATOM 0 H ALA A 77 2.399 -11.389 -9.630 1.00 0.72 H new ATOM 0 HA ALA A 77 1.657 -8.869 -10.856 1.00 0.74 H new ATOM 0 HB1 ALA A 77 0.136 -10.377 -12.170 1.00 0.95 H new ATOM 0 HB2 ALA A 77 1.817 -10.960 -12.180 1.00 0.95 H new ATOM 0 HB3 ALA A 77 0.613 -11.735 -11.124 1.00 0.95 H new ATOM 1154 N LYS A 78 -0.615 -8.296 -10.009 1.00 0.61 N ATOM 1155 CA LYS A 78 -1.900 -7.800 -9.475 1.00 0.61 C ATOM 1156 C LYS A 78 -2.928 -7.570 -10.600 1.00 0.65 C ATOM 1157 O LYS A 78 -2.577 -7.080 -11.676 1.00 0.76 O ATOM 1158 CB LYS A 78 -1.690 -6.496 -8.671 1.00 0.58 C ATOM 1159 CG LYS A 78 -0.577 -6.504 -7.603 1.00 0.57 C ATOM 1160 CD LYS A 78 -0.776 -7.511 -6.456 1.00 0.59 C ATOM 1161 CE LYS A 78 0.462 -7.548 -5.541 1.00 0.59 C ATOM 1162 NZ LYS A 78 0.308 -8.512 -4.422 1.00 0.64 N ATOM 0 H LYS A 78 -0.233 -7.679 -10.725 1.00 0.61 H new ATOM 0 HA LYS A 78 -2.295 -8.566 -8.808 1.00 0.61 H new ATOM 0 HB2 LYS A 78 -1.477 -5.693 -9.377 1.00 0.58 H new ATOM 0 HB3 LYS A 78 -2.630 -6.246 -8.179 1.00 0.58 H new ATOM 0 HG2 LYS A 78 0.373 -6.719 -8.093 1.00 0.57 H new ATOM 0 HG3 LYS A 78 -0.497 -5.504 -7.177 1.00 0.57 H new ATOM 0 HD2 LYS A 78 -1.656 -7.237 -5.874 1.00 0.59 H new ATOM 0 HD3 LYS A 78 -0.961 -8.504 -6.866 1.00 0.59 H new ATOM 0 HE2 LYS A 78 1.339 -7.816 -6.131 1.00 0.59 H new ATOM 0 HE3 LYS A 78 0.642 -6.552 -5.137 1.00 0.59 H new ATOM 0 HZ1 LYS A 78 1.152 -8.477 -3.815 1.00 0.64 H new ATOM 0 HZ2 LYS A 78 -0.532 -8.263 -3.862 1.00 0.64 H new ATOM 0 HZ3 LYS A 78 0.197 -9.473 -4.804 1.00 0.64 H new ATOM 1176 N LYS A 79 -4.198 -7.883 -10.321 1.00 0.63 N ATOM 1177 CA LYS A 79 -5.384 -7.838 -11.206 1.00 0.68 C ATOM 1178 C LYS A 79 -6.615 -7.350 -10.409 1.00 0.64 C ATOM 1179 O LYS A 79 -6.502 -7.181 -9.192 1.00 0.63 O ATOM 1180 CB LYS A 79 -5.605 -9.261 -11.782 1.00 0.83 C ATOM 1181 CG LYS A 79 -5.792 -10.358 -10.719 1.00 2.22 C ATOM 1182 CD LYS A 79 -6.240 -11.707 -11.291 1.00 2.44 C ATOM 1183 CE LYS A 79 -7.741 -11.742 -11.622 1.00 3.07 C ATOM 1184 NZ LYS A 79 -8.150 -13.090 -12.084 1.00 3.48 N ATOM 0 H LYS A 79 -4.453 -8.204 -9.387 1.00 0.63 H new ATOM 0 HA LYS A 79 -5.231 -7.138 -12.028 1.00 0.68 H new ATOM 0 HB2 LYS A 79 -6.483 -9.245 -12.428 1.00 0.83 H new ATOM 0 HB3 LYS A 79 -4.752 -9.522 -12.409 1.00 0.83 H new ATOM 0 HG2 LYS A 79 -4.852 -10.495 -10.184 1.00 2.22 H new ATOM 0 HG3 LYS A 79 -6.528 -10.021 -9.989 1.00 2.22 H new ATOM 0 HD2 LYS A 79 -5.668 -11.922 -12.194 1.00 2.44 H new ATOM 0 HD3 LYS A 79 -6.012 -12.495 -10.573 1.00 2.44 H new ATOM 0 HE2 LYS A 79 -8.318 -11.465 -10.740 1.00 3.07 H new ATOM 0 HE3 LYS A 79 -7.964 -11.005 -12.394 1.00 3.07 H new ATOM 0 HZ1 LYS A 79 -9.167 -13.089 -12.301 1.00 3.48 H new ATOM 0 HZ2 LYS A 79 -7.614 -13.342 -12.939 1.00 3.48 H new ATOM 0 HZ3 LYS A 79 -7.957 -13.787 -11.336 1.00 3.48 H new ATOM 1198 N PRO A 80 -7.801 -7.120 -11.011 1.00 0.66 N ATOM 1199 CA PRO A 80 -9.015 -6.917 -10.222 1.00 0.67 C ATOM 1200 C PRO A 80 -9.330 -8.170 -9.386 1.00 0.69 C ATOM 1201 O PRO A 80 -9.423 -9.283 -9.915 1.00 0.85 O ATOM 1202 CB PRO A 80 -10.121 -6.579 -11.225 1.00 0.74 C ATOM 1203 CG PRO A 80 -9.620 -7.186 -12.535 1.00 0.79 C ATOM 1204 CD PRO A 80 -8.111 -6.979 -12.427 1.00 0.71 C ATOM 0 HA PRO A 80 -8.908 -6.107 -9.501 1.00 0.67 H new ATOM 0 HB2 PRO A 80 -11.078 -7.007 -10.925 1.00 0.74 H new ATOM 0 HB3 PRO A 80 -10.267 -5.502 -11.313 1.00 0.74 H new ATOM 0 HG2 PRO A 80 -9.882 -8.241 -12.622 1.00 0.79 H new ATOM 0 HG3 PRO A 80 -10.039 -6.681 -13.405 1.00 0.79 H new ATOM 0 HD2 PRO A 80 -7.570 -7.714 -13.023 1.00 0.71 H new ATOM 0 HD3 PRO A 80 -7.822 -5.995 -12.796 1.00 0.71 H new ATOM 1212 N GLY A 81 -9.502 -7.980 -8.077 1.00 0.67 N ATOM 1213 CA GLY A 81 -9.596 -9.045 -7.079 1.00 0.69 C ATOM 1214 C GLY A 81 -8.242 -9.507 -6.517 1.00 0.64 C ATOM 1215 O GLY A 81 -8.097 -10.698 -6.227 1.00 0.76 O ATOM 0 H GLY A 81 -9.582 -7.049 -7.669 1.00 0.67 H new ATOM 0 HA2 GLY A 81 -10.220 -8.700 -6.254 1.00 0.69 H new ATOM 0 HA3 GLY A 81 -10.102 -9.901 -7.525 1.00 0.69 H new ATOM 1219 N SER A 82 -7.264 -8.607 -6.343 1.00 0.61 N ATOM 1220 CA SER A 82 -5.935 -8.931 -5.755 1.00 0.57 C ATOM 1221 C SER A 82 -5.661 -8.117 -4.495 1.00 0.55 C ATOM 1222 O SER A 82 -6.146 -6.996 -4.399 1.00 0.62 O ATOM 1223 CB SER A 82 -4.777 -8.627 -6.712 1.00 0.57 C ATOM 1224 OG SER A 82 -4.837 -9.377 -7.898 1.00 1.45 O ATOM 0 H SER A 82 -7.363 -7.626 -6.604 1.00 0.61 H new ATOM 0 HA SER A 82 -5.983 -9.998 -5.538 1.00 0.57 H new ATOM 0 HB2 SER A 82 -4.785 -7.565 -6.959 1.00 0.57 H new ATOM 0 HB3 SER A 82 -3.832 -8.830 -6.207 1.00 0.57 H new ATOM 0 HG SER A 82 -3.968 -9.799 -8.062 1.00 1.45 H new ATOM 1230 N THR A 83 -4.845 -8.590 -3.551 1.00 0.60 N ATOM 1231 CA THR A 83 -4.460 -7.800 -2.362 1.00 0.58 C ATOM 1232 C THR A 83 -3.058 -7.185 -2.468 1.00 0.50 C ATOM 1233 O THR A 83 -2.178 -7.680 -3.177 1.00 0.50 O ATOM 1234 CB THR A 83 -4.660 -8.578 -1.053 1.00 0.74 C ATOM 1235 OG1 THR A 83 -3.946 -9.791 -1.055 1.00 0.82 O ATOM 1236 CG2 THR A 83 -6.136 -8.901 -0.810 1.00 0.89 C ATOM 0 H THR A 83 -4.431 -9.522 -3.581 1.00 0.60 H new ATOM 0 HA THR A 83 -5.149 -6.956 -2.334 1.00 0.58 H new ATOM 0 HB THR A 83 -4.286 -7.931 -0.259 1.00 0.74 H new ATOM 0 HG1 THR A 83 -4.094 -10.259 -0.207 1.00 0.82 H new ATOM 0 HG21 THR A 83 -6.239 -9.452 0.125 1.00 0.89 H new ATOM 0 HG22 THR A 83 -6.706 -7.974 -0.750 1.00 0.89 H new ATOM 0 HG23 THR A 83 -6.516 -9.508 -1.632 1.00 0.89 H new ATOM 1244 N VAL A 84 -2.862 -6.059 -1.779 1.00 0.49 N ATOM 1245 CA VAL A 84 -1.618 -5.267 -1.756 1.00 0.48 C ATOM 1246 C VAL A 84 -1.268 -4.818 -0.336 1.00 0.51 C ATOM 1247 O VAL A 84 -2.150 -4.703 0.520 1.00 0.54 O ATOM 1248 CB VAL A 84 -1.685 -4.044 -2.699 1.00 0.49 C ATOM 1249 CG1 VAL A 84 -1.636 -4.474 -4.168 1.00 0.51 C ATOM 1250 CG2 VAL A 84 -2.932 -3.174 -2.474 1.00 0.52 C ATOM 0 H VAL A 84 -3.593 -5.652 -1.195 1.00 0.49 H new ATOM 0 HA VAL A 84 -0.828 -5.924 -2.119 1.00 0.48 H new ATOM 0 HB VAL A 84 -0.809 -3.442 -2.458 1.00 0.49 H new ATOM 0 HG11 VAL A 84 -1.685 -3.592 -4.807 1.00 0.51 H new ATOM 0 HG12 VAL A 84 -0.706 -5.010 -4.359 1.00 0.51 H new ATOM 0 HG13 VAL A 84 -2.482 -5.126 -4.385 1.00 0.51 H new ATOM 0 HG21 VAL A 84 -2.919 -2.333 -3.167 1.00 0.52 H new ATOM 0 HG22 VAL A 84 -3.828 -3.771 -2.645 1.00 0.52 H new ATOM 0 HG23 VAL A 84 -2.935 -2.800 -1.450 1.00 0.52 H new ATOM 1260 N ILE A 85 0.017 -4.563 -0.082 1.00 0.54 N ATOM 1261 CA ILE A 85 0.564 -4.135 1.219 1.00 0.56 C ATOM 1262 C ILE A 85 1.346 -2.817 1.131 1.00 0.60 C ATOM 1263 O ILE A 85 2.043 -2.538 0.152 1.00 0.91 O ATOM 1264 CB ILE A 85 1.384 -5.247 1.931 1.00 0.57 C ATOM 1265 CG1 ILE A 85 2.088 -6.263 1.006 1.00 0.85 C ATOM 1266 CG2 ILE A 85 0.491 -6.039 2.897 1.00 0.77 C ATOM 1267 CD1 ILE A 85 3.107 -5.607 0.081 1.00 0.62 C ATOM 0 H ILE A 85 0.737 -4.650 -0.800 1.00 0.54 H new ATOM 0 HA ILE A 85 -0.306 -3.943 1.848 1.00 0.56 H new ATOM 0 HB ILE A 85 2.170 -4.695 2.446 1.00 0.57 H new ATOM 0 HG12 ILE A 85 2.588 -7.017 1.614 1.00 0.85 H new ATOM 0 HG13 ILE A 85 1.340 -6.782 0.407 1.00 0.85 H new ATOM 0 HG21 ILE A 85 1.082 -6.813 3.387 1.00 0.77 H new ATOM 0 HG22 ILE A 85 0.081 -5.365 3.649 1.00 0.77 H new ATOM 0 HG23 ILE A 85 -0.325 -6.502 2.342 1.00 0.77 H new ATOM 0 HD11 ILE A 85 3.571 -6.368 -0.547 1.00 0.62 H new ATOM 0 HD12 ILE A 85 2.606 -4.872 -0.550 1.00 0.62 H new ATOM 0 HD13 ILE A 85 3.873 -5.111 0.677 1.00 0.62 H new ATOM 1279 N ALA A 86 1.227 -2.006 2.186 1.00 0.50 N ATOM 1280 CA ALA A 86 1.868 -0.699 2.298 1.00 0.53 C ATOM 1281 C ALA A 86 3.402 -0.778 2.179 1.00 0.52 C ATOM 1282 O ALA A 86 4.020 -1.758 2.586 1.00 0.53 O ATOM 1283 CB ALA A 86 1.446 -0.066 3.628 1.00 0.60 C ATOM 0 H ALA A 86 0.668 -2.249 3.004 1.00 0.50 H new ATOM 0 HA ALA A 86 1.540 -0.077 1.465 1.00 0.53 H new ATOM 0 HB1 ALA A 86 1.915 0.912 3.730 1.00 0.60 H new ATOM 0 HB2 ALA A 86 0.362 0.047 3.649 1.00 0.60 H new ATOM 0 HB3 ALA A 86 1.760 -0.707 4.452 1.00 0.60 H new ATOM 1289 N GLY A 87 4.017 0.266 1.623 1.00 0.55 N ATOM 1290 CA GLY A 87 5.471 0.374 1.469 1.00 0.60 C ATOM 1291 C GLY A 87 6.080 -0.431 0.311 1.00 0.62 C ATOM 1292 O GLY A 87 7.268 -0.258 0.033 1.00 0.76 O ATOM 0 H GLY A 87 3.512 1.075 1.260 1.00 0.55 H new ATOM 0 HA2 GLY A 87 5.726 1.425 1.330 1.00 0.60 H new ATOM 0 HA3 GLY A 87 5.941 0.052 2.398 1.00 0.60 H new ATOM 1296 N SER A 88 5.293 -1.260 -0.387 1.00 0.57 N ATOM 1297 CA SER A 88 5.697 -1.906 -1.647 1.00 0.58 C ATOM 1298 C SER A 88 5.583 -0.947 -2.844 1.00 0.51 C ATOM 1299 O SER A 88 4.941 0.109 -2.743 1.00 0.55 O ATOM 1300 CB SER A 88 4.914 -3.208 -1.877 1.00 0.62 C ATOM 1301 OG SER A 88 3.527 -2.992 -2.058 1.00 1.29 O ATOM 0 H SER A 88 4.348 -1.505 -0.092 1.00 0.57 H new ATOM 0 HA SER A 88 6.751 -2.170 -1.558 1.00 0.58 H new ATOM 0 HB2 SER A 88 5.315 -3.717 -2.754 1.00 0.62 H new ATOM 0 HB3 SER A 88 5.065 -3.872 -1.026 1.00 0.62 H new ATOM 0 HG SER A 88 3.122 -2.732 -1.204 1.00 1.29 H new ATOM 1307 N ILE A 89 6.232 -1.293 -3.963 1.00 0.46 N ATOM 1308 CA ILE A 89 6.354 -0.431 -5.156 1.00 0.43 C ATOM 1309 C ILE A 89 5.544 -0.992 -6.333 1.00 0.44 C ATOM 1310 O ILE A 89 5.691 -2.165 -6.678 1.00 0.48 O ATOM 1311 CB ILE A 89 7.832 -0.222 -5.578 1.00 0.49 C ATOM 1312 CG1 ILE A 89 8.870 -0.210 -4.429 1.00 0.59 C ATOM 1313 CG2 ILE A 89 7.937 1.067 -6.414 1.00 0.59 C ATOM 1314 CD1 ILE A 89 8.707 0.900 -3.386 1.00 0.68 C ATOM 0 H ILE A 89 6.697 -2.195 -4.071 1.00 0.46 H new ATOM 0 HA ILE A 89 5.945 0.541 -4.880 1.00 0.43 H new ATOM 0 HB ILE A 89 8.098 -1.103 -6.162 1.00 0.49 H new ATOM 0 HG12 ILE A 89 8.826 -1.171 -3.917 1.00 0.59 H new ATOM 0 HG13 ILE A 89 9.865 -0.127 -4.866 1.00 0.59 H new ATOM 0 HG21 ILE A 89 8.973 1.222 -6.715 1.00 0.59 H new ATOM 0 HG22 ILE A 89 7.311 0.977 -7.302 1.00 0.59 H new ATOM 0 HG23 ILE A 89 7.602 1.916 -5.818 1.00 0.59 H new ATOM 0 HD11 ILE A 89 9.489 0.808 -2.632 1.00 0.68 H new ATOM 0 HD12 ILE A 89 8.786 1.872 -3.874 1.00 0.68 H new ATOM 0 HD13 ILE A 89 7.731 0.811 -2.909 1.00 0.68 H new ATOM 1326 N ASN A 90 4.719 -0.155 -6.966 1.00 0.52 N ATOM 1327 CA ASN A 90 3.921 -0.472 -8.153 1.00 0.58 C ATOM 1328 C ASN A 90 4.687 -0.113 -9.441 1.00 0.67 C ATOM 1329 O ASN A 90 5.251 0.977 -9.529 1.00 0.80 O ATOM 1330 CB ASN A 90 2.598 0.306 -8.044 1.00 0.68 C ATOM 1331 CG ASN A 90 1.602 -0.076 -9.108 1.00 0.89 C ATOM 1332 OD1 ASN A 90 0.986 -1.126 -9.062 1.00 1.86 O ATOM 1333 ND2 ASN A 90 1.403 0.768 -10.085 1.00 0.40 N ATOM 0 H ASN A 90 4.583 0.806 -6.651 1.00 0.52 H new ATOM 0 HA ASN A 90 3.717 -1.542 -8.204 1.00 0.58 H new ATOM 0 HB2 ASN A 90 2.159 0.129 -7.062 1.00 0.68 H new ATOM 0 HB3 ASN A 90 2.804 1.374 -8.113 1.00 0.68 H new ATOM 0 HD21 ASN A 90 0.727 0.550 -10.817 1.00 0.40 H new ATOM 0 HD22 ASN A 90 1.923 1.645 -10.115 1.00 0.40 H new ATOM 1340 N GLN A 91 4.686 -0.994 -10.448 1.00 0.73 N ATOM 1341 CA GLN A 91 5.486 -0.816 -11.667 1.00 0.85 C ATOM 1342 C GLN A 91 4.773 -0.026 -12.781 1.00 1.40 C ATOM 1343 O GLN A 91 4.631 1.189 -12.670 1.00 3.11 O ATOM 1344 CB GLN A 91 6.107 -2.155 -12.119 1.00 1.26 C ATOM 1345 CG GLN A 91 7.150 -2.695 -11.123 1.00 2.77 C ATOM 1346 CD GLN A 91 8.373 -1.789 -11.009 1.00 2.78 C ATOM 1347 OE1 GLN A 91 8.544 -1.033 -10.061 1.00 3.44 O ATOM 1348 NE2 GLN A 91 9.260 -1.807 -11.978 1.00 3.25 N ATOM 0 H GLN A 91 4.131 -1.850 -10.442 1.00 0.73 H new ATOM 0 HA GLN A 91 6.319 -0.161 -11.411 1.00 0.85 H new ATOM 0 HB2 GLN A 91 5.315 -2.893 -12.245 1.00 1.26 H new ATOM 0 HB3 GLN A 91 6.577 -2.022 -13.094 1.00 1.26 H new ATOM 0 HG2 GLN A 91 6.689 -2.802 -10.141 1.00 2.77 H new ATOM 0 HG3 GLN A 91 7.467 -3.690 -11.437 1.00 2.77 H new ATOM 0 HE21 GLN A 91 9.132 -2.431 -12.775 1.00 3.25 H new ATOM 0 HE22 GLN A 91 10.076 -1.197 -11.934 1.00 3.25 H new ATOM 1357 N ASN A 92 4.330 -0.672 -13.866 1.00 0.80 N ATOM 1358 CA ASN A 92 3.899 0.020 -15.087 1.00 1.28 C ATOM 1359 C ASN A 92 2.457 0.572 -15.100 1.00 1.41 C ATOM 1360 O ASN A 92 2.245 1.694 -15.561 1.00 2.84 O ATOM 1361 CB ASN A 92 4.172 -0.927 -16.269 1.00 1.85 C ATOM 1362 CG ASN A 92 3.669 -0.339 -17.572 1.00 2.45 C ATOM 1363 OD1 ASN A 92 4.267 0.581 -18.120 1.00 3.14 O ATOM 1364 ND2 ASN A 92 2.528 -0.789 -18.039 1.00 2.48 N ATOM 0 H ASN A 92 4.260 -1.688 -13.923 1.00 0.80 H new ATOM 0 HA ASN A 92 4.482 0.938 -15.157 1.00 1.28 H new ATOM 0 HB2 ASN A 92 5.242 -1.120 -16.344 1.00 1.85 H new ATOM 0 HB3 ASN A 92 3.687 -1.886 -16.089 1.00 1.85 H new ATOM 0 HD21 ASN A 92 2.120 -0.372 -18.876 1.00 2.48 H new ATOM 0 HD22 ASN A 92 2.050 -1.555 -17.565 1.00 2.48 H new ATOM 1371 N GLY A 93 1.463 -0.201 -14.659 1.00 0.86 N ATOM 1372 CA GLY A 93 0.042 0.158 -14.769 1.00 1.12 C ATOM 1373 C GLY A 93 -0.513 0.845 -13.520 1.00 1.16 C ATOM 1374 O GLY A 93 -0.199 0.441 -12.398 1.00 1.93 O ATOM 0 H GLY A 93 1.620 -1.104 -14.210 1.00 0.86 H new ATOM 0 HA2 GLY A 93 -0.093 0.817 -15.627 1.00 1.12 H new ATOM 0 HA3 GLY A 93 -0.538 -0.744 -14.966 1.00 1.12 H new ATOM 1378 N SER A 94 -1.370 1.857 -13.697 1.00 0.86 N ATOM 1379 CA SER A 94 -2.117 2.480 -12.593 1.00 0.92 C ATOM 1380 C SER A 94 -3.388 1.699 -12.228 1.00 0.77 C ATOM 1381 O SER A 94 -4.128 1.245 -13.107 1.00 0.93 O ATOM 1382 CB SER A 94 -2.421 3.954 -12.881 1.00 1.47 C ATOM 1383 OG SER A 94 -3.122 4.135 -14.097 1.00 1.60 O ATOM 0 H SER A 94 -1.567 2.269 -14.609 1.00 0.86 H new ATOM 0 HA SER A 94 -1.469 2.443 -11.717 1.00 0.92 H new ATOM 0 HB2 SER A 94 -3.009 4.367 -12.061 1.00 1.47 H new ATOM 0 HB3 SER A 94 -1.487 4.514 -12.917 1.00 1.47 H new ATOM 0 HG SER A 94 -3.294 5.090 -14.236 1.00 1.60 H new ATOM 1389 N LEU A 95 -3.651 1.534 -10.926 1.00 0.67 N ATOM 1390 CA LEU A 95 -4.700 0.652 -10.381 1.00 0.57 C ATOM 1391 C LEU A 95 -5.589 1.376 -9.356 1.00 0.57 C ATOM 1392 O LEU A 95 -5.146 2.327 -8.706 1.00 0.68 O ATOM 1393 CB LEU A 95 -4.066 -0.585 -9.708 1.00 0.52 C ATOM 1394 CG LEU A 95 -2.972 -1.357 -10.452 1.00 0.67 C ATOM 1395 CD1 LEU A 95 -2.396 -2.444 -9.540 1.00 0.75 C ATOM 1396 CD2 LEU A 95 -3.539 -2.023 -11.687 1.00 0.94 C ATOM 0 H LEU A 95 -3.128 2.022 -10.199 1.00 0.67 H new ATOM 0 HA LEU A 95 -5.323 0.345 -11.221 1.00 0.57 H new ATOM 0 HB2 LEU A 95 -3.650 -0.263 -8.753 1.00 0.52 H new ATOM 0 HB3 LEU A 95 -4.870 -1.286 -9.485 1.00 0.52 H new ATOM 0 HG LEU A 95 -2.193 -0.651 -10.742 1.00 0.67 H new ATOM 0 HD11 LEU A 95 -1.618 -2.991 -10.073 1.00 0.75 H new ATOM 0 HD12 LEU A 95 -1.970 -1.983 -8.649 1.00 0.75 H new ATOM 0 HD13 LEU A 95 -3.189 -3.133 -9.249 1.00 0.75 H new ATOM 0 HD21 LEU A 95 -2.748 -2.567 -12.203 1.00 0.94 H new ATOM 0 HD22 LEU A 95 -4.327 -2.718 -11.396 1.00 0.94 H new ATOM 0 HD23 LEU A 95 -3.951 -1.265 -12.352 1.00 0.94 H new ATOM 1408 N LEU A 96 -6.819 0.884 -9.166 1.00 0.54 N ATOM 1409 CA LEU A 96 -7.763 1.377 -8.151 1.00 0.56 C ATOM 1410 C LEU A 96 -7.765 0.462 -6.917 1.00 0.49 C ATOM 1411 O LEU A 96 -8.039 -0.738 -7.038 1.00 0.52 O ATOM 1412 CB LEU A 96 -9.187 1.507 -8.733 1.00 0.76 C ATOM 1413 CG LEU A 96 -9.500 2.743 -9.602 1.00 1.08 C ATOM 1414 CD1 LEU A 96 -9.371 4.029 -8.791 1.00 2.26 C ATOM 1415 CD2 LEU A 96 -8.632 2.884 -10.853 1.00 2.67 C ATOM 0 H LEU A 96 -7.195 0.117 -9.723 1.00 0.54 H new ATOM 0 HA LEU A 96 -7.433 2.369 -7.842 1.00 0.56 H new ATOM 0 HB2 LEU A 96 -9.387 0.618 -9.331 1.00 0.76 H new ATOM 0 HB3 LEU A 96 -9.891 1.496 -7.901 1.00 0.76 H new ATOM 0 HG LEU A 96 -10.526 2.582 -9.934 1.00 1.08 H new ATOM 0 HD11 LEU A 96 -9.597 4.885 -9.427 1.00 2.26 H new ATOM 0 HD12 LEU A 96 -10.070 4.004 -7.955 1.00 2.26 H new ATOM 0 HD13 LEU A 96 -8.354 4.119 -8.410 1.00 2.26 H new ATOM 0 HD21 LEU A 96 -8.925 3.780 -11.400 1.00 2.67 H new ATOM 0 HD22 LEU A 96 -7.584 2.962 -10.562 1.00 2.67 H new ATOM 0 HD23 LEU A 96 -8.767 2.010 -11.490 1.00 2.67 H new ATOM 1427 N ILE A 97 -7.467 1.032 -5.743 1.00 0.47 N ATOM 1428 CA ILE A 97 -7.294 0.303 -4.474 1.00 0.48 C ATOM 1429 C ILE A 97 -8.364 0.690 -3.440 1.00 0.44 C ATOM 1430 O ILE A 97 -8.451 1.849 -3.043 1.00 0.46 O ATOM 1431 CB ILE A 97 -5.885 0.563 -3.876 1.00 0.59 C ATOM 1432 CG1 ILE A 97 -4.729 0.677 -4.895 1.00 0.91 C ATOM 1433 CG2 ILE A 97 -5.569 -0.489 -2.796 1.00 0.61 C ATOM 1434 CD1 ILE A 97 -4.485 -0.587 -5.717 1.00 1.48 C ATOM 0 H ILE A 97 -7.336 2.039 -5.643 1.00 0.47 H new ATOM 0 HA ILE A 97 -7.403 -0.757 -4.702 1.00 0.48 H new ATOM 0 HB ILE A 97 -5.944 1.558 -3.436 1.00 0.59 H new ATOM 0 HG12 ILE A 97 -4.940 1.503 -5.575 1.00 0.91 H new ATOM 0 HG13 ILE A 97 -3.813 0.930 -4.361 1.00 0.91 H new ATOM 0 HG21 ILE A 97 -4.579 -0.299 -2.382 1.00 0.61 H new ATOM 0 HG22 ILE A 97 -6.312 -0.429 -2.001 1.00 0.61 H new ATOM 0 HG23 ILE A 97 -5.592 -1.484 -3.240 1.00 0.61 H new ATOM 0 HD11 ILE A 97 -3.657 -0.419 -6.406 1.00 1.48 H new ATOM 0 HD12 ILE A 97 -4.240 -1.413 -5.050 1.00 1.48 H new ATOM 0 HD13 ILE A 97 -5.384 -0.832 -6.283 1.00 1.48 H new ATOM 1446 N CYS A 98 -9.134 -0.267 -2.920 1.00 0.45 N ATOM 1447 CA CYS A 98 -9.999 -0.044 -1.760 1.00 0.48 C ATOM 1448 C CYS A 98 -9.147 -0.102 -0.484 1.00 0.55 C ATOM 1449 O CYS A 98 -8.542 -1.139 -0.189 1.00 0.68 O ATOM 1450 CB CYS A 98 -11.110 -1.103 -1.695 1.00 0.69 C ATOM 1451 SG CYS A 98 -12.217 -1.010 -3.119 1.00 2.28 S ATOM 0 H CYS A 98 -9.176 -1.217 -3.290 1.00 0.45 H new ATOM 0 HA CYS A 98 -10.469 0.935 -1.850 1.00 0.48 H new ATOM 0 HB2 CYS A 98 -10.662 -2.096 -1.648 1.00 0.69 H new ATOM 0 HB3 CYS A 98 -11.685 -0.969 -0.779 1.00 0.69 H new ATOM 0 HG CYS A 98 -13.134 -1.926 -3.016 1.00 2.28 H new ATOM 1457 N ALA A 99 -9.117 0.981 0.295 1.00 0.55 N ATOM 1458 CA ALA A 99 -8.461 0.982 1.597 1.00 0.61 C ATOM 1459 C ALA A 99 -9.372 0.308 2.635 1.00 0.65 C ATOM 1460 O ALA A 99 -10.473 0.794 2.892 1.00 0.78 O ATOM 1461 CB ALA A 99 -8.122 2.430 1.978 1.00 0.67 C ATOM 0 H ALA A 99 -9.543 1.872 0.041 1.00 0.55 H new ATOM 0 HA ALA A 99 -7.532 0.413 1.562 1.00 0.61 H new ATOM 0 HB1 ALA A 99 -7.630 2.445 2.951 1.00 0.67 H new ATOM 0 HB2 ALA A 99 -7.456 2.857 1.228 1.00 0.67 H new ATOM 0 HB3 ALA A 99 -9.039 3.018 2.026 1.00 0.67 H new ATOM 1467 N THR A 100 -8.918 -0.797 3.230 1.00 0.68 N ATOM 1468 CA THR A 100 -9.621 -1.508 4.319 1.00 0.80 C ATOM 1469 C THR A 100 -8.938 -1.357 5.681 1.00 0.76 C ATOM 1470 O THR A 100 -9.467 -1.829 6.689 1.00 0.81 O ATOM 1471 CB THR A 100 -9.823 -2.996 3.979 1.00 1.01 C ATOM 1472 OG1 THR A 100 -8.595 -3.613 3.660 1.00 2.15 O ATOM 1473 CG2 THR A 100 -10.744 -3.188 2.774 1.00 1.60 C ATOM 0 H THR A 100 -8.036 -1.237 2.969 1.00 0.68 H new ATOM 0 HA THR A 100 -10.597 -1.030 4.403 1.00 0.80 H new ATOM 0 HB THR A 100 -10.269 -3.447 4.866 1.00 1.01 H new ATOM 0 HG1 THR A 100 -7.963 -3.485 4.398 1.00 2.15 H new ATOM 0 HG21 THR A 100 -10.859 -4.253 2.570 1.00 1.60 H new ATOM 0 HG22 THR A 100 -11.720 -2.753 2.989 1.00 1.60 H new ATOM 0 HG23 THR A 100 -10.311 -2.696 1.903 1.00 1.60 H new ATOM 1481 N HIS A 101 -7.816 -0.630 5.739 1.00 0.71 N ATOM 1482 CA HIS A 101 -7.077 -0.321 6.962 1.00 0.72 C ATOM 1483 C HIS A 101 -6.602 1.137 6.982 1.00 0.68 C ATOM 1484 O HIS A 101 -6.134 1.641 5.959 1.00 0.68 O ATOM 1485 CB HIS A 101 -5.842 -1.233 7.075 1.00 0.87 C ATOM 1486 CG HIS A 101 -6.140 -2.708 7.011 1.00 1.09 C ATOM 1487 ND1 HIS A 101 -6.280 -3.457 5.864 1.00 1.24 N ATOM 1488 CD2 HIS A 101 -6.314 -3.552 8.071 1.00 1.48 C ATOM 1489 CE1 HIS A 101 -6.565 -4.718 6.221 1.00 1.47 C ATOM 1490 NE2 HIS A 101 -6.542 -4.838 7.562 1.00 1.65 N ATOM 0 H HIS A 101 -7.386 -0.229 4.906 1.00 0.71 H new ATOM 0 HA HIS A 101 -7.755 -0.485 7.800 1.00 0.72 H new ATOM 0 HB2 HIS A 101 -5.147 -0.982 6.274 1.00 0.87 H new ATOM 0 HB3 HIS A 101 -5.334 -1.019 8.016 1.00 0.87 H new ATOM 0 HD1 HIS A 101 -6.184 -3.113 4.909 1.00 1.24 H new ATOM 0 HD2 HIS A 101 -6.282 -3.277 9.115 1.00 1.48 H new ATOM 0 HE1 HIS A 101 -6.782 -5.521 5.532 1.00 1.47 H new ATOM 1498 N VAL A 102 -6.682 1.804 8.139 1.00 0.76 N ATOM 1499 CA VAL A 102 -5.981 3.084 8.365 1.00 0.85 C ATOM 1500 C VAL A 102 -4.509 2.791 8.666 1.00 0.90 C ATOM 1501 O VAL A 102 -4.169 1.691 9.104 1.00 0.91 O ATOM 1502 CB VAL A 102 -6.626 3.957 9.459 1.00 0.95 C ATOM 1503 CG1 VAL A 102 -7.944 4.544 8.950 1.00 1.56 C ATOM 1504 CG2 VAL A 102 -6.877 3.221 10.779 1.00 1.54 C ATOM 0 H VAL A 102 -7.226 1.481 8.939 1.00 0.76 H new ATOM 0 HA VAL A 102 -6.064 3.678 7.455 1.00 0.85 H new ATOM 0 HB VAL A 102 -5.905 4.745 9.674 1.00 0.95 H new ATOM 0 HG11 VAL A 102 -8.393 5.160 9.729 1.00 1.56 H new ATOM 0 HG12 VAL A 102 -7.753 5.156 8.069 1.00 1.56 H new ATOM 0 HG13 VAL A 102 -8.626 3.735 8.689 1.00 1.56 H new ATOM 0 HG21 VAL A 102 -7.332 3.904 11.496 1.00 1.54 H new ATOM 0 HG22 VAL A 102 -7.547 2.379 10.604 1.00 1.54 H new ATOM 0 HG23 VAL A 102 -5.931 2.855 11.177 1.00 1.54 H new ATOM 1514 N GLY A 103 -3.609 3.752 8.451 1.00 1.04 N ATOM 1515 CA GLY A 103 -2.155 3.524 8.481 1.00 1.20 C ATOM 1516 C GLY A 103 -1.602 2.951 9.791 1.00 1.27 C ATOM 1517 O GLY A 103 -0.691 2.121 9.759 1.00 1.36 O ATOM 0 H GLY A 103 -3.866 4.718 8.249 1.00 1.04 H new ATOM 0 HA2 GLY A 103 -1.895 2.844 7.669 1.00 1.20 H new ATOM 0 HA3 GLY A 103 -1.653 4.470 8.278 1.00 1.20 H new ATOM 1521 N ALA A 104 -2.167 3.338 10.937 1.00 1.34 N ATOM 1522 CA ALA A 104 -1.811 2.790 12.251 1.00 1.49 C ATOM 1523 C ALA A 104 -2.306 1.345 12.503 1.00 1.34 C ATOM 1524 O ALA A 104 -1.685 0.598 13.261 1.00 1.41 O ATOM 1525 CB ALA A 104 -2.343 3.754 13.315 1.00 1.80 C ATOM 0 H ALA A 104 -2.895 4.051 10.981 1.00 1.34 H new ATOM 0 HA ALA A 104 -0.725 2.707 12.296 1.00 1.49 H new ATOM 0 HB1 ALA A 104 -2.094 3.375 14.306 1.00 1.80 H new ATOM 0 HB2 ALA A 104 -1.888 4.735 13.177 1.00 1.80 H new ATOM 0 HB3 ALA A 104 -3.426 3.839 13.220 1.00 1.80 H new ATOM 1531 N ASP A 105 -3.436 0.962 11.899 1.00 1.24 N ATOM 1532 CA ASP A 105 -4.000 -0.398 11.909 1.00 1.23 C ATOM 1533 C ASP A 105 -3.359 -1.385 10.909 1.00 1.04 C ATOM 1534 O ASP A 105 -3.700 -2.567 10.911 1.00 1.15 O ATOM 1535 CB ASP A 105 -5.525 -0.320 11.756 1.00 1.44 C ATOM 1536 CG ASP A 105 -6.246 -1.621 12.136 1.00 1.71 C ATOM 1537 OD1 ASP A 105 -5.901 -2.250 13.169 1.00 2.54 O ATOM 1538 OD2 ASP A 105 -7.224 -1.979 11.441 1.00 2.08 O ATOM 0 H ASP A 105 -4.009 1.617 11.367 1.00 1.24 H new ATOM 0 HA ASP A 105 -3.749 -0.829 12.878 1.00 1.23 H new ATOM 0 HB2 ASP A 105 -5.904 0.491 12.378 1.00 1.44 H new ATOM 0 HB3 ASP A 105 -5.766 -0.069 10.723 1.00 1.44 H new ATOM 1543 N THR A 106 -2.483 -0.915 10.012 1.00 0.89 N ATOM 1544 CA THR A 106 -1.924 -1.699 8.887 1.00 0.89 C ATOM 1545 C THR A 106 -1.168 -2.961 9.304 1.00 0.95 C ATOM 1546 O THR A 106 -0.601 -3.045 10.395 1.00 0.99 O ATOM 1547 CB THR A 106 -0.942 -0.874 8.034 1.00 0.90 C ATOM 1548 OG1 THR A 106 0.057 -0.289 8.843 1.00 1.61 O ATOM 1549 CG2 THR A 106 -1.630 0.180 7.182 1.00 1.31 C ATOM 0 H THR A 106 -2.131 0.042 10.043 1.00 0.89 H new ATOM 0 HA THR A 106 -2.813 -1.981 8.323 1.00 0.89 H new ATOM 0 HB THR A 106 -0.474 -1.574 7.342 1.00 0.90 H new ATOM 0 HG1 THR A 106 -0.295 0.525 9.261 1.00 1.61 H new ATOM 0 HG21 THR A 106 -0.883 0.726 6.606 1.00 1.31 H new ATOM 0 HG22 THR A 106 -2.332 -0.303 6.502 1.00 1.31 H new ATOM 0 HG23 THR A 106 -2.169 0.874 7.827 1.00 1.31 H new ATOM 1557 N THR A 107 -1.042 -3.911 8.374 1.00 1.13 N ATOM 1558 CA THR A 107 -0.188 -5.103 8.532 1.00 1.28 C ATOM 1559 C THR A 107 1.278 -4.707 8.724 1.00 1.21 C ATOM 1560 O THR A 107 1.997 -5.308 9.516 1.00 1.25 O ATOM 1561 CB THR A 107 -0.308 -6.012 7.298 1.00 1.60 C ATOM 1562 OG1 THR A 107 -1.666 -6.232 6.995 1.00 3.25 O ATOM 1563 CG2 THR A 107 0.350 -7.375 7.499 1.00 2.03 C ATOM 0 H THR A 107 -1.532 -3.879 7.480 1.00 1.13 H new ATOM 0 HA THR A 107 -0.527 -5.640 9.418 1.00 1.28 H new ATOM 0 HB THR A 107 0.205 -5.496 6.487 1.00 1.60 H new ATOM 0 HG1 THR A 107 -1.736 -6.810 6.207 1.00 3.25 H new ATOM 0 HG21 THR A 107 0.233 -7.972 6.595 1.00 2.03 H new ATOM 0 HG22 THR A 107 1.411 -7.239 7.710 1.00 2.03 H new ATOM 0 HG23 THR A 107 -0.123 -7.888 8.336 1.00 2.03 H new ATOM 1571 N LEU A 108 1.719 -3.639 8.052 1.00 1.17 N ATOM 1572 CA LEU A 108 3.092 -3.134 8.118 1.00 1.15 C ATOM 1573 C LEU A 108 3.463 -2.646 9.532 1.00 1.06 C ATOM 1574 O LEU A 108 4.525 -2.984 10.053 1.00 1.08 O ATOM 1575 CB LEU A 108 3.219 -2.012 7.072 1.00 1.22 C ATOM 1576 CG LEU A 108 4.664 -1.777 6.606 1.00 0.67 C ATOM 1577 CD1 LEU A 108 5.122 -2.857 5.635 1.00 1.47 C ATOM 1578 CD2 LEU A 108 4.741 -0.457 5.862 1.00 0.72 C ATOM 0 H LEU A 108 1.119 -3.091 7.435 1.00 1.17 H new ATOM 0 HA LEU A 108 3.796 -3.937 7.897 1.00 1.15 H new ATOM 0 HB2 LEU A 108 2.601 -2.258 6.208 1.00 1.22 H new ATOM 0 HB3 LEU A 108 2.825 -1.087 7.492 1.00 1.22 H new ATOM 0 HG LEU A 108 5.298 -1.785 7.493 1.00 0.67 H new ATOM 0 HD11 LEU A 108 6.148 -2.658 5.327 1.00 1.47 H new ATOM 0 HD12 LEU A 108 5.072 -3.830 6.123 1.00 1.47 H new ATOM 0 HD13 LEU A 108 4.474 -2.857 4.759 1.00 1.47 H new ATOM 0 HD21 LEU A 108 5.765 -0.286 5.529 1.00 0.72 H new ATOM 0 HD22 LEU A 108 4.079 -0.488 4.997 1.00 0.72 H new ATOM 0 HD23 LEU A 108 4.435 0.353 6.525 1.00 0.72 H new ATOM 1590 N SER A 109 2.554 -1.910 10.180 1.00 0.99 N ATOM 1591 CA SER A 109 2.668 -1.551 11.600 1.00 0.99 C ATOM 1592 C SER A 109 2.407 -2.724 12.563 1.00 1.07 C ATOM 1593 O SER A 109 2.889 -2.714 13.693 1.00 1.14 O ATOM 1594 CB SER A 109 1.783 -0.347 11.925 1.00 0.97 C ATOM 1595 OG SER A 109 0.431 -0.606 11.616 1.00 2.17 O ATOM 0 H SER A 109 1.713 -1.544 9.733 1.00 0.99 H new ATOM 0 HA SER A 109 3.710 -1.275 11.762 1.00 0.99 H new ATOM 0 HB2 SER A 109 1.876 -0.100 12.983 1.00 0.97 H new ATOM 0 HB3 SER A 109 2.127 0.522 11.363 1.00 0.97 H new ATOM 0 HG SER A 109 0.289 -0.497 10.652 1.00 2.17 H new ATOM 1601 N GLN A 110 1.700 -3.776 12.133 1.00 1.12 N ATOM 1602 CA GLN A 110 1.487 -4.990 12.931 1.00 1.24 C ATOM 1603 C GLN A 110 2.777 -5.816 13.080 1.00 1.27 C ATOM 1604 O GLN A 110 3.063 -6.331 14.164 1.00 1.41 O ATOM 1605 CB GLN A 110 0.360 -5.824 12.301 1.00 1.33 C ATOM 1606 CG GLN A 110 -0.276 -6.792 13.299 1.00 1.43 C ATOM 1607 CD GLN A 110 -1.311 -6.078 14.153 1.00 1.75 C ATOM 1608 OE1 GLN A 110 -1.084 -5.706 15.300 1.00 1.89 O ATOM 1609 NE2 GLN A 110 -2.450 -5.786 13.574 1.00 2.04 N ATOM 0 H GLN A 110 1.256 -3.809 11.215 1.00 1.12 H new ATOM 0 HA GLN A 110 1.193 -4.693 13.938 1.00 1.24 H new ATOM 0 HB2 GLN A 110 -0.406 -5.156 11.908 1.00 1.33 H new ATOM 0 HB3 GLN A 110 0.757 -6.386 11.456 1.00 1.33 H new ATOM 0 HG2 GLN A 110 -0.745 -7.618 12.764 1.00 1.43 H new ATOM 0 HG3 GLN A 110 0.495 -7.223 13.937 1.00 1.43 H new ATOM 0 HE21 GLN A 110 -2.632 -6.098 12.620 1.00 2.04 H new ATOM 0 HE22 GLN A 110 -3.154 -5.246 14.077 1.00 2.04 H new ATOM 1618 N ILE A 111 3.580 -5.884 12.013 1.00 1.19 N ATOM 1619 CA ILE A 111 4.899 -6.542 11.992 1.00 1.20 C ATOM 1620 C ILE A 111 5.840 -5.907 13.026 1.00 1.15 C ATOM 1621 O ILE A 111 6.361 -6.618 13.886 1.00 1.22 O ATOM 1622 CB ILE A 111 5.493 -6.526 10.559 1.00 1.20 C ATOM 1623 CG1 ILE A 111 4.670 -7.453 9.630 1.00 1.31 C ATOM 1624 CG2 ILE A 111 6.972 -6.965 10.547 1.00 1.23 C ATOM 1625 CD1 ILE A 111 4.928 -7.223 8.134 1.00 1.35 C ATOM 0 H ILE A 111 3.328 -5.473 11.114 1.00 1.19 H new ATOM 0 HA ILE A 111 4.778 -7.587 12.276 1.00 1.20 H new ATOM 0 HB ILE A 111 5.442 -5.500 10.196 1.00 1.20 H new ATOM 0 HG12 ILE A 111 4.899 -8.491 9.873 1.00 1.31 H new ATOM 0 HG13 ILE A 111 3.609 -7.305 9.833 1.00 1.31 H new ATOM 0 HG21 ILE A 111 7.351 -6.940 9.525 1.00 1.23 H new ATOM 0 HG22 ILE A 111 7.558 -6.287 11.168 1.00 1.23 H new ATOM 0 HG23 ILE A 111 7.054 -7.978 10.940 1.00 1.23 H new ATOM 0 HD11 ILE A 111 4.315 -7.909 7.549 1.00 1.35 H new ATOM 0 HD12 ILE A 111 4.671 -6.196 7.874 1.00 1.35 H new ATOM 0 HD13 ILE A 111 5.981 -7.400 7.915 1.00 1.35 H new ATOM 1637 N VAL A 112 6.017 -4.575 13.023 1.00 1.08 N ATOM 1638 CA VAL A 112 6.904 -3.924 14.014 1.00 1.09 C ATOM 1639 C VAL A 112 6.389 -4.046 15.443 1.00 1.25 C ATOM 1640 O VAL A 112 7.203 -4.147 16.356 1.00 1.39 O ATOM 1641 CB VAL A 112 7.230 -2.449 13.712 1.00 1.04 C ATOM 1642 CG1 VAL A 112 7.878 -2.311 12.337 1.00 0.99 C ATOM 1643 CG2 VAL A 112 6.021 -1.514 13.771 1.00 1.07 C ATOM 0 H VAL A 112 5.571 -3.937 12.364 1.00 1.08 H new ATOM 0 HA VAL A 112 7.834 -4.485 13.921 1.00 1.09 H new ATOM 0 HB VAL A 112 7.916 -2.145 14.503 1.00 1.04 H new ATOM 0 HG11 VAL A 112 8.100 -1.262 12.143 1.00 0.99 H new ATOM 0 HG12 VAL A 112 8.802 -2.889 12.311 1.00 0.99 H new ATOM 0 HG13 VAL A 112 7.195 -2.684 11.574 1.00 0.99 H new ATOM 0 HG21 VAL A 112 6.337 -0.495 13.546 1.00 1.07 H new ATOM 0 HG22 VAL A 112 5.278 -1.833 13.040 1.00 1.07 H new ATOM 0 HG23 VAL A 112 5.584 -1.546 14.769 1.00 1.07 H new