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 -96:sc= 1.99 USER MOD Set 1.2: A 109 SER OG : rot 90:sc= 0.784 USER MOD Set 2.1: A 62 SER OG : rot 19:sc= 0.902 USER MOD Set 2.2: A 90 ASN : amide:sc= 0.328 K(o=1.2,f=-4!) USER MOD Set 3.1: A 16 THR OG1 : rot 180:sc= 0.0521 USER MOD Set 3.2: A 31 GLN : amide:sc= 0.0486 X(o=0.1,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 X(o=0,f=-0.39) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot -160: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+ -173:sc= 0.6 (180deg=0.542) 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 -151:sc= 1.08 USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 179:sc= 2.28 (180deg=2.22) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 120:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot -77:sc= 1.23 USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 ASN : amide:sc= -0.0845 X(o=-0.085,f=-0.093) USER MOD Single : A 94 SER OG : rot 38:sc= 1.27 USER MOD Single : A 98 CYS SG : rot -35:sc= 0.577 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 HIS : no HE2:sc= 0.189 K(o=0.19,f=-2.3!) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc=-0.00651 X(o=-0.0065,f=-0.0065) USER MOD ----------------------------------------------------------------- ATOM 27 N ALA A 3 16.758 -1.348 9.954 1.00 1.93 N ATOM 28 CA ALA A 3 15.799 -2.311 9.421 1.00 1.47 C ATOM 29 C ALA A 3 14.443 -2.307 10.163 1.00 1.07 C ATOM 30 O ALA A 3 13.407 -2.471 9.515 1.00 0.90 O ATOM 31 CB ALA A 3 16.478 -3.687 9.437 1.00 1.94 C ATOM 0 HA ALA A 3 15.534 -2.032 8.401 1.00 1.47 H new ATOM 0 HB1 ALA A 3 15.791 -4.436 9.045 1.00 1.94 H new ATOM 0 HB2 ALA A 3 17.375 -3.657 8.818 1.00 1.94 H new ATOM 0 HB3 ALA A 3 16.752 -3.946 10.460 1.00 1.94 H new ATOM 37 N LEU A 4 14.425 -2.066 11.484 1.00 1.19 N ATOM 38 CA LEU A 4 13.202 -1.839 12.279 1.00 1.01 C ATOM 39 C LEU A 4 12.532 -0.485 11.986 1.00 0.92 C ATOM 40 O LEU A 4 11.302 -0.398 12.004 1.00 0.92 O ATOM 41 CB LEU A 4 13.549 -1.961 13.781 1.00 1.17 C ATOM 42 CG LEU A 4 12.396 -1.707 14.773 1.00 1.27 C ATOM 43 CD1 LEU A 4 11.287 -2.732 14.611 1.00 1.44 C ATOM 44 CD2 LEU A 4 12.892 -1.810 16.213 1.00 1.47 C ATOM 0 H LEU A 4 15.277 -2.022 12.043 1.00 1.19 H new ATOM 0 HA LEU A 4 12.476 -2.600 11.994 1.00 1.01 H new ATOM 0 HB2 LEU A 4 13.941 -2.962 13.961 1.00 1.17 H new ATOM 0 HB3 LEU A 4 14.353 -1.259 14.004 1.00 1.17 H new ATOM 0 HG LEU A 4 12.018 -0.707 14.560 1.00 1.27 H new ATOM 0 HD11 LEU A 4 10.491 -2.523 15.326 1.00 1.44 H new ATOM 0 HD12 LEU A 4 10.888 -2.680 13.598 1.00 1.44 H new ATOM 0 HD13 LEU A 4 11.685 -3.730 14.793 1.00 1.44 H new ATOM 0 HD21 LEU A 4 12.063 -1.628 16.897 1.00 1.47 H new ATOM 0 HD22 LEU A 4 13.295 -2.808 16.389 1.00 1.47 H new ATOM 0 HD23 LEU A 4 13.673 -1.069 16.383 1.00 1.47 H new ATOM 56 N ALA A 5 13.297 0.572 11.692 1.00 1.05 N ATOM 57 CA ALA A 5 12.732 1.862 11.292 1.00 1.11 C ATOM 58 C ALA A 5 12.122 1.799 9.883 1.00 0.98 C ATOM 59 O ALA A 5 11.129 2.487 9.613 1.00 1.05 O ATOM 60 CB ALA A 5 13.831 2.931 11.370 1.00 1.46 C ATOM 0 H ALA A 5 14.316 0.557 11.725 1.00 1.05 H new ATOM 0 HA ALA A 5 11.922 2.122 11.973 1.00 1.11 H new ATOM 0 HB1 ALA A 5 13.421 3.897 11.074 1.00 1.46 H new ATOM 0 HB2 ALA A 5 14.206 2.994 12.392 1.00 1.46 H new ATOM 0 HB3 ALA A 5 14.648 2.663 10.700 1.00 1.46 H new ATOM 66 N LYS A 6 12.691 0.967 8.992 1.00 0.90 N ATOM 67 CA LYS A 6 12.372 0.922 7.561 1.00 0.87 C ATOM 68 C LYS A 6 10.888 0.724 7.279 1.00 0.88 C ATOM 69 O LYS A 6 10.369 1.374 6.387 1.00 0.90 O ATOM 70 CB LYS A 6 13.236 -0.167 6.895 1.00 0.92 C ATOM 71 CG LYS A 6 13.425 0.066 5.387 1.00 1.01 C ATOM 72 CD LYS A 6 14.448 -0.919 4.802 1.00 1.28 C ATOM 73 CE LYS A 6 14.931 -0.441 3.429 1.00 1.69 C ATOM 74 NZ LYS A 6 15.956 -1.345 2.863 1.00 2.04 N ATOM 0 H LYS A 6 13.405 0.290 9.259 1.00 0.90 H new ATOM 0 HA LYS A 6 12.609 1.894 7.129 1.00 0.87 H new ATOM 0 HB2 LYS A 6 14.212 -0.197 7.379 1.00 0.92 H new ATOM 0 HB3 LYS A 6 12.772 -1.140 7.053 1.00 0.92 H new ATOM 0 HG2 LYS A 6 12.470 -0.049 4.875 1.00 1.01 H new ATOM 0 HG3 LYS A 6 13.759 1.089 5.212 1.00 1.01 H new ATOM 0 HD2 LYS A 6 15.297 -1.015 5.479 1.00 1.28 H new ATOM 0 HD3 LYS A 6 13.999 -1.908 4.712 1.00 1.28 H new ATOM 0 HE2 LYS A 6 14.083 -0.380 2.746 1.00 1.69 H new ATOM 0 HE3 LYS A 6 15.342 0.565 3.518 1.00 1.69 H new ATOM 0 HZ1 LYS A 6 16.258 -0.989 1.934 1.00 2.04 H new ATOM 0 HZ2 LYS A 6 16.776 -1.384 3.502 1.00 2.04 H new ATOM 0 HZ3 LYS A 6 15.556 -2.299 2.755 1.00 2.04 H new ATOM 88 N LEU A 7 10.183 -0.092 8.066 1.00 0.93 N ATOM 89 CA LEU A 7 8.752 -0.391 7.884 1.00 0.97 C ATOM 90 C LEU A 7 7.869 0.875 7.946 1.00 1.07 C ATOM 91 O LEU A 7 7.007 1.062 7.093 1.00 1.18 O ATOM 92 CB LEU A 7 8.322 -1.430 8.939 1.00 0.96 C ATOM 93 CG LEU A 7 8.695 -2.910 8.691 1.00 0.85 C ATOM 94 CD1 LEU A 7 7.933 -3.506 7.507 1.00 0.85 C ATOM 95 CD2 LEU A 7 10.185 -3.153 8.459 1.00 0.96 C ATOM 0 H LEU A 7 10.595 -0.575 8.864 1.00 0.93 H new ATOM 0 HA LEU A 7 8.610 -0.802 6.885 1.00 0.97 H new ATOM 0 HB2 LEU A 7 8.752 -1.133 9.896 1.00 0.96 H new ATOM 0 HB3 LEU A 7 7.239 -1.371 9.044 1.00 0.96 H new ATOM 0 HG LEU A 7 8.409 -3.405 9.619 1.00 0.85 H new ATOM 0 HD11 LEU A 7 8.228 -4.547 7.371 1.00 0.85 H new ATOM 0 HD12 LEU A 7 6.862 -3.455 7.701 1.00 0.85 H new ATOM 0 HD13 LEU A 7 8.166 -2.942 6.604 1.00 0.85 H new ATOM 0 HD21 LEU A 7 10.359 -4.216 8.293 1.00 0.96 H new ATOM 0 HD22 LEU A 7 10.513 -2.591 7.585 1.00 0.96 H new ATOM 0 HD23 LEU A 7 10.748 -2.825 9.333 1.00 0.96 H new ATOM 107 N ILE A 8 8.108 1.779 8.899 1.00 1.13 N ATOM 108 CA ILE A 8 7.379 3.061 8.983 1.00 1.27 C ATOM 109 C ILE A 8 7.802 4.046 7.876 1.00 1.18 C ATOM 110 O ILE A 8 6.979 4.808 7.363 1.00 1.20 O ATOM 111 CB ILE A 8 7.517 3.654 10.403 1.00 1.47 C ATOM 112 CG1 ILE A 8 6.895 2.733 11.481 1.00 1.65 C ATOM 113 CG2 ILE A 8 6.927 5.072 10.495 1.00 1.60 C ATOM 114 CD1 ILE A 8 5.390 2.450 11.351 1.00 1.80 C ATOM 0 H ILE A 8 8.805 1.651 9.632 1.00 1.13 H new ATOM 0 HA ILE A 8 6.321 2.870 8.805 1.00 1.27 H new ATOM 0 HB ILE A 8 8.586 3.724 10.602 1.00 1.47 H new ATOM 0 HG12 ILE A 8 7.425 1.780 11.464 1.00 1.65 H new ATOM 0 HG13 ILE A 8 7.076 3.180 12.458 1.00 1.65 H new ATOM 0 HG21 ILE A 8 7.046 5.450 11.510 1.00 1.60 H new ATOM 0 HG22 ILE A 8 7.449 5.729 9.800 1.00 1.60 H new ATOM 0 HG23 ILE A 8 5.868 5.043 10.240 1.00 1.60 H new ATOM 0 HD11 ILE A 8 5.072 1.795 12.162 1.00 1.80 H new ATOM 0 HD12 ILE A 8 4.837 3.388 11.404 1.00 1.80 H new ATOM 0 HD13 ILE A 8 5.192 1.966 10.394 1.00 1.80 H new ATOM 126 N SER A 9 9.073 4.013 7.463 1.00 1.12 N ATOM 127 CA SER A 9 9.592 4.838 6.361 1.00 1.09 C ATOM 128 C SER A 9 9.210 4.304 4.963 1.00 0.91 C ATOM 129 O SER A 9 9.308 5.032 3.975 1.00 0.92 O ATOM 130 CB SER A 9 11.112 4.964 6.493 1.00 1.21 C ATOM 131 OG SER A 9 11.484 5.608 7.708 1.00 1.57 O ATOM 0 H SER A 9 9.778 3.409 7.886 1.00 1.12 H new ATOM 0 HA SER A 9 9.124 5.819 6.444 1.00 1.09 H new ATOM 0 HB2 SER A 9 11.564 3.973 6.453 1.00 1.21 H new ATOM 0 HB3 SER A 9 11.505 5.528 5.647 1.00 1.21 H new ATOM 0 HG SER A 9 12.461 5.670 7.760 1.00 1.57 H new ATOM 137 N LEU A 10 8.794 3.035 4.868 1.00 0.90 N ATOM 138 CA LEU A 10 8.341 2.329 3.664 1.00 0.94 C ATOM 139 C LEU A 10 6.968 2.801 3.183 1.00 1.11 C ATOM 140 O LEU A 10 6.785 3.003 1.982 1.00 1.24 O ATOM 141 CB LEU A 10 8.325 0.813 3.961 1.00 1.01 C ATOM 142 CG LEU A 10 9.544 0.075 3.391 1.00 1.13 C ATOM 143 CD1 LEU A 10 9.783 -1.237 4.132 1.00 1.77 C ATOM 144 CD2 LEU A 10 9.297 -0.282 1.928 1.00 1.19 C ATOM 0 H LEU A 10 8.763 2.432 5.690 1.00 0.90 H new ATOM 0 HA LEU A 10 9.036 2.551 2.854 1.00 0.94 H new ATOM 0 HB2 LEU A 10 8.287 0.661 5.040 1.00 1.01 H new ATOM 0 HB3 LEU A 10 7.417 0.377 3.545 1.00 1.01 H new ATOM 0 HG LEU A 10 10.405 0.735 3.500 1.00 1.13 H new ATOM 0 HD11 LEU A 10 10.652 -1.741 3.709 1.00 1.77 H new ATOM 0 HD12 LEU A 10 9.961 -1.032 5.188 1.00 1.77 H new ATOM 0 HD13 LEU A 10 8.907 -1.878 4.030 1.00 1.77 H new ATOM 0 HD21 LEU A 10 10.166 -0.806 1.530 1.00 1.19 H new ATOM 0 HD22 LEU A 10 8.420 -0.925 1.853 1.00 1.19 H new ATOM 0 HD23 LEU A 10 9.128 0.629 1.355 1.00 1.19 H new ATOM 156 N GLN A 11 6.018 2.989 4.104 1.00 1.32 N ATOM 157 CA GLN A 11 4.690 3.536 3.802 1.00 1.50 C ATOM 158 C GLN A 11 4.807 4.822 2.973 1.00 1.56 C ATOM 159 O GLN A 11 5.604 5.697 3.301 1.00 1.51 O ATOM 160 CB GLN A 11 3.938 3.845 5.101 1.00 1.58 C ATOM 161 CG GLN A 11 3.529 2.592 5.882 1.00 1.46 C ATOM 162 CD GLN A 11 2.861 3.001 7.184 1.00 1.62 C ATOM 163 OE1 GLN A 11 3.510 3.322 8.166 1.00 1.87 O ATOM 164 NE2 GLN A 11 1.552 3.099 7.216 1.00 3.01 N ATOM 0 H GLN A 11 6.150 2.764 5.090 1.00 1.32 H new ATOM 0 HA GLN A 11 4.141 2.790 3.228 1.00 1.50 H new ATOM 0 HB2 GLN A 11 4.566 4.470 5.735 1.00 1.58 H new ATOM 0 HB3 GLN A 11 3.045 4.425 4.866 1.00 1.58 H new ATOM 0 HG2 GLN A 11 2.847 1.986 5.286 1.00 1.46 H new ATOM 0 HG3 GLN A 11 4.405 1.977 6.088 1.00 1.46 H new ATOM 0 HE21 GLN A 11 1.001 2.833 6.400 1.00 3.01 H new ATOM 0 HE22 GLN A 11 1.087 3.441 8.057 1.00 3.01 H new ATOM 173 N ALA A 12 3.997 4.952 1.918 1.00 1.77 N ATOM 174 CA ALA A 12 4.101 6.049 0.946 1.00 1.92 C ATOM 175 C ALA A 12 3.863 7.464 1.527 1.00 2.05 C ATOM 176 O ALA A 12 4.164 8.461 0.871 1.00 3.66 O ATOM 177 CB ALA A 12 3.110 5.749 -0.180 1.00 1.93 C ATOM 0 H ALA A 12 3.245 4.295 1.711 1.00 1.77 H new ATOM 0 HA ALA A 12 5.131 6.083 0.591 1.00 1.92 H new ATOM 0 HB1 ALA A 12 3.156 6.543 -0.926 1.00 1.93 H new ATOM 0 HB2 ALA A 12 3.366 4.798 -0.646 1.00 1.93 H new ATOM 0 HB3 ALA A 12 2.101 5.693 0.229 1.00 1.93 H new ATOM 183 N THR A 13 3.308 7.549 2.743 1.00 1.80 N ATOM 184 CA THR A 13 3.088 8.760 3.570 1.00 1.80 C ATOM 185 C THR A 13 2.028 9.728 3.033 1.00 1.46 C ATOM 186 O THR A 13 1.368 10.399 3.822 1.00 1.50 O ATOM 187 CB THR A 13 4.408 9.479 3.903 1.00 2.18 C ATOM 188 OG1 THR A 13 5.357 8.531 4.356 1.00 3.01 O ATOM 189 CG2 THR A 13 4.286 10.484 5.048 1.00 2.15 C ATOM 0 H THR A 13 2.972 6.711 3.218 1.00 1.80 H new ATOM 0 HA THR A 13 2.665 8.381 4.500 1.00 1.80 H new ATOM 0 HB THR A 13 4.695 9.994 2.986 1.00 2.18 H new ATOM 0 HG1 THR A 13 6.199 8.986 4.567 1.00 3.01 H new ATOM 0 HG21 THR A 13 5.254 10.951 5.227 1.00 2.15 H new ATOM 0 HG22 THR A 13 3.557 11.250 4.784 1.00 2.15 H new ATOM 0 HG23 THR A 13 3.960 9.969 5.951 1.00 2.15 H new ATOM 197 N GLU A 14 1.764 9.723 1.727 1.00 1.25 N ATOM 198 CA GLU A 14 0.639 10.412 1.091 1.00 1.11 C ATOM 199 C GLU A 14 -0.202 9.443 0.246 1.00 0.99 C ATOM 200 O GLU A 14 0.320 8.440 -0.253 1.00 1.00 O ATOM 201 CB GLU A 14 1.131 11.648 0.315 1.00 1.19 C ATOM 202 CG GLU A 14 1.611 11.395 -1.125 1.00 1.20 C ATOM 203 CD GLU A 14 1.906 12.710 -1.865 1.00 1.84 C ATOM 204 OE1 GLU A 14 0.948 13.364 -2.349 1.00 3.26 O ATOM 205 OE2 GLU A 14 3.088 13.126 -1.971 1.00 2.48 O ATOM 0 H GLU A 14 2.348 9.221 1.058 1.00 1.25 H new ATOM 0 HA GLU A 14 -0.034 10.784 1.863 1.00 1.11 H new ATOM 0 HB2 GLU A 14 0.322 12.378 0.284 1.00 1.19 H new ATOM 0 HB3 GLU A 14 1.949 12.102 0.875 1.00 1.19 H new ATOM 0 HG2 GLU A 14 2.510 10.779 -1.106 1.00 1.20 H new ATOM 0 HG3 GLU A 14 0.851 10.834 -1.669 1.00 1.20 H new ATOM 212 N ALA A 15 -1.492 9.738 0.069 1.00 0.94 N ATOM 213 CA ALA A 15 -2.447 8.900 -0.660 1.00 0.92 C ATOM 214 C ALA A 15 -3.404 9.741 -1.527 1.00 0.90 C ATOM 215 O ALA A 15 -3.718 10.883 -1.180 1.00 1.02 O ATOM 216 CB ALA A 15 -3.222 8.049 0.355 1.00 0.93 C ATOM 0 H ALA A 15 -1.913 10.590 0.439 1.00 0.94 H new ATOM 0 HA ALA A 15 -1.902 8.252 -1.346 1.00 0.92 H new ATOM 0 HB1 ALA A 15 -3.939 7.418 -0.171 1.00 0.93 H new ATOM 0 HB2 ALA A 15 -2.525 7.421 0.911 1.00 0.93 H new ATOM 0 HB3 ALA A 15 -3.753 8.702 1.047 1.00 0.93 H new ATOM 222 N THR A 16 -3.885 9.157 -2.628 1.00 0.82 N ATOM 223 CA THR A 16 -4.759 9.827 -3.610 1.00 0.75 C ATOM 224 C THR A 16 -6.182 9.251 -3.596 1.00 0.61 C ATOM 225 O THR A 16 -6.423 8.162 -4.116 1.00 0.60 O ATOM 226 CB THR A 16 -4.131 9.776 -5.011 1.00 0.89 C ATOM 227 OG1 THR A 16 -2.852 10.380 -4.985 1.00 1.07 O ATOM 228 CG2 THR A 16 -4.949 10.536 -6.057 1.00 0.90 C ATOM 0 H THR A 16 -3.678 8.188 -2.871 1.00 0.82 H new ATOM 0 HA THR A 16 -4.849 10.874 -3.322 1.00 0.75 H new ATOM 0 HB THR A 16 -4.088 8.721 -5.283 1.00 0.89 H new ATOM 0 HG1 THR A 16 -2.455 10.344 -5.880 1.00 1.07 H new ATOM 0 HG21 THR A 16 -4.456 10.465 -7.027 1.00 0.90 H new ATOM 0 HG22 THR A 16 -5.947 10.102 -6.124 1.00 0.90 H new ATOM 0 HG23 THR A 16 -5.028 11.584 -5.766 1.00 0.90 H new ATOM 236 N ILE A 17 -7.136 9.976 -3.001 1.00 0.59 N ATOM 237 CA ILE A 17 -8.530 9.544 -2.771 1.00 0.65 C ATOM 238 C ILE A 17 -9.430 9.958 -3.945 1.00 0.73 C ATOM 239 O ILE A 17 -9.401 11.111 -4.367 1.00 0.82 O ATOM 240 CB ILE A 17 -9.082 10.115 -1.432 1.00 0.82 C ATOM 241 CG1 ILE A 17 -8.143 9.830 -0.234 1.00 0.85 C ATOM 242 CG2 ILE A 17 -10.493 9.549 -1.170 1.00 0.94 C ATOM 243 CD1 ILE A 17 -8.660 10.324 1.125 1.00 1.04 C ATOM 0 H ILE A 17 -6.957 10.917 -2.651 1.00 0.59 H new ATOM 0 HA ILE A 17 -8.534 8.456 -2.701 1.00 0.65 H new ATOM 0 HB ILE A 17 -9.137 11.199 -1.530 1.00 0.82 H new ATOM 0 HG12 ILE A 17 -7.973 8.755 -0.173 1.00 0.85 H new ATOM 0 HG13 ILE A 17 -7.177 10.295 -0.430 1.00 0.85 H new ATOM 0 HG21 ILE A 17 -10.878 9.950 -0.232 1.00 0.94 H new ATOM 0 HG22 ILE A 17 -11.157 9.834 -1.986 1.00 0.94 H new ATOM 0 HG23 ILE A 17 -10.443 8.462 -1.106 1.00 0.94 H new ATOM 0 HD11 ILE A 17 -7.935 10.079 1.901 1.00 1.04 H new ATOM 0 HD12 ILE A 17 -8.802 11.404 1.089 1.00 1.04 H new ATOM 0 HD13 ILE A 17 -9.610 9.840 1.351 1.00 1.04 H new ATOM 255 N VAL A 18 -10.295 9.070 -4.444 1.00 0.77 N ATOM 256 CA VAL A 18 -11.345 9.434 -5.416 1.00 1.01 C ATOM 257 C VAL A 18 -12.617 9.897 -4.686 1.00 1.58 C ATOM 258 O VAL A 18 -13.119 9.203 -3.795 1.00 1.99 O ATOM 259 CB VAL A 18 -11.655 8.268 -6.372 1.00 1.49 C ATOM 260 CG1 VAL A 18 -12.676 8.653 -7.453 1.00 2.54 C ATOM 261 CG2 VAL A 18 -10.405 7.714 -7.062 1.00 1.45 C ATOM 0 H VAL A 18 -10.292 8.082 -4.191 1.00 0.77 H new ATOM 0 HA VAL A 18 -10.971 10.262 -6.019 1.00 1.01 H new ATOM 0 HB VAL A 18 -12.078 7.493 -5.733 1.00 1.49 H new ATOM 0 HG11 VAL A 18 -12.860 7.796 -8.101 1.00 2.54 H new ATOM 0 HG12 VAL A 18 -13.610 8.957 -6.980 1.00 2.54 H new ATOM 0 HG13 VAL A 18 -12.284 9.479 -8.046 1.00 2.54 H new ATOM 0 HG21 VAL A 18 -10.687 6.895 -7.723 1.00 1.45 H new ATOM 0 HG22 VAL A 18 -9.931 8.504 -7.645 1.00 1.45 H new ATOM 0 HG23 VAL A 18 -9.706 7.349 -6.310 1.00 1.45 H new ATOM 271 N THR A 19 -13.154 11.051 -5.090 1.00 1.70 N ATOM 272 CA THR A 19 -14.382 11.669 -4.546 1.00 2.26 C ATOM 273 C THR A 19 -15.385 11.965 -5.664 1.00 2.36 C ATOM 274 O THR A 19 -14.997 12.170 -6.815 1.00 1.86 O ATOM 275 CB THR A 19 -14.064 12.973 -3.787 1.00 2.50 C ATOM 276 OG1 THR A 19 -12.890 12.826 -3.023 1.00 2.60 O ATOM 277 CG2 THR A 19 -15.164 13.389 -2.811 1.00 3.18 C ATOM 0 H THR A 19 -12.734 11.608 -5.834 1.00 1.70 H new ATOM 0 HA THR A 19 -14.821 10.955 -3.849 1.00 2.26 H new ATOM 0 HB THR A 19 -13.960 13.734 -4.560 1.00 2.50 H new ATOM 0 HG1 THR A 19 -12.868 13.510 -2.322 1.00 2.60 H new ATOM 0 HG21 THR A 19 -14.876 14.314 -2.311 1.00 3.18 H new ATOM 0 HG22 THR A 19 -16.094 13.546 -3.357 1.00 3.18 H new ATOM 0 HG23 THR A 19 -15.307 12.604 -2.068 1.00 3.18 H new ATOM 391 N LEU A 27 -16.058 12.421 -11.328 1.00 1.89 N ATOM 392 CA LEU A 27 -14.864 12.114 -10.544 1.00 1.79 C ATOM 393 C LEU A 27 -14.050 13.380 -10.239 1.00 1.61 C ATOM 394 O LEU A 27 -13.739 14.178 -11.126 1.00 1.78 O ATOM 395 CB LEU A 27 -14.034 10.995 -11.198 1.00 1.95 C ATOM 396 CG LEU A 27 -14.498 9.583 -10.782 1.00 2.46 C ATOM 397 CD1 LEU A 27 -15.857 9.180 -11.364 1.00 2.72 C ATOM 398 CD2 LEU A 27 -13.459 8.556 -11.229 1.00 2.84 C ATOM 0 HA LEU A 27 -15.183 11.724 -9.577 1.00 1.79 H new ATOM 0 HB2 LEU A 27 -14.098 11.088 -12.282 1.00 1.95 H new ATOM 0 HB3 LEU A 27 -12.986 11.122 -10.928 1.00 1.95 H new ATOM 0 HG LEU A 27 -14.606 9.606 -9.698 1.00 2.46 H new ATOM 0 HD11 LEU A 27 -16.114 8.176 -11.027 1.00 2.72 H new ATOM 0 HD12 LEU A 27 -16.620 9.882 -11.027 1.00 2.72 H new ATOM 0 HD13 LEU A 27 -15.805 9.195 -12.453 1.00 2.72 H new ATOM 0 HD21 LEU A 27 -13.785 7.558 -10.936 1.00 2.84 H new ATOM 0 HD22 LEU A 27 -13.348 8.598 -12.313 1.00 2.84 H new ATOM 0 HD23 LEU A 27 -12.502 8.778 -10.758 1.00 2.84 H new ATOM 410 N SER A 28 -13.705 13.521 -8.961 1.00 1.49 N ATOM 411 CA SER A 28 -12.927 14.600 -8.352 1.00 1.46 C ATOM 412 C SER A 28 -11.904 13.955 -7.418 1.00 1.34 C ATOM 413 O SER A 28 -12.223 13.564 -6.295 1.00 1.89 O ATOM 414 CB SER A 28 -13.900 15.522 -7.607 1.00 1.63 C ATOM 415 OG SER A 28 -13.274 16.552 -6.862 1.00 1.95 O ATOM 0 H SER A 28 -13.985 12.827 -8.267 1.00 1.49 H new ATOM 0 HA SER A 28 -12.391 15.202 -9.086 1.00 1.46 H new ATOM 0 HB2 SER A 28 -14.579 15.974 -8.330 1.00 1.63 H new ATOM 0 HB3 SER A 28 -14.508 14.920 -6.932 1.00 1.63 H new ATOM 0 HG SER A 28 -13.957 17.097 -6.418 1.00 1.95 H new ATOM 421 N GLU A 29 -10.683 13.734 -7.903 1.00 0.85 N ATOM 422 CA GLU A 29 -9.643 13.047 -7.126 1.00 0.77 C ATOM 423 C GLU A 29 -8.837 14.060 -6.283 1.00 0.77 C ATOM 424 O GLU A 29 -8.634 15.214 -6.676 1.00 0.90 O ATOM 425 CB GLU A 29 -8.798 12.096 -8.004 1.00 1.11 C ATOM 426 CG GLU A 29 -9.646 11.207 -8.939 1.00 1.41 C ATOM 427 CD GLU A 29 -8.825 10.293 -9.867 1.00 2.31 C ATOM 428 OE1 GLU A 29 -7.628 10.552 -10.142 1.00 2.71 O ATOM 429 OE2 GLU A 29 -9.401 9.335 -10.440 1.00 3.66 O ATOM 0 H GLU A 29 -10.385 14.021 -8.835 1.00 0.85 H new ATOM 0 HA GLU A 29 -10.115 12.381 -6.404 1.00 0.77 H new ATOM 0 HB2 GLU A 29 -8.107 12.687 -8.605 1.00 1.11 H new ATOM 0 HB3 GLU A 29 -8.194 11.459 -7.358 1.00 1.11 H new ATOM 0 HG2 GLU A 29 -10.306 10.588 -8.331 1.00 1.41 H new ATOM 0 HG3 GLU A 29 -10.282 11.847 -9.550 1.00 1.41 H new ATOM 436 N GLU A 30 -8.424 13.624 -5.096 1.00 0.74 N ATOM 437 CA GLU A 30 -7.862 14.402 -3.985 1.00 0.79 C ATOM 438 C GLU A 30 -6.522 13.813 -3.513 1.00 0.77 C ATOM 439 O GLU A 30 -6.312 12.612 -3.652 1.00 0.79 O ATOM 440 CB GLU A 30 -8.837 14.311 -2.792 1.00 0.83 C ATOM 441 CG GLU A 30 -10.284 14.764 -3.037 1.00 0.95 C ATOM 442 CD GLU A 30 -10.435 16.276 -3.235 1.00 1.77 C ATOM 443 OE1 GLU A 30 -9.797 17.055 -2.484 1.00 2.93 O ATOM 444 OE2 GLU A 30 -11.233 16.714 -4.097 1.00 2.50 O ATOM 0 H GLU A 30 -8.477 12.633 -4.862 1.00 0.74 H new ATOM 0 HA GLU A 30 -7.711 15.426 -4.326 1.00 0.79 H new ATOM 0 HB2 GLU A 30 -8.859 13.276 -2.451 1.00 0.83 H new ATOM 0 HB3 GLU A 30 -8.429 14.907 -1.975 1.00 0.83 H new ATOM 0 HG2 GLU A 30 -10.671 14.251 -3.918 1.00 0.95 H new ATOM 0 HG3 GLU A 30 -10.899 14.455 -2.192 1.00 0.95 H new ATOM 451 N GLN A 31 -5.650 14.602 -2.874 1.00 0.99 N ATOM 452 CA GLN A 31 -4.446 14.103 -2.193 1.00 1.10 C ATOM 453 C GLN A 31 -4.420 14.456 -0.696 1.00 1.11 C ATOM 454 O GLN A 31 -4.832 15.549 -0.299 1.00 1.17 O ATOM 455 CB GLN A 31 -3.175 14.575 -2.914 1.00 1.33 C ATOM 456 CG GLN A 31 -3.081 14.008 -4.341 1.00 1.42 C ATOM 457 CD GLN A 31 -1.644 13.897 -4.783 1.00 1.74 C ATOM 458 OE1 GLN A 31 -1.010 14.811 -5.307 1.00 2.03 O ATOM 459 NE2 GLN A 31 -1.055 12.771 -4.477 1.00 1.98 N ATOM 0 H GLN A 31 -5.760 15.614 -2.814 1.00 0.99 H new ATOM 0 HA GLN A 31 -4.478 13.015 -2.243 1.00 1.10 H new ATOM 0 HB2 GLN A 31 -3.164 15.664 -2.955 1.00 1.33 H new ATOM 0 HB3 GLN A 31 -2.299 14.268 -2.343 1.00 1.33 H new ATOM 0 HG2 GLN A 31 -3.554 13.027 -4.378 1.00 1.42 H new ATOM 0 HG3 GLN A 31 -3.628 14.652 -5.029 1.00 1.42 H new ATOM 0 HE21 GLN A 31 -1.588 12.018 -4.043 1.00 1.98 H new ATOM 0 HE22 GLN A 31 -0.062 12.645 -4.673 1.00 1.98 H new ATOM 468 N VAL A 32 -3.962 13.509 0.132 1.00 1.12 N ATOM 469 CA VAL A 32 -3.908 13.617 1.605 1.00 1.22 C ATOM 470 C VAL A 32 -2.651 12.981 2.220 1.00 1.24 C ATOM 471 O VAL A 32 -1.964 12.194 1.568 1.00 1.15 O ATOM 472 CB VAL A 32 -5.160 12.987 2.261 1.00 1.31 C ATOM 473 CG1 VAL A 32 -6.480 13.549 1.719 1.00 1.36 C ATOM 474 CG2 VAL A 32 -5.222 11.459 2.136 1.00 1.29 C ATOM 0 H VAL A 32 -3.606 12.616 -0.210 1.00 1.12 H new ATOM 0 HA VAL A 32 -3.875 14.687 1.812 1.00 1.22 H new ATOM 0 HB VAL A 32 -5.047 13.259 3.311 1.00 1.31 H new ATOM 0 HG11 VAL A 32 -7.316 13.063 2.222 1.00 1.36 H new ATOM 0 HG12 VAL A 32 -6.521 14.623 1.902 1.00 1.36 H new ATOM 0 HG13 VAL A 32 -6.543 13.361 0.647 1.00 1.36 H new ATOM 0 HG21 VAL A 32 -6.127 11.091 2.619 1.00 1.29 H new ATOM 0 HG22 VAL A 32 -5.234 11.180 1.082 1.00 1.29 H new ATOM 0 HG23 VAL A 32 -4.349 11.019 2.617 1.00 1.29 H new ATOM 484 N ASP A 33 -2.388 13.280 3.494 1.00 1.38 N ATOM 485 CA ASP A 33 -1.407 12.572 4.337 1.00 1.44 C ATOM 486 C ASP A 33 -2.004 11.249 4.864 1.00 1.37 C ATOM 487 O ASP A 33 -3.205 11.154 5.128 1.00 1.36 O ATOM 488 CB ASP A 33 -0.937 13.476 5.491 1.00 1.62 C ATOM 489 CG ASP A 33 0.059 12.798 6.441 1.00 2.83 C ATOM 490 OD1 ASP A 33 1.288 12.817 6.200 1.00 3.51 O ATOM 491 OD2 ASP A 33 -0.368 12.251 7.484 1.00 3.96 O ATOM 0 H ASP A 33 -2.860 14.039 3.985 1.00 1.38 H new ATOM 0 HA ASP A 33 -0.535 12.326 3.731 1.00 1.44 H new ATOM 0 HB2 ASP A 33 -0.476 14.371 5.074 1.00 1.62 H new ATOM 0 HB3 ASP A 33 -1.806 13.802 6.062 1.00 1.62 H new ATOM 496 N VAL A 34 -1.172 10.220 5.049 1.00 1.36 N ATOM 497 CA VAL A 34 -1.608 8.871 5.468 1.00 1.30 C ATOM 498 C VAL A 34 -2.268 8.817 6.862 1.00 1.41 C ATOM 499 O VAL A 34 -2.935 7.832 7.185 1.00 1.49 O ATOM 500 CB VAL A 34 -0.456 7.854 5.303 1.00 1.32 C ATOM 501 CG1 VAL A 34 0.631 8.009 6.373 1.00 1.57 C ATOM 502 CG2 VAL A 34 -0.939 6.396 5.262 1.00 1.26 C ATOM 0 H VAL A 34 -0.164 10.294 4.912 1.00 1.36 H new ATOM 0 HA VAL A 34 -2.414 8.582 4.793 1.00 1.30 H new ATOM 0 HB VAL A 34 -0.019 8.091 4.333 1.00 1.32 H new ATOM 0 HG11 VAL A 34 1.414 7.269 6.207 1.00 1.57 H new ATOM 0 HG12 VAL A 34 1.059 9.010 6.314 1.00 1.57 H new ATOM 0 HG13 VAL A 34 0.194 7.859 7.360 1.00 1.57 H new ATOM 0 HG21 VAL A 34 -0.082 5.732 5.145 1.00 1.26 H new ATOM 0 HG22 VAL A 34 -1.458 6.158 6.191 1.00 1.26 H new ATOM 0 HG23 VAL A 34 -1.620 6.262 4.421 1.00 1.26 H new ATOM 512 N GLU A 35 -2.174 9.866 7.689 1.00 1.49 N ATOM 513 CA GLU A 35 -2.941 9.953 8.947 1.00 1.63 C ATOM 514 C GLU A 35 -4.389 10.468 8.755 1.00 1.62 C ATOM 515 O GLU A 35 -5.216 10.345 9.664 1.00 1.74 O ATOM 516 CB GLU A 35 -2.164 10.801 9.975 1.00 1.95 C ATOM 517 CG GLU A 35 -2.176 10.203 11.389 1.00 2.57 C ATOM 518 CD GLU A 35 -1.329 8.925 11.473 1.00 3.91 C ATOM 519 OE1 GLU A 35 -0.077 9.010 11.512 1.00 4.76 O ATOM 520 OE2 GLU A 35 -1.915 7.814 11.485 1.00 5.01 O ATOM 0 H GLU A 35 -1.573 10.671 7.512 1.00 1.49 H new ATOM 0 HA GLU A 35 -3.050 8.938 9.329 1.00 1.63 H new ATOM 0 HB2 GLU A 35 -1.132 10.907 9.642 1.00 1.95 H new ATOM 0 HB3 GLU A 35 -2.593 11.802 10.008 1.00 1.95 H new ATOM 0 HG2 GLU A 35 -1.796 10.938 12.098 1.00 2.57 H new ATOM 0 HG3 GLU A 35 -3.202 9.979 11.681 1.00 2.57 H new ATOM 527 N LEU A 36 -4.716 11.016 7.574 1.00 1.53 N ATOM 528 CA LEU A 36 -5.986 11.689 7.250 1.00 1.56 C ATOM 529 C LEU A 36 -6.950 10.845 6.394 1.00 1.41 C ATOM 530 O LEU A 36 -8.111 11.223 6.227 1.00 1.50 O ATOM 531 CB LEU A 36 -5.678 13.021 6.533 1.00 1.64 C ATOM 532 CG LEU A 36 -4.681 13.965 7.230 1.00 1.79 C ATOM 533 CD1 LEU A 36 -4.503 15.229 6.386 1.00 1.86 C ATOM 534 CD2 LEU A 36 -5.142 14.379 8.626 1.00 1.95 C ATOM 0 H LEU A 36 -4.073 11.002 6.782 1.00 1.53 H new ATOM 0 HA LEU A 36 -6.501 11.856 8.196 1.00 1.56 H new ATOM 0 HB2 LEU A 36 -5.293 12.792 5.540 1.00 1.64 H new ATOM 0 HB3 LEU A 36 -6.616 13.558 6.395 1.00 1.64 H new ATOM 0 HG LEU A 36 -3.743 13.420 7.332 1.00 1.79 H new ATOM 0 HD11 LEU A 36 -3.797 15.899 6.878 1.00 1.86 H new ATOM 0 HD12 LEU A 36 -4.121 14.958 5.402 1.00 1.86 H new ATOM 0 HD13 LEU A 36 -5.464 15.732 6.276 1.00 1.86 H new ATOM 0 HD21 LEU A 36 -4.402 15.044 9.071 1.00 1.95 H new ATOM 0 HD22 LEU A 36 -6.099 14.897 8.555 1.00 1.95 H new ATOM 0 HD23 LEU A 36 -5.255 13.492 9.250 1.00 1.95 H new ATOM 546 N VAL A 37 -6.492 9.710 5.858 1.00 1.23 N ATOM 547 CA VAL A 37 -7.323 8.726 5.138 1.00 1.12 C ATOM 548 C VAL A 37 -7.974 7.740 6.124 1.00 1.19 C ATOM 549 O VAL A 37 -7.366 7.366 7.133 1.00 1.79 O ATOM 550 CB VAL A 37 -6.509 8.047 4.009 1.00 1.01 C ATOM 551 CG1 VAL A 37 -5.278 7.287 4.524 1.00 1.21 C ATOM 552 CG2 VAL A 37 -7.335 7.088 3.148 1.00 0.91 C ATOM 0 H VAL A 37 -5.510 9.438 5.911 1.00 1.23 H new ATOM 0 HA VAL A 37 -8.148 9.237 4.643 1.00 1.12 H new ATOM 0 HB VAL A 37 -6.185 8.886 3.393 1.00 1.01 H new ATOM 0 HG11 VAL A 37 -4.752 6.835 3.683 1.00 1.21 H new ATOM 0 HG12 VAL A 37 -4.612 7.979 5.039 1.00 1.21 H new ATOM 0 HG13 VAL A 37 -5.595 6.507 5.216 1.00 1.21 H new ATOM 0 HG21 VAL A 37 -6.699 6.650 2.379 1.00 0.91 H new ATOM 0 HG22 VAL A 37 -7.743 6.296 3.775 1.00 0.91 H new ATOM 0 HG23 VAL A 37 -8.152 7.634 2.676 1.00 0.91 H new ATOM 562 N GLN A 38 -9.210 7.321 5.842 1.00 0.91 N ATOM 563 CA GLN A 38 -9.991 6.326 6.596 1.00 0.86 C ATOM 564 C GLN A 38 -10.388 5.133 5.696 1.00 0.73 C ATOM 565 O GLN A 38 -10.337 5.250 4.466 1.00 0.80 O ATOM 566 CB GLN A 38 -11.207 7.013 7.249 1.00 1.04 C ATOM 567 CG GLN A 38 -12.238 7.549 6.244 1.00 1.77 C ATOM 568 CD GLN A 38 -13.421 8.219 6.897 1.00 1.93 C ATOM 569 OE1 GLN A 38 -13.699 9.396 6.693 1.00 3.09 O ATOM 570 NE2 GLN A 38 -14.171 7.523 7.701 1.00 1.87 N ATOM 0 H GLN A 38 -9.724 7.684 5.039 1.00 0.91 H new ATOM 0 HA GLN A 38 -9.377 5.909 7.395 1.00 0.86 H new ATOM 0 HB2 GLN A 38 -11.699 6.303 7.914 1.00 1.04 H new ATOM 0 HB3 GLN A 38 -10.856 7.838 7.868 1.00 1.04 H new ATOM 0 HG2 GLN A 38 -11.749 8.260 5.578 1.00 1.77 H new ATOM 0 HG3 GLN A 38 -12.593 6.725 5.625 1.00 1.77 H new ATOM 0 HE21 GLN A 38 -13.953 6.543 7.881 1.00 1.87 H new ATOM 0 HE22 GLN A 38 -14.977 7.958 8.151 1.00 1.87 H new ATOM 579 N ARG A 39 -10.826 3.993 6.260 1.00 0.68 N ATOM 580 CA ARG A 39 -11.369 2.888 5.434 1.00 0.90 C ATOM 581 C ARG A 39 -12.754 3.255 4.876 1.00 1.27 C ATOM 582 O ARG A 39 -13.467 4.053 5.499 1.00 2.82 O ATOM 583 CB ARG A 39 -11.328 1.530 6.154 1.00 1.14 C ATOM 584 CG ARG A 39 -12.497 1.276 7.108 1.00 1.25 C ATOM 585 CD ARG A 39 -12.399 -0.127 7.705 1.00 2.16 C ATOM 586 NE ARG A 39 -13.556 -0.418 8.563 1.00 2.51 N ATOM 587 CZ ARG A 39 -13.551 -0.711 9.848 1.00 2.20 C ATOM 588 NH1 ARG A 39 -12.474 -0.778 10.573 1.00 2.54 N ATOM 589 NH2 ARG A 39 -14.665 -0.949 10.467 1.00 2.62 N ATOM 0 H ARG A 39 -10.818 3.810 7.263 1.00 0.68 H new ATOM 0 HA ARG A 39 -10.711 2.757 4.575 1.00 0.90 H new ATOM 0 HB2 ARG A 39 -11.309 0.738 5.406 1.00 1.14 H new ATOM 0 HB3 ARG A 39 -10.397 1.460 6.716 1.00 1.14 H new ATOM 0 HG2 ARG A 39 -12.492 2.019 7.905 1.00 1.25 H new ATOM 0 HG3 ARG A 39 -13.441 1.387 6.575 1.00 1.25 H new ATOM 0 HD2 ARG A 39 -12.342 -0.864 6.904 1.00 2.16 H new ATOM 0 HD3 ARG A 39 -11.480 -0.216 8.285 1.00 2.16 H new ATOM 0 HE ARG A 39 -14.470 -0.390 8.111 1.00 2.51 H new ATOM 0 HH11 ARG A 39 -11.563 -0.598 10.151 1.00 2.54 H new ATOM 0 HH12 ARG A 39 -12.540 -1.010 11.564 1.00 2.54 H new ATOM 0 HH21 ARG A 39 -15.549 -0.910 9.959 1.00 2.62 H new ATOM 0 HH22 ARG A 39 -14.658 -1.175 11.462 1.00 2.62 H new ATOM 603 N GLY A 40 -13.159 2.689 3.738 1.00 1.02 N ATOM 604 CA GLY A 40 -14.433 3.021 3.081 1.00 0.98 C ATOM 605 C GLY A 40 -14.300 4.007 1.910 1.00 0.96 C ATOM 606 O GLY A 40 -15.260 4.720 1.611 1.00 1.28 O ATOM 0 H GLY A 40 -12.614 1.985 3.241 1.00 1.02 H new ATOM 0 HA2 GLY A 40 -14.891 2.102 2.717 1.00 0.98 H new ATOM 0 HA3 GLY A 40 -15.112 3.444 3.822 1.00 0.98 H new ATOM 610 N ASP A 41 -13.133 4.076 1.261 1.00 1.00 N ATOM 611 CA ASP A 41 -12.860 4.911 0.083 1.00 0.99 C ATOM 612 C ASP A 41 -11.984 4.178 -0.957 1.00 0.74 C ATOM 613 O ASP A 41 -11.313 3.188 -0.647 1.00 0.64 O ATOM 614 CB ASP A 41 -12.207 6.231 0.526 1.00 1.16 C ATOM 615 CG ASP A 41 -13.216 7.172 1.184 1.00 1.54 C ATOM 616 OD1 ASP A 41 -14.138 7.636 0.479 1.00 2.74 O ATOM 617 OD2 ASP A 41 -13.115 7.449 2.404 1.00 2.04 O ATOM 0 H ASP A 41 -12.321 3.532 1.552 1.00 1.00 H new ATOM 0 HA ASP A 41 -13.809 5.128 -0.407 1.00 0.99 H new ATOM 0 HB2 ASP A 41 -11.398 6.019 1.225 1.00 1.16 H new ATOM 0 HB3 ASP A 41 -11.761 6.723 -0.338 1.00 1.16 H new ATOM 622 N ILE A 42 -11.982 4.686 -2.195 1.00 0.69 N ATOM 623 CA ILE A 42 -11.230 4.141 -3.337 1.00 0.58 C ATOM 624 C ILE A 42 -9.986 4.998 -3.610 1.00 0.41 C ATOM 625 O ILE A 42 -10.099 6.213 -3.796 1.00 0.39 O ATOM 626 CB ILE A 42 -12.126 4.036 -4.589 1.00 0.73 C ATOM 627 CG1 ILE A 42 -13.416 3.217 -4.348 1.00 1.11 C ATOM 628 CG2 ILE A 42 -11.337 3.445 -5.773 1.00 0.72 C ATOM 629 CD1 ILE A 42 -13.230 1.782 -3.843 1.00 1.13 C ATOM 0 H ILE A 42 -12.522 5.516 -2.440 1.00 0.69 H new ATOM 0 HA ILE A 42 -10.901 3.133 -3.087 1.00 0.58 H new ATOM 0 HB ILE A 42 -12.437 5.053 -4.828 1.00 0.73 H new ATOM 0 HG12 ILE A 42 -14.032 3.755 -3.628 1.00 1.11 H new ATOM 0 HG13 ILE A 42 -13.976 3.180 -5.282 1.00 1.11 H new ATOM 0 HG21 ILE A 42 -11.986 3.379 -6.646 1.00 0.72 H new ATOM 0 HG22 ILE A 42 -10.487 4.088 -6.001 1.00 0.72 H new ATOM 0 HG23 ILE A 42 -10.979 2.449 -5.511 1.00 0.72 H new ATOM 0 HD11 ILE A 42 -14.205 1.313 -3.713 1.00 1.13 H new ATOM 0 HD12 ILE A 42 -12.648 1.214 -4.568 1.00 1.13 H new ATOM 0 HD13 ILE A 42 -12.705 1.798 -2.888 1.00 1.13 H new ATOM 641 N ILE A 43 -8.802 4.378 -3.647 1.00 0.42 N ATOM 642 CA ILE A 43 -7.498 5.054 -3.715 1.00 0.50 C ATOM 643 C ILE A 43 -6.771 4.740 -5.034 1.00 0.51 C ATOM 644 O ILE A 43 -6.600 3.570 -5.385 1.00 0.60 O ATOM 645 CB ILE A 43 -6.629 4.604 -2.510 1.00 0.66 C ATOM 646 CG1 ILE A 43 -7.345 4.665 -1.139 1.00 0.80 C ATOM 647 CG2 ILE A 43 -5.302 5.379 -2.445 1.00 0.82 C ATOM 648 CD1 ILE A 43 -7.839 6.052 -0.711 1.00 0.87 C ATOM 0 H ILE A 43 -8.720 3.361 -3.630 1.00 0.42 H new ATOM 0 HA ILE A 43 -7.662 6.131 -3.676 1.00 0.50 H new ATOM 0 HB ILE A 43 -6.427 3.550 -2.702 1.00 0.66 H new ATOM 0 HG12 ILE A 43 -8.198 3.987 -1.164 1.00 0.80 H new ATOM 0 HG13 ILE A 43 -6.663 4.291 -0.376 1.00 0.80 H new ATOM 0 HG21 ILE A 43 -4.722 5.036 -1.588 1.00 0.82 H new ATOM 0 HG22 ILE A 43 -4.735 5.207 -3.360 1.00 0.82 H new ATOM 0 HG23 ILE A 43 -5.508 6.444 -2.341 1.00 0.82 H new ATOM 0 HD11 ILE A 43 -8.325 5.981 0.262 1.00 0.87 H new ATOM 0 HD12 ILE A 43 -6.992 6.735 -0.645 1.00 0.87 H new ATOM 0 HD13 ILE A 43 -8.552 6.427 -1.446 1.00 0.87 H new ATOM 660 N LYS A 44 -6.305 5.764 -5.759 1.00 0.62 N ATOM 661 CA LYS A 44 -5.505 5.616 -6.993 1.00 0.69 C ATOM 662 C LYS A 44 -4.032 5.339 -6.709 1.00 0.77 C ATOM 663 O LYS A 44 -3.454 5.906 -5.779 1.00 1.21 O ATOM 664 CB LYS A 44 -5.545 6.896 -7.850 1.00 1.13 C ATOM 665 CG LYS A 44 -6.936 7.428 -8.192 1.00 2.43 C ATOM 666 CD LYS A 44 -7.749 6.574 -9.174 1.00 2.43 C ATOM 667 CE LYS A 44 -7.241 6.541 -10.622 1.00 1.68 C ATOM 668 NZ LYS A 44 -7.072 7.895 -11.200 1.00 2.47 N ATOM 0 H LYS A 44 -6.473 6.737 -5.505 1.00 0.62 H new ATOM 0 HA LYS A 44 -5.954 4.772 -7.517 1.00 0.69 H new ATOM 0 HB2 LYS A 44 -4.997 7.679 -7.325 1.00 1.13 H new ATOM 0 HB3 LYS A 44 -5.012 6.703 -8.781 1.00 1.13 H new ATOM 0 HG2 LYS A 44 -7.505 7.527 -7.268 1.00 2.43 H new ATOM 0 HG3 LYS A 44 -6.830 8.429 -8.610 1.00 2.43 H new ATOM 0 HD2 LYS A 44 -7.777 5.552 -8.797 1.00 2.43 H new ATOM 0 HD3 LYS A 44 -8.775 6.941 -9.179 1.00 2.43 H new ATOM 0 HE2 LYS A 44 -6.287 6.014 -10.656 1.00 1.68 H new ATOM 0 HE3 LYS A 44 -7.941 5.973 -11.235 1.00 1.68 H new ATOM 0 HZ1 LYS A 44 -6.843 7.815 -12.211 1.00 2.47 H new ATOM 0 HZ2 LYS A 44 -7.955 8.433 -11.087 1.00 2.47 H new ATOM 0 HZ3 LYS A 44 -6.300 8.389 -10.708 1.00 2.47 H new ATOM 682 N VAL A 45 -3.398 4.556 -7.581 1.00 0.51 N ATOM 683 CA VAL A 45 -1.930 4.388 -7.610 1.00 0.48 C ATOM 684 C VAL A 45 -1.370 4.517 -9.031 1.00 0.51 C ATOM 685 O VAL A 45 -1.943 3.995 -9.992 1.00 0.56 O ATOM 686 CB VAL A 45 -1.498 3.083 -6.908 1.00 0.45 C ATOM 687 CG1 VAL A 45 -1.786 1.815 -7.719 1.00 0.52 C ATOM 688 CG2 VAL A 45 -0.005 3.098 -6.549 1.00 0.47 C ATOM 0 H VAL A 45 -3.884 4.013 -8.295 1.00 0.51 H new ATOM 0 HA VAL A 45 -1.491 5.206 -7.039 1.00 0.48 H new ATOM 0 HB VAL A 45 -2.106 3.049 -6.004 1.00 0.45 H new ATOM 0 HG11 VAL A 45 -1.454 0.941 -7.158 1.00 0.52 H new ATOM 0 HG12 VAL A 45 -2.857 1.739 -7.908 1.00 0.52 H new ATOM 0 HG13 VAL A 45 -1.252 1.861 -8.668 1.00 0.52 H new ATOM 0 HG21 VAL A 45 0.260 2.162 -6.057 1.00 0.47 H new ATOM 0 HG22 VAL A 45 0.587 3.210 -7.458 1.00 0.47 H new ATOM 0 HG23 VAL A 45 0.199 3.932 -5.878 1.00 0.47 H new ATOM 698 N VAL A 46 -0.252 5.232 -9.169 1.00 0.53 N ATOM 699 CA VAL A 46 0.429 5.503 -10.451 1.00 0.57 C ATOM 700 C VAL A 46 1.479 4.436 -10.824 1.00 0.56 C ATOM 701 O VAL A 46 1.931 3.678 -9.956 1.00 0.62 O ATOM 702 CB VAL A 46 1.080 6.906 -10.441 1.00 0.74 C ATOM 703 CG1 VAL A 46 0.040 7.996 -10.175 1.00 0.89 C ATOM 704 CG2 VAL A 46 2.215 7.031 -9.421 1.00 0.87 C ATOM 0 H VAL A 46 0.224 5.654 -8.372 1.00 0.53 H new ATOM 0 HA VAL A 46 -0.346 5.464 -11.217 1.00 0.57 H new ATOM 0 HB VAL A 46 1.508 7.041 -11.434 1.00 0.74 H new ATOM 0 HG11 VAL A 46 0.527 8.971 -10.174 1.00 0.89 H new ATOM 0 HG12 VAL A 46 -0.721 7.971 -10.955 1.00 0.89 H new ATOM 0 HG13 VAL A 46 -0.428 7.823 -9.206 1.00 0.89 H new ATOM 0 HG21 VAL A 46 2.632 8.037 -9.462 1.00 0.87 H new ATOM 0 HG22 VAL A 46 1.828 6.839 -8.420 1.00 0.87 H new ATOM 0 HG23 VAL A 46 2.995 6.306 -9.654 1.00 0.87 H new ATOM 714 N PRO A 47 1.938 4.381 -12.091 1.00 0.62 N ATOM 715 CA PRO A 47 3.099 3.574 -12.466 1.00 0.71 C ATOM 716 C PRO A 47 4.356 4.127 -11.766 1.00 0.71 C ATOM 717 O PRO A 47 4.573 5.343 -11.747 1.00 0.80 O ATOM 718 CB PRO A 47 3.188 3.647 -13.997 1.00 0.86 C ATOM 719 CG PRO A 47 1.845 4.221 -14.445 1.00 1.07 C ATOM 720 CD PRO A 47 1.416 5.072 -13.258 1.00 0.70 C ATOM 0 HA PRO A 47 3.012 2.533 -12.154 1.00 0.71 H new ATOM 0 HB2 PRO A 47 4.014 4.283 -14.314 1.00 0.86 H new ATOM 0 HB3 PRO A 47 3.360 2.661 -14.430 1.00 0.86 H new ATOM 0 HG2 PRO A 47 1.944 4.817 -15.352 1.00 1.07 H new ATOM 0 HG3 PRO A 47 1.122 3.434 -14.658 1.00 1.07 H new ATOM 0 HD2 PRO A 47 1.818 6.082 -13.331 1.00 0.70 H new ATOM 0 HD3 PRO A 47 0.331 5.164 -13.210 1.00 0.70 H new ATOM 728 N GLY A 48 5.161 3.261 -11.143 1.00 0.71 N ATOM 729 CA GLY A 48 6.272 3.653 -10.257 1.00 0.75 C ATOM 730 C GLY A 48 5.861 4.049 -8.826 1.00 0.78 C ATOM 731 O GLY A 48 6.728 4.222 -7.967 1.00 1.01 O ATOM 0 H GLY A 48 5.061 2.250 -11.239 1.00 0.71 H new ATOM 0 HA2 GLY A 48 6.979 2.825 -10.199 1.00 0.75 H new ATOM 0 HA3 GLY A 48 6.800 4.491 -10.712 1.00 0.75 H new ATOM 735 N GLY A 49 4.558 4.184 -8.547 1.00 0.68 N ATOM 736 CA GLY A 49 4.024 4.572 -7.237 1.00 0.72 C ATOM 737 C GLY A 49 4.256 3.533 -6.134 1.00 0.70 C ATOM 738 O GLY A 49 4.538 2.365 -6.403 1.00 1.02 O ATOM 0 H GLY A 49 3.830 4.022 -9.243 1.00 0.68 H new ATOM 0 HA2 GLY A 49 4.481 5.515 -6.935 1.00 0.72 H new ATOM 0 HA3 GLY A 49 2.953 4.752 -7.332 1.00 0.72 H new ATOM 742 N LYS A 50 4.100 3.952 -4.876 1.00 0.60 N ATOM 743 CA LYS A 50 4.173 3.101 -3.679 1.00 0.61 C ATOM 744 C LYS A 50 2.794 2.980 -3.024 1.00 0.67 C ATOM 745 O LYS A 50 1.989 3.915 -3.060 1.00 0.95 O ATOM 746 CB LYS A 50 5.204 3.665 -2.687 1.00 0.67 C ATOM 747 CG LYS A 50 6.631 3.774 -3.245 1.00 0.70 C ATOM 748 CD LYS A 50 7.559 4.375 -2.180 1.00 0.92 C ATOM 749 CE LYS A 50 9.002 4.541 -2.673 1.00 1.02 C ATOM 750 NZ LYS A 50 9.846 5.188 -1.639 1.00 1.67 N ATOM 0 H LYS A 50 3.912 4.929 -4.651 1.00 0.60 H new ATOM 0 HA LYS A 50 4.495 2.103 -3.977 1.00 0.61 H new ATOM 0 HB2 LYS A 50 4.877 4.654 -2.365 1.00 0.67 H new ATOM 0 HB3 LYS A 50 5.221 3.031 -1.801 1.00 0.67 H new ATOM 0 HG2 LYS A 50 6.992 2.789 -3.542 1.00 0.70 H new ATOM 0 HG3 LYS A 50 6.636 4.398 -4.139 1.00 0.70 H new ATOM 0 HD2 LYS A 50 7.171 5.346 -1.873 1.00 0.92 H new ATOM 0 HD3 LYS A 50 7.553 3.736 -1.297 1.00 0.92 H new ATOM 0 HE2 LYS A 50 9.417 3.566 -2.929 1.00 1.02 H new ATOM 0 HE3 LYS A 50 9.012 5.140 -3.583 1.00 1.02 H new ATOM 0 HZ1 LYS A 50 10.817 5.289 -1.997 1.00 1.67 H new ATOM 0 HZ2 LYS A 50 9.461 6.127 -1.414 1.00 1.67 H new ATOM 0 HZ3 LYS A 50 9.853 4.602 -0.780 1.00 1.67 H new ATOM 764 N PHE A 51 2.523 1.843 -2.384 1.00 0.61 N ATOM 765 CA PHE A 51 1.256 1.616 -1.674 1.00 0.62 C ATOM 766 C PHE A 51 1.261 2.257 -0.261 1.00 0.62 C ATOM 767 O PHE A 51 2.206 2.024 0.501 1.00 0.64 O ATOM 768 CB PHE A 51 0.945 0.111 -1.639 1.00 0.62 C ATOM 769 CG PHE A 51 0.573 -0.467 -2.996 1.00 0.57 C ATOM 770 CD1 PHE A 51 -0.765 -0.447 -3.434 1.00 1.99 C ATOM 771 CD2 PHE A 51 1.564 -1.012 -3.833 1.00 2.08 C ATOM 772 CE1 PHE A 51 -1.105 -0.964 -4.699 1.00 2.07 C ATOM 773 CE2 PHE A 51 1.230 -1.517 -5.100 1.00 2.02 C ATOM 774 CZ PHE A 51 -0.105 -1.491 -5.536 1.00 0.64 C ATOM 0 H PHE A 51 3.169 1.055 -2.341 1.00 0.61 H new ATOM 0 HA PHE A 51 0.454 2.114 -2.219 1.00 0.62 H new ATOM 0 HB2 PHE A 51 1.814 -0.422 -1.253 1.00 0.62 H new ATOM 0 HB3 PHE A 51 0.126 -0.066 -0.942 1.00 0.62 H new ATOM 0 HD1 PHE A 51 -1.533 -0.034 -2.797 1.00 1.99 H new ATOM 0 HD2 PHE A 51 2.590 -1.042 -3.498 1.00 2.08 H new ATOM 0 HE1 PHE A 51 -2.134 -0.956 -5.027 1.00 2.07 H new ATOM 0 HE2 PHE A 51 1.999 -1.925 -5.739 1.00 2.02 H new ATOM 0 HZ PHE A 51 -0.363 -1.875 -6.512 1.00 0.64 H new ATOM 784 N PRO A 52 0.234 3.045 0.132 1.00 0.62 N ATOM 785 CA PRO A 52 0.179 3.713 1.444 1.00 0.62 C ATOM 786 C PRO A 52 -0.406 2.853 2.584 1.00 0.63 C ATOM 787 O PRO A 52 -0.073 3.076 3.747 1.00 0.71 O ATOM 788 CB PRO A 52 -0.681 4.962 1.209 1.00 0.70 C ATOM 789 CG PRO A 52 -1.639 4.542 0.095 1.00 0.72 C ATOM 790 CD PRO A 52 -0.811 3.568 -0.742 1.00 0.66 C ATOM 0 HA PRO A 52 1.190 3.934 1.786 1.00 0.62 H new ATOM 0 HB2 PRO A 52 -1.220 5.252 2.111 1.00 0.70 H new ATOM 0 HB3 PRO A 52 -0.073 5.816 0.912 1.00 0.70 H new ATOM 0 HG2 PRO A 52 -2.535 4.066 0.495 1.00 0.72 H new ATOM 0 HG3 PRO A 52 -1.968 5.398 -0.494 1.00 0.72 H new ATOM 0 HD2 PRO A 52 -1.435 2.760 -1.125 1.00 0.66 H new ATOM 0 HD3 PRO A 52 -0.377 4.072 -1.605 1.00 0.66 H new ATOM 798 N VAL A 53 -1.255 1.872 2.257 1.00 0.61 N ATOM 799 CA VAL A 53 -1.961 0.955 3.179 1.00 0.65 C ATOM 800 C VAL A 53 -2.049 -0.443 2.539 1.00 0.69 C ATOM 801 O VAL A 53 -1.589 -0.617 1.408 1.00 0.81 O ATOM 802 CB VAL A 53 -3.356 1.480 3.593 1.00 0.75 C ATOM 803 CG1 VAL A 53 -3.255 2.699 4.516 1.00 0.76 C ATOM 804 CG2 VAL A 53 -4.236 1.852 2.398 1.00 0.88 C ATOM 0 H VAL A 53 -1.486 1.680 1.282 1.00 0.61 H new ATOM 0 HA VAL A 53 -1.384 0.894 4.102 1.00 0.65 H new ATOM 0 HB VAL A 53 -3.822 0.649 4.123 1.00 0.75 H new ATOM 0 HG11 VAL A 53 -4.256 3.037 4.784 1.00 0.76 H new ATOM 0 HG12 VAL A 53 -2.710 2.427 5.420 1.00 0.76 H new ATOM 0 HG13 VAL A 53 -2.727 3.502 4.002 1.00 0.76 H new ATOM 0 HG21 VAL A 53 -5.201 2.213 2.755 1.00 0.88 H new ATOM 0 HG22 VAL A 53 -3.748 2.634 1.817 1.00 0.88 H new ATOM 0 HG23 VAL A 53 -4.387 0.974 1.770 1.00 0.88 H new ATOM 814 N ASP A 54 -2.593 -1.442 3.243 1.00 0.68 N ATOM 815 CA ASP A 54 -2.844 -2.784 2.694 1.00 0.71 C ATOM 816 C ASP A 54 -4.333 -2.994 2.352 1.00 0.75 C ATOM 817 O ASP A 54 -5.215 -2.376 2.952 1.00 0.80 O ATOM 818 CB ASP A 54 -2.211 -3.882 3.570 1.00 0.79 C ATOM 819 CG ASP A 54 -2.734 -4.013 5.003 1.00 0.95 C ATOM 820 OD1 ASP A 54 -3.952 -4.159 5.225 1.00 1.46 O ATOM 821 OD2 ASP A 54 -1.919 -4.024 5.952 1.00 2.36 O ATOM 0 H ASP A 54 -2.875 -1.343 4.218 1.00 0.68 H new ATOM 0 HA ASP A 54 -2.332 -2.868 1.735 1.00 0.71 H new ATOM 0 HB2 ASP A 54 -2.352 -4.839 3.069 1.00 0.79 H new ATOM 0 HB3 ASP A 54 -1.137 -3.702 3.616 1.00 0.79 H new ATOM 826 N GLY A 55 -4.612 -3.795 1.319 1.00 0.73 N ATOM 827 CA GLY A 55 -5.976 -3.952 0.793 1.00 0.76 C ATOM 828 C GLY A 55 -6.063 -4.721 -0.530 1.00 0.65 C ATOM 829 O GLY A 55 -5.132 -5.431 -0.905 1.00 0.66 O ATOM 0 H GLY A 55 -3.910 -4.348 0.827 1.00 0.73 H new ATOM 0 HA2 GLY A 55 -6.582 -4.467 1.538 1.00 0.76 H new ATOM 0 HA3 GLY A 55 -6.414 -2.964 0.654 1.00 0.76 H new ATOM 833 N ARG A 56 -7.173 -4.555 -1.261 1.00 0.62 N ATOM 834 CA ARG A 56 -7.452 -5.211 -2.553 1.00 0.58 C ATOM 835 C ARG A 56 -7.588 -4.222 -3.718 1.00 0.49 C ATOM 836 O ARG A 56 -8.282 -3.210 -3.619 1.00 0.55 O ATOM 837 CB ARG A 56 -8.682 -6.120 -2.377 1.00 0.74 C ATOM 838 CG ARG A 56 -9.070 -6.894 -3.647 1.00 0.87 C ATOM 839 CD ARG A 56 -10.102 -7.998 -3.386 1.00 1.07 C ATOM 840 NE ARG A 56 -11.269 -7.532 -2.613 1.00 1.57 N ATOM 841 CZ ARG A 56 -12.415 -8.173 -2.490 1.00 2.48 C ATOM 842 NH1 ARG A 56 -12.738 -9.210 -3.200 1.00 3.20 N ATOM 843 NH2 ARG A 56 -13.286 -7.784 -1.613 1.00 3.45 N ATOM 0 H ARG A 56 -7.930 -3.940 -0.962 1.00 0.62 H new ATOM 0 HA ARG A 56 -6.595 -5.823 -2.836 1.00 0.58 H new ATOM 0 HB2 ARG A 56 -8.484 -6.832 -1.576 1.00 0.74 H new ATOM 0 HB3 ARG A 56 -9.529 -5.511 -2.061 1.00 0.74 H new ATOM 0 HG2 ARG A 56 -9.471 -6.196 -4.382 1.00 0.87 H new ATOM 0 HG3 ARG A 56 -8.175 -7.337 -4.083 1.00 0.87 H new ATOM 0 HD2 ARG A 56 -10.443 -8.400 -4.340 1.00 1.07 H new ATOM 0 HD3 ARG A 56 -9.622 -8.816 -2.849 1.00 1.07 H new ATOM 0 HE ARG A 56 -11.182 -6.637 -2.132 1.00 1.57 H new ATOM 0 HH11 ARG A 56 -12.089 -9.571 -3.899 1.00 3.20 H new ATOM 0 HH12 ARG A 56 -13.641 -9.664 -3.059 1.00 3.20 H new ATOM 0 HH21 ARG A 56 -13.086 -6.981 -1.017 1.00 3.45 H new ATOM 0 HH22 ARG A 56 -14.172 -8.281 -1.519 1.00 3.45 H new ATOM 857 N VAL A 57 -6.959 -4.560 -4.844 1.00 0.54 N ATOM 858 CA VAL A 57 -7.076 -3.906 -6.157 1.00 0.50 C ATOM 859 C VAL A 57 -8.275 -4.492 -6.897 1.00 0.48 C ATOM 860 O VAL A 57 -8.420 -5.716 -6.947 1.00 0.55 O ATOM 861 CB VAL A 57 -5.797 -4.142 -6.995 1.00 0.63 C ATOM 862 CG1 VAL A 57 -5.942 -3.693 -8.456 1.00 0.63 C ATOM 863 CG2 VAL A 57 -4.596 -3.395 -6.408 1.00 1.03 C ATOM 0 H VAL A 57 -6.312 -5.348 -4.870 1.00 0.54 H new ATOM 0 HA VAL A 57 -7.208 -2.834 -6.010 1.00 0.50 H new ATOM 0 HB VAL A 57 -5.639 -5.220 -6.964 1.00 0.63 H new ATOM 0 HG11 VAL A 57 -5.011 -3.885 -8.990 1.00 0.63 H new ATOM 0 HG12 VAL A 57 -6.753 -4.248 -8.928 1.00 0.63 H new ATOM 0 HG13 VAL A 57 -6.165 -2.627 -8.488 1.00 0.63 H new ATOM 0 HG21 VAL A 57 -3.715 -3.583 -7.022 1.00 1.03 H new ATOM 0 HG22 VAL A 57 -4.805 -2.325 -6.392 1.00 1.03 H new ATOM 0 HG23 VAL A 57 -4.412 -3.744 -5.392 1.00 1.03 H new ATOM 873 N ILE A 58 -9.100 -3.645 -7.520 1.00 0.46 N ATOM 874 CA ILE A 58 -10.236 -4.084 -8.359 1.00 0.53 C ATOM 875 C ILE A 58 -10.372 -3.286 -9.671 1.00 0.55 C ATOM 876 O ILE A 58 -11.457 -3.183 -10.239 1.00 0.65 O ATOM 877 CB ILE A 58 -11.552 -4.079 -7.533 1.00 0.61 C ATOM 878 CG1 ILE A 58 -11.701 -2.762 -6.743 1.00 0.63 C ATOM 879 CG2 ILE A 58 -11.609 -5.287 -6.583 1.00 0.65 C ATOM 880 CD1 ILE A 58 -13.121 -2.520 -6.218 1.00 0.82 C ATOM 0 H ILE A 58 -9.005 -2.631 -7.461 1.00 0.46 H new ATOM 0 HA ILE A 58 -10.027 -5.108 -8.669 1.00 0.53 H new ATOM 0 HB ILE A 58 -12.385 -4.155 -8.232 1.00 0.61 H new ATOM 0 HG12 ILE A 58 -11.008 -2.772 -5.902 1.00 0.63 H new ATOM 0 HG13 ILE A 58 -11.412 -1.929 -7.384 1.00 0.63 H new ATOM 0 HG21 ILE A 58 -12.540 -5.261 -6.016 1.00 0.65 H new ATOM 0 HG22 ILE A 58 -11.564 -6.209 -7.163 1.00 0.65 H new ATOM 0 HG23 ILE A 58 -10.764 -5.249 -5.895 1.00 0.65 H new ATOM 0 HD11 ILE A 58 -13.152 -1.577 -5.673 1.00 0.82 H new ATOM 0 HD12 ILE A 58 -13.816 -2.477 -7.056 1.00 0.82 H new ATOM 0 HD13 ILE A 58 -13.406 -3.334 -5.551 1.00 0.82 H new ATOM 892 N GLU A 59 -9.251 -2.827 -10.227 1.00 0.52 N ATOM 893 CA GLU A 59 -9.125 -2.298 -11.592 1.00 0.58 C ATOM 894 C GLU A 59 -7.640 -2.196 -11.955 1.00 0.59 C ATOM 895 O GLU A 59 -6.841 -1.758 -11.123 1.00 0.61 O ATOM 896 CB GLU A 59 -9.790 -0.914 -11.780 1.00 0.65 C ATOM 897 CG GLU A 59 -10.084 -0.689 -13.277 1.00 1.03 C ATOM 898 CD GLU A 59 -11.062 0.455 -13.563 1.00 1.60 C ATOM 899 OE1 GLU A 59 -10.648 1.642 -13.542 1.00 2.88 O ATOM 900 OE2 GLU A 59 -12.254 0.181 -13.863 1.00 2.35 O ATOM 0 H GLU A 59 -8.366 -2.811 -9.720 1.00 0.52 H new ATOM 0 HA GLU A 59 -9.648 -2.992 -12.250 1.00 0.58 H new ATOM 0 HB2 GLU A 59 -10.714 -0.860 -11.204 1.00 0.65 H new ATOM 0 HB3 GLU A 59 -9.134 -0.129 -11.404 1.00 0.65 H new ATOM 0 HG2 GLU A 59 -9.145 -0.486 -13.793 1.00 1.03 H new ATOM 0 HG3 GLU A 59 -10.487 -1.610 -13.698 1.00 1.03 H new ATOM 907 N GLY A 60 -7.286 -2.550 -13.190 1.00 0.62 N ATOM 908 CA GLY A 60 -5.934 -2.412 -13.728 1.00 0.66 C ATOM 909 C GLY A 60 -4.992 -3.582 -13.435 1.00 0.69 C ATOM 910 O GLY A 60 -5.326 -4.550 -12.747 1.00 0.82 O ATOM 0 H GLY A 60 -7.945 -2.949 -13.858 1.00 0.62 H new ATOM 0 HA2 GLY A 60 -6.002 -2.283 -14.808 1.00 0.66 H new ATOM 0 HA3 GLY A 60 -5.492 -1.501 -13.325 1.00 0.66 H new ATOM 914 N HIS A 61 -3.780 -3.471 -13.976 1.00 0.64 N ATOM 915 CA HIS A 61 -2.740 -4.503 -13.930 1.00 0.69 C ATOM 916 C HIS A 61 -1.328 -3.902 -13.831 1.00 0.70 C ATOM 917 O HIS A 61 -0.998 -2.917 -14.494 1.00 1.14 O ATOM 918 CB HIS A 61 -2.877 -5.448 -15.135 1.00 0.81 C ATOM 919 CG HIS A 61 -2.817 -4.773 -16.485 1.00 1.00 C ATOM 920 ND1 HIS A 61 -3.897 -4.393 -17.249 1.00 1.64 N ATOM 921 CD2 HIS A 61 -1.691 -4.446 -17.193 1.00 1.81 C ATOM 922 CE1 HIS A 61 -3.437 -3.864 -18.395 1.00 1.73 C ATOM 923 NE2 HIS A 61 -2.089 -3.863 -18.405 1.00 1.83 N ATOM 0 H HIS A 61 -3.483 -2.633 -14.476 1.00 0.64 H new ATOM 0 HA HIS A 61 -2.885 -5.085 -13.020 1.00 0.69 H new ATOM 0 HB2 HIS A 61 -2.085 -6.195 -15.084 1.00 0.81 H new ATOM 0 HB3 HIS A 61 -3.824 -5.981 -15.054 1.00 0.81 H new ATOM 0 HD2 HIS A 61 -0.672 -4.609 -16.873 1.00 1.81 H new ATOM 0 HE1 HIS A 61 -4.059 -3.492 -19.195 1.00 1.73 H new ATOM 0 HE2 HIS A 61 -1.481 -3.510 -19.144 1.00 1.83 H new ATOM 931 N SER A 62 -0.512 -4.434 -12.920 1.00 0.60 N ATOM 932 CA SER A 62 0.917 -4.097 -12.776 1.00 0.63 C ATOM 933 C SER A 62 1.750 -5.259 -12.221 1.00 0.65 C ATOM 934 O SER A 62 1.198 -6.283 -11.820 1.00 0.74 O ATOM 935 CB SER A 62 1.062 -2.841 -11.911 1.00 0.74 C ATOM 936 OG SER A 62 0.696 -1.711 -12.671 1.00 1.18 O ATOM 0 H SER A 62 -0.828 -5.128 -12.243 1.00 0.60 H new ATOM 0 HA SER A 62 1.314 -3.897 -13.771 1.00 0.63 H new ATOM 0 HB2 SER A 62 0.430 -2.919 -11.026 1.00 0.74 H new ATOM 0 HB3 SER A 62 2.090 -2.742 -11.561 1.00 0.74 H new ATOM 0 HG SER A 62 0.156 -1.994 -13.439 1.00 1.18 H new ATOM 942 N MET A 63 3.070 -5.083 -12.129 1.00 0.65 N ATOM 943 CA MET A 63 3.985 -5.981 -11.415 1.00 0.65 C ATOM 944 C MET A 63 4.676 -5.235 -10.260 1.00 0.71 C ATOM 945 O MET A 63 5.215 -4.140 -10.434 1.00 0.91 O ATOM 946 CB MET A 63 4.953 -6.633 -12.407 1.00 0.74 C ATOM 947 CG MET A 63 5.859 -7.644 -11.702 1.00 0.78 C ATOM 948 SD MET A 63 6.642 -8.847 -12.805 1.00 0.94 S ATOM 949 CE MET A 63 5.286 -10.034 -13.003 1.00 0.87 C ATOM 0 H MET A 63 3.546 -4.291 -12.560 1.00 0.65 H new ATOM 0 HA MET A 63 3.430 -6.795 -10.949 1.00 0.65 H new ATOM 0 HB2 MET A 63 4.390 -7.132 -13.196 1.00 0.74 H new ATOM 0 HB3 MET A 63 5.561 -5.865 -12.886 1.00 0.74 H new ATOM 0 HG2 MET A 63 6.637 -7.102 -11.165 1.00 0.78 H new ATOM 0 HG3 MET A 63 5.272 -8.181 -10.957 1.00 0.78 H new ATOM 0 HE1 MET A 63 5.605 -10.844 -13.659 1.00 0.87 H new ATOM 0 HE2 MET A 63 5.014 -10.441 -12.029 1.00 0.87 H new ATOM 0 HE3 MET A 63 4.423 -9.531 -13.440 1.00 0.87 H new ATOM 959 N VAL A 64 4.640 -5.835 -9.067 1.00 0.61 N ATOM 960 CA VAL A 64 4.994 -5.191 -7.793 1.00 0.61 C ATOM 961 C VAL A 64 6.197 -5.840 -7.102 1.00 0.63 C ATOM 962 O VAL A 64 6.273 -7.065 -6.987 1.00 0.66 O ATOM 963 CB VAL A 64 3.752 -5.168 -6.877 1.00 0.61 C ATOM 964 CG1 VAL A 64 4.036 -4.576 -5.496 1.00 0.65 C ATOM 965 CG2 VAL A 64 2.615 -4.342 -7.494 1.00 0.62 C ATOM 0 H VAL A 64 4.357 -6.808 -8.954 1.00 0.61 H new ATOM 0 HA VAL A 64 5.308 -4.170 -8.008 1.00 0.61 H new ATOM 0 HB VAL A 64 3.465 -6.214 -6.771 1.00 0.61 H new ATOM 0 HG11 VAL A 64 3.123 -4.588 -4.900 1.00 0.65 H new ATOM 0 HG12 VAL A 64 4.803 -5.168 -4.997 1.00 0.65 H new ATOM 0 HG13 VAL A 64 4.384 -3.549 -5.605 1.00 0.65 H new ATOM 0 HG21 VAL A 64 1.756 -4.347 -6.823 1.00 0.62 H new ATOM 0 HG22 VAL A 64 2.951 -3.316 -7.646 1.00 0.62 H new ATOM 0 HG23 VAL A 64 2.329 -4.775 -8.452 1.00 0.62 H new ATOM 975 N ASP A 65 7.119 -5.024 -6.586 1.00 0.68 N ATOM 976 CA ASP A 65 8.295 -5.469 -5.827 1.00 0.69 C ATOM 977 C ASP A 65 7.976 -5.589 -4.322 1.00 0.69 C ATOM 978 O ASP A 65 7.827 -4.587 -3.614 1.00 0.74 O ATOM 979 CB ASP A 65 9.465 -4.505 -6.106 1.00 0.75 C ATOM 980 CG ASP A 65 10.814 -4.970 -5.541 1.00 0.86 C ATOM 981 OD1 ASP A 65 10.847 -5.855 -4.650 1.00 1.63 O ATOM 982 OD2 ASP A 65 11.862 -4.458 -6.007 1.00 1.85 O ATOM 0 H ASP A 65 7.069 -4.010 -6.686 1.00 0.68 H new ATOM 0 HA ASP A 65 8.587 -6.467 -6.153 1.00 0.69 H new ATOM 0 HB2 ASP A 65 9.562 -4.372 -7.183 1.00 0.75 H new ATOM 0 HB3 ASP A 65 9.225 -3.529 -5.685 1.00 0.75 H new ATOM 987 N GLU A 66 7.891 -6.826 -3.821 1.00 0.74 N ATOM 988 CA GLU A 66 7.574 -7.156 -2.419 1.00 0.79 C ATOM 989 C GLU A 66 8.768 -7.741 -1.620 1.00 0.79 C ATOM 990 O GLU A 66 8.569 -8.333 -0.554 1.00 0.86 O ATOM 991 CB GLU A 66 6.362 -8.103 -2.344 1.00 0.99 C ATOM 992 CG GLU A 66 5.107 -7.700 -3.132 1.00 0.79 C ATOM 993 CD GLU A 66 3.900 -8.597 -2.798 1.00 0.82 C ATOM 994 OE1 GLU A 66 4.072 -9.755 -2.344 1.00 1.60 O ATOM 995 OE2 GLU A 66 2.745 -8.129 -2.973 1.00 1.68 O ATOM 0 H GLU A 66 8.045 -7.655 -4.395 1.00 0.74 H new ATOM 0 HA GLU A 66 7.330 -6.207 -1.941 1.00 0.79 H new ATOM 0 HB2 GLU A 66 6.679 -9.086 -2.693 1.00 0.99 H new ATOM 0 HB3 GLU A 66 6.083 -8.212 -1.296 1.00 0.99 H new ATOM 0 HG2 GLU A 66 4.859 -6.662 -2.911 1.00 0.79 H new ATOM 0 HG3 GLU A 66 5.316 -7.757 -4.200 1.00 0.79 H new ATOM 1002 N SER A 67 10.011 -7.595 -2.107 1.00 0.81 N ATOM 1003 CA SER A 67 11.183 -8.309 -1.555 1.00 0.88 C ATOM 1004 C SER A 67 11.510 -8.027 -0.080 1.00 0.82 C ATOM 1005 O SER A 67 12.191 -8.834 0.555 1.00 0.94 O ATOM 1006 CB SER A 67 12.433 -8.129 -2.431 1.00 1.12 C ATOM 1007 OG SER A 67 13.190 -6.993 -2.058 1.00 1.60 O ATOM 0 H SER A 67 10.235 -6.982 -2.891 1.00 0.81 H new ATOM 0 HA SER A 67 10.871 -9.353 -1.577 1.00 0.88 H new ATOM 0 HB2 SER A 67 13.057 -9.019 -2.357 1.00 1.12 H new ATOM 0 HB3 SER A 67 12.133 -8.036 -3.475 1.00 1.12 H new ATOM 0 HG SER A 67 13.975 -6.918 -2.639 1.00 1.60 H new ATOM 1013 N LEU A 68 11.029 -6.917 0.493 1.00 0.77 N ATOM 1014 CA LEU A 68 11.146 -6.622 1.928 1.00 0.78 C ATOM 1015 C LEU A 68 9.921 -7.129 2.715 1.00 0.82 C ATOM 1016 O LEU A 68 10.082 -7.704 3.794 1.00 0.92 O ATOM 1017 CB LEU A 68 11.401 -5.101 2.059 1.00 0.83 C ATOM 1018 CG LEU A 68 11.813 -4.493 3.419 1.00 0.86 C ATOM 1019 CD1 LEU A 68 10.726 -4.557 4.492 1.00 0.99 C ATOM 1020 CD2 LEU A 68 13.096 -5.074 4.005 1.00 0.77 C ATOM 0 H LEU A 68 10.542 -6.190 -0.031 1.00 0.77 H new ATOM 0 HA LEU A 68 11.983 -7.156 2.378 1.00 0.78 H new ATOM 0 HB2 LEU A 68 12.179 -4.841 1.341 1.00 0.83 H new ATOM 0 HB3 LEU A 68 10.491 -4.593 1.741 1.00 0.83 H new ATOM 0 HG LEU A 68 11.988 -3.450 3.155 1.00 0.86 H new ATOM 0 HD11 LEU A 68 11.098 -4.109 5.414 1.00 0.99 H new ATOM 0 HD12 LEU A 68 9.847 -4.010 4.152 1.00 0.99 H new ATOM 0 HD13 LEU A 68 10.458 -5.597 4.676 1.00 0.99 H new ATOM 0 HD21 LEU A 68 13.311 -4.592 4.958 1.00 0.77 H new ATOM 0 HD22 LEU A 68 12.972 -6.146 4.160 1.00 0.77 H new ATOM 0 HD23 LEU A 68 13.922 -4.900 3.316 1.00 0.77 H new ATOM 1032 N ILE A 69 8.706 -6.972 2.176 1.00 0.81 N ATOM 1033 CA ILE A 69 7.445 -7.243 2.891 1.00 0.86 C ATOM 1034 C ILE A 69 7.125 -8.746 2.958 1.00 0.94 C ATOM 1035 O ILE A 69 7.055 -9.304 4.055 1.00 1.02 O ATOM 1036 CB ILE A 69 6.269 -6.435 2.293 1.00 0.83 C ATOM 1037 CG1 ILE A 69 6.531 -4.911 2.217 1.00 0.80 C ATOM 1038 CG2 ILE A 69 4.987 -6.717 3.099 1.00 0.97 C ATOM 1039 CD1 ILE A 69 6.621 -4.194 3.569 1.00 0.88 C ATOM 0 H ILE A 69 8.565 -6.649 1.219 1.00 0.81 H new ATOM 0 HA ILE A 69 7.585 -6.907 3.918 1.00 0.86 H new ATOM 0 HB ILE A 69 6.153 -6.769 1.262 1.00 0.83 H new ATOM 0 HG12 ILE A 69 7.461 -4.746 1.674 1.00 0.80 H new ATOM 0 HG13 ILE A 69 5.734 -4.451 1.632 1.00 0.80 H new ATOM 0 HG21 ILE A 69 4.159 -6.147 2.677 1.00 0.97 H new ATOM 0 HG22 ILE A 69 4.755 -7.781 3.054 1.00 0.97 H new ATOM 0 HG23 ILE A 69 5.138 -6.422 4.138 1.00 0.97 H new ATOM 0 HD11 ILE A 69 6.806 -3.132 3.406 1.00 0.88 H new ATOM 0 HD12 ILE A 69 5.684 -4.320 4.111 1.00 0.88 H new ATOM 0 HD13 ILE A 69 7.437 -4.619 4.153 1.00 0.88 H new ATOM 1051 N THR A 70 6.954 -9.408 1.810 1.00 0.96 N ATOM 1052 CA THR A 70 6.650 -10.853 1.713 1.00 1.03 C ATOM 1053 C THR A 70 7.902 -11.705 1.469 1.00 1.08 C ATOM 1054 O THR A 70 7.843 -12.935 1.545 1.00 1.20 O ATOM 1055 CB THR A 70 5.595 -11.121 0.625 1.00 1.00 C ATOM 1056 OG1 THR A 70 6.060 -10.622 -0.601 1.00 1.17 O ATOM 1057 CG2 THR A 70 4.267 -10.433 0.930 1.00 1.13 C ATOM 0 H THR A 70 7.023 -8.953 0.900 1.00 0.96 H new ATOM 0 HA THR A 70 6.244 -11.151 2.680 1.00 1.03 H new ATOM 0 HB THR A 70 5.434 -12.198 0.589 1.00 1.00 H new ATOM 0 HG1 THR A 70 5.298 -10.357 -1.157 1.00 1.17 H new ATOM 0 HG21 THR A 70 3.554 -10.650 0.135 1.00 1.13 H new ATOM 0 HG22 THR A 70 3.876 -10.801 1.879 1.00 1.13 H new ATOM 0 HG23 THR A 70 4.422 -9.356 0.994 1.00 1.13 H new ATOM 1065 N GLY A 71 9.049 -11.058 1.218 1.00 1.01 N ATOM 1066 CA GLY A 71 10.353 -11.694 0.987 1.00 1.07 C ATOM 1067 C GLY A 71 10.548 -12.207 -0.448 1.00 1.08 C ATOM 1068 O GLY A 71 11.415 -13.047 -0.698 1.00 1.25 O ATOM 0 H GLY A 71 9.095 -10.040 1.169 1.00 1.01 H new ATOM 0 HA2 GLY A 71 11.142 -10.978 1.217 1.00 1.07 H new ATOM 0 HA3 GLY A 71 10.468 -12.528 1.680 1.00 1.07 H new ATOM 1072 N GLU A 72 9.711 -11.752 -1.382 1.00 1.03 N ATOM 1073 CA GLU A 72 9.698 -12.171 -2.789 1.00 1.12 C ATOM 1074 C GLU A 72 10.731 -11.395 -3.625 1.00 1.44 C ATOM 1075 O GLU A 72 10.523 -10.230 -3.976 1.00 2.98 O ATOM 1076 CB GLU A 72 8.280 -12.000 -3.363 1.00 1.04 C ATOM 1077 CG GLU A 72 7.230 -12.904 -2.705 1.00 0.87 C ATOM 1078 CD GLU A 72 7.452 -14.375 -3.050 1.00 1.15 C ATOM 1079 OE1 GLU A 72 6.974 -14.813 -4.126 1.00 2.06 O ATOM 1080 OE2 GLU A 72 8.122 -15.097 -2.271 1.00 1.97 O ATOM 0 H GLU A 72 8.996 -11.055 -1.174 1.00 1.03 H new ATOM 0 HA GLU A 72 9.980 -13.223 -2.838 1.00 1.12 H new ATOM 0 HB2 GLU A 72 7.974 -10.960 -3.246 1.00 1.04 H new ATOM 0 HB3 GLU A 72 8.304 -12.207 -4.433 1.00 1.04 H new ATOM 0 HG2 GLU A 72 7.266 -12.775 -1.623 1.00 0.87 H new ATOM 0 HG3 GLU A 72 6.235 -12.601 -3.029 1.00 0.87 H new ATOM 1087 N ALA A 73 11.846 -12.040 -3.979 1.00 1.13 N ATOM 1088 CA ALA A 73 12.894 -11.447 -4.822 1.00 1.17 C ATOM 1089 C ALA A 73 12.511 -11.482 -6.313 1.00 1.05 C ATOM 1090 O ALA A 73 13.109 -10.791 -7.137 1.00 1.40 O ATOM 1091 CB ALA A 73 14.214 -12.176 -4.551 1.00 1.53 C ATOM 0 H ALA A 73 12.051 -12.996 -3.688 1.00 1.13 H new ATOM 0 HA ALA A 73 13.011 -10.394 -4.568 1.00 1.17 H new ATOM 0 HB1 ALA A 73 15.001 -11.746 -5.170 1.00 1.53 H new ATOM 0 HB2 ALA A 73 14.480 -12.068 -3.499 1.00 1.53 H new ATOM 0 HB3 ALA A 73 14.101 -13.233 -4.790 1.00 1.53 H new ATOM 1097 N MET A 74 11.476 -12.257 -6.637 1.00 1.14 N ATOM 1098 CA MET A 74 10.792 -12.304 -7.920 1.00 1.17 C ATOM 1099 C MET A 74 9.500 -11.470 -7.799 1.00 0.99 C ATOM 1100 O MET A 74 8.600 -11.892 -7.063 1.00 1.26 O ATOM 1101 CB MET A 74 10.486 -13.775 -8.249 1.00 1.33 C ATOM 1102 CG MET A 74 11.676 -14.523 -8.865 1.00 2.24 C ATOM 1103 SD MET A 74 13.049 -14.895 -7.737 1.00 3.41 S ATOM 1104 CE MET A 74 14.242 -15.571 -8.925 1.00 4.53 C ATOM 0 H MET A 74 11.071 -12.908 -5.965 1.00 1.14 H new ATOM 0 HA MET A 74 11.402 -11.891 -8.724 1.00 1.17 H new ATOM 0 HB2 MET A 74 10.177 -14.287 -7.337 1.00 1.33 H new ATOM 0 HB3 MET A 74 9.643 -13.817 -8.939 1.00 1.33 H new ATOM 0 HG2 MET A 74 11.313 -15.461 -9.285 1.00 2.24 H new ATOM 0 HG3 MET A 74 12.063 -13.931 -9.694 1.00 2.24 H new ATOM 0 HE1 MET A 74 15.155 -15.855 -8.402 1.00 4.53 H new ATOM 0 HE2 MET A 74 13.814 -16.448 -9.411 1.00 4.53 H new ATOM 0 HE3 MET A 74 14.474 -14.817 -9.677 1.00 4.53 H new ATOM 1114 N PRO A 75 9.379 -10.312 -8.483 1.00 0.78 N ATOM 1115 CA PRO A 75 8.202 -9.442 -8.414 1.00 0.77 C ATOM 1116 C PRO A 75 6.878 -10.152 -8.720 1.00 0.64 C ATOM 1117 O PRO A 75 6.834 -11.102 -9.510 1.00 0.67 O ATOM 1118 CB PRO A 75 8.474 -8.308 -9.403 1.00 0.95 C ATOM 1119 CG PRO A 75 9.987 -8.176 -9.342 1.00 1.55 C ATOM 1120 CD PRO A 75 10.431 -9.632 -9.225 1.00 0.97 C ATOM 0 HA PRO A 75 8.068 -9.082 -7.394 1.00 0.77 H new ATOM 0 HB2 PRO A 75 8.128 -8.553 -10.407 1.00 0.95 H new ATOM 0 HB3 PRO A 75 7.974 -7.385 -9.110 1.00 0.95 H new ATOM 0 HG2 PRO A 75 10.391 -7.697 -10.234 1.00 1.55 H new ATOM 0 HG3 PRO A 75 10.310 -7.581 -8.487 1.00 1.55 H new ATOM 0 HD2 PRO A 75 10.566 -10.079 -10.210 1.00 0.97 H new ATOM 0 HD3 PRO A 75 11.387 -9.708 -8.706 1.00 0.97 H new ATOM 1128 N VAL A 76 5.800 -9.678 -8.092 1.00 0.66 N ATOM 1129 CA VAL A 76 4.478 -10.323 -8.058 1.00 0.62 C ATOM 1130 C VAL A 76 3.476 -9.559 -8.926 1.00 0.58 C ATOM 1131 O VAL A 76 3.330 -8.343 -8.794 1.00 0.58 O ATOM 1132 CB VAL A 76 3.971 -10.447 -6.603 1.00 0.66 C ATOM 1133 CG1 VAL A 76 2.645 -11.213 -6.534 1.00 0.70 C ATOM 1134 CG2 VAL A 76 4.973 -11.188 -5.706 1.00 0.72 C ATOM 0 H VAL A 76 5.821 -8.801 -7.572 1.00 0.66 H new ATOM 0 HA VAL A 76 4.577 -11.328 -8.469 1.00 0.62 H new ATOM 0 HB VAL A 76 3.840 -9.424 -6.249 1.00 0.66 H new ATOM 0 HG11 VAL A 76 2.318 -11.281 -5.496 1.00 0.70 H new ATOM 0 HG12 VAL A 76 1.890 -10.687 -7.119 1.00 0.70 H new ATOM 0 HG13 VAL A 76 2.783 -12.216 -6.938 1.00 0.70 H new ATOM 0 HG21 VAL A 76 4.576 -11.252 -4.693 1.00 0.72 H new ATOM 0 HG22 VAL A 76 5.137 -12.193 -6.096 1.00 0.72 H new ATOM 0 HG23 VAL A 76 5.919 -10.646 -5.692 1.00 0.72 H new ATOM 1144 N ALA A 77 2.758 -10.261 -9.802 1.00 0.58 N ATOM 1145 CA ALA A 77 1.767 -9.659 -10.692 1.00 0.57 C ATOM 1146 C ALA A 77 0.440 -9.350 -9.974 1.00 0.54 C ATOM 1147 O ALA A 77 -0.022 -10.132 -9.139 1.00 0.62 O ATOM 1148 CB ALA A 77 1.544 -10.598 -11.880 1.00 0.65 C ATOM 0 H ALA A 77 2.849 -11.271 -9.914 1.00 0.58 H new ATOM 0 HA ALA A 77 2.150 -8.700 -11.040 1.00 0.57 H new ATOM 0 HB1 ALA A 77 0.806 -10.163 -12.554 1.00 0.65 H new ATOM 0 HB2 ALA A 77 2.484 -10.740 -12.413 1.00 0.65 H new ATOM 0 HB3 ALA A 77 1.183 -11.561 -11.520 1.00 0.65 H new ATOM 1154 N LYS A 78 -0.189 -8.228 -10.337 1.00 0.50 N ATOM 1155 CA LYS A 78 -1.488 -7.752 -9.833 1.00 0.54 C ATOM 1156 C LYS A 78 -2.474 -7.546 -10.991 1.00 0.60 C ATOM 1157 O LYS A 78 -2.071 -7.171 -12.094 1.00 0.70 O ATOM 1158 CB LYS A 78 -1.317 -6.454 -9.019 1.00 0.57 C ATOM 1159 CG LYS A 78 -0.233 -6.487 -7.925 1.00 0.57 C ATOM 1160 CD LYS A 78 -0.483 -7.479 -6.780 1.00 0.59 C ATOM 1161 CE LYS A 78 0.711 -7.445 -5.815 1.00 0.66 C ATOM 1162 NZ LYS A 78 0.511 -8.348 -4.662 1.00 0.74 N ATOM 0 H LYS A 78 0.212 -7.592 -11.026 1.00 0.50 H new ATOM 0 HA LYS A 78 -1.897 -8.514 -9.169 1.00 0.54 H new ATOM 0 HB2 LYS A 78 -1.086 -5.643 -9.709 1.00 0.57 H new ATOM 0 HB3 LYS A 78 -2.271 -6.212 -8.551 1.00 0.57 H new ATOM 0 HG2 LYS A 78 0.722 -6.729 -8.391 1.00 0.57 H new ATOM 0 HG3 LYS A 78 -0.137 -5.487 -7.502 1.00 0.57 H new ATOM 0 HD2 LYS A 78 -1.401 -7.220 -6.252 1.00 0.59 H new ATOM 0 HD3 LYS A 78 -0.617 -8.485 -7.177 1.00 0.59 H new ATOM 0 HE2 LYS A 78 1.617 -7.732 -6.348 1.00 0.66 H new ATOM 0 HE3 LYS A 78 0.860 -6.426 -5.457 1.00 0.66 H new ATOM 0 HZ1 LYS A 78 1.345 -8.310 -4.042 1.00 0.74 H new ATOM 0 HZ2 LYS A 78 -0.330 -8.049 -4.129 1.00 0.74 H new ATOM 0 HZ3 LYS A 78 0.377 -9.321 -5.003 1.00 0.74 H new ATOM 1176 N LYS A 79 -3.757 -7.783 -10.714 1.00 0.60 N ATOM 1177 CA LYS A 79 -4.915 -7.778 -11.636 1.00 0.65 C ATOM 1178 C LYS A 79 -6.176 -7.291 -10.885 1.00 0.64 C ATOM 1179 O LYS A 79 -6.116 -7.201 -9.655 1.00 0.60 O ATOM 1180 CB LYS A 79 -5.111 -9.223 -12.157 1.00 0.75 C ATOM 1181 CG LYS A 79 -4.019 -9.658 -13.152 1.00 2.43 C ATOM 1182 CD LYS A 79 -4.350 -10.961 -13.898 1.00 2.63 C ATOM 1183 CE LYS A 79 -4.622 -12.131 -12.943 1.00 2.29 C ATOM 1184 NZ LYS A 79 -4.606 -13.434 -13.650 1.00 2.69 N ATOM 0 H LYS A 79 -4.047 -8.003 -9.761 1.00 0.60 H new ATOM 0 HA LYS A 79 -4.742 -7.103 -12.474 1.00 0.65 H new ATOM 0 HB2 LYS A 79 -5.118 -9.910 -11.311 1.00 0.75 H new ATOM 0 HB3 LYS A 79 -6.086 -9.300 -12.639 1.00 0.75 H new ATOM 0 HG2 LYS A 79 -3.864 -8.862 -13.880 1.00 2.43 H new ATOM 0 HG3 LYS A 79 -3.079 -9.785 -12.615 1.00 2.43 H new ATOM 0 HD2 LYS A 79 -5.223 -10.802 -14.531 1.00 2.63 H new ATOM 0 HD3 LYS A 79 -3.521 -11.219 -14.557 1.00 2.63 H new ATOM 0 HE2 LYS A 79 -3.871 -12.137 -12.153 1.00 2.29 H new ATOM 0 HE3 LYS A 79 -5.590 -11.990 -12.462 1.00 2.29 H new ATOM 0 HZ1 LYS A 79 -4.794 -14.199 -12.971 1.00 2.69 H new ATOM 0 HZ2 LYS A 79 -5.339 -13.438 -14.388 1.00 2.69 H new ATOM 0 HZ3 LYS A 79 -3.674 -13.580 -14.088 1.00 2.69 H new ATOM 1198 N PRO A 80 -7.325 -7.015 -11.538 1.00 0.70 N ATOM 1199 CA PRO A 80 -8.582 -6.795 -10.814 1.00 0.73 C ATOM 1200 C PRO A 80 -8.928 -8.048 -9.987 1.00 0.74 C ATOM 1201 O PRO A 80 -9.004 -9.155 -10.524 1.00 0.87 O ATOM 1202 CB PRO A 80 -9.634 -6.482 -11.886 1.00 0.83 C ATOM 1203 CG PRO A 80 -9.067 -7.126 -13.152 1.00 0.86 C ATOM 1204 CD PRO A 80 -7.560 -6.949 -12.977 1.00 0.78 C ATOM 0 HA PRO A 80 -8.524 -5.971 -10.103 1.00 0.73 H new ATOM 0 HB2 PRO A 80 -10.607 -6.899 -11.626 1.00 0.83 H new ATOM 0 HB3 PRO A 80 -9.771 -5.408 -12.010 1.00 0.83 H new ATOM 0 HG2 PRO A 80 -9.344 -8.177 -13.230 1.00 0.86 H new ATOM 0 HG3 PRO A 80 -9.430 -6.633 -14.054 1.00 0.86 H new ATOM 0 HD2 PRO A 80 -7.009 -7.730 -13.501 1.00 0.78 H new ATOM 0 HD3 PRO A 80 -7.227 -5.995 -13.386 1.00 0.78 H new ATOM 1212 N GLY A 81 -9.121 -7.886 -8.675 1.00 0.73 N ATOM 1213 CA GLY A 81 -9.221 -8.994 -7.719 1.00 0.78 C ATOM 1214 C GLY A 81 -7.845 -9.518 -7.289 1.00 0.85 C ATOM 1215 O GLY A 81 -7.542 -10.704 -7.443 1.00 1.34 O ATOM 0 H GLY A 81 -9.214 -6.968 -8.240 1.00 0.73 H new ATOM 0 HA2 GLY A 81 -9.772 -8.663 -6.839 1.00 0.78 H new ATOM 0 HA3 GLY A 81 -9.793 -9.807 -8.167 1.00 0.78 H new ATOM 1219 N SER A 82 -6.989 -8.630 -6.778 1.00 0.58 N ATOM 1220 CA SER A 82 -5.640 -8.962 -6.283 1.00 0.56 C ATOM 1221 C SER A 82 -5.320 -8.197 -5.000 1.00 0.58 C ATOM 1222 O SER A 82 -5.707 -7.036 -4.880 1.00 0.82 O ATOM 1223 CB SER A 82 -4.625 -8.623 -7.369 1.00 0.55 C ATOM 1224 OG SER A 82 -3.372 -9.210 -7.102 1.00 1.38 O ATOM 0 H SER A 82 -7.213 -7.639 -6.693 1.00 0.58 H new ATOM 0 HA SER A 82 -5.596 -10.026 -6.050 1.00 0.56 H new ATOM 0 HB2 SER A 82 -4.993 -8.970 -8.334 1.00 0.55 H new ATOM 0 HB3 SER A 82 -4.514 -7.541 -7.441 1.00 0.55 H new ATOM 0 HG SER A 82 -3.131 -9.814 -7.835 1.00 1.38 H new ATOM 1230 N THR A 83 -4.643 -8.806 -4.022 1.00 0.51 N ATOM 1231 CA THR A 83 -4.328 -8.150 -2.738 1.00 0.53 C ATOM 1232 C THR A 83 -2.918 -7.560 -2.713 1.00 0.50 C ATOM 1233 O THR A 83 -1.975 -8.102 -3.296 1.00 0.53 O ATOM 1234 CB THR A 83 -4.579 -9.050 -1.517 1.00 0.62 C ATOM 1235 OG1 THR A 83 -3.901 -10.279 -1.635 1.00 0.72 O ATOM 1236 CG2 THR A 83 -6.064 -9.366 -1.343 1.00 0.71 C ATOM 0 H THR A 83 -4.297 -9.763 -4.092 1.00 0.51 H new ATOM 0 HA THR A 83 -5.031 -7.321 -2.661 1.00 0.53 H new ATOM 0 HB THR A 83 -4.210 -8.493 -0.656 1.00 0.62 H new ATOM 0 HG1 THR A 83 -4.079 -10.828 -0.843 1.00 0.72 H new ATOM 0 HG21 THR A 83 -6.200 -10.004 -0.470 1.00 0.71 H new ATOM 0 HG22 THR A 83 -6.620 -8.438 -1.205 1.00 0.71 H new ATOM 0 HG23 THR A 83 -6.433 -9.881 -2.230 1.00 0.71 H new ATOM 1244 N VAL A 84 -2.777 -6.426 -2.034 1.00 0.50 N ATOM 1245 CA VAL A 84 -1.569 -5.594 -1.972 1.00 0.49 C ATOM 1246 C VAL A 84 -1.234 -5.199 -0.533 1.00 0.54 C ATOM 1247 O VAL A 84 -2.107 -5.165 0.341 1.00 0.59 O ATOM 1248 CB VAL A 84 -1.694 -4.338 -2.866 1.00 0.48 C ATOM 1249 CG1 VAL A 84 -1.728 -4.720 -4.350 1.00 0.53 C ATOM 1250 CG2 VAL A 84 -2.935 -3.487 -2.554 1.00 0.51 C ATOM 0 H VAL A 84 -3.541 -6.037 -1.481 1.00 0.50 H new ATOM 0 HA VAL A 84 -0.748 -6.198 -2.357 1.00 0.49 H new ATOM 0 HB VAL A 84 -0.810 -3.739 -2.645 1.00 0.48 H new ATOM 0 HG11 VAL A 84 -1.816 -3.818 -4.956 1.00 0.53 H new ATOM 0 HG12 VAL A 84 -0.809 -5.245 -4.612 1.00 0.53 H new ATOM 0 HG13 VAL A 84 -2.583 -5.369 -4.539 1.00 0.53 H new ATOM 0 HG21 VAL A 84 -2.960 -2.623 -3.218 1.00 0.51 H new ATOM 0 HG22 VAL A 84 -3.834 -4.085 -2.704 1.00 0.51 H new ATOM 0 HG23 VAL A 84 -2.893 -3.148 -1.519 1.00 0.51 H new ATOM 1260 N ILE A 85 0.041 -4.883 -0.304 1.00 0.58 N ATOM 1261 CA ILE A 85 0.596 -4.438 0.982 1.00 0.64 C ATOM 1262 C ILE A 85 1.420 -3.148 0.836 1.00 0.71 C ATOM 1263 O ILE A 85 2.066 -2.901 -0.188 1.00 1.01 O ATOM 1264 CB ILE A 85 1.388 -5.562 1.706 1.00 0.69 C ATOM 1265 CG1 ILE A 85 2.142 -6.566 0.805 1.00 1.01 C ATOM 1266 CG2 ILE A 85 0.458 -6.375 2.614 1.00 0.82 C ATOM 1267 CD1 ILE A 85 3.202 -5.906 -0.072 1.00 0.65 C ATOM 0 H ILE A 85 0.748 -4.931 -1.038 1.00 0.58 H new ATOM 0 HA ILE A 85 -0.253 -4.200 1.623 1.00 0.64 H new ATOM 0 HB ILE A 85 2.148 -5.010 2.258 1.00 0.69 H new ATOM 0 HG12 ILE A 85 2.616 -7.321 1.431 1.00 1.01 H new ATOM 0 HG13 ILE A 85 1.424 -7.084 0.169 1.00 1.01 H new ATOM 0 HG21 ILE A 85 1.030 -7.158 3.113 1.00 0.82 H new ATOM 0 HG22 ILE A 85 0.013 -5.718 3.361 1.00 0.82 H new ATOM 0 HG23 ILE A 85 -0.331 -6.828 2.014 1.00 0.82 H new ATOM 0 HD11 ILE A 85 3.695 -6.665 -0.680 1.00 0.65 H new ATOM 0 HD12 ILE A 85 2.729 -5.170 -0.722 1.00 0.65 H new ATOM 0 HD13 ILE A 85 3.940 -5.411 0.559 1.00 0.65 H new ATOM 1279 N ALA A 86 1.386 -2.312 1.876 1.00 0.62 N ATOM 1280 CA ALA A 86 2.027 -0.999 1.885 1.00 0.64 C ATOM 1281 C ALA A 86 3.556 -1.068 1.703 1.00 0.66 C ATOM 1282 O ALA A 86 4.200 -2.059 2.039 1.00 0.72 O ATOM 1283 CB ALA A 86 1.644 -0.268 3.174 1.00 0.71 C ATOM 0 H ALA A 86 0.905 -2.533 2.748 1.00 0.62 H new ATOM 0 HA ALA A 86 1.663 -0.440 1.023 1.00 0.64 H new ATOM 0 HB1 ALA A 86 2.118 0.714 3.190 1.00 0.71 H new ATOM 0 HB2 ALA A 86 0.561 -0.149 3.217 1.00 0.71 H new ATOM 0 HB3 ALA A 86 1.980 -0.847 4.034 1.00 0.71 H new ATOM 1289 N GLY A 87 4.146 -0.002 1.159 1.00 0.65 N ATOM 1290 CA GLY A 87 5.594 0.110 0.942 1.00 0.69 C ATOM 1291 C GLY A 87 6.163 -0.754 -0.190 1.00 0.70 C ATOM 1292 O GLY A 87 7.343 -0.623 -0.516 1.00 0.82 O ATOM 0 H GLY A 87 3.626 0.820 0.852 1.00 0.65 H new ATOM 0 HA2 GLY A 87 5.833 1.153 0.734 1.00 0.69 H new ATOM 0 HA3 GLY A 87 6.104 -0.155 1.868 1.00 0.69 H new ATOM 1296 N SER A 88 5.350 -1.607 -0.819 1.00 0.65 N ATOM 1297 CA SER A 88 5.732 -2.285 -2.061 1.00 0.65 C ATOM 1298 C SER A 88 5.646 -1.302 -3.241 1.00 0.60 C ATOM 1299 O SER A 88 4.910 -0.309 -3.171 1.00 0.60 O ATOM 1300 CB SER A 88 4.923 -3.572 -2.258 1.00 0.69 C ATOM 1301 OG SER A 88 3.534 -3.351 -2.439 1.00 1.33 O ATOM 0 H SER A 88 4.416 -1.846 -0.485 1.00 0.65 H new ATOM 0 HA SER A 88 6.771 -2.608 -2.002 1.00 0.65 H new ATOM 0 HB2 SER A 88 5.313 -4.106 -3.124 1.00 0.69 H new ATOM 0 HB3 SER A 88 5.069 -4.218 -1.393 1.00 0.69 H new ATOM 0 HG SER A 88 3.118 -3.156 -1.573 1.00 1.33 H new ATOM 1307 N ILE A 89 6.440 -1.531 -4.295 1.00 0.59 N ATOM 1308 CA ILE A 89 6.631 -0.570 -5.400 1.00 0.55 C ATOM 1309 C ILE A 89 5.953 -1.075 -6.680 1.00 0.57 C ATOM 1310 O ILE A 89 6.128 -2.234 -7.049 1.00 0.65 O ATOM 1311 CB ILE A 89 8.128 -0.252 -5.661 1.00 0.58 C ATOM 1312 CG1 ILE A 89 9.084 -0.367 -4.448 1.00 0.63 C ATOM 1313 CG2 ILE A 89 8.234 1.151 -6.292 1.00 0.60 C ATOM 1314 CD1 ILE A 89 8.849 0.634 -3.310 1.00 0.66 C ATOM 0 H ILE A 89 6.973 -2.393 -4.410 1.00 0.59 H new ATOM 0 HA ILE A 89 6.158 0.363 -5.094 1.00 0.55 H new ATOM 0 HB ILE A 89 8.474 -1.036 -6.335 1.00 0.58 H new ATOM 0 HG12 ILE A 89 9.003 -1.375 -4.041 1.00 0.63 H new ATOM 0 HG13 ILE A 89 10.107 -0.248 -4.804 1.00 0.63 H new ATOM 0 HG21 ILE A 89 9.281 1.387 -6.481 1.00 0.60 H new ATOM 0 HG22 ILE A 89 7.683 1.170 -7.232 1.00 0.60 H new ATOM 0 HG23 ILE A 89 7.813 1.890 -5.610 1.00 0.60 H new ATOM 0 HD11 ILE A 89 9.576 0.460 -2.516 1.00 0.66 H new ATOM 0 HD12 ILE A 89 8.963 1.649 -3.689 1.00 0.66 H new ATOM 0 HD13 ILE A 89 7.842 0.505 -2.914 1.00 0.66 H new ATOM 1326 N ASN A 90 5.185 -0.216 -7.352 1.00 0.53 N ATOM 1327 CA ASN A 90 4.357 -0.540 -8.519 1.00 0.50 C ATOM 1328 C ASN A 90 5.088 -0.325 -9.862 1.00 0.62 C ATOM 1329 O ASN A 90 5.954 0.547 -9.956 1.00 0.82 O ATOM 1330 CB ASN A 90 3.073 0.310 -8.425 1.00 0.53 C ATOM 1331 CG ASN A 90 2.025 -0.157 -9.401 1.00 0.74 C ATOM 1332 OD1 ASN A 90 1.740 -1.336 -9.482 1.00 1.58 O ATOM 1333 ND2 ASN A 90 1.458 0.732 -10.178 1.00 0.41 N ATOM 0 H ASN A 90 5.119 0.767 -7.088 1.00 0.53 H new ATOM 0 HA ASN A 90 4.117 -1.603 -8.503 1.00 0.50 H new ATOM 0 HB2 ASN A 90 2.675 0.258 -7.411 1.00 0.53 H new ATOM 0 HB3 ASN A 90 3.313 1.355 -8.621 1.00 0.53 H new ATOM 0 HD21 ASN A 90 0.764 0.439 -10.866 1.00 0.41 H new ATOM 0 HD22 ASN A 90 1.710 1.717 -10.095 1.00 0.41 H new ATOM 1340 N GLN A 91 4.735 -1.064 -10.921 1.00 0.72 N ATOM 1341 CA GLN A 91 5.307 -0.901 -12.272 1.00 0.93 C ATOM 1342 C GLN A 91 4.357 -1.438 -13.365 1.00 1.49 C ATOM 1343 O GLN A 91 3.817 -2.529 -13.204 1.00 3.04 O ATOM 1344 CB GLN A 91 6.656 -1.661 -12.353 1.00 1.05 C ATOM 1345 CG GLN A 91 7.752 -0.975 -13.187 1.00 1.50 C ATOM 1346 CD GLN A 91 8.483 0.134 -12.427 1.00 1.96 C ATOM 1347 OE1 GLN A 91 9.418 -0.102 -11.664 1.00 2.60 O ATOM 1348 NE2 GLN A 91 8.081 1.374 -12.583 1.00 2.52 N ATOM 0 H GLN A 91 4.035 -1.804 -10.867 1.00 0.72 H new ATOM 0 HA GLN A 91 5.456 0.165 -12.447 1.00 0.93 H new ATOM 0 HB2 GLN A 91 7.032 -1.808 -11.341 1.00 1.05 H new ATOM 0 HB3 GLN A 91 6.471 -2.651 -12.771 1.00 1.05 H new ATOM 0 HG2 GLN A 91 8.476 -1.723 -13.510 1.00 1.50 H new ATOM 0 HG3 GLN A 91 7.305 -0.555 -14.088 1.00 1.50 H new ATOM 0 HE21 GLN A 91 7.307 1.584 -13.213 1.00 2.52 H new ATOM 0 HE22 GLN A 91 8.543 2.128 -12.074 1.00 2.52 H new ATOM 1357 N ASN A 92 4.237 -0.729 -14.496 1.00 0.98 N ATOM 1358 CA ASN A 92 3.535 -1.061 -15.759 1.00 1.38 C ATOM 1359 C ASN A 92 2.126 -0.448 -15.961 1.00 1.32 C ATOM 1360 O ASN A 92 1.706 -0.279 -17.109 1.00 2.46 O ATOM 1361 CB ASN A 92 3.614 -2.565 -16.127 1.00 2.00 C ATOM 1362 CG ASN A 92 3.114 -2.853 -17.536 1.00 2.59 C ATOM 1363 OD1 ASN A 92 3.531 -2.234 -18.509 1.00 3.00 O ATOM 1364 ND2 ASN A 92 2.176 -3.759 -17.689 1.00 2.97 N ATOM 0 H ASN A 92 4.673 0.190 -14.563 1.00 0.98 H new ATOM 0 HA ASN A 92 4.125 -0.523 -16.501 1.00 1.38 H new ATOM 0 HB2 ASN A 92 4.646 -2.903 -16.036 1.00 2.00 H new ATOM 0 HB3 ASN A 92 3.026 -3.141 -15.413 1.00 2.00 H new ATOM 0 HD21 ASN A 92 1.795 -3.947 -18.616 1.00 2.97 H new ATOM 0 HD22 ASN A 92 1.828 -4.275 -16.881 1.00 2.97 H new ATOM 1371 N GLY A 93 1.401 -0.033 -14.918 1.00 0.83 N ATOM 1372 CA GLY A 93 0.020 0.454 -15.050 1.00 1.15 C ATOM 1373 C GLY A 93 -0.487 1.245 -13.837 1.00 1.19 C ATOM 1374 O GLY A 93 0.233 1.428 -12.854 1.00 2.18 O ATOM 0 H GLY A 93 1.751 -0.024 -13.960 1.00 0.83 H new ATOM 0 HA2 GLY A 93 -0.047 1.086 -15.936 1.00 1.15 H new ATOM 0 HA3 GLY A 93 -0.639 -0.398 -15.215 1.00 1.15 H new ATOM 1378 N SER A 94 -1.731 1.732 -13.917 1.00 0.81 N ATOM 1379 CA SER A 94 -2.395 2.511 -12.857 1.00 0.77 C ATOM 1380 C SER A 94 -3.679 1.818 -12.391 1.00 0.77 C ATOM 1381 O SER A 94 -4.555 1.497 -13.198 1.00 1.04 O ATOM 1382 CB SER A 94 -2.647 3.946 -13.327 1.00 1.16 C ATOM 1383 OG SER A 94 -3.161 4.756 -12.284 1.00 2.36 O ATOM 0 H SER A 94 -2.320 1.594 -14.738 1.00 0.81 H new ATOM 0 HA SER A 94 -1.734 2.563 -11.992 1.00 0.77 H new ATOM 0 HB2 SER A 94 -1.717 4.376 -13.697 1.00 1.16 H new ATOM 0 HB3 SER A 94 -3.349 3.938 -14.161 1.00 1.16 H new ATOM 0 HG SER A 94 -2.728 4.514 -11.439 1.00 2.36 H new ATOM 1389 N LEU A 95 -3.770 1.587 -11.078 1.00 0.64 N ATOM 1390 CA LEU A 95 -4.761 0.716 -10.428 1.00 0.59 C ATOM 1391 C LEU A 95 -5.610 1.466 -9.391 1.00 0.57 C ATOM 1392 O LEU A 95 -5.209 2.516 -8.877 1.00 0.59 O ATOM 1393 CB LEU A 95 -4.050 -0.471 -9.727 1.00 0.52 C ATOM 1394 CG LEU A 95 -2.678 -0.948 -10.238 1.00 0.78 C ATOM 1395 CD1 LEU A 95 -2.076 -1.941 -9.241 1.00 0.70 C ATOM 1396 CD2 LEU A 95 -2.804 -1.643 -11.581 1.00 1.17 C ATOM 0 H LEU A 95 -3.131 2.018 -10.410 1.00 0.64 H new ATOM 0 HA LEU A 95 -5.425 0.355 -11.213 1.00 0.59 H new ATOM 0 HB2 LEU A 95 -3.932 -0.205 -8.677 1.00 0.52 H new ATOM 0 HB3 LEU A 95 -4.727 -1.325 -9.766 1.00 0.52 H new ATOM 0 HG LEU A 95 -2.039 -0.071 -10.346 1.00 0.78 H new ATOM 0 HD11 LEU A 95 -1.105 -2.278 -9.604 1.00 0.70 H new ATOM 0 HD12 LEU A 95 -1.953 -1.455 -8.273 1.00 0.70 H new ATOM 0 HD13 LEU A 95 -2.741 -2.798 -9.135 1.00 0.70 H new ATOM 0 HD21 LEU A 95 -1.819 -1.968 -11.916 1.00 1.17 H new ATOM 0 HD22 LEU A 95 -3.458 -2.509 -11.482 1.00 1.17 H new ATOM 0 HD23 LEU A 95 -3.225 -0.951 -12.311 1.00 1.17 H new ATOM 1408 N LEU A 96 -6.753 0.874 -9.036 1.00 0.57 N ATOM 1409 CA LEU A 96 -7.654 1.350 -7.977 1.00 0.58 C ATOM 1410 C LEU A 96 -7.692 0.339 -6.820 1.00 0.51 C ATOM 1411 O LEU A 96 -8.091 -0.813 -7.010 1.00 0.54 O ATOM 1412 CB LEU A 96 -9.065 1.598 -8.552 1.00 0.75 C ATOM 1413 CG LEU A 96 -9.257 2.947 -9.270 1.00 1.00 C ATOM 1414 CD1 LEU A 96 -8.377 3.143 -10.508 1.00 1.75 C ATOM 1415 CD2 LEU A 96 -10.700 3.085 -9.739 1.00 1.73 C ATOM 0 H LEU A 96 -7.089 0.025 -9.490 1.00 0.57 H new ATOM 0 HA LEU A 96 -7.279 2.295 -7.585 1.00 0.58 H new ATOM 0 HB2 LEU A 96 -9.300 0.796 -9.252 1.00 0.75 H new ATOM 0 HB3 LEU A 96 -9.787 1.532 -7.738 1.00 0.75 H new ATOM 0 HG LEU A 96 -8.975 3.696 -8.530 1.00 1.00 H new ATOM 0 HD11 LEU A 96 -8.580 4.119 -10.948 1.00 1.75 H new ATOM 0 HD12 LEU A 96 -7.327 3.086 -10.221 1.00 1.75 H new ATOM 0 HD13 LEU A 96 -8.597 2.364 -11.238 1.00 1.75 H new ATOM 0 HD21 LEU A 96 -10.828 4.041 -10.246 1.00 1.73 H new ATOM 0 HD22 LEU A 96 -10.938 2.275 -10.428 1.00 1.73 H new ATOM 0 HD23 LEU A 96 -11.368 3.038 -8.879 1.00 1.73 H new ATOM 1427 N ILE A 97 -7.292 0.781 -5.622 1.00 0.49 N ATOM 1428 CA ILE A 97 -7.337 0.002 -4.377 1.00 0.48 C ATOM 1429 C ILE A 97 -8.567 0.409 -3.555 1.00 0.45 C ATOM 1430 O ILE A 97 -8.702 1.573 -3.177 1.00 0.49 O ATOM 1431 CB ILE A 97 -6.049 0.172 -3.529 1.00 0.66 C ATOM 1432 CG1 ILE A 97 -4.721 0.046 -4.305 1.00 0.91 C ATOM 1433 CG2 ILE A 97 -6.020 -0.906 -2.426 1.00 0.72 C ATOM 1434 CD1 ILE A 97 -4.253 1.316 -5.024 1.00 1.54 C ATOM 0 H ILE A 97 -6.916 1.720 -5.487 1.00 0.49 H new ATOM 0 HA ILE A 97 -7.406 -1.051 -4.650 1.00 0.48 H new ATOM 0 HB ILE A 97 -6.105 1.191 -3.146 1.00 0.66 H new ATOM 0 HG12 ILE A 97 -3.942 -0.264 -3.609 1.00 0.91 H new ATOM 0 HG13 ILE A 97 -4.825 -0.750 -5.042 1.00 0.91 H new ATOM 0 HG21 ILE A 97 -5.116 -0.790 -1.828 1.00 0.72 H new ATOM 0 HG22 ILE A 97 -6.895 -0.796 -1.786 1.00 0.72 H new ATOM 0 HG23 ILE A 97 -6.028 -1.895 -2.884 1.00 0.72 H new ATOM 0 HD11 ILE A 97 -3.312 1.118 -5.537 1.00 1.54 H new ATOM 0 HD12 ILE A 97 -5.006 1.621 -5.751 1.00 1.54 H new ATOM 0 HD13 ILE A 97 -4.108 2.114 -4.296 1.00 1.54 H new ATOM 1446 N CYS A 98 -9.438 -0.541 -3.213 1.00 0.51 N ATOM 1447 CA CYS A 98 -10.524 -0.307 -2.258 1.00 0.68 C ATOM 1448 C CYS A 98 -9.999 -0.439 -0.819 1.00 0.83 C ATOM 1449 O CYS A 98 -9.651 -1.534 -0.363 1.00 0.98 O ATOM 1450 CB CYS A 98 -11.739 -1.192 -2.597 1.00 0.81 C ATOM 1451 SG CYS A 98 -11.384 -2.980 -2.573 1.00 1.57 S ATOM 0 H CYS A 98 -9.412 -1.490 -3.587 1.00 0.51 H new ATOM 0 HA CYS A 98 -10.891 0.716 -2.338 1.00 0.68 H new ATOM 0 HB2 CYS A 98 -12.538 -0.981 -1.887 1.00 0.81 H new ATOM 0 HB3 CYS A 98 -12.110 -0.919 -3.585 1.00 0.81 H new ATOM 0 HG CYS A 98 -10.173 -3.188 -2.997 1.00 1.57 H new ATOM 1457 N ALA A 99 -9.884 0.678 -0.096 1.00 0.84 N ATOM 1458 CA ALA A 99 -9.240 0.694 1.215 1.00 0.90 C ATOM 1459 C ALA A 99 -10.192 0.159 2.294 1.00 0.99 C ATOM 1460 O ALA A 99 -11.217 0.780 2.596 1.00 1.02 O ATOM 1461 CB ALA A 99 -8.736 2.109 1.521 1.00 0.89 C ATOM 0 H ALA A 99 -10.232 1.587 -0.401 1.00 0.84 H new ATOM 0 HA ALA A 99 -8.376 0.029 1.209 1.00 0.90 H new ATOM 0 HB1 ALA A 99 -8.256 2.120 2.499 1.00 0.89 H new ATOM 0 HB2 ALA A 99 -8.017 2.412 0.760 1.00 0.89 H new ATOM 0 HB3 ALA A 99 -9.577 2.803 1.522 1.00 0.89 H new ATOM 1467 N THR A 100 -9.833 -0.992 2.868 1.00 1.13 N ATOM 1468 CA THR A 100 -10.588 -1.680 3.936 1.00 1.20 C ATOM 1469 C THR A 100 -9.848 -1.660 5.287 1.00 1.14 C ATOM 1470 O THR A 100 -10.382 -2.098 6.304 1.00 1.13 O ATOM 1471 CB THR A 100 -10.972 -3.098 3.459 1.00 1.39 C ATOM 1472 OG1 THR A 100 -12.112 -3.594 4.121 1.00 2.92 O ATOM 1473 CG2 THR A 100 -9.860 -4.134 3.622 1.00 1.72 C ATOM 0 H THR A 100 -8.985 -1.491 2.600 1.00 1.13 H new ATOM 0 HA THR A 100 -11.511 -1.134 4.128 1.00 1.20 H new ATOM 0 HB THR A 100 -11.172 -2.964 2.396 1.00 1.39 H new ATOM 0 HG1 THR A 100 -12.319 -4.492 3.787 1.00 2.92 H new ATOM 0 HG21 THR A 100 -10.210 -5.102 3.264 1.00 1.72 H new ATOM 0 HG22 THR A 100 -8.989 -3.827 3.044 1.00 1.72 H new ATOM 0 HG23 THR A 100 -9.588 -4.213 4.674 1.00 1.72 H new ATOM 1481 N HIS A 101 -8.639 -1.090 5.320 1.00 1.12 N ATOM 1482 CA HIS A 101 -7.771 -0.935 6.488 1.00 1.12 C ATOM 1483 C HIS A 101 -7.131 0.469 6.468 1.00 1.08 C ATOM 1484 O HIS A 101 -6.778 0.974 5.400 1.00 1.09 O ATOM 1485 CB HIS A 101 -6.673 -2.013 6.428 1.00 1.32 C ATOM 1486 CG HIS A 101 -7.140 -3.449 6.447 1.00 1.44 C ATOM 1487 ND1 HIS A 101 -6.618 -4.446 5.661 1.00 1.49 N ATOM 1488 CD2 HIS A 101 -8.018 -4.043 7.316 1.00 1.69 C ATOM 1489 CE1 HIS A 101 -7.164 -5.614 6.026 1.00 1.65 C ATOM 1490 NE2 HIS A 101 -8.027 -5.425 7.043 1.00 1.72 N ATOM 0 H HIS A 101 -8.215 -0.701 4.478 1.00 1.12 H new ATOM 0 HA HIS A 101 -8.348 -1.047 7.406 1.00 1.12 H new ATOM 0 HB2 HIS A 101 -6.089 -1.856 5.521 1.00 1.32 H new ATOM 0 HB3 HIS A 101 -5.999 -1.862 7.271 1.00 1.32 H new ATOM 0 HD1 HIS A 101 -5.928 -4.319 4.921 1.00 1.49 H new ATOM 0 HD2 HIS A 101 -8.599 -3.541 8.075 1.00 1.69 H new ATOM 0 HE1 HIS A 101 -6.944 -6.568 5.571 1.00 1.65 H new ATOM 1498 N VAL A 102 -6.978 1.101 7.636 1.00 1.08 N ATOM 1499 CA VAL A 102 -6.238 2.373 7.817 1.00 1.12 C ATOM 1500 C VAL A 102 -4.737 2.152 8.062 1.00 1.16 C ATOM 1501 O VAL A 102 -4.280 1.012 8.119 1.00 1.30 O ATOM 1502 CB VAL A 102 -6.889 3.244 8.908 1.00 1.19 C ATOM 1503 CG1 VAL A 102 -8.293 3.659 8.476 1.00 1.85 C ATOM 1504 CG2 VAL A 102 -6.968 2.558 10.270 1.00 1.80 C ATOM 0 H VAL A 102 -7.370 0.742 8.506 1.00 1.08 H new ATOM 0 HA VAL A 102 -6.307 2.922 6.878 1.00 1.12 H new ATOM 0 HB VAL A 102 -6.245 4.116 9.025 1.00 1.19 H new ATOM 0 HG11 VAL A 102 -8.746 4.275 9.253 1.00 1.85 H new ATOM 0 HG12 VAL A 102 -8.235 4.230 7.549 1.00 1.85 H new ATOM 0 HG13 VAL A 102 -8.902 2.769 8.317 1.00 1.85 H new ATOM 0 HG21 VAL A 102 -7.437 3.230 10.989 1.00 1.80 H new ATOM 0 HG22 VAL A 102 -7.560 1.647 10.185 1.00 1.80 H new ATOM 0 HG23 VAL A 102 -5.963 2.307 10.610 1.00 1.80 H new ATOM 1514 N GLY A 103 -3.937 3.216 8.216 1.00 1.20 N ATOM 1515 CA GLY A 103 -2.484 3.090 8.423 1.00 1.27 C ATOM 1516 C GLY A 103 -2.109 2.372 9.725 1.00 1.33 C ATOM 1517 O GLY A 103 -1.240 1.503 9.713 1.00 1.39 O ATOM 0 H GLY A 103 -4.272 4.179 8.201 1.00 1.20 H new ATOM 0 HA2 GLY A 103 -2.051 2.549 7.582 1.00 1.27 H new ATOM 0 HA3 GLY A 103 -2.038 4.085 8.425 1.00 1.27 H new ATOM 1521 N ALA A 104 -2.826 2.628 10.820 1.00 1.41 N ATOM 1522 CA ALA A 104 -2.679 1.898 12.086 1.00 1.53 C ATOM 1523 C ALA A 104 -3.009 0.391 11.962 1.00 1.43 C ATOM 1524 O ALA A 104 -2.435 -0.446 12.659 1.00 1.47 O ATOM 1525 CB ALA A 104 -3.609 2.574 13.100 1.00 1.83 C ATOM 0 H ALA A 104 -3.537 3.359 10.856 1.00 1.41 H new ATOM 0 HA ALA A 104 -1.637 1.938 12.404 1.00 1.53 H new ATOM 0 HB1 ALA A 104 -3.533 2.063 14.060 1.00 1.83 H new ATOM 0 HB2 ALA A 104 -3.319 3.618 13.220 1.00 1.83 H new ATOM 0 HB3 ALA A 104 -4.637 2.522 12.742 1.00 1.83 H new ATOM 1531 N ASP A 105 -3.941 0.061 11.069 1.00 1.41 N ATOM 1532 CA ASP A 105 -4.381 -1.284 10.671 1.00 1.53 C ATOM 1533 C ASP A 105 -3.375 -2.013 9.733 1.00 1.37 C ATOM 1534 O ASP A 105 -3.586 -3.169 9.348 1.00 1.71 O ATOM 1535 CB ASP A 105 -5.819 -1.151 10.134 1.00 1.73 C ATOM 1536 CG ASP A 105 -6.719 -2.381 10.297 1.00 2.02 C ATOM 1537 OD1 ASP A 105 -6.229 -3.499 10.576 1.00 2.47 O ATOM 1538 OD2 ASP A 105 -7.952 -2.216 10.149 1.00 3.04 O ATOM 0 H ASP A 105 -4.452 0.783 10.561 1.00 1.41 H new ATOM 0 HA ASP A 105 -4.396 -1.956 11.529 1.00 1.53 H new ATOM 0 HB2 ASP A 105 -6.296 -0.309 10.636 1.00 1.73 H new ATOM 0 HB3 ASP A 105 -5.767 -0.902 9.074 1.00 1.73 H new ATOM 1543 N THR A 106 -2.282 -1.360 9.304 1.00 1.05 N ATOM 1544 CA THR A 106 -1.304 -1.956 8.369 1.00 1.07 C ATOM 1545 C THR A 106 -0.456 -3.074 8.975 1.00 1.07 C ATOM 1546 O THR A 106 0.044 -2.963 10.096 1.00 1.03 O ATOM 1547 CB THR A 106 -0.354 -0.943 7.708 1.00 1.09 C ATOM 1548 OG1 THR A 106 0.399 -0.202 8.640 1.00 1.64 O ATOM 1549 CG2 THR A 106 -1.087 -0.005 6.757 1.00 1.38 C ATOM 0 H THR A 106 -2.049 -0.409 9.592 1.00 1.05 H new ATOM 0 HA THR A 106 -1.956 -2.378 7.604 1.00 1.07 H new ATOM 0 HB THR A 106 0.347 -1.543 7.128 1.00 1.09 H new ATOM 0 HG1 THR A 106 -0.045 0.655 8.812 1.00 1.64 H new ATOM 0 HG21 THR A 106 -0.376 0.692 6.314 1.00 1.38 H new ATOM 0 HG22 THR A 106 -1.564 -0.587 5.968 1.00 1.38 H new ATOM 0 HG23 THR A 106 -1.846 0.551 7.307 1.00 1.38 H new ATOM 1557 N THR A 107 -0.187 -4.119 8.186 1.00 1.21 N ATOM 1558 CA THR A 107 0.679 -5.241 8.598 1.00 1.25 C ATOM 1559 C THR A 107 2.117 -4.787 8.890 1.00 1.15 C ATOM 1560 O THR A 107 2.740 -5.263 9.832 1.00 1.11 O ATOM 1561 CB THR A 107 0.614 -6.391 7.577 1.00 1.46 C ATOM 1562 OG1 THR A 107 1.248 -7.530 8.098 1.00 1.87 O ATOM 1563 CG2 THR A 107 1.263 -6.091 6.227 1.00 1.90 C ATOM 0 H THR A 107 -0.561 -4.216 7.242 1.00 1.21 H new ATOM 0 HA THR A 107 0.294 -5.628 9.541 1.00 1.25 H new ATOM 0 HB THR A 107 -0.451 -6.544 7.402 1.00 1.46 H new ATOM 0 HG1 THR A 107 1.202 -8.258 7.444 1.00 1.87 H new ATOM 0 HG21 THR A 107 1.167 -6.960 5.576 1.00 1.90 H new ATOM 0 HG22 THR A 107 0.767 -5.236 5.767 1.00 1.90 H new ATOM 0 HG23 THR A 107 2.319 -5.863 6.374 1.00 1.90 H new ATOM 1571 N LEU A 108 2.613 -3.757 8.190 1.00 1.15 N ATOM 1572 CA LEU A 108 3.902 -3.105 8.476 1.00 1.07 C ATOM 1573 C LEU A 108 3.975 -2.597 9.921 1.00 0.92 C ATOM 1574 O LEU A 108 4.951 -2.862 10.624 1.00 0.90 O ATOM 1575 CB LEU A 108 4.095 -1.891 7.553 1.00 1.16 C ATOM 1576 CG LEU A 108 4.487 -2.170 6.095 1.00 0.90 C ATOM 1577 CD1 LEU A 108 3.474 -3.009 5.327 1.00 1.47 C ATOM 1578 CD2 LEU A 108 4.571 -0.818 5.408 1.00 0.90 C ATOM 0 H LEU A 108 2.123 -3.346 7.396 1.00 1.15 H new ATOM 0 HA LEU A 108 4.677 -3.854 8.313 1.00 1.07 H new ATOM 0 HB2 LEU A 108 3.167 -1.319 7.549 1.00 1.16 H new ATOM 0 HB3 LEU A 108 4.861 -1.252 7.992 1.00 1.16 H new ATOM 0 HG LEU A 108 5.421 -2.732 6.102 1.00 0.90 H new ATOM 0 HD11 LEU A 108 3.826 -3.160 4.307 1.00 1.47 H new ATOM 0 HD12 LEU A 108 3.356 -3.975 5.817 1.00 1.47 H new ATOM 0 HD13 LEU A 108 2.514 -2.493 5.307 1.00 1.47 H new ATOM 0 HD21 LEU A 108 4.848 -0.957 4.363 1.00 0.90 H new ATOM 0 HD22 LEU A 108 3.603 -0.321 5.464 1.00 0.90 H new ATOM 0 HD23 LEU A 108 5.323 -0.204 5.904 1.00 0.90 H new ATOM 1590 N SER A 109 2.927 -1.893 10.361 1.00 0.90 N ATOM 1591 CA SER A 109 2.807 -1.415 11.740 1.00 0.89 C ATOM 1592 C SER A 109 2.696 -2.596 12.707 1.00 0.93 C ATOM 1593 O SER A 109 3.291 -2.562 13.779 1.00 0.99 O ATOM 1594 CB SER A 109 1.600 -0.480 11.905 1.00 1.04 C ATOM 1595 OG SER A 109 1.714 0.652 11.057 1.00 1.82 O ATOM 0 H SER A 109 2.137 -1.639 9.768 1.00 0.90 H new ATOM 0 HA SER A 109 3.708 -0.848 11.975 1.00 0.89 H new ATOM 0 HB2 SER A 109 0.682 -1.021 11.674 1.00 1.04 H new ATOM 0 HB3 SER A 109 1.526 -0.155 12.943 1.00 1.04 H new ATOM 0 HG SER A 109 1.291 0.458 10.194 1.00 1.82 H new ATOM 1601 N GLN A 110 2.010 -3.676 12.319 1.00 0.97 N ATOM 1602 CA GLN A 110 1.853 -4.863 13.177 1.00 1.02 C ATOM 1603 C GLN A 110 3.186 -5.604 13.400 1.00 1.01 C ATOM 1604 O GLN A 110 3.490 -6.003 14.524 1.00 1.07 O ATOM 1605 CB GLN A 110 0.767 -5.791 12.607 1.00 1.12 C ATOM 1606 CG GLN A 110 0.402 -6.941 13.554 1.00 1.26 C ATOM 1607 CD GLN A 110 -0.467 -6.426 14.682 1.00 1.38 C ATOM 1608 OE1 GLN A 110 -0.017 -6.121 15.777 1.00 1.42 O ATOM 1609 NE2 GLN A 110 -1.736 -6.247 14.421 1.00 1.60 N ATOM 0 H GLN A 110 1.551 -3.756 11.412 1.00 0.97 H new ATOM 0 HA GLN A 110 1.530 -4.524 14.161 1.00 1.02 H new ATOM 0 HB2 GLN A 110 -0.128 -5.206 12.394 1.00 1.12 H new ATOM 0 HB3 GLN A 110 1.111 -6.204 11.659 1.00 1.12 H new ATOM 0 HG2 GLN A 110 -0.125 -7.722 13.005 1.00 1.26 H new ATOM 0 HG3 GLN A 110 1.308 -7.392 13.959 1.00 1.26 H new ATOM 0 HE21 GLN A 110 -2.110 -6.502 13.507 1.00 1.60 H new ATOM 0 HE22 GLN A 110 -2.352 -5.852 15.132 1.00 1.60 H new ATOM 1618 N ILE A 111 4.009 -5.729 12.355 1.00 0.98 N ATOM 1619 CA ILE A 111 5.334 -6.367 12.413 1.00 1.00 C ATOM 1620 C ILE A 111 6.221 -5.639 13.430 1.00 0.95 C ATOM 1621 O ILE A 111 6.768 -6.277 14.334 1.00 1.02 O ATOM 1622 CB ILE A 111 5.969 -6.417 10.999 1.00 1.05 C ATOM 1623 CG1 ILE A 111 5.203 -7.415 10.096 1.00 1.18 C ATOM 1624 CG2 ILE A 111 7.460 -6.808 11.049 1.00 1.11 C ATOM 1625 CD1 ILE A 111 5.467 -7.224 8.595 1.00 1.26 C ATOM 0 H ILE A 111 3.771 -5.384 11.425 1.00 0.98 H new ATOM 0 HA ILE A 111 5.231 -7.398 12.752 1.00 1.00 H new ATOM 0 HB ILE A 111 5.896 -5.413 10.580 1.00 1.05 H new ATOM 0 HG12 ILE A 111 5.480 -8.431 10.377 1.00 1.18 H new ATOM 0 HG13 ILE A 111 4.134 -7.313 10.283 1.00 1.18 H new ATOM 0 HG21 ILE A 111 7.864 -6.831 10.037 1.00 1.11 H new ATOM 0 HG22 ILE A 111 8.008 -6.076 11.642 1.00 1.11 H new ATOM 0 HG23 ILE A 111 7.563 -7.794 11.503 1.00 1.11 H new ATOM 0 HD11 ILE A 111 4.896 -7.959 8.029 1.00 1.26 H new ATOM 0 HD12 ILE A 111 5.163 -6.221 8.297 1.00 1.26 H new ATOM 0 HD13 ILE A 111 6.530 -7.356 8.393 1.00 1.26 H new ATOM 1637 N VAL A 112 6.334 -4.307 13.326 1.00 0.90 N ATOM 1638 CA VAL A 112 7.154 -3.520 14.264 1.00 0.94 C ATOM 1639 C VAL A 112 6.543 -3.428 15.663 1.00 1.10 C ATOM 1640 O VAL A 112 7.303 -3.467 16.625 1.00 1.18 O ATOM 1641 CB VAL A 112 7.556 -2.134 13.728 1.00 0.94 C ATOM 1642 CG1 VAL A 112 8.216 -2.267 12.354 1.00 0.89 C ATOM 1643 CG2 VAL A 112 6.391 -1.147 13.606 1.00 1.00 C ATOM 0 H VAL A 112 5.871 -3.752 12.606 1.00 0.90 H new ATOM 0 HA VAL A 112 8.080 -4.088 14.357 1.00 0.94 H new ATOM 0 HB VAL A 112 8.249 -1.732 14.467 1.00 0.94 H new ATOM 0 HG11 VAL A 112 8.495 -1.279 11.987 1.00 0.89 H new ATOM 0 HG12 VAL A 112 9.108 -2.888 12.437 1.00 0.89 H new ATOM 0 HG13 VAL A 112 7.516 -2.728 11.657 1.00 0.89 H new ATOM 0 HG21 VAL A 112 6.759 -0.196 13.222 1.00 1.00 H new ATOM 0 HG22 VAL A 112 5.643 -1.550 12.923 1.00 1.00 H new ATOM 0 HG23 VAL A 112 5.941 -0.992 14.587 1.00 1.00 H new