USER MOD reduce.3.24.130724 H: found=0, std=0, add=901, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 897 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 110 GLN : amide:sc= -0.21 X(o=-0.21,f=-0.66) USER MOD Set 1.2: A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 100 THR OG1 : rot 68:sc= 0.578 USER MOD Set 2.2: A 101 HIS : no HE2:sc= 1.06 K(o=1.6,f=-2.5!) USER MOD Set 3.1: A 16 THR OG1 : rot 180:sc= 0.146 USER MOD Set 3.2: A 31 GLN : amide:sc= 0.0495 X(o=0.2,f=0) USER MOD Set 4.1: A 11 GLN : amide:sc= 0.586 X(o=0.76,f=0.91) USER MOD Set 4.2: A 109 SER OG : rot 90:sc= 0.175 USER MOD Single : A 1 SER N :NH3+ -154:sc= 0.0118 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0.0107 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 74:sc= 0.12 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 160:sc= 1.28 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -0.184 X(o=-0.18,f=-0.47) 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+ -178:sc= 1.18 (180deg=1.17) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HD1:sc= -0.279 X(o=-0.28,f=-0.36) USER MOD Single : A 62 SER OG : rot 129:sc= 0.43 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 177:sc= 1.13 USER MOD Single : A 74 MET CE :methyl 176:sc= 0 (180deg=-0.0153) USER MOD Single : A 78 LYS NZ :NH3+ 158:sc= 0.896 (180deg=0.597) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 150:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot -85:sc= 1.02 USER MOD Single : A 90 ASN : amide:sc= 1.04 K(o=1,f=-1.5) USER MOD Single : A 91 GLN : amide:sc= -0.0963 X(o=-0.096,f=-0.096) USER MOD Single : A 92 ASN : amide:sc= 0.34 X(o=0.34,f=-0.019) USER MOD Single : A 94 SER OG : rot 41:sc= 1.29 USER MOD Single : A 98 CYS SG : rot -46:sc= 0.548 USER MOD Single : A 106 THR OG1 : rot -91:sc= 1.3 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 GLN : amide:sc= -0.248 X(o=-0.25,f=-0.0048) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 18.205 -4.662 12.692 1.00 2.06 N ATOM 2 CA SER A 1 17.914 -3.432 13.444 1.00 1.90 C ATOM 3 C SER A 1 17.800 -2.170 12.577 1.00 1.80 C ATOM 4 O SER A 1 17.220 -1.181 13.025 1.00 1.80 O ATOM 5 CB SER A 1 18.970 -3.245 14.533 1.00 2.24 C ATOM 6 OG SER A 1 20.243 -3.155 13.931 1.00 3.70 O ATOM 0 H1 SER A 1 17.845 -5.484 13.218 1.00 2.06 H new ATOM 0 H2 SER A 1 17.743 -4.617 11.761 1.00 2.06 H new ATOM 0 H3 SER A 1 19.233 -4.756 12.564 1.00 2.06 H new ATOM 0 HA SER A 1 16.926 -3.563 13.885 1.00 1.90 H new ATOM 0 HB2 SER A 1 18.761 -2.343 15.108 1.00 2.24 H new ATOM 0 HB3 SER A 1 18.942 -4.082 15.231 1.00 2.24 H new ATOM 0 HG SER A 1 20.925 -3.033 14.624 1.00 3.70 H new ATOM 12 N GLU A 2 18.275 -2.185 11.326 1.00 1.96 N ATOM 13 CA GLU A 2 18.019 -1.108 10.354 1.00 1.90 C ATOM 14 C GLU A 2 16.664 -1.315 9.659 1.00 1.59 C ATOM 15 O GLU A 2 15.943 -0.348 9.393 1.00 1.51 O ATOM 16 CB GLU A 2 19.162 -0.994 9.326 1.00 2.34 C ATOM 17 CG GLU A 2 20.515 -0.661 9.974 1.00 2.23 C ATOM 18 CD GLU A 2 21.615 -0.369 8.944 1.00 3.16 C ATOM 19 OE1 GLU A 2 21.360 0.305 7.914 1.00 4.10 O ATOM 20 OE2 GLU A 2 22.793 -0.725 9.188 1.00 3.88 O ATOM 0 H GLU A 2 18.848 -2.943 10.956 1.00 1.96 H new ATOM 0 HA GLU A 2 17.979 -0.166 10.901 1.00 1.90 H new ATOM 0 HB2 GLU A 2 19.248 -1.933 8.779 1.00 2.34 H new ATOM 0 HB3 GLU A 2 18.914 -0.222 8.597 1.00 2.34 H new ATOM 0 HG2 GLU A 2 20.396 0.204 10.627 1.00 2.23 H new ATOM 0 HG3 GLU A 2 20.826 -1.495 10.603 1.00 2.23 H new ATOM 27 N ALA A 3 16.252 -2.571 9.456 1.00 1.52 N ATOM 28 CA ALA A 3 14.908 -2.913 8.991 1.00 1.35 C ATOM 29 C ALA A 3 13.813 -2.471 9.984 1.00 1.01 C ATOM 30 O ALA A 3 12.731 -2.062 9.563 1.00 0.99 O ATOM 31 CB ALA A 3 14.847 -4.420 8.718 1.00 1.55 C ATOM 0 H ALA A 3 16.848 -3.384 9.612 1.00 1.52 H new ATOM 0 HA ALA A 3 14.709 -2.368 8.068 1.00 1.35 H new ATOM 0 HB1 ALA A 3 13.849 -4.687 8.371 1.00 1.55 H new ATOM 0 HB2 ALA A 3 15.579 -4.681 7.954 1.00 1.55 H new ATOM 0 HB3 ALA A 3 15.070 -4.965 9.635 1.00 1.55 H new ATOM 37 N LEU A 4 14.119 -2.451 11.290 1.00 1.00 N ATOM 38 CA LEU A 4 13.206 -1.956 12.332 1.00 0.95 C ATOM 39 C LEU A 4 12.863 -0.463 12.135 1.00 0.99 C ATOM 40 O LEU A 4 11.749 -0.040 12.448 1.00 1.18 O ATOM 41 CB LEU A 4 13.827 -2.220 13.719 1.00 1.15 C ATOM 42 CG LEU A 4 12.823 -2.094 14.882 1.00 1.24 C ATOM 43 CD1 LEU A 4 11.980 -3.359 15.009 1.00 1.34 C ATOM 44 CD2 LEU A 4 13.546 -1.895 16.213 1.00 1.69 C ATOM 0 H LEU A 4 15.013 -2.780 11.655 1.00 1.00 H new ATOM 0 HA LEU A 4 12.262 -2.497 12.257 1.00 0.95 H new ATOM 0 HB2 LEU A 4 14.258 -3.221 13.730 1.00 1.15 H new ATOM 0 HB3 LEU A 4 14.646 -1.519 13.880 1.00 1.15 H new ATOM 0 HG LEU A 4 12.192 -1.233 14.661 1.00 1.24 H new ATOM 0 HD11 LEU A 4 11.279 -3.247 15.836 1.00 1.34 H new ATOM 0 HD12 LEU A 4 11.427 -3.522 14.084 1.00 1.34 H new ATOM 0 HD13 LEU A 4 12.631 -4.213 15.198 1.00 1.34 H new ATOM 0 HD21 LEU A 4 12.814 -1.809 17.016 1.00 1.69 H new ATOM 0 HD22 LEU A 4 14.196 -2.748 16.405 1.00 1.69 H new ATOM 0 HD23 LEU A 4 14.145 -0.985 16.169 1.00 1.69 H new ATOM 56 N ALA A 5 13.802 0.329 11.603 1.00 1.05 N ATOM 57 CA ALA A 5 13.541 1.690 11.138 1.00 1.16 C ATOM 58 C ALA A 5 12.812 1.717 9.775 1.00 0.92 C ATOM 59 O ALA A 5 11.879 2.505 9.588 1.00 0.92 O ATOM 60 CB ALA A 5 14.860 2.473 11.122 1.00 1.47 C ATOM 0 H ALA A 5 14.772 0.037 11.484 1.00 1.05 H new ATOM 0 HA ALA A 5 12.856 2.177 11.832 1.00 1.16 H new ATOM 0 HB1 ALA A 5 14.675 3.490 10.776 1.00 1.47 H new ATOM 0 HB2 ALA A 5 15.278 2.502 12.128 1.00 1.47 H new ATOM 0 HB3 ALA A 5 15.565 1.984 10.450 1.00 1.47 H new ATOM 66 N LYS A 6 13.211 0.848 8.826 1.00 0.83 N ATOM 67 CA LYS A 6 12.696 0.816 7.442 1.00 0.77 C ATOM 68 C LYS A 6 11.192 0.543 7.366 1.00 0.68 C ATOM 69 O LYS A 6 10.518 1.167 6.553 1.00 0.75 O ATOM 70 CB LYS A 6 13.507 -0.201 6.612 1.00 0.91 C ATOM 71 CG LYS A 6 13.261 -0.088 5.096 1.00 1.14 C ATOM 72 CD LYS A 6 14.338 -0.807 4.260 1.00 1.48 C ATOM 73 CE LYS A 6 13.940 -0.755 2.779 1.00 2.09 C ATOM 74 NZ LYS A 6 15.041 -1.113 1.848 1.00 2.57 N ATOM 0 H LYS A 6 13.916 0.133 9.004 1.00 0.83 H new ATOM 0 HA LYS A 6 12.828 1.811 7.016 1.00 0.77 H new ATOM 0 HB2 LYS A 6 14.569 -0.057 6.812 1.00 0.91 H new ATOM 0 HB3 LYS A 6 13.255 -1.210 6.939 1.00 0.91 H new ATOM 0 HG2 LYS A 6 12.283 -0.508 4.859 1.00 1.14 H new ATOM 0 HG3 LYS A 6 13.232 0.965 4.815 1.00 1.14 H new ATOM 0 HD2 LYS A 6 15.308 -0.331 4.406 1.00 1.48 H new ATOM 0 HD3 LYS A 6 14.439 -1.842 4.586 1.00 1.48 H new ATOM 0 HE2 LYS A 6 13.103 -1.433 2.614 1.00 2.09 H new ATOM 0 HE3 LYS A 6 13.589 0.249 2.542 1.00 2.09 H new ATOM 0 HZ1 LYS A 6 14.699 -1.056 0.868 1.00 2.57 H new ATOM 0 HZ2 LYS A 6 15.834 -0.452 1.977 1.00 2.57 H new ATOM 0 HZ3 LYS A 6 15.362 -2.082 2.047 1.00 2.57 H new ATOM 88 N LEU A 7 10.635 -0.310 8.233 1.00 0.68 N ATOM 89 CA LEU A 7 9.190 -0.605 8.250 1.00 0.78 C ATOM 90 C LEU A 7 8.311 0.639 8.518 1.00 0.92 C ATOM 91 O LEU A 7 7.208 0.742 7.974 1.00 1.16 O ATOM 92 CB LEU A 7 8.902 -1.737 9.260 1.00 0.75 C ATOM 93 CG LEU A 7 8.913 -3.186 8.723 1.00 0.72 C ATOM 94 CD1 LEU A 7 8.005 -3.366 7.510 1.00 0.89 C ATOM 95 CD2 LEU A 7 10.298 -3.692 8.332 1.00 0.72 C ATOM 0 H LEU A 7 11.167 -0.816 8.941 1.00 0.68 H new ATOM 0 HA LEU A 7 8.914 -0.938 7.249 1.00 0.78 H new ATOM 0 HB2 LEU A 7 9.637 -1.669 10.062 1.00 0.75 H new ATOM 0 HB3 LEU A 7 7.925 -1.550 9.707 1.00 0.75 H new ATOM 0 HG LEU A 7 8.547 -3.771 9.567 1.00 0.72 H new ATOM 0 HD11 LEU A 7 8.050 -4.401 7.173 1.00 0.89 H new ATOM 0 HD12 LEU A 7 6.980 -3.117 7.783 1.00 0.89 H new ATOM 0 HD13 LEU A 7 8.336 -2.708 6.707 1.00 0.89 H new ATOM 0 HD21 LEU A 7 10.221 -4.716 7.965 1.00 0.72 H new ATOM 0 HD22 LEU A 7 10.710 -3.056 7.549 1.00 0.72 H new ATOM 0 HD23 LEU A 7 10.954 -3.667 9.202 1.00 0.72 H new ATOM 107 N ILE A 8 8.781 1.600 9.322 1.00 0.89 N ATOM 108 CA ILE A 8 8.141 2.922 9.452 1.00 1.00 C ATOM 109 C ILE A 8 8.415 3.814 8.228 1.00 0.87 C ATOM 110 O ILE A 8 7.501 4.480 7.742 1.00 0.89 O ATOM 111 CB ILE A 8 8.522 3.595 10.791 1.00 1.18 C ATOM 112 CG1 ILE A 8 7.986 2.809 12.012 1.00 1.41 C ATOM 113 CG2 ILE A 8 8.037 5.055 10.856 1.00 1.30 C ATOM 114 CD1 ILE A 8 6.458 2.656 12.099 1.00 1.61 C ATOM 0 H ILE A 8 9.613 1.487 9.901 1.00 0.89 H new ATOM 0 HA ILE A 8 7.061 2.773 9.474 1.00 1.00 H new ATOM 0 HB ILE A 8 9.611 3.589 10.833 1.00 1.18 H new ATOM 0 HG12 ILE A 8 8.431 1.814 12.002 1.00 1.41 H new ATOM 0 HG13 ILE A 8 8.334 3.304 12.919 1.00 1.41 H new ATOM 0 HG21 ILE A 8 8.325 5.492 11.812 1.00 1.30 H new ATOM 0 HG22 ILE A 8 8.491 5.625 10.046 1.00 1.30 H new ATOM 0 HG23 ILE A 8 6.952 5.083 10.756 1.00 1.30 H new ATOM 0 HD11 ILE A 8 6.199 2.089 12.993 1.00 1.61 H new ATOM 0 HD12 ILE A 8 5.996 3.642 12.148 1.00 1.61 H new ATOM 0 HD13 ILE A 8 6.094 2.128 11.217 1.00 1.61 H new ATOM 126 N SER A 9 9.630 3.799 7.671 1.00 0.81 N ATOM 127 CA SER A 9 10.014 4.630 6.511 1.00 0.82 C ATOM 128 C SER A 9 9.229 4.286 5.236 1.00 0.89 C ATOM 129 O SER A 9 8.896 5.183 4.453 1.00 1.07 O ATOM 130 CB SER A 9 11.511 4.469 6.222 1.00 0.90 C ATOM 131 OG SER A 9 12.272 4.759 7.380 1.00 1.02 O ATOM 0 H SER A 9 10.387 3.206 8.012 1.00 0.81 H new ATOM 0 HA SER A 9 9.777 5.659 6.781 1.00 0.82 H new ATOM 0 HB2 SER A 9 11.716 3.451 5.890 1.00 0.90 H new ATOM 0 HB3 SER A 9 11.805 5.135 5.410 1.00 0.90 H new ATOM 0 HG SER A 9 12.185 4.023 8.021 1.00 1.02 H new ATOM 137 N LEU A 10 8.874 3.004 5.085 1.00 0.87 N ATOM 138 CA LEU A 10 8.091 2.406 3.999 1.00 1.05 C ATOM 139 C LEU A 10 6.645 2.916 3.913 1.00 1.19 C ATOM 140 O LEU A 10 6.029 2.834 2.849 1.00 1.39 O ATOM 141 CB LEU A 10 8.066 0.880 4.253 1.00 1.17 C ATOM 142 CG LEU A 10 9.224 0.143 3.564 1.00 1.23 C ATOM 143 CD1 LEU A 10 9.503 -1.206 4.221 1.00 1.87 C ATOM 144 CD2 LEU A 10 8.847 -0.150 2.115 1.00 1.31 C ATOM 0 H LEU A 10 9.149 2.304 5.774 1.00 0.87 H new ATOM 0 HA LEU A 10 8.562 2.680 3.055 1.00 1.05 H new ATOM 0 HB2 LEU A 10 8.110 0.694 5.326 1.00 1.17 H new ATOM 0 HB3 LEU A 10 7.119 0.473 3.898 1.00 1.17 H new ATOM 0 HG LEU A 10 10.103 0.783 3.640 1.00 1.23 H new ATOM 0 HD11 LEU A 10 10.328 -1.698 3.706 1.00 1.87 H new ATOM 0 HD12 LEU A 10 9.767 -1.053 5.267 1.00 1.87 H new ATOM 0 HD13 LEU A 10 8.613 -1.832 4.159 1.00 1.87 H new ATOM 0 HD21 LEU A 10 9.668 -0.673 1.624 1.00 1.31 H new ATOM 0 HD22 LEU A 10 7.953 -0.773 2.091 1.00 1.31 H new ATOM 0 HD23 LEU A 10 8.650 0.787 1.594 1.00 1.31 H new ATOM 156 N GLN A 11 6.089 3.414 5.017 1.00 1.17 N ATOM 157 CA GLN A 11 4.702 3.873 5.083 1.00 1.34 C ATOM 158 C GLN A 11 4.606 5.285 4.487 1.00 1.41 C ATOM 159 O GLN A 11 5.298 6.203 4.926 1.00 1.64 O ATOM 160 CB GLN A 11 4.198 3.687 6.521 1.00 1.42 C ATOM 161 CG GLN A 11 3.883 2.193 6.702 1.00 1.33 C ATOM 162 CD GLN A 11 3.498 1.871 8.126 1.00 1.63 C ATOM 163 OE1 GLN A 11 2.344 1.942 8.521 1.00 2.15 O ATOM 164 NE2 GLN A 11 4.449 1.522 8.954 1.00 2.37 N ATOM 0 H GLN A 11 6.593 3.511 5.898 1.00 1.17 H new ATOM 0 HA GLN A 11 4.022 3.282 4.469 1.00 1.34 H new ATOM 0 HB2 GLN A 11 4.952 4.011 7.238 1.00 1.42 H new ATOM 0 HB3 GLN A 11 3.309 4.292 6.698 1.00 1.42 H new ATOM 0 HG2 GLN A 11 3.071 1.909 6.033 1.00 1.33 H new ATOM 0 HG3 GLN A 11 4.753 1.601 6.418 1.00 1.33 H new ATOM 0 HE21 GLN A 11 5.413 1.462 8.627 1.00 2.37 H new ATOM 0 HE22 GLN A 11 4.226 1.310 9.927 1.00 2.37 H new ATOM 173 N ALA A 12 3.777 5.432 3.450 1.00 1.29 N ATOM 174 CA ALA A 12 3.730 6.587 2.551 1.00 1.22 C ATOM 175 C ALA A 12 3.295 7.926 3.174 1.00 1.18 C ATOM 176 O ALA A 12 3.588 8.975 2.598 1.00 2.43 O ATOM 177 CB ALA A 12 2.821 6.219 1.372 1.00 1.31 C ATOM 0 H ALA A 12 3.091 4.718 3.204 1.00 1.29 H new ATOM 0 HA ALA A 12 4.758 6.781 2.246 1.00 1.22 H new ATOM 0 HB1 ALA A 12 2.763 7.060 0.681 1.00 1.31 H new ATOM 0 HB2 ALA A 12 3.230 5.351 0.855 1.00 1.31 H new ATOM 0 HB3 ALA A 12 1.823 5.984 1.742 1.00 1.31 H new ATOM 183 N THR A 13 2.602 7.924 4.315 1.00 2.24 N ATOM 184 CA THR A 13 2.111 9.128 5.034 1.00 2.28 C ATOM 185 C THR A 13 1.011 9.936 4.310 1.00 1.96 C ATOM 186 O THR A 13 0.237 10.634 4.966 1.00 1.95 O ATOM 187 CB THR A 13 3.272 10.045 5.486 1.00 2.66 C ATOM 188 OG1 THR A 13 4.368 9.294 5.974 1.00 3.49 O ATOM 189 CG2 THR A 13 2.885 10.973 6.639 1.00 3.07 C ATOM 0 H THR A 13 2.352 7.057 4.791 1.00 2.24 H new ATOM 0 HA THR A 13 1.618 8.720 5.916 1.00 2.28 H new ATOM 0 HB THR A 13 3.526 10.617 4.593 1.00 2.66 H new ATOM 0 HG1 THR A 13 5.085 9.903 6.250 1.00 3.49 H new ATOM 0 HG21 THR A 13 3.740 11.591 6.911 1.00 3.07 H new ATOM 0 HG22 THR A 13 2.059 11.613 6.329 1.00 3.07 H new ATOM 0 HG23 THR A 13 2.580 10.377 7.499 1.00 3.07 H new ATOM 197 N GLU A 14 0.853 9.819 2.988 1.00 1.77 N ATOM 198 CA GLU A 14 -0.206 10.486 2.211 1.00 1.63 C ATOM 199 C GLU A 14 -1.017 9.540 1.311 1.00 1.59 C ATOM 200 O GLU A 14 -0.517 8.514 0.846 1.00 1.59 O ATOM 201 CB GLU A 14 0.354 11.684 1.434 1.00 1.67 C ATOM 202 CG GLU A 14 1.289 11.390 0.255 1.00 1.70 C ATOM 203 CD GLU A 14 1.721 12.701 -0.422 1.00 1.87 C ATOM 204 OE1 GLU A 14 0.833 13.487 -0.842 1.00 3.04 O ATOM 205 OE2 GLU A 14 2.948 12.951 -0.543 1.00 2.26 O ATOM 0 H GLU A 14 1.470 9.246 2.412 1.00 1.77 H new ATOM 0 HA GLU A 14 -0.925 10.857 2.941 1.00 1.63 H new ATOM 0 HB2 GLU A 14 -0.489 12.264 1.058 1.00 1.67 H new ATOM 0 HB3 GLU A 14 0.891 12.320 2.138 1.00 1.67 H new ATOM 0 HG2 GLU A 14 2.167 10.847 0.605 1.00 1.70 H new ATOM 0 HG3 GLU A 14 0.784 10.749 -0.467 1.00 1.70 H new ATOM 212 N ALA A 15 -2.277 9.901 1.043 1.00 1.57 N ATOM 213 CA ALA A 15 -3.226 9.118 0.250 1.00 1.61 C ATOM 214 C ALA A 15 -3.955 10.005 -0.778 1.00 1.43 C ATOM 215 O ALA A 15 -4.250 11.169 -0.501 1.00 1.51 O ATOM 216 CB ALA A 15 -4.201 8.422 1.207 1.00 1.68 C ATOM 0 H ALA A 15 -2.675 10.776 1.384 1.00 1.57 H new ATOM 0 HA ALA A 15 -2.694 8.360 -0.326 1.00 1.61 H new ATOM 0 HB1 ALA A 15 -4.916 7.833 0.633 1.00 1.68 H new ATOM 0 HB2 ALA A 15 -3.646 7.766 1.878 1.00 1.68 H new ATOM 0 HB3 ALA A 15 -4.734 9.172 1.792 1.00 1.68 H new ATOM 222 N THR A 16 -4.244 9.448 -1.959 1.00 1.22 N ATOM 223 CA THR A 16 -4.771 10.198 -3.117 1.00 1.01 C ATOM 224 C THR A 16 -6.155 9.688 -3.554 1.00 0.61 C ATOM 225 O THR A 16 -6.278 8.678 -4.245 1.00 0.60 O ATOM 226 CB THR A 16 -3.740 10.202 -4.256 1.00 1.47 C ATOM 227 OG1 THR A 16 -2.507 10.713 -3.773 1.00 1.97 O ATOM 228 CG2 THR A 16 -4.168 11.082 -5.430 1.00 1.63 C ATOM 0 H THR A 16 -4.119 8.453 -2.145 1.00 1.22 H new ATOM 0 HA THR A 16 -4.930 11.234 -2.818 1.00 1.01 H new ATOM 0 HB THR A 16 -3.649 9.172 -4.602 1.00 1.47 H new ATOM 0 HG1 THR A 16 -1.847 10.715 -4.498 1.00 1.97 H new ATOM 0 HG21 THR A 16 -3.404 11.049 -6.207 1.00 1.63 H new ATOM 0 HG22 THR A 16 -5.112 10.716 -5.834 1.00 1.63 H new ATOM 0 HG23 THR A 16 -4.293 12.109 -5.088 1.00 1.63 H new ATOM 236 N ILE A 17 -7.206 10.381 -3.112 1.00 0.51 N ATOM 237 CA ILE A 17 -8.625 10.012 -3.234 1.00 0.54 C ATOM 238 C ILE A 17 -9.184 10.379 -4.616 1.00 0.69 C ATOM 239 O ILE A 17 -8.946 11.484 -5.097 1.00 0.81 O ATOM 240 CB ILE A 17 -9.456 10.696 -2.110 1.00 0.64 C ATOM 241 CG1 ILE A 17 -8.862 10.419 -0.711 1.00 0.62 C ATOM 242 CG2 ILE A 17 -10.932 10.258 -2.187 1.00 0.94 C ATOM 243 CD1 ILE A 17 -9.667 10.977 0.472 1.00 0.76 C ATOM 0 H ILE A 17 -7.086 11.271 -2.629 1.00 0.51 H new ATOM 0 HA ILE A 17 -8.702 8.930 -3.123 1.00 0.54 H new ATOM 0 HB ILE A 17 -9.409 11.773 -2.269 1.00 0.64 H new ATOM 0 HG12 ILE A 17 -8.763 9.341 -0.584 1.00 0.62 H new ATOM 0 HG13 ILE A 17 -7.856 10.838 -0.673 1.00 0.62 H new ATOM 0 HG21 ILE A 17 -11.498 10.746 -1.394 1.00 0.94 H new ATOM 0 HG22 ILE A 17 -11.346 10.541 -3.155 1.00 0.94 H new ATOM 0 HG23 ILE A 17 -10.997 9.177 -2.067 1.00 0.94 H new ATOM 0 HD11 ILE A 17 -9.163 10.727 1.405 1.00 0.76 H new ATOM 0 HD12 ILE A 17 -9.745 12.060 0.381 1.00 0.76 H new ATOM 0 HD13 ILE A 17 -10.666 10.540 0.471 1.00 0.76 H new ATOM 255 N VAL A 18 -9.970 9.480 -5.223 1.00 0.75 N ATOM 256 CA VAL A 18 -10.774 9.775 -6.430 1.00 0.88 C ATOM 257 C VAL A 18 -12.232 10.133 -6.093 1.00 1.30 C ATOM 258 O VAL A 18 -12.836 9.545 -5.190 1.00 1.62 O ATOM 259 CB VAL A 18 -10.692 8.670 -7.500 1.00 0.77 C ATOM 260 CG1 VAL A 18 -9.303 8.604 -8.140 1.00 1.99 C ATOM 261 CG2 VAL A 18 -11.022 7.273 -6.980 1.00 1.87 C ATOM 0 H VAL A 18 -10.071 8.520 -4.893 1.00 0.75 H new ATOM 0 HA VAL A 18 -10.319 10.662 -6.871 1.00 0.88 H new ATOM 0 HB VAL A 18 -11.448 8.955 -8.231 1.00 0.77 H new ATOM 0 HG11 VAL A 18 -9.285 7.813 -8.889 1.00 1.99 H new ATOM 0 HG12 VAL A 18 -9.075 9.558 -8.615 1.00 1.99 H new ATOM 0 HG13 VAL A 18 -8.558 8.394 -7.372 1.00 1.99 H new ATOM 0 HG21 VAL A 18 -10.941 6.553 -7.795 1.00 1.87 H new ATOM 0 HG22 VAL A 18 -10.323 7.005 -6.188 1.00 1.87 H new ATOM 0 HG23 VAL A 18 -12.038 7.262 -6.586 1.00 1.87 H new ATOM 271 N THR A 19 -12.811 11.084 -6.836 1.00 1.50 N ATOM 272 CA THR A 19 -14.110 11.734 -6.570 1.00 2.02 C ATOM 273 C THR A 19 -14.931 11.919 -7.856 1.00 2.04 C ATOM 274 O THR A 19 -14.553 12.679 -8.750 1.00 2.04 O ATOM 275 CB THR A 19 -13.883 13.088 -5.871 1.00 2.52 C ATOM 276 OG1 THR A 19 -13.319 12.862 -4.597 1.00 2.36 O ATOM 277 CG2 THR A 19 -15.180 13.861 -5.629 1.00 3.29 C ATOM 0 H THR A 19 -12.368 11.442 -7.682 1.00 1.50 H new ATOM 0 HA THR A 19 -14.685 11.082 -5.913 1.00 2.02 H new ATOM 0 HB THR A 19 -13.236 13.667 -6.530 1.00 2.52 H new ATOM 0 HG1 THR A 19 -12.885 13.682 -4.281 1.00 2.36 H new ATOM 0 HG21 THR A 19 -14.954 14.805 -5.134 1.00 3.29 H new ATOM 0 HG22 THR A 19 -15.669 14.059 -6.583 1.00 3.29 H new ATOM 0 HG23 THR A 19 -15.843 13.270 -4.997 1.00 3.29 H new ATOM 285 N LEU A 20 -16.090 11.256 -7.951 1.00 2.15 N ATOM 286 CA LEU A 20 -17.021 11.362 -9.084 1.00 2.26 C ATOM 287 C LEU A 20 -18.208 12.258 -8.706 1.00 2.33 C ATOM 288 O LEU A 20 -19.306 11.771 -8.423 1.00 2.65 O ATOM 289 CB LEU A 20 -17.486 9.996 -9.617 1.00 2.51 C ATOM 290 CG LEU A 20 -16.402 9.030 -10.125 1.00 2.71 C ATOM 291 CD1 LEU A 20 -15.414 8.493 -9.089 1.00 3.82 C ATOM 292 CD2 LEU A 20 -17.147 7.818 -10.656 1.00 2.07 C ATOM 0 H LEU A 20 -16.415 10.616 -7.226 1.00 2.15 H new ATOM 0 HA LEU A 20 -16.477 11.824 -9.908 1.00 2.26 H new ATOM 0 HB2 LEU A 20 -18.039 9.495 -8.823 1.00 2.51 H new ATOM 0 HB3 LEU A 20 -18.188 10.173 -10.432 1.00 2.51 H new ATOM 0 HG LEU A 20 -15.805 9.596 -10.840 1.00 2.71 H new ATOM 0 HD11 LEU A 20 -14.704 7.825 -9.576 1.00 3.82 H new ATOM 0 HD12 LEU A 20 -14.876 9.325 -8.634 1.00 3.82 H new ATOM 0 HD13 LEU A 20 -15.957 7.946 -8.318 1.00 3.82 H new ATOM 0 HD21 LEU A 20 -16.431 7.088 -11.035 1.00 2.07 H new ATOM 0 HD22 LEU A 20 -17.732 7.370 -9.853 1.00 2.07 H new ATOM 0 HD23 LEU A 20 -17.813 8.125 -11.462 1.00 2.07 H new ATOM 304 N ASP A 21 -17.997 13.575 -8.712 1.00 2.48 N ATOM 305 CA ASP A 21 -19.065 14.562 -8.442 1.00 2.63 C ATOM 306 C ASP A 21 -20.095 14.661 -9.587 1.00 2.86 C ATOM 307 O ASP A 21 -21.203 15.164 -9.380 1.00 2.98 O ATOM 308 CB ASP A 21 -18.465 15.955 -8.158 1.00 2.74 C ATOM 309 CG ASP A 21 -19.144 16.677 -6.993 1.00 3.12 C ATOM 310 OD1 ASP A 21 -19.404 16.062 -5.933 1.00 3.10 O ATOM 311 OD2 ASP A 21 -19.430 17.890 -7.140 1.00 4.28 O ATOM 0 H ASP A 21 -17.087 13.995 -8.903 1.00 2.48 H new ATOM 0 HA ASP A 21 -19.594 14.205 -7.559 1.00 2.63 H new ATOM 0 HB2 ASP A 21 -17.402 15.848 -7.941 1.00 2.74 H new ATOM 0 HB3 ASP A 21 -18.547 16.569 -9.055 1.00 2.74 H new ATOM 316 N SER A 22 -19.725 14.157 -10.772 1.00 3.15 N ATOM 317 CA SER A 22 -20.537 14.059 -11.992 1.00 3.55 C ATOM 318 C SER A 22 -20.185 12.769 -12.760 1.00 4.18 C ATOM 319 O SER A 22 -19.005 12.470 -12.940 1.00 5.27 O ATOM 320 CB SER A 22 -20.313 15.272 -12.903 1.00 3.74 C ATOM 321 OG SER A 22 -20.495 16.503 -12.223 1.00 3.55 O ATOM 0 H SER A 22 -18.787 13.782 -10.913 1.00 3.15 H new ATOM 0 HA SER A 22 -21.586 14.035 -11.696 1.00 3.55 H new ATOM 0 HB2 SER A 22 -19.304 15.233 -13.313 1.00 3.74 H new ATOM 0 HB3 SER A 22 -21.002 15.221 -13.746 1.00 3.74 H new ATOM 0 HG SER A 22 -20.340 17.246 -12.844 1.00 3.55 H new ATOM 327 N ASP A 23 -21.225 12.023 -13.151 1.00 3.89 N ATOM 328 CA ASP A 23 -21.356 10.657 -13.725 1.00 4.31 C ATOM 329 C ASP A 23 -20.109 10.043 -14.414 1.00 4.46 C ATOM 330 O ASP A 23 -20.113 9.790 -15.616 1.00 4.90 O ATOM 331 CB ASP A 23 -22.589 10.662 -14.662 1.00 4.68 C ATOM 332 CG ASP A 23 -23.265 9.293 -14.765 1.00 5.01 C ATOM 333 OD1 ASP A 23 -22.827 8.427 -15.558 1.00 5.86 O ATOM 334 OD2 ASP A 23 -24.247 9.048 -14.029 1.00 4.89 O ATOM 0 H ASP A 23 -22.157 12.427 -13.059 1.00 3.89 H new ATOM 0 HA ASP A 23 -21.478 9.984 -12.876 1.00 4.31 H new ATOM 0 HB2 ASP A 23 -23.312 11.392 -14.298 1.00 4.68 H new ATOM 0 HB3 ASP A 23 -22.282 10.986 -15.657 1.00 4.68 H new ATOM 339 N ASN A 24 -19.025 9.812 -13.660 1.00 4.25 N ATOM 340 CA ASN A 24 -17.655 9.480 -14.116 1.00 4.41 C ATOM 341 C ASN A 24 -16.993 10.565 -15.004 1.00 4.51 C ATOM 342 O ASN A 24 -15.773 10.710 -14.974 1.00 4.78 O ATOM 343 CB ASN A 24 -17.586 8.080 -14.771 1.00 4.94 C ATOM 344 CG ASN A 24 -18.046 6.935 -13.914 1.00 4.33 C ATOM 345 OD1 ASN A 24 -17.282 6.183 -13.320 1.00 4.63 O ATOM 346 ND2 ASN A 24 -19.323 6.736 -13.843 1.00 4.33 N ATOM 0 H ASN A 24 -19.079 9.854 -12.642 1.00 4.25 H new ATOM 0 HA ASN A 24 -17.056 9.455 -13.206 1.00 4.41 H new ATOM 0 HB2 ASN A 24 -18.188 8.094 -15.679 1.00 4.94 H new ATOM 0 HB3 ASN A 24 -16.556 7.892 -15.074 1.00 4.94 H new ATOM 0 HD21 ASN A 24 -19.688 5.957 -13.295 1.00 4.33 H new ATOM 0 HD22 ASN A 24 -19.964 7.358 -14.335 1.00 4.33 H new ATOM 353 N ILE A 25 -17.779 11.390 -15.700 1.00 4.41 N ATOM 354 CA ILE A 25 -17.463 12.518 -16.606 1.00 4.52 C ATOM 355 C ILE A 25 -16.647 13.686 -16.015 1.00 4.27 C ATOM 356 O ILE A 25 -16.453 14.716 -16.663 1.00 4.39 O ATOM 357 CB ILE A 25 -18.806 13.031 -17.190 1.00 4.59 C ATOM 358 CG1 ILE A 25 -19.857 13.359 -16.111 1.00 4.19 C ATOM 359 CG2 ILE A 25 -19.308 11.998 -18.208 1.00 5.05 C ATOM 360 CD1 ILE A 25 -21.082 14.107 -16.646 1.00 4.37 C ATOM 0 H ILE A 25 -18.790 11.273 -15.638 1.00 4.41 H new ATOM 0 HA ILE A 25 -16.789 12.118 -17.364 1.00 4.52 H new ATOM 0 HB ILE A 25 -18.633 13.985 -17.688 1.00 4.59 H new ATOM 0 HG12 ILE A 25 -20.186 12.431 -15.644 1.00 4.19 H new ATOM 0 HG13 ILE A 25 -19.388 13.960 -15.332 1.00 4.19 H new ATOM 0 HG21 ILE A 25 -20.253 12.336 -18.634 1.00 5.05 H new ATOM 0 HG22 ILE A 25 -18.572 11.884 -19.004 1.00 5.05 H new ATOM 0 HG23 ILE A 25 -19.457 11.040 -17.711 1.00 5.05 H new ATOM 0 HD11 ILE A 25 -21.775 14.302 -15.828 1.00 4.37 H new ATOM 0 HD12 ILE A 25 -20.767 15.053 -17.087 1.00 4.37 H new ATOM 0 HD13 ILE A 25 -21.577 13.500 -17.404 1.00 4.37 H new ATOM 372 N LEU A 26 -16.193 13.547 -14.774 1.00 4.05 N ATOM 373 CA LEU A 26 -15.388 14.522 -14.027 1.00 3.80 C ATOM 374 C LEU A 26 -14.121 13.909 -13.395 1.00 3.81 C ATOM 375 O LEU A 26 -13.073 14.552 -13.392 1.00 5.44 O ATOM 376 CB LEU A 26 -16.334 15.111 -12.968 1.00 3.44 C ATOM 377 CG LEU A 26 -15.679 16.016 -11.916 1.00 3.21 C ATOM 378 CD1 LEU A 26 -15.231 17.360 -12.462 1.00 3.74 C ATOM 379 CD2 LEU A 26 -16.701 16.298 -10.833 1.00 2.92 C ATOM 0 H LEU A 26 -16.384 12.707 -14.228 1.00 4.05 H new ATOM 0 HA LEU A 26 -15.000 15.291 -14.696 1.00 3.80 H new ATOM 0 HB2 LEU A 26 -17.110 15.682 -13.478 1.00 3.44 H new ATOM 0 HB3 LEU A 26 -16.830 14.288 -12.454 1.00 3.44 H new ATOM 0 HG LEU A 26 -14.796 15.489 -11.554 1.00 3.21 H new ATOM 0 HD11 LEU A 26 -14.778 17.945 -11.662 1.00 3.74 H new ATOM 0 HD12 LEU A 26 -14.501 17.205 -13.256 1.00 3.74 H new ATOM 0 HD13 LEU A 26 -16.092 17.896 -12.860 1.00 3.74 H new ATOM 0 HD21 LEU A 26 -16.257 16.941 -10.073 1.00 2.92 H new ATOM 0 HD22 LEU A 26 -17.566 16.797 -11.270 1.00 2.92 H new ATOM 0 HD23 LEU A 26 -17.016 15.360 -10.376 1.00 2.92 H new ATOM 391 N LEU A 27 -14.267 12.695 -12.848 1.00 2.26 N ATOM 392 CA LEU A 27 -13.270 11.885 -12.118 1.00 1.92 C ATOM 393 C LEU A 27 -12.119 12.730 -11.513 1.00 2.11 C ATOM 394 O LEU A 27 -10.978 12.696 -11.985 1.00 2.92 O ATOM 395 CB LEU A 27 -12.787 10.742 -13.037 1.00 1.85 C ATOM 396 CG LEU A 27 -11.856 9.697 -12.385 1.00 2.67 C ATOM 397 CD1 LEU A 27 -12.492 9.017 -11.171 1.00 3.37 C ATOM 398 CD2 LEU A 27 -11.522 8.614 -13.410 1.00 2.72 C ATOM 0 H LEU A 27 -15.161 12.208 -12.907 1.00 2.26 H new ATOM 0 HA LEU A 27 -13.746 11.443 -11.243 1.00 1.92 H new ATOM 0 HB2 LEU A 27 -13.662 10.225 -13.431 1.00 1.85 H new ATOM 0 HB3 LEU A 27 -12.267 11.182 -13.888 1.00 1.85 H new ATOM 0 HG LEU A 27 -10.964 10.228 -12.051 1.00 2.67 H new ATOM 0 HD11 LEU A 27 -11.794 8.292 -10.752 1.00 3.37 H new ATOM 0 HD12 LEU A 27 -12.731 9.767 -10.417 1.00 3.37 H new ATOM 0 HD13 LEU A 27 -13.405 8.506 -11.477 1.00 3.37 H new ATOM 0 HD21 LEU A 27 -10.865 7.873 -12.955 1.00 2.72 H new ATOM 0 HD22 LEU A 27 -12.441 8.130 -13.740 1.00 2.72 H new ATOM 0 HD23 LEU A 27 -11.022 9.066 -14.267 1.00 2.72 H new ATOM 410 N SER A 28 -12.434 13.554 -10.511 1.00 1.83 N ATOM 411 CA SER A 28 -11.481 14.444 -9.843 1.00 1.96 C ATOM 412 C SER A 28 -10.617 13.667 -8.847 1.00 1.73 C ATOM 413 O SER A 28 -11.044 12.643 -8.318 1.00 1.77 O ATOM 414 CB SER A 28 -12.247 15.561 -9.122 1.00 2.28 C ATOM 415 OG SER A 28 -12.798 16.476 -10.056 1.00 2.59 O ATOM 0 H SER A 28 -13.379 13.623 -10.133 1.00 1.83 H new ATOM 0 HA SER A 28 -10.821 14.881 -10.593 1.00 1.96 H new ATOM 0 HB2 SER A 28 -13.043 15.130 -8.515 1.00 2.28 H new ATOM 0 HB3 SER A 28 -11.577 16.087 -8.442 1.00 2.28 H new ATOM 0 HG SER A 28 -13.284 17.180 -9.577 1.00 2.59 H new ATOM 421 N GLU A 29 -9.409 14.163 -8.572 1.00 1.62 N ATOM 422 CA GLU A 29 -8.497 13.576 -7.578 1.00 1.38 C ATOM 423 C GLU A 29 -8.058 14.590 -6.500 1.00 1.31 C ATOM 424 O GLU A 29 -7.904 15.789 -6.771 1.00 1.42 O ATOM 425 CB GLU A 29 -7.298 12.863 -8.237 1.00 1.45 C ATOM 426 CG GLU A 29 -7.640 11.852 -9.352 1.00 1.56 C ATOM 427 CD GLU A 29 -7.246 12.317 -10.763 1.00 1.73 C ATOM 428 OE1 GLU A 29 -7.785 13.332 -11.260 1.00 2.31 O ATOM 429 OE2 GLU A 29 -6.418 11.642 -11.426 1.00 2.59 O ATOM 0 H GLU A 29 -9.030 14.989 -9.034 1.00 1.62 H new ATOM 0 HA GLU A 29 -9.068 12.809 -7.055 1.00 1.38 H new ATOM 0 HB2 GLU A 29 -6.634 13.621 -8.653 1.00 1.45 H new ATOM 0 HB3 GLU A 29 -6.739 12.341 -7.460 1.00 1.45 H new ATOM 0 HG2 GLU A 29 -7.138 10.908 -9.139 1.00 1.56 H new ATOM 0 HG3 GLU A 29 -8.712 11.654 -9.332 1.00 1.56 H new ATOM 436 N GLU A 30 -7.840 14.120 -5.268 1.00 1.17 N ATOM 437 CA GLU A 30 -7.558 14.914 -4.056 1.00 0.99 C ATOM 438 C GLU A 30 -6.435 14.255 -3.237 1.00 0.87 C ATOM 439 O GLU A 30 -6.436 13.037 -3.082 1.00 0.72 O ATOM 440 CB GLU A 30 -8.813 15.041 -3.156 1.00 0.94 C ATOM 441 CG GLU A 30 -10.142 15.193 -3.913 1.00 1.26 C ATOM 442 CD GLU A 30 -11.367 15.423 -3.017 1.00 1.50 C ATOM 443 OE1 GLU A 30 -11.269 15.914 -1.865 1.00 2.44 O ATOM 444 OE2 GLU A 30 -12.498 15.114 -3.465 1.00 2.66 O ATOM 0 H GLU A 30 -7.855 13.119 -5.073 1.00 1.17 H new ATOM 0 HA GLU A 30 -7.254 15.908 -4.384 1.00 0.99 H new ATOM 0 HB2 GLU A 30 -8.875 14.160 -2.518 1.00 0.94 H new ATOM 0 HB3 GLU A 30 -8.685 15.902 -2.500 1.00 0.94 H new ATOM 0 HG2 GLU A 30 -10.055 16.028 -4.608 1.00 1.26 H new ATOM 0 HG3 GLU A 30 -10.309 14.297 -4.511 1.00 1.26 H new ATOM 451 N GLN A 31 -5.504 15.026 -2.666 1.00 1.12 N ATOM 452 CA GLN A 31 -4.452 14.492 -1.786 1.00 1.30 C ATOM 453 C GLN A 31 -4.676 14.849 -0.316 1.00 1.27 C ATOM 454 O GLN A 31 -4.857 16.018 0.029 1.00 1.29 O ATOM 455 CB GLN A 31 -3.056 14.919 -2.248 1.00 1.71 C ATOM 456 CG GLN A 31 -2.667 14.278 -3.581 1.00 1.91 C ATOM 457 CD GLN A 31 -1.170 14.192 -3.683 1.00 2.41 C ATOM 458 OE1 GLN A 31 -0.474 15.137 -4.032 1.00 2.84 O ATOM 459 NE2 GLN A 31 -0.639 13.078 -3.249 1.00 2.60 N ATOM 0 H GLN A 31 -5.456 16.036 -2.799 1.00 1.12 H new ATOM 0 HA GLN A 31 -4.515 13.406 -1.862 1.00 1.30 H new ATOM 0 HB2 GLN A 31 -3.024 16.004 -2.346 1.00 1.71 H new ATOM 0 HB3 GLN A 31 -2.324 14.645 -1.488 1.00 1.71 H new ATOM 0 HG2 GLN A 31 -3.104 13.283 -3.658 1.00 1.91 H new ATOM 0 HG3 GLN A 31 -3.065 14.866 -4.408 1.00 1.91 H new ATOM 0 HE21 GLN A 31 -1.239 12.304 -2.964 1.00 2.60 H new ATOM 0 HE22 GLN A 31 0.375 12.983 -3.196 1.00 2.60 H new ATOM 468 N VAL A 32 -4.599 13.840 0.555 1.00 1.29 N ATOM 469 CA VAL A 32 -4.826 13.940 2.005 1.00 1.33 C ATOM 470 C VAL A 32 -3.721 13.228 2.798 1.00 1.45 C ATOM 471 O VAL A 32 -2.854 12.558 2.230 1.00 1.38 O ATOM 472 CB VAL A 32 -6.222 13.393 2.390 1.00 1.26 C ATOM 473 CG1 VAL A 32 -7.357 14.049 1.592 1.00 1.13 C ATOM 474 CG2 VAL A 32 -6.359 11.876 2.223 1.00 1.31 C ATOM 0 H VAL A 32 -4.368 12.891 0.261 1.00 1.29 H new ATOM 0 HA VAL A 32 -4.793 14.997 2.268 1.00 1.33 H new ATOM 0 HB VAL A 32 -6.310 13.645 3.447 1.00 1.26 H new ATOM 0 HG11 VAL A 32 -8.312 13.627 1.904 1.00 1.13 H new ATOM 0 HG12 VAL A 32 -7.358 15.123 1.776 1.00 1.13 H new ATOM 0 HG13 VAL A 32 -7.208 13.864 0.528 1.00 1.13 H new ATOM 0 HG21 VAL A 32 -7.364 11.567 2.512 1.00 1.31 H new ATOM 0 HG22 VAL A 32 -6.182 11.607 1.182 1.00 1.31 H new ATOM 0 HG23 VAL A 32 -5.629 11.373 2.857 1.00 1.31 H new ATOM 484 N ASP A 33 -3.771 13.351 4.125 1.00 1.67 N ATOM 485 CA ASP A 33 -2.940 12.575 5.051 1.00 1.82 C ATOM 486 C ASP A 33 -3.515 11.167 5.291 1.00 1.69 C ATOM 487 O ASP A 33 -4.733 10.972 5.316 1.00 1.63 O ATOM 488 CB ASP A 33 -2.754 13.373 6.343 1.00 2.06 C ATOM 489 CG ASP A 33 -1.898 12.657 7.381 1.00 3.41 C ATOM 490 OD1 ASP A 33 -2.472 11.915 8.212 1.00 4.95 O ATOM 491 OD2 ASP A 33 -0.665 12.859 7.372 1.00 3.51 O ATOM 0 H ASP A 33 -4.399 14.002 4.596 1.00 1.67 H new ATOM 0 HA ASP A 33 -1.957 12.411 4.608 1.00 1.82 H new ATOM 0 HB2 ASP A 33 -2.296 14.333 6.105 1.00 2.06 H new ATOM 0 HB3 ASP A 33 -3.732 13.585 6.774 1.00 2.06 H new ATOM 496 N VAL A 34 -2.634 10.179 5.473 1.00 1.68 N ATOM 497 CA VAL A 34 -3.012 8.760 5.633 1.00 1.59 C ATOM 498 C VAL A 34 -3.841 8.465 6.903 1.00 1.72 C ATOM 499 O VAL A 34 -4.377 7.367 7.049 1.00 1.71 O ATOM 500 CB VAL A 34 -1.776 7.853 5.460 1.00 1.57 C ATOM 501 CG1 VAL A 34 -0.859 7.892 6.683 1.00 1.84 C ATOM 502 CG2 VAL A 34 -2.129 6.401 5.118 1.00 1.53 C ATOM 0 H VAL A 34 -1.627 10.337 5.515 1.00 1.68 H new ATOM 0 HA VAL A 34 -3.707 8.517 4.829 1.00 1.59 H new ATOM 0 HB VAL A 34 -1.241 8.267 4.606 1.00 1.57 H new ATOM 0 HG11 VAL A 34 -0.002 7.239 6.516 1.00 1.84 H new ATOM 0 HG12 VAL A 34 -0.511 8.912 6.845 1.00 1.84 H new ATOM 0 HG13 VAL A 34 -1.409 7.553 7.561 1.00 1.84 H new ATOM 0 HG21 VAL A 34 -1.213 5.820 5.011 1.00 1.53 H new ATOM 0 HG22 VAL A 34 -2.737 5.976 5.917 1.00 1.53 H new ATOM 0 HG23 VAL A 34 -2.688 6.373 4.183 1.00 1.53 H new ATOM 512 N GLU A 35 -4.014 9.423 7.817 1.00 1.92 N ATOM 513 CA GLU A 35 -4.987 9.324 8.920 1.00 2.10 C ATOM 514 C GLU A 35 -6.398 9.787 8.500 1.00 1.95 C ATOM 515 O GLU A 35 -7.402 9.337 9.057 1.00 2.14 O ATOM 516 CB GLU A 35 -4.497 10.199 10.081 1.00 2.40 C ATOM 517 CG GLU A 35 -5.246 9.973 11.398 1.00 2.95 C ATOM 518 CD GLU A 35 -4.968 11.088 12.408 1.00 3.26 C ATOM 519 OE1 GLU A 35 -3.858 11.672 12.412 1.00 2.98 O ATOM 520 OE2 GLU A 35 -5.876 11.406 13.213 1.00 4.56 O ATOM 0 H GLU A 35 -3.484 10.294 7.817 1.00 1.92 H new ATOM 0 HA GLU A 35 -5.060 8.277 9.214 1.00 2.10 H new ATOM 0 HB2 GLU A 35 -3.436 10.008 10.242 1.00 2.40 H new ATOM 0 HB3 GLU A 35 -4.593 11.247 9.797 1.00 2.40 H new ATOM 0 HG2 GLU A 35 -6.317 9.918 11.202 1.00 2.95 H new ATOM 0 HG3 GLU A 35 -4.951 9.014 11.824 1.00 2.95 H new ATOM 527 N LEU A 36 -6.490 10.699 7.526 1.00 1.66 N ATOM 528 CA LEU A 36 -7.709 11.421 7.150 1.00 1.55 C ATOM 529 C LEU A 36 -8.515 10.727 6.046 1.00 1.31 C ATOM 530 O LEU A 36 -9.710 10.995 5.912 1.00 1.42 O ATOM 531 CB LEU A 36 -7.326 12.847 6.704 1.00 1.62 C ATOM 532 CG LEU A 36 -6.504 13.664 7.717 1.00 1.95 C ATOM 533 CD1 LEU A 36 -6.206 15.043 7.132 1.00 2.08 C ATOM 534 CD2 LEU A 36 -7.224 13.853 9.047 1.00 2.13 C ATOM 0 H LEU A 36 -5.686 10.964 6.957 1.00 1.66 H new ATOM 0 HA LEU A 36 -8.355 11.445 8.028 1.00 1.55 H new ATOM 0 HB2 LEU A 36 -6.759 12.778 5.775 1.00 1.62 H new ATOM 0 HB3 LEU A 36 -8.241 13.396 6.479 1.00 1.62 H new ATOM 0 HG LEU A 36 -5.588 13.104 7.907 1.00 1.95 H new ATOM 0 HD11 LEU A 36 -5.624 15.624 7.848 1.00 2.08 H new ATOM 0 HD12 LEU A 36 -5.638 14.931 6.208 1.00 2.08 H new ATOM 0 HD13 LEU A 36 -7.143 15.559 6.922 1.00 2.08 H new ATOM 0 HD21 LEU A 36 -6.596 14.436 9.721 1.00 2.13 H new ATOM 0 HD22 LEU A 36 -8.164 14.379 8.880 1.00 2.13 H new ATOM 0 HD23 LEU A 36 -7.427 12.879 9.492 1.00 2.13 H new ATOM 546 N VAL A 37 -7.888 9.832 5.273 1.00 1.10 N ATOM 547 CA VAL A 37 -8.537 9.056 4.198 1.00 1.09 C ATOM 548 C VAL A 37 -9.573 8.064 4.739 1.00 1.65 C ATOM 549 O VAL A 37 -10.710 8.061 4.264 1.00 3.82 O ATOM 550 CB VAL A 37 -7.491 8.374 3.289 1.00 0.94 C ATOM 551 CG1 VAL A 37 -6.472 7.507 4.045 1.00 1.28 C ATOM 552 CG2 VAL A 37 -8.135 7.510 2.204 1.00 1.26 C ATOM 0 H VAL A 37 -6.896 9.619 5.376 1.00 1.10 H new ATOM 0 HA VAL A 37 -9.091 9.763 3.580 1.00 1.09 H new ATOM 0 HB VAL A 37 -6.961 9.212 2.837 1.00 0.94 H new ATOM 0 HG11 VAL A 37 -5.773 7.064 3.335 1.00 1.28 H new ATOM 0 HG12 VAL A 37 -5.924 8.126 4.756 1.00 1.28 H new ATOM 0 HG13 VAL A 37 -6.995 6.715 4.581 1.00 1.28 H new ATOM 0 HG21 VAL A 37 -7.357 7.053 1.593 1.00 1.26 H new ATOM 0 HG22 VAL A 37 -8.736 6.729 2.670 1.00 1.26 H new ATOM 0 HG23 VAL A 37 -8.773 8.131 1.575 1.00 1.26 H new ATOM 562 N GLN A 38 -9.235 7.308 5.790 1.00 0.87 N ATOM 563 CA GLN A 38 -10.070 6.284 6.432 1.00 0.77 C ATOM 564 C GLN A 38 -10.521 5.119 5.527 1.00 0.69 C ATOM 565 O GLN A 38 -10.435 5.155 4.299 1.00 0.71 O ATOM 566 CB GLN A 38 -11.220 6.940 7.203 1.00 1.00 C ATOM 567 CG GLN A 38 -10.707 7.985 8.206 1.00 2.30 C ATOM 568 CD GLN A 38 -11.853 8.610 8.941 1.00 2.69 C ATOM 569 OE1 GLN A 38 -12.103 8.349 10.110 1.00 3.85 O ATOM 570 NE2 GLN A 38 -12.645 9.392 8.276 1.00 2.38 N ATOM 0 H GLN A 38 -8.324 7.398 6.240 1.00 0.87 H new ATOM 0 HA GLN A 38 -9.420 5.777 7.145 1.00 0.77 H new ATOM 0 HB2 GLN A 38 -11.905 7.415 6.501 1.00 1.00 H new ATOM 0 HB3 GLN A 38 -11.787 6.174 7.733 1.00 1.00 H new ATOM 0 HG2 GLN A 38 -10.026 7.514 8.915 1.00 2.30 H new ATOM 0 HG3 GLN A 38 -10.140 8.754 7.682 1.00 2.30 H new ATOM 0 HE21 GLN A 38 -12.442 9.614 7.301 1.00 2.38 H new ATOM 0 HE22 GLN A 38 -13.471 9.786 8.728 1.00 2.38 H new ATOM 579 N ARG A 39 -11.002 4.049 6.165 1.00 0.74 N ATOM 580 CA ARG A 39 -11.279 2.728 5.559 1.00 0.80 C ATOM 581 C ARG A 39 -12.530 2.617 4.662 1.00 0.90 C ATOM 582 O ARG A 39 -13.107 1.537 4.545 1.00 1.67 O ATOM 583 CB ARG A 39 -11.204 1.663 6.666 1.00 0.92 C ATOM 584 CG ARG A 39 -12.344 1.740 7.694 1.00 0.98 C ATOM 585 CD ARG A 39 -11.941 1.042 8.998 1.00 1.17 C ATOM 586 NE ARG A 39 -13.029 1.073 9.993 1.00 1.32 N ATOM 587 CZ ARG A 39 -13.150 1.871 11.038 1.00 2.37 C ATOM 588 NH1 ARG A 39 -12.305 2.811 11.314 1.00 4.19 N ATOM 589 NH2 ARG A 39 -14.145 1.783 11.861 1.00 2.33 N ATOM 0 H ARG A 39 -11.221 4.072 7.161 1.00 0.74 H new ATOM 0 HA ARG A 39 -10.500 2.554 4.816 1.00 0.80 H new ATOM 0 HB2 ARG A 39 -11.212 0.675 6.205 1.00 0.92 H new ATOM 0 HB3 ARG A 39 -10.252 1.764 7.188 1.00 0.92 H new ATOM 0 HG2 ARG A 39 -12.591 2.783 7.894 1.00 0.98 H new ATOM 0 HG3 ARG A 39 -13.241 1.273 7.287 1.00 0.98 H new ATOM 0 HD2 ARG A 39 -11.670 0.007 8.788 1.00 1.17 H new ATOM 0 HD3 ARG A 39 -11.056 1.526 9.411 1.00 1.17 H new ATOM 0 HE ARG A 39 -13.779 0.396 9.857 1.00 1.32 H new ATOM 0 HH11 ARG A 39 -11.497 2.964 10.710 1.00 4.19 H new ATOM 0 HH12 ARG A 39 -12.447 3.399 12.135 1.00 4.19 H new ATOM 0 HH21 ARG A 39 -14.869 1.080 11.713 1.00 2.33 H new ATOM 0 HH22 ARG A 39 -14.205 2.417 12.658 1.00 2.33 H new ATOM 603 N GLY A 40 -12.953 3.717 4.038 1.00 1.12 N ATOM 604 CA GLY A 40 -14.162 3.793 3.201 1.00 1.17 C ATOM 605 C GLY A 40 -13.988 4.328 1.769 1.00 0.95 C ATOM 606 O GLY A 40 -14.941 4.244 0.992 1.00 0.93 O ATOM 0 H GLY A 40 -12.455 4.605 4.099 1.00 1.12 H new ATOM 0 HA2 GLY A 40 -14.594 2.794 3.139 1.00 1.17 H new ATOM 0 HA3 GLY A 40 -14.889 4.424 3.712 1.00 1.17 H new ATOM 610 N ASP A 41 -12.813 4.852 1.396 1.00 0.98 N ATOM 611 CA ASP A 41 -12.549 5.494 0.088 1.00 0.94 C ATOM 612 C ASP A 41 -11.757 4.612 -0.906 1.00 0.73 C ATOM 613 O ASP A 41 -11.351 3.489 -0.588 1.00 0.73 O ATOM 614 CB ASP A 41 -11.893 6.874 0.316 1.00 1.22 C ATOM 615 CG ASP A 41 -12.952 7.976 0.410 1.00 1.87 C ATOM 616 OD1 ASP A 41 -13.463 8.409 -0.649 1.00 3.08 O ATOM 617 OD2 ASP A 41 -13.299 8.405 1.535 1.00 1.96 O ATOM 0 H ASP A 41 -11.995 4.844 2.006 1.00 0.98 H new ATOM 0 HA ASP A 41 -13.511 5.634 -0.405 1.00 0.94 H new ATOM 0 HB2 ASP A 41 -11.302 6.853 1.232 1.00 1.22 H new ATOM 0 HB3 ASP A 41 -11.206 7.094 -0.501 1.00 1.22 H new ATOM 622 N ILE A 42 -11.569 5.114 -2.134 1.00 0.66 N ATOM 623 CA ILE A 42 -10.873 4.456 -3.251 1.00 0.57 C ATOM 624 C ILE A 42 -9.715 5.338 -3.757 1.00 0.51 C ATOM 625 O ILE A 42 -9.877 6.547 -3.937 1.00 0.53 O ATOM 626 CB ILE A 42 -11.885 4.125 -4.377 1.00 0.66 C ATOM 627 CG1 ILE A 42 -12.962 3.132 -3.874 1.00 0.79 C ATOM 628 CG2 ILE A 42 -11.165 3.564 -5.614 1.00 0.70 C ATOM 629 CD1 ILE A 42 -14.007 2.721 -4.922 1.00 1.64 C ATOM 0 H ILE A 42 -11.916 6.038 -2.390 1.00 0.66 H new ATOM 0 HA ILE A 42 -10.437 3.518 -2.907 1.00 0.57 H new ATOM 0 HB ILE A 42 -12.383 5.051 -4.665 1.00 0.66 H new ATOM 0 HG12 ILE A 42 -12.464 2.234 -3.508 1.00 0.79 H new ATOM 0 HG13 ILE A 42 -13.478 3.579 -3.024 1.00 0.79 H new ATOM 0 HG21 ILE A 42 -11.897 3.339 -6.390 1.00 0.70 H new ATOM 0 HG22 ILE A 42 -10.455 4.302 -5.987 1.00 0.70 H new ATOM 0 HG23 ILE A 42 -10.632 2.652 -5.343 1.00 0.70 H new ATOM 0 HD11 ILE A 42 -14.717 2.025 -4.475 1.00 1.64 H new ATOM 0 HD12 ILE A 42 -14.538 3.606 -5.272 1.00 1.64 H new ATOM 0 HD13 ILE A 42 -13.509 2.240 -5.764 1.00 1.64 H new ATOM 641 N ILE A 43 -8.547 4.728 -3.997 1.00 0.52 N ATOM 642 CA ILE A 43 -7.265 5.386 -4.303 1.00 0.53 C ATOM 643 C ILE A 43 -6.695 4.848 -5.625 1.00 0.51 C ATOM 644 O ILE A 43 -6.473 3.642 -5.754 1.00 0.58 O ATOM 645 CB ILE A 43 -6.275 5.079 -3.144 1.00 0.58 C ATOM 646 CG1 ILE A 43 -6.847 5.367 -1.735 1.00 0.67 C ATOM 647 CG2 ILE A 43 -4.906 5.761 -3.309 1.00 0.64 C ATOM 648 CD1 ILE A 43 -7.335 6.798 -1.483 1.00 0.76 C ATOM 0 H ILE A 43 -8.464 3.711 -3.983 1.00 0.52 H new ATOM 0 HA ILE A 43 -7.414 6.461 -4.404 1.00 0.53 H new ATOM 0 HB ILE A 43 -6.123 4.002 -3.219 1.00 0.58 H new ATOM 0 HG12 ILE A 43 -7.678 4.685 -1.557 1.00 0.67 H new ATOM 0 HG13 ILE A 43 -6.078 5.132 -0.999 1.00 0.67 H new ATOM 0 HG21 ILE A 43 -4.267 5.503 -2.465 1.00 0.64 H new ATOM 0 HG22 ILE A 43 -4.440 5.422 -4.234 1.00 0.64 H new ATOM 0 HG23 ILE A 43 -5.040 6.842 -3.345 1.00 0.64 H new ATOM 0 HD11 ILE A 43 -7.713 6.879 -0.464 1.00 0.76 H new ATOM 0 HD12 ILE A 43 -6.507 7.494 -1.619 1.00 0.76 H new ATOM 0 HD13 ILE A 43 -8.132 7.040 -2.186 1.00 0.76 H new ATOM 660 N LYS A 44 -6.418 5.716 -6.609 1.00 0.64 N ATOM 661 CA LYS A 44 -5.821 5.310 -7.902 1.00 0.75 C ATOM 662 C LYS A 44 -4.311 5.573 -7.968 1.00 0.95 C ATOM 663 O LYS A 44 -3.880 6.717 -7.821 1.00 1.49 O ATOM 664 CB LYS A 44 -6.586 5.936 -9.084 1.00 1.21 C ATOM 665 CG LYS A 44 -6.503 4.975 -10.278 1.00 2.10 C ATOM 666 CD LYS A 44 -7.302 5.405 -11.513 1.00 2.32 C ATOM 667 CE LYS A 44 -7.735 4.114 -12.211 1.00 2.60 C ATOM 668 NZ LYS A 44 -8.289 4.331 -13.564 1.00 3.24 N ATOM 0 H LYS A 44 -6.599 6.717 -6.537 1.00 0.64 H new ATOM 0 HA LYS A 44 -5.928 4.228 -7.982 1.00 0.75 H new ATOM 0 HB2 LYS A 44 -7.626 6.113 -8.811 1.00 1.21 H new ATOM 0 HB3 LYS A 44 -6.156 6.903 -9.345 1.00 1.21 H new ATOM 0 HG2 LYS A 44 -5.457 4.862 -10.562 1.00 2.10 H new ATOM 0 HG3 LYS A 44 -6.855 3.993 -9.960 1.00 2.10 H new ATOM 0 HD2 LYS A 44 -8.168 6.003 -11.228 1.00 2.32 H new ATOM 0 HD3 LYS A 44 -6.694 6.021 -12.175 1.00 2.32 H new ATOM 0 HE2 LYS A 44 -6.878 3.444 -12.281 1.00 2.60 H new ATOM 0 HE3 LYS A 44 -8.483 3.612 -11.597 1.00 2.60 H new ATOM 0 HZ1 LYS A 44 -8.593 3.421 -13.965 1.00 3.24 H new ATOM 0 HZ2 LYS A 44 -9.105 4.973 -13.506 1.00 3.24 H new ATOM 0 HZ3 LYS A 44 -7.560 4.752 -14.174 1.00 3.24 H new ATOM 682 N VAL A 45 -3.508 4.534 -8.208 1.00 0.64 N ATOM 683 CA VAL A 45 -2.028 4.563 -8.171 1.00 0.66 C ATOM 684 C VAL A 45 -1.416 4.652 -9.577 1.00 0.68 C ATOM 685 O VAL A 45 -1.936 4.044 -10.516 1.00 0.71 O ATOM 686 CB VAL A 45 -1.498 3.355 -7.366 1.00 0.62 C ATOM 687 CG1 VAL A 45 -1.553 2.046 -8.154 1.00 0.67 C ATOM 688 CG2 VAL A 45 -0.055 3.534 -6.884 1.00 0.68 C ATOM 0 H VAL A 45 -3.875 3.612 -8.443 1.00 0.64 H new ATOM 0 HA VAL A 45 -1.712 5.472 -7.658 1.00 0.66 H new ATOM 0 HB VAL A 45 -2.168 3.305 -6.508 1.00 0.62 H new ATOM 0 HG11 VAL A 45 -1.168 1.234 -7.537 1.00 0.67 H new ATOM 0 HG12 VAL A 45 -2.585 1.832 -8.433 1.00 0.67 H new ATOM 0 HG13 VAL A 45 -0.945 2.137 -9.054 1.00 0.67 H new ATOM 0 HG21 VAL A 45 0.254 2.650 -6.326 1.00 0.68 H new ATOM 0 HG22 VAL A 45 0.602 3.669 -7.744 1.00 0.68 H new ATOM 0 HG23 VAL A 45 0.007 4.410 -6.239 1.00 0.68 H new ATOM 698 N VAL A 46 -0.322 5.401 -9.742 1.00 0.72 N ATOM 699 CA VAL A 46 0.347 5.631 -11.044 1.00 0.76 C ATOM 700 C VAL A 46 1.418 4.568 -11.372 1.00 0.76 C ATOM 701 O VAL A 46 1.883 3.857 -10.470 1.00 0.78 O ATOM 702 CB VAL A 46 0.937 7.061 -11.132 1.00 0.86 C ATOM 703 CG1 VAL A 46 -0.095 8.124 -10.744 1.00 0.89 C ATOM 704 CG2 VAL A 46 2.201 7.260 -10.289 1.00 1.03 C ATOM 0 H VAL A 46 0.139 5.877 -8.966 1.00 0.72 H new ATOM 0 HA VAL A 46 -0.429 5.532 -11.803 1.00 0.76 H new ATOM 0 HB VAL A 46 1.216 7.181 -12.179 1.00 0.86 H new ATOM 0 HG11 VAL A 46 0.356 9.113 -10.818 1.00 0.89 H new ATOM 0 HG12 VAL A 46 -0.950 8.064 -11.417 1.00 0.89 H new ATOM 0 HG13 VAL A 46 -0.427 7.952 -9.720 1.00 0.89 H new ATOM 0 HG21 VAL A 46 2.556 8.285 -10.401 1.00 1.03 H new ATOM 0 HG22 VAL A 46 1.973 7.068 -9.241 1.00 1.03 H new ATOM 0 HG23 VAL A 46 2.975 6.569 -10.625 1.00 1.03 H new ATOM 714 N PRO A 47 1.867 4.448 -12.640 1.00 0.83 N ATOM 715 CA PRO A 47 3.034 3.636 -12.986 1.00 0.91 C ATOM 716 C PRO A 47 4.283 4.125 -12.238 1.00 0.90 C ATOM 717 O PRO A 47 4.539 5.333 -12.170 1.00 0.94 O ATOM 718 CB PRO A 47 3.204 3.750 -14.505 1.00 1.01 C ATOM 719 CG PRO A 47 1.825 4.180 -14.996 1.00 1.25 C ATOM 720 CD PRO A 47 1.303 5.038 -13.846 1.00 0.90 C ATOM 0 HA PRO A 47 2.895 2.596 -12.692 1.00 0.91 H new ATOM 0 HB2 PRO A 47 3.968 4.482 -14.768 1.00 1.01 H new ATOM 0 HB3 PRO A 47 3.507 2.800 -14.946 1.00 1.01 H new ATOM 0 HG2 PRO A 47 1.886 4.745 -15.926 1.00 1.25 H new ATOM 0 HG3 PRO A 47 1.179 3.323 -15.186 1.00 1.25 H new ATOM 0 HD2 PRO A 47 1.613 6.077 -13.958 1.00 0.90 H new ATOM 0 HD3 PRO A 47 0.213 5.033 -13.814 1.00 0.90 H new ATOM 728 N GLY A 48 5.042 3.215 -11.630 1.00 0.94 N ATOM 729 CA GLY A 48 6.166 3.559 -10.747 1.00 0.98 C ATOM 730 C GLY A 48 5.787 4.027 -9.327 1.00 0.96 C ATOM 731 O GLY A 48 6.689 4.305 -8.532 1.00 1.10 O ATOM 0 H GLY A 48 4.897 2.211 -11.734 1.00 0.94 H new ATOM 0 HA2 GLY A 48 6.815 2.688 -10.660 1.00 0.98 H new ATOM 0 HA3 GLY A 48 6.750 4.346 -11.224 1.00 0.98 H new ATOM 735 N GLY A 49 4.494 4.134 -8.990 1.00 0.89 N ATOM 736 CA GLY A 49 4.010 4.570 -7.670 1.00 0.88 C ATOM 737 C GLY A 49 4.183 3.538 -6.543 1.00 0.84 C ATOM 738 O GLY A 49 4.594 2.401 -6.773 1.00 1.10 O ATOM 0 H GLY A 49 3.739 3.916 -9.640 1.00 0.89 H new ATOM 0 HA2 GLY A 49 4.535 5.483 -7.390 1.00 0.88 H new ATOM 0 HA3 GLY A 49 2.953 4.823 -7.752 1.00 0.88 H new ATOM 742 N LYS A 50 3.851 3.933 -5.307 1.00 0.77 N ATOM 743 CA LYS A 50 3.984 3.118 -4.080 1.00 0.71 C ATOM 744 C LYS A 50 2.630 2.963 -3.368 1.00 0.73 C ATOM 745 O LYS A 50 1.806 3.879 -3.396 1.00 1.02 O ATOM 746 CB LYS A 50 5.050 3.763 -3.170 1.00 0.80 C ATOM 747 CG LYS A 50 6.474 3.649 -3.753 1.00 0.89 C ATOM 748 CD LYS A 50 7.405 4.785 -3.301 1.00 1.39 C ATOM 749 CE LYS A 50 8.803 4.579 -3.899 1.00 1.51 C ATOM 750 NZ LYS A 50 9.601 5.829 -3.933 1.00 2.41 N ATOM 0 H LYS A 50 3.469 4.860 -5.121 1.00 0.77 H new ATOM 0 HA LYS A 50 4.309 2.110 -4.339 1.00 0.71 H new ATOM 0 HB2 LYS A 50 4.806 4.815 -3.019 1.00 0.80 H new ATOM 0 HB3 LYS A 50 5.023 3.286 -2.190 1.00 0.80 H new ATOM 0 HG2 LYS A 50 6.906 2.694 -3.456 1.00 0.89 H new ATOM 0 HG3 LYS A 50 6.415 3.647 -4.841 1.00 0.89 H new ATOM 0 HD2 LYS A 50 7.002 5.747 -3.618 1.00 1.39 H new ATOM 0 HD3 LYS A 50 7.464 4.808 -2.213 1.00 1.39 H new ATOM 0 HE2 LYS A 50 9.336 3.828 -3.316 1.00 1.51 H new ATOM 0 HE3 LYS A 50 8.706 4.187 -4.911 1.00 1.51 H new ATOM 0 HZ1 LYS A 50 10.535 5.633 -4.346 1.00 2.41 H new ATOM 0 HZ2 LYS A 50 9.109 6.539 -4.512 1.00 2.41 H new ATOM 0 HZ3 LYS A 50 9.719 6.192 -2.966 1.00 2.41 H new ATOM 764 N PHE A 51 2.384 1.811 -2.734 1.00 0.65 N ATOM 765 CA PHE A 51 1.103 1.515 -2.067 1.00 0.70 C ATOM 766 C PHE A 51 1.060 2.039 -0.610 1.00 0.74 C ATOM 767 O PHE A 51 1.973 1.727 0.159 1.00 0.76 O ATOM 768 CB PHE A 51 0.813 0.006 -2.122 1.00 0.74 C ATOM 769 CG PHE A 51 0.542 -0.533 -3.517 1.00 0.71 C ATOM 770 CD1 PHE A 51 -0.760 -0.514 -4.055 1.00 1.97 C ATOM 771 CD2 PHE A 51 1.593 -1.072 -4.280 1.00 2.19 C ATOM 772 CE1 PHE A 51 -0.999 -1.036 -5.342 1.00 1.96 C ATOM 773 CE2 PHE A 51 1.357 -1.583 -5.565 1.00 2.21 C ATOM 774 CZ PHE A 51 0.060 -1.566 -6.099 1.00 0.75 C ATOM 0 H PHE A 51 3.065 1.055 -2.667 1.00 0.65 H new ATOM 0 HA PHE A 51 0.320 2.045 -2.610 1.00 0.70 H new ATOM 0 HB2 PHE A 51 1.662 -0.530 -1.698 1.00 0.74 H new ATOM 0 HB3 PHE A 51 -0.048 -0.209 -1.489 1.00 0.74 H new ATOM 0 HD1 PHE A 51 -1.575 -0.099 -3.481 1.00 1.97 H new ATOM 0 HD2 PHE A 51 2.593 -1.093 -3.872 1.00 2.19 H new ATOM 0 HE1 PHE A 51 -2.000 -1.029 -5.748 1.00 1.96 H new ATOM 0 HE2 PHE A 51 2.174 -1.989 -6.143 1.00 2.21 H new ATOM 0 HZ PHE A 51 -0.124 -1.959 -7.088 1.00 0.75 H new ATOM 784 N PRO A 52 0.018 2.787 -0.180 1.00 0.80 N ATOM 785 CA PRO A 52 -0.014 3.439 1.140 1.00 0.82 C ATOM 786 C PRO A 52 -0.642 2.613 2.283 1.00 0.83 C ATOM 787 O PRO A 52 -0.390 2.919 3.446 1.00 0.85 O ATOM 788 CB PRO A 52 -0.807 4.732 0.904 1.00 0.88 C ATOM 789 CG PRO A 52 -1.823 4.323 -0.160 1.00 0.91 C ATOM 790 CD PRO A 52 -1.036 3.339 -1.027 1.00 0.84 C ATOM 0 HA PRO A 52 1.007 3.592 1.491 1.00 0.82 H new ATOM 0 HB2 PRO A 52 -1.294 5.078 1.815 1.00 0.88 H new ATOM 0 HB3 PRO A 52 -0.165 5.542 0.558 1.00 0.88 H new ATOM 0 HG2 PRO A 52 -2.704 3.857 0.281 1.00 0.91 H new ATOM 0 HG3 PRO A 52 -2.171 5.180 -0.737 1.00 0.91 H new ATOM 0 HD2 PRO A 52 -1.685 2.548 -1.402 1.00 0.84 H new ATOM 0 HD3 PRO A 52 -0.611 3.842 -1.896 1.00 0.84 H new ATOM 798 N VAL A 53 -1.453 1.592 1.979 1.00 0.84 N ATOM 799 CA VAL A 53 -2.178 0.716 2.933 1.00 0.85 C ATOM 800 C VAL A 53 -2.322 -0.691 2.329 1.00 0.85 C ATOM 801 O VAL A 53 -2.112 -0.848 1.126 1.00 0.89 O ATOM 802 CB VAL A 53 -3.570 1.266 3.326 1.00 0.94 C ATOM 803 CG1 VAL A 53 -3.480 2.564 4.136 1.00 0.96 C ATOM 804 CG2 VAL A 53 -4.480 1.503 2.119 1.00 1.21 C ATOM 0 H VAL A 53 -1.637 1.333 1.010 1.00 0.84 H new ATOM 0 HA VAL A 53 -1.587 0.680 3.848 1.00 0.85 H new ATOM 0 HB VAL A 53 -4.009 0.485 3.947 1.00 0.94 H new ATOM 0 HG11 VAL A 53 -4.484 2.907 4.386 1.00 0.96 H new ATOM 0 HG12 VAL A 53 -2.920 2.382 5.053 1.00 0.96 H new ATOM 0 HG13 VAL A 53 -2.972 3.327 3.546 1.00 0.96 H new ATOM 0 HG21 VAL A 53 -5.441 1.889 2.458 1.00 1.21 H new ATOM 0 HG22 VAL A 53 -4.015 2.226 1.449 1.00 1.21 H new ATOM 0 HG23 VAL A 53 -4.633 0.563 1.588 1.00 1.21 H new ATOM 814 N ASP A 54 -2.682 -1.711 3.121 1.00 0.88 N ATOM 815 CA ASP A 54 -3.054 -3.029 2.577 1.00 0.87 C ATOM 816 C ASP A 54 -4.554 -3.112 2.244 1.00 0.81 C ATOM 817 O ASP A 54 -5.412 -2.799 3.072 1.00 1.08 O ATOM 818 CB ASP A 54 -2.538 -4.191 3.443 1.00 0.97 C ATOM 819 CG ASP A 54 -3.251 -4.388 4.781 1.00 0.89 C ATOM 820 OD1 ASP A 54 -2.805 -3.799 5.792 1.00 1.75 O ATOM 821 OD2 ASP A 54 -4.169 -5.238 4.881 1.00 2.13 O ATOM 0 H ASP A 54 -2.724 -1.651 4.138 1.00 0.88 H new ATOM 0 HA ASP A 54 -2.538 -3.142 1.623 1.00 0.87 H new ATOM 0 HB2 ASP A 54 -2.622 -5.113 2.868 1.00 0.97 H new ATOM 0 HB3 ASP A 54 -1.477 -4.032 3.637 1.00 0.97 H new ATOM 826 N GLY A 55 -4.872 -3.525 1.015 1.00 0.64 N ATOM 827 CA GLY A 55 -6.223 -3.470 0.440 1.00 0.64 C ATOM 828 C GLY A 55 -6.350 -4.267 -0.863 1.00 0.61 C ATOM 829 O GLY A 55 -5.451 -5.036 -1.221 1.00 0.65 O ATOM 0 H GLY A 55 -4.182 -3.917 0.374 1.00 0.64 H new ATOM 0 HA2 GLY A 55 -6.938 -3.856 1.167 1.00 0.64 H new ATOM 0 HA3 GLY A 55 -6.490 -2.430 0.251 1.00 0.64 H new ATOM 833 N ARG A 56 -7.461 -4.074 -1.588 1.00 0.62 N ATOM 834 CA ARG A 56 -7.789 -4.828 -2.815 1.00 0.65 C ATOM 835 C ARG A 56 -7.876 -3.945 -4.065 1.00 0.64 C ATOM 836 O ARG A 56 -8.486 -2.878 -4.051 1.00 0.69 O ATOM 837 CB ARG A 56 -9.051 -5.671 -2.569 1.00 0.73 C ATOM 838 CG ARG A 56 -9.279 -6.753 -3.631 1.00 0.88 C ATOM 839 CD ARG A 56 -10.464 -7.664 -3.297 1.00 1.00 C ATOM 840 NE ARG A 56 -10.213 -8.527 -2.127 1.00 2.02 N ATOM 841 CZ ARG A 56 -10.264 -9.845 -2.096 1.00 3.42 C ATOM 842 NH1 ARG A 56 -10.704 -10.559 -3.092 1.00 3.82 N ATOM 843 NH2 ARG A 56 -9.850 -10.475 -1.044 1.00 5.12 N ATOM 0 H ARG A 56 -8.168 -3.382 -1.339 1.00 0.62 H new ATOM 0 HA ARG A 56 -6.964 -5.505 -3.036 1.00 0.65 H new ATOM 0 HB2 ARG A 56 -8.977 -6.144 -1.590 1.00 0.73 H new ATOM 0 HB3 ARG A 56 -9.919 -5.012 -2.541 1.00 0.73 H new ATOM 0 HG2 ARG A 56 -9.451 -6.278 -4.597 1.00 0.88 H new ATOM 0 HG3 ARG A 56 -8.377 -7.357 -3.729 1.00 0.88 H new ATOM 0 HD2 ARG A 56 -11.345 -7.051 -3.107 1.00 1.00 H new ATOM 0 HD3 ARG A 56 -10.690 -8.289 -4.161 1.00 1.00 H new ATOM 0 HE ARG A 56 -9.976 -8.057 -1.253 1.00 2.02 H new ATOM 0 HH11 ARG A 56 -11.029 -10.101 -3.944 1.00 3.82 H new ATOM 0 HH12 ARG A 56 -10.724 -11.576 -3.021 1.00 3.82 H new ATOM 0 HH21 ARG A 56 -9.488 -9.953 -0.246 1.00 5.12 H new ATOM 0 HH22 ARG A 56 -9.886 -11.494 -1.012 1.00 5.12 H new ATOM 857 N VAL A 57 -7.272 -4.426 -5.148 1.00 0.64 N ATOM 858 CA VAL A 57 -7.239 -3.862 -6.503 1.00 0.63 C ATOM 859 C VAL A 57 -8.506 -4.278 -7.250 1.00 0.64 C ATOM 860 O VAL A 57 -8.826 -5.465 -7.293 1.00 0.69 O ATOM 861 CB VAL A 57 -6.009 -4.393 -7.273 1.00 0.65 C ATOM 862 CG1 VAL A 57 -5.949 -3.844 -8.704 1.00 0.72 C ATOM 863 CG2 VAL A 57 -4.683 -4.051 -6.580 1.00 0.76 C ATOM 0 H VAL A 57 -6.745 -5.298 -5.100 1.00 0.64 H new ATOM 0 HA VAL A 57 -7.179 -2.776 -6.433 1.00 0.63 H new ATOM 0 HB VAL A 57 -6.134 -5.476 -7.293 1.00 0.65 H new ATOM 0 HG11 VAL A 57 -5.069 -4.242 -9.210 1.00 0.72 H new ATOM 0 HG12 VAL A 57 -6.846 -4.143 -9.246 1.00 0.72 H new ATOM 0 HG13 VAL A 57 -5.889 -2.756 -8.674 1.00 0.72 H new ATOM 0 HG21 VAL A 57 -3.854 -4.449 -7.165 1.00 0.76 H new ATOM 0 HG22 VAL A 57 -4.584 -2.969 -6.499 1.00 0.76 H new ATOM 0 HG23 VAL A 57 -4.669 -4.493 -5.584 1.00 0.76 H new ATOM 873 N ILE A 58 -9.210 -3.328 -7.867 1.00 0.64 N ATOM 874 CA ILE A 58 -10.462 -3.574 -8.615 1.00 0.71 C ATOM 875 C ILE A 58 -10.575 -2.731 -9.905 1.00 0.73 C ATOM 876 O ILE A 58 -11.668 -2.419 -10.370 1.00 0.80 O ATOM 877 CB ILE A 58 -11.685 -3.380 -7.675 1.00 0.77 C ATOM 878 CG1 ILE A 58 -11.503 -2.125 -6.792 1.00 0.74 C ATOM 879 CG2 ILE A 58 -11.911 -4.630 -6.803 1.00 0.82 C ATOM 880 CD1 ILE A 58 -12.800 -1.630 -6.146 1.00 0.88 C ATOM 0 H ILE A 58 -8.929 -2.347 -7.866 1.00 0.64 H new ATOM 0 HA ILE A 58 -10.446 -4.609 -8.956 1.00 0.71 H new ATOM 0 HB ILE A 58 -12.569 -3.235 -8.296 1.00 0.77 H new ATOM 0 HG12 ILE A 58 -10.779 -2.346 -6.008 1.00 0.74 H new ATOM 0 HG13 ILE A 58 -11.081 -1.324 -7.399 1.00 0.74 H new ATOM 0 HG21 ILE A 58 -12.772 -4.470 -6.154 1.00 0.82 H new ATOM 0 HG22 ILE A 58 -12.095 -5.492 -7.444 1.00 0.82 H new ATOM 0 HG23 ILE A 58 -11.026 -4.813 -6.193 1.00 0.82 H new ATOM 0 HD11 ILE A 58 -12.592 -0.747 -5.542 1.00 0.88 H new ATOM 0 HD12 ILE A 58 -13.520 -1.376 -6.924 1.00 0.88 H new ATOM 0 HD13 ILE A 58 -13.213 -2.414 -5.512 1.00 0.88 H new ATOM 892 N GLU A 59 -9.442 -2.440 -10.547 1.00 0.70 N ATOM 893 CA GLU A 59 -9.335 -1.907 -11.914 1.00 0.74 C ATOM 894 C GLU A 59 -7.869 -1.989 -12.360 1.00 0.73 C ATOM 895 O GLU A 59 -6.985 -1.611 -11.584 1.00 0.75 O ATOM 896 CB GLU A 59 -9.779 -0.433 -12.034 1.00 0.82 C ATOM 897 CG GLU A 59 -10.376 -0.110 -13.415 1.00 1.07 C ATOM 898 CD GLU A 59 -10.099 1.337 -13.843 1.00 2.30 C ATOM 899 OE1 GLU A 59 -8.909 1.652 -14.106 1.00 3.52 O ATOM 900 OE2 GLU A 59 -11.042 2.155 -13.981 1.00 3.32 O ATOM 0 H GLU A 59 -8.530 -2.574 -10.111 1.00 0.70 H new ATOM 0 HA GLU A 59 -9.997 -2.507 -12.538 1.00 0.74 H new ATOM 0 HB2 GLU A 59 -10.517 -0.215 -11.262 1.00 0.82 H new ATOM 0 HB3 GLU A 59 -8.924 0.217 -11.850 1.00 0.82 H new ATOM 0 HG2 GLU A 59 -9.961 -0.792 -14.157 1.00 1.07 H new ATOM 0 HG3 GLU A 59 -11.452 -0.281 -13.392 1.00 1.07 H new ATOM 907 N GLY A 60 -7.612 -2.394 -13.604 1.00 0.74 N ATOM 908 CA GLY A 60 -6.289 -2.314 -14.223 1.00 0.76 C ATOM 909 C GLY A 60 -5.343 -3.477 -13.914 1.00 0.74 C ATOM 910 O GLY A 60 -5.691 -4.440 -13.230 1.00 0.79 O ATOM 0 H GLY A 60 -8.324 -2.791 -14.217 1.00 0.74 H new ATOM 0 HA2 GLY A 60 -6.416 -2.250 -15.304 1.00 0.76 H new ATOM 0 HA3 GLY A 60 -5.813 -1.387 -13.903 1.00 0.76 H new ATOM 914 N HIS A 61 -4.119 -3.358 -14.437 1.00 0.72 N ATOM 915 CA HIS A 61 -3.107 -4.414 -14.468 1.00 0.75 C ATOM 916 C HIS A 61 -1.695 -3.827 -14.319 1.00 0.77 C ATOM 917 O HIS A 61 -1.279 -2.982 -15.117 1.00 1.12 O ATOM 918 CB HIS A 61 -3.229 -5.184 -15.788 1.00 0.94 C ATOM 919 CG HIS A 61 -4.613 -5.713 -16.072 1.00 1.94 C ATOM 920 ND1 HIS A 61 -5.582 -5.070 -16.806 1.00 2.62 N ATOM 921 CD2 HIS A 61 -5.167 -6.866 -15.596 1.00 4.01 C ATOM 922 CE1 HIS A 61 -6.706 -5.801 -16.756 1.00 4.37 C ATOM 923 NE2 HIS A 61 -6.493 -6.928 -16.052 1.00 5.42 N ATOM 0 H HIS A 61 -3.795 -2.491 -14.866 1.00 0.72 H new ATOM 0 HA HIS A 61 -3.273 -5.092 -13.631 1.00 0.75 H new ATOM 0 HB2 HIS A 61 -2.928 -4.530 -16.606 1.00 0.94 H new ATOM 0 HB3 HIS A 61 -2.529 -6.019 -15.774 1.00 0.94 H new ATOM 0 HD2 HIS A 61 -4.673 -7.601 -14.978 1.00 4.01 H new ATOM 0 HE1 HIS A 61 -7.645 -5.525 -17.214 1.00 4.37 H new ATOM 0 HE2 HIS A 61 -7.163 -7.679 -15.883 1.00 5.42 H new ATOM 931 N SER A 62 -0.967 -4.247 -13.282 1.00 0.62 N ATOM 932 CA SER A 62 0.447 -3.910 -13.068 1.00 0.61 C ATOM 933 C SER A 62 1.197 -5.063 -12.401 1.00 0.61 C ATOM 934 O SER A 62 0.583 -6.018 -11.924 1.00 0.73 O ATOM 935 CB SER A 62 0.577 -2.626 -12.236 1.00 0.67 C ATOM 936 OG SER A 62 1.611 -1.816 -12.753 1.00 1.31 O ATOM 0 H SER A 62 -1.351 -4.845 -12.550 1.00 0.62 H new ATOM 0 HA SER A 62 0.901 -3.737 -14.044 1.00 0.61 H new ATOM 0 HB2 SER A 62 -0.365 -2.078 -12.248 1.00 0.67 H new ATOM 0 HB3 SER A 62 0.786 -2.877 -11.196 1.00 0.67 H new ATOM 0 HG SER A 62 1.275 -0.906 -12.892 1.00 1.31 H new ATOM 942 N MET A 63 2.517 -4.946 -12.308 1.00 0.56 N ATOM 943 CA MET A 63 3.387 -5.834 -11.531 1.00 0.59 C ATOM 944 C MET A 63 3.922 -5.122 -10.271 1.00 0.60 C ATOM 945 O MET A 63 4.068 -3.902 -10.263 1.00 0.81 O ATOM 946 CB MET A 63 4.449 -6.394 -12.489 1.00 0.64 C ATOM 947 CG MET A 63 5.477 -7.301 -11.819 1.00 0.67 C ATOM 948 SD MET A 63 6.313 -8.452 -12.943 1.00 0.78 S ATOM 949 CE MET A 63 5.031 -9.729 -13.082 1.00 0.76 C ATOM 0 H MET A 63 3.032 -4.207 -12.786 1.00 0.56 H new ATOM 0 HA MET A 63 2.847 -6.688 -11.121 1.00 0.59 H new ATOM 0 HB2 MET A 63 3.950 -6.952 -13.281 1.00 0.64 H new ATOM 0 HB3 MET A 63 4.969 -5.562 -12.964 1.00 0.64 H new ATOM 0 HG2 MET A 63 6.228 -6.679 -11.332 1.00 0.67 H new ATOM 0 HG3 MET A 63 4.981 -7.874 -11.036 1.00 0.67 H new ATOM 0 HE1 MET A 63 5.379 -10.523 -13.743 1.00 0.76 H new ATOM 0 HE2 MET A 63 4.821 -10.143 -12.096 1.00 0.76 H new ATOM 0 HE3 MET A 63 4.122 -9.289 -13.491 1.00 0.76 H new ATOM 959 N VAL A 64 4.169 -5.867 -9.188 1.00 0.53 N ATOM 960 CA VAL A 64 4.472 -5.328 -7.847 1.00 0.54 C ATOM 961 C VAL A 64 5.740 -5.939 -7.240 1.00 0.55 C ATOM 962 O VAL A 64 5.911 -7.155 -7.253 1.00 0.63 O ATOM 963 CB VAL A 64 3.262 -5.504 -6.902 1.00 0.61 C ATOM 964 CG1 VAL A 64 3.532 -4.943 -5.500 1.00 0.62 C ATOM 965 CG2 VAL A 64 2.028 -4.777 -7.458 1.00 0.69 C ATOM 0 H VAL A 64 4.165 -6.887 -9.215 1.00 0.53 H new ATOM 0 HA VAL A 64 4.667 -4.262 -7.968 1.00 0.54 H new ATOM 0 HB VAL A 64 3.086 -6.578 -6.835 1.00 0.61 H new ATOM 0 HG11 VAL A 64 2.652 -5.090 -4.873 1.00 0.62 H new ATOM 0 HG12 VAL A 64 4.383 -5.461 -5.058 1.00 0.62 H new ATOM 0 HG13 VAL A 64 3.753 -3.878 -5.571 1.00 0.62 H new ATOM 0 HG21 VAL A 64 1.188 -4.914 -6.777 1.00 0.69 H new ATOM 0 HG22 VAL A 64 2.246 -3.714 -7.556 1.00 0.69 H new ATOM 0 HG23 VAL A 64 1.774 -5.187 -8.435 1.00 0.69 H new ATOM 975 N ASP A 65 6.618 -5.102 -6.682 1.00 0.55 N ATOM 976 CA ASP A 65 7.867 -5.499 -6.009 1.00 0.60 C ATOM 977 C ASP A 65 7.680 -5.486 -4.473 1.00 0.59 C ATOM 978 O ASP A 65 7.612 -4.419 -3.855 1.00 0.68 O ATOM 979 CB ASP A 65 8.996 -4.568 -6.502 1.00 0.72 C ATOM 980 CG ASP A 65 10.412 -5.047 -6.162 1.00 1.00 C ATOM 981 OD1 ASP A 65 10.854 -6.085 -6.706 1.00 2.21 O ATOM 982 OD2 ASP A 65 11.148 -4.347 -5.424 1.00 1.44 O ATOM 0 H ASP A 65 6.478 -4.092 -6.684 1.00 0.55 H new ATOM 0 HA ASP A 65 8.143 -6.523 -6.261 1.00 0.60 H new ATOM 0 HB2 ASP A 65 8.913 -4.459 -7.583 1.00 0.72 H new ATOM 0 HB3 ASP A 65 8.848 -3.578 -6.070 1.00 0.72 H new ATOM 987 N GLU A 66 7.586 -6.666 -3.845 1.00 0.57 N ATOM 988 CA GLU A 66 7.258 -6.861 -2.411 1.00 0.58 C ATOM 989 C GLU A 66 8.345 -7.595 -1.587 1.00 0.58 C ATOM 990 O GLU A 66 8.148 -7.867 -0.402 1.00 0.62 O ATOM 991 CB GLU A 66 5.858 -7.492 -2.250 1.00 0.71 C ATOM 992 CG GLU A 66 5.671 -8.852 -2.935 1.00 1.29 C ATOM 993 CD GLU A 66 4.356 -9.537 -2.512 1.00 1.19 C ATOM 994 OE1 GLU A 66 3.266 -9.086 -2.930 1.00 1.38 O ATOM 995 OE2 GLU A 66 4.377 -10.534 -1.746 1.00 2.17 O ATOM 0 H GLU A 66 7.741 -7.548 -4.333 1.00 0.57 H new ATOM 0 HA GLU A 66 7.237 -5.863 -1.973 1.00 0.58 H new ATOM 0 HB2 GLU A 66 5.649 -7.607 -1.186 1.00 0.71 H new ATOM 0 HB3 GLU A 66 5.117 -6.798 -2.647 1.00 0.71 H new ATOM 0 HG2 GLU A 66 5.678 -8.717 -4.017 1.00 1.29 H new ATOM 0 HG3 GLU A 66 6.512 -9.500 -2.690 1.00 1.29 H new ATOM 1002 N SER A 67 9.507 -7.867 -2.198 1.00 0.78 N ATOM 1003 CA SER A 67 10.643 -8.630 -1.633 1.00 0.89 C ATOM 1004 C SER A 67 11.075 -8.285 -0.195 1.00 0.82 C ATOM 1005 O SER A 67 11.612 -9.155 0.487 1.00 0.94 O ATOM 1006 CB SER A 67 11.874 -8.515 -2.544 1.00 1.16 C ATOM 1007 OG SER A 67 12.319 -7.165 -2.607 1.00 1.36 O ATOM 0 H SER A 67 9.695 -7.547 -3.148 1.00 0.78 H new ATOM 0 HA SER A 67 10.251 -9.646 -1.581 1.00 0.89 H new ATOM 0 HB2 SER A 67 12.674 -9.151 -2.167 1.00 1.16 H new ATOM 0 HB3 SER A 67 11.629 -8.871 -3.545 1.00 1.16 H new ATOM 0 HG SER A 67 13.105 -7.106 -3.189 1.00 1.36 H new ATOM 1013 N LEU A 68 10.844 -7.069 0.311 1.00 0.80 N ATOM 1014 CA LEU A 68 11.141 -6.706 1.708 1.00 0.84 C ATOM 1015 C LEU A 68 10.031 -7.139 2.682 1.00 0.84 C ATOM 1016 O LEU A 68 10.328 -7.659 3.759 1.00 0.94 O ATOM 1017 CB LEU A 68 11.410 -5.184 1.744 1.00 0.90 C ATOM 1018 CG LEU A 68 11.897 -4.518 3.052 1.00 0.91 C ATOM 1019 CD1 LEU A 68 10.850 -4.447 4.166 1.00 0.99 C ATOM 1020 CD2 LEU A 68 13.162 -5.161 3.618 1.00 0.81 C ATOM 0 H LEU A 68 10.445 -6.305 -0.234 1.00 0.80 H new ATOM 0 HA LEU A 68 12.024 -7.245 2.052 1.00 0.84 H new ATOM 0 HB2 LEU A 68 12.150 -4.967 0.974 1.00 0.90 H new ATOM 0 HB3 LEU A 68 10.487 -4.684 1.449 1.00 0.90 H new ATOM 0 HG LEU A 68 12.114 -3.499 2.732 1.00 0.91 H new ATOM 0 HD11 LEU A 68 11.283 -3.965 5.042 1.00 0.99 H new ATOM 0 HD12 LEU A 68 9.991 -3.871 3.822 1.00 0.99 H new ATOM 0 HD13 LEU A 68 10.529 -5.455 4.428 1.00 0.99 H new ATOM 0 HD21 LEU A 68 13.452 -4.648 4.535 1.00 0.81 H new ATOM 0 HD22 LEU A 68 12.970 -6.212 3.835 1.00 0.81 H new ATOM 0 HD23 LEU A 68 13.968 -5.082 2.888 1.00 0.81 H new ATOM 1032 N ILE A 69 8.760 -6.956 2.309 1.00 0.79 N ATOM 1033 CA ILE A 69 7.605 -7.131 3.207 1.00 0.81 C ATOM 1034 C ILE A 69 7.370 -8.619 3.486 1.00 0.88 C ATOM 1035 O ILE A 69 7.452 -9.087 4.625 1.00 1.01 O ATOM 1036 CB ILE A 69 6.318 -6.486 2.626 1.00 0.81 C ATOM 1037 CG1 ILE A 69 6.483 -5.027 2.134 1.00 0.82 C ATOM 1038 CG2 ILE A 69 5.190 -6.607 3.674 1.00 0.88 C ATOM 1039 CD1 ILE A 69 6.502 -3.970 3.236 1.00 0.79 C ATOM 0 H ILE A 69 8.497 -6.679 1.363 1.00 0.79 H new ATOM 0 HA ILE A 69 7.837 -6.621 4.142 1.00 0.81 H new ATOM 0 HB ILE A 69 6.065 -7.038 1.721 1.00 0.81 H new ATOM 0 HG12 ILE A 69 7.411 -4.954 1.566 1.00 0.82 H new ATOM 0 HG13 ILE A 69 5.669 -4.798 1.446 1.00 0.82 H new ATOM 0 HG21 ILE A 69 4.278 -6.158 3.281 1.00 0.88 H new ATOM 0 HG22 ILE A 69 5.010 -7.659 3.895 1.00 0.88 H new ATOM 0 HG23 ILE A 69 5.485 -6.089 4.587 1.00 0.88 H new ATOM 0 HD11 ILE A 69 6.621 -2.982 2.791 1.00 0.79 H new ATOM 0 HD12 ILE A 69 5.565 -4.007 3.792 1.00 0.79 H new ATOM 0 HD13 ILE A 69 7.333 -4.166 3.913 1.00 0.79 H new ATOM 1051 N THR A 70 7.100 -9.371 2.424 1.00 0.89 N ATOM 1052 CA THR A 70 6.762 -10.802 2.419 1.00 0.97 C ATOM 1053 C THR A 70 7.989 -11.691 2.218 1.00 1.02 C ATOM 1054 O THR A 70 7.918 -12.906 2.412 1.00 1.13 O ATOM 1055 CB THR A 70 5.744 -11.069 1.301 1.00 0.93 C ATOM 1056 OG1 THR A 70 6.150 -10.353 0.161 1.00 1.06 O ATOM 1057 CG2 THR A 70 4.348 -10.570 1.660 1.00 1.16 C ATOM 0 H THR A 70 7.110 -8.979 1.482 1.00 0.89 H new ATOM 0 HA THR A 70 6.341 -11.050 3.394 1.00 0.97 H new ATOM 0 HB THR A 70 5.705 -12.146 1.138 1.00 0.93 H new ATOM 0 HG1 THR A 70 5.545 -10.553 -0.584 1.00 1.06 H new ATOM 0 HG21 THR A 70 3.664 -10.781 0.838 1.00 1.16 H new ATOM 0 HG22 THR A 70 4.001 -11.076 2.561 1.00 1.16 H new ATOM 0 HG23 THR A 70 4.380 -9.495 1.838 1.00 1.16 H new ATOM 1065 N GLY A 71 9.136 -11.114 1.852 1.00 0.98 N ATOM 1066 CA GLY A 71 10.367 -11.869 1.620 1.00 1.04 C ATOM 1067 C GLY A 71 10.363 -12.643 0.295 1.00 1.09 C ATOM 1068 O GLY A 71 10.905 -13.746 0.221 1.00 1.55 O ATOM 0 H GLY A 71 9.236 -10.109 1.708 1.00 0.98 H new ATOM 0 HA2 GLY A 71 11.213 -11.182 1.629 1.00 1.04 H new ATOM 0 HA3 GLY A 71 10.516 -12.570 2.442 1.00 1.04 H new ATOM 1072 N GLU A 72 9.689 -12.116 -0.729 1.00 0.88 N ATOM 1073 CA GLU A 72 9.789 -12.609 -2.113 1.00 0.85 C ATOM 1074 C GLU A 72 11.186 -12.319 -2.703 1.00 1.04 C ATOM 1075 O GLU A 72 12.037 -11.714 -2.046 1.00 2.38 O ATOM 1076 CB GLU A 72 8.675 -11.981 -2.976 1.00 0.95 C ATOM 1077 CG GLU A 72 7.256 -12.313 -2.494 1.00 1.01 C ATOM 1078 CD GLU A 72 7.002 -13.808 -2.306 1.00 1.24 C ATOM 1079 OE1 GLU A 72 7.365 -14.629 -3.182 1.00 1.63 O ATOM 1080 OE2 GLU A 72 6.415 -14.201 -1.273 1.00 2.58 O ATOM 0 H GLU A 72 9.051 -11.327 -0.625 1.00 0.88 H new ATOM 0 HA GLU A 72 9.655 -13.691 -2.111 1.00 0.85 H new ATOM 0 HB2 GLU A 72 8.802 -10.898 -2.985 1.00 0.95 H new ATOM 0 HB3 GLU A 72 8.789 -12.323 -4.005 1.00 0.95 H new ATOM 0 HG2 GLU A 72 7.075 -11.802 -1.549 1.00 1.01 H new ATOM 0 HG3 GLU A 72 6.537 -11.919 -3.212 1.00 1.01 H new ATOM 1087 N ALA A 73 11.438 -12.730 -3.948 1.00 1.41 N ATOM 1088 CA ALA A 73 12.708 -12.460 -4.640 1.00 1.53 C ATOM 1089 C ALA A 73 12.557 -12.168 -6.148 1.00 1.22 C ATOM 1090 O ALA A 73 13.548 -12.034 -6.875 1.00 1.40 O ATOM 1091 CB ALA A 73 13.660 -13.619 -4.344 1.00 2.11 C ATOM 0 H ALA A 73 10.770 -13.260 -4.508 1.00 1.41 H new ATOM 0 HA ALA A 73 13.126 -11.531 -4.253 1.00 1.53 H new ATOM 0 HB1 ALA A 73 14.612 -13.445 -4.846 1.00 2.11 H new ATOM 0 HB2 ALA A 73 13.824 -13.690 -3.269 1.00 2.11 H new ATOM 0 HB3 ALA A 73 13.224 -14.550 -4.706 1.00 2.11 H new ATOM 1097 N MET A 74 11.318 -12.046 -6.623 1.00 1.02 N ATOM 1098 CA MET A 74 10.935 -11.569 -7.951 1.00 0.88 C ATOM 1099 C MET A 74 9.564 -10.873 -7.825 1.00 0.73 C ATOM 1100 O MET A 74 8.817 -11.184 -6.888 1.00 0.80 O ATOM 1101 CB MET A 74 10.930 -12.733 -8.961 1.00 1.37 C ATOM 1102 CG MET A 74 9.960 -13.869 -8.605 1.00 1.69 C ATOM 1103 SD MET A 74 10.044 -15.315 -9.699 1.00 2.37 S ATOM 1104 CE MET A 74 11.594 -16.077 -9.137 1.00 3.07 C ATOM 0 H MET A 74 10.506 -12.292 -6.057 1.00 1.02 H new ATOM 0 HA MET A 74 11.656 -10.847 -8.334 1.00 0.88 H new ATOM 0 HB2 MET A 74 10.671 -12.344 -9.946 1.00 1.37 H new ATOM 0 HB3 MET A 74 11.938 -13.140 -9.034 1.00 1.37 H new ATOM 0 HG2 MET A 74 10.161 -14.192 -7.584 1.00 1.69 H new ATOM 0 HG3 MET A 74 8.943 -13.477 -8.621 1.00 1.69 H new ATOM 0 HE1 MET A 74 11.750 -17.017 -9.666 1.00 3.07 H new ATOM 0 HE2 MET A 74 12.426 -15.403 -9.342 1.00 3.07 H new ATOM 0 HE3 MET A 74 11.538 -16.268 -8.065 1.00 3.07 H new ATOM 1114 N PRO A 75 9.219 -9.913 -8.700 1.00 0.74 N ATOM 1115 CA PRO A 75 7.960 -9.177 -8.591 1.00 0.73 C ATOM 1116 C PRO A 75 6.745 -10.006 -9.056 1.00 0.69 C ATOM 1117 O PRO A 75 6.887 -10.992 -9.785 1.00 0.77 O ATOM 1118 CB PRO A 75 8.199 -7.887 -9.372 1.00 1.01 C ATOM 1119 CG PRO A 75 9.188 -8.308 -10.458 1.00 1.34 C ATOM 1120 CD PRO A 75 10.061 -9.337 -9.740 1.00 1.00 C ATOM 0 HA PRO A 75 7.693 -8.949 -7.559 1.00 0.73 H new ATOM 0 HB2 PRO A 75 7.274 -7.499 -9.799 1.00 1.01 H new ATOM 0 HB3 PRO A 75 8.610 -7.103 -8.736 1.00 1.01 H new ATOM 0 HG2 PRO A 75 8.681 -8.739 -11.321 1.00 1.34 H new ATOM 0 HG3 PRO A 75 9.774 -7.464 -10.821 1.00 1.34 H new ATOM 0 HD2 PRO A 75 10.410 -10.105 -10.431 1.00 1.00 H new ATOM 0 HD3 PRO A 75 10.947 -8.868 -9.311 1.00 1.00 H new ATOM 1128 N VAL A 76 5.544 -9.612 -8.620 1.00 0.71 N ATOM 1129 CA VAL A 76 4.281 -10.375 -8.729 1.00 0.79 C ATOM 1130 C VAL A 76 3.219 -9.618 -9.540 1.00 0.73 C ATOM 1131 O VAL A 76 3.045 -8.416 -9.362 1.00 0.68 O ATOM 1132 CB VAL A 76 3.732 -10.710 -7.318 1.00 0.93 C ATOM 1133 CG1 VAL A 76 2.633 -11.777 -7.389 1.00 1.19 C ATOM 1134 CG2 VAL A 76 4.806 -11.233 -6.348 1.00 0.86 C ATOM 0 H VAL A 76 5.412 -8.712 -8.159 1.00 0.71 H new ATOM 0 HA VAL A 76 4.505 -11.300 -9.261 1.00 0.79 H new ATOM 0 HB VAL A 76 3.345 -9.763 -6.942 1.00 0.93 H new ATOM 0 HG11 VAL A 76 2.268 -11.991 -6.384 1.00 1.19 H new ATOM 0 HG12 VAL A 76 1.810 -11.412 -8.004 1.00 1.19 H new ATOM 0 HG13 VAL A 76 3.038 -12.688 -7.829 1.00 1.19 H new ATOM 0 HG21 VAL A 76 4.350 -11.446 -5.381 1.00 0.86 H new ATOM 0 HG22 VAL A 76 5.247 -12.145 -6.751 1.00 0.86 H new ATOM 0 HG23 VAL A 76 5.583 -10.479 -6.224 1.00 0.86 H new ATOM 1144 N ALA A 77 2.478 -10.306 -10.411 1.00 0.76 N ATOM 1145 CA ALA A 77 1.435 -9.687 -11.242 1.00 0.73 C ATOM 1146 C ALA A 77 0.134 -9.384 -10.459 1.00 0.67 C ATOM 1147 O ALA A 77 -0.203 -10.081 -9.497 1.00 0.65 O ATOM 1148 CB ALA A 77 1.167 -10.588 -12.453 1.00 0.83 C ATOM 0 H ALA A 77 2.582 -11.309 -10.563 1.00 0.76 H new ATOM 0 HA ALA A 77 1.800 -8.716 -11.577 1.00 0.73 H new ATOM 0 HB1 ALA A 77 0.394 -10.139 -13.077 1.00 0.83 H new ATOM 0 HB2 ALA A 77 2.083 -10.699 -13.033 1.00 0.83 H new ATOM 0 HB3 ALA A 77 0.833 -11.567 -12.111 1.00 0.83 H new ATOM 1154 N LYS A 78 -0.601 -8.345 -10.886 1.00 0.78 N ATOM 1155 CA LYS A 78 -1.915 -7.919 -10.360 1.00 0.81 C ATOM 1156 C LYS A 78 -2.938 -7.657 -11.468 1.00 0.84 C ATOM 1157 O LYS A 78 -2.584 -7.317 -12.601 1.00 0.94 O ATOM 1158 CB LYS A 78 -1.781 -6.659 -9.470 1.00 0.81 C ATOM 1159 CG LYS A 78 -0.839 -6.800 -8.264 1.00 0.78 C ATOM 1160 CD LYS A 78 -1.329 -7.842 -7.246 1.00 0.98 C ATOM 1161 CE LYS A 78 -0.247 -8.245 -6.245 1.00 1.13 C ATOM 1162 NZ LYS A 78 -0.713 -9.369 -5.403 1.00 1.56 N ATOM 0 H LYS A 78 -0.281 -7.746 -11.647 1.00 0.78 H new ATOM 0 HA LYS A 78 -2.281 -8.750 -9.758 1.00 0.81 H new ATOM 0 HB2 LYS A 78 -1.430 -5.834 -10.089 1.00 0.81 H new ATOM 0 HB3 LYS A 78 -2.771 -6.385 -9.106 1.00 0.81 H new ATOM 0 HG2 LYS A 78 0.154 -7.080 -8.615 1.00 0.78 H new ATOM 0 HG3 LYS A 78 -0.741 -5.833 -7.770 1.00 0.78 H new ATOM 0 HD2 LYS A 78 -2.186 -7.440 -6.706 1.00 0.98 H new ATOM 0 HD3 LYS A 78 -1.674 -8.729 -7.778 1.00 0.98 H new ATOM 0 HE2 LYS A 78 0.660 -8.533 -6.777 1.00 1.13 H new ATOM 0 HE3 LYS A 78 0.010 -7.393 -5.615 1.00 1.13 H new ATOM 0 HZ1 LYS A 78 0.108 -9.869 -5.007 1.00 1.56 H new ATOM 0 HZ2 LYS A 78 -1.302 -9.002 -4.628 1.00 1.56 H new ATOM 0 HZ3 LYS A 78 -1.273 -10.027 -5.981 1.00 1.56 H new ATOM 1176 N LYS A 79 -4.212 -7.785 -11.090 1.00 0.79 N ATOM 1177 CA LYS A 79 -5.440 -7.585 -11.881 1.00 0.82 C ATOM 1178 C LYS A 79 -6.609 -7.204 -10.945 1.00 0.69 C ATOM 1179 O LYS A 79 -6.384 -7.155 -9.730 1.00 0.64 O ATOM 1180 CB LYS A 79 -5.732 -8.881 -12.661 1.00 1.04 C ATOM 1181 CG LYS A 79 -5.922 -10.136 -11.788 1.00 1.85 C ATOM 1182 CD LYS A 79 -6.772 -11.203 -12.490 1.00 2.26 C ATOM 1183 CE LYS A 79 -6.291 -11.537 -13.912 1.00 1.98 C ATOM 1184 NZ LYS A 79 -7.163 -12.546 -14.556 1.00 2.62 N ATOM 0 H LYS A 79 -4.437 -8.057 -10.133 1.00 0.79 H new ATOM 0 HA LYS A 79 -5.314 -6.768 -12.592 1.00 0.82 H new ATOM 0 HB2 LYS A 79 -6.631 -8.733 -13.259 1.00 1.04 H new ATOM 0 HB3 LYS A 79 -4.913 -9.061 -13.357 1.00 1.04 H new ATOM 0 HG2 LYS A 79 -4.947 -10.555 -11.539 1.00 1.85 H new ATOM 0 HG3 LYS A 79 -6.397 -9.855 -10.848 1.00 1.85 H new ATOM 0 HD2 LYS A 79 -6.765 -12.113 -11.890 1.00 2.26 H new ATOM 0 HD3 LYS A 79 -7.805 -10.859 -12.536 1.00 2.26 H new ATOM 0 HE2 LYS A 79 -6.276 -10.629 -14.515 1.00 1.98 H new ATOM 0 HE3 LYS A 79 -5.268 -11.910 -13.873 1.00 1.98 H new ATOM 0 HZ1 LYS A 79 -6.811 -12.749 -15.513 1.00 2.62 H new ATOM 0 HZ2 LYS A 79 -7.157 -13.420 -13.993 1.00 2.62 H new ATOM 0 HZ3 LYS A 79 -8.134 -12.179 -14.615 1.00 2.62 H new ATOM 1198 N PRO A 80 -7.850 -6.983 -11.421 1.00 0.68 N ATOM 1199 CA PRO A 80 -8.998 -6.825 -10.531 1.00 0.64 C ATOM 1200 C PRO A 80 -9.273 -8.051 -9.653 1.00 0.65 C ATOM 1201 O PRO A 80 -8.985 -9.200 -10.001 1.00 0.77 O ATOM 1202 CB PRO A 80 -10.198 -6.495 -11.417 1.00 0.74 C ATOM 1203 CG PRO A 80 -9.538 -5.882 -12.642 1.00 1.46 C ATOM 1204 CD PRO A 80 -8.265 -6.713 -12.788 1.00 0.81 C ATOM 0 HA PRO A 80 -8.791 -6.026 -9.819 1.00 0.64 H new ATOM 0 HB2 PRO A 80 -10.775 -7.385 -11.668 1.00 0.74 H new ATOM 0 HB3 PRO A 80 -10.882 -5.798 -10.932 1.00 0.74 H new ATOM 0 HG2 PRO A 80 -10.174 -5.956 -13.524 1.00 1.46 H new ATOM 0 HG3 PRO A 80 -9.317 -4.825 -12.497 1.00 1.46 H new ATOM 0 HD2 PRO A 80 -8.454 -7.636 -13.335 1.00 0.81 H new ATOM 0 HD3 PRO A 80 -7.496 -6.169 -13.336 1.00 0.81 H new ATOM 1212 N GLY A 81 -9.833 -7.776 -8.480 1.00 0.79 N ATOM 1213 CA GLY A 81 -10.032 -8.749 -7.402 1.00 0.88 C ATOM 1214 C GLY A 81 -8.731 -9.255 -6.756 1.00 0.85 C ATOM 1215 O GLY A 81 -8.748 -10.326 -6.153 1.00 1.10 O ATOM 0 H GLY A 81 -10.172 -6.844 -8.242 1.00 0.79 H new ATOM 0 HA2 GLY A 81 -10.654 -8.296 -6.630 1.00 0.88 H new ATOM 0 HA3 GLY A 81 -10.584 -9.602 -7.796 1.00 0.88 H new ATOM 1219 N SER A 82 -7.608 -8.538 -6.894 1.00 0.73 N ATOM 1220 CA SER A 82 -6.280 -8.961 -6.388 1.00 0.70 C ATOM 1221 C SER A 82 -5.862 -8.128 -5.175 1.00 0.66 C ATOM 1222 O SER A 82 -6.312 -6.994 -5.043 1.00 0.75 O ATOM 1223 CB SER A 82 -5.227 -8.846 -7.492 1.00 0.76 C ATOM 1224 OG SER A 82 -4.031 -9.476 -7.090 1.00 1.18 O ATOM 0 H SER A 82 -7.588 -7.634 -7.366 1.00 0.73 H new ATOM 0 HA SER A 82 -6.356 -10.003 -6.077 1.00 0.70 H new ATOM 0 HB2 SER A 82 -5.598 -9.305 -8.408 1.00 0.76 H new ATOM 0 HB3 SER A 82 -5.037 -7.796 -7.716 1.00 0.76 H new ATOM 0 HG SER A 82 -3.565 -9.826 -7.878 1.00 1.18 H new ATOM 1230 N THR A 83 -5.018 -8.627 -4.269 1.00 0.67 N ATOM 1231 CA THR A 83 -4.744 -7.980 -2.968 1.00 0.67 C ATOM 1232 C THR A 83 -3.274 -7.573 -2.800 1.00 0.58 C ATOM 1233 O THR A 83 -2.360 -8.254 -3.277 1.00 0.66 O ATOM 1234 CB THR A 83 -5.256 -8.854 -1.808 1.00 0.93 C ATOM 1235 OG1 THR A 83 -4.824 -10.193 -1.956 1.00 1.23 O ATOM 1236 CG2 THR A 83 -6.789 -8.850 -1.769 1.00 1.17 C ATOM 0 H THR A 83 -4.500 -9.494 -4.410 1.00 0.67 H new ATOM 0 HA THR A 83 -5.301 -7.043 -2.946 1.00 0.67 H new ATOM 0 HB THR A 83 -4.855 -8.437 -0.885 1.00 0.93 H new ATOM 0 HG1 THR A 83 -5.159 -10.729 -1.208 1.00 1.23 H new ATOM 0 HG21 THR A 83 -7.134 -9.473 -0.943 1.00 1.17 H new ATOM 0 HG22 THR A 83 -7.147 -7.830 -1.628 1.00 1.17 H new ATOM 0 HG23 THR A 83 -7.178 -9.245 -2.708 1.00 1.17 H new ATOM 1244 N VAL A 84 -3.040 -6.430 -2.148 1.00 0.57 N ATOM 1245 CA VAL A 84 -1.736 -5.738 -2.057 1.00 0.60 C ATOM 1246 C VAL A 84 -1.413 -5.285 -0.627 1.00 0.61 C ATOM 1247 O VAL A 84 -2.323 -5.090 0.184 1.00 0.60 O ATOM 1248 CB VAL A 84 -1.659 -4.532 -3.023 1.00 0.61 C ATOM 1249 CG1 VAL A 84 -1.607 -4.996 -4.484 1.00 0.64 C ATOM 1250 CG2 VAL A 84 -2.823 -3.542 -2.859 1.00 0.60 C ATOM 0 H VAL A 84 -3.778 -5.936 -1.647 1.00 0.57 H new ATOM 0 HA VAL A 84 -0.986 -6.471 -2.354 1.00 0.60 H new ATOM 0 HB VAL A 84 -0.739 -4.011 -2.759 1.00 0.61 H new ATOM 0 HG11 VAL A 84 -1.553 -4.127 -5.140 1.00 0.64 H new ATOM 0 HG12 VAL A 84 -0.727 -5.621 -4.636 1.00 0.64 H new ATOM 0 HG13 VAL A 84 -2.504 -5.570 -4.715 1.00 0.64 H new ATOM 0 HG21 VAL A 84 -2.705 -2.722 -3.567 1.00 0.60 H new ATOM 0 HG22 VAL A 84 -3.766 -4.054 -3.050 1.00 0.60 H new ATOM 0 HG23 VAL A 84 -2.824 -3.147 -1.843 1.00 0.60 H new ATOM 1260 N ILE A 85 -0.121 -5.095 -0.337 1.00 0.67 N ATOM 1261 CA ILE A 85 0.420 -4.558 0.928 1.00 0.69 C ATOM 1262 C ILE A 85 1.075 -3.183 0.758 1.00 0.72 C ATOM 1263 O ILE A 85 1.626 -2.859 -0.299 1.00 1.01 O ATOM 1264 CB ILE A 85 1.424 -5.509 1.624 1.00 0.72 C ATOM 1265 CG1 ILE A 85 2.795 -5.670 0.929 1.00 1.17 C ATOM 1266 CG2 ILE A 85 0.818 -6.877 1.932 1.00 1.44 C ATOM 1267 CD1 ILE A 85 2.784 -6.079 -0.541 1.00 0.92 C ATOM 0 H ILE A 85 0.615 -5.321 -1.006 1.00 0.67 H new ATOM 0 HA ILE A 85 -0.457 -4.458 1.568 1.00 0.69 H new ATOM 0 HB ILE A 85 1.636 -4.992 2.560 1.00 0.72 H new ATOM 0 HG12 ILE A 85 3.330 -4.724 1.013 1.00 1.17 H new ATOM 0 HG13 ILE A 85 3.370 -6.412 1.483 1.00 1.17 H new ATOM 0 HG21 ILE A 85 1.564 -7.504 2.419 1.00 1.44 H new ATOM 0 HG22 ILE A 85 -0.040 -6.754 2.593 1.00 1.44 H new ATOM 0 HG23 ILE A 85 0.497 -7.350 1.004 1.00 1.44 H new ATOM 0 HD11 ILE A 85 3.809 -6.156 -0.905 1.00 0.92 H new ATOM 0 HD12 ILE A 85 2.288 -7.044 -0.647 1.00 0.92 H new ATOM 0 HD13 ILE A 85 2.248 -5.330 -1.123 1.00 0.92 H new ATOM 1279 N ALA A 86 1.088 -2.406 1.842 1.00 0.62 N ATOM 1280 CA ALA A 86 1.752 -1.109 1.881 1.00 0.63 C ATOM 1281 C ALA A 86 3.280 -1.207 1.730 1.00 0.64 C ATOM 1282 O ALA A 86 3.901 -2.188 2.136 1.00 0.66 O ATOM 1283 CB ALA A 86 1.378 -0.399 3.186 1.00 0.68 C ATOM 0 H ALA A 86 0.636 -2.663 2.719 1.00 0.62 H new ATOM 0 HA ALA A 86 1.406 -0.531 1.024 1.00 0.63 H new ATOM 0 HB1 ALA A 86 1.870 0.573 3.225 1.00 0.68 H new ATOM 0 HB2 ALA A 86 0.298 -0.261 3.228 1.00 0.68 H new ATOM 0 HB3 ALA A 86 1.700 -1.003 4.034 1.00 0.68 H new ATOM 1289 N GLY A 87 3.890 -0.166 1.161 1.00 0.65 N ATOM 1290 CA GLY A 87 5.341 -0.045 0.992 1.00 0.67 C ATOM 1291 C GLY A 87 5.938 -0.840 -0.180 1.00 0.68 C ATOM 1292 O GLY A 87 7.124 -0.683 -0.480 1.00 0.78 O ATOM 0 H GLY A 87 3.377 0.636 0.796 1.00 0.65 H new ATOM 0 HA2 GLY A 87 5.587 1.008 0.857 1.00 0.67 H new ATOM 0 HA3 GLY A 87 5.825 -0.370 1.913 1.00 0.67 H new ATOM 1296 N SER A 88 5.130 -1.658 -0.861 1.00 0.64 N ATOM 1297 CA SER A 88 5.492 -2.316 -2.123 1.00 0.65 C ATOM 1298 C SER A 88 5.400 -1.341 -3.310 1.00 0.61 C ATOM 1299 O SER A 88 4.759 -0.285 -3.212 1.00 0.57 O ATOM 1300 CB SER A 88 4.630 -3.568 -2.333 1.00 0.67 C ATOM 1301 OG SER A 88 3.272 -3.221 -2.528 1.00 1.43 O ATOM 0 H SER A 88 4.187 -1.887 -0.546 1.00 0.64 H new ATOM 0 HA SER A 88 6.533 -2.635 -2.064 1.00 0.65 H new ATOM 0 HB2 SER A 88 4.995 -4.124 -3.196 1.00 0.67 H new ATOM 0 HB3 SER A 88 4.721 -4.226 -1.469 1.00 0.67 H new ATOM 0 HG SER A 88 2.833 -3.116 -1.658 1.00 1.43 H new ATOM 1307 N ILE A 89 6.080 -1.666 -4.417 1.00 0.64 N ATOM 1308 CA ILE A 89 6.283 -0.739 -5.549 1.00 0.61 C ATOM 1309 C ILE A 89 5.556 -1.218 -6.816 1.00 0.59 C ATOM 1310 O ILE A 89 5.762 -2.352 -7.250 1.00 0.67 O ATOM 1311 CB ILE A 89 7.787 -0.500 -5.843 1.00 0.65 C ATOM 1312 CG1 ILE A 89 8.765 -0.714 -4.662 1.00 0.75 C ATOM 1313 CG2 ILE A 89 7.959 0.910 -6.431 1.00 0.65 C ATOM 1314 CD1 ILE A 89 8.575 0.211 -3.456 1.00 0.82 C ATOM 0 H ILE A 89 6.508 -2.581 -4.558 1.00 0.64 H new ATOM 0 HA ILE A 89 5.847 0.214 -5.249 1.00 0.61 H new ATOM 0 HB ILE A 89 8.069 -1.278 -6.553 1.00 0.65 H new ATOM 0 HG12 ILE A 89 8.672 -1.745 -4.322 1.00 0.75 H new ATOM 0 HG13 ILE A 89 9.783 -0.591 -5.032 1.00 0.75 H new ATOM 0 HG21 ILE A 89 9.013 1.090 -6.642 1.00 0.65 H new ATOM 0 HG22 ILE A 89 7.385 0.992 -7.354 1.00 0.65 H new ATOM 0 HG23 ILE A 89 7.601 1.649 -5.714 1.00 0.65 H new ATOM 0 HD11 ILE A 89 9.314 -0.030 -2.692 1.00 0.82 H new ATOM 0 HD12 ILE A 89 8.701 1.247 -3.769 1.00 0.82 H new ATOM 0 HD13 ILE A 89 7.574 0.075 -3.047 1.00 0.82 H new ATOM 1326 N ASN A 90 4.738 -0.355 -7.423 1.00 0.56 N ATOM 1327 CA ASN A 90 3.921 -0.618 -8.614 1.00 0.58 C ATOM 1328 C ASN A 90 4.707 -0.370 -9.921 1.00 0.71 C ATOM 1329 O ASN A 90 5.453 0.606 -10.010 1.00 0.78 O ATOM 1330 CB ASN A 90 2.687 0.300 -8.525 1.00 0.55 C ATOM 1331 CG ASN A 90 1.637 -0.020 -9.556 1.00 0.76 C ATOM 1332 OD1 ASN A 90 1.050 -1.084 -9.558 1.00 1.67 O ATOM 1333 ND2 ASN A 90 1.356 0.891 -10.449 1.00 0.48 N ATOM 0 H ASN A 90 4.620 0.598 -7.080 1.00 0.56 H new ATOM 0 HA ASN A 90 3.625 -1.667 -8.640 1.00 0.58 H new ATOM 0 HB2 ASN A 90 2.249 0.215 -7.531 1.00 0.55 H new ATOM 0 HB3 ASN A 90 3.003 1.336 -8.646 1.00 0.55 H new ATOM 0 HD21 ASN A 90 0.640 0.711 -11.153 1.00 0.48 H new ATOM 0 HD22 ASN A 90 1.852 1.782 -10.442 1.00 0.48 H new ATOM 1340 N GLN A 91 4.534 -1.218 -10.940 1.00 0.84 N ATOM 1341 CA GLN A 91 5.324 -1.198 -12.182 1.00 0.99 C ATOM 1342 C GLN A 91 4.598 -0.514 -13.364 1.00 1.24 C ATOM 1343 O GLN A 91 4.171 0.635 -13.224 1.00 2.81 O ATOM 1344 CB GLN A 91 5.887 -2.611 -12.455 1.00 1.64 C ATOM 1345 CG GLN A 91 7.159 -2.639 -13.320 1.00 2.01 C ATOM 1346 CD GLN A 91 8.378 -2.128 -12.554 1.00 2.48 C ATOM 1347 OE1 GLN A 91 8.951 -2.815 -11.716 1.00 3.44 O ATOM 1348 NE2 GLN A 91 8.797 -0.904 -12.762 1.00 2.58 N ATOM 0 H GLN A 91 3.827 -1.953 -10.927 1.00 0.84 H new ATOM 0 HA GLN A 91 6.187 -0.545 -12.051 1.00 0.99 H new ATOM 0 HB2 GLN A 91 6.102 -3.092 -11.501 1.00 1.64 H new ATOM 0 HB3 GLN A 91 5.117 -3.206 -12.946 1.00 1.64 H new ATOM 0 HG2 GLN A 91 7.345 -3.658 -13.660 1.00 2.01 H new ATOM 0 HG3 GLN A 91 7.007 -2.028 -14.210 1.00 2.01 H new ATOM 0 HE21 GLN A 91 8.333 -0.317 -13.455 1.00 2.58 H new ATOM 0 HE22 GLN A 91 9.587 -0.538 -12.231 1.00 2.58 H new ATOM 1357 N ASN A 92 4.439 -1.170 -14.523 1.00 1.13 N ATOM 1358 CA ASN A 92 4.030 -0.547 -15.789 1.00 1.35 C ATOM 1359 C ASN A 92 2.500 -0.523 -16.008 1.00 1.34 C ATOM 1360 O ASN A 92 1.958 -1.141 -16.933 1.00 2.48 O ATOM 1361 CB ASN A 92 4.841 -1.204 -16.925 1.00 2.29 C ATOM 1362 CG ASN A 92 4.799 -0.402 -18.216 1.00 3.06 C ATOM 1363 OD1 ASN A 92 5.708 0.346 -18.556 1.00 3.71 O ATOM 1364 ND2 ASN A 92 3.726 -0.518 -18.956 1.00 3.31 N ATOM 0 H ASN A 92 4.596 -2.174 -14.607 1.00 1.13 H new ATOM 0 HA ASN A 92 4.267 0.517 -15.768 1.00 1.35 H new ATOM 0 HB2 ASN A 92 5.877 -1.318 -16.607 1.00 2.29 H new ATOM 0 HB3 ASN A 92 4.452 -2.205 -17.111 1.00 2.29 H new ATOM 0 HD21 ASN A 92 3.643 0.016 -19.821 1.00 3.31 H new ATOM 0 HD22 ASN A 92 2.973 -1.142 -18.668 1.00 3.31 H new ATOM 1371 N GLY A 93 1.788 0.194 -15.141 1.00 1.01 N ATOM 1372 CA GLY A 93 0.367 0.497 -15.337 1.00 1.25 C ATOM 1373 C GLY A 93 -0.367 0.985 -14.089 1.00 1.16 C ATOM 1374 O GLY A 93 0.063 0.736 -12.959 1.00 1.90 O ATOM 0 H GLY A 93 2.177 0.582 -14.282 1.00 1.01 H new ATOM 0 HA2 GLY A 93 0.277 1.256 -16.114 1.00 1.25 H new ATOM 0 HA3 GLY A 93 -0.132 -0.398 -15.707 1.00 1.25 H new ATOM 1378 N SER A 94 -1.475 1.698 -14.303 1.00 0.82 N ATOM 1379 CA SER A 94 -2.270 2.334 -13.247 1.00 0.72 C ATOM 1380 C SER A 94 -3.403 1.429 -12.748 1.00 0.70 C ATOM 1381 O SER A 94 -4.153 0.847 -13.540 1.00 0.92 O ATOM 1382 CB SER A 94 -2.803 3.689 -13.729 1.00 0.97 C ATOM 1383 OG SER A 94 -3.409 4.405 -12.665 1.00 2.12 O ATOM 0 H SER A 94 -1.854 1.854 -15.237 1.00 0.82 H new ATOM 0 HA SER A 94 -1.614 2.503 -12.393 1.00 0.72 H new ATOM 0 HB2 SER A 94 -1.986 4.276 -14.149 1.00 0.97 H new ATOM 0 HB3 SER A 94 -3.528 3.535 -14.528 1.00 0.97 H new ATOM 0 HG SER A 94 -2.872 4.300 -11.852 1.00 2.12 H new ATOM 1389 N LEU A 95 -3.540 1.328 -11.425 1.00 0.59 N ATOM 1390 CA LEU A 95 -4.499 0.462 -10.729 1.00 0.57 C ATOM 1391 C LEU A 95 -5.413 1.266 -9.800 1.00 0.55 C ATOM 1392 O LEU A 95 -5.016 2.308 -9.275 1.00 0.53 O ATOM 1393 CB LEU A 95 -3.731 -0.573 -9.887 1.00 0.54 C ATOM 1394 CG LEU A 95 -2.808 -1.560 -10.597 1.00 0.72 C ATOM 1395 CD1 LEU A 95 -2.090 -2.419 -9.558 1.00 0.72 C ATOM 1396 CD2 LEU A 95 -3.624 -2.442 -11.512 1.00 0.92 C ATOM 0 H LEU A 95 -2.963 1.869 -10.781 1.00 0.59 H new ATOM 0 HA LEU A 95 -5.115 -0.029 -11.482 1.00 0.57 H new ATOM 0 HB2 LEU A 95 -3.132 -0.027 -9.158 1.00 0.54 H new ATOM 0 HB3 LEU A 95 -4.465 -1.152 -9.326 1.00 0.54 H new ATOM 0 HG LEU A 95 -2.071 -1.014 -11.186 1.00 0.72 H new ATOM 0 HD11 LEU A 95 -1.430 -3.125 -10.063 1.00 0.72 H new ATOM 0 HD12 LEU A 95 -1.502 -1.779 -8.900 1.00 0.72 H new ATOM 0 HD13 LEU A 95 -2.825 -2.967 -8.969 1.00 0.72 H new ATOM 0 HD21 LEU A 95 -2.966 -3.147 -12.020 1.00 0.92 H new ATOM 0 HD22 LEU A 95 -4.361 -2.991 -10.926 1.00 0.92 H new ATOM 0 HD23 LEU A 95 -4.135 -1.825 -12.252 1.00 0.92 H new ATOM 1408 N LEU A 96 -6.612 0.743 -9.545 1.00 0.59 N ATOM 1409 CA LEU A 96 -7.582 1.305 -8.600 1.00 0.64 C ATOM 1410 C LEU A 96 -7.687 0.418 -7.352 1.00 0.55 C ATOM 1411 O LEU A 96 -8.042 -0.755 -7.474 1.00 0.54 O ATOM 1412 CB LEU A 96 -8.928 1.420 -9.333 1.00 0.91 C ATOM 1413 CG LEU A 96 -9.979 2.293 -8.640 1.00 1.53 C ATOM 1414 CD1 LEU A 96 -9.604 3.771 -8.754 1.00 2.25 C ATOM 1415 CD2 LEU A 96 -11.341 2.077 -9.298 1.00 2.34 C ATOM 0 H LEU A 96 -6.946 -0.106 -10.001 1.00 0.59 H new ATOM 0 HA LEU A 96 -7.268 2.291 -8.257 1.00 0.64 H new ATOM 0 HB2 LEU A 96 -8.747 1.821 -10.330 1.00 0.91 H new ATOM 0 HB3 LEU A 96 -9.339 0.419 -9.462 1.00 0.91 H new ATOM 0 HG LEU A 96 -10.023 2.012 -7.588 1.00 1.53 H new ATOM 0 HD11 LEU A 96 -10.361 4.378 -8.257 1.00 2.25 H new ATOM 0 HD12 LEU A 96 -8.636 3.938 -8.281 1.00 2.25 H new ATOM 0 HD13 LEU A 96 -9.547 4.052 -9.806 1.00 2.25 H new ATOM 0 HD21 LEU A 96 -12.087 2.699 -8.803 1.00 2.34 H new ATOM 0 HD22 LEU A 96 -11.283 2.349 -10.352 1.00 2.34 H new ATOM 0 HD23 LEU A 96 -11.626 1.029 -9.209 1.00 2.34 H new ATOM 1427 N ILE A 97 -7.383 0.955 -6.167 1.00 0.54 N ATOM 1428 CA ILE A 97 -7.349 0.206 -4.901 1.00 0.51 C ATOM 1429 C ILE A 97 -8.390 0.747 -3.913 1.00 0.52 C ATOM 1430 O ILE A 97 -8.412 1.939 -3.608 1.00 0.56 O ATOM 1431 CB ILE A 97 -5.925 0.209 -4.291 1.00 0.56 C ATOM 1432 CG1 ILE A 97 -4.858 -0.259 -5.309 1.00 0.80 C ATOM 1433 CG2 ILE A 97 -5.852 -0.723 -3.068 1.00 0.57 C ATOM 1434 CD1 ILE A 97 -4.169 0.889 -6.055 1.00 1.23 C ATOM 0 H ILE A 97 -7.149 1.941 -6.055 1.00 0.54 H new ATOM 0 HA ILE A 97 -7.610 -0.831 -5.114 1.00 0.51 H new ATOM 0 HB ILE A 97 -5.719 1.239 -4.000 1.00 0.56 H new ATOM 0 HG12 ILE A 97 -4.102 -0.845 -4.786 1.00 0.80 H new ATOM 0 HG13 ILE A 97 -5.328 -0.921 -6.036 1.00 0.80 H new ATOM 0 HG21 ILE A 97 -4.843 -0.705 -2.656 1.00 0.57 H new ATOM 0 HG22 ILE A 97 -6.559 -0.385 -2.310 1.00 0.57 H new ATOM 0 HG23 ILE A 97 -6.102 -1.740 -3.370 1.00 0.57 H new ATOM 0 HD11 ILE A 97 -3.435 0.482 -6.750 1.00 1.23 H new ATOM 0 HD12 ILE A 97 -4.913 1.462 -6.608 1.00 1.23 H new ATOM 0 HD13 ILE A 97 -3.668 1.540 -5.338 1.00 1.23 H new ATOM 1446 N CYS A 98 -9.230 -0.133 -3.365 1.00 0.54 N ATOM 1447 CA CYS A 98 -10.144 0.216 -2.275 1.00 0.59 C ATOM 1448 C CYS A 98 -9.412 0.185 -0.922 1.00 0.69 C ATOM 1449 O CYS A 98 -8.738 -0.794 -0.591 1.00 0.82 O ATOM 1450 CB CYS A 98 -11.397 -0.676 -2.323 1.00 0.60 C ATOM 1451 SG CYS A 98 -11.027 -2.446 -2.130 1.00 1.39 S ATOM 0 H CYS A 98 -9.296 -1.106 -3.663 1.00 0.54 H new ATOM 0 HA CYS A 98 -10.493 1.241 -2.402 1.00 0.59 H new ATOM 0 HB2 CYS A 98 -12.085 -0.368 -1.535 1.00 0.60 H new ATOM 0 HB3 CYS A 98 -11.909 -0.520 -3.272 1.00 0.60 H new ATOM 0 HG CYS A 98 -10.017 -2.763 -2.884 1.00 1.39 H new ATOM 1457 N ALA A 99 -9.520 1.258 -0.132 1.00 0.74 N ATOM 1458 CA ALA A 99 -8.939 1.329 1.206 1.00 0.85 C ATOM 1459 C ALA A 99 -9.907 0.758 2.254 1.00 0.94 C ATOM 1460 O ALA A 99 -11.060 1.180 2.344 1.00 1.07 O ATOM 1461 CB ALA A 99 -8.547 2.781 1.507 1.00 0.93 C ATOM 0 H ALA A 99 -10.017 2.105 -0.408 1.00 0.74 H new ATOM 0 HA ALA A 99 -8.039 0.715 1.250 1.00 0.85 H new ATOM 0 HB1 ALA A 99 -8.112 2.841 2.505 1.00 0.93 H new ATOM 0 HB2 ALA A 99 -7.817 3.121 0.772 1.00 0.93 H new ATOM 0 HB3 ALA A 99 -9.433 3.415 1.458 1.00 0.93 H new ATOM 1467 N THR A 100 -9.417 -0.199 3.039 1.00 0.97 N ATOM 1468 CA THR A 100 -10.196 -1.034 3.979 1.00 1.00 C ATOM 1469 C THR A 100 -9.551 -1.169 5.363 1.00 0.91 C ATOM 1470 O THR A 100 -10.160 -1.726 6.280 1.00 0.98 O ATOM 1471 CB THR A 100 -10.344 -2.441 3.377 1.00 1.17 C ATOM 1472 OG1 THR A 100 -9.082 -2.842 2.879 1.00 2.22 O ATOM 1473 CG2 THR A 100 -11.335 -2.455 2.214 1.00 2.27 C ATOM 0 H THR A 100 -8.424 -0.432 3.045 1.00 0.97 H new ATOM 0 HA THR A 100 -11.157 -0.539 4.119 1.00 1.00 H new ATOM 0 HB THR A 100 -10.710 -3.112 4.154 1.00 1.17 H new ATOM 0 HG1 THR A 100 -8.464 -2.981 3.627 1.00 2.22 H new ATOM 0 HG21 THR A 100 -11.413 -3.466 1.815 1.00 2.27 H new ATOM 0 HG22 THR A 100 -12.313 -2.127 2.566 1.00 2.27 H new ATOM 0 HG23 THR A 100 -10.987 -1.781 1.431 1.00 2.27 H new ATOM 1481 N HIS A 101 -8.355 -0.605 5.534 1.00 0.82 N ATOM 1482 CA HIS A 101 -7.538 -0.614 6.746 1.00 0.82 C ATOM 1483 C HIS A 101 -6.731 0.699 6.814 1.00 0.75 C ATOM 1484 O HIS A 101 -6.379 1.250 5.766 1.00 0.71 O ATOM 1485 CB HIS A 101 -6.570 -1.817 6.709 1.00 1.07 C ATOM 1486 CG HIS A 101 -7.195 -3.154 6.382 1.00 1.41 C ATOM 1487 ND1 HIS A 101 -7.221 -3.732 5.136 1.00 1.75 N ATOM 1488 CD2 HIS A 101 -7.828 -4.017 7.237 1.00 1.65 C ATOM 1489 CE1 HIS A 101 -7.885 -4.893 5.221 1.00 2.09 C ATOM 1490 NE2 HIS A 101 -8.283 -5.121 6.488 1.00 2.02 N ATOM 0 H HIS A 101 -7.901 -0.095 4.776 1.00 0.82 H new ATOM 0 HA HIS A 101 -8.179 -0.699 7.624 1.00 0.82 H new ATOM 0 HB2 HIS A 101 -5.792 -1.611 5.974 1.00 1.07 H new ATOM 0 HB3 HIS A 101 -6.079 -1.894 7.679 1.00 1.07 H new ATOM 0 HD1 HIS A 101 -6.805 -3.343 4.290 1.00 1.75 H new ATOM 0 HD2 HIS A 101 -7.956 -3.876 8.300 1.00 1.65 H new ATOM 0 HE1 HIS A 101 -8.075 -5.555 4.389 1.00 2.09 H new ATOM 1498 N VAL A 102 -6.410 1.192 8.015 1.00 0.90 N ATOM 1499 CA VAL A 102 -5.455 2.307 8.232 1.00 1.06 C ATOM 1500 C VAL A 102 -4.126 1.802 8.815 1.00 1.22 C ATOM 1501 O VAL A 102 -3.999 0.621 9.139 1.00 1.23 O ATOM 1502 CB VAL A 102 -6.065 3.462 9.054 1.00 1.07 C ATOM 1503 CG1 VAL A 102 -7.193 4.150 8.276 1.00 1.65 C ATOM 1504 CG2 VAL A 102 -6.590 3.029 10.425 1.00 1.51 C ATOM 0 H VAL A 102 -6.807 0.829 8.882 1.00 0.90 H new ATOM 0 HA VAL A 102 -5.233 2.731 7.253 1.00 1.06 H new ATOM 0 HB VAL A 102 -5.246 4.160 9.227 1.00 1.07 H new ATOM 0 HG11 VAL A 102 -7.607 4.960 8.876 1.00 1.65 H new ATOM 0 HG12 VAL A 102 -6.798 4.554 7.344 1.00 1.65 H new ATOM 0 HG13 VAL A 102 -7.977 3.426 8.055 1.00 1.65 H new ATOM 0 HG21 VAL A 102 -7.004 3.893 10.945 1.00 1.51 H new ATOM 0 HG22 VAL A 102 -7.368 2.276 10.296 1.00 1.51 H new ATOM 0 HG23 VAL A 102 -5.773 2.609 11.012 1.00 1.51 H new ATOM 1514 N GLY A 103 -3.112 2.670 8.944 1.00 1.43 N ATOM 1515 CA GLY A 103 -1.737 2.280 9.297 1.00 1.64 C ATOM 1516 C GLY A 103 -1.610 1.423 10.565 1.00 1.77 C ATOM 1517 O GLY A 103 -0.816 0.479 10.589 1.00 1.85 O ATOM 0 H GLY A 103 -3.224 3.674 8.805 1.00 1.43 H new ATOM 0 HA2 GLY A 103 -1.305 1.730 8.461 1.00 1.64 H new ATOM 0 HA3 GLY A 103 -1.141 3.183 9.426 1.00 1.64 H new ATOM 1521 N ALA A 104 -2.441 1.673 11.579 1.00 1.86 N ATOM 1522 CA ALA A 104 -2.483 0.901 12.823 1.00 2.03 C ATOM 1523 C ALA A 104 -2.826 -0.595 12.633 1.00 1.92 C ATOM 1524 O ALA A 104 -2.320 -1.429 13.385 1.00 1.98 O ATOM 1525 CB ALA A 104 -3.482 1.583 13.766 1.00 2.31 C ATOM 0 H ALA A 104 -3.119 2.435 11.558 1.00 1.86 H new ATOM 0 HA ALA A 104 -1.479 0.896 13.248 1.00 2.03 H new ATOM 0 HB1 ALA A 104 -3.534 1.029 14.703 1.00 2.31 H new ATOM 0 HB2 ALA A 104 -3.155 2.604 13.966 1.00 2.31 H new ATOM 0 HB3 ALA A 104 -4.467 1.602 13.300 1.00 2.31 H new ATOM 1531 N ASP A 105 -3.638 -0.975 11.641 1.00 1.88 N ATOM 1532 CA ASP A 105 -3.887 -2.385 11.292 1.00 1.97 C ATOM 1533 C ASP A 105 -2.731 -3.060 10.523 1.00 1.78 C ATOM 1534 O ASP A 105 -2.713 -4.284 10.409 1.00 1.98 O ATOM 1535 CB ASP A 105 -5.220 -2.521 10.550 1.00 2.34 C ATOM 1536 CG ASP A 105 -5.594 -3.993 10.323 1.00 2.91 C ATOM 1537 OD1 ASP A 105 -5.957 -4.694 11.302 1.00 3.10 O ATOM 1538 OD2 ASP A 105 -5.513 -4.463 9.167 1.00 3.88 O ATOM 0 H ASP A 105 -4.145 -0.314 11.053 1.00 1.88 H new ATOM 0 HA ASP A 105 -3.947 -2.929 12.234 1.00 1.97 H new ATOM 0 HB2 ASP A 105 -6.007 -2.029 11.122 1.00 2.34 H new ATOM 0 HB3 ASP A 105 -5.156 -2.009 9.590 1.00 2.34 H new ATOM 1543 N THR A 106 -1.755 -2.320 9.982 1.00 1.60 N ATOM 1544 CA THR A 106 -0.754 -2.898 9.059 1.00 1.65 C ATOM 1545 C THR A 106 0.202 -3.874 9.744 1.00 1.67 C ATOM 1546 O THR A 106 0.643 -3.635 10.875 1.00 1.57 O ATOM 1547 CB THR A 106 0.084 -1.845 8.313 1.00 1.63 C ATOM 1548 OG1 THR A 106 0.854 -1.061 9.199 1.00 2.04 O ATOM 1549 CG2 THR A 106 -0.767 -0.927 7.437 1.00 1.53 C ATOM 0 H THR A 106 -1.632 -1.324 10.163 1.00 1.60 H new ATOM 0 HA THR A 106 -1.363 -3.437 8.334 1.00 1.65 H new ATOM 0 HB THR A 106 0.752 -2.412 7.665 1.00 1.63 H new ATOM 0 HG1 THR A 106 0.345 -0.265 9.459 1.00 2.04 H new ATOM 0 HG21 THR A 106 -0.124 -0.204 6.935 1.00 1.53 H new ATOM 0 HG22 THR A 106 -1.295 -1.522 6.692 1.00 1.53 H new ATOM 0 HG23 THR A 106 -1.490 -0.399 8.058 1.00 1.53 H new ATOM 1557 N THR A 107 0.606 -4.932 9.027 1.00 1.86 N ATOM 1558 CA THR A 107 1.658 -5.858 9.492 1.00 1.96 C ATOM 1559 C THR A 107 3.000 -5.132 9.631 1.00 1.76 C ATOM 1560 O THR A 107 3.740 -5.391 10.573 1.00 1.78 O ATOM 1561 CB THR A 107 1.766 -7.116 8.603 1.00 2.30 C ATOM 1562 OG1 THR A 107 2.446 -8.152 9.292 1.00 2.86 O ATOM 1563 CG2 THR A 107 2.467 -6.904 7.262 1.00 2.44 C ATOM 0 H THR A 107 0.219 -5.172 8.115 1.00 1.86 H new ATOM 0 HA THR A 107 1.369 -6.212 10.482 1.00 1.96 H new ATOM 0 HB THR A 107 0.732 -7.381 8.384 1.00 2.30 H new ATOM 0 HG1 THR A 107 2.505 -8.943 8.717 1.00 2.86 H new ATOM 0 HG21 THR A 107 2.492 -7.845 6.712 1.00 2.44 H new ATOM 0 HG22 THR A 107 1.924 -6.159 6.681 1.00 2.44 H new ATOM 0 HG23 THR A 107 3.486 -6.557 7.435 1.00 2.44 H new ATOM 1571 N LEU A 108 3.270 -4.134 8.776 1.00 1.61 N ATOM 1572 CA LEU A 108 4.464 -3.282 8.840 1.00 1.43 C ATOM 1573 C LEU A 108 4.641 -2.646 10.230 1.00 1.29 C ATOM 1574 O LEU A 108 5.694 -2.770 10.854 1.00 1.31 O ATOM 1575 CB LEU A 108 4.357 -2.143 7.804 1.00 1.33 C ATOM 1576 CG LEU A 108 4.553 -2.491 6.316 1.00 0.93 C ATOM 1577 CD1 LEU A 108 3.392 -3.256 5.687 1.00 1.47 C ATOM 1578 CD2 LEU A 108 4.692 -1.172 5.565 1.00 0.98 C ATOM 0 H LEU A 108 2.649 -3.893 8.004 1.00 1.61 H new ATOM 0 HA LEU A 108 5.322 -3.920 8.629 1.00 1.43 H new ATOM 0 HB2 LEU A 108 3.373 -1.686 7.912 1.00 1.33 H new ATOM 0 HB3 LEU A 108 5.092 -1.383 8.068 1.00 1.33 H new ATOM 0 HG LEU A 108 5.427 -3.138 6.249 1.00 0.93 H new ATOM 0 HD11 LEU A 108 3.615 -3.459 4.639 1.00 1.47 H new ATOM 0 HD12 LEU A 108 3.248 -4.198 6.216 1.00 1.47 H new ATOM 0 HD13 LEU A 108 2.483 -2.658 5.755 1.00 1.47 H new ATOM 0 HD21 LEU A 108 4.833 -1.371 4.503 1.00 0.98 H new ATOM 0 HD22 LEU A 108 3.790 -0.576 5.706 1.00 0.98 H new ATOM 0 HD23 LEU A 108 5.552 -0.624 5.949 1.00 0.98 H new ATOM 1590 N SER A 109 3.588 -1.980 10.714 1.00 1.19 N ATOM 1591 CA SER A 109 3.553 -1.350 12.040 1.00 1.10 C ATOM 1592 C SER A 109 3.476 -2.391 13.162 1.00 1.17 C ATOM 1593 O SER A 109 3.943 -2.148 14.273 1.00 1.16 O ATOM 1594 CB SER A 109 2.383 -0.364 12.134 1.00 1.07 C ATOM 1595 OG SER A 109 2.561 0.703 11.214 1.00 2.02 O ATOM 0 H SER A 109 2.722 -1.861 10.188 1.00 1.19 H new ATOM 0 HA SER A 109 4.486 -0.801 12.169 1.00 1.10 H new ATOM 0 HB2 SER A 109 1.446 -0.880 11.925 1.00 1.07 H new ATOM 0 HB3 SER A 109 2.311 0.030 13.148 1.00 1.07 H new ATOM 0 HG SER A 109 2.141 0.471 10.359 1.00 2.02 H new ATOM 1601 N GLN A 110 2.923 -3.572 12.875 1.00 1.31 N ATOM 1602 CA GLN A 110 2.785 -4.646 13.862 1.00 1.37 C ATOM 1603 C GLN A 110 4.140 -5.269 14.220 1.00 1.48 C ATOM 1604 O GLN A 110 4.441 -5.477 15.395 1.00 1.53 O ATOM 1605 CB GLN A 110 1.800 -5.704 13.343 1.00 1.54 C ATOM 1606 CG GLN A 110 1.194 -6.537 14.472 1.00 1.51 C ATOM 1607 CD GLN A 110 0.204 -5.694 15.263 1.00 1.45 C ATOM 1608 OE1 GLN A 110 0.496 -5.195 16.341 1.00 1.61 O ATOM 1609 NE2 GLN A 110 -0.968 -5.439 14.728 1.00 1.51 N ATOM 0 H GLN A 110 2.559 -3.811 11.953 1.00 1.31 H new ATOM 0 HA GLN A 110 2.387 -4.218 14.782 1.00 1.37 H new ATOM 0 HB2 GLN A 110 1.001 -5.212 12.789 1.00 1.54 H new ATOM 0 HB3 GLN A 110 2.314 -6.363 12.644 1.00 1.54 H new ATOM 0 HG2 GLN A 110 0.692 -7.413 14.061 1.00 1.51 H new ATOM 0 HG3 GLN A 110 1.982 -6.901 15.131 1.00 1.51 H new ATOM 0 HE21 GLN A 110 -1.219 -5.851 13.829 1.00 1.51 H new ATOM 0 HE22 GLN A 110 -1.627 -4.829 15.211 1.00 1.51 H new ATOM 1618 N ILE A 111 4.978 -5.499 13.206 1.00 1.57 N ATOM 1619 CA ILE A 111 6.341 -6.044 13.349 1.00 1.75 C ATOM 1620 C ILE A 111 7.166 -5.171 14.307 1.00 1.67 C ATOM 1621 O ILE A 111 7.703 -5.666 15.299 1.00 1.84 O ATOM 1622 CB ILE A 111 7.018 -6.165 11.960 1.00 1.87 C ATOM 1623 CG1 ILE A 111 6.330 -7.249 11.096 1.00 2.04 C ATOM 1624 CG2 ILE A 111 8.520 -6.495 12.082 1.00 2.03 C ATOM 1625 CD1 ILE A 111 6.577 -7.061 9.592 1.00 2.11 C ATOM 0 H ILE A 111 4.726 -5.308 12.236 1.00 1.57 H new ATOM 0 HA ILE A 111 6.283 -7.044 13.779 1.00 1.75 H new ATOM 0 HB ILE A 111 6.911 -5.194 11.476 1.00 1.87 H new ATOM 0 HG12 ILE A 111 6.692 -8.231 11.398 1.00 2.04 H new ATOM 0 HG13 ILE A 111 5.257 -7.232 11.288 1.00 2.04 H new ATOM 0 HG21 ILE A 111 8.958 -6.571 11.087 1.00 2.03 H new ATOM 0 HG22 ILE A 111 9.022 -5.704 12.640 1.00 2.03 H new ATOM 0 HG23 ILE A 111 8.643 -7.443 12.606 1.00 2.03 H new ATOM 0 HD11 ILE A 111 6.070 -7.851 9.038 1.00 2.11 H new ATOM 0 HD12 ILE A 111 6.190 -6.092 9.278 1.00 2.11 H new ATOM 0 HD13 ILE A 111 7.647 -7.107 9.391 1.00 2.11 H new ATOM 1637 N VAL A 112 7.230 -3.860 14.048 1.00 1.46 N ATOM 1638 CA VAL A 112 8.049 -2.932 14.850 1.00 1.48 C ATOM 1639 C VAL A 112 7.543 -2.750 16.284 1.00 1.58 C ATOM 1640 O VAL A 112 8.338 -2.405 17.157 1.00 1.78 O ATOM 1641 CB VAL A 112 8.241 -1.572 14.157 1.00 1.33 C ATOM 1642 CG1 VAL A 112 8.947 -1.737 12.809 1.00 1.29 C ATOM 1643 CG2 VAL A 112 6.926 -0.837 13.905 1.00 1.17 C ATOM 0 H VAL A 112 6.722 -3.412 13.285 1.00 1.46 H new ATOM 0 HA VAL A 112 9.025 -3.411 14.924 1.00 1.48 H new ATOM 0 HB VAL A 112 8.847 -0.982 14.845 1.00 1.33 H new ATOM 0 HG11 VAL A 112 9.070 -0.760 12.341 1.00 1.29 H new ATOM 0 HG12 VAL A 112 9.926 -2.191 12.964 1.00 1.29 H new ATOM 0 HG13 VAL A 112 8.349 -2.377 12.161 1.00 1.29 H new ATOM 0 HG21 VAL A 112 7.129 0.115 13.414 1.00 1.17 H new ATOM 0 HG22 VAL A 112 6.286 -1.445 13.266 1.00 1.17 H new ATOM 0 HG23 VAL A 112 6.423 -0.655 14.855 1.00 1.17 H new ATOM 1653 N LYS A 113 6.253 -3.004 16.554 1.00 1.51 N ATOM 1654 CA LYS A 113 5.716 -3.099 17.921 1.00 1.63 C ATOM 1655 C LYS A 113 6.141 -4.394 18.617 1.00 1.80 C ATOM 1656 O LYS A 113 6.684 -4.345 19.717 1.00 2.02 O ATOM 1657 CB LYS A 113 4.191 -2.947 17.925 1.00 1.59 C ATOM 1658 CG LYS A 113 3.773 -1.494 17.643 1.00 1.54 C ATOM 1659 CD LYS A 113 2.250 -1.320 17.659 1.00 1.65 C ATOM 1660 CE LYS A 113 1.628 -2.098 16.500 1.00 2.46 C ATOM 1661 NZ LYS A 113 0.153 -1.978 16.477 1.00 2.67 N ATOM 0 H LYS A 113 5.551 -3.150 15.829 1.00 1.51 H new ATOM 0 HA LYS A 113 6.142 -2.274 18.491 1.00 1.63 H new ATOM 0 HB2 LYS A 113 3.756 -3.605 17.173 1.00 1.59 H new ATOM 0 HB3 LYS A 113 3.795 -3.261 18.891 1.00 1.59 H new ATOM 0 HG2 LYS A 113 4.221 -0.837 18.389 1.00 1.54 H new ATOM 0 HG3 LYS A 113 4.163 -1.187 16.672 1.00 1.54 H new ATOM 0 HD2 LYS A 113 1.844 -1.675 18.606 1.00 1.65 H new ATOM 0 HD3 LYS A 113 1.995 -0.263 17.578 1.00 1.65 H new ATOM 0 HE2 LYS A 113 2.036 -1.732 15.558 1.00 2.46 H new ATOM 0 HE3 LYS A 113 1.905 -3.149 16.580 1.00 2.46 H new ATOM 0 HZ1 LYS A 113 -0.227 -2.521 15.675 1.00 2.67 H new ATOM 0 HZ2 LYS A 113 -0.240 -2.351 17.365 1.00 2.67 H new ATOM 0 HZ3 LYS A 113 -0.112 -0.978 16.375 1.00 2.67 H new ATOM 1675 N LEU A 114 5.924 -5.547 17.979 1.00 1.76 N ATOM 1676 CA LEU A 114 6.168 -6.867 18.562 1.00 1.96 C ATOM 1677 C LEU A 114 7.640 -7.099 18.919 1.00 2.07 C ATOM 1678 O LEU A 114 7.925 -7.600 20.010 1.00 2.28 O ATOM 1679 CB LEU A 114 5.682 -7.930 17.557 1.00 1.99 C ATOM 1680 CG LEU A 114 4.174 -8.199 17.572 1.00 2.27 C ATOM 1681 CD1 LEU A 114 3.814 -9.181 16.456 1.00 2.24 C ATOM 1682 CD2 LEU A 114 3.713 -8.796 18.906 1.00 2.95 C ATOM 0 H LEU A 114 5.567 -5.589 17.024 1.00 1.76 H new ATOM 0 HA LEU A 114 5.618 -6.937 19.501 1.00 1.96 H new ATOM 0 HB2 LEU A 114 5.969 -7.616 16.553 1.00 1.99 H new ATOM 0 HB3 LEU A 114 6.204 -8.865 17.760 1.00 1.99 H new ATOM 0 HG LEU A 114 3.673 -7.242 17.426 1.00 2.27 H new ATOM 0 HD11 LEU A 114 2.741 -9.370 16.470 1.00 2.24 H new ATOM 0 HD12 LEU A 114 4.095 -8.756 15.493 1.00 2.24 H new ATOM 0 HD13 LEU A 114 4.349 -10.118 16.609 1.00 2.24 H new ATOM 0 HD21 LEU A 114 2.638 -8.971 18.874 1.00 2.95 H new ATOM 0 HD22 LEU A 114 4.229 -9.740 19.080 1.00 2.95 H new ATOM 0 HD23 LEU A 114 3.944 -8.102 19.714 1.00 2.95 H new ATOM 1694 N VAL A 115 8.554 -6.701 18.028 1.00 1.99 N ATOM 1695 CA VAL A 115 10.006 -6.828 18.241 1.00 2.16 C ATOM 1696 C VAL A 115 10.465 -5.904 19.370 1.00 2.26 C ATOM 1697 O VAL A 115 11.115 -6.363 20.303 1.00 2.62 O ATOM 1698 CB VAL A 115 10.795 -6.588 16.937 1.00 2.14 C ATOM 1699 CG1 VAL A 115 12.312 -6.643 17.165 1.00 2.52 C ATOM 1700 CG2 VAL A 115 10.450 -7.651 15.886 1.00 2.12 C ATOM 0 H VAL A 115 8.309 -6.279 17.132 1.00 1.99 H new ATOM 0 HA VAL A 115 10.217 -7.853 18.546 1.00 2.16 H new ATOM 0 HB VAL A 115 10.512 -5.594 16.590 1.00 2.14 H new ATOM 0 HG11 VAL A 115 12.828 -6.469 16.221 1.00 2.52 H new ATOM 0 HG12 VAL A 115 12.600 -5.875 17.883 1.00 2.52 H new ATOM 0 HG13 VAL A 115 12.586 -7.624 17.553 1.00 2.52 H new ATOM 0 HG21 VAL A 115 11.019 -7.461 14.976 1.00 2.12 H new ATOM 0 HG22 VAL A 115 10.702 -8.639 16.271 1.00 2.12 H new ATOM 0 HG23 VAL A 115 9.384 -7.610 15.663 1.00 2.12 H new ATOM 1710 N GLU A 116 10.107 -4.618 19.332 1.00 2.10 N ATOM 1711 CA GLU A 116 10.492 -3.646 20.369 1.00 2.28 C ATOM 1712 C GLU A 116 10.047 -4.047 21.792 1.00 2.72 C ATOM 1713 O GLU A 116 10.777 -3.829 22.759 1.00 2.97 O ATOM 1714 CB GLU A 116 9.878 -2.289 19.997 1.00 2.16 C ATOM 1715 CG GLU A 116 10.445 -1.107 20.796 1.00 2.48 C ATOM 1716 CD GLU A 116 9.312 -0.198 21.271 1.00 2.90 C ATOM 1717 OE1 GLU A 116 8.809 0.622 20.464 1.00 3.82 O ATOM 1718 OE2 GLU A 116 8.888 -0.323 22.448 1.00 3.32 O ATOM 0 H GLU A 116 9.542 -4.217 18.583 1.00 2.10 H new ATOM 0 HA GLU A 116 11.581 -3.605 20.398 1.00 2.28 H new ATOM 0 HB2 GLU A 116 10.040 -2.107 18.935 1.00 2.16 H new ATOM 0 HB3 GLU A 116 8.800 -2.335 20.151 1.00 2.16 H new ATOM 0 HG2 GLU A 116 11.009 -1.475 21.653 1.00 2.48 H new ATOM 0 HG3 GLU A 116 11.140 -0.540 20.177 1.00 2.48 H new ATOM 1725 N GLU A 117 8.864 -4.647 21.933 1.00 2.88 N ATOM 1726 CA GLU A 117 8.346 -5.157 23.207 1.00 3.38 C ATOM 1727 C GLU A 117 9.016 -6.467 23.682 1.00 3.56 C ATOM 1728 O GLU A 117 8.932 -6.797 24.868 1.00 3.99 O ATOM 1729 CB GLU A 117 6.830 -5.333 23.056 1.00 3.56 C ATOM 1730 CG GLU A 117 6.096 -4.004 22.798 1.00 3.67 C ATOM 1731 CD GLU A 117 5.752 -3.263 24.090 1.00 4.50 C ATOM 1732 OE1 GLU A 117 4.824 -3.714 24.805 1.00 4.47 O ATOM 1733 OE2 GLU A 117 6.397 -2.220 24.372 1.00 5.61 O ATOM 0 H GLU A 117 8.226 -4.796 21.151 1.00 2.88 H new ATOM 0 HA GLU A 117 8.584 -4.432 23.985 1.00 3.38 H new ATOM 0 HB2 GLU A 117 6.629 -6.019 22.233 1.00 3.56 H new ATOM 0 HB3 GLU A 117 6.431 -5.793 23.960 1.00 3.56 H new ATOM 0 HG2 GLU A 117 6.718 -3.365 22.172 1.00 3.67 H new ATOM 0 HG3 GLU A 117 5.180 -4.201 22.241 1.00 3.67 H new ATOM 1740 N ALA A 118 9.633 -7.242 22.779 1.00 3.34 N ATOM 1741 CA ALA A 118 10.201 -8.558 23.085 1.00 3.65 C ATOM 1742 C ALA A 118 11.481 -8.453 23.935 1.00 3.91 C ATOM 1743 O ALA A 118 11.607 -9.150 24.951 1.00 4.55 O ATOM 1744 CB ALA A 118 10.380 -9.344 21.781 1.00 3.49 C ATOM 0 H ALA A 118 9.752 -6.967 21.804 1.00 3.34 H new ATOM 0 HA ALA A 118 9.508 -9.119 23.712 1.00 3.65 H new ATOM 0 HB1 ALA A 118 10.802 -10.324 22.002 1.00 3.49 H new ATOM 0 HB2 ALA A 118 9.412 -9.467 21.295 1.00 3.49 H new ATOM 0 HB3 ALA A 118 11.053 -8.800 21.118 1.00 3.49 H new ATOM 1750 N GLN A 119 12.390 -7.531 23.592 1.00 3.58 N ATOM 1751 CA GLN A 119 13.567 -7.172 24.402 1.00 3.92 C ATOM 1752 C GLN A 119 13.208 -6.625 25.790 1.00 4.33 C ATOM 1753 O GLN A 119 12.209 -5.882 25.926 1.00 5.04 O ATOM 1754 CB GLN A 119 14.440 -6.176 23.615 1.00 3.64 C ATOM 1755 CG GLN A 119 15.248 -6.799 22.467 1.00 3.57 C ATOM 1756 CD GLN A 119 14.626 -6.440 21.134 1.00 3.44 C ATOM 1757 OE1 GLN A 119 14.859 -5.383 20.554 1.00 4.27 O ATOM 1758 NE2 GLN A 119 13.717 -7.256 20.682 1.00 3.17 N ATOM 0 H GLN A 119 12.328 -7.000 22.723 1.00 3.58 H new ATOM 0 HA GLN A 119 14.129 -8.087 24.590 1.00 3.92 H new ATOM 0 HB2 GLN A 119 13.799 -5.395 23.207 1.00 3.64 H new ATOM 0 HB3 GLN A 119 15.130 -5.693 24.307 1.00 3.64 H new ATOM 0 HG2 GLN A 119 16.278 -6.444 22.503 1.00 3.57 H new ATOM 0 HG3 GLN A 119 15.280 -7.883 22.581 1.00 3.57 H new ATOM 0 HE21 GLN A 119 13.530 -8.132 21.170 1.00 3.17 H new ATOM 0 HE22 GLN A 119 13.192 -7.019 19.840 1.00 3.17 H new TER 1767 GLN A 119