USER MOD reduce.3.24.130724 H: found=0, std=0, add=901, rem=0, adj=22 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 1 SER OG : rot -73:sc= 0.96 USER MOD Set 1.2: A 119 GLN : amide:sc= 0.841 K(o=1.8,f=-1.1) USER MOD Set 2.1: A 110 GLN : amide:sc= -0.0484 X(o=-0.048,f=-0.085) USER MOD Set 2.2: A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 62 SER OG : rot 0:sc= 0.00528 USER MOD Set 3.2: A 90 ASN : amide:sc= 0.986 K(o=0.99,f=0.28) USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 87:sc= 1.24 USER MOD Single : A 11 GLN : amide:sc= -0.3 K(o=-0.3,f=-1.4) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 6:sc= 0.112 USER MOD Single : A 24 ASN : amide:sc= 0.915 K(o=0.91,f=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 175:sc= 1.26 (180deg=1.19) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot -96:sc= 0.0027 USER MOD Single : A 70 THR OG1 : rot -170:sc= 1.45 USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 169:sc= 1.27 (180deg=1.17) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 130:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot -82:sc= 1.25 USER MOD Single : A 91 GLN : amide:sc= -0.0138 X(o=-0.014,f=0) USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 SER OG : rot 49:sc= 1.27 USER MOD Single : A 98 CYS SG : rot -50:sc= 1.27 USER MOD Single : A 100 THR OG1 : rot -30:sc= 0.193 USER MOD Single : A 101 HIS : no HE2:sc= -0.881 K(o=-0.88,f=-3.2!) USER MOD Single : A 106 THR OG1 : rot 84:sc= 1.28 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot -133:sc= 1.31 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 17.376 -4.425 14.935 1.00 1.98 N ATOM 2 CA SER A 1 16.890 -3.309 15.764 1.00 2.03 C ATOM 3 C SER A 1 16.971 -1.974 15.022 1.00 2.14 C ATOM 4 O SER A 1 16.047 -1.171 15.134 1.00 2.21 O ATOM 5 CB SER A 1 17.663 -3.213 17.084 1.00 2.43 C ATOM 6 OG SER A 1 17.488 -4.386 17.864 1.00 3.16 O ATOM 0 H1 SER A 1 17.305 -5.313 15.472 1.00 1.98 H new ATOM 0 H2 SER A 1 16.798 -4.495 14.073 1.00 1.98 H new ATOM 0 H3 SER A 1 18.368 -4.257 14.673 1.00 1.98 H new ATOM 0 HA SER A 1 15.843 -3.519 15.984 1.00 2.03 H new ATOM 0 HB2 SER A 1 18.723 -3.064 16.878 1.00 2.43 H new ATOM 0 HB3 SER A 1 17.322 -2.344 17.647 1.00 2.43 H new ATOM 0 HG SER A 1 16.581 -4.400 18.235 1.00 3.16 H new ATOM 12 N GLU A 2 18.001 -1.746 14.197 1.00 2.37 N ATOM 13 CA GLU A 2 18.037 -0.577 13.301 1.00 2.54 C ATOM 14 C GLU A 2 17.130 -0.746 12.068 1.00 2.19 C ATOM 15 O GLU A 2 16.629 0.249 11.538 1.00 2.15 O ATOM 16 CB GLU A 2 19.475 -0.197 12.920 1.00 3.16 C ATOM 17 CG GLU A 2 20.189 -1.231 12.046 1.00 2.77 C ATOM 18 CD GLU A 2 21.544 -0.702 11.583 1.00 3.39 C ATOM 19 OE1 GLU A 2 22.518 -0.733 12.374 1.00 4.63 O ATOM 20 OE2 GLU A 2 21.665 -0.295 10.402 1.00 3.55 O ATOM 0 H GLU A 2 18.819 -2.352 14.129 1.00 2.37 H new ATOM 0 HA GLU A 2 17.624 0.260 13.864 1.00 2.54 H new ATOM 0 HB2 GLU A 2 19.459 0.757 12.394 1.00 3.16 H new ATOM 0 HB3 GLU A 2 20.053 -0.048 13.832 1.00 3.16 H new ATOM 0 HG2 GLU A 2 20.326 -2.156 12.606 1.00 2.77 H new ATOM 0 HG3 GLU A 2 19.572 -1.471 11.180 1.00 2.77 H new ATOM 27 N ALA A 3 16.818 -1.984 11.658 1.00 2.03 N ATOM 28 CA ALA A 3 15.821 -2.289 10.624 1.00 1.83 C ATOM 29 C ALA A 3 14.367 -1.978 11.038 1.00 1.43 C ATOM 30 O ALA A 3 13.462 -2.093 10.208 1.00 1.09 O ATOM 31 CB ALA A 3 15.942 -3.769 10.242 1.00 1.90 C ATOM 0 H ALA A 3 17.261 -2.817 12.044 1.00 2.03 H new ATOM 0 HA ALA A 3 16.037 -1.638 9.777 1.00 1.83 H new ATOM 0 HB1 ALA A 3 15.206 -4.008 9.474 1.00 1.90 H new ATOM 0 HB2 ALA A 3 16.943 -3.965 9.859 1.00 1.90 H new ATOM 0 HB3 ALA A 3 15.763 -4.388 11.121 1.00 1.90 H new ATOM 37 N LEU A 4 14.119 -1.635 12.310 1.00 1.60 N ATOM 38 CA LEU A 4 12.781 -1.372 12.846 1.00 1.38 C ATOM 39 C LEU A 4 12.068 -0.269 12.050 1.00 1.13 C ATOM 40 O LEU A 4 11.002 -0.516 11.484 1.00 1.19 O ATOM 41 CB LEU A 4 12.914 -1.046 14.348 1.00 1.95 C ATOM 42 CG LEU A 4 11.583 -0.882 15.102 1.00 2.01 C ATOM 43 CD1 LEU A 4 10.907 -2.236 15.249 1.00 1.86 C ATOM 44 CD2 LEU A 4 11.835 -0.366 16.517 1.00 2.62 C ATOM 0 H LEU A 4 14.858 -1.531 13.006 1.00 1.60 H new ATOM 0 HA LEU A 4 12.151 -2.255 12.741 1.00 1.38 H new ATOM 0 HB2 LEU A 4 13.489 -1.839 14.826 1.00 1.95 H new ATOM 0 HB3 LEU A 4 13.489 -0.126 14.454 1.00 1.95 H new ATOM 0 HG LEU A 4 10.964 -0.185 14.538 1.00 2.01 H new ATOM 0 HD11 LEU A 4 9.965 -2.116 15.783 1.00 1.86 H new ATOM 0 HD12 LEU A 4 10.713 -2.655 14.262 1.00 1.86 H new ATOM 0 HD13 LEU A 4 11.558 -2.909 15.807 1.00 1.86 H new ATOM 0 HD21 LEU A 4 10.884 -0.255 17.038 1.00 2.62 H new ATOM 0 HD22 LEU A 4 12.464 -1.075 17.056 1.00 2.62 H new ATOM 0 HD23 LEU A 4 12.337 0.600 16.468 1.00 2.62 H new ATOM 56 N ALA A 5 12.676 0.909 11.885 1.00 1.47 N ATOM 57 CA ALA A 5 12.105 1.994 11.094 1.00 1.54 C ATOM 58 C ALA A 5 12.077 1.759 9.570 1.00 1.09 C ATOM 59 O ALA A 5 11.469 2.573 8.872 1.00 1.28 O ATOM 60 CB ALA A 5 12.860 3.285 11.439 1.00 2.15 C ATOM 0 H ALA A 5 13.581 1.134 12.299 1.00 1.47 H new ATOM 0 HA ALA A 5 11.051 2.061 11.364 1.00 1.54 H new ATOM 0 HB1 ALA A 5 12.450 4.112 10.859 1.00 2.15 H new ATOM 0 HB2 ALA A 5 12.750 3.498 12.502 1.00 2.15 H new ATOM 0 HB3 ALA A 5 13.917 3.163 11.201 1.00 2.15 H new ATOM 66 N LYS A 6 12.691 0.701 9.011 1.00 0.81 N ATOM 67 CA LYS A 6 12.652 0.472 7.551 1.00 0.69 C ATOM 68 C LYS A 6 11.224 0.189 7.078 1.00 0.71 C ATOM 69 O LYS A 6 10.763 0.822 6.133 1.00 0.80 O ATOM 70 CB LYS A 6 13.659 -0.610 7.121 1.00 0.77 C ATOM 71 CG LYS A 6 13.674 -0.765 5.589 1.00 1.03 C ATOM 72 CD LYS A 6 14.976 -1.386 5.071 1.00 1.36 C ATOM 73 CE LYS A 6 14.931 -1.485 3.540 1.00 1.74 C ATOM 74 NZ LYS A 6 16.250 -1.824 2.960 1.00 2.12 N ATOM 0 H LYS A 6 13.213 -0.000 9.536 1.00 0.81 H new ATOM 0 HA LYS A 6 12.968 1.388 7.052 1.00 0.69 H new ATOM 0 HB2 LYS A 6 14.656 -0.346 7.474 1.00 0.77 H new ATOM 0 HB3 LYS A 6 13.398 -1.561 7.585 1.00 0.77 H new ATOM 0 HG2 LYS A 6 12.833 -1.386 5.282 1.00 1.03 H new ATOM 0 HG3 LYS A 6 13.533 0.212 5.127 1.00 1.03 H new ATOM 0 HD2 LYS A 6 15.827 -0.780 5.381 1.00 1.36 H new ATOM 0 HD3 LYS A 6 15.115 -2.376 5.505 1.00 1.36 H new ATOM 0 HE2 LYS A 6 14.203 -2.242 3.248 1.00 1.74 H new ATOM 0 HE3 LYS A 6 14.588 -0.537 3.127 1.00 1.74 H new ATOM 0 HZ1 LYS A 6 16.170 -1.880 1.925 1.00 2.12 H new ATOM 0 HZ2 LYS A 6 16.940 -1.089 3.215 1.00 2.12 H new ATOM 0 HZ3 LYS A 6 16.568 -2.742 3.333 1.00 2.12 H new ATOM 88 N LEU A 7 10.493 -0.649 7.819 1.00 0.72 N ATOM 89 CA LEU A 7 9.056 -0.910 7.639 1.00 0.82 C ATOM 90 C LEU A 7 8.264 0.407 7.528 1.00 1.02 C ATOM 91 O LEU A 7 7.505 0.607 6.586 1.00 1.24 O ATOM 92 CB LEU A 7 8.536 -1.731 8.843 1.00 0.79 C ATOM 93 CG LEU A 7 8.842 -3.243 8.889 1.00 0.73 C ATOM 94 CD1 LEU A 7 8.057 -4.023 7.836 1.00 0.91 C ATOM 95 CD2 LEU A 7 10.321 -3.580 8.728 1.00 0.81 C ATOM 0 H LEU A 7 10.896 -1.184 8.588 1.00 0.72 H new ATOM 0 HA LEU A 7 8.915 -1.470 6.714 1.00 0.82 H new ATOM 0 HB2 LEU A 7 8.941 -1.283 9.750 1.00 0.79 H new ATOM 0 HB3 LEU A 7 7.453 -1.610 8.884 1.00 0.79 H new ATOM 0 HG LEU A 7 8.530 -3.544 9.889 1.00 0.73 H new ATOM 0 HD11 LEU A 7 8.306 -5.082 7.907 1.00 0.91 H new ATOM 0 HD12 LEU A 7 6.989 -3.889 8.005 1.00 0.91 H new ATOM 0 HD13 LEU A 7 8.316 -3.656 6.843 1.00 0.91 H new ATOM 0 HD21 LEU A 7 10.455 -4.661 8.771 1.00 0.81 H new ATOM 0 HD22 LEU A 7 10.676 -3.209 7.767 1.00 0.81 H new ATOM 0 HD23 LEU A 7 10.890 -3.112 9.531 1.00 0.81 H new ATOM 107 N ILE A 8 8.508 1.333 8.459 1.00 1.02 N ATOM 108 CA ILE A 8 7.850 2.646 8.529 1.00 1.16 C ATOM 109 C ILE A 8 8.297 3.578 7.387 1.00 1.09 C ATOM 110 O ILE A 8 7.510 4.378 6.878 1.00 1.13 O ATOM 111 CB ILE A 8 8.126 3.279 9.914 1.00 1.30 C ATOM 112 CG1 ILE A 8 7.651 2.381 11.079 1.00 1.40 C ATOM 113 CG2 ILE A 8 7.503 4.677 10.037 1.00 1.43 C ATOM 114 CD1 ILE A 8 6.136 2.165 11.172 1.00 1.52 C ATOM 0 H ILE A 8 9.187 1.189 9.207 1.00 1.02 H new ATOM 0 HA ILE A 8 6.776 2.504 8.405 1.00 1.16 H new ATOM 0 HB ILE A 8 9.209 3.376 9.988 1.00 1.30 H new ATOM 0 HG12 ILE A 8 8.134 1.408 10.985 1.00 1.40 H new ATOM 0 HG13 ILE A 8 7.996 2.819 12.016 1.00 1.40 H new ATOM 0 HG21 ILE A 8 7.720 5.086 11.024 1.00 1.43 H new ATOM 0 HG22 ILE A 8 7.923 5.331 9.273 1.00 1.43 H new ATOM 0 HG23 ILE A 8 6.424 4.607 9.902 1.00 1.43 H new ATOM 0 HD11 ILE A 8 5.912 1.521 12.023 1.00 1.52 H new ATOM 0 HD12 ILE A 8 5.639 3.126 11.303 1.00 1.52 H new ATOM 0 HD13 ILE A 8 5.779 1.694 10.256 1.00 1.52 H new ATOM 126 N SER A 9 9.558 3.474 6.963 1.00 1.01 N ATOM 127 CA SER A 9 10.171 4.308 5.924 1.00 0.98 C ATOM 128 C SER A 9 9.746 3.911 4.509 1.00 1.02 C ATOM 129 O SER A 9 9.768 4.750 3.610 1.00 1.14 O ATOM 130 CB SER A 9 11.695 4.259 6.043 1.00 0.92 C ATOM 131 OG SER A 9 12.096 4.691 7.331 1.00 1.05 O ATOM 0 H SER A 9 10.204 2.783 7.346 1.00 1.01 H new ATOM 0 HA SER A 9 9.815 5.325 6.088 1.00 0.98 H new ATOM 0 HB2 SER A 9 12.049 3.244 5.865 1.00 0.92 H new ATOM 0 HB3 SER A 9 12.148 4.893 5.281 1.00 0.92 H new ATOM 0 HG SER A 9 12.090 3.930 7.948 1.00 1.05 H new ATOM 137 N LEU A 10 9.336 2.657 4.285 1.00 1.05 N ATOM 138 CA LEU A 10 8.742 2.226 3.014 1.00 1.21 C ATOM 139 C LEU A 10 7.356 2.852 2.765 1.00 1.30 C ATOM 140 O LEU A 10 6.970 3.010 1.608 1.00 1.45 O ATOM 141 CB LEU A 10 8.688 0.686 2.930 1.00 1.35 C ATOM 142 CG LEU A 10 9.893 0.051 2.206 1.00 1.48 C ATOM 143 CD1 LEU A 10 11.152 0.023 3.069 1.00 2.04 C ATOM 144 CD2 LEU A 10 9.569 -1.391 1.818 1.00 1.42 C ATOM 0 H LEU A 10 9.407 1.913 4.979 1.00 1.05 H new ATOM 0 HA LEU A 10 9.391 2.591 2.218 1.00 1.21 H new ATOM 0 HB2 LEU A 10 8.630 0.280 3.940 1.00 1.35 H new ATOM 0 HB3 LEU A 10 7.773 0.393 2.415 1.00 1.35 H new ATOM 0 HG LEU A 10 10.082 0.669 1.329 1.00 1.48 H new ATOM 0 HD11 LEU A 10 11.967 -0.434 2.508 1.00 2.04 H new ATOM 0 HD12 LEU A 10 11.427 1.041 3.344 1.00 2.04 H new ATOM 0 HD13 LEU A 10 10.962 -0.558 3.972 1.00 2.04 H new ATOM 0 HD21 LEU A 10 10.425 -1.832 1.307 1.00 1.42 H new ATOM 0 HD22 LEU A 10 9.346 -1.968 2.715 1.00 1.42 H new ATOM 0 HD23 LEU A 10 8.705 -1.404 1.154 1.00 1.42 H new ATOM 156 N GLN A 11 6.604 3.220 3.809 1.00 1.30 N ATOM 157 CA GLN A 11 5.237 3.735 3.670 1.00 1.43 C ATOM 158 C GLN A 11 5.185 5.139 3.057 1.00 1.38 C ATOM 159 O GLN A 11 5.954 6.032 3.423 1.00 1.31 O ATOM 160 CB GLN A 11 4.518 3.756 5.025 1.00 1.50 C ATOM 161 CG GLN A 11 4.407 2.386 5.697 1.00 1.41 C ATOM 162 CD GLN A 11 3.614 2.512 6.991 1.00 1.53 C ATOM 163 OE1 GLN A 11 4.113 2.901 8.039 1.00 2.06 O ATOM 164 NE2 GLN A 11 2.326 2.267 6.952 1.00 2.68 N ATOM 0 H GLN A 11 6.927 3.169 4.775 1.00 1.30 H new ATOM 0 HA GLN A 11 4.731 3.052 2.988 1.00 1.43 H new ATOM 0 HB2 GLN A 11 5.047 4.435 5.694 1.00 1.50 H new ATOM 0 HB3 GLN A 11 3.516 4.162 4.886 1.00 1.50 H new ATOM 0 HG2 GLN A 11 3.917 1.680 5.026 1.00 1.41 H new ATOM 0 HG3 GLN A 11 5.401 1.991 5.905 1.00 1.41 H new ATOM 0 HE21 GLN A 11 1.895 1.942 6.087 1.00 2.68 H new ATOM 0 HE22 GLN A 11 1.756 2.401 7.787 1.00 2.68 H new ATOM 173 N ALA A 12 4.208 5.359 2.177 1.00 1.48 N ATOM 174 CA ALA A 12 3.904 6.682 1.644 1.00 1.30 C ATOM 175 C ALA A 12 3.286 7.592 2.728 1.00 1.25 C ATOM 176 O ALA A 12 2.643 7.111 3.668 1.00 2.02 O ATOM 177 CB ALA A 12 3.004 6.510 0.418 1.00 1.42 C ATOM 0 H ALA A 12 3.605 4.621 1.814 1.00 1.48 H new ATOM 0 HA ALA A 12 4.818 7.187 1.332 1.00 1.30 H new ATOM 0 HB1 ALA A 12 2.764 7.489 0.003 1.00 1.42 H new ATOM 0 HB2 ALA A 12 3.522 5.914 -0.333 1.00 1.42 H new ATOM 0 HB3 ALA A 12 2.084 6.004 0.710 1.00 1.42 H new ATOM 183 N THR A 13 3.481 8.905 2.586 1.00 1.15 N ATOM 184 CA THR A 13 2.994 9.940 3.525 1.00 1.13 C ATOM 185 C THR A 13 1.800 10.725 2.954 1.00 0.94 C ATOM 186 O THR A 13 1.229 11.610 3.591 1.00 0.98 O ATOM 187 CB THR A 13 4.128 10.903 3.925 1.00 1.34 C ATOM 188 OG1 THR A 13 5.383 10.256 3.997 1.00 1.94 O ATOM 189 CG2 THR A 13 3.874 11.451 5.323 1.00 1.86 C ATOM 0 H THR A 13 3.995 9.297 1.797 1.00 1.15 H new ATOM 0 HA THR A 13 2.648 9.419 4.417 1.00 1.13 H new ATOM 0 HB THR A 13 4.144 11.681 3.162 1.00 1.34 H new ATOM 0 HG1 THR A 13 6.072 10.905 4.252 1.00 1.94 H new ATOM 0 HG21 THR A 13 4.680 12.131 5.599 1.00 1.86 H new ATOM 0 HG22 THR A 13 2.925 11.988 5.337 1.00 1.86 H new ATOM 0 HG23 THR A 13 3.835 10.627 6.035 1.00 1.86 H new ATOM 197 N GLU A 14 1.418 10.419 1.722 1.00 0.86 N ATOM 198 CA GLU A 14 0.387 11.082 0.922 1.00 0.78 C ATOM 199 C GLU A 14 -0.422 10.086 0.071 1.00 0.71 C ATOM 200 O GLU A 14 0.089 9.020 -0.283 1.00 0.76 O ATOM 201 CB GLU A 14 1.033 12.167 0.051 1.00 0.95 C ATOM 202 CG GLU A 14 2.246 11.719 -0.788 1.00 1.18 C ATOM 203 CD GLU A 14 3.558 11.640 0.017 1.00 2.42 C ATOM 204 OE1 GLU A 14 4.096 12.707 0.412 1.00 2.92 O ATOM 205 OE2 GLU A 14 4.081 10.517 0.231 1.00 3.91 O ATOM 0 H GLU A 14 1.849 9.646 1.215 1.00 0.86 H new ATOM 0 HA GLU A 14 -0.325 11.548 1.603 1.00 0.78 H new ATOM 0 HB2 GLU A 14 0.275 12.564 -0.624 1.00 0.95 H new ATOM 0 HB3 GLU A 14 1.345 12.987 0.697 1.00 0.95 H new ATOM 0 HG2 GLU A 14 2.036 10.741 -1.221 1.00 1.18 H new ATOM 0 HG3 GLU A 14 2.380 12.413 -1.618 1.00 1.18 H new ATOM 212 N ALA A 15 -1.672 10.430 -0.260 1.00 0.66 N ATOM 213 CA ALA A 15 -2.587 9.617 -1.073 1.00 0.63 C ATOM 214 C ALA A 15 -3.469 10.465 -2.021 1.00 0.61 C ATOM 215 O ALA A 15 -3.660 11.661 -1.796 1.00 0.71 O ATOM 216 CB ALA A 15 -3.446 8.766 -0.125 1.00 0.65 C ATOM 0 H ALA A 15 -2.089 11.311 0.040 1.00 0.66 H new ATOM 0 HA ALA A 15 -1.994 8.976 -1.726 1.00 0.63 H new ATOM 0 HB1 ALA A 15 -4.134 8.154 -0.708 1.00 0.65 H new ATOM 0 HB2 ALA A 15 -2.800 8.120 0.470 1.00 0.65 H new ATOM 0 HB3 ALA A 15 -4.014 9.420 0.537 1.00 0.65 H new ATOM 222 N THR A 16 -4.053 9.827 -3.045 1.00 0.56 N ATOM 223 CA THR A 16 -5.047 10.426 -3.958 1.00 0.53 C ATOM 224 C THR A 16 -6.418 9.753 -3.832 1.00 0.49 C ATOM 225 O THR A 16 -6.618 8.633 -4.310 1.00 0.56 O ATOM 226 CB THR A 16 -4.577 10.402 -5.420 1.00 0.67 C ATOM 227 OG1 THR A 16 -3.380 11.133 -5.558 1.00 0.86 O ATOM 228 CG2 THR A 16 -5.574 11.086 -6.361 1.00 0.71 C ATOM 0 H THR A 16 -3.844 8.854 -3.270 1.00 0.56 H new ATOM 0 HA THR A 16 -5.149 11.468 -3.654 1.00 0.53 H new ATOM 0 HB THR A 16 -4.462 9.349 -5.677 1.00 0.67 H new ATOM 0 HG1 THR A 16 -3.088 11.110 -6.493 1.00 0.86 H new ATOM 0 HG21 THR A 16 -5.198 11.044 -7.383 1.00 0.71 H new ATOM 0 HG22 THR A 16 -6.535 10.575 -6.307 1.00 0.71 H new ATOM 0 HG23 THR A 16 -5.700 12.127 -6.064 1.00 0.71 H new ATOM 236 N ILE A 17 -7.391 10.453 -3.239 1.00 0.48 N ATOM 237 CA ILE A 17 -8.784 9.979 -3.146 1.00 0.52 C ATOM 238 C ILE A 17 -9.517 10.318 -4.448 1.00 0.56 C ATOM 239 O ILE A 17 -9.481 11.468 -4.899 1.00 0.64 O ATOM 240 CB ILE A 17 -9.533 10.541 -1.908 1.00 0.54 C ATOM 241 CG1 ILE A 17 -8.676 10.487 -0.618 1.00 0.62 C ATOM 242 CG2 ILE A 17 -10.858 9.771 -1.730 1.00 0.58 C ATOM 243 CD1 ILE A 17 -9.374 11.012 0.644 1.00 0.67 C ATOM 0 H ILE A 17 -7.239 11.365 -2.808 1.00 0.48 H new ATOM 0 HA ILE A 17 -8.765 8.898 -3.008 1.00 0.52 H new ATOM 0 HB ILE A 17 -9.741 11.596 -2.085 1.00 0.54 H new ATOM 0 HG12 ILE A 17 -8.372 9.455 -0.444 1.00 0.62 H new ATOM 0 HG13 ILE A 17 -7.766 11.065 -0.779 1.00 0.62 H new ATOM 0 HG21 ILE A 17 -11.391 10.160 -0.862 1.00 0.58 H new ATOM 0 HG22 ILE A 17 -11.474 9.897 -2.620 1.00 0.58 H new ATOM 0 HG23 ILE A 17 -10.646 8.712 -1.582 1.00 0.58 H new ATOM 0 HD11 ILE A 17 -8.696 10.934 1.494 1.00 0.67 H new ATOM 0 HD12 ILE A 17 -9.654 12.055 0.498 1.00 0.67 H new ATOM 0 HD13 ILE A 17 -10.269 10.420 0.838 1.00 0.67 H new ATOM 255 N VAL A 18 -10.205 9.341 -5.045 1.00 0.56 N ATOM 256 CA VAL A 18 -10.917 9.497 -6.329 1.00 0.66 C ATOM 257 C VAL A 18 -12.413 9.196 -6.206 1.00 0.83 C ATOM 258 O VAL A 18 -12.809 8.255 -5.522 1.00 0.93 O ATOM 259 CB VAL A 18 -10.248 8.684 -7.453 1.00 0.94 C ATOM 260 CG1 VAL A 18 -8.825 9.197 -7.704 1.00 2.51 C ATOM 261 CG2 VAL A 18 -10.163 7.178 -7.170 1.00 1.50 C ATOM 0 H VAL A 18 -10.288 8.404 -4.650 1.00 0.56 H new ATOM 0 HA VAL A 18 -10.840 10.548 -6.608 1.00 0.66 H new ATOM 0 HB VAL A 18 -10.886 8.822 -8.326 1.00 0.94 H new ATOM 0 HG11 VAL A 18 -8.363 8.614 -8.501 1.00 2.51 H new ATOM 0 HG12 VAL A 18 -8.863 10.246 -7.997 1.00 2.51 H new ATOM 0 HG13 VAL A 18 -8.236 9.096 -6.792 1.00 2.51 H new ATOM 0 HG21 VAL A 18 -9.680 6.677 -8.009 1.00 1.50 H new ATOM 0 HG22 VAL A 18 -9.582 7.010 -6.263 1.00 1.50 H new ATOM 0 HG23 VAL A 18 -11.167 6.776 -7.037 1.00 1.50 H new ATOM 271 N THR A 19 -13.248 10.006 -6.852 1.00 1.06 N ATOM 272 CA THR A 19 -14.711 9.999 -6.675 1.00 1.36 C ATOM 273 C THR A 19 -15.443 10.190 -8.003 1.00 1.50 C ATOM 274 O THR A 19 -15.040 11.025 -8.817 1.00 1.36 O ATOM 275 CB THR A 19 -15.112 11.097 -5.673 1.00 1.48 C ATOM 276 OG1 THR A 19 -14.597 10.801 -4.390 1.00 1.60 O ATOM 277 CG2 THR A 19 -16.620 11.238 -5.502 1.00 1.99 C ATOM 0 H THR A 19 -12.928 10.701 -7.527 1.00 1.06 H new ATOM 0 HA THR A 19 -15.004 9.025 -6.284 1.00 1.36 H new ATOM 0 HB THR A 19 -14.706 12.021 -6.084 1.00 1.48 H new ATOM 0 HG1 THR A 19 -14.857 11.507 -3.762 1.00 1.60 H new ATOM 0 HG21 THR A 19 -16.832 12.029 -4.783 1.00 1.99 H new ATOM 0 HG22 THR A 19 -17.073 11.489 -6.461 1.00 1.99 H new ATOM 0 HG23 THR A 19 -17.035 10.297 -5.140 1.00 1.99 H new ATOM 285 N LEU A 20 -16.536 9.439 -8.194 1.00 1.84 N ATOM 286 CA LEU A 20 -17.510 9.630 -9.278 1.00 2.00 C ATOM 287 C LEU A 20 -18.779 10.288 -8.708 1.00 2.17 C ATOM 288 O LEU A 20 -19.178 9.929 -7.600 1.00 2.41 O ATOM 289 CB LEU A 20 -17.872 8.293 -9.958 1.00 2.45 C ATOM 290 CG LEU A 20 -16.723 7.355 -10.360 1.00 2.54 C ATOM 291 CD1 LEU A 20 -17.286 6.154 -11.122 1.00 3.45 C ATOM 292 CD2 LEU A 20 -15.707 8.058 -11.253 1.00 2.58 C ATOM 0 H LEU A 20 -16.774 8.659 -7.581 1.00 1.84 H new ATOM 0 HA LEU A 20 -17.061 10.274 -10.034 1.00 2.00 H new ATOM 0 HB2 LEU A 20 -18.532 7.744 -9.286 1.00 2.45 H new ATOM 0 HB3 LEU A 20 -18.448 8.520 -10.855 1.00 2.45 H new ATOM 0 HG LEU A 20 -16.223 7.036 -9.445 1.00 2.54 H new ATOM 0 HD11 LEU A 20 -16.471 5.489 -11.407 1.00 3.45 H new ATOM 0 HD12 LEU A 20 -17.988 5.615 -10.485 1.00 3.45 H new ATOM 0 HD13 LEU A 20 -17.801 6.501 -12.018 1.00 3.45 H new ATOM 0 HD21 LEU A 20 -14.910 7.362 -11.516 1.00 2.58 H new ATOM 0 HD22 LEU A 20 -16.200 8.405 -12.161 1.00 2.58 H new ATOM 0 HD23 LEU A 20 -15.284 8.910 -10.721 1.00 2.58 H new ATOM 304 N ASP A 21 -19.430 11.221 -9.414 1.00 2.45 N ATOM 305 CA ASP A 21 -20.637 11.894 -8.874 1.00 2.88 C ATOM 306 C ASP A 21 -21.716 12.306 -9.909 1.00 2.92 C ATOM 307 O ASP A 21 -22.551 13.170 -9.630 1.00 3.14 O ATOM 308 CB ASP A 21 -20.205 13.046 -7.939 1.00 2.97 C ATOM 309 CG ASP A 21 -20.948 13.014 -6.601 1.00 3.93 C ATOM 310 OD1 ASP A 21 -22.106 13.491 -6.520 1.00 4.88 O ATOM 311 OD2 ASP A 21 -20.350 12.548 -5.604 1.00 4.39 O ATOM 0 H ASP A 21 -19.154 11.529 -10.346 1.00 2.45 H new ATOM 0 HA ASP A 21 -21.174 11.140 -8.298 1.00 2.88 H new ATOM 0 HB2 ASP A 21 -19.132 12.982 -7.758 1.00 2.97 H new ATOM 0 HB3 ASP A 21 -20.389 14.000 -8.432 1.00 2.97 H new ATOM 316 N SER A 22 -21.721 11.688 -11.099 1.00 2.89 N ATOM 317 CA SER A 22 -22.779 11.879 -12.118 1.00 3.02 C ATOM 318 C SER A 22 -23.125 10.583 -12.856 1.00 3.40 C ATOM 319 O SER A 22 -24.194 10.007 -12.645 1.00 4.22 O ATOM 320 CB SER A 22 -22.443 12.976 -13.148 1.00 2.87 C ATOM 321 OG SER A 22 -22.447 14.262 -12.567 1.00 2.77 O ATOM 0 H SER A 22 -20.991 11.038 -11.389 1.00 2.89 H new ATOM 0 HA SER A 22 -23.649 12.204 -11.548 1.00 3.02 H new ATOM 0 HB2 SER A 22 -21.464 12.777 -13.584 1.00 2.87 H new ATOM 0 HB3 SER A 22 -23.167 12.943 -13.962 1.00 2.87 H new ATOM 0 HG SER A 22 -22.576 14.183 -11.599 1.00 2.77 H new ATOM 327 N ASP A 23 -22.233 10.149 -13.750 1.00 3.70 N ATOM 328 CA ASP A 23 -22.336 8.931 -14.568 1.00 4.32 C ATOM 329 C ASP A 23 -20.930 8.553 -15.090 1.00 4.30 C ATOM 330 O ASP A 23 -20.686 8.446 -16.292 1.00 4.87 O ATOM 331 CB ASP A 23 -23.359 9.156 -15.704 1.00 4.89 C ATOM 332 CG ASP A 23 -23.795 7.862 -16.398 1.00 5.82 C ATOM 333 OD1 ASP A 23 -23.398 6.761 -15.954 1.00 5.92 O ATOM 334 OD2 ASP A 23 -24.586 7.940 -17.371 1.00 6.79 O ATOM 0 H ASP A 23 -21.372 10.663 -13.935 1.00 3.70 H new ATOM 0 HA ASP A 23 -22.700 8.093 -13.974 1.00 4.32 H new ATOM 0 HB2 ASP A 23 -24.238 9.655 -15.297 1.00 4.89 H new ATOM 0 HB3 ASP A 23 -22.926 9.828 -16.445 1.00 4.89 H new ATOM 339 N ASN A 24 -19.951 8.498 -14.176 1.00 3.82 N ATOM 340 CA ASN A 24 -18.495 8.420 -14.419 1.00 3.82 C ATOM 341 C ASN A 24 -17.892 9.668 -15.117 1.00 3.74 C ATOM 342 O ASN A 24 -16.685 9.891 -15.037 1.00 3.92 O ATOM 343 CB ASN A 24 -18.140 7.102 -15.143 1.00 4.57 C ATOM 344 CG ASN A 24 -16.810 6.485 -14.791 1.00 5.21 C ATOM 345 OD1 ASN A 24 -16.688 5.278 -14.631 1.00 5.20 O ATOM 346 ND2 ASN A 24 -15.765 7.248 -14.687 1.00 6.41 N ATOM 0 H ASN A 24 -20.165 8.507 -13.179 1.00 3.82 H new ATOM 0 HA ASN A 24 -18.018 8.415 -13.439 1.00 3.82 H new ATOM 0 HB2 ASN A 24 -18.922 6.373 -14.931 1.00 4.57 H new ATOM 0 HB3 ASN A 24 -18.159 7.286 -16.217 1.00 4.57 H new ATOM 0 HD21 ASN A 24 -14.855 6.840 -14.474 1.00 6.41 H new ATOM 0 HD22 ASN A 24 -15.854 8.256 -14.818 1.00 6.41 H new ATOM 353 N ILE A 25 -18.703 10.508 -15.770 1.00 3.68 N ATOM 354 CA ILE A 25 -18.283 11.750 -16.445 1.00 3.73 C ATOM 355 C ILE A 25 -17.845 12.855 -15.468 1.00 3.17 C ATOM 356 O ILE A 25 -16.930 13.629 -15.761 1.00 3.39 O ATOM 357 CB ILE A 25 -19.399 12.223 -17.403 1.00 4.04 C ATOM 358 CG1 ILE A 25 -20.709 12.605 -16.668 1.00 3.78 C ATOM 359 CG2 ILE A 25 -19.655 11.120 -18.443 1.00 4.62 C ATOM 360 CD1 ILE A 25 -21.850 13.027 -17.601 1.00 4.08 C ATOM 0 H ILE A 25 -19.706 10.339 -15.848 1.00 3.68 H new ATOM 0 HA ILE A 25 -17.390 11.525 -17.029 1.00 3.73 H new ATOM 0 HB ILE A 25 -19.059 13.135 -17.893 1.00 4.04 H new ATOM 0 HG12 ILE A 25 -21.038 11.755 -16.070 1.00 3.78 H new ATOM 0 HG13 ILE A 25 -20.500 13.420 -15.975 1.00 3.78 H new ATOM 0 HG21 ILE A 25 -20.441 11.440 -19.127 1.00 4.62 H new ATOM 0 HG22 ILE A 25 -18.740 10.930 -19.005 1.00 4.62 H new ATOM 0 HG23 ILE A 25 -19.965 10.206 -17.936 1.00 4.62 H new ATOM 0 HD11 ILE A 25 -22.730 13.278 -17.009 1.00 4.08 H new ATOM 0 HD12 ILE A 25 -21.543 13.897 -18.181 1.00 4.08 H new ATOM 0 HD13 ILE A 25 -22.090 12.206 -18.277 1.00 4.08 H new ATOM 372 N LEU A 26 -18.472 12.913 -14.288 1.00 2.71 N ATOM 373 CA LEU A 26 -18.024 13.724 -13.159 1.00 2.29 C ATOM 374 C LEU A 26 -17.013 12.913 -12.346 1.00 1.92 C ATOM 375 O LEU A 26 -17.388 12.137 -11.469 1.00 2.31 O ATOM 376 CB LEU A 26 -19.225 14.221 -12.342 1.00 2.26 C ATOM 377 CG LEU A 26 -18.864 15.005 -11.067 1.00 2.45 C ATOM 378 CD1 LEU A 26 -17.823 16.088 -11.303 1.00 2.68 C ATOM 379 CD2 LEU A 26 -20.093 15.716 -10.515 1.00 2.99 C ATOM 0 H LEU A 26 -19.322 12.385 -14.091 1.00 2.71 H new ATOM 0 HA LEU A 26 -17.517 14.626 -13.503 1.00 2.29 H new ATOM 0 HB2 LEU A 26 -19.841 14.856 -12.979 1.00 2.26 H new ATOM 0 HB3 LEU A 26 -19.835 13.362 -12.062 1.00 2.26 H new ATOM 0 HG LEU A 26 -18.468 14.260 -10.377 1.00 2.45 H new ATOM 0 HD11 LEU A 26 -17.614 16.602 -10.365 1.00 2.68 H new ATOM 0 HD12 LEU A 26 -16.906 15.635 -11.681 1.00 2.68 H new ATOM 0 HD13 LEU A 26 -18.202 16.804 -12.033 1.00 2.68 H new ATOM 0 HD21 LEU A 26 -19.821 16.266 -9.614 1.00 2.99 H new ATOM 0 HD22 LEU A 26 -20.477 16.411 -11.262 1.00 2.99 H new ATOM 0 HD23 LEU A 26 -20.861 14.981 -10.274 1.00 2.99 H new ATOM 391 N LEU A 27 -15.748 13.111 -12.703 1.00 1.90 N ATOM 392 CA LEU A 27 -14.563 12.511 -12.096 1.00 1.63 C ATOM 393 C LEU A 27 -13.823 13.568 -11.262 1.00 1.41 C ATOM 394 O LEU A 27 -13.508 14.649 -11.769 1.00 1.84 O ATOM 395 CB LEU A 27 -13.711 11.907 -13.228 1.00 2.06 C ATOM 396 CG LEU A 27 -12.494 11.085 -12.769 1.00 2.85 C ATOM 397 CD1 LEU A 27 -12.905 9.860 -11.958 1.00 3.02 C ATOM 398 CD2 LEU A 27 -11.738 10.576 -13.992 1.00 3.32 C ATOM 0 H LEU A 27 -15.507 13.735 -13.473 1.00 1.90 H new ATOM 0 HA LEU A 27 -14.817 11.707 -11.405 1.00 1.63 H new ATOM 0 HB2 LEU A 27 -14.349 11.270 -13.840 1.00 2.06 H new ATOM 0 HB3 LEU A 27 -13.361 12.717 -13.868 1.00 2.06 H new ATOM 0 HG LEU A 27 -11.880 11.740 -12.151 1.00 2.85 H new ATOM 0 HD11 LEU A 27 -12.015 9.309 -11.655 1.00 3.02 H new ATOM 0 HD12 LEU A 27 -13.455 10.178 -11.072 1.00 3.02 H new ATOM 0 HD13 LEU A 27 -13.540 9.217 -12.567 1.00 3.02 H new ATOM 0 HD21 LEU A 27 -10.875 9.993 -13.670 1.00 3.32 H new ATOM 0 HD22 LEU A 27 -12.397 9.948 -14.592 1.00 3.32 H new ATOM 0 HD23 LEU A 27 -11.401 11.423 -14.590 1.00 3.32 H new ATOM 410 N SER A 28 -13.563 13.286 -9.986 1.00 1.03 N ATOM 411 CA SER A 28 -13.062 14.257 -9.000 1.00 1.01 C ATOM 412 C SER A 28 -11.925 13.655 -8.166 1.00 0.87 C ATOM 413 O SER A 28 -12.065 12.555 -7.622 1.00 0.97 O ATOM 414 CB SER A 28 -14.241 14.697 -8.127 1.00 1.20 C ATOM 415 OG SER A 28 -13.811 15.458 -7.018 1.00 1.71 O ATOM 0 H SER A 28 -13.697 12.354 -9.594 1.00 1.03 H new ATOM 0 HA SER A 28 -12.643 15.127 -9.505 1.00 1.01 H new ATOM 0 HB2 SER A 28 -14.937 15.285 -8.725 1.00 1.20 H new ATOM 0 HB3 SER A 28 -14.784 13.819 -7.778 1.00 1.20 H new ATOM 0 HG SER A 28 -14.588 15.724 -6.483 1.00 1.71 H new ATOM 421 N GLU A 29 -10.789 14.354 -8.051 1.00 0.97 N ATOM 422 CA GLU A 29 -9.541 13.825 -7.481 1.00 0.87 C ATOM 423 C GLU A 29 -8.943 14.779 -6.424 1.00 0.84 C ATOM 424 O GLU A 29 -8.748 15.975 -6.671 1.00 0.96 O ATOM 425 CB GLU A 29 -8.526 13.533 -8.607 1.00 1.11 C ATOM 426 CG GLU A 29 -9.090 12.630 -9.720 1.00 1.19 C ATOM 427 CD GLU A 29 -8.010 12.206 -10.722 1.00 1.30 C ATOM 428 OE1 GLU A 29 -7.276 11.226 -10.452 1.00 2.41 O ATOM 429 OE2 GLU A 29 -7.905 12.838 -11.803 1.00 2.15 O ATOM 0 H GLU A 29 -10.709 15.323 -8.358 1.00 0.97 H new ATOM 0 HA GLU A 29 -9.773 12.891 -6.969 1.00 0.87 H new ATOM 0 HB2 GLU A 29 -8.199 14.476 -9.045 1.00 1.11 H new ATOM 0 HB3 GLU A 29 -7.644 13.059 -8.177 1.00 1.11 H new ATOM 0 HG2 GLU A 29 -9.538 11.742 -9.274 1.00 1.19 H new ATOM 0 HG3 GLU A 29 -9.885 13.158 -10.247 1.00 1.19 H new ATOM 436 N GLU A 30 -8.617 14.244 -5.247 1.00 0.74 N ATOM 437 CA GLU A 30 -8.127 14.967 -4.063 1.00 0.70 C ATOM 438 C GLU A 30 -6.727 14.455 -3.684 1.00 0.67 C ATOM 439 O GLU A 30 -6.598 13.283 -3.331 1.00 0.65 O ATOM 440 CB GLU A 30 -9.068 14.686 -2.872 1.00 0.68 C ATOM 441 CG GLU A 30 -10.488 15.258 -2.963 1.00 0.98 C ATOM 442 CD GLU A 30 -10.578 16.622 -2.285 1.00 1.92 C ATOM 443 OE1 GLU A 30 -10.238 17.634 -2.934 1.00 2.84 O ATOM 444 OE2 GLU A 30 -10.997 16.702 -1.104 1.00 2.78 O ATOM 0 H GLU A 30 -8.690 13.240 -5.080 1.00 0.74 H new ATOM 0 HA GLU A 30 -8.093 16.033 -4.289 1.00 0.70 H new ATOM 0 HB2 GLU A 30 -9.144 13.606 -2.747 1.00 0.68 H new ATOM 0 HB3 GLU A 30 -8.600 15.079 -1.969 1.00 0.68 H new ATOM 0 HG2 GLU A 30 -10.780 15.349 -4.009 1.00 0.98 H new ATOM 0 HG3 GLU A 30 -11.191 14.569 -2.495 1.00 0.98 H new ATOM 451 N GLN A 31 -5.689 15.301 -3.693 1.00 0.82 N ATOM 452 CA GLN A 31 -4.372 14.954 -3.139 1.00 0.88 C ATOM 453 C GLN A 31 -4.316 15.326 -1.648 1.00 0.88 C ATOM 454 O GLN A 31 -4.505 16.493 -1.276 1.00 0.97 O ATOM 455 CB GLN A 31 -3.264 15.676 -3.919 1.00 1.03 C ATOM 456 CG GLN A 31 -3.071 15.146 -5.346 1.00 1.22 C ATOM 457 CD GLN A 31 -1.874 15.823 -5.965 1.00 1.70 C ATOM 458 OE1 GLN A 31 -1.918 16.942 -6.454 1.00 2.13 O ATOM 459 NE2 GLN A 31 -0.719 15.246 -5.765 1.00 2.02 N ATOM 0 H GLN A 31 -5.737 16.242 -4.083 1.00 0.82 H new ATOM 0 HA GLN A 31 -4.216 13.880 -3.235 1.00 0.88 H new ATOM 0 HB2 GLN A 31 -3.497 16.740 -3.964 1.00 1.03 H new ATOM 0 HB3 GLN A 31 -2.325 15.578 -3.374 1.00 1.03 H new ATOM 0 HG2 GLN A 31 -2.926 14.066 -5.330 1.00 1.22 H new ATOM 0 HG3 GLN A 31 -3.963 15.339 -5.943 1.00 1.22 H new ATOM 0 HE21 GLN A 31 -0.679 14.312 -5.357 1.00 2.02 H new ATOM 0 HE22 GLN A 31 0.143 15.730 -6.017 1.00 2.02 H new ATOM 468 N VAL A 32 -4.054 14.336 -0.792 1.00 0.84 N ATOM 469 CA VAL A 32 -4.163 14.432 0.674 1.00 0.85 C ATOM 470 C VAL A 32 -2.952 13.829 1.396 1.00 0.87 C ATOM 471 O VAL A 32 -2.093 13.187 0.788 1.00 0.97 O ATOM 472 CB VAL A 32 -5.470 13.772 1.177 1.00 0.86 C ATOM 473 CG1 VAL A 32 -6.721 14.407 0.557 1.00 0.90 C ATOM 474 CG2 VAL A 32 -5.533 12.257 0.942 1.00 0.88 C ATOM 0 H VAL A 32 -3.750 13.414 -1.105 1.00 0.84 H new ATOM 0 HA VAL A 32 -4.186 15.495 0.914 1.00 0.85 H new ATOM 0 HB VAL A 32 -5.455 13.951 2.252 1.00 0.86 H new ATOM 0 HG11 VAL A 32 -7.611 13.909 0.942 1.00 0.90 H new ATOM 0 HG12 VAL A 32 -6.758 15.465 0.815 1.00 0.90 H new ATOM 0 HG13 VAL A 32 -6.685 14.299 -0.527 1.00 0.90 H new ATOM 0 HG21 VAL A 32 -6.478 11.869 1.321 1.00 0.88 H new ATOM 0 HG22 VAL A 32 -5.459 12.051 -0.126 1.00 0.88 H new ATOM 0 HG23 VAL A 32 -4.707 11.773 1.463 1.00 0.88 H new ATOM 484 N ASP A 33 -2.893 14.039 2.711 1.00 0.86 N ATOM 485 CA ASP A 33 -1.970 13.357 3.623 1.00 0.89 C ATOM 486 C ASP A 33 -2.493 11.949 3.967 1.00 0.91 C ATOM 487 O ASP A 33 -3.704 11.745 4.082 1.00 0.92 O ATOM 488 CB ASP A 33 -1.790 14.215 4.881 1.00 0.95 C ATOM 489 CG ASP A 33 -0.682 13.716 5.806 1.00 1.90 C ATOM 490 OD1 ASP A 33 -0.869 12.704 6.515 1.00 3.21 O ATOM 491 OD2 ASP A 33 0.394 14.354 5.865 1.00 2.63 O ATOM 0 H ASP A 33 -3.502 14.706 3.186 1.00 0.86 H new ATOM 0 HA ASP A 33 -1.000 13.230 3.143 1.00 0.89 H new ATOM 0 HB2 ASP A 33 -1.570 15.240 4.583 1.00 0.95 H new ATOM 0 HB3 ASP A 33 -2.730 14.238 5.433 1.00 0.95 H new ATOM 496 N VAL A 34 -1.594 10.981 4.161 1.00 0.96 N ATOM 497 CA VAL A 34 -1.960 9.591 4.508 1.00 0.96 C ATOM 498 C VAL A 34 -2.789 9.476 5.800 1.00 0.99 C ATOM 499 O VAL A 34 -3.570 8.540 5.957 1.00 1.03 O ATOM 500 CB VAL A 34 -0.712 8.692 4.552 1.00 0.98 C ATOM 501 CG1 VAL A 34 0.199 8.991 5.748 1.00 1.07 C ATOM 502 CG2 VAL A 34 -1.092 7.208 4.554 1.00 1.01 C ATOM 0 H VAL A 34 -0.588 11.132 4.084 1.00 0.96 H new ATOM 0 HA VAL A 34 -2.614 9.237 3.711 1.00 0.96 H new ATOM 0 HB VAL A 34 -0.152 8.920 3.645 1.00 0.98 H new ATOM 0 HG11 VAL A 34 1.061 8.325 5.724 1.00 1.07 H new ATOM 0 HG12 VAL A 34 0.538 10.026 5.697 1.00 1.07 H new ATOM 0 HG13 VAL A 34 -0.354 8.835 6.674 1.00 1.07 H new ATOM 0 HG21 VAL A 34 -0.187 6.601 4.585 1.00 1.01 H new ATOM 0 HG22 VAL A 34 -1.705 6.991 5.428 1.00 1.01 H new ATOM 0 HG23 VAL A 34 -1.654 6.975 3.650 1.00 1.01 H new ATOM 512 N GLU A 35 -2.695 10.447 6.709 1.00 1.05 N ATOM 513 CA GLU A 35 -3.508 10.495 7.931 1.00 1.12 C ATOM 514 C GLU A 35 -4.984 10.851 7.661 1.00 1.06 C ATOM 515 O GLU A 35 -5.867 10.512 8.454 1.00 1.16 O ATOM 516 CB GLU A 35 -2.846 11.504 8.874 1.00 1.30 C ATOM 517 CG GLU A 35 -3.421 11.470 10.289 1.00 1.53 C ATOM 518 CD GLU A 35 -2.535 12.302 11.209 1.00 2.02 C ATOM 519 OE1 GLU A 35 -1.509 11.773 11.703 1.00 2.78 O ATOM 520 OE2 GLU A 35 -2.851 13.494 11.442 1.00 2.92 O ATOM 0 H GLU A 35 -2.048 11.230 6.620 1.00 1.05 H new ATOM 0 HA GLU A 35 -3.541 9.504 8.384 1.00 1.12 H new ATOM 0 HB2 GLU A 35 -1.776 11.302 8.918 1.00 1.30 H new ATOM 0 HB3 GLU A 35 -2.965 12.507 8.464 1.00 1.30 H new ATOM 0 HG2 GLU A 35 -4.438 11.862 10.291 1.00 1.53 H new ATOM 0 HG3 GLU A 35 -3.475 10.442 10.648 1.00 1.53 H new ATOM 527 N LEU A 36 -5.273 11.503 6.529 1.00 0.96 N ATOM 528 CA LEU A 36 -6.620 11.932 6.144 1.00 0.93 C ATOM 529 C LEU A 36 -7.419 10.840 5.417 1.00 0.84 C ATOM 530 O LEU A 36 -8.644 10.958 5.334 1.00 0.90 O ATOM 531 CB LEU A 36 -6.534 13.209 5.285 1.00 0.99 C ATOM 532 CG LEU A 36 -5.830 14.404 5.955 1.00 1.11 C ATOM 533 CD1 LEU A 36 -5.803 15.597 5.000 1.00 1.23 C ATOM 534 CD2 LEU A 36 -6.521 14.846 7.242 1.00 1.24 C ATOM 0 H LEU A 36 -4.562 11.752 5.842 1.00 0.96 H new ATOM 0 HA LEU A 36 -7.165 12.142 7.064 1.00 0.93 H new ATOM 0 HB2 LEU A 36 -6.009 12.971 4.360 1.00 0.99 H new ATOM 0 HB3 LEU A 36 -7.544 13.511 5.009 1.00 0.99 H new ATOM 0 HG LEU A 36 -4.821 14.071 6.200 1.00 1.11 H new ATOM 0 HD11 LEU A 36 -5.303 16.438 5.482 1.00 1.23 H new ATOM 0 HD12 LEU A 36 -5.263 15.325 4.093 1.00 1.23 H new ATOM 0 HD13 LEU A 36 -6.824 15.880 4.743 1.00 1.23 H new ATOM 0 HD21 LEU A 36 -5.983 15.691 7.672 1.00 1.24 H new ATOM 0 HD22 LEU A 36 -7.546 15.143 7.021 1.00 1.24 H new ATOM 0 HD23 LEU A 36 -6.528 14.020 7.953 1.00 1.24 H new ATOM 546 N VAL A 37 -6.768 9.772 4.934 1.00 0.80 N ATOM 547 CA VAL A 37 -7.453 8.604 4.359 1.00 0.77 C ATOM 548 C VAL A 37 -7.813 7.611 5.470 1.00 1.00 C ATOM 549 O VAL A 37 -7.022 6.764 5.888 1.00 1.89 O ATOM 550 CB VAL A 37 -6.711 8.000 3.144 1.00 0.70 C ATOM 551 CG1 VAL A 37 -5.227 7.701 3.363 1.00 0.95 C ATOM 552 CG2 VAL A 37 -7.407 6.735 2.625 1.00 0.84 C ATOM 0 H VAL A 37 -5.751 9.693 4.931 1.00 0.80 H new ATOM 0 HA VAL A 37 -8.397 8.929 3.921 1.00 0.77 H new ATOM 0 HB VAL A 37 -6.757 8.794 2.399 1.00 0.70 H new ATOM 0 HG11 VAL A 37 -4.802 7.281 2.451 1.00 0.95 H new ATOM 0 HG12 VAL A 37 -4.704 8.623 3.616 1.00 0.95 H new ATOM 0 HG13 VAL A 37 -5.116 6.986 4.178 1.00 0.95 H new ATOM 0 HG21 VAL A 37 -6.856 6.341 1.771 1.00 0.84 H new ATOM 0 HG22 VAL A 37 -7.436 5.985 3.416 1.00 0.84 H new ATOM 0 HG23 VAL A 37 -8.424 6.979 2.319 1.00 0.84 H new ATOM 562 N GLN A 38 -9.037 7.756 5.970 1.00 1.13 N ATOM 563 CA GLN A 38 -9.732 6.859 6.871 1.00 1.21 C ATOM 564 C GLN A 38 -10.282 5.660 6.070 1.00 1.15 C ATOM 565 O GLN A 38 -10.479 5.767 4.853 1.00 1.28 O ATOM 566 CB GLN A 38 -10.834 7.724 7.506 1.00 1.51 C ATOM 567 CG GLN A 38 -11.373 7.122 8.785 1.00 2.57 C ATOM 568 CD GLN A 38 -12.297 8.090 9.481 1.00 2.88 C ATOM 569 OE1 GLN A 38 -11.997 8.657 10.525 1.00 4.19 O ATOM 570 NE2 GLN A 38 -13.436 8.358 8.914 1.00 2.20 N ATOM 0 H GLN A 38 -9.607 8.568 5.734 1.00 1.13 H new ATOM 0 HA GLN A 38 -9.100 6.428 7.647 1.00 1.21 H new ATOM 0 HB2 GLN A 38 -10.438 8.718 7.714 1.00 1.51 H new ATOM 0 HB3 GLN A 38 -11.650 7.849 6.794 1.00 1.51 H new ATOM 0 HG2 GLN A 38 -11.907 6.198 8.561 1.00 2.57 H new ATOM 0 HG3 GLN A 38 -10.547 6.860 9.446 1.00 2.57 H new ATOM 0 HE21 GLN A 38 -13.695 7.892 8.045 1.00 2.20 H new ATOM 0 HE22 GLN A 38 -14.070 9.035 9.338 1.00 2.20 H new ATOM 579 N ARG A 39 -10.562 4.521 6.717 1.00 1.03 N ATOM 580 CA ARG A 39 -10.964 3.300 5.988 1.00 1.04 C ATOM 581 C ARG A 39 -12.358 3.410 5.360 1.00 1.34 C ATOM 582 O ARG A 39 -13.307 3.832 6.030 1.00 2.73 O ATOM 583 CB ARG A 39 -10.814 2.058 6.879 1.00 0.92 C ATOM 584 CG ARG A 39 -11.851 1.970 8.007 1.00 0.97 C ATOM 585 CD ARG A 39 -11.270 1.275 9.237 1.00 1.19 C ATOM 586 NE ARG A 39 -12.159 1.411 10.403 1.00 1.44 N ATOM 587 CZ ARG A 39 -12.910 0.501 10.989 1.00 1.80 C ATOM 588 NH1 ARG A 39 -13.068 -0.696 10.508 1.00 2.52 N ATOM 589 NH2 ARG A 39 -13.506 0.804 12.103 1.00 2.09 N ATOM 0 H ARG A 39 -10.520 4.414 7.731 1.00 1.03 H new ATOM 0 HA ARG A 39 -10.280 3.187 5.147 1.00 1.04 H new ATOM 0 HB2 ARG A 39 -10.892 1.166 6.257 1.00 0.92 H new ATOM 0 HB3 ARG A 39 -9.816 2.056 7.316 1.00 0.92 H new ATOM 0 HG2 ARG A 39 -12.186 2.972 8.276 1.00 0.97 H new ATOM 0 HG3 ARG A 39 -12.727 1.424 7.657 1.00 0.97 H new ATOM 0 HD2 ARG A 39 -11.113 0.219 9.019 1.00 1.19 H new ATOM 0 HD3 ARG A 39 -10.294 1.701 9.470 1.00 1.19 H new ATOM 0 HE ARG A 39 -12.199 2.343 10.816 1.00 1.44 H new ATOM 0 HH11 ARG A 39 -12.600 -0.963 9.642 1.00 2.52 H new ATOM 0 HH12 ARG A 39 -13.660 -1.368 10.997 1.00 2.52 H new ATOM 0 HH21 ARG A 39 -13.388 1.733 12.508 1.00 2.09 H new ATOM 0 HH22 ARG A 39 -14.092 0.113 12.572 1.00 2.09 H new ATOM 603 N GLY A 40 -12.504 3.000 4.101 1.00 0.81 N ATOM 604 CA GLY A 40 -13.779 2.946 3.369 1.00 0.79 C ATOM 605 C GLY A 40 -13.825 3.715 2.036 1.00 0.74 C ATOM 606 O GLY A 40 -14.919 3.931 1.511 1.00 0.88 O ATOM 0 H GLY A 40 -11.714 2.684 3.539 1.00 0.81 H new ATOM 0 HA2 GLY A 40 -14.018 1.901 3.171 1.00 0.79 H new ATOM 0 HA3 GLY A 40 -14.564 3.335 4.017 1.00 0.79 H new ATOM 610 N ASP A 41 -12.696 4.174 1.482 1.00 0.75 N ATOM 611 CA ASP A 41 -12.640 4.835 0.161 1.00 0.88 C ATOM 612 C ASP A 41 -11.809 4.064 -0.889 1.00 0.66 C ATOM 613 O ASP A 41 -11.090 3.116 -0.576 1.00 0.56 O ATOM 614 CB ASP A 41 -12.163 6.286 0.328 1.00 1.20 C ATOM 615 CG ASP A 41 -13.194 7.151 1.056 1.00 1.58 C ATOM 616 OD1 ASP A 41 -14.355 7.275 0.599 1.00 2.71 O ATOM 617 OD2 ASP A 41 -12.843 7.755 2.095 1.00 1.65 O ATOM 0 H ASP A 41 -11.786 4.099 1.937 1.00 0.75 H new ATOM 0 HA ASP A 41 -13.653 4.837 -0.242 1.00 0.88 H new ATOM 0 HB2 ASP A 41 -11.225 6.297 0.883 1.00 1.20 H new ATOM 0 HB3 ASP A 41 -11.958 6.715 -0.653 1.00 1.20 H new ATOM 622 N ILE A 42 -11.919 4.496 -2.148 1.00 0.70 N ATOM 623 CA ILE A 42 -11.139 4.023 -3.303 1.00 0.55 C ATOM 624 C ILE A 42 -10.034 5.038 -3.629 1.00 0.44 C ATOM 625 O ILE A 42 -10.315 6.234 -3.770 1.00 0.49 O ATOM 626 CB ILE A 42 -12.052 3.771 -4.526 1.00 0.67 C ATOM 627 CG1 ILE A 42 -13.150 2.716 -4.263 1.00 0.96 C ATOM 628 CG2 ILE A 42 -11.225 3.370 -5.759 1.00 0.70 C ATOM 629 CD1 ILE A 42 -12.658 1.342 -3.797 1.00 1.55 C ATOM 0 H ILE A 42 -12.587 5.222 -2.406 1.00 0.70 H new ATOM 0 HA ILE A 42 -10.674 3.071 -3.049 1.00 0.55 H new ATOM 0 HB ILE A 42 -12.558 4.717 -4.719 1.00 0.67 H new ATOM 0 HG12 ILE A 42 -13.833 3.110 -3.511 1.00 0.96 H new ATOM 0 HG13 ILE A 42 -13.726 2.583 -5.179 1.00 0.96 H new ATOM 0 HG21 ILE A 42 -11.892 3.199 -6.604 1.00 0.70 H new ATOM 0 HG22 ILE A 42 -10.526 4.170 -6.004 1.00 0.70 H new ATOM 0 HG23 ILE A 42 -10.670 2.457 -5.544 1.00 0.70 H new ATOM 0 HD11 ILE A 42 -13.512 0.683 -3.643 1.00 1.55 H new ATOM 0 HD12 ILE A 42 -12.001 0.915 -4.555 1.00 1.55 H new ATOM 0 HD13 ILE A 42 -12.110 1.450 -2.861 1.00 1.55 H new ATOM 641 N ILE A 43 -8.791 4.563 -3.755 1.00 0.41 N ATOM 642 CA ILE A 43 -7.567 5.365 -3.897 1.00 0.47 C ATOM 643 C ILE A 43 -6.824 4.988 -5.190 1.00 0.48 C ATOM 644 O ILE A 43 -6.558 3.809 -5.427 1.00 0.61 O ATOM 645 CB ILE A 43 -6.670 5.105 -2.658 1.00 0.61 C ATOM 646 CG1 ILE A 43 -7.368 5.398 -1.309 1.00 0.75 C ATOM 647 CG2 ILE A 43 -5.332 5.857 -2.724 1.00 0.66 C ATOM 648 CD1 ILE A 43 -7.905 6.822 -1.135 1.00 0.80 C ATOM 0 H ILE A 43 -8.599 3.561 -3.761 1.00 0.41 H new ATOM 0 HA ILE A 43 -7.820 6.424 -3.957 1.00 0.47 H new ATOM 0 HB ILE A 43 -6.470 4.034 -2.697 1.00 0.61 H new ATOM 0 HG12 ILE A 43 -8.197 4.700 -1.190 1.00 0.75 H new ATOM 0 HG13 ILE A 43 -6.662 5.195 -0.504 1.00 0.75 H new ATOM 0 HG21 ILE A 43 -4.747 5.637 -1.831 1.00 0.66 H new ATOM 0 HG22 ILE A 43 -4.779 5.539 -3.608 1.00 0.66 H new ATOM 0 HG23 ILE A 43 -5.520 6.929 -2.780 1.00 0.66 H new ATOM 0 HD11 ILE A 43 -8.374 6.917 -0.156 1.00 0.80 H new ATOM 0 HD12 ILE A 43 -7.083 7.533 -1.214 1.00 0.80 H new ATOM 0 HD13 ILE A 43 -8.641 7.031 -1.911 1.00 0.80 H new ATOM 660 N LYS A 44 -6.463 5.974 -6.020 1.00 0.55 N ATOM 661 CA LYS A 44 -5.686 5.787 -7.263 1.00 0.60 C ATOM 662 C LYS A 44 -4.174 5.716 -7.002 1.00 0.63 C ATOM 663 O LYS A 44 -3.641 6.562 -6.282 1.00 0.81 O ATOM 664 CB LYS A 44 -6.051 6.903 -8.243 1.00 0.81 C ATOM 665 CG LYS A 44 -5.392 6.684 -9.613 1.00 1.62 C ATOM 666 CD LYS A 44 -5.691 7.852 -10.547 1.00 2.34 C ATOM 667 CE LYS A 44 -7.063 7.782 -11.218 1.00 2.32 C ATOM 668 NZ LYS A 44 -7.323 8.976 -12.058 1.00 2.85 N ATOM 0 H LYS A 44 -6.706 6.949 -5.847 1.00 0.55 H new ATOM 0 HA LYS A 44 -5.947 4.825 -7.703 1.00 0.60 H new ATOM 0 HB2 LYS A 44 -7.134 6.946 -8.361 1.00 0.81 H new ATOM 0 HB3 LYS A 44 -5.737 7.864 -7.836 1.00 0.81 H new ATOM 0 HG2 LYS A 44 -4.314 6.576 -9.491 1.00 1.62 H new ATOM 0 HG3 LYS A 44 -5.757 5.756 -10.054 1.00 1.62 H new ATOM 0 HD2 LYS A 44 -5.622 8.781 -9.982 1.00 2.34 H new ATOM 0 HD3 LYS A 44 -4.923 7.891 -11.319 1.00 2.34 H new ATOM 0 HE2 LYS A 44 -7.122 6.884 -11.833 1.00 2.32 H new ATOM 0 HE3 LYS A 44 -7.837 7.698 -10.456 1.00 2.32 H new ATOM 0 HZ1 LYS A 44 -8.224 8.855 -12.563 1.00 2.85 H new ATOM 0 HZ2 LYS A 44 -7.375 9.821 -11.454 1.00 2.85 H new ATOM 0 HZ3 LYS A 44 -6.552 9.090 -12.747 1.00 2.85 H new ATOM 682 N VAL A 45 -3.472 4.768 -7.635 1.00 0.55 N ATOM 683 CA VAL A 45 -1.998 4.691 -7.668 1.00 0.56 C ATOM 684 C VAL A 45 -1.437 5.001 -9.067 1.00 0.70 C ATOM 685 O VAL A 45 -1.970 4.537 -10.083 1.00 0.82 O ATOM 686 CB VAL A 45 -1.497 3.343 -7.099 1.00 0.50 C ATOM 687 CG1 VAL A 45 -1.578 2.179 -8.092 1.00 0.68 C ATOM 688 CG2 VAL A 45 -0.046 3.433 -6.613 1.00 0.55 C ATOM 0 H VAL A 45 -3.920 4.012 -8.153 1.00 0.55 H new ATOM 0 HA VAL A 45 -1.607 5.470 -7.014 1.00 0.56 H new ATOM 0 HB VAL A 45 -2.174 3.140 -6.269 1.00 0.50 H new ATOM 0 HG11 VAL A 45 -1.209 1.270 -7.618 1.00 0.68 H new ATOM 0 HG12 VAL A 45 -2.614 2.033 -8.398 1.00 0.68 H new ATOM 0 HG13 VAL A 45 -0.969 2.405 -8.967 1.00 0.68 H new ATOM 0 HG21 VAL A 45 0.267 2.465 -6.221 1.00 0.55 H new ATOM 0 HG22 VAL A 45 0.600 3.714 -7.445 1.00 0.55 H new ATOM 0 HG23 VAL A 45 0.028 4.184 -5.827 1.00 0.55 H new ATOM 698 N VAL A 46 -0.363 5.794 -9.136 1.00 0.76 N ATOM 699 CA VAL A 46 0.330 6.140 -10.395 1.00 0.83 C ATOM 700 C VAL A 46 1.326 5.053 -10.850 1.00 0.74 C ATOM 701 O VAL A 46 1.804 4.271 -10.022 1.00 0.67 O ATOM 702 CB VAL A 46 1.029 7.517 -10.318 1.00 0.92 C ATOM 703 CG1 VAL A 46 0.028 8.630 -9.988 1.00 1.16 C ATOM 704 CG2 VAL A 46 2.194 7.567 -9.321 1.00 0.86 C ATOM 0 H VAL A 46 0.060 6.222 -8.312 1.00 0.76 H new ATOM 0 HA VAL A 46 -0.453 6.200 -11.151 1.00 0.83 H new ATOM 0 HB VAL A 46 1.450 7.678 -11.311 1.00 0.92 H new ATOM 0 HG11 VAL A 46 0.549 9.586 -9.941 1.00 1.16 H new ATOM 0 HG12 VAL A 46 -0.738 8.672 -10.763 1.00 1.16 H new ATOM 0 HG13 VAL A 46 -0.441 8.424 -9.026 1.00 1.16 H new ATOM 0 HG21 VAL A 46 2.633 8.565 -9.324 1.00 0.86 H new ATOM 0 HG22 VAL A 46 1.827 7.335 -8.321 1.00 0.86 H new ATOM 0 HG23 VAL A 46 2.951 6.837 -9.609 1.00 0.86 H new ATOM 714 N PRO A 47 1.710 5.004 -12.142 1.00 0.85 N ATOM 715 CA PRO A 47 2.806 4.153 -12.612 1.00 0.90 C ATOM 716 C PRO A 47 4.124 4.529 -11.917 1.00 0.77 C ATOM 717 O PRO A 47 4.418 5.719 -11.748 1.00 0.79 O ATOM 718 CB PRO A 47 2.880 4.351 -14.131 1.00 1.09 C ATOM 719 CG PRO A 47 1.504 4.919 -14.489 1.00 1.24 C ATOM 720 CD PRO A 47 1.142 5.740 -13.260 1.00 1.06 C ATOM 0 HA PRO A 47 2.633 3.104 -12.373 1.00 0.90 H new ATOM 0 HB2 PRO A 47 3.681 5.037 -14.407 1.00 1.09 H new ATOM 0 HB3 PRO A 47 3.073 3.411 -14.649 1.00 1.09 H new ATOM 0 HG2 PRO A 47 1.543 5.534 -15.388 1.00 1.24 H new ATOM 0 HG3 PRO A 47 0.777 4.128 -14.675 1.00 1.24 H new ATOM 0 HD2 PRO A 47 1.555 6.747 -13.321 1.00 1.06 H new ATOM 0 HD3 PRO A 47 0.062 5.844 -13.158 1.00 1.06 H new ATOM 728 N GLY A 48 4.909 3.543 -11.473 1.00 0.82 N ATOM 729 CA GLY A 48 6.079 3.761 -10.607 1.00 0.85 C ATOM 730 C GLY A 48 5.747 4.148 -9.152 1.00 0.83 C ATOM 731 O GLY A 48 6.658 4.486 -8.391 1.00 0.99 O ATOM 0 H GLY A 48 4.752 2.562 -11.704 1.00 0.82 H new ATOM 0 HA2 GLY A 48 6.680 2.852 -10.598 1.00 0.85 H new ATOM 0 HA3 GLY A 48 6.695 4.546 -11.045 1.00 0.85 H new ATOM 735 N GLY A 49 4.465 4.181 -8.767 1.00 0.76 N ATOM 736 CA GLY A 49 3.990 4.639 -7.456 1.00 0.75 C ATOM 737 C GLY A 49 4.199 3.659 -6.293 1.00 0.69 C ATOM 738 O GLY A 49 4.704 2.548 -6.465 1.00 0.98 O ATOM 0 H GLY A 49 3.706 3.880 -9.379 1.00 0.76 H new ATOM 0 HA2 GLY A 49 4.494 5.574 -7.214 1.00 0.75 H new ATOM 0 HA3 GLY A 49 2.926 4.861 -7.533 1.00 0.75 H new ATOM 742 N LYS A 50 3.787 4.086 -5.094 1.00 0.66 N ATOM 743 CA LYS A 50 3.921 3.365 -3.814 1.00 0.61 C ATOM 744 C LYS A 50 2.574 3.291 -3.077 1.00 0.67 C ATOM 745 O LYS A 50 1.772 4.229 -3.131 1.00 0.99 O ATOM 746 CB LYS A 50 4.994 4.058 -2.949 1.00 0.75 C ATOM 747 CG LYS A 50 6.419 3.962 -3.528 1.00 0.76 C ATOM 748 CD LYS A 50 7.403 4.856 -2.755 1.00 1.09 C ATOM 749 CE LYS A 50 8.842 4.603 -3.220 1.00 1.09 C ATOM 750 NZ LYS A 50 9.799 5.556 -2.609 1.00 1.64 N ATOM 0 H LYS A 50 3.327 4.989 -4.980 1.00 0.66 H new ATOM 0 HA LYS A 50 4.234 2.340 -4.013 1.00 0.61 H new ATOM 0 HB2 LYS A 50 4.730 5.109 -2.832 1.00 0.75 H new ATOM 0 HB3 LYS A 50 4.986 3.615 -1.953 1.00 0.75 H new ATOM 0 HG2 LYS A 50 6.759 2.927 -3.490 1.00 0.76 H new ATOM 0 HG3 LYS A 50 6.407 4.255 -4.578 1.00 0.76 H new ATOM 0 HD2 LYS A 50 7.145 5.904 -2.906 1.00 1.09 H new ATOM 0 HD3 LYS A 50 7.320 4.658 -1.686 1.00 1.09 H new ATOM 0 HE2 LYS A 50 9.132 3.584 -2.964 1.00 1.09 H new ATOM 0 HE3 LYS A 50 8.892 4.685 -4.306 1.00 1.09 H new ATOM 0 HZ1 LYS A 50 10.760 5.350 -2.950 1.00 1.64 H new ATOM 0 HZ2 LYS A 50 9.539 6.527 -2.874 1.00 1.64 H new ATOM 0 HZ3 LYS A 50 9.771 5.460 -1.574 1.00 1.64 H new ATOM 764 N PHE A 51 2.316 2.188 -2.368 1.00 0.58 N ATOM 765 CA PHE A 51 1.033 1.957 -1.679 1.00 0.60 C ATOM 766 C PHE A 51 1.008 2.538 -0.241 1.00 0.62 C ATOM 767 O PHE A 51 1.911 2.239 0.545 1.00 0.66 O ATOM 768 CB PHE A 51 0.686 0.459 -1.695 1.00 0.61 C ATOM 769 CG PHE A 51 0.480 -0.110 -3.090 1.00 0.57 C ATOM 770 CD1 PHE A 51 -0.754 0.038 -3.752 1.00 1.73 C ATOM 771 CD2 PHE A 51 1.533 -0.777 -3.741 1.00 1.47 C ATOM 772 CE1 PHE A 51 -0.923 -0.480 -5.051 1.00 1.72 C ATOM 773 CE2 PHE A 51 1.369 -1.285 -5.039 1.00 1.50 C ATOM 774 CZ PHE A 51 0.139 -1.135 -5.698 1.00 0.61 C ATOM 0 H PHE A 51 2.987 1.428 -2.253 1.00 0.58 H new ATOM 0 HA PHE A 51 0.264 2.499 -2.229 1.00 0.60 H new ATOM 0 HB2 PHE A 51 1.485 -0.094 -1.202 1.00 0.61 H new ATOM 0 HB3 PHE A 51 -0.220 0.300 -1.111 1.00 0.61 H new ATOM 0 HD1 PHE A 51 -1.571 0.549 -3.264 1.00 1.73 H new ATOM 0 HD2 PHE A 51 2.480 -0.900 -3.236 1.00 1.47 H new ATOM 0 HE1 PHE A 51 -1.874 -0.373 -5.552 1.00 1.72 H new ATOM 0 HE2 PHE A 51 2.188 -1.790 -5.530 1.00 1.50 H new ATOM 0 HZ PHE A 51 0.009 -1.521 -6.698 1.00 0.61 H new ATOM 784 N PRO A 52 -0.012 3.332 0.159 1.00 0.62 N ATOM 785 CA PRO A 52 -0.052 3.996 1.474 1.00 0.64 C ATOM 786 C PRO A 52 -0.639 3.156 2.630 1.00 0.59 C ATOM 787 O PRO A 52 -0.354 3.438 3.796 1.00 0.61 O ATOM 788 CB PRO A 52 -0.891 5.258 1.234 1.00 0.73 C ATOM 789 CG PRO A 52 -1.861 4.853 0.127 1.00 0.70 C ATOM 790 CD PRO A 52 -1.043 3.881 -0.717 1.00 0.64 C ATOM 0 HA PRO A 52 0.965 4.190 1.814 1.00 0.64 H new ATOM 0 HB2 PRO A 52 -1.421 5.563 2.137 1.00 0.73 H new ATOM 0 HB3 PRO A 52 -0.268 6.099 0.931 1.00 0.73 H new ATOM 0 HG2 PRO A 52 -2.757 4.381 0.530 1.00 0.70 H new ATOM 0 HG3 PRO A 52 -2.189 5.714 -0.455 1.00 0.70 H new ATOM 0 HD2 PRO A 52 -1.675 3.088 -1.116 1.00 0.64 H new ATOM 0 HD3 PRO A 52 -0.595 4.391 -1.570 1.00 0.64 H new ATOM 798 N VAL A 53 -1.452 2.140 2.320 1.00 0.56 N ATOM 799 CA VAL A 53 -2.180 1.242 3.248 1.00 0.55 C ATOM 800 C VAL A 53 -2.374 -0.133 2.574 1.00 0.54 C ATOM 801 O VAL A 53 -1.987 -0.293 1.416 1.00 0.58 O ATOM 802 CB VAL A 53 -3.533 1.830 3.707 1.00 0.63 C ATOM 803 CG1 VAL A 53 -3.354 3.066 4.600 1.00 0.67 C ATOM 804 CG2 VAL A 53 -4.445 2.200 2.540 1.00 0.76 C ATOM 0 H VAL A 53 -1.637 1.899 1.346 1.00 0.56 H new ATOM 0 HA VAL A 53 -1.579 1.129 4.150 1.00 0.55 H new ATOM 0 HB VAL A 53 -4.005 1.033 4.281 1.00 0.63 H new ATOM 0 HG11 VAL A 53 -4.332 3.444 4.898 1.00 0.67 H new ATOM 0 HG12 VAL A 53 -2.784 2.794 5.488 1.00 0.67 H new ATOM 0 HG13 VAL A 53 -2.819 3.839 4.049 1.00 0.67 H new ATOM 0 HG21 VAL A 53 -5.380 2.608 2.924 1.00 0.76 H new ATOM 0 HG22 VAL A 53 -3.953 2.946 1.916 1.00 0.76 H new ATOM 0 HG23 VAL A 53 -4.654 1.311 1.945 1.00 0.76 H new ATOM 814 N ASP A 54 -2.937 -1.131 3.268 1.00 0.59 N ATOM 815 CA ASP A 54 -3.229 -2.461 2.696 1.00 0.60 C ATOM 816 C ASP A 54 -4.705 -2.643 2.286 1.00 0.62 C ATOM 817 O ASP A 54 -5.619 -2.170 2.969 1.00 0.74 O ATOM 818 CB ASP A 54 -2.711 -3.578 3.613 1.00 0.67 C ATOM 819 CG ASP A 54 -3.570 -3.859 4.845 1.00 0.74 C ATOM 820 OD1 ASP A 54 -4.605 -4.550 4.743 1.00 1.68 O ATOM 821 OD2 ASP A 54 -3.155 -3.496 5.966 1.00 1.55 O ATOM 0 H ASP A 54 -3.206 -1.042 4.248 1.00 0.59 H new ATOM 0 HA ASP A 54 -2.679 -2.533 1.758 1.00 0.60 H new ATOM 0 HB2 ASP A 54 -2.629 -4.496 3.030 1.00 0.67 H new ATOM 0 HB3 ASP A 54 -1.705 -3.318 3.943 1.00 0.67 H new ATOM 826 N GLY A 55 -4.937 -3.317 1.154 1.00 0.58 N ATOM 827 CA GLY A 55 -6.255 -3.394 0.511 1.00 0.62 C ATOM 828 C GLY A 55 -6.296 -4.273 -0.747 1.00 0.54 C ATOM 829 O GLY A 55 -5.284 -4.859 -1.145 1.00 0.62 O ATOM 0 H GLY A 55 -4.210 -3.829 0.654 1.00 0.58 H new ATOM 0 HA2 GLY A 55 -6.976 -3.779 1.232 1.00 0.62 H new ATOM 0 HA3 GLY A 55 -6.576 -2.387 0.246 1.00 0.62 H new ATOM 833 N ARG A 56 -7.467 -4.338 -1.398 1.00 0.55 N ATOM 834 CA ARG A 56 -7.686 -5.054 -2.674 1.00 0.55 C ATOM 835 C ARG A 56 -7.759 -4.095 -3.872 1.00 0.50 C ATOM 836 O ARG A 56 -8.380 -3.036 -3.799 1.00 0.54 O ATOM 837 CB ARG A 56 -8.913 -5.987 -2.561 1.00 0.74 C ATOM 838 CG ARG A 56 -8.892 -7.117 -3.606 1.00 0.93 C ATOM 839 CD ARG A 56 -10.055 -8.109 -3.464 1.00 1.18 C ATOM 840 NE ARG A 56 -11.355 -7.500 -3.799 1.00 2.14 N ATOM 841 CZ ARG A 56 -12.316 -7.977 -4.568 1.00 3.41 C ATOM 842 NH1 ARG A 56 -12.260 -9.119 -5.193 1.00 4.14 N ATOM 843 NH2 ARG A 56 -13.382 -7.258 -4.713 1.00 4.47 N ATOM 0 H ARG A 56 -8.311 -3.885 -1.048 1.00 0.55 H new ATOM 0 HA ARG A 56 -6.819 -5.685 -2.869 1.00 0.55 H new ATOM 0 HB2 ARG A 56 -8.945 -6.421 -1.562 1.00 0.74 H new ATOM 0 HB3 ARG A 56 -9.824 -5.401 -2.683 1.00 0.74 H new ATOM 0 HG2 ARG A 56 -8.920 -6.678 -4.603 1.00 0.93 H new ATOM 0 HG3 ARG A 56 -7.950 -7.660 -3.523 1.00 0.93 H new ATOM 0 HD2 ARG A 56 -9.880 -8.966 -4.114 1.00 1.18 H new ATOM 0 HD3 ARG A 56 -10.086 -8.485 -2.442 1.00 1.18 H new ATOM 0 HE ARG A 56 -11.536 -6.588 -3.380 1.00 2.14 H new ATOM 0 HH11 ARG A 56 -11.433 -9.709 -5.104 1.00 4.14 H new ATOM 0 HH12 ARG A 56 -13.043 -9.423 -5.771 1.00 4.14 H new ATOM 0 HH21 ARG A 56 -13.457 -6.357 -4.241 1.00 4.47 H new ATOM 0 HH22 ARG A 56 -14.147 -7.592 -5.299 1.00 4.47 H new ATOM 857 N VAL A 57 -7.139 -4.480 -4.984 1.00 0.54 N ATOM 858 CA VAL A 57 -7.175 -3.820 -6.297 1.00 0.54 C ATOM 859 C VAL A 57 -8.431 -4.273 -7.037 1.00 0.55 C ATOM 860 O VAL A 57 -8.665 -5.477 -7.142 1.00 0.60 O ATOM 861 CB VAL A 57 -5.936 -4.219 -7.135 1.00 0.62 C ATOM 862 CG1 VAL A 57 -5.966 -3.568 -8.524 1.00 0.70 C ATOM 863 CG2 VAL A 57 -4.616 -3.840 -6.450 1.00 0.75 C ATOM 0 H VAL A 57 -6.557 -5.318 -4.998 1.00 0.54 H new ATOM 0 HA VAL A 57 -7.177 -2.739 -6.154 1.00 0.54 H new ATOM 0 HB VAL A 57 -5.983 -5.304 -7.231 1.00 0.62 H new ATOM 0 HG11 VAL A 57 -5.082 -3.869 -9.086 1.00 0.70 H new ATOM 0 HG12 VAL A 57 -6.861 -3.889 -9.057 1.00 0.70 H new ATOM 0 HG13 VAL A 57 -5.976 -2.483 -8.417 1.00 0.70 H new ATOM 0 HG21 VAL A 57 -3.779 -4.142 -7.080 1.00 0.75 H new ATOM 0 HG22 VAL A 57 -4.583 -2.762 -6.295 1.00 0.75 H new ATOM 0 HG23 VAL A 57 -4.547 -4.347 -5.487 1.00 0.75 H new ATOM 873 N ILE A 58 -9.212 -3.337 -7.583 1.00 0.55 N ATOM 874 CA ILE A 58 -10.415 -3.638 -8.392 1.00 0.60 C ATOM 875 C ILE A 58 -10.558 -2.695 -9.606 1.00 0.68 C ATOM 876 O ILE A 58 -11.657 -2.399 -10.089 1.00 0.77 O ATOM 877 CB ILE A 58 -11.679 -3.635 -7.492 1.00 0.60 C ATOM 878 CG1 ILE A 58 -11.696 -2.392 -6.577 1.00 0.60 C ATOM 879 CG2 ILE A 58 -11.768 -4.923 -6.655 1.00 0.63 C ATOM 880 CD1 ILE A 58 -13.062 -2.126 -5.945 1.00 0.70 C ATOM 0 H ILE A 58 -9.033 -2.338 -7.480 1.00 0.55 H new ATOM 0 HA ILE A 58 -10.299 -4.638 -8.809 1.00 0.60 H new ATOM 0 HB ILE A 58 -12.552 -3.595 -8.144 1.00 0.60 H new ATOM 0 HG12 ILE A 58 -10.957 -2.521 -5.787 1.00 0.60 H new ATOM 0 HG13 ILE A 58 -11.395 -1.519 -7.156 1.00 0.60 H new ATOM 0 HG21 ILE A 58 -12.664 -4.892 -6.034 1.00 0.63 H new ATOM 0 HG22 ILE A 58 -11.816 -5.786 -7.319 1.00 0.63 H new ATOM 0 HG23 ILE A 58 -10.888 -5.004 -6.018 1.00 0.63 H new ATOM 0 HD11 ILE A 58 -13.005 -1.239 -5.314 1.00 0.70 H new ATOM 0 HD12 ILE A 58 -13.801 -1.966 -6.730 1.00 0.70 H new ATOM 0 HD13 ILE A 58 -13.356 -2.983 -5.339 1.00 0.70 H new ATOM 892 N GLU A 59 -9.412 -2.296 -10.156 1.00 0.71 N ATOM 893 CA GLU A 59 -9.239 -1.605 -11.431 1.00 0.85 C ATOM 894 C GLU A 59 -7.749 -1.653 -11.801 1.00 0.84 C ATOM 895 O GLU A 59 -6.913 -1.275 -10.976 1.00 0.86 O ATOM 896 CB GLU A 59 -9.678 -0.135 -11.307 1.00 0.94 C ATOM 897 CG GLU A 59 -9.925 0.551 -12.654 1.00 1.38 C ATOM 898 CD GLU A 59 -11.189 0.030 -13.339 1.00 1.47 C ATOM 899 OE1 GLU A 59 -12.293 0.558 -13.055 1.00 2.81 O ATOM 900 OE2 GLU A 59 -11.085 -0.912 -14.162 1.00 2.00 O ATOM 0 H GLU A 59 -8.519 -2.459 -9.690 1.00 0.71 H new ATOM 0 HA GLU A 59 -9.847 -2.089 -12.196 1.00 0.85 H new ATOM 0 HB2 GLU A 59 -10.590 -0.087 -10.712 1.00 0.94 H new ATOM 0 HB3 GLU A 59 -8.913 0.418 -10.763 1.00 0.94 H new ATOM 0 HG2 GLU A 59 -10.012 1.627 -12.502 1.00 1.38 H new ATOM 0 HG3 GLU A 59 -9.067 0.389 -13.306 1.00 1.38 H new ATOM 907 N GLY A 60 -7.418 -2.073 -13.020 1.00 0.83 N ATOM 908 CA GLY A 60 -6.050 -2.108 -13.539 1.00 0.80 C ATOM 909 C GLY A 60 -5.254 -3.371 -13.186 1.00 0.82 C ATOM 910 O GLY A 60 -5.693 -4.248 -12.438 1.00 1.03 O ATOM 0 H GLY A 60 -8.109 -2.407 -13.692 1.00 0.83 H new ATOM 0 HA2 GLY A 60 -6.087 -2.011 -14.624 1.00 0.80 H new ATOM 0 HA3 GLY A 60 -5.511 -1.240 -13.160 1.00 0.80 H new ATOM 914 N HIS A 61 -4.039 -3.436 -13.730 1.00 0.71 N ATOM 915 CA HIS A 61 -3.107 -4.560 -13.596 1.00 0.80 C ATOM 916 C HIS A 61 -1.629 -4.126 -13.738 1.00 0.65 C ATOM 917 O HIS A 61 -1.212 -3.549 -14.745 1.00 0.94 O ATOM 918 CB HIS A 61 -3.507 -5.672 -14.583 1.00 1.08 C ATOM 919 CG HIS A 61 -3.608 -5.265 -16.031 1.00 1.18 C ATOM 920 ND1 HIS A 61 -4.743 -4.871 -16.708 1.00 2.03 N ATOM 921 CD2 HIS A 61 -2.596 -5.321 -16.946 1.00 1.65 C ATOM 922 CE1 HIS A 61 -4.426 -4.717 -18.003 1.00 2.07 C ATOM 923 NE2 HIS A 61 -3.115 -4.958 -18.197 1.00 1.84 N ATOM 0 H HIS A 61 -3.660 -2.679 -14.299 1.00 0.71 H new ATOM 0 HA HIS A 61 -3.181 -4.959 -12.584 1.00 0.80 H new ATOM 0 HB2 HIS A 61 -2.780 -6.480 -14.503 1.00 1.08 H new ATOM 0 HB3 HIS A 61 -4.470 -6.077 -14.272 1.00 1.08 H new ATOM 0 HD2 HIS A 61 -1.572 -5.597 -16.741 1.00 1.65 H new ATOM 0 HE1 HIS A 61 -5.123 -4.439 -18.780 1.00 2.07 H new ATOM 0 HE2 HIS A 61 -2.603 -4.890 -19.077 1.00 1.84 H new ATOM 931 N SER A 62 -0.836 -4.383 -12.692 1.00 0.57 N ATOM 932 CA SER A 62 0.586 -4.007 -12.584 1.00 0.52 C ATOM 933 C SER A 62 1.414 -5.090 -11.896 1.00 0.54 C ATOM 934 O SER A 62 0.875 -5.890 -11.130 1.00 0.77 O ATOM 935 CB SER A 62 0.743 -2.706 -11.791 1.00 0.59 C ATOM 936 OG SER A 62 1.956 -2.069 -12.138 1.00 1.46 O ATOM 0 H SER A 62 -1.175 -4.876 -11.866 1.00 0.57 H new ATOM 0 HA SER A 62 0.950 -3.876 -13.603 1.00 0.52 H new ATOM 0 HB2 SER A 62 -0.097 -2.042 -11.996 1.00 0.59 H new ATOM 0 HB3 SER A 62 0.728 -2.918 -10.722 1.00 0.59 H new ATOM 0 HG SER A 62 2.427 -2.606 -12.809 1.00 1.46 H new ATOM 942 N MET A 63 2.731 -5.085 -12.091 1.00 0.53 N ATOM 943 CA MET A 63 3.653 -5.926 -11.327 1.00 0.54 C ATOM 944 C MET A 63 4.143 -5.182 -10.078 1.00 0.55 C ATOM 945 O MET A 63 4.579 -4.032 -10.163 1.00 0.64 O ATOM 946 CB MET A 63 4.782 -6.403 -12.246 1.00 0.63 C ATOM 947 CG MET A 63 5.746 -7.340 -11.516 1.00 0.70 C ATOM 948 SD MET A 63 6.768 -8.352 -12.616 1.00 0.88 S ATOM 949 CE MET A 63 5.587 -9.678 -12.985 1.00 0.85 C ATOM 0 H MET A 63 3.191 -4.496 -12.785 1.00 0.53 H new ATOM 0 HA MET A 63 3.145 -6.818 -10.960 1.00 0.54 H new ATOM 0 HB2 MET A 63 4.357 -6.917 -13.108 1.00 0.63 H new ATOM 0 HB3 MET A 63 5.330 -5.541 -12.627 1.00 0.63 H new ATOM 0 HG2 MET A 63 6.398 -6.746 -10.876 1.00 0.70 H new ATOM 0 HG3 MET A 63 5.172 -7.998 -10.863 1.00 0.70 H new ATOM 0 HE1 MET A 63 6.050 -10.401 -13.657 1.00 0.85 H new ATOM 0 HE2 MET A 63 5.298 -10.176 -12.059 1.00 0.85 H new ATOM 0 HE3 MET A 63 4.702 -9.255 -13.461 1.00 0.85 H new ATOM 959 N VAL A 64 4.062 -5.833 -8.916 1.00 0.54 N ATOM 960 CA VAL A 64 4.358 -5.237 -7.604 1.00 0.54 C ATOM 961 C VAL A 64 5.593 -5.869 -6.959 1.00 0.55 C ATOM 962 O VAL A 64 5.796 -7.085 -7.021 1.00 0.61 O ATOM 963 CB VAL A 64 3.113 -5.277 -6.690 1.00 0.55 C ATOM 964 CG1 VAL A 64 3.375 -4.825 -5.246 1.00 0.61 C ATOM 965 CG2 VAL A 64 2.024 -4.357 -7.262 1.00 0.52 C ATOM 0 H VAL A 64 3.783 -6.812 -8.856 1.00 0.54 H new ATOM 0 HA VAL A 64 4.607 -4.187 -7.755 1.00 0.54 H new ATOM 0 HB VAL A 64 2.809 -6.323 -6.663 1.00 0.55 H new ATOM 0 HG11 VAL A 64 2.450 -4.883 -4.673 1.00 0.61 H new ATOM 0 HG12 VAL A 64 4.125 -5.473 -4.792 1.00 0.61 H new ATOM 0 HG13 VAL A 64 3.737 -3.797 -5.247 1.00 0.61 H new ATOM 0 HG21 VAL A 64 1.147 -4.387 -6.616 1.00 0.52 H new ATOM 0 HG22 VAL A 64 2.401 -3.336 -7.315 1.00 0.52 H new ATOM 0 HG23 VAL A 64 1.750 -4.695 -8.261 1.00 0.52 H new ATOM 975 N ASP A 65 6.401 -5.024 -6.314 1.00 0.55 N ATOM 976 CA ASP A 65 7.608 -5.402 -5.580 1.00 0.57 C ATOM 977 C ASP A 65 7.405 -5.274 -4.061 1.00 0.56 C ATOM 978 O ASP A 65 7.451 -4.184 -3.479 1.00 0.61 O ATOM 979 CB ASP A 65 8.791 -4.559 -6.077 1.00 0.63 C ATOM 980 CG ASP A 65 10.097 -4.935 -5.375 1.00 0.72 C ATOM 981 OD1 ASP A 65 10.294 -6.133 -5.060 1.00 1.76 O ATOM 982 OD2 ASP A 65 10.954 -4.042 -5.168 1.00 1.53 O ATOM 0 H ASP A 65 6.224 -4.020 -6.289 1.00 0.55 H new ATOM 0 HA ASP A 65 7.828 -6.452 -5.771 1.00 0.57 H new ATOM 0 HB2 ASP A 65 8.906 -4.694 -7.153 1.00 0.63 H new ATOM 0 HB3 ASP A 65 8.580 -3.503 -5.909 1.00 0.63 H new ATOM 987 N GLU A 66 7.198 -6.418 -3.411 1.00 0.64 N ATOM 988 CA GLU A 66 7.023 -6.583 -1.964 1.00 0.68 C ATOM 989 C GLU A 66 8.196 -7.334 -1.293 1.00 0.60 C ATOM 990 O GLU A 66 8.059 -7.838 -0.177 1.00 0.66 O ATOM 991 CB GLU A 66 5.623 -7.164 -1.662 1.00 1.00 C ATOM 992 CG GLU A 66 5.083 -8.280 -2.576 1.00 0.86 C ATOM 993 CD GLU A 66 6.036 -9.462 -2.733 1.00 2.44 C ATOM 994 OE1 GLU A 66 7.008 -9.328 -3.511 1.00 4.00 O ATOM 995 OE2 GLU A 66 5.794 -10.521 -2.107 1.00 3.39 O ATOM 0 H GLU A 66 7.144 -7.308 -3.907 1.00 0.64 H new ATOM 0 HA GLU A 66 7.059 -5.600 -1.495 1.00 0.68 H new ATOM 0 HB2 GLU A 66 5.635 -7.547 -0.641 1.00 1.00 H new ATOM 0 HB3 GLU A 66 4.909 -6.341 -1.685 1.00 1.00 H new ATOM 0 HG2 GLU A 66 4.136 -8.640 -2.174 1.00 0.86 H new ATOM 0 HG3 GLU A 66 4.873 -7.861 -3.560 1.00 0.86 H new ATOM 1002 N SER A 67 9.367 -7.382 -1.950 1.00 0.62 N ATOM 1003 CA SER A 67 10.542 -8.166 -1.527 1.00 0.73 C ATOM 1004 C SER A 67 11.030 -7.897 -0.102 1.00 0.70 C ATOM 1005 O SER A 67 11.585 -8.800 0.522 1.00 0.83 O ATOM 1006 CB SER A 67 11.727 -7.934 -2.475 1.00 0.93 C ATOM 1007 OG SER A 67 12.145 -6.578 -2.434 1.00 1.30 O ATOM 0 H SER A 67 9.528 -6.863 -2.813 1.00 0.62 H new ATOM 0 HA SER A 67 10.189 -9.197 -1.559 1.00 0.73 H new ATOM 0 HB2 SER A 67 12.556 -8.584 -2.195 1.00 0.93 H new ATOM 0 HB3 SER A 67 11.443 -8.201 -3.493 1.00 0.93 H new ATOM 0 HG SER A 67 11.731 -6.086 -3.173 1.00 1.30 H new ATOM 1013 N LEU A 68 10.842 -6.694 0.449 1.00 0.72 N ATOM 1014 CA LEU A 68 11.220 -6.372 1.833 1.00 0.80 C ATOM 1015 C LEU A 68 10.135 -6.801 2.833 1.00 0.84 C ATOM 1016 O LEU A 68 10.441 -7.182 3.963 1.00 0.99 O ATOM 1017 CB LEU A 68 11.524 -4.855 1.865 1.00 0.87 C ATOM 1018 CG LEU A 68 12.048 -4.189 3.157 1.00 0.91 C ATOM 1019 CD1 LEU A 68 11.010 -4.024 4.271 1.00 1.02 C ATOM 1020 CD2 LEU A 68 13.279 -4.889 3.731 1.00 0.82 C ATOM 0 H LEU A 68 10.422 -5.911 -0.052 1.00 0.72 H new ATOM 0 HA LEU A 68 12.104 -6.928 2.144 1.00 0.80 H new ATOM 0 HB2 LEU A 68 12.255 -4.656 1.081 1.00 0.87 H new ATOM 0 HB3 LEU A 68 10.607 -4.337 1.585 1.00 0.87 H new ATOM 0 HG LEU A 68 12.318 -3.190 2.816 1.00 0.91 H new ATOM 0 HD11 LEU A 68 11.475 -3.548 5.134 1.00 1.02 H new ATOM 0 HD12 LEU A 68 10.188 -3.404 3.913 1.00 1.02 H new ATOM 0 HD13 LEU A 68 10.627 -5.003 4.560 1.00 1.02 H new ATOM 0 HD21 LEU A 68 13.600 -4.375 4.637 1.00 0.82 H new ATOM 0 HD22 LEU A 68 13.032 -5.924 3.969 1.00 0.82 H new ATOM 0 HD23 LEU A 68 14.085 -4.868 2.997 1.00 0.82 H new ATOM 1032 N ILE A 69 8.872 -6.788 2.407 1.00 0.79 N ATOM 1033 CA ILE A 69 7.694 -7.111 3.220 1.00 0.84 C ATOM 1034 C ILE A 69 7.631 -8.626 3.485 1.00 0.98 C ATOM 1035 O ILE A 69 7.562 -9.069 4.637 1.00 1.06 O ATOM 1036 CB ILE A 69 6.404 -6.621 2.504 1.00 0.87 C ATOM 1037 CG1 ILE A 69 6.506 -5.242 1.802 1.00 0.97 C ATOM 1038 CG2 ILE A 69 5.225 -6.658 3.491 1.00 0.88 C ATOM 1039 CD1 ILE A 69 6.582 -4.028 2.729 1.00 0.99 C ATOM 0 H ILE A 69 8.629 -6.542 1.447 1.00 0.79 H new ATOM 0 HA ILE A 69 7.771 -6.600 4.180 1.00 0.84 H new ATOM 0 HB ILE A 69 6.241 -7.317 1.682 1.00 0.87 H new ATOM 0 HG12 ILE A 69 7.390 -5.244 1.164 1.00 0.97 H new ATOM 0 HG13 ILE A 69 5.642 -5.123 1.149 1.00 0.97 H new ATOM 0 HG21 ILE A 69 4.320 -6.315 2.990 1.00 0.88 H new ATOM 0 HG22 ILE A 69 5.079 -7.678 3.845 1.00 0.88 H new ATOM 0 HG23 ILE A 69 5.440 -6.007 4.339 1.00 0.88 H new ATOM 0 HD11 ILE A 69 6.651 -3.118 2.132 1.00 0.99 H new ATOM 0 HD12 ILE A 69 5.687 -3.988 3.350 1.00 0.99 H new ATOM 0 HD13 ILE A 69 7.463 -4.111 3.366 1.00 0.99 H new ATOM 1051 N THR A 70 7.684 -9.411 2.404 1.00 1.08 N ATOM 1052 CA THR A 70 7.472 -10.871 2.373 1.00 1.20 C ATOM 1053 C THR A 70 8.767 -11.678 2.260 1.00 1.29 C ATOM 1054 O THR A 70 8.792 -12.862 2.606 1.00 1.48 O ATOM 1055 CB THR A 70 6.610 -11.233 1.152 1.00 1.28 C ATOM 1056 OG1 THR A 70 7.312 -10.814 0.002 1.00 1.66 O ATOM 1057 CG2 THR A 70 5.236 -10.563 1.164 1.00 1.31 C ATOM 0 H THR A 70 7.885 -9.032 1.479 1.00 1.08 H new ATOM 0 HA THR A 70 6.992 -11.124 3.319 1.00 1.20 H new ATOM 0 HB THR A 70 6.434 -12.309 1.167 1.00 1.28 H new ATOM 0 HG1 THR A 70 6.726 -10.878 -0.781 1.00 1.66 H new ATOM 0 HG21 THR A 70 4.679 -10.860 0.276 1.00 1.31 H new ATOM 0 HG22 THR A 70 4.689 -10.871 2.055 1.00 1.31 H new ATOM 0 HG23 THR A 70 5.359 -9.480 1.170 1.00 1.31 H new ATOM 1065 N GLY A 71 9.844 -11.066 1.762 1.00 1.18 N ATOM 1066 CA GLY A 71 11.100 -11.726 1.400 1.00 1.19 C ATOM 1067 C GLY A 71 11.105 -12.352 -0.006 1.00 1.07 C ATOM 1068 O GLY A 71 12.138 -12.884 -0.423 1.00 1.28 O ATOM 0 H GLY A 71 9.866 -10.060 1.594 1.00 1.18 H new ATOM 0 HA2 GLY A 71 11.910 -11.000 1.464 1.00 1.19 H new ATOM 0 HA3 GLY A 71 11.312 -12.505 2.132 1.00 1.19 H new ATOM 1072 N GLU A 72 9.993 -12.297 -0.759 1.00 0.94 N ATOM 1073 CA GLU A 72 9.912 -12.841 -2.125 1.00 0.89 C ATOM 1074 C GLU A 72 10.852 -12.063 -3.067 1.00 1.00 C ATOM 1075 O GLU A 72 10.575 -10.912 -3.410 1.00 2.45 O ATOM 1076 CB GLU A 72 8.476 -12.791 -2.690 1.00 1.06 C ATOM 1077 CG GLU A 72 7.380 -13.566 -1.941 1.00 1.23 C ATOM 1078 CD GLU A 72 7.658 -15.068 -1.822 1.00 1.63 C ATOM 1079 OE1 GLU A 72 8.326 -15.476 -0.848 1.00 2.86 O ATOM 1080 OE2 GLU A 72 7.203 -15.867 -2.681 1.00 1.77 O ATOM 0 H GLU A 72 9.123 -11.873 -0.436 1.00 0.94 H new ATOM 0 HA GLU A 72 10.218 -13.886 -2.068 1.00 0.89 H new ATOM 0 HB2 GLU A 72 8.172 -11.745 -2.739 1.00 1.06 H new ATOM 0 HB3 GLU A 72 8.507 -13.162 -3.715 1.00 1.06 H new ATOM 0 HG2 GLU A 72 7.269 -13.146 -0.941 1.00 1.23 H new ATOM 0 HG3 GLU A 72 6.430 -13.421 -2.455 1.00 1.23 H new ATOM 1087 N ALA A 73 11.941 -12.676 -3.535 1.00 1.31 N ATOM 1088 CA ALA A 73 12.925 -12.027 -4.414 1.00 1.20 C ATOM 1089 C ALA A 73 12.518 -12.083 -5.905 1.00 1.09 C ATOM 1090 O ALA A 73 13.187 -11.533 -6.786 1.00 1.17 O ATOM 1091 CB ALA A 73 14.303 -12.619 -4.110 1.00 1.47 C ATOM 0 H ALA A 73 12.170 -13.645 -3.315 1.00 1.31 H new ATOM 0 HA ALA A 73 12.964 -10.958 -4.207 1.00 1.20 H new ATOM 0 HB1 ALA A 73 15.050 -12.151 -4.752 1.00 1.47 H new ATOM 0 HB2 ALA A 73 14.556 -12.435 -3.066 1.00 1.47 H new ATOM 0 HB3 ALA A 73 14.287 -13.693 -4.296 1.00 1.47 H new ATOM 1097 N MET A 74 11.399 -12.758 -6.169 1.00 1.40 N ATOM 1098 CA MET A 74 10.635 -12.778 -7.410 1.00 1.46 C ATOM 1099 C MET A 74 9.486 -11.752 -7.308 1.00 1.18 C ATOM 1100 O MET A 74 8.858 -11.669 -6.245 1.00 1.08 O ATOM 1101 CB MET A 74 10.060 -14.189 -7.582 1.00 1.77 C ATOM 1102 CG MET A 74 11.045 -15.191 -8.186 1.00 2.31 C ATOM 1103 SD MET A 74 11.441 -14.865 -9.923 1.00 2.51 S ATOM 1104 CE MET A 74 12.205 -16.449 -10.367 1.00 3.63 C ATOM 0 H MET A 74 10.971 -13.353 -5.460 1.00 1.40 H new ATOM 0 HA MET A 74 11.265 -12.522 -8.262 1.00 1.46 H new ATOM 0 HB2 MET A 74 9.732 -14.558 -6.610 1.00 1.77 H new ATOM 0 HB3 MET A 74 9.176 -14.135 -8.218 1.00 1.77 H new ATOM 0 HG2 MET A 74 11.966 -15.178 -7.604 1.00 2.31 H new ATOM 0 HG3 MET A 74 10.628 -16.194 -8.100 1.00 2.31 H new ATOM 0 HE1 MET A 74 12.512 -16.425 -11.413 1.00 3.63 H new ATOM 0 HE2 MET A 74 13.078 -16.621 -9.737 1.00 3.63 H new ATOM 0 HE3 MET A 74 11.486 -17.254 -10.219 1.00 3.63 H new ATOM 1114 N PRO A 75 9.174 -10.968 -8.357 1.00 1.24 N ATOM 1115 CA PRO A 75 8.075 -10.001 -8.335 1.00 1.11 C ATOM 1116 C PRO A 75 6.709 -10.663 -8.578 1.00 0.95 C ATOM 1117 O PRO A 75 6.623 -11.781 -9.104 1.00 1.05 O ATOM 1118 CB PRO A 75 8.438 -8.977 -9.403 1.00 1.24 C ATOM 1119 CG PRO A 75 9.125 -9.843 -10.456 1.00 1.93 C ATOM 1120 CD PRO A 75 9.895 -10.865 -9.617 1.00 1.65 C ATOM 0 HA PRO A 75 7.963 -9.532 -7.357 1.00 1.11 H new ATOM 0 HB2 PRO A 75 7.557 -8.473 -9.801 1.00 1.24 H new ATOM 0 HB3 PRO A 75 9.101 -8.203 -9.017 1.00 1.24 H new ATOM 0 HG2 PRO A 75 8.403 -10.325 -11.115 1.00 1.93 H new ATOM 0 HG3 PRO A 75 9.792 -9.256 -11.088 1.00 1.93 H new ATOM 0 HD2 PRO A 75 9.940 -11.830 -10.121 1.00 1.65 H new ATOM 0 HD3 PRO A 75 10.923 -10.542 -9.454 1.00 1.65 H new ATOM 1128 N VAL A 76 5.633 -9.965 -8.198 1.00 0.77 N ATOM 1129 CA VAL A 76 4.276 -10.536 -8.131 1.00 0.70 C ATOM 1130 C VAL A 76 3.289 -9.730 -8.980 1.00 0.62 C ATOM 1131 O VAL A 76 3.081 -8.537 -8.758 1.00 0.65 O ATOM 1132 CB VAL A 76 3.811 -10.652 -6.660 1.00 0.74 C ATOM 1133 CG1 VAL A 76 2.574 -11.549 -6.537 1.00 0.82 C ATOM 1134 CG2 VAL A 76 4.887 -11.265 -5.748 1.00 0.75 C ATOM 0 H VAL A 76 5.675 -8.983 -7.926 1.00 0.77 H new ATOM 0 HA VAL A 76 4.305 -11.541 -8.551 1.00 0.70 H new ATOM 0 HB VAL A 76 3.594 -9.630 -6.348 1.00 0.74 H new ATOM 0 HG11 VAL A 76 2.272 -11.611 -5.492 1.00 0.82 H new ATOM 0 HG12 VAL A 76 1.759 -11.128 -7.126 1.00 0.82 H new ATOM 0 HG13 VAL A 76 2.810 -12.547 -6.906 1.00 0.82 H new ATOM 0 HG21 VAL A 76 4.509 -11.323 -4.727 1.00 0.75 H new ATOM 0 HG22 VAL A 76 5.136 -12.266 -6.101 1.00 0.75 H new ATOM 0 HG23 VAL A 76 5.780 -10.641 -5.769 1.00 0.75 H new ATOM 1144 N ALA A 77 2.679 -10.382 -9.969 1.00 0.59 N ATOM 1145 CA ALA A 77 1.762 -9.754 -10.920 1.00 0.59 C ATOM 1146 C ALA A 77 0.342 -9.607 -10.344 1.00 0.62 C ATOM 1147 O ALA A 77 -0.230 -10.586 -9.850 1.00 0.87 O ATOM 1148 CB ALA A 77 1.776 -10.572 -12.212 1.00 0.77 C ATOM 0 H ALA A 77 2.811 -11.380 -10.135 1.00 0.59 H new ATOM 0 HA ALA A 77 2.097 -8.738 -11.130 1.00 0.59 H new ATOM 0 HB1 ALA A 77 1.098 -10.120 -12.936 1.00 0.77 H new ATOM 0 HB2 ALA A 77 2.786 -10.588 -12.622 1.00 0.77 H new ATOM 0 HB3 ALA A 77 1.454 -11.592 -12.001 1.00 0.77 H new ATOM 1154 N LYS A 78 -0.248 -8.409 -10.448 1.00 0.52 N ATOM 1155 CA LYS A 78 -1.580 -8.050 -9.926 1.00 0.54 C ATOM 1156 C LYS A 78 -2.603 -7.863 -11.052 1.00 0.61 C ATOM 1157 O LYS A 78 -2.241 -7.572 -12.193 1.00 0.75 O ATOM 1158 CB LYS A 78 -1.492 -6.780 -9.048 1.00 0.53 C ATOM 1159 CG LYS A 78 -0.443 -6.835 -7.921 1.00 0.50 C ATOM 1160 CD LYS A 78 -0.717 -7.936 -6.889 1.00 0.55 C ATOM 1161 CE LYS A 78 0.430 -8.103 -5.889 1.00 0.62 C ATOM 1162 NZ LYS A 78 0.034 -9.053 -4.825 1.00 0.76 N ATOM 0 H LYS A 78 0.207 -7.627 -10.918 1.00 0.52 H new ATOM 0 HA LYS A 78 -1.927 -8.879 -9.309 1.00 0.54 H new ATOM 0 HB2 LYS A 78 -1.268 -5.928 -9.690 1.00 0.53 H new ATOM 0 HB3 LYS A 78 -2.470 -6.596 -8.604 1.00 0.53 H new ATOM 0 HG2 LYS A 78 0.542 -6.995 -8.359 1.00 0.50 H new ATOM 0 HG3 LYS A 78 -0.414 -5.871 -7.414 1.00 0.50 H new ATOM 0 HD2 LYS A 78 -1.634 -7.702 -6.349 1.00 0.55 H new ATOM 0 HD3 LYS A 78 -0.884 -8.881 -7.406 1.00 0.55 H new ATOM 0 HE2 LYS A 78 1.321 -8.467 -6.401 1.00 0.62 H new ATOM 0 HE3 LYS A 78 0.686 -7.138 -5.451 1.00 0.62 H new ATOM 0 HZ1 LYS A 78 0.868 -9.307 -4.258 1.00 0.76 H new ATOM 0 HZ2 LYS A 78 -0.680 -8.610 -4.212 1.00 0.76 H new ATOM 0 HZ3 LYS A 78 -0.365 -9.911 -5.257 1.00 0.76 H new ATOM 1176 N LYS A 79 -3.881 -7.999 -10.693 1.00 0.57 N ATOM 1177 CA LYS A 79 -5.069 -7.987 -11.570 1.00 0.63 C ATOM 1178 C LYS A 79 -6.290 -7.365 -10.864 1.00 0.60 C ATOM 1179 O LYS A 79 -6.242 -7.215 -9.640 1.00 0.58 O ATOM 1180 CB LYS A 79 -5.371 -9.448 -11.986 1.00 0.78 C ATOM 1181 CG LYS A 79 -5.619 -10.406 -10.804 1.00 2.14 C ATOM 1182 CD LYS A 79 -6.337 -11.698 -11.200 1.00 2.52 C ATOM 1183 CE LYS A 79 -5.599 -12.540 -12.238 1.00 2.29 C ATOM 1184 NZ LYS A 79 -4.366 -13.156 -11.697 1.00 3.50 N ATOM 0 H LYS A 79 -4.139 -8.130 -9.715 1.00 0.57 H new ATOM 0 HA LYS A 79 -4.865 -7.373 -12.447 1.00 0.63 H new ATOM 0 HB2 LYS A 79 -6.247 -9.455 -12.634 1.00 0.78 H new ATOM 0 HB3 LYS A 79 -4.535 -9.826 -12.575 1.00 0.78 H new ATOM 0 HG2 LYS A 79 -4.663 -10.658 -10.345 1.00 2.14 H new ATOM 0 HG3 LYS A 79 -6.210 -9.890 -10.047 1.00 2.14 H new ATOM 0 HD2 LYS A 79 -6.492 -12.301 -10.305 1.00 2.52 H new ATOM 0 HD3 LYS A 79 -7.323 -11.446 -11.590 1.00 2.52 H new ATOM 0 HE2 LYS A 79 -6.263 -13.324 -12.603 1.00 2.29 H new ATOM 0 HE3 LYS A 79 -5.343 -11.914 -13.093 1.00 2.29 H new ATOM 0 HZ1 LYS A 79 -3.903 -13.716 -12.441 1.00 3.50 H new ATOM 0 HZ2 LYS A 79 -3.719 -12.410 -11.372 1.00 3.50 H new ATOM 0 HZ3 LYS A 79 -4.609 -13.775 -10.898 1.00 3.50 H new ATOM 1198 N PRO A 80 -7.403 -7.060 -11.559 1.00 0.69 N ATOM 1199 CA PRO A 80 -8.666 -6.747 -10.886 1.00 0.78 C ATOM 1200 C PRO A 80 -9.093 -7.948 -10.015 1.00 0.77 C ATOM 1201 O PRO A 80 -9.213 -9.082 -10.494 1.00 0.88 O ATOM 1202 CB PRO A 80 -9.656 -6.416 -12.009 1.00 0.93 C ATOM 1203 CG PRO A 80 -9.070 -7.100 -13.244 1.00 0.92 C ATOM 1204 CD PRO A 80 -7.569 -6.986 -13.007 1.00 0.81 C ATOM 0 HA PRO A 80 -8.600 -5.901 -10.202 1.00 0.78 H new ATOM 0 HB2 PRO A 80 -10.654 -6.791 -11.783 1.00 0.93 H new ATOM 0 HB3 PRO A 80 -9.746 -5.340 -12.156 1.00 0.93 H new ATOM 0 HG2 PRO A 80 -9.390 -8.139 -13.322 1.00 0.92 H new ATOM 0 HG3 PRO A 80 -9.374 -6.603 -14.165 1.00 0.92 H new ATOM 0 HD2 PRO A 80 -7.029 -7.790 -13.507 1.00 0.81 H new ATOM 0 HD3 PRO A 80 -7.178 -6.048 -13.401 1.00 0.81 H new ATOM 1212 N GLY A 81 -9.289 -7.716 -8.715 1.00 0.77 N ATOM 1213 CA GLY A 81 -9.456 -8.756 -7.693 1.00 0.79 C ATOM 1214 C GLY A 81 -8.114 -9.353 -7.239 1.00 0.79 C ATOM 1215 O GLY A 81 -7.891 -10.560 -7.372 1.00 1.21 O ATOM 0 H GLY A 81 -9.338 -6.772 -8.331 1.00 0.77 H new ATOM 0 HA2 GLY A 81 -9.973 -8.335 -6.831 1.00 0.79 H new ATOM 0 HA3 GLY A 81 -10.089 -9.551 -8.087 1.00 0.79 H new ATOM 1219 N SER A 82 -7.202 -8.503 -6.749 1.00 0.57 N ATOM 1220 CA SER A 82 -5.858 -8.872 -6.248 1.00 0.53 C ATOM 1221 C SER A 82 -5.454 -8.065 -5.005 1.00 0.57 C ATOM 1222 O SER A 82 -5.907 -6.934 -4.866 1.00 0.75 O ATOM 1223 CB SER A 82 -4.856 -8.630 -7.373 1.00 0.55 C ATOM 1224 OG SER A 82 -3.614 -9.238 -7.120 1.00 1.28 O ATOM 0 H SER A 82 -7.380 -7.501 -6.685 1.00 0.57 H new ATOM 0 HA SER A 82 -5.872 -9.920 -5.949 1.00 0.53 H new ATOM 0 HB2 SER A 82 -5.263 -9.015 -8.308 1.00 0.55 H new ATOM 0 HB3 SER A 82 -4.713 -7.558 -7.505 1.00 0.55 H new ATOM 0 HG SER A 82 -3.341 -9.762 -7.902 1.00 1.28 H new ATOM 1230 N THR A 83 -4.634 -8.588 -4.082 1.00 0.52 N ATOM 1231 CA THR A 83 -4.300 -7.901 -2.809 1.00 0.53 C ATOM 1232 C THR A 83 -2.931 -7.217 -2.825 1.00 0.51 C ATOM 1233 O THR A 83 -2.004 -7.671 -3.497 1.00 0.54 O ATOM 1234 CB THR A 83 -4.383 -8.830 -1.585 1.00 0.67 C ATOM 1235 OG1 THR A 83 -3.446 -9.881 -1.653 1.00 0.85 O ATOM 1236 CG2 THR A 83 -5.766 -9.451 -1.432 1.00 0.84 C ATOM 0 H THR A 83 -4.181 -9.496 -4.189 1.00 0.52 H new ATOM 0 HA THR A 83 -5.066 -7.130 -2.719 1.00 0.53 H new ATOM 0 HB THR A 83 -4.165 -8.195 -0.726 1.00 0.67 H new ATOM 0 HG1 THR A 83 -3.530 -10.446 -0.857 1.00 0.85 H new ATOM 0 HG21 THR A 83 -5.779 -10.099 -0.556 1.00 0.84 H new ATOM 0 HG22 THR A 83 -6.508 -8.662 -1.311 1.00 0.84 H new ATOM 0 HG23 THR A 83 -6.002 -10.037 -2.320 1.00 0.84 H new ATOM 1244 N VAL A 84 -2.795 -6.135 -2.049 1.00 0.48 N ATOM 1245 CA VAL A 84 -1.539 -5.395 -1.825 1.00 0.45 C ATOM 1246 C VAL A 84 -1.355 -5.016 -0.347 1.00 0.46 C ATOM 1247 O VAL A 84 -2.306 -5.018 0.440 1.00 0.51 O ATOM 1248 CB VAL A 84 -1.437 -4.142 -2.727 1.00 0.48 C ATOM 1249 CG1 VAL A 84 -1.295 -4.522 -4.207 1.00 0.52 C ATOM 1250 CG2 VAL A 84 -2.626 -3.183 -2.573 1.00 0.53 C ATOM 0 H VAL A 84 -3.582 -5.733 -1.540 1.00 0.48 H new ATOM 0 HA VAL A 84 -0.729 -6.070 -2.101 1.00 0.45 H new ATOM 0 HB VAL A 84 -0.540 -3.623 -2.390 1.00 0.48 H new ATOM 0 HG11 VAL A 84 -1.226 -3.617 -4.810 1.00 0.52 H new ATOM 0 HG12 VAL A 84 -0.393 -5.119 -4.344 1.00 0.52 H new ATOM 0 HG13 VAL A 84 -2.164 -5.101 -4.519 1.00 0.52 H new ATOM 0 HG21 VAL A 84 -2.491 -2.326 -3.233 1.00 0.53 H new ATOM 0 HG22 VAL A 84 -3.548 -3.702 -2.836 1.00 0.53 H new ATOM 0 HG23 VAL A 84 -2.685 -2.839 -1.540 1.00 0.53 H new ATOM 1260 N ILE A 85 -0.117 -4.675 0.021 1.00 0.50 N ATOM 1261 CA ILE A 85 0.310 -4.204 1.351 1.00 0.55 C ATOM 1262 C ILE A 85 1.076 -2.881 1.255 1.00 0.59 C ATOM 1263 O ILE A 85 1.758 -2.601 0.265 1.00 0.87 O ATOM 1264 CB ILE A 85 1.143 -5.250 2.147 1.00 0.60 C ATOM 1265 CG1 ILE A 85 1.818 -6.359 1.313 1.00 0.93 C ATOM 1266 CG2 ILE A 85 0.269 -5.925 3.209 1.00 0.91 C ATOM 1267 CD1 ILE A 85 2.830 -5.821 0.301 1.00 0.62 C ATOM 0 H ILE A 85 0.662 -4.721 -0.635 1.00 0.50 H new ATOM 0 HA ILE A 85 -0.612 -4.046 1.911 1.00 0.55 H new ATOM 0 HB ILE A 85 1.951 -4.661 2.581 1.00 0.60 H new ATOM 0 HG12 ILE A 85 2.321 -7.055 1.985 1.00 0.93 H new ATOM 0 HG13 ILE A 85 1.051 -6.925 0.784 1.00 0.93 H new ATOM 0 HG21 ILE A 85 0.863 -6.655 3.759 1.00 0.91 H new ATOM 0 HG22 ILE A 85 -0.111 -5.172 3.899 1.00 0.91 H new ATOM 0 HG23 ILE A 85 -0.568 -6.429 2.725 1.00 0.91 H new ATOM 0 HD11 ILE A 85 3.268 -6.652 -0.252 1.00 0.62 H new ATOM 0 HD12 ILE A 85 2.327 -5.148 -0.393 1.00 0.62 H new ATOM 0 HD13 ILE A 85 3.617 -5.280 0.826 1.00 0.62 H new ATOM 1279 N ALA A 86 0.968 -2.077 2.313 1.00 0.54 N ATOM 1280 CA ALA A 86 1.571 -0.752 2.396 1.00 0.59 C ATOM 1281 C ALA A 86 3.100 -0.783 2.222 1.00 0.56 C ATOM 1282 O ALA A 86 3.783 -1.675 2.722 1.00 0.61 O ATOM 1283 CB ALA A 86 1.177 -0.125 3.738 1.00 0.66 C ATOM 0 H ALA A 86 0.448 -2.336 3.151 1.00 0.54 H new ATOM 0 HA ALA A 86 1.194 -0.145 1.572 1.00 0.59 H new ATOM 0 HB1 ALA A 86 1.619 0.868 3.819 1.00 0.66 H new ATOM 0 HB2 ALA A 86 0.092 -0.045 3.798 1.00 0.66 H new ATOM 0 HB3 ALA A 86 1.540 -0.751 4.553 1.00 0.66 H new ATOM 1289 N GLY A 87 3.633 0.227 1.535 1.00 0.58 N ATOM 1290 CA GLY A 87 5.064 0.433 1.316 1.00 0.64 C ATOM 1291 C GLY A 87 5.697 -0.361 0.166 1.00 0.63 C ATOM 1292 O GLY A 87 6.854 -0.106 -0.166 1.00 0.79 O ATOM 0 H GLY A 87 3.060 0.950 1.100 1.00 0.58 H new ATOM 0 HA2 GLY A 87 5.233 1.494 1.133 1.00 0.64 H new ATOM 0 HA3 GLY A 87 5.591 0.181 2.236 1.00 0.64 H new ATOM 1296 N SER A 88 4.950 -1.264 -0.479 1.00 0.54 N ATOM 1297 CA SER A 88 5.381 -1.934 -1.716 1.00 0.53 C ATOM 1298 C SER A 88 5.318 -0.990 -2.933 1.00 0.46 C ATOM 1299 O SER A 88 4.675 0.067 -2.875 1.00 0.46 O ATOM 1300 CB SER A 88 4.585 -3.230 -1.928 1.00 0.56 C ATOM 1301 OG SER A 88 3.191 -3.003 -2.027 1.00 1.39 O ATOM 0 H SER A 88 4.026 -1.553 -0.158 1.00 0.54 H new ATOM 0 HA SER A 88 6.430 -2.210 -1.609 1.00 0.53 H new ATOM 0 HB2 SER A 88 4.935 -3.722 -2.836 1.00 0.56 H new ATOM 0 HB3 SER A 88 4.780 -3.912 -1.100 1.00 0.56 H new ATOM 0 HG SER A 88 2.807 -2.926 -1.128 1.00 1.39 H new ATOM 1307 N ILE A 89 6.013 -1.347 -4.022 1.00 0.46 N ATOM 1308 CA ILE A 89 6.188 -0.498 -5.220 1.00 0.45 C ATOM 1309 C ILE A 89 5.426 -1.063 -6.431 1.00 0.46 C ATOM 1310 O ILE A 89 5.376 -2.278 -6.613 1.00 0.64 O ATOM 1311 CB ILE A 89 7.684 -0.291 -5.587 1.00 0.53 C ATOM 1312 CG1 ILE A 89 8.706 -0.414 -4.432 1.00 0.60 C ATOM 1313 CG2 ILE A 89 7.846 1.066 -6.300 1.00 0.58 C ATOM 1314 CD1 ILE A 89 8.605 0.642 -3.325 1.00 0.64 C ATOM 0 H ILE A 89 6.480 -2.250 -4.101 1.00 0.46 H new ATOM 0 HA ILE A 89 5.768 0.475 -4.963 1.00 0.45 H new ATOM 0 HB ILE A 89 7.931 -1.129 -6.239 1.00 0.53 H new ATOM 0 HG12 ILE A 89 8.593 -1.399 -3.978 1.00 0.60 H new ATOM 0 HG13 ILE A 89 9.709 -0.371 -4.856 1.00 0.60 H new ATOM 0 HG21 ILE A 89 8.894 1.217 -6.560 1.00 0.58 H new ATOM 0 HG22 ILE A 89 7.242 1.075 -7.207 1.00 0.58 H new ATOM 0 HG23 ILE A 89 7.517 1.867 -5.637 1.00 0.58 H new ATOM 0 HD11 ILE A 89 9.370 0.454 -2.572 1.00 0.64 H new ATOM 0 HD12 ILE A 89 8.753 1.633 -3.753 1.00 0.64 H new ATOM 0 HD13 ILE A 89 7.620 0.590 -2.862 1.00 0.64 H new ATOM 1326 N ASN A 90 4.864 -0.195 -7.276 1.00 0.43 N ATOM 1327 CA ASN A 90 4.072 -0.525 -8.467 1.00 0.46 C ATOM 1328 C ASN A 90 4.855 -0.286 -9.778 1.00 0.59 C ATOM 1329 O ASN A 90 5.557 0.721 -9.892 1.00 0.69 O ATOM 1330 CB ASN A 90 2.807 0.352 -8.401 1.00 0.49 C ATOM 1331 CG ASN A 90 1.733 -0.018 -9.389 1.00 0.73 C ATOM 1332 OD1 ASN A 90 0.787 -0.714 -9.071 1.00 1.91 O ATOM 1333 ND2 ASN A 90 1.820 0.437 -10.612 1.00 0.86 N ATOM 0 H ASN A 90 4.953 0.812 -7.142 1.00 0.43 H new ATOM 0 HA ASN A 90 3.820 -1.586 -8.474 1.00 0.46 H new ATOM 0 HB2 ASN A 90 2.392 0.292 -7.395 1.00 0.49 H new ATOM 0 HB3 ASN A 90 3.092 1.391 -8.567 1.00 0.49 H new ATOM 0 HD21 ASN A 90 1.097 0.208 -11.294 1.00 0.86 H new ATOM 0 HD22 ASN A 90 2.611 1.021 -10.884 1.00 0.86 H new ATOM 1340 N GLN A 91 4.685 -1.144 -10.794 1.00 0.72 N ATOM 1341 CA GLN A 91 5.246 -0.964 -12.146 1.00 0.92 C ATOM 1342 C GLN A 91 4.333 -0.096 -13.052 1.00 1.44 C ATOM 1343 O GLN A 91 3.966 1.014 -12.655 1.00 3.13 O ATOM 1344 CB GLN A 91 5.662 -2.338 -12.721 1.00 1.70 C ATOM 1345 CG GLN A 91 6.583 -2.318 -13.963 1.00 2.26 C ATOM 1346 CD GLN A 91 8.023 -1.925 -13.644 1.00 2.61 C ATOM 1347 OE1 GLN A 91 8.889 -2.760 -13.417 1.00 3.52 O ATOM 1348 NE2 GLN A 91 8.361 -0.659 -13.604 1.00 2.69 N ATOM 0 H GLN A 91 4.142 -2.002 -10.699 1.00 0.72 H new ATOM 0 HA GLN A 91 6.161 -0.374 -12.095 1.00 0.92 H new ATOM 0 HB2 GLN A 91 6.164 -2.899 -11.933 1.00 1.70 H new ATOM 0 HB3 GLN A 91 4.757 -2.889 -12.977 1.00 1.70 H new ATOM 0 HG2 GLN A 91 6.578 -3.305 -14.426 1.00 2.26 H new ATOM 0 HG3 GLN A 91 6.178 -1.620 -14.696 1.00 2.26 H new ATOM 0 HE21 GLN A 91 7.663 0.061 -13.788 1.00 2.69 H new ATOM 0 HE22 GLN A 91 9.322 -0.394 -13.388 1.00 2.69 H new ATOM 1357 N ASN A 92 3.937 -0.575 -14.241 1.00 0.92 N ATOM 1358 CA ASN A 92 3.328 0.226 -15.311 1.00 1.40 C ATOM 1359 C ASN A 92 1.840 0.556 -15.140 1.00 1.48 C ATOM 1360 O ASN A 92 1.419 1.652 -15.516 1.00 2.94 O ATOM 1361 CB ASN A 92 3.591 -0.517 -16.636 1.00 2.09 C ATOM 1362 CG ASN A 92 2.955 0.140 -17.846 1.00 2.73 C ATOM 1363 OD1 ASN A 92 3.525 1.039 -18.450 1.00 3.40 O ATOM 1364 ND2 ASN A 92 1.777 -0.294 -18.232 1.00 2.78 N ATOM 0 H ASN A 92 4.035 -1.559 -14.491 1.00 0.92 H new ATOM 0 HA ASN A 92 3.795 1.211 -15.287 1.00 1.40 H new ATOM 0 HB2 ASN A 92 4.667 -0.585 -16.796 1.00 2.09 H new ATOM 0 HB3 ASN A 92 3.216 -1.537 -16.550 1.00 2.09 H new ATOM 0 HD21 ASN A 92 1.323 0.119 -19.047 1.00 2.78 H new ATOM 0 HD22 ASN A 92 1.316 -1.044 -17.717 1.00 2.78 H new ATOM 1371 N GLY A 93 1.031 -0.372 -14.627 1.00 0.97 N ATOM 1372 CA GLY A 93 -0.417 -0.175 -14.544 1.00 1.33 C ATOM 1373 C GLY A 93 -0.809 0.836 -13.471 1.00 1.16 C ATOM 1374 O GLY A 93 -0.393 0.707 -12.320 1.00 1.93 O ATOM 0 H GLY A 93 1.354 -1.268 -14.262 1.00 0.97 H new ATOM 0 HA2 GLY A 93 -0.790 0.163 -15.511 1.00 1.33 H new ATOM 0 HA3 GLY A 93 -0.899 -1.130 -14.332 1.00 1.33 H new ATOM 1378 N SER A 94 -1.626 1.831 -13.827 1.00 0.82 N ATOM 1379 CA SER A 94 -2.271 2.710 -12.847 1.00 0.85 C ATOM 1380 C SER A 94 -3.538 2.012 -12.353 1.00 0.86 C ATOM 1381 O SER A 94 -4.409 1.662 -13.158 1.00 1.10 O ATOM 1382 CB SER A 94 -2.573 4.085 -13.446 1.00 1.20 C ATOM 1383 OG SER A 94 -3.170 4.934 -12.477 1.00 2.28 O ATOM 0 H SER A 94 -1.858 2.049 -14.796 1.00 0.82 H new ATOM 0 HA SER A 94 -1.602 2.890 -12.006 1.00 0.85 H new ATOM 0 HB2 SER A 94 -1.652 4.537 -13.815 1.00 1.20 H new ATOM 0 HB3 SER A 94 -3.240 3.976 -14.302 1.00 1.20 H new ATOM 0 HG SER A 94 -2.641 4.912 -11.652 1.00 2.28 H new ATOM 1389 N LEU A 95 -3.620 1.783 -11.044 1.00 0.73 N ATOM 1390 CA LEU A 95 -4.634 0.937 -10.406 1.00 0.67 C ATOM 1391 C LEU A 95 -5.503 1.744 -9.437 1.00 0.65 C ATOM 1392 O LEU A 95 -5.062 2.774 -8.923 1.00 0.65 O ATOM 1393 CB LEU A 95 -3.976 -0.235 -9.643 1.00 0.59 C ATOM 1394 CG LEU A 95 -2.715 -0.891 -10.217 1.00 0.81 C ATOM 1395 CD1 LEU A 95 -2.200 -1.953 -9.242 1.00 0.69 C ATOM 1396 CD2 LEU A 95 -3.050 -1.573 -11.524 1.00 1.12 C ATOM 0 H LEU A 95 -2.966 2.191 -10.376 1.00 0.73 H new ATOM 0 HA LEU A 95 -5.266 0.540 -11.201 1.00 0.67 H new ATOM 0 HB2 LEU A 95 -3.733 0.121 -8.642 1.00 0.59 H new ATOM 0 HB3 LEU A 95 -4.728 -1.015 -9.530 1.00 0.59 H new ATOM 0 HG LEU A 95 -1.957 -0.123 -10.374 1.00 0.81 H new ATOM 0 HD11 LEU A 95 -1.303 -2.419 -9.651 1.00 0.69 H new ATOM 0 HD12 LEU A 95 -1.962 -1.485 -8.287 1.00 0.69 H new ATOM 0 HD13 LEU A 95 -2.967 -2.713 -9.093 1.00 0.69 H new ATOM 0 HD21 LEU A 95 -2.153 -2.039 -11.932 1.00 1.12 H new ATOM 0 HD22 LEU A 95 -3.809 -2.336 -11.352 1.00 1.12 H new ATOM 0 HD23 LEU A 95 -3.430 -0.836 -12.232 1.00 1.12 H new ATOM 1408 N LEU A 96 -6.710 1.258 -9.138 1.00 0.69 N ATOM 1409 CA LEU A 96 -7.545 1.802 -8.062 1.00 0.70 C ATOM 1410 C LEU A 96 -7.775 0.724 -6.986 1.00 0.58 C ATOM 1411 O LEU A 96 -8.202 -0.399 -7.278 1.00 0.65 O ATOM 1412 CB LEU A 96 -8.848 2.442 -8.588 1.00 1.06 C ATOM 1413 CG LEU A 96 -8.704 3.787 -9.340 1.00 1.47 C ATOM 1414 CD1 LEU A 96 -8.008 3.716 -10.703 1.00 2.06 C ATOM 1415 CD2 LEU A 96 -10.090 4.376 -9.609 1.00 1.98 C ATOM 0 H LEU A 96 -7.137 0.476 -9.635 1.00 0.69 H new ATOM 0 HA LEU A 96 -7.012 2.627 -7.590 1.00 0.70 H new ATOM 0 HB2 LEU A 96 -9.333 1.729 -9.255 1.00 1.06 H new ATOM 0 HB3 LEU A 96 -9.518 2.594 -7.742 1.00 1.06 H new ATOM 0 HG LEU A 96 -8.083 4.392 -8.679 1.00 1.47 H new ATOM 0 HD11 LEU A 96 -7.962 4.713 -11.140 1.00 2.06 H new ATOM 0 HD12 LEU A 96 -6.997 3.328 -10.576 1.00 2.06 H new ATOM 0 HD13 LEU A 96 -8.569 3.056 -11.364 1.00 2.06 H new ATOM 0 HD21 LEU A 96 -9.986 5.323 -10.139 1.00 1.98 H new ATOM 0 HD22 LEU A 96 -10.669 3.681 -10.218 1.00 1.98 H new ATOM 0 HD23 LEU A 96 -10.604 4.544 -8.663 1.00 1.98 H new ATOM 1427 N ILE A 97 -7.442 1.073 -5.741 1.00 0.48 N ATOM 1428 CA ILE A 97 -7.368 0.165 -4.588 1.00 0.41 C ATOM 1429 C ILE A 97 -8.363 0.591 -3.502 1.00 0.39 C ATOM 1430 O ILE A 97 -8.471 1.777 -3.184 1.00 0.39 O ATOM 1431 CB ILE A 97 -5.922 0.120 -4.028 1.00 0.46 C ATOM 1432 CG1 ILE A 97 -4.858 -0.112 -5.129 1.00 0.69 C ATOM 1433 CG2 ILE A 97 -5.764 -0.989 -2.972 1.00 0.54 C ATOM 1434 CD1 ILE A 97 -4.249 1.183 -5.682 1.00 1.31 C ATOM 0 H ILE A 97 -7.206 2.035 -5.496 1.00 0.48 H new ATOM 0 HA ILE A 97 -7.638 -0.838 -4.918 1.00 0.41 H new ATOM 0 HB ILE A 97 -5.756 1.099 -3.579 1.00 0.46 H new ATOM 0 HG12 ILE A 97 -4.060 -0.735 -4.725 1.00 0.69 H new ATOM 0 HG13 ILE A 97 -5.312 -0.668 -5.949 1.00 0.69 H new ATOM 0 HG21 ILE A 97 -4.740 -0.994 -2.600 1.00 0.54 H new ATOM 0 HG22 ILE A 97 -6.450 -0.804 -2.145 1.00 0.54 H new ATOM 0 HG23 ILE A 97 -5.991 -1.955 -3.422 1.00 0.54 H new ATOM 0 HD11 ILE A 97 -3.513 0.941 -6.448 1.00 1.31 H new ATOM 0 HD12 ILE A 97 -5.036 1.799 -6.117 1.00 1.31 H new ATOM 0 HD13 ILE A 97 -3.765 1.731 -4.874 1.00 1.31 H new ATOM 1446 N CYS A 98 -9.057 -0.367 -2.883 1.00 0.46 N ATOM 1447 CA CYS A 98 -9.916 -0.097 -1.731 1.00 0.51 C ATOM 1448 C CYS A 98 -9.089 0.041 -0.441 1.00 0.64 C ATOM 1449 O CYS A 98 -8.574 -0.932 0.112 1.00 0.86 O ATOM 1450 CB CYS A 98 -11.061 -1.128 -1.646 1.00 0.74 C ATOM 1451 SG CYS A 98 -10.487 -2.841 -1.466 1.00 1.85 S ATOM 0 H CYS A 98 -9.039 -1.347 -3.166 1.00 0.46 H new ATOM 0 HA CYS A 98 -10.401 0.870 -1.865 1.00 0.51 H new ATOM 0 HB2 CYS A 98 -11.702 -0.878 -0.800 1.00 0.74 H new ATOM 0 HB3 CYS A 98 -11.674 -1.052 -2.544 1.00 0.74 H new ATOM 0 HG CYS A 98 -9.593 -3.097 -2.374 1.00 1.85 H new ATOM 1457 N ALA A 99 -8.950 1.273 0.052 1.00 0.72 N ATOM 1458 CA ALA A 99 -8.349 1.570 1.346 1.00 0.94 C ATOM 1459 C ALA A 99 -9.368 1.269 2.454 1.00 1.19 C ATOM 1460 O ALA A 99 -10.067 2.147 2.958 1.00 1.68 O ATOM 1461 CB ALA A 99 -7.865 3.022 1.340 1.00 1.05 C ATOM 0 H ALA A 99 -9.259 2.106 -0.449 1.00 0.72 H new ATOM 0 HA ALA A 99 -7.480 0.942 1.541 1.00 0.94 H new ATOM 0 HB1 ALA A 99 -7.413 3.259 2.303 1.00 1.05 H new ATOM 0 HB2 ALA A 99 -7.127 3.156 0.549 1.00 1.05 H new ATOM 0 HB3 ALA A 99 -8.711 3.687 1.163 1.00 1.05 H new ATOM 1467 N THR A 100 -9.436 -0.011 2.814 1.00 1.14 N ATOM 1468 CA THR A 100 -10.377 -0.602 3.779 1.00 1.37 C ATOM 1469 C THR A 100 -9.716 -0.846 5.150 1.00 1.18 C ATOM 1470 O THR A 100 -10.333 -1.402 6.057 1.00 1.23 O ATOM 1471 CB THR A 100 -11.014 -1.848 3.124 1.00 1.84 C ATOM 1472 OG1 THR A 100 -12.067 -2.395 3.881 1.00 3.04 O ATOM 1473 CG2 THR A 100 -10.029 -2.986 2.872 1.00 1.52 C ATOM 0 H THR A 100 -8.803 -0.708 2.421 1.00 1.14 H new ATOM 0 HA THR A 100 -11.185 0.091 4.013 1.00 1.37 H new ATOM 0 HB THR A 100 -11.383 -1.458 2.175 1.00 1.84 H new ATOM 0 HG1 THR A 100 -11.906 -2.229 4.833 1.00 3.04 H new ATOM 0 HG21 THR A 100 -10.552 -3.824 2.411 1.00 1.52 H new ATOM 0 HG22 THR A 100 -9.237 -2.641 2.207 1.00 1.52 H new ATOM 0 HG23 THR A 100 -9.594 -3.307 3.818 1.00 1.52 H new ATOM 1481 N HIS A 101 -8.494 -0.335 5.347 1.00 1.01 N ATOM 1482 CA HIS A 101 -7.734 -0.369 6.600 1.00 0.92 C ATOM 1483 C HIS A 101 -6.905 0.915 6.791 1.00 0.74 C ATOM 1484 O HIS A 101 -6.485 1.528 5.808 1.00 0.72 O ATOM 1485 CB HIS A 101 -6.773 -1.567 6.585 1.00 1.16 C ATOM 1486 CG HIS A 101 -7.409 -2.886 6.239 1.00 1.55 C ATOM 1487 ND1 HIS A 101 -7.255 -3.557 5.050 1.00 1.82 N ATOM 1488 CD2 HIS A 101 -8.173 -3.676 7.055 1.00 1.82 C ATOM 1489 CE1 HIS A 101 -7.893 -4.734 5.145 1.00 2.15 C ATOM 1490 NE2 HIS A 101 -8.453 -4.863 6.362 1.00 2.14 N ATOM 0 H HIS A 101 -7.985 0.136 4.599 1.00 1.01 H new ATOM 0 HA HIS A 101 -8.448 -0.454 7.419 1.00 0.92 H new ATOM 0 HB2 HIS A 101 -5.976 -1.366 5.869 1.00 1.16 H new ATOM 0 HB3 HIS A 101 -6.306 -1.652 7.566 1.00 1.16 H new ATOM 0 HD1 HIS A 101 -6.744 -3.219 4.235 1.00 1.82 H new ATOM 0 HD2 HIS A 101 -8.502 -3.429 8.054 1.00 1.82 H new ATOM 0 HE1 HIS A 101 -7.949 -5.472 4.358 1.00 2.15 H new ATOM 1498 N VAL A 102 -6.625 1.286 8.044 1.00 0.84 N ATOM 1499 CA VAL A 102 -5.652 2.336 8.427 1.00 1.02 C ATOM 1500 C VAL A 102 -4.373 1.730 9.026 1.00 1.30 C ATOM 1501 O VAL A 102 -4.328 0.537 9.333 1.00 1.36 O ATOM 1502 CB VAL A 102 -6.269 3.358 9.402 1.00 1.08 C ATOM 1503 CG1 VAL A 102 -7.341 4.198 8.705 1.00 1.47 C ATOM 1504 CG2 VAL A 102 -6.849 2.694 10.657 1.00 1.77 C ATOM 0 H VAL A 102 -7.078 0.856 8.850 1.00 0.84 H new ATOM 0 HA VAL A 102 -5.383 2.863 7.512 1.00 1.02 H new ATOM 0 HB VAL A 102 -5.458 4.011 9.724 1.00 1.08 H new ATOM 0 HG11 VAL A 102 -7.762 4.912 9.413 1.00 1.47 H new ATOM 0 HG12 VAL A 102 -6.895 4.737 7.869 1.00 1.47 H new ATOM 0 HG13 VAL A 102 -8.132 3.545 8.335 1.00 1.47 H new ATOM 0 HG21 VAL A 102 -7.271 3.457 11.311 1.00 1.77 H new ATOM 0 HG22 VAL A 102 -7.630 1.991 10.369 1.00 1.77 H new ATOM 0 HG23 VAL A 102 -6.058 2.161 11.185 1.00 1.77 H new ATOM 1514 N GLY A 103 -3.329 2.538 9.247 1.00 1.58 N ATOM 1515 CA GLY A 103 -2.034 2.083 9.776 1.00 1.95 C ATOM 1516 C GLY A 103 -2.068 1.349 11.126 1.00 2.09 C ATOM 1517 O GLY A 103 -1.201 0.513 11.378 1.00 2.22 O ATOM 0 H GLY A 103 -3.359 3.541 9.061 1.00 1.58 H new ATOM 0 HA2 GLY A 103 -1.577 1.422 9.039 1.00 1.95 H new ATOM 0 HA3 GLY A 103 -1.381 2.950 9.875 1.00 1.95 H new ATOM 1521 N ALA A 104 -3.083 1.565 11.970 1.00 2.20 N ATOM 1522 CA ALA A 104 -3.267 0.776 13.191 1.00 2.47 C ATOM 1523 C ALA A 104 -3.541 -0.717 12.896 1.00 2.26 C ATOM 1524 O ALA A 104 -2.954 -1.594 13.527 1.00 2.33 O ATOM 1525 CB ALA A 104 -4.393 1.408 14.019 1.00 2.85 C ATOM 0 H ALA A 104 -3.793 2.284 11.828 1.00 2.20 H new ATOM 0 HA ALA A 104 -2.339 0.794 13.763 1.00 2.47 H new ATOM 0 HB1 ALA A 104 -4.541 0.831 14.932 1.00 2.85 H new ATOM 0 HB2 ALA A 104 -4.124 2.432 14.277 1.00 2.85 H new ATOM 0 HB3 ALA A 104 -5.315 1.411 13.437 1.00 2.85 H new ATOM 1531 N ASP A 105 -4.393 -1.024 11.914 1.00 2.08 N ATOM 1532 CA ASP A 105 -4.767 -2.394 11.528 1.00 2.04 C ATOM 1533 C ASP A 105 -3.690 -3.176 10.754 1.00 1.79 C ATOM 1534 O ASP A 105 -3.711 -4.412 10.746 1.00 1.87 O ATOM 1535 CB ASP A 105 -6.053 -2.333 10.693 1.00 2.17 C ATOM 1536 CG ASP A 105 -6.460 -3.718 10.183 1.00 2.69 C ATOM 1537 OD1 ASP A 105 -7.101 -4.466 10.964 1.00 2.95 O ATOM 1538 OD2 ASP A 105 -6.085 -4.082 9.044 1.00 3.83 O ATOM 0 H ASP A 105 -4.855 -0.311 11.349 1.00 2.08 H new ATOM 0 HA ASP A 105 -4.904 -2.943 12.459 1.00 2.04 H new ATOM 0 HB2 ASP A 105 -6.859 -1.915 11.296 1.00 2.17 H new ATOM 0 HB3 ASP A 105 -5.907 -1.662 9.847 1.00 2.17 H new ATOM 1543 N THR A 106 -2.753 -2.490 10.095 1.00 1.61 N ATOM 1544 CA THR A 106 -1.877 -3.140 9.111 1.00 1.51 C ATOM 1545 C THR A 106 -0.830 -4.076 9.716 1.00 1.44 C ATOM 1546 O THR A 106 -0.229 -3.779 10.752 1.00 1.35 O ATOM 1547 CB THR A 106 -1.277 -2.127 8.127 1.00 1.44 C ATOM 1548 OG1 THR A 106 -0.852 -2.799 6.968 1.00 2.96 O ATOM 1549 CG2 THR A 106 -0.078 -1.343 8.643 1.00 2.47 C ATOM 0 H THR A 106 -2.580 -1.493 10.222 1.00 1.61 H new ATOM 0 HA THR A 106 -2.525 -3.803 8.538 1.00 1.51 H new ATOM 0 HB THR A 106 -2.079 -1.411 7.948 1.00 1.44 H new ATOM 0 HG1 THR A 106 -1.612 -2.917 6.361 1.00 2.96 H new ATOM 0 HG21 THR A 106 0.268 -0.656 7.870 1.00 2.47 H new ATOM 0 HG22 THR A 106 -0.367 -0.777 9.528 1.00 2.47 H new ATOM 0 HG23 THR A 106 0.725 -2.034 8.900 1.00 2.47 H new ATOM 1557 N THR A 107 -0.549 -5.196 9.042 1.00 1.55 N ATOM 1558 CA THR A 107 0.517 -6.129 9.448 1.00 1.51 C ATOM 1559 C THR A 107 1.897 -5.469 9.446 1.00 1.29 C ATOM 1560 O THR A 107 2.746 -5.832 10.253 1.00 1.26 O ATOM 1561 CB THR A 107 0.526 -7.386 8.563 1.00 1.76 C ATOM 1562 OG1 THR A 107 -0.778 -7.912 8.477 1.00 2.04 O ATOM 1563 CG2 THR A 107 1.404 -8.505 9.124 1.00 3.52 C ATOM 0 H THR A 107 -1.050 -5.484 8.202 1.00 1.55 H new ATOM 0 HA THR A 107 0.295 -6.426 10.473 1.00 1.51 H new ATOM 0 HB THR A 107 0.918 -7.071 7.596 1.00 1.76 H new ATOM 0 HG1 THR A 107 -0.771 -8.712 7.911 1.00 2.04 H new ATOM 0 HG21 THR A 107 1.369 -9.365 8.455 1.00 3.52 H new ATOM 0 HG22 THR A 107 2.432 -8.153 9.209 1.00 3.52 H new ATOM 0 HG23 THR A 107 1.038 -8.796 10.108 1.00 3.52 H new ATOM 1571 N LEU A 108 2.115 -4.436 8.622 1.00 1.24 N ATOM 1572 CA LEU A 108 3.369 -3.674 8.602 1.00 1.12 C ATOM 1573 C LEU A 108 3.689 -3.046 9.976 1.00 1.00 C ATOM 1574 O LEU A 108 4.809 -3.173 10.470 1.00 0.94 O ATOM 1575 CB LEU A 108 3.270 -2.608 7.496 1.00 1.26 C ATOM 1576 CG LEU A 108 4.634 -2.217 6.914 1.00 0.74 C ATOM 1577 CD1 LEU A 108 5.109 -3.225 5.872 1.00 1.50 C ATOM 1578 CD2 LEU A 108 4.508 -0.872 6.217 1.00 0.75 C ATOM 0 H LEU A 108 1.424 -4.105 7.949 1.00 1.24 H new ATOM 0 HA LEU A 108 4.197 -4.349 8.387 1.00 1.12 H new ATOM 0 HB2 LEU A 108 2.633 -2.983 6.694 1.00 1.26 H new ATOM 0 HB3 LEU A 108 2.785 -1.719 7.899 1.00 1.26 H new ATOM 0 HG LEU A 108 5.348 -2.184 7.737 1.00 0.74 H new ATOM 0 HD11 LEU A 108 6.078 -2.915 5.482 1.00 1.50 H new ATOM 0 HD12 LEU A 108 5.201 -4.209 6.333 1.00 1.50 H new ATOM 0 HD13 LEU A 108 4.388 -3.272 5.056 1.00 1.50 H new ATOM 0 HD21 LEU A 108 5.474 -0.586 5.800 1.00 0.75 H new ATOM 0 HD22 LEU A 108 3.774 -0.945 5.415 1.00 0.75 H new ATOM 0 HD23 LEU A 108 4.186 -0.119 6.936 1.00 0.75 H new ATOM 1590 N SER A 109 2.697 -2.412 10.616 1.00 1.06 N ATOM 1591 CA SER A 109 2.806 -1.894 11.985 1.00 1.06 C ATOM 1592 C SER A 109 2.795 -3.001 13.048 1.00 1.08 C ATOM 1593 O SER A 109 3.422 -2.856 14.096 1.00 1.10 O ATOM 1594 CB SER A 109 1.749 -0.816 12.256 1.00 1.16 C ATOM 1595 OG SER A 109 0.439 -1.344 12.337 1.00 2.60 O ATOM 0 H SER A 109 1.785 -2.243 10.191 1.00 1.06 H new ATOM 0 HA SER A 109 3.785 -1.422 12.066 1.00 1.06 H new ATOM 0 HB2 SER A 109 1.988 -0.304 13.188 1.00 1.16 H new ATOM 0 HB3 SER A 109 1.787 -0.069 11.464 1.00 1.16 H new ATOM 0 HG SER A 109 -0.169 -0.796 11.798 1.00 2.60 H new ATOM 1601 N GLN A 110 2.166 -4.148 12.771 1.00 1.15 N ATOM 1602 CA GLN A 110 2.211 -5.307 13.674 1.00 1.24 C ATOM 1603 C GLN A 110 3.620 -5.916 13.779 1.00 1.19 C ATOM 1604 O GLN A 110 4.066 -6.252 14.876 1.00 1.26 O ATOM 1605 CB GLN A 110 1.189 -6.362 13.224 1.00 1.44 C ATOM 1606 CG GLN A 110 0.889 -7.387 14.323 1.00 1.57 C ATOM 1607 CD GLN A 110 0.000 -6.762 15.383 1.00 1.59 C ATOM 1608 OE1 GLN A 110 0.441 -6.272 16.414 1.00 1.51 O ATOM 1609 NE2 GLN A 110 -1.280 -6.674 15.127 1.00 1.88 N ATOM 0 H GLN A 110 1.617 -4.301 11.925 1.00 1.15 H new ATOM 0 HA GLN A 110 1.949 -4.957 14.673 1.00 1.24 H new ATOM 0 HB2 GLN A 110 0.264 -5.866 12.930 1.00 1.44 H new ATOM 0 HB3 GLN A 110 1.568 -6.879 12.342 1.00 1.44 H new ATOM 0 HG2 GLN A 110 0.399 -8.261 13.894 1.00 1.57 H new ATOM 0 HG3 GLN A 110 1.819 -7.733 14.774 1.00 1.57 H new ATOM 0 HE21 GLN A 110 -1.658 -7.079 14.270 1.00 1.88 H new ATOM 0 HE22 GLN A 110 -1.900 -6.200 15.784 1.00 1.88 H new ATOM 1618 N ILE A 111 4.350 -6.001 12.660 1.00 1.12 N ATOM 1619 CA ILE A 111 5.747 -6.474 12.610 1.00 1.15 C ATOM 1620 C ILE A 111 6.615 -5.676 13.593 1.00 1.05 C ATOM 1621 O ILE A 111 7.280 -6.278 14.442 1.00 1.18 O ATOM 1622 CB ILE A 111 6.301 -6.415 11.162 1.00 1.17 C ATOM 1623 CG1 ILE A 111 5.628 -7.501 10.292 1.00 1.37 C ATOM 1624 CG2 ILE A 111 7.831 -6.605 11.119 1.00 1.29 C ATOM 1625 CD1 ILE A 111 5.792 -7.288 8.781 1.00 1.40 C ATOM 0 H ILE A 111 3.983 -5.739 11.745 1.00 1.12 H new ATOM 0 HA ILE A 111 5.776 -7.519 12.918 1.00 1.15 H new ATOM 0 HB ILE A 111 6.072 -5.424 10.769 1.00 1.17 H new ATOM 0 HG12 ILE A 111 6.044 -8.473 10.558 1.00 1.37 H new ATOM 0 HG13 ILE A 111 4.565 -7.534 10.530 1.00 1.37 H new ATOM 0 HG21 ILE A 111 8.175 -6.556 10.086 1.00 1.29 H new ATOM 0 HG22 ILE A 111 8.312 -5.817 11.699 1.00 1.29 H new ATOM 0 HG23 ILE A 111 8.089 -7.576 11.542 1.00 1.29 H new ATOM 0 HD11 ILE A 111 5.291 -8.093 8.244 1.00 1.40 H new ATOM 0 HD12 ILE A 111 5.350 -6.333 8.498 1.00 1.40 H new ATOM 0 HD13 ILE A 111 6.852 -7.287 8.527 1.00 1.40 H new ATOM 1637 N VAL A 112 6.575 -4.337 13.519 1.00 0.90 N ATOM 1638 CA VAL A 112 7.377 -3.464 14.400 1.00 0.93 C ATOM 1639 C VAL A 112 6.911 -3.468 15.861 1.00 1.01 C ATOM 1640 O VAL A 112 7.730 -3.235 16.750 1.00 1.13 O ATOM 1641 CB VAL A 112 7.516 -2.023 13.870 1.00 0.96 C ATOM 1642 CG1 VAL A 112 8.130 -2.006 12.465 1.00 0.95 C ATOM 1643 CG2 VAL A 112 6.200 -1.252 13.818 1.00 0.99 C ATOM 0 H VAL A 112 5.992 -3.829 12.854 1.00 0.90 H new ATOM 0 HA VAL A 112 8.371 -3.912 14.384 1.00 0.93 H new ATOM 0 HB VAL A 112 8.170 -1.528 14.588 1.00 0.96 H new ATOM 0 HG11 VAL A 112 8.216 -0.976 12.118 1.00 0.95 H new ATOM 0 HG12 VAL A 112 9.119 -2.462 12.495 1.00 0.95 H new ATOM 0 HG13 VAL A 112 7.492 -2.567 11.782 1.00 0.95 H new ATOM 0 HG21 VAL A 112 6.381 -0.248 13.435 1.00 0.99 H new ATOM 0 HG22 VAL A 112 5.501 -1.770 13.162 1.00 0.99 H new ATOM 0 HG23 VAL A 112 5.777 -1.187 14.820 1.00 0.99 H new ATOM 1653 N LYS A 113 5.640 -3.790 16.142 1.00 1.03 N ATOM 1654 CA LYS A 113 5.145 -4.005 17.514 1.00 1.17 C ATOM 1655 C LYS A 113 5.703 -5.289 18.125 1.00 1.25 C ATOM 1656 O LYS A 113 6.198 -5.255 19.250 1.00 1.40 O ATOM 1657 CB LYS A 113 3.608 -4.034 17.541 1.00 1.30 C ATOM 1658 CG LYS A 113 2.990 -2.634 17.406 1.00 1.38 C ATOM 1659 CD LYS A 113 1.485 -2.665 17.126 1.00 1.73 C ATOM 1660 CE LYS A 113 0.762 -3.390 18.256 1.00 2.51 C ATOM 1661 NZ LYS A 113 -0.708 -3.309 18.099 1.00 2.81 N ATOM 0 H LYS A 113 4.924 -3.909 15.425 1.00 1.03 H new ATOM 0 HA LYS A 113 5.496 -3.167 18.116 1.00 1.17 H new ATOM 0 HB2 LYS A 113 3.246 -4.667 16.731 1.00 1.30 H new ATOM 0 HB3 LYS A 113 3.273 -4.487 18.474 1.00 1.30 H new ATOM 0 HG2 LYS A 113 3.171 -2.074 18.323 1.00 1.38 H new ATOM 0 HG3 LYS A 113 3.492 -2.098 16.601 1.00 1.38 H new ATOM 0 HD2 LYS A 113 1.103 -1.649 17.031 1.00 1.73 H new ATOM 0 HD3 LYS A 113 1.293 -3.168 16.178 1.00 1.73 H new ATOM 0 HE2 LYS A 113 1.070 -4.435 18.275 1.00 2.51 H new ATOM 0 HE3 LYS A 113 1.051 -2.955 19.213 1.00 2.51 H new ATOM 0 HZ1 LYS A 113 -1.169 -3.812 18.884 1.00 2.81 H new ATOM 0 HZ2 LYS A 113 -1.003 -2.312 18.106 1.00 2.81 H new ATOM 0 HZ3 LYS A 113 -0.985 -3.746 17.197 1.00 2.81 H new ATOM 1675 N LEU A 114 5.645 -6.411 17.401 1.00 1.26 N ATOM 1676 CA LEU A 114 6.118 -7.713 17.889 1.00 1.46 C ATOM 1677 C LEU A 114 7.648 -7.824 17.960 1.00 1.47 C ATOM 1678 O LEU A 114 8.171 -8.402 18.913 1.00 1.66 O ATOM 1679 CB LEU A 114 5.493 -8.851 17.052 1.00 1.56 C ATOM 1680 CG LEU A 114 4.388 -9.621 17.783 1.00 1.96 C ATOM 1681 CD1 LEU A 114 3.721 -10.609 16.826 1.00 2.11 C ATOM 1682 CD2 LEU A 114 4.919 -10.414 18.984 1.00 2.45 C ATOM 0 H LEU A 114 5.267 -6.443 16.454 1.00 1.26 H new ATOM 0 HA LEU A 114 5.782 -7.810 18.921 1.00 1.46 H new ATOM 0 HB2 LEU A 114 5.084 -8.431 16.133 1.00 1.56 H new ATOM 0 HB3 LEU A 114 6.278 -9.549 16.761 1.00 1.56 H new ATOM 0 HG LEU A 114 3.678 -8.877 18.143 1.00 1.96 H new ATOM 0 HD11 LEU A 114 2.937 -11.153 17.353 1.00 2.11 H new ATOM 0 HD12 LEU A 114 3.286 -10.066 15.987 1.00 2.11 H new ATOM 0 HD13 LEU A 114 4.465 -11.314 16.455 1.00 2.11 H new ATOM 0 HD21 LEU A 114 4.095 -10.940 19.465 1.00 2.45 H new ATOM 0 HD22 LEU A 114 5.661 -11.136 18.644 1.00 2.45 H new ATOM 0 HD23 LEU A 114 5.379 -9.730 19.697 1.00 2.45 H new ATOM 1694 N VAL A 115 8.390 -7.258 17.003 1.00 1.33 N ATOM 1695 CA VAL A 115 9.869 -7.314 17.007 1.00 1.43 C ATOM 1696 C VAL A 115 10.491 -6.443 18.109 1.00 1.58 C ATOM 1697 O VAL A 115 11.630 -6.668 18.515 1.00 2.00 O ATOM 1698 CB VAL A 115 10.427 -7.009 15.602 1.00 1.31 C ATOM 1699 CG1 VAL A 115 10.515 -5.512 15.322 1.00 2.47 C ATOM 1700 CG2 VAL A 115 11.811 -7.623 15.375 1.00 2.72 C ATOM 0 H VAL A 115 7.996 -6.752 16.210 1.00 1.33 H new ATOM 0 HA VAL A 115 10.164 -8.333 17.256 1.00 1.43 H new ATOM 0 HB VAL A 115 9.714 -7.463 14.914 1.00 1.31 H new ATOM 0 HG11 VAL A 115 10.914 -5.352 14.320 1.00 2.47 H new ATOM 0 HG12 VAL A 115 9.521 -5.070 15.392 1.00 2.47 H new ATOM 0 HG13 VAL A 115 11.173 -5.043 16.054 1.00 2.47 H new ATOM 0 HG21 VAL A 115 12.157 -7.378 14.371 1.00 2.72 H new ATOM 0 HG22 VAL A 115 12.511 -7.223 16.108 1.00 2.72 H new ATOM 0 HG23 VAL A 115 11.751 -8.706 15.484 1.00 2.72 H new ATOM 1710 N GLU A 116 9.730 -5.484 18.645 1.00 1.41 N ATOM 1711 CA GLU A 116 10.088 -4.735 19.853 1.00 1.58 C ATOM 1712 C GLU A 116 9.965 -5.618 21.106 1.00 1.91 C ATOM 1713 O GLU A 116 10.794 -5.527 22.005 1.00 2.18 O ATOM 1714 CB GLU A 116 9.200 -3.479 19.931 1.00 1.55 C ATOM 1715 CG GLU A 116 9.508 -2.526 21.097 1.00 2.03 C ATOM 1716 CD GLU A 116 8.964 -3.002 22.449 1.00 2.83 C ATOM 1717 OE1 GLU A 116 7.744 -3.246 22.572 1.00 3.73 O ATOM 1718 OE2 GLU A 116 9.746 -3.157 23.422 1.00 3.61 O ATOM 0 H GLU A 116 8.835 -5.202 18.246 1.00 1.41 H new ATOM 0 HA GLU A 116 11.131 -4.423 19.805 1.00 1.58 H new ATOM 0 HB2 GLU A 116 9.298 -2.926 18.997 1.00 1.55 H new ATOM 0 HB3 GLU A 116 8.159 -3.794 20.007 1.00 1.55 H new ATOM 0 HG2 GLU A 116 10.588 -2.400 21.175 1.00 2.03 H new ATOM 0 HG3 GLU A 116 9.088 -1.545 20.872 1.00 2.03 H new ATOM 1725 N GLU A 117 8.974 -6.514 21.169 1.00 1.97 N ATOM 1726 CA GLU A 117 8.793 -7.459 22.282 1.00 2.36 C ATOM 1727 C GLU A 117 9.826 -8.596 22.282 1.00 2.55 C ATOM 1728 O GLU A 117 9.918 -9.353 23.252 1.00 2.90 O ATOM 1729 CB GLU A 117 7.384 -8.059 22.217 1.00 2.42 C ATOM 1730 CG GLU A 117 6.267 -7.025 22.379 1.00 2.48 C ATOM 1731 CD GLU A 117 5.853 -6.859 23.844 1.00 2.98 C ATOM 1732 OE1 GLU A 117 5.169 -7.766 24.384 1.00 3.52 O ATOM 1733 OE2 GLU A 117 6.173 -5.812 24.462 1.00 3.58 O ATOM 0 H GLU A 117 8.265 -6.606 20.441 1.00 1.97 H new ATOM 0 HA GLU A 117 8.936 -6.895 23.204 1.00 2.36 H new ATOM 0 HB2 GLU A 117 7.259 -8.569 21.262 1.00 2.42 H new ATOM 0 HB3 GLU A 117 7.284 -8.814 22.997 1.00 2.42 H new ATOM 0 HG2 GLU A 117 6.600 -6.065 21.985 1.00 2.48 H new ATOM 0 HG3 GLU A 117 5.402 -7.329 21.789 1.00 2.48 H new ATOM 1740 N ALA A 118 10.595 -8.758 21.205 1.00 2.47 N ATOM 1741 CA ALA A 118 11.722 -9.689 21.169 1.00 2.86 C ATOM 1742 C ALA A 118 12.882 -9.156 22.034 1.00 3.10 C ATOM 1743 O ALA A 118 13.293 -9.813 22.993 1.00 3.65 O ATOM 1744 CB ALA A 118 12.080 -9.976 19.707 1.00 2.89 C ATOM 0 H ALA A 118 10.454 -8.247 20.333 1.00 2.47 H new ATOM 0 HA ALA A 118 11.462 -10.649 21.614 1.00 2.86 H new ATOM 0 HB1 ALA A 118 12.920 -10.670 19.667 1.00 2.89 H new ATOM 0 HB2 ALA A 118 11.221 -10.417 19.202 1.00 2.89 H new ATOM 0 HB3 ALA A 118 12.354 -9.045 19.210 1.00 2.89 H new ATOM 1750 N GLN A 119 13.353 -7.934 21.753 1.00 2.82 N ATOM 1751 CA GLN A 119 14.376 -7.229 22.546 1.00 3.12 C ATOM 1752 C GLN A 119 14.022 -7.037 24.027 1.00 3.45 C ATOM 1753 O GLN A 119 14.867 -7.433 24.863 1.00 3.94 O ATOM 1754 CB GLN A 119 14.722 -5.894 21.863 1.00 2.93 C ATOM 1755 CG GLN A 119 15.715 -6.037 20.699 1.00 3.00 C ATOM 1756 CD GLN A 119 15.020 -5.869 19.369 1.00 3.13 C ATOM 1757 OE1 GLN A 119 14.959 -4.786 18.795 1.00 4.28 O ATOM 1758 NE2 GLN A 119 14.440 -6.927 18.862 1.00 2.73 N ATOM 0 H GLN A 119 13.028 -7.394 20.951 1.00 2.82 H new ATOM 0 HA GLN A 119 15.254 -7.874 22.567 1.00 3.12 H new ATOM 0 HB2 GLN A 119 13.805 -5.437 21.493 1.00 2.93 H new ATOM 0 HB3 GLN A 119 15.140 -5.214 22.605 1.00 2.93 H new ATOM 0 HG2 GLN A 119 16.505 -5.292 20.797 1.00 3.00 H new ATOM 0 HG3 GLN A 119 16.193 -7.016 20.742 1.00 3.00 H new ATOM 0 HE21 GLN A 119 14.497 -7.822 19.348 1.00 2.73 H new ATOM 0 HE22 GLN A 119 13.931 -6.857 17.981 1.00 2.73 H new TER 1767 GLN A 119