USER MOD reduce.3.24.130724 H: found=0, std=0, add=776, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 776 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 100 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 101 HIS : no HE2:sc= 0.697 K(o=0.7,f=-2.9!) USER MOD Set 2.1: A 62 SER OG : rot 17:sc= 1.17 USER MOD Set 2.2: A 90 ASN : amide:sc= 0.073 K(o=1.2,f=-0.74) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 77:sc= 0.0372 USER MOD Single : A 11 GLN : amide:sc= -0.447 X(o=-0.45,f=-0.64) 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 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -0.0777 X(o=-0.078,f=0) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HD1:sc= -0.0404 X(o=-0.04,f=-0.04) USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot -159:sc= 1.12 USER MOD Single : A 74 MET CE :methyl -176:sc= 0 (180deg=-0.0271) USER MOD Single : A 78 LYS NZ :NH3+ -175:sc= 2.44 (180deg=2.39) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 120:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot -67:sc= 1.01 USER MOD Single : A 91 GLN : amide:sc= -0.0131 X(o=-0.013,f=-0.013) USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 98 CYS SG : rot -39:sc= 0.625 USER MOD Single : A 106 THR OG1 : rot -84:sc= 1.55 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 119:sc= 1.24 USER MOD Single : A 110 GLN : amide:sc=-0.00559 X(o=-0.0056,f=0) USER MOD ----------------------------------------------------------------- ATOM 27 N ALA A 3 16.771 -2.283 11.301 1.00 1.67 N ATOM 28 CA ALA A 3 15.689 -2.768 10.442 1.00 1.49 C ATOM 29 C ALA A 3 14.293 -2.566 11.063 1.00 1.18 C ATOM 30 O ALA A 3 13.332 -2.314 10.338 1.00 1.07 O ATOM 31 CB ALA A 3 15.937 -4.252 10.147 1.00 1.68 C ATOM 0 HA ALA A 3 15.695 -2.184 9.522 1.00 1.49 H new ATOM 0 HB1 ALA A 3 15.141 -4.634 9.507 1.00 1.68 H new ATOM 0 HB2 ALA A 3 16.896 -4.367 9.641 1.00 1.68 H new ATOM 0 HB3 ALA A 3 15.951 -4.812 11.082 1.00 1.68 H new ATOM 37 N LEU A 4 14.179 -2.586 12.396 1.00 1.17 N ATOM 38 CA LEU A 4 12.902 -2.442 13.106 1.00 1.00 C ATOM 39 C LEU A 4 12.260 -1.055 12.911 1.00 1.04 C ATOM 40 O LEU A 4 11.035 -0.925 12.951 1.00 1.13 O ATOM 41 CB LEU A 4 13.152 -2.741 14.597 1.00 1.15 C ATOM 42 CG LEU A 4 11.873 -2.951 15.427 1.00 1.23 C ATOM 43 CD1 LEU A 4 11.242 -4.297 15.091 1.00 1.33 C ATOM 44 CD2 LEU A 4 12.205 -2.945 16.916 1.00 1.66 C ATOM 0 H LEU A 4 14.978 -2.704 13.019 1.00 1.17 H new ATOM 0 HA LEU A 4 12.185 -3.150 12.690 1.00 1.00 H new ATOM 0 HB2 LEU A 4 13.773 -3.633 14.677 1.00 1.15 H new ATOM 0 HB3 LEU A 4 13.720 -1.918 15.030 1.00 1.15 H new ATOM 0 HG LEU A 4 11.182 -2.142 15.191 1.00 1.23 H new ATOM 0 HD11 LEU A 4 10.338 -4.433 15.685 1.00 1.33 H new ATOM 0 HD12 LEU A 4 10.988 -4.325 14.031 1.00 1.33 H new ATOM 0 HD13 LEU A 4 11.948 -5.096 15.316 1.00 1.33 H new ATOM 0 HD21 LEU A 4 11.292 -3.094 17.493 1.00 1.66 H new ATOM 0 HD22 LEU A 4 12.908 -3.748 17.135 1.00 1.66 H new ATOM 0 HD23 LEU A 4 12.652 -1.988 17.185 1.00 1.66 H new ATOM 56 N ALA A 5 13.064 -0.008 12.698 1.00 1.16 N ATOM 57 CA ALA A 5 12.576 1.306 12.278 1.00 1.26 C ATOM 58 C ALA A 5 12.222 1.394 10.776 1.00 1.09 C ATOM 59 O ALA A 5 11.398 2.226 10.388 1.00 1.08 O ATOM 60 CB ALA A 5 13.639 2.342 12.657 1.00 1.59 C ATOM 0 H ALA A 5 14.077 -0.051 12.813 1.00 1.16 H new ATOM 0 HA ALA A 5 11.635 1.500 12.793 1.00 1.26 H new ATOM 0 HB1 ALA A 5 13.303 3.334 12.356 1.00 1.59 H new ATOM 0 HB2 ALA A 5 13.797 2.324 13.735 1.00 1.59 H new ATOM 0 HB3 ALA A 5 14.574 2.106 12.150 1.00 1.59 H new ATOM 66 N LYS A 6 12.837 0.554 9.924 1.00 1.03 N ATOM 67 CA LYS A 6 12.818 0.680 8.457 1.00 0.97 C ATOM 68 C LYS A 6 11.436 0.431 7.855 1.00 0.77 C ATOM 69 O LYS A 6 10.983 1.221 7.033 1.00 0.87 O ATOM 70 CB LYS A 6 13.909 -0.245 7.877 1.00 1.16 C ATOM 71 CG LYS A 6 14.315 0.136 6.447 1.00 1.43 C ATOM 72 CD LYS A 6 15.554 -0.645 5.977 1.00 1.81 C ATOM 73 CE LYS A 6 16.010 -0.114 4.614 1.00 2.31 C ATOM 74 NZ LYS A 6 17.250 -0.768 4.134 1.00 2.67 N ATOM 0 H LYS A 6 13.374 -0.251 10.246 1.00 1.03 H new ATOM 0 HA LYS A 6 13.043 1.710 8.182 1.00 0.97 H new ATOM 0 HB2 LYS A 6 14.788 -0.210 8.521 1.00 1.16 H new ATOM 0 HB3 LYS A 6 13.549 -1.274 7.885 1.00 1.16 H new ATOM 0 HG2 LYS A 6 13.484 -0.059 5.769 1.00 1.43 H new ATOM 0 HG3 LYS A 6 14.520 1.205 6.400 1.00 1.43 H new ATOM 0 HD2 LYS A 6 16.358 -0.544 6.706 1.00 1.81 H new ATOM 0 HD3 LYS A 6 15.321 -1.707 5.905 1.00 1.81 H new ATOM 0 HE2 LYS A 6 15.216 -0.269 3.884 1.00 2.31 H new ATOM 0 HE3 LYS A 6 16.174 0.961 4.683 1.00 2.31 H new ATOM 0 HZ1 LYS A 6 17.515 -0.373 3.209 1.00 2.67 H new ATOM 0 HZ2 LYS A 6 18.017 -0.599 4.815 1.00 2.67 H new ATOM 0 HZ3 LYS A 6 17.089 -1.791 4.040 1.00 2.67 H new ATOM 88 N LEU A 7 10.732 -0.596 8.337 1.00 0.64 N ATOM 89 CA LEU A 7 9.364 -0.958 7.922 1.00 0.73 C ATOM 90 C LEU A 7 8.401 0.251 7.947 1.00 0.84 C ATOM 91 O LEU A 7 7.627 0.446 7.013 1.00 1.05 O ATOM 92 CB LEU A 7 8.848 -2.075 8.862 1.00 0.76 C ATOM 93 CG LEU A 7 9.284 -3.531 8.580 1.00 0.83 C ATOM 94 CD1 LEU A 7 8.543 -4.120 7.382 1.00 1.06 C ATOM 95 CD2 LEU A 7 10.785 -3.715 8.363 1.00 0.86 C ATOM 0 H LEU A 7 11.106 -1.222 9.050 1.00 0.64 H new ATOM 0 HA LEU A 7 9.397 -1.307 6.890 1.00 0.73 H new ATOM 0 HB2 LEU A 7 9.159 -1.826 9.876 1.00 0.76 H new ATOM 0 HB3 LEU A 7 7.759 -2.045 8.846 1.00 0.76 H new ATOM 0 HG LEU A 7 9.020 -4.065 9.493 1.00 0.83 H new ATOM 0 HD11 LEU A 7 8.877 -5.144 7.215 1.00 1.06 H new ATOM 0 HD12 LEU A 7 7.471 -4.115 7.579 1.00 1.06 H new ATOM 0 HD13 LEU A 7 8.752 -3.522 6.495 1.00 1.06 H new ATOM 0 HD21 LEU A 7 10.999 -4.767 8.172 1.00 0.86 H new ATOM 0 HD22 LEU A 7 11.105 -3.119 7.509 1.00 0.86 H new ATOM 0 HD23 LEU A 7 11.324 -3.391 9.253 1.00 0.86 H new ATOM 107 N ILE A 8 8.480 1.086 8.990 1.00 0.88 N ATOM 108 CA ILE A 8 7.692 2.324 9.126 1.00 1.06 C ATOM 109 C ILE A 8 8.170 3.437 8.173 1.00 0.90 C ATOM 110 O ILE A 8 7.352 4.180 7.625 1.00 0.92 O ATOM 111 CB ILE A 8 7.680 2.772 10.608 1.00 1.36 C ATOM 112 CG1 ILE A 8 7.005 1.725 11.529 1.00 1.62 C ATOM 113 CG2 ILE A 8 7.025 4.150 10.807 1.00 1.53 C ATOM 114 CD1 ILE A 8 5.520 1.435 11.250 1.00 1.82 C ATOM 0 H ILE A 8 9.104 0.920 9.780 1.00 0.88 H new ATOM 0 HA ILE A 8 6.666 2.114 8.824 1.00 1.06 H new ATOM 0 HB ILE A 8 8.728 2.857 10.895 1.00 1.36 H new ATOM 0 HG12 ILE A 8 7.558 0.789 11.448 1.00 1.62 H new ATOM 0 HG13 ILE A 8 7.100 2.063 12.561 1.00 1.62 H new ATOM 0 HG21 ILE A 8 7.045 4.413 11.865 1.00 1.53 H new ATOM 0 HG22 ILE A 8 7.574 4.899 10.237 1.00 1.53 H new ATOM 0 HG23 ILE A 8 5.992 4.115 10.461 1.00 1.53 H new ATOM 0 HD11 ILE A 8 5.156 0.688 11.956 1.00 1.82 H new ATOM 0 HD12 ILE A 8 4.943 2.353 11.363 1.00 1.82 H new ATOM 0 HD13 ILE A 8 5.408 1.059 10.233 1.00 1.82 H new ATOM 126 N SER A 9 9.477 3.536 7.918 1.00 0.86 N ATOM 127 CA SER A 9 10.073 4.569 7.058 1.00 0.94 C ATOM 128 C SER A 9 9.751 4.381 5.571 1.00 0.90 C ATOM 129 O SER A 9 9.664 5.371 4.845 1.00 1.06 O ATOM 130 CB SER A 9 11.590 4.605 7.255 1.00 1.19 C ATOM 131 OG SER A 9 11.904 4.922 8.600 1.00 1.44 O ATOM 0 H SER A 9 10.165 2.892 8.308 1.00 0.86 H new ATOM 0 HA SER A 9 9.628 5.517 7.361 1.00 0.94 H new ATOM 0 HB2 SER A 9 12.021 3.639 6.992 1.00 1.19 H new ATOM 0 HB3 SER A 9 12.033 5.344 6.587 1.00 1.19 H new ATOM 0 HG SER A 9 11.761 4.133 9.164 1.00 1.44 H new ATOM 137 N LEU A 10 9.510 3.143 5.109 1.00 0.88 N ATOM 138 CA LEU A 10 9.045 2.886 3.736 1.00 1.15 C ATOM 139 C LEU A 10 7.628 3.428 3.464 1.00 1.19 C ATOM 140 O LEU A 10 7.307 3.691 2.303 1.00 1.48 O ATOM 141 CB LEU A 10 9.074 1.379 3.400 1.00 1.34 C ATOM 142 CG LEU A 10 10.422 0.830 2.899 1.00 1.57 C ATOM 143 CD1 LEU A 10 11.387 0.549 4.044 1.00 2.28 C ATOM 144 CD2 LEU A 10 10.200 -0.492 2.164 1.00 1.41 C ATOM 0 H LEU A 10 9.630 2.300 5.670 1.00 0.88 H new ATOM 0 HA LEU A 10 9.743 3.423 3.093 1.00 1.15 H new ATOM 0 HB2 LEU A 10 8.785 0.822 4.291 1.00 1.34 H new ATOM 0 HB3 LEU A 10 8.318 1.181 2.641 1.00 1.34 H new ATOM 0 HG LEU A 10 10.848 1.590 2.244 1.00 1.57 H new ATOM 0 HD11 LEU A 10 12.324 0.163 3.643 1.00 2.28 H new ATOM 0 HD12 LEU A 10 11.579 1.471 4.593 1.00 2.28 H new ATOM 0 HD13 LEU A 10 10.949 -0.189 4.716 1.00 2.28 H new ATOM 0 HD21 LEU A 10 11.157 -0.877 1.811 1.00 1.41 H new ATOM 0 HD22 LEU A 10 9.746 -1.214 2.843 1.00 1.41 H new ATOM 0 HD23 LEU A 10 9.538 -0.329 1.313 1.00 1.41 H new ATOM 156 N GLN A 11 6.773 3.575 4.487 1.00 1.03 N ATOM 157 CA GLN A 11 5.366 3.951 4.298 1.00 1.14 C ATOM 158 C GLN A 11 5.217 5.333 3.641 1.00 1.13 C ATOM 159 O GLN A 11 5.834 6.316 4.070 1.00 1.17 O ATOM 160 CB GLN A 11 4.576 3.866 5.606 1.00 1.22 C ATOM 161 CG GLN A 11 4.388 2.416 6.072 1.00 1.24 C ATOM 162 CD GLN A 11 3.275 2.341 7.103 1.00 1.54 C ATOM 163 OE1 GLN A 11 2.149 1.961 6.815 1.00 2.59 O ATOM 164 NE2 GLN A 11 3.496 2.768 8.321 1.00 1.78 N ATOM 0 H GLN A 11 7.036 3.437 5.463 1.00 1.03 H new ATOM 0 HA GLN A 11 4.938 3.223 3.609 1.00 1.14 H new ATOM 0 HB2 GLN A 11 5.095 4.431 6.380 1.00 1.22 H new ATOM 0 HB3 GLN A 11 3.600 4.333 5.471 1.00 1.22 H new ATOM 0 HG2 GLN A 11 4.149 1.780 5.220 1.00 1.24 H new ATOM 0 HG3 GLN A 11 5.317 2.040 6.500 1.00 1.24 H new ATOM 0 HE21 GLN A 11 4.426 3.091 8.587 1.00 1.78 H new ATOM 0 HE22 GLN A 11 2.738 2.778 9.003 1.00 1.78 H new ATOM 173 N ALA A 12 4.377 5.391 2.602 1.00 1.29 N ATOM 174 CA ALA A 12 4.255 6.536 1.701 1.00 1.34 C ATOM 175 C ALA A 12 3.715 7.810 2.378 1.00 1.39 C ATOM 176 O ALA A 12 3.065 7.755 3.427 1.00 1.82 O ATOM 177 CB ALA A 12 3.386 6.120 0.507 1.00 1.46 C ATOM 0 H ALA A 12 3.750 4.624 2.361 1.00 1.29 H new ATOM 0 HA ALA A 12 5.256 6.809 1.368 1.00 1.34 H new ATOM 0 HB1 ALA A 12 3.282 6.961 -0.178 1.00 1.46 H new ATOM 0 HB2 ALA A 12 3.857 5.285 -0.012 1.00 1.46 H new ATOM 0 HB3 ALA A 12 2.401 5.818 0.862 1.00 1.46 H new ATOM 183 N THR A 13 3.978 8.958 1.749 1.00 1.73 N ATOM 184 CA THR A 13 3.590 10.292 2.240 1.00 1.90 C ATOM 185 C THR A 13 2.176 10.686 1.800 1.00 1.64 C ATOM 186 O THR A 13 1.492 11.421 2.511 1.00 1.63 O ATOM 187 CB THR A 13 4.611 11.328 1.725 1.00 2.42 C ATOM 188 OG1 THR A 13 5.921 10.959 2.104 1.00 2.46 O ATOM 189 CG2 THR A 13 4.429 12.750 2.250 1.00 3.11 C ATOM 0 H THR A 13 4.479 8.992 0.861 1.00 1.73 H new ATOM 0 HA THR A 13 3.587 10.266 3.330 1.00 1.90 H new ATOM 0 HB THR A 13 4.444 11.329 0.648 1.00 2.42 H new ATOM 0 HG1 THR A 13 6.558 11.624 1.769 1.00 2.46 H new ATOM 0 HG21 THR A 13 5.198 13.396 1.826 1.00 3.11 H new ATOM 0 HG22 THR A 13 3.445 13.121 1.963 1.00 3.11 H new ATOM 0 HG23 THR A 13 4.514 12.750 3.337 1.00 3.11 H new ATOM 197 N GLU A 14 1.718 10.207 0.638 1.00 1.50 N ATOM 198 CA GLU A 14 0.495 10.689 -0.021 1.00 1.39 C ATOM 199 C GLU A 14 -0.362 9.610 -0.712 1.00 1.21 C ATOM 200 O GLU A 14 0.109 8.515 -1.042 1.00 1.23 O ATOM 201 CB GLU A 14 0.885 11.796 -1.014 1.00 1.63 C ATOM 202 CG GLU A 14 1.897 11.356 -2.079 1.00 1.73 C ATOM 203 CD GLU A 14 2.085 12.433 -3.149 1.00 2.66 C ATOM 204 OE1 GLU A 14 2.588 13.540 -2.836 1.00 2.91 O ATOM 205 OE2 GLU A 14 1.775 12.159 -4.334 1.00 4.08 O ATOM 0 H GLU A 14 2.190 9.465 0.121 1.00 1.50 H new ATOM 0 HA GLU A 14 -0.153 11.066 0.770 1.00 1.39 H new ATOM 0 HB2 GLU A 14 -0.015 12.156 -1.511 1.00 1.63 H new ATOM 0 HB3 GLU A 14 1.301 12.637 -0.459 1.00 1.63 H new ATOM 0 HG2 GLU A 14 2.855 11.140 -1.606 1.00 1.73 H new ATOM 0 HG3 GLU A 14 1.557 10.432 -2.546 1.00 1.73 H new ATOM 212 N ALA A 15 -1.630 9.957 -0.956 1.00 1.08 N ATOM 213 CA ALA A 15 -2.636 9.163 -1.660 1.00 0.95 C ATOM 214 C ALA A 15 -3.532 10.038 -2.569 1.00 0.88 C ATOM 215 O ALA A 15 -3.610 11.257 -2.400 1.00 1.00 O ATOM 216 CB ALA A 15 -3.475 8.427 -0.606 1.00 0.82 C ATOM 0 H ALA A 15 -2.002 10.855 -0.647 1.00 1.08 H new ATOM 0 HA ALA A 15 -2.140 8.450 -2.318 1.00 0.95 H new ATOM 0 HB1 ALA A 15 -4.236 7.825 -1.102 1.00 0.82 H new ATOM 0 HB2 ALA A 15 -2.829 7.779 -0.014 1.00 0.82 H new ATOM 0 HB3 ALA A 15 -3.957 9.154 0.048 1.00 0.82 H new ATOM 222 N THR A 16 -4.234 9.403 -3.513 1.00 0.80 N ATOM 223 CA THR A 16 -5.219 10.040 -4.413 1.00 0.74 C ATOM 224 C THR A 16 -6.613 9.404 -4.293 1.00 0.64 C ATOM 225 O THR A 16 -6.830 8.313 -4.818 1.00 0.74 O ATOM 226 CB THR A 16 -4.740 10.006 -5.872 1.00 0.89 C ATOM 227 OG1 THR A 16 -3.449 10.572 -5.974 1.00 1.05 O ATOM 228 CG2 THR A 16 -5.652 10.807 -6.802 1.00 0.88 C ATOM 0 H THR A 16 -4.135 8.402 -3.682 1.00 0.80 H new ATOM 0 HA THR A 16 -5.304 11.080 -4.097 1.00 0.74 H new ATOM 0 HB THR A 16 -4.746 8.958 -6.171 1.00 0.89 H new ATOM 0 HG1 THR A 16 -3.152 10.544 -6.908 1.00 1.05 H new ATOM 0 HG21 THR A 16 -5.271 10.752 -7.822 1.00 0.88 H new ATOM 0 HG22 THR A 16 -6.660 10.393 -6.769 1.00 0.88 H new ATOM 0 HG23 THR A 16 -5.676 11.848 -6.480 1.00 0.88 H new ATOM 236 N ILE A 17 -7.561 10.076 -3.625 1.00 0.52 N ATOM 237 CA ILE A 17 -8.933 9.582 -3.366 1.00 0.47 C ATOM 238 C ILE A 17 -9.841 9.854 -4.577 1.00 0.57 C ATOM 239 O ILE A 17 -9.845 10.977 -5.087 1.00 0.67 O ATOM 240 CB ILE A 17 -9.541 10.206 -2.077 1.00 0.45 C ATOM 241 CG1 ILE A 17 -8.592 10.104 -0.856 1.00 0.47 C ATOM 242 CG2 ILE A 17 -10.904 9.548 -1.775 1.00 0.55 C ATOM 243 CD1 ILE A 17 -9.137 10.706 0.448 1.00 0.56 C ATOM 0 H ILE A 17 -7.396 11.005 -3.237 1.00 0.52 H new ATOM 0 HA ILE A 17 -8.868 8.505 -3.208 1.00 0.47 H new ATOM 0 HB ILE A 17 -9.684 11.271 -2.262 1.00 0.45 H new ATOM 0 HG12 ILE A 17 -8.360 9.053 -0.683 1.00 0.47 H new ATOM 0 HG13 ILE A 17 -7.654 10.601 -1.103 1.00 0.47 H new ATOM 0 HG21 ILE A 17 -11.328 9.987 -0.872 1.00 0.55 H new ATOM 0 HG22 ILE A 17 -11.582 9.715 -2.612 1.00 0.55 H new ATOM 0 HG23 ILE A 17 -10.766 8.477 -1.628 1.00 0.55 H new ATOM 0 HD11 ILE A 17 -8.399 10.584 1.241 1.00 0.56 H new ATOM 0 HD12 ILE A 17 -9.341 11.767 0.302 1.00 0.56 H new ATOM 0 HD13 ILE A 17 -10.058 10.195 0.728 1.00 0.56 H new ATOM 255 N VAL A 18 -10.635 8.874 -5.030 1.00 0.60 N ATOM 256 CA VAL A 18 -11.429 8.991 -6.274 1.00 0.67 C ATOM 257 C VAL A 18 -12.931 8.706 -6.125 1.00 0.95 C ATOM 258 O VAL A 18 -13.351 7.822 -5.374 1.00 0.99 O ATOM 259 CB VAL A 18 -10.819 8.159 -7.419 1.00 0.71 C ATOM 260 CG1 VAL A 18 -9.383 8.600 -7.730 1.00 2.03 C ATOM 261 CG2 VAL A 18 -10.798 6.651 -7.151 1.00 2.00 C ATOM 0 H VAL A 18 -10.749 7.980 -4.552 1.00 0.60 H new ATOM 0 HA VAL A 18 -11.369 10.049 -6.530 1.00 0.67 H new ATOM 0 HB VAL A 18 -11.477 8.346 -8.268 1.00 0.71 H new ATOM 0 HG11 VAL A 18 -8.984 7.992 -8.542 1.00 2.03 H new ATOM 0 HG12 VAL A 18 -9.381 9.649 -8.027 1.00 2.03 H new ATOM 0 HG13 VAL A 18 -8.763 8.472 -6.843 1.00 2.03 H new ATOM 0 HG21 VAL A 18 -10.354 6.136 -8.003 1.00 2.00 H new ATOM 0 HG22 VAL A 18 -10.208 6.448 -6.257 1.00 2.00 H new ATOM 0 HG23 VAL A 18 -11.817 6.294 -7.002 1.00 2.00 H new ATOM 271 N THR A 19 -13.742 9.445 -6.892 1.00 1.33 N ATOM 272 CA THR A 19 -15.219 9.355 -6.918 1.00 1.82 C ATOM 273 C THR A 19 -15.764 9.498 -8.344 1.00 1.99 C ATOM 274 O THR A 19 -15.354 10.400 -9.076 1.00 1.73 O ATOM 275 CB THR A 19 -15.845 10.451 -6.032 1.00 2.12 C ATOM 276 OG1 THR A 19 -15.341 10.373 -4.716 1.00 2.19 O ATOM 277 CG2 THR A 19 -17.364 10.338 -5.907 1.00 2.73 C ATOM 0 H THR A 19 -13.382 10.149 -7.537 1.00 1.33 H new ATOM 0 HA THR A 19 -15.488 8.371 -6.534 1.00 1.82 H new ATOM 0 HB THR A 19 -15.587 11.389 -6.523 1.00 2.12 H new ATOM 0 HG1 THR A 19 -15.747 11.076 -4.168 1.00 2.19 H new ATOM 0 HG21 THR A 19 -17.737 11.140 -5.270 1.00 2.73 H new ATOM 0 HG22 THR A 19 -17.817 10.418 -6.895 1.00 2.73 H new ATOM 0 HG23 THR A 19 -17.622 9.375 -5.466 1.00 2.73 H new ATOM 391 N LEU A 27 -15.684 11.375 -13.462 1.00 1.93 N ATOM 392 CA LEU A 27 -14.746 10.922 -12.426 1.00 1.63 C ATOM 393 C LEU A 27 -13.874 12.076 -11.879 1.00 1.52 C ATOM 394 O LEU A 27 -13.375 12.920 -12.620 1.00 1.72 O ATOM 395 CB LEU A 27 -13.969 9.698 -12.957 1.00 1.81 C ATOM 396 CG LEU A 27 -13.424 8.726 -11.894 1.00 1.95 C ATOM 397 CD1 LEU A 27 -13.187 7.373 -12.565 1.00 2.87 C ATOM 398 CD2 LEU A 27 -12.099 9.168 -11.274 1.00 2.93 C ATOM 0 HA LEU A 27 -15.291 10.589 -11.542 1.00 1.63 H new ATOM 0 HB2 LEU A 27 -14.624 9.141 -13.627 1.00 1.81 H new ATOM 0 HB3 LEU A 27 -13.131 10.057 -13.555 1.00 1.81 H new ATOM 0 HG LEU A 27 -14.163 8.687 -11.094 1.00 1.95 H new ATOM 0 HD11 LEU A 27 -12.800 6.666 -11.831 1.00 2.87 H new ATOM 0 HD12 LEU A 27 -14.127 6.998 -12.970 1.00 2.87 H new ATOM 0 HD13 LEU A 27 -12.465 7.489 -13.373 1.00 2.87 H new ATOM 0 HD21 LEU A 27 -11.780 8.433 -10.535 1.00 2.93 H new ATOM 0 HD22 LEU A 27 -11.342 9.251 -12.054 1.00 2.93 H new ATOM 0 HD23 LEU A 27 -12.229 10.136 -10.790 1.00 2.93 H new ATOM 410 N SER A 28 -13.721 12.131 -10.560 1.00 1.39 N ATOM 411 CA SER A 28 -13.053 13.212 -9.820 1.00 1.34 C ATOM 412 C SER A 28 -11.959 12.650 -8.910 1.00 1.29 C ATOM 413 O SER A 28 -12.130 11.565 -8.348 1.00 1.61 O ATOM 414 CB SER A 28 -14.111 13.965 -9.010 1.00 1.46 C ATOM 415 OG SER A 28 -13.576 15.113 -8.382 1.00 1.48 O ATOM 0 H SER A 28 -14.071 11.396 -9.946 1.00 1.39 H new ATOM 0 HA SER A 28 -12.570 13.897 -10.517 1.00 1.34 H new ATOM 0 HB2 SER A 28 -14.930 14.259 -9.667 1.00 1.46 H new ATOM 0 HB3 SER A 28 -14.531 13.301 -8.255 1.00 1.46 H new ATOM 0 HG SER A 28 -14.281 15.568 -7.876 1.00 1.48 H new ATOM 421 N GLU A 29 -10.837 13.363 -8.755 1.00 1.02 N ATOM 422 CA GLU A 29 -9.663 12.916 -7.986 1.00 0.93 C ATOM 423 C GLU A 29 -9.239 13.986 -6.961 1.00 0.91 C ATOM 424 O GLU A 29 -9.091 15.156 -7.326 1.00 1.04 O ATOM 425 CB GLU A 29 -8.464 12.669 -8.921 1.00 0.99 C ATOM 426 CG GLU A 29 -8.709 11.733 -10.112 1.00 1.11 C ATOM 427 CD GLU A 29 -7.424 11.460 -10.916 1.00 1.73 C ATOM 428 OE1 GLU A 29 -6.496 12.306 -10.970 1.00 2.50 O ATOM 429 OE2 GLU A 29 -7.308 10.377 -11.538 1.00 2.78 O ATOM 0 H GLU A 29 -10.715 14.287 -9.169 1.00 1.02 H new ATOM 0 HA GLU A 29 -9.945 11.995 -7.476 1.00 0.93 H new ATOM 0 HB2 GLU A 29 -8.127 13.631 -9.306 1.00 0.99 H new ATOM 0 HB3 GLU A 29 -7.646 12.260 -8.327 1.00 0.99 H new ATOM 0 HG2 GLU A 29 -9.116 10.789 -9.751 1.00 1.11 H new ATOM 0 HG3 GLU A 29 -9.459 12.173 -10.769 1.00 1.11 H new ATOM 436 N GLU A 30 -8.990 13.611 -5.705 1.00 0.81 N ATOM 437 CA GLU A 30 -8.389 14.474 -4.672 1.00 0.84 C ATOM 438 C GLU A 30 -6.957 14.017 -4.360 1.00 0.91 C ATOM 439 O GLU A 30 -6.756 12.832 -4.106 1.00 0.85 O ATOM 440 CB GLU A 30 -9.194 14.438 -3.358 1.00 0.80 C ATOM 441 CG GLU A 30 -10.701 14.706 -3.453 1.00 0.86 C ATOM 442 CD GLU A 30 -11.093 16.134 -3.852 1.00 1.77 C ATOM 443 OE1 GLU A 30 -10.230 17.039 -3.967 1.00 2.80 O ATOM 444 OE2 GLU A 30 -12.310 16.379 -4.055 1.00 2.63 O ATOM 0 H GLU A 30 -9.205 12.674 -5.363 1.00 0.81 H new ATOM 0 HA GLU A 30 -8.392 15.489 -5.069 1.00 0.84 H new ATOM 0 HB2 GLU A 30 -9.053 13.458 -2.902 1.00 0.80 H new ATOM 0 HB3 GLU A 30 -8.762 15.172 -2.677 1.00 0.80 H new ATOM 0 HG2 GLU A 30 -11.131 14.014 -4.177 1.00 0.86 H new ATOM 0 HG3 GLU A 30 -11.154 14.479 -2.488 1.00 0.86 H new ATOM 451 N GLN A 31 -5.971 14.921 -4.298 1.00 1.11 N ATOM 452 CA GLN A 31 -4.593 14.591 -3.898 1.00 1.29 C ATOM 453 C GLN A 31 -4.336 15.008 -2.444 1.00 1.35 C ATOM 454 O GLN A 31 -4.356 16.201 -2.117 1.00 1.50 O ATOM 455 CB GLN A 31 -3.594 15.235 -4.866 1.00 1.55 C ATOM 456 CG GLN A 31 -3.516 14.432 -6.180 1.00 1.67 C ATOM 457 CD GLN A 31 -2.113 14.428 -6.766 1.00 1.91 C ATOM 458 OE1 GLN A 31 -1.875 14.827 -7.903 1.00 2.69 O ATOM 459 NE2 GLN A 31 -1.145 13.943 -6.025 1.00 1.66 N ATOM 0 H GLN A 31 -6.105 15.906 -4.524 1.00 1.11 H new ATOM 0 HA GLN A 31 -4.455 13.511 -3.950 1.00 1.29 H new ATOM 0 HB2 GLN A 31 -3.895 16.261 -5.078 1.00 1.55 H new ATOM 0 HB3 GLN A 31 -2.608 15.281 -4.403 1.00 1.55 H new ATOM 0 HG2 GLN A 31 -3.835 13.406 -5.997 1.00 1.67 H new ATOM 0 HG3 GLN A 31 -4.210 14.856 -6.905 1.00 1.67 H new ATOM 0 HE21 GLN A 31 -1.343 13.612 -5.081 1.00 1.66 H new ATOM 0 HE22 GLN A 31 -0.195 13.897 -6.393 1.00 1.66 H new ATOM 468 N VAL A 32 -4.096 14.019 -1.577 1.00 1.31 N ATOM 469 CA VAL A 32 -4.057 14.164 -0.114 1.00 1.36 C ATOM 470 C VAL A 32 -2.814 13.527 0.535 1.00 1.46 C ATOM 471 O VAL A 32 -2.212 12.603 -0.012 1.00 1.42 O ATOM 472 CB VAL A 32 -5.347 13.578 0.508 1.00 1.29 C ATOM 473 CG1 VAL A 32 -6.634 14.092 -0.153 1.00 1.27 C ATOM 474 CG2 VAL A 32 -5.412 12.044 0.502 1.00 1.15 C ATOM 0 H VAL A 32 -3.917 13.062 -1.882 1.00 1.31 H new ATOM 0 HA VAL A 32 -3.993 15.233 0.092 1.00 1.36 H new ATOM 0 HB VAL A 32 -5.289 13.930 1.538 1.00 1.29 H new ATOM 0 HG11 VAL A 32 -7.498 13.640 0.333 1.00 1.27 H new ATOM 0 HG12 VAL A 32 -6.687 15.176 -0.052 1.00 1.27 H new ATOM 0 HG13 VAL A 32 -6.632 13.826 -1.210 1.00 1.27 H new ATOM 0 HG21 VAL A 32 -6.348 11.718 0.956 1.00 1.15 H new ATOM 0 HG22 VAL A 32 -5.361 11.682 -0.525 1.00 1.15 H new ATOM 0 HG23 VAL A 32 -4.574 11.642 1.071 1.00 1.15 H new ATOM 484 N ASP A 33 -2.484 13.969 1.752 1.00 1.62 N ATOM 485 CA ASP A 33 -1.473 13.341 2.621 1.00 1.70 C ATOM 486 C ASP A 33 -2.030 12.060 3.284 1.00 1.54 C ATOM 487 O ASP A 33 -3.238 11.931 3.488 1.00 1.50 O ATOM 488 CB ASP A 33 -1.015 14.351 3.689 1.00 1.91 C ATOM 489 CG ASP A 33 0.400 14.090 4.217 1.00 2.46 C ATOM 490 OD1 ASP A 33 0.574 13.249 5.128 1.00 2.86 O ATOM 491 OD2 ASP A 33 1.342 14.800 3.785 1.00 3.61 O ATOM 0 H ASP A 33 -2.919 14.790 2.173 1.00 1.62 H new ATOM 0 HA ASP A 33 -0.617 13.051 2.012 1.00 1.70 H new ATOM 0 HB2 ASP A 33 -1.057 15.356 3.268 1.00 1.91 H new ATOM 0 HB3 ASP A 33 -1.715 14.326 4.524 1.00 1.91 H new ATOM 496 N VAL A 34 -1.159 11.116 3.656 1.00 1.46 N ATOM 497 CA VAL A 34 -1.546 9.811 4.243 1.00 1.31 C ATOM 498 C VAL A 34 -2.387 9.923 5.529 1.00 1.38 C ATOM 499 O VAL A 34 -3.164 9.024 5.850 1.00 1.32 O ATOM 500 CB VAL A 34 -0.302 8.918 4.439 1.00 1.22 C ATOM 501 CG1 VAL A 34 0.677 9.480 5.477 1.00 1.45 C ATOM 502 CG2 VAL A 34 -0.668 7.478 4.829 1.00 1.09 C ATOM 0 H VAL A 34 -0.150 11.230 3.560 1.00 1.46 H new ATOM 0 HA VAL A 34 -2.210 9.334 3.522 1.00 1.31 H new ATOM 0 HB VAL A 34 0.189 8.909 3.466 1.00 1.22 H new ATOM 0 HG11 VAL A 34 1.531 8.810 5.572 1.00 1.45 H new ATOM 0 HG12 VAL A 34 1.021 10.464 5.157 1.00 1.45 H new ATOM 0 HG13 VAL A 34 0.175 9.567 6.441 1.00 1.45 H new ATOM 0 HG21 VAL A 34 0.243 6.892 4.955 1.00 1.09 H new ATOM 0 HG22 VAL A 34 -1.227 7.485 5.765 1.00 1.09 H new ATOM 0 HG23 VAL A 34 -1.280 7.033 4.045 1.00 1.09 H new ATOM 512 N GLU A 35 -2.327 11.052 6.239 1.00 1.57 N ATOM 513 CA GLU A 35 -3.161 11.315 7.425 1.00 1.71 C ATOM 514 C GLU A 35 -4.644 11.610 7.087 1.00 1.67 C ATOM 515 O GLU A 35 -5.516 11.551 7.964 1.00 1.79 O ATOM 516 CB GLU A 35 -2.489 12.444 8.221 1.00 1.98 C ATOM 517 CG GLU A 35 -2.916 12.486 9.691 1.00 2.11 C ATOM 518 CD GLU A 35 -2.469 11.245 10.467 1.00 2.28 C ATOM 519 OE1 GLU A 35 -1.314 11.173 10.951 1.00 3.00 O ATOM 520 OE2 GLU A 35 -3.287 10.310 10.634 1.00 3.33 O ATOM 0 H GLU A 35 -1.695 11.819 6.009 1.00 1.57 H new ATOM 0 HA GLU A 35 -3.217 10.413 8.035 1.00 1.71 H new ATOM 0 HB2 GLU A 35 -1.407 12.323 8.167 1.00 1.98 H new ATOM 0 HB3 GLU A 35 -2.726 13.400 7.754 1.00 1.98 H new ATOM 0 HG2 GLU A 35 -2.498 13.375 10.162 1.00 2.11 H new ATOM 0 HG3 GLU A 35 -4.001 12.575 9.748 1.00 2.11 H new ATOM 527 N LEU A 36 -4.958 11.905 5.819 1.00 1.57 N ATOM 528 CA LEU A 36 -6.269 12.380 5.352 1.00 1.57 C ATOM 529 C LEU A 36 -7.156 11.286 4.719 1.00 1.29 C ATOM 530 O LEU A 36 -8.295 11.563 4.335 1.00 1.40 O ATOM 531 CB LEU A 36 -6.039 13.557 4.382 1.00 1.75 C ATOM 532 CG LEU A 36 -5.177 14.725 4.908 1.00 2.00 C ATOM 533 CD1 LEU A 36 -5.083 15.838 3.866 1.00 2.16 C ATOM 534 CD2 LEU A 36 -5.745 15.347 6.180 1.00 2.17 C ATOM 0 H LEU A 36 -4.281 11.816 5.061 1.00 1.57 H new ATOM 0 HA LEU A 36 -6.834 12.705 6.226 1.00 1.57 H new ATOM 0 HB2 LEU A 36 -5.571 13.168 3.478 1.00 1.75 H new ATOM 0 HB3 LEU A 36 -7.011 13.955 4.091 1.00 1.75 H new ATOM 0 HG LEU A 36 -4.198 14.297 5.121 1.00 2.00 H new ATOM 0 HD11 LEU A 36 -4.471 16.651 4.257 1.00 2.16 H new ATOM 0 HD12 LEU A 36 -4.628 15.447 2.956 1.00 2.16 H new ATOM 0 HD13 LEU A 36 -6.082 16.211 3.641 1.00 2.16 H new ATOM 0 HD21 LEU A 36 -5.100 16.163 6.506 1.00 2.17 H new ATOM 0 HD22 LEU A 36 -6.745 15.733 5.981 1.00 2.17 H new ATOM 0 HD23 LEU A 36 -5.797 14.591 6.963 1.00 2.17 H new ATOM 546 N VAL A 37 -6.668 10.046 4.630 1.00 0.97 N ATOM 547 CA VAL A 37 -7.420 8.856 4.178 1.00 0.79 C ATOM 548 C VAL A 37 -7.938 8.033 5.372 1.00 0.94 C ATOM 549 O VAL A 37 -7.287 7.989 6.423 1.00 1.59 O ATOM 550 CB VAL A 37 -6.584 8.039 3.162 1.00 0.73 C ATOM 551 CG1 VAL A 37 -5.186 7.663 3.666 1.00 0.87 C ATOM 552 CG2 VAL A 37 -7.280 6.757 2.699 1.00 0.84 C ATOM 0 H VAL A 37 -5.703 9.827 4.878 1.00 0.97 H new ATOM 0 HA VAL A 37 -8.314 9.179 3.644 1.00 0.79 H new ATOM 0 HB VAL A 37 -6.482 8.724 2.320 1.00 0.73 H new ATOM 0 HG11 VAL A 37 -4.664 7.093 2.898 1.00 0.87 H new ATOM 0 HG12 VAL A 37 -4.624 8.570 3.890 1.00 0.87 H new ATOM 0 HG13 VAL A 37 -5.275 7.059 4.569 1.00 0.87 H new ATOM 0 HG21 VAL A 37 -6.641 6.232 1.989 1.00 0.84 H new ATOM 0 HG22 VAL A 37 -7.470 6.115 3.559 1.00 0.84 H new ATOM 0 HG23 VAL A 37 -8.225 7.009 2.219 1.00 0.84 H new ATOM 562 N GLN A 38 -9.113 7.407 5.224 1.00 0.75 N ATOM 563 CA GLN A 38 -9.730 6.484 6.198 1.00 0.80 C ATOM 564 C GLN A 38 -9.972 5.079 5.615 1.00 0.77 C ATOM 565 O GLN A 38 -9.976 4.891 4.396 1.00 0.75 O ATOM 566 CB GLN A 38 -11.030 7.092 6.765 1.00 0.91 C ATOM 567 CG GLN A 38 -12.172 7.274 5.750 1.00 2.01 C ATOM 568 CD GLN A 38 -13.475 7.620 6.437 1.00 2.13 C ATOM 569 OE1 GLN A 38 -14.405 6.827 6.523 1.00 3.36 O ATOM 570 NE2 GLN A 38 -13.594 8.795 6.995 1.00 1.81 N ATOM 0 H GLN A 38 -9.687 7.532 4.390 1.00 0.75 H new ATOM 0 HA GLN A 38 -9.021 6.354 7.015 1.00 0.80 H new ATOM 0 HB2 GLN A 38 -11.385 6.456 7.575 1.00 0.91 H new ATOM 0 HB3 GLN A 38 -10.797 8.063 7.201 1.00 0.91 H new ATOM 0 HG2 GLN A 38 -11.911 8.063 5.045 1.00 2.01 H new ATOM 0 HG3 GLN A 38 -12.296 6.358 5.172 1.00 2.01 H new ATOM 0 HE21 GLN A 38 -12.830 9.468 6.934 1.00 1.81 H new ATOM 0 HE22 GLN A 38 -14.451 9.039 7.492 1.00 1.81 H new ATOM 579 N ARG A 39 -10.250 4.089 6.479 1.00 0.85 N ATOM 580 CA ARG A 39 -10.471 2.658 6.143 1.00 0.98 C ATOM 581 C ARG A 39 -11.763 2.332 5.356 1.00 1.04 C ATOM 582 O ARG A 39 -12.290 1.220 5.451 1.00 1.77 O ATOM 583 CB ARG A 39 -10.323 1.819 7.429 1.00 1.17 C ATOM 584 CG ARG A 39 -11.538 1.932 8.360 1.00 1.19 C ATOM 585 CD ARG A 39 -11.178 1.558 9.802 1.00 1.56 C ATOM 586 NE ARG A 39 -12.284 1.851 10.730 1.00 1.77 N ATOM 587 CZ ARG A 39 -13.419 1.189 10.852 1.00 1.98 C ATOM 588 NH1 ARG A 39 -13.702 0.122 10.164 1.00 2.70 N ATOM 589 NH2 ARG A 39 -14.317 1.600 11.692 1.00 2.23 N ATOM 0 H ARG A 39 -10.332 4.265 7.480 1.00 0.85 H new ATOM 0 HA ARG A 39 -9.700 2.386 5.423 1.00 0.98 H new ATOM 0 HB2 ARG A 39 -10.174 0.773 7.159 1.00 1.17 H new ATOM 0 HB3 ARG A 39 -9.430 2.140 7.965 1.00 1.17 H new ATOM 0 HG2 ARG A 39 -11.925 2.951 8.333 1.00 1.19 H new ATOM 0 HG3 ARG A 39 -12.334 1.279 8.002 1.00 1.19 H new ATOM 0 HD2 ARG A 39 -10.931 0.498 9.853 1.00 1.56 H new ATOM 0 HD3 ARG A 39 -10.289 2.108 10.110 1.00 1.56 H new ATOM 0 HE ARG A 39 -12.159 2.654 11.346 1.00 1.77 H new ATOM 0 HH11 ARG A 39 -13.030 -0.243 9.489 1.00 2.70 H new ATOM 0 HH12 ARG A 39 -14.596 -0.350 10.300 1.00 2.70 H new ATOM 0 HH21 ARG A 39 -14.145 2.432 12.256 1.00 2.23 H new ATOM 0 HH22 ARG A 39 -15.196 1.091 11.789 1.00 2.23 H new ATOM 603 N GLY A 40 -12.277 3.301 4.600 1.00 1.10 N ATOM 604 CA GLY A 40 -13.464 3.205 3.745 1.00 1.05 C ATOM 605 C GLY A 40 -13.368 4.020 2.445 1.00 0.97 C ATOM 606 O GLY A 40 -14.402 4.278 1.828 1.00 1.06 O ATOM 0 H GLY A 40 -11.853 4.228 4.564 1.00 1.10 H new ATOM 0 HA2 GLY A 40 -13.634 2.158 3.493 1.00 1.05 H new ATOM 0 HA3 GLY A 40 -14.333 3.542 4.309 1.00 1.05 H new ATOM 610 N ASP A 41 -12.174 4.483 2.051 1.00 0.94 N ATOM 611 CA ASP A 41 -11.925 5.223 0.799 1.00 0.90 C ATOM 612 C ASP A 41 -11.382 4.320 -0.335 1.00 0.68 C ATOM 613 O ASP A 41 -10.861 3.228 -0.081 1.00 0.66 O ATOM 614 CB ASP A 41 -10.940 6.376 1.076 1.00 1.06 C ATOM 615 CG ASP A 41 -11.480 7.485 1.989 1.00 1.52 C ATOM 616 OD1 ASP A 41 -12.682 7.841 1.876 1.00 1.82 O ATOM 617 OD2 ASP A 41 -10.692 8.042 2.790 1.00 2.61 O ATOM 0 H ASP A 41 -11.329 4.351 2.607 1.00 0.94 H new ATOM 0 HA ASP A 41 -12.882 5.616 0.454 1.00 0.90 H new ATOM 0 HB2 ASP A 41 -10.038 5.963 1.526 1.00 1.06 H new ATOM 0 HB3 ASP A 41 -10.647 6.820 0.125 1.00 1.06 H new ATOM 622 N ILE A 42 -11.454 4.788 -1.589 1.00 0.61 N ATOM 623 CA ILE A 42 -10.878 4.129 -2.780 1.00 0.54 C ATOM 624 C ILE A 42 -9.825 5.042 -3.425 1.00 0.40 C ATOM 625 O ILE A 42 -10.079 6.225 -3.665 1.00 0.42 O ATOM 626 CB ILE A 42 -11.985 3.690 -3.771 1.00 0.71 C ATOM 627 CG1 ILE A 42 -12.854 2.585 -3.124 1.00 0.99 C ATOM 628 CG2 ILE A 42 -11.377 3.187 -5.099 1.00 0.70 C ATOM 629 CD1 ILE A 42 -14.071 2.157 -3.954 1.00 1.21 C ATOM 0 H ILE A 42 -11.928 5.662 -1.814 1.00 0.61 H new ATOM 0 HA ILE A 42 -10.372 3.214 -2.473 1.00 0.54 H new ATOM 0 HB ILE A 42 -12.610 4.554 -3.997 1.00 0.71 H new ATOM 0 HG12 ILE A 42 -12.229 1.710 -2.943 1.00 0.99 H new ATOM 0 HG13 ILE A 42 -13.200 2.937 -2.152 1.00 0.99 H new ATOM 0 HG21 ILE A 42 -12.178 2.886 -5.775 1.00 0.70 H new ATOM 0 HG22 ILE A 42 -10.796 3.986 -5.559 1.00 0.70 H new ATOM 0 HG23 ILE A 42 -10.728 2.334 -4.902 1.00 0.70 H new ATOM 0 HD11 ILE A 42 -14.619 1.380 -3.422 1.00 1.21 H new ATOM 0 HD12 ILE A 42 -14.723 3.016 -4.114 1.00 1.21 H new ATOM 0 HD13 ILE A 42 -13.737 1.771 -4.917 1.00 1.21 H new ATOM 641 N ILE A 43 -8.645 4.480 -3.711 1.00 0.36 N ATOM 642 CA ILE A 43 -7.425 5.196 -4.105 1.00 0.39 C ATOM 643 C ILE A 43 -6.903 4.752 -5.485 1.00 0.46 C ATOM 644 O ILE A 43 -6.706 3.555 -5.702 1.00 0.56 O ATOM 645 CB ILE A 43 -6.336 4.941 -3.027 1.00 0.48 C ATOM 646 CG1 ILE A 43 -6.785 5.223 -1.572 1.00 0.58 C ATOM 647 CG2 ILE A 43 -5.041 5.712 -3.329 1.00 0.63 C ATOM 648 CD1 ILE A 43 -7.289 6.646 -1.305 1.00 0.65 C ATOM 0 H ILE A 43 -8.508 3.470 -3.673 1.00 0.36 H new ATOM 0 HA ILE A 43 -7.661 6.257 -4.180 1.00 0.39 H new ATOM 0 HB ILE A 43 -6.148 3.869 -3.089 1.00 0.48 H new ATOM 0 HG12 ILE A 43 -7.576 4.520 -1.311 1.00 0.58 H new ATOM 0 HG13 ILE A 43 -5.947 5.021 -0.905 1.00 0.58 H new ATOM 0 HG21 ILE A 43 -4.305 5.506 -2.551 1.00 0.63 H new ATOM 0 HG22 ILE A 43 -4.646 5.396 -4.295 1.00 0.63 H new ATOM 0 HG23 ILE A 43 -5.252 6.781 -3.355 1.00 0.63 H new ATOM 0 HD11 ILE A 43 -7.578 6.739 -0.258 1.00 0.65 H new ATOM 0 HD12 ILE A 43 -6.496 7.360 -1.527 1.00 0.65 H new ATOM 0 HD13 ILE A 43 -8.151 6.852 -1.939 1.00 0.65 H new ATOM 660 N LYS A 44 -6.593 5.692 -6.395 1.00 0.57 N ATOM 661 CA LYS A 44 -5.884 5.403 -7.664 1.00 0.62 C ATOM 662 C LYS A 44 -4.368 5.594 -7.534 1.00 0.68 C ATOM 663 O LYS A 44 -3.909 6.676 -7.157 1.00 1.01 O ATOM 664 CB LYS A 44 -6.489 6.192 -8.839 1.00 0.94 C ATOM 665 CG LYS A 44 -5.977 5.607 -10.170 1.00 1.68 C ATOM 666 CD LYS A 44 -6.720 6.117 -11.408 1.00 1.91 C ATOM 667 CE LYS A 44 -8.083 5.460 -11.638 1.00 1.72 C ATOM 668 NZ LYS A 44 -8.661 5.858 -12.943 1.00 2.16 N ATOM 0 H LYS A 44 -6.826 6.678 -6.275 1.00 0.57 H new ATOM 0 HA LYS A 44 -6.033 4.347 -7.889 1.00 0.62 H new ATOM 0 HB2 LYS A 44 -7.577 6.142 -8.802 1.00 0.94 H new ATOM 0 HB3 LYS A 44 -6.216 7.244 -8.763 1.00 0.94 H new ATOM 0 HG2 LYS A 44 -4.918 5.842 -10.274 1.00 1.68 H new ATOM 0 HG3 LYS A 44 -6.060 4.521 -10.132 1.00 1.68 H new ATOM 0 HD2 LYS A 44 -6.860 7.194 -11.316 1.00 1.91 H new ATOM 0 HD3 LYS A 44 -6.096 5.950 -12.286 1.00 1.91 H new ATOM 0 HE2 LYS A 44 -7.977 4.376 -11.601 1.00 1.72 H new ATOM 0 HE3 LYS A 44 -8.765 5.742 -10.835 1.00 1.72 H new ATOM 0 HZ1 LYS A 44 -9.584 5.396 -13.069 1.00 2.16 H new ATOM 0 HZ2 LYS A 44 -8.784 6.890 -12.968 1.00 2.16 H new ATOM 0 HZ3 LYS A 44 -8.021 5.567 -13.709 1.00 2.16 H new ATOM 682 N VAL A 45 -3.585 4.560 -7.854 1.00 0.50 N ATOM 683 CA VAL A 45 -2.110 4.558 -7.726 1.00 0.51 C ATOM 684 C VAL A 45 -1.407 4.914 -9.045 1.00 0.64 C ATOM 685 O VAL A 45 -1.804 4.441 -10.110 1.00 0.73 O ATOM 686 CB VAL A 45 -1.620 3.225 -7.118 1.00 0.48 C ATOM 687 CG1 VAL A 45 -1.792 2.027 -8.057 1.00 0.59 C ATOM 688 CG2 VAL A 45 -0.155 3.288 -6.671 1.00 0.50 C ATOM 0 H VAL A 45 -3.957 3.682 -8.216 1.00 0.50 H new ATOM 0 HA VAL A 45 -1.831 5.351 -7.032 1.00 0.51 H new ATOM 0 HB VAL A 45 -2.260 3.077 -6.248 1.00 0.48 H new ATOM 0 HG11 VAL A 45 -1.428 1.125 -7.566 1.00 0.59 H new ATOM 0 HG12 VAL A 45 -2.847 1.906 -8.302 1.00 0.59 H new ATOM 0 HG13 VAL A 45 -1.224 2.197 -8.972 1.00 0.59 H new ATOM 0 HG21 VAL A 45 0.139 2.326 -6.251 1.00 0.50 H new ATOM 0 HG22 VAL A 45 0.477 3.518 -7.528 1.00 0.50 H new ATOM 0 HG23 VAL A 45 -0.038 4.065 -5.915 1.00 0.50 H new ATOM 698 N VAL A 46 -0.368 5.753 -8.982 1.00 0.76 N ATOM 699 CA VAL A 46 0.405 6.220 -10.157 1.00 0.95 C ATOM 700 C VAL A 46 1.552 5.268 -10.552 1.00 0.89 C ATOM 701 O VAL A 46 2.035 4.510 -9.704 1.00 0.78 O ATOM 702 CB VAL A 46 0.952 7.651 -9.936 1.00 1.15 C ATOM 703 CG1 VAL A 46 -0.186 8.648 -9.696 1.00 1.27 C ATOM 704 CG2 VAL A 46 1.966 7.745 -8.788 1.00 1.18 C ATOM 0 H VAL A 46 -0.028 6.138 -8.101 1.00 0.76 H new ATOM 0 HA VAL A 46 -0.300 6.230 -10.989 1.00 0.95 H new ATOM 0 HB VAL A 46 1.478 7.907 -10.856 1.00 1.15 H new ATOM 0 HG11 VAL A 46 0.229 9.644 -9.544 1.00 1.27 H new ATOM 0 HG12 VAL A 46 -0.849 8.659 -10.561 1.00 1.27 H new ATOM 0 HG13 VAL A 46 -0.749 8.351 -8.811 1.00 1.27 H new ATOM 0 HG21 VAL A 46 2.308 8.775 -8.688 1.00 1.18 H new ATOM 0 HG22 VAL A 46 1.493 7.428 -7.858 1.00 1.18 H new ATOM 0 HG23 VAL A 46 2.817 7.099 -9.001 1.00 1.18 H new ATOM 714 N PRO A 47 2.053 5.305 -11.805 1.00 1.04 N ATOM 715 CA PRO A 47 3.281 4.601 -12.189 1.00 1.05 C ATOM 716 C PRO A 47 4.501 5.136 -11.414 1.00 1.01 C ATOM 717 O PRO A 47 4.755 6.345 -11.386 1.00 1.09 O ATOM 718 CB PRO A 47 3.414 4.805 -13.704 1.00 1.23 C ATOM 719 CG PRO A 47 2.642 6.096 -13.969 1.00 1.83 C ATOM 720 CD PRO A 47 1.503 6.013 -12.957 1.00 1.26 C ATOM 0 HA PRO A 47 3.236 3.540 -11.943 1.00 1.05 H new ATOM 0 HB2 PRO A 47 4.458 4.894 -14.005 1.00 1.23 H new ATOM 0 HB3 PRO A 47 2.993 3.966 -14.259 1.00 1.23 H new ATOM 0 HG2 PRO A 47 3.261 6.979 -13.811 1.00 1.83 H new ATOM 0 HG3 PRO A 47 2.272 6.145 -14.993 1.00 1.83 H new ATOM 0 HD2 PRO A 47 1.155 7.007 -12.677 1.00 1.26 H new ATOM 0 HD3 PRO A 47 0.647 5.481 -13.372 1.00 1.26 H new ATOM 728 N GLY A 48 5.251 4.241 -10.764 1.00 0.94 N ATOM 729 CA GLY A 48 6.324 4.554 -9.804 1.00 0.95 C ATOM 730 C GLY A 48 5.843 4.846 -8.371 1.00 0.90 C ATOM 731 O GLY A 48 6.667 5.031 -7.469 1.00 1.09 O ATOM 0 H GLY A 48 5.125 3.237 -10.895 1.00 0.94 H new ATOM 0 HA2 GLY A 48 7.022 3.717 -9.775 1.00 0.95 H new ATOM 0 HA3 GLY A 48 6.878 5.418 -10.169 1.00 0.95 H new ATOM 735 N GLY A 49 4.526 4.911 -8.142 1.00 0.79 N ATOM 736 CA GLY A 49 3.918 5.269 -6.858 1.00 0.81 C ATOM 737 C GLY A 49 4.098 4.219 -5.757 1.00 0.81 C ATOM 738 O GLY A 49 4.336 3.039 -6.024 1.00 1.04 O ATOM 0 H GLY A 49 3.836 4.710 -8.866 1.00 0.79 H new ATOM 0 HA2 GLY A 49 4.346 6.212 -6.517 1.00 0.81 H new ATOM 0 HA3 GLY A 49 2.852 5.439 -7.010 1.00 0.81 H new ATOM 742 N LYS A 50 3.962 4.657 -4.501 1.00 0.84 N ATOM 743 CA LYS A 50 4.115 3.815 -3.301 1.00 0.87 C ATOM 744 C LYS A 50 2.790 3.638 -2.561 1.00 0.96 C ATOM 745 O LYS A 50 2.006 4.585 -2.442 1.00 1.27 O ATOM 746 CB LYS A 50 5.185 4.399 -2.366 1.00 0.93 C ATOM 747 CG LYS A 50 6.556 4.530 -3.037 1.00 0.97 C ATOM 748 CD LYS A 50 7.595 5.061 -2.040 1.00 1.13 C ATOM 749 CE LYS A 50 8.950 5.309 -2.710 1.00 1.28 C ATOM 750 NZ LYS A 50 8.966 6.549 -3.524 1.00 2.51 N ATOM 0 H LYS A 50 3.738 5.627 -4.281 1.00 0.84 H new ATOM 0 HA LYS A 50 4.439 2.828 -3.630 1.00 0.87 H new ATOM 0 HB2 LYS A 50 4.861 5.380 -2.019 1.00 0.93 H new ATOM 0 HB3 LYS A 50 5.276 3.764 -1.485 1.00 0.93 H new ATOM 0 HG2 LYS A 50 6.874 3.560 -3.420 1.00 0.97 H new ATOM 0 HG3 LYS A 50 6.486 5.203 -3.891 1.00 0.97 H new ATOM 0 HD2 LYS A 50 7.233 5.989 -1.597 1.00 1.13 H new ATOM 0 HD3 LYS A 50 7.717 4.346 -1.226 1.00 1.13 H new ATOM 0 HE2 LYS A 50 9.724 5.371 -1.945 1.00 1.28 H new ATOM 0 HE3 LYS A 50 9.198 4.459 -3.345 1.00 1.28 H new ATOM 0 HZ1 LYS A 50 9.905 6.669 -3.955 1.00 2.51 H new ATOM 0 HZ2 LYS A 50 8.248 6.482 -4.273 1.00 2.51 H new ATOM 0 HZ3 LYS A 50 8.757 7.366 -2.916 1.00 2.51 H new ATOM 764 N PHE A 51 2.552 2.439 -2.031 1.00 0.82 N ATOM 765 CA PHE A 51 1.319 2.133 -1.296 1.00 0.83 C ATOM 766 C PHE A 51 1.326 2.738 0.128 1.00 0.84 C ATOM 767 O PHE A 51 2.292 2.528 0.867 1.00 0.92 O ATOM 768 CB PHE A 51 1.073 0.619 -1.274 1.00 0.85 C ATOM 769 CG PHE A 51 0.790 0.027 -2.643 1.00 0.82 C ATOM 770 CD1 PHE A 51 -0.385 0.378 -3.339 1.00 1.75 C ATOM 771 CD2 PHE A 51 1.714 -0.849 -3.242 1.00 1.68 C ATOM 772 CE1 PHE A 51 -0.618 -0.124 -4.631 1.00 1.78 C ATOM 773 CE2 PHE A 51 1.482 -1.343 -4.537 1.00 1.66 C ATOM 774 CZ PHE A 51 0.318 -0.982 -5.234 1.00 0.84 C ATOM 0 H PHE A 51 3.202 1.655 -2.096 1.00 0.82 H new ATOM 0 HA PHE A 51 0.489 2.603 -1.823 1.00 0.83 H new ATOM 0 HB2 PHE A 51 1.945 0.124 -0.847 1.00 0.85 H new ATOM 0 HB3 PHE A 51 0.231 0.406 -0.615 1.00 0.85 H new ATOM 0 HD1 PHE A 51 -1.108 1.035 -2.878 1.00 1.75 H new ATOM 0 HD2 PHE A 51 2.604 -1.143 -2.705 1.00 1.68 H new ATOM 0 HE1 PHE A 51 -1.518 0.150 -5.161 1.00 1.78 H new ATOM 0 HE2 PHE A 51 2.202 -2.003 -4.998 1.00 1.66 H new ATOM 0 HZ PHE A 51 0.142 -1.362 -6.230 1.00 0.84 H new ATOM 784 N PRO A 52 0.266 3.462 0.548 1.00 0.80 N ATOM 785 CA PRO A 52 0.220 4.150 1.844 1.00 0.78 C ATOM 786 C PRO A 52 -0.356 3.313 3.004 1.00 0.76 C ATOM 787 O PRO A 52 -0.077 3.621 4.160 1.00 0.78 O ATOM 788 CB PRO A 52 -0.642 5.389 1.581 1.00 0.80 C ATOM 789 CG PRO A 52 -1.640 4.913 0.527 1.00 0.80 C ATOM 790 CD PRO A 52 -0.828 3.924 -0.302 1.00 0.79 C ATOM 0 HA PRO A 52 1.231 4.377 2.182 1.00 0.78 H new ATOM 0 HB2 PRO A 52 -1.146 5.727 2.487 1.00 0.80 H new ATOM 0 HB3 PRO A 52 -0.043 6.225 1.218 1.00 0.80 H new ATOM 0 HG2 PRO A 52 -2.510 4.438 0.982 1.00 0.80 H new ATOM 0 HG3 PRO A 52 -2.009 5.740 -0.080 1.00 0.80 H new ATOM 0 HD2 PRO A 52 -1.448 3.087 -0.623 1.00 0.79 H new ATOM 0 HD3 PRO A 52 -0.443 4.400 -1.204 1.00 0.79 H new ATOM 798 N VAL A 53 -1.145 2.273 2.713 1.00 0.75 N ATOM 799 CA VAL A 53 -1.810 1.353 3.666 1.00 0.79 C ATOM 800 C VAL A 53 -1.970 -0.028 3.003 1.00 0.79 C ATOM 801 O VAL A 53 -1.770 -0.142 1.793 1.00 0.77 O ATOM 802 CB VAL A 53 -3.170 1.884 4.169 1.00 0.90 C ATOM 803 CG1 VAL A 53 -3.000 3.065 5.133 1.00 0.94 C ATOM 804 CG2 VAL A 53 -4.105 2.320 3.040 1.00 0.96 C ATOM 0 H VAL A 53 -1.355 2.028 1.745 1.00 0.75 H new ATOM 0 HA VAL A 53 -1.177 1.273 4.550 1.00 0.79 H new ATOM 0 HB VAL A 53 -3.622 1.038 4.687 1.00 0.90 H new ATOM 0 HG11 VAL A 53 -3.980 3.409 5.464 1.00 0.94 H new ATOM 0 HG12 VAL A 53 -2.416 2.748 5.997 1.00 0.94 H new ATOM 0 HG13 VAL A 53 -2.483 3.878 4.624 1.00 0.94 H new ATOM 0 HG21 VAL A 53 -5.042 2.682 3.463 1.00 0.96 H new ATOM 0 HG22 VAL A 53 -3.634 3.117 2.465 1.00 0.96 H new ATOM 0 HG23 VAL A 53 -4.306 1.471 2.386 1.00 0.96 H new ATOM 814 N ASP A 54 -2.302 -1.081 3.763 1.00 0.87 N ATOM 815 CA ASP A 54 -2.618 -2.408 3.198 1.00 0.85 C ATOM 816 C ASP A 54 -4.115 -2.540 2.844 1.00 0.88 C ATOM 817 O ASP A 54 -4.976 -2.023 3.565 1.00 1.02 O ATOM 818 CB ASP A 54 -2.045 -3.553 4.062 1.00 0.89 C ATOM 819 CG ASP A 54 -2.977 -4.144 5.122 1.00 0.88 C ATOM 820 OD1 ASP A 54 -3.962 -4.824 4.759 1.00 1.85 O ATOM 821 OD2 ASP A 54 -2.695 -4.039 6.339 1.00 2.03 O ATOM 0 H ASP A 54 -2.360 -1.042 4.781 1.00 0.87 H new ATOM 0 HA ASP A 54 -2.102 -2.504 2.243 1.00 0.85 H new ATOM 0 HB2 ASP A 54 -1.732 -4.358 3.397 1.00 0.89 H new ATOM 0 HB3 ASP A 54 -1.149 -3.186 4.563 1.00 0.89 H new ATOM 826 N GLY A 55 -4.424 -3.193 1.719 1.00 0.80 N ATOM 827 CA GLY A 55 -5.791 -3.277 1.188 1.00 0.84 C ATOM 828 C GLY A 55 -5.927 -4.083 -0.111 1.00 0.76 C ATOM 829 O GLY A 55 -4.972 -4.709 -0.581 1.00 0.77 O ATOM 0 H GLY A 55 -3.732 -3.680 1.149 1.00 0.80 H new ATOM 0 HA2 GLY A 55 -6.434 -3.725 1.946 1.00 0.84 H new ATOM 0 HA3 GLY A 55 -6.161 -2.267 1.013 1.00 0.84 H new ATOM 833 N ARG A 56 -7.136 -4.067 -0.693 1.00 0.79 N ATOM 834 CA ARG A 56 -7.532 -4.933 -1.825 1.00 0.82 C ATOM 835 C ARG A 56 -7.716 -4.163 -3.140 1.00 0.76 C ATOM 836 O ARG A 56 -8.164 -3.018 -3.152 1.00 0.76 O ATOM 837 CB ARG A 56 -8.743 -5.795 -1.403 1.00 1.01 C ATOM 838 CG ARG A 56 -8.784 -7.163 -2.111 1.00 1.28 C ATOM 839 CD ARG A 56 -9.668 -8.203 -1.407 1.00 1.72 C ATOM 840 NE ARG A 56 -9.132 -8.570 -0.080 1.00 3.56 N ATOM 841 CZ ARG A 56 -9.550 -9.537 0.713 1.00 4.68 C ATOM 842 NH1 ARG A 56 -10.522 -10.346 0.410 1.00 4.58 N ATOM 843 NH2 ARG A 56 -8.977 -9.704 1.867 1.00 6.43 N ATOM 0 H ARG A 56 -7.882 -3.442 -0.388 1.00 0.79 H new ATOM 0 HA ARG A 56 -6.714 -5.614 -2.059 1.00 0.82 H new ATOM 0 HB2 ARG A 56 -8.713 -5.951 -0.325 1.00 1.01 H new ATOM 0 HB3 ARG A 56 -9.662 -5.252 -1.621 1.00 1.01 H new ATOM 0 HG2 ARG A 56 -9.146 -7.023 -3.130 1.00 1.28 H new ATOM 0 HG3 ARG A 56 -7.769 -7.554 -2.184 1.00 1.28 H new ATOM 0 HD2 ARG A 56 -10.677 -7.806 -1.294 1.00 1.72 H new ATOM 0 HD3 ARG A 56 -9.744 -9.096 -2.028 1.00 1.72 H new ATOM 0 HE ARG A 56 -8.350 -8.012 0.262 1.00 3.56 H new ATOM 0 HH11 ARG A 56 -11.005 -10.251 -0.483 1.00 4.58 H new ATOM 0 HH12 ARG A 56 -10.801 -11.076 1.065 1.00 4.58 H new ATOM 0 HH21 ARG A 56 -8.213 -9.091 2.151 1.00 6.43 H new ATOM 0 HH22 ARG A 56 -9.291 -10.448 2.489 1.00 6.43 H new ATOM 857 N VAL A 57 -7.353 -4.792 -4.253 1.00 0.78 N ATOM 858 CA VAL A 57 -7.277 -4.236 -5.615 1.00 0.76 C ATOM 859 C VAL A 57 -8.506 -4.659 -6.414 1.00 0.75 C ATOM 860 O VAL A 57 -8.826 -5.847 -6.447 1.00 0.82 O ATOM 861 CB VAL A 57 -6.011 -4.746 -6.336 1.00 0.81 C ATOM 862 CG1 VAL A 57 -5.850 -4.092 -7.712 1.00 0.83 C ATOM 863 CG2 VAL A 57 -4.731 -4.486 -5.530 1.00 0.93 C ATOM 0 H VAL A 57 -7.083 -5.775 -4.234 1.00 0.78 H new ATOM 0 HA VAL A 57 -7.236 -3.149 -5.542 1.00 0.76 H new ATOM 0 HB VAL A 57 -6.149 -5.822 -6.445 1.00 0.81 H new ATOM 0 HG11 VAL A 57 -4.949 -4.473 -8.193 1.00 0.83 H new ATOM 0 HG12 VAL A 57 -6.717 -4.326 -8.330 1.00 0.83 H new ATOM 0 HG13 VAL A 57 -5.769 -3.011 -7.594 1.00 0.83 H new ATOM 0 HG21 VAL A 57 -3.870 -4.864 -6.082 1.00 0.93 H new ATOM 0 HG22 VAL A 57 -4.615 -3.415 -5.367 1.00 0.93 H new ATOM 0 HG23 VAL A 57 -4.797 -4.995 -4.568 1.00 0.93 H new ATOM 873 N ILE A 58 -9.196 -3.709 -7.052 1.00 0.71 N ATOM 874 CA ILE A 58 -10.501 -3.951 -7.704 1.00 0.85 C ATOM 875 C ILE A 58 -10.704 -3.173 -9.028 1.00 0.85 C ATOM 876 O ILE A 58 -11.837 -2.913 -9.436 1.00 0.97 O ATOM 877 CB ILE A 58 -11.630 -3.655 -6.676 1.00 0.98 C ATOM 878 CG1 ILE A 58 -11.343 -2.350 -5.900 1.00 0.95 C ATOM 879 CG2 ILE A 58 -11.798 -4.826 -5.691 1.00 1.10 C ATOM 880 CD1 ILE A 58 -12.560 -1.787 -5.160 1.00 1.20 C ATOM 0 H ILE A 58 -8.871 -2.746 -7.135 1.00 0.71 H new ATOM 0 HA ILE A 58 -10.532 -4.998 -8.006 1.00 0.85 H new ATOM 0 HB ILE A 58 -12.559 -3.532 -7.233 1.00 0.98 H new ATOM 0 HG12 ILE A 58 -10.546 -2.535 -5.180 1.00 0.95 H new ATOM 0 HG13 ILE A 58 -10.974 -1.598 -6.597 1.00 0.95 H new ATOM 0 HG21 ILE A 58 -12.593 -4.594 -4.983 1.00 1.10 H new ATOM 0 HG22 ILE A 58 -12.055 -5.731 -6.242 1.00 1.10 H new ATOM 0 HG23 ILE A 58 -10.865 -4.983 -5.150 1.00 1.10 H new ATOM 0 HD11 ILE A 58 -12.278 -0.871 -4.640 1.00 1.20 H new ATOM 0 HD12 ILE A 58 -13.352 -1.568 -5.876 1.00 1.20 H new ATOM 0 HD13 ILE A 58 -12.917 -2.520 -4.437 1.00 1.20 H new ATOM 892 N GLU A 59 -9.626 -2.897 -9.767 1.00 0.78 N ATOM 893 CA GLU A 59 -9.615 -2.415 -11.166 1.00 0.85 C ATOM 894 C GLU A 59 -8.183 -2.493 -11.721 1.00 0.84 C ATOM 895 O GLU A 59 -7.248 -2.180 -10.982 1.00 0.82 O ATOM 896 CB GLU A 59 -10.106 -0.952 -11.303 1.00 0.82 C ATOM 897 CG GLU A 59 -10.525 -0.639 -12.751 1.00 1.00 C ATOM 898 CD GLU A 59 -11.087 0.777 -12.942 1.00 1.91 C ATOM 899 OE1 GLU A 59 -12.277 1.003 -12.614 1.00 3.11 O ATOM 900 OE2 GLU A 59 -10.370 1.661 -13.473 1.00 3.07 O ATOM 0 H GLU A 59 -8.683 -3.007 -9.393 1.00 0.78 H new ATOM 0 HA GLU A 59 -10.298 -3.054 -11.725 1.00 0.85 H new ATOM 0 HB2 GLU A 59 -10.949 -0.784 -10.633 1.00 0.82 H new ATOM 0 HB3 GLU A 59 -9.314 -0.269 -10.995 1.00 0.82 H new ATOM 0 HG2 GLU A 59 -9.663 -0.769 -13.405 1.00 1.00 H new ATOM 0 HG3 GLU A 59 -11.276 -1.363 -13.067 1.00 1.00 H new ATOM 907 N GLY A 60 -8.008 -2.826 -13.005 1.00 0.88 N ATOM 908 CA GLY A 60 -6.721 -2.716 -13.711 1.00 0.88 C ATOM 909 C GLY A 60 -5.792 -3.925 -13.560 1.00 0.87 C ATOM 910 O GLY A 60 -6.193 -4.977 -13.058 1.00 0.96 O ATOM 0 H GLY A 60 -8.762 -3.183 -13.591 1.00 0.88 H new ATOM 0 HA2 GLY A 60 -6.918 -2.559 -14.771 1.00 0.88 H new ATOM 0 HA3 GLY A 60 -6.200 -1.830 -13.349 1.00 0.88 H new ATOM 914 N HIS A 61 -4.547 -3.789 -14.026 1.00 0.83 N ATOM 915 CA HIS A 61 -3.507 -4.817 -13.867 1.00 0.84 C ATOM 916 C HIS A 61 -2.089 -4.219 -13.917 1.00 0.81 C ATOM 917 O HIS A 61 -1.719 -3.549 -14.880 1.00 1.13 O ATOM 918 CB HIS A 61 -3.700 -5.984 -14.860 1.00 1.10 C ATOM 919 CG HIS A 61 -3.198 -5.751 -16.261 1.00 1.28 C ATOM 920 ND1 HIS A 61 -1.982 -6.172 -16.748 1.00 2.88 N ATOM 921 CD2 HIS A 61 -3.840 -5.103 -17.281 1.00 1.87 C ATOM 922 CE1 HIS A 61 -1.872 -5.766 -18.021 1.00 2.94 C ATOM 923 NE2 HIS A 61 -2.977 -5.091 -18.388 1.00 1.90 N ATOM 0 H HIS A 61 -4.228 -2.960 -14.527 1.00 0.83 H new ATOM 0 HA HIS A 61 -3.620 -5.240 -12.869 1.00 0.84 H new ATOM 0 HB2 HIS A 61 -3.198 -6.864 -14.457 1.00 1.10 H new ATOM 0 HB3 HIS A 61 -4.763 -6.219 -14.911 1.00 1.10 H new ATOM 0 HD2 HIS A 61 -4.832 -4.678 -17.241 1.00 1.87 H new ATOM 0 HE1 HIS A 61 -1.021 -5.953 -18.659 1.00 2.94 H new ATOM 0 HE2 HIS A 61 -3.153 -4.656 -19.294 1.00 1.90 H new ATOM 931 N SER A 62 -1.311 -4.420 -12.850 1.00 0.69 N ATOM 932 CA SER A 62 0.012 -3.799 -12.648 1.00 0.75 C ATOM 933 C SER A 62 1.003 -4.737 -11.960 1.00 0.74 C ATOM 934 O SER A 62 0.597 -5.769 -11.424 1.00 0.74 O ATOM 935 CB SER A 62 -0.159 -2.514 -11.834 1.00 0.94 C ATOM 936 OG SER A 62 0.944 -1.649 -11.980 1.00 1.14 O ATOM 0 H SER A 62 -1.585 -5.032 -12.082 1.00 0.69 H new ATOM 0 HA SER A 62 0.430 -3.572 -13.629 1.00 0.75 H new ATOM 0 HB2 SER A 62 -1.067 -2.001 -12.151 1.00 0.94 H new ATOM 0 HB3 SER A 62 -0.286 -2.765 -10.781 1.00 0.94 H new ATOM 0 HG SER A 62 1.465 -1.913 -12.767 1.00 1.14 H new ATOM 942 N MET A 63 2.291 -4.377 -11.927 1.00 0.85 N ATOM 943 CA MET A 63 3.341 -5.162 -11.271 1.00 0.86 C ATOM 944 C MET A 63 3.948 -4.404 -10.078 1.00 0.84 C ATOM 945 O MET A 63 4.215 -3.203 -10.163 1.00 0.99 O ATOM 946 CB MET A 63 4.378 -5.581 -12.321 1.00 0.95 C ATOM 947 CG MET A 63 5.490 -6.435 -11.708 1.00 1.04 C ATOM 948 SD MET A 63 6.450 -7.402 -12.902 1.00 1.20 S ATOM 949 CE MET A 63 5.316 -8.799 -13.127 1.00 1.06 C ATOM 0 H MET A 63 2.637 -3.521 -12.361 1.00 0.85 H new ATOM 0 HA MET A 63 2.915 -6.069 -10.843 1.00 0.86 H new ATOM 0 HB2 MET A 63 3.885 -6.141 -13.116 1.00 0.95 H new ATOM 0 HB3 MET A 63 4.812 -4.692 -12.779 1.00 0.95 H new ATOM 0 HG2 MET A 63 6.170 -5.783 -11.160 1.00 1.04 H new ATOM 0 HG3 MET A 63 5.047 -7.117 -10.982 1.00 1.04 H new ATOM 0 HE1 MET A 63 5.745 -9.505 -13.837 1.00 1.06 H new ATOM 0 HE2 MET A 63 5.158 -9.297 -12.170 1.00 1.06 H new ATOM 0 HE3 MET A 63 4.362 -8.435 -13.509 1.00 1.06 H new ATOM 959 N VAL A 64 4.157 -5.130 -8.975 1.00 0.70 N ATOM 960 CA VAL A 64 4.573 -4.616 -7.658 1.00 0.61 C ATOM 961 C VAL A 64 5.870 -5.277 -7.175 1.00 0.63 C ATOM 962 O VAL A 64 6.077 -6.477 -7.354 1.00 0.75 O ATOM 963 CB VAL A 64 3.437 -4.813 -6.628 1.00 0.57 C ATOM 964 CG1 VAL A 64 3.813 -4.332 -5.220 1.00 0.60 C ATOM 965 CG2 VAL A 64 2.174 -4.048 -7.052 1.00 0.64 C ATOM 0 H VAL A 64 4.036 -6.143 -8.972 1.00 0.70 H new ATOM 0 HA VAL A 64 4.775 -3.550 -7.761 1.00 0.61 H new ATOM 0 HB VAL A 64 3.257 -5.888 -6.600 1.00 0.57 H new ATOM 0 HG11 VAL A 64 2.975 -4.497 -4.543 1.00 0.60 H new ATOM 0 HG12 VAL A 64 4.681 -4.888 -4.865 1.00 0.60 H new ATOM 0 HG13 VAL A 64 4.051 -3.269 -5.250 1.00 0.60 H new ATOM 0 HG21 VAL A 64 1.389 -4.202 -6.311 1.00 0.64 H new ATOM 0 HG22 VAL A 64 2.400 -2.984 -7.125 1.00 0.64 H new ATOM 0 HG23 VAL A 64 1.835 -4.414 -8.021 1.00 0.64 H new ATOM 975 N ASP A 65 6.732 -4.499 -6.522 1.00 0.59 N ATOM 976 CA ASP A 65 7.969 -4.968 -5.885 1.00 0.61 C ATOM 977 C ASP A 65 7.761 -5.189 -4.369 1.00 0.57 C ATOM 978 O ASP A 65 7.491 -4.235 -3.635 1.00 0.59 O ATOM 979 CB ASP A 65 9.074 -3.948 -6.205 1.00 0.70 C ATOM 980 CG ASP A 65 10.470 -4.422 -5.800 1.00 0.80 C ATOM 981 OD1 ASP A 65 11.006 -5.366 -6.431 1.00 1.90 O ATOM 982 OD2 ASP A 65 11.075 -3.814 -4.892 1.00 1.85 O ATOM 0 H ASP A 65 6.588 -3.495 -6.417 1.00 0.59 H new ATOM 0 HA ASP A 65 8.268 -5.940 -6.277 1.00 0.61 H new ATOM 0 HB2 ASP A 65 9.066 -3.737 -7.274 1.00 0.70 H new ATOM 0 HB3 ASP A 65 8.853 -3.011 -5.693 1.00 0.70 H new ATOM 987 N GLU A 66 7.855 -6.441 -3.894 1.00 0.69 N ATOM 988 CA GLU A 66 7.599 -6.835 -2.486 1.00 0.75 C ATOM 989 C GLU A 66 8.850 -7.357 -1.729 1.00 0.81 C ATOM 990 O GLU A 66 8.746 -7.942 -0.647 1.00 0.91 O ATOM 991 CB GLU A 66 6.437 -7.844 -2.368 1.00 0.94 C ATOM 992 CG GLU A 66 5.117 -7.579 -3.115 1.00 0.85 C ATOM 993 CD GLU A 66 4.009 -8.596 -2.740 1.00 0.83 C ATOM 994 OE1 GLU A 66 4.283 -9.635 -2.088 1.00 1.93 O ATOM 995 OE2 GLU A 66 2.823 -8.360 -3.087 1.00 2.03 O ATOM 0 H GLU A 66 8.116 -7.230 -4.485 1.00 0.69 H new ATOM 0 HA GLU A 66 7.310 -5.907 -1.993 1.00 0.75 H new ATOM 0 HB2 GLU A 66 6.811 -8.812 -2.702 1.00 0.94 H new ATOM 0 HB3 GLU A 66 6.198 -7.943 -1.309 1.00 0.94 H new ATOM 0 HG2 GLU A 66 4.771 -6.570 -2.889 1.00 0.85 H new ATOM 0 HG3 GLU A 66 5.296 -7.621 -4.189 1.00 0.85 H new ATOM 1002 N SER A 67 10.054 -7.143 -2.269 1.00 0.89 N ATOM 1003 CA SER A 67 11.319 -7.752 -1.813 1.00 1.05 C ATOM 1004 C SER A 67 11.855 -7.349 -0.425 1.00 1.20 C ATOM 1005 O SER A 67 12.867 -7.904 0.011 1.00 1.69 O ATOM 1006 CB SER A 67 12.394 -7.505 -2.872 1.00 1.19 C ATOM 1007 OG SER A 67 12.722 -6.129 -2.988 1.00 1.62 O ATOM 0 H SER A 67 10.185 -6.519 -3.065 1.00 0.89 H new ATOM 0 HA SER A 67 11.074 -8.807 -1.685 1.00 1.05 H new ATOM 0 HB2 SER A 67 13.290 -8.071 -2.617 1.00 1.19 H new ATOM 0 HB3 SER A 67 12.045 -7.877 -3.836 1.00 1.19 H new ATOM 0 HG SER A 67 13.413 -6.014 -3.673 1.00 1.62 H new ATOM 1013 N LEU A 68 11.206 -6.424 0.285 1.00 0.93 N ATOM 1014 CA LEU A 68 11.500 -6.038 1.677 1.00 1.03 C ATOM 1015 C LEU A 68 10.339 -6.463 2.594 1.00 1.04 C ATOM 1016 O LEU A 68 10.573 -7.002 3.677 1.00 1.12 O ATOM 1017 CB LEU A 68 11.794 -4.517 1.702 1.00 1.09 C ATOM 1018 CG LEU A 68 12.129 -3.810 3.036 1.00 1.10 C ATOM 1019 CD1 LEU A 68 10.942 -3.678 3.994 1.00 1.24 C ATOM 1020 CD2 LEU A 68 13.291 -4.440 3.804 1.00 1.01 C ATOM 0 H LEU A 68 10.426 -5.897 -0.107 1.00 0.93 H new ATOM 0 HA LEU A 68 12.382 -6.550 2.061 1.00 1.03 H new ATOM 0 HB2 LEU A 68 12.628 -4.338 1.023 1.00 1.09 H new ATOM 0 HB3 LEU A 68 10.925 -4.013 1.279 1.00 1.09 H new ATOM 0 HG LEU A 68 12.423 -2.816 2.699 1.00 1.10 H new ATOM 0 HD11 LEU A 68 11.263 -3.171 4.904 1.00 1.24 H new ATOM 0 HD12 LEU A 68 10.152 -3.099 3.516 1.00 1.24 H new ATOM 0 HD13 LEU A 68 10.565 -4.669 4.245 1.00 1.24 H new ATOM 0 HD21 LEU A 68 13.461 -3.885 4.727 1.00 1.01 H new ATOM 0 HD22 LEU A 68 13.050 -5.476 4.043 1.00 1.01 H new ATOM 0 HD23 LEU A 68 14.192 -4.409 3.191 1.00 1.01 H new ATOM 1032 N ILE A 69 9.096 -6.270 2.137 1.00 1.02 N ATOM 1033 CA ILE A 69 7.875 -6.522 2.919 1.00 1.05 C ATOM 1034 C ILE A 69 7.570 -8.030 3.018 1.00 1.07 C ATOM 1035 O ILE A 69 7.524 -8.587 4.119 1.00 1.13 O ATOM 1036 CB ILE A 69 6.677 -5.722 2.346 1.00 1.12 C ATOM 1037 CG1 ILE A 69 6.959 -4.215 2.113 1.00 1.17 C ATOM 1038 CG2 ILE A 69 5.457 -5.899 3.267 1.00 1.14 C ATOM 1039 CD1 ILE A 69 7.083 -3.344 3.362 1.00 1.10 C ATOM 0 H ILE A 69 8.905 -5.928 1.195 1.00 1.02 H new ATOM 0 HA ILE A 69 8.046 -6.169 3.936 1.00 1.05 H new ATOM 0 HB ILE A 69 6.481 -6.134 1.356 1.00 1.12 H new ATOM 0 HG12 ILE A 69 7.883 -4.125 1.541 1.00 1.17 H new ATOM 0 HG13 ILE A 69 6.159 -3.810 1.493 1.00 1.17 H new ATOM 0 HG21 ILE A 69 4.614 -5.337 2.866 1.00 1.14 H new ATOM 0 HG22 ILE A 69 5.195 -6.955 3.325 1.00 1.14 H new ATOM 0 HG23 ILE A 69 5.697 -5.530 4.264 1.00 1.14 H new ATOM 0 HD11 ILE A 69 7.280 -2.313 3.068 1.00 1.10 H new ATOM 0 HD12 ILE A 69 6.154 -3.389 3.930 1.00 1.10 H new ATOM 0 HD13 ILE A 69 7.904 -3.708 3.980 1.00 1.10 H new ATOM 1051 N THR A 70 7.397 -8.714 1.882 1.00 1.06 N ATOM 1052 CA THR A 70 7.139 -10.171 1.819 1.00 1.12 C ATOM 1053 C THR A 70 8.380 -10.981 1.437 1.00 1.23 C ATOM 1054 O THR A 70 8.384 -12.205 1.585 1.00 1.33 O ATOM 1055 CB THR A 70 5.989 -10.513 0.859 1.00 1.00 C ATOM 1056 OG1 THR A 70 6.390 -10.266 -0.462 1.00 1.15 O ATOM 1057 CG2 THR A 70 4.715 -9.716 1.131 1.00 1.29 C ATOM 0 H THR A 70 7.431 -8.272 0.963 1.00 1.06 H new ATOM 0 HA THR A 70 6.851 -10.453 2.832 1.00 1.12 H new ATOM 0 HB THR A 70 5.760 -11.567 1.018 1.00 1.00 H new ATOM 0 HG1 THR A 70 5.598 -10.156 -1.029 1.00 1.15 H new ATOM 0 HG21 THR A 70 3.944 -10.007 0.417 1.00 1.29 H new ATOM 0 HG22 THR A 70 4.367 -9.920 2.144 1.00 1.29 H new ATOM 0 HG23 THR A 70 4.923 -8.651 1.026 1.00 1.29 H new ATOM 1065 N GLY A 71 9.452 -10.325 0.978 1.00 1.28 N ATOM 1066 CA GLY A 71 10.752 -10.944 0.691 1.00 1.39 C ATOM 1067 C GLY A 71 10.784 -11.842 -0.550 1.00 1.20 C ATOM 1068 O GLY A 71 11.690 -12.660 -0.685 1.00 1.27 O ATOM 0 H GLY A 71 9.439 -9.322 0.791 1.00 1.28 H new ATOM 0 HA2 GLY A 71 11.494 -10.155 0.569 1.00 1.39 H new ATOM 0 HA3 GLY A 71 11.055 -11.535 1.556 1.00 1.39 H new ATOM 1072 N GLU A 72 9.786 -11.740 -1.435 1.00 1.06 N ATOM 1073 CA GLU A 72 9.681 -12.613 -2.617 1.00 0.95 C ATOM 1074 C GLU A 72 10.931 -12.578 -3.516 1.00 1.19 C ATOM 1075 O GLU A 72 11.338 -13.630 -4.011 1.00 2.58 O ATOM 1076 CB GLU A 72 8.411 -12.275 -3.420 1.00 1.00 C ATOM 1077 CG GLU A 72 7.148 -12.853 -2.764 1.00 0.91 C ATOM 1078 CD GLU A 72 7.163 -14.386 -2.712 1.00 1.07 C ATOM 1079 OE1 GLU A 72 7.651 -15.052 -3.657 1.00 2.00 O ATOM 1080 OE2 GLU A 72 6.744 -14.949 -1.673 1.00 1.85 O ATOM 0 H GLU A 72 9.033 -11.057 -1.356 1.00 1.06 H new ATOM 0 HA GLU A 72 9.610 -13.635 -2.246 1.00 0.95 H new ATOM 0 HB2 GLU A 72 8.313 -11.193 -3.506 1.00 1.00 H new ATOM 0 HB3 GLU A 72 8.506 -12.667 -4.432 1.00 1.00 H new ATOM 0 HG2 GLU A 72 7.055 -12.459 -1.752 1.00 0.91 H new ATOM 0 HG3 GLU A 72 6.270 -12.520 -3.317 1.00 0.91 H new ATOM 1087 N ALA A 73 11.556 -11.404 -3.690 1.00 1.09 N ATOM 1088 CA ALA A 73 12.782 -11.201 -4.487 1.00 1.05 C ATOM 1089 C ALA A 73 12.614 -11.506 -5.996 1.00 0.90 C ATOM 1090 O ALA A 73 13.580 -11.709 -6.738 1.00 1.21 O ATOM 1091 CB ALA A 73 13.980 -11.886 -3.812 1.00 1.32 C ATOM 0 H ALA A 73 11.214 -10.541 -3.268 1.00 1.09 H new ATOM 0 HA ALA A 73 13.000 -10.133 -4.494 1.00 1.05 H new ATOM 0 HB1 ALA A 73 14.876 -11.727 -4.412 1.00 1.32 H new ATOM 0 HB2 ALA A 73 14.129 -11.463 -2.819 1.00 1.32 H new ATOM 0 HB3 ALA A 73 13.786 -12.955 -3.726 1.00 1.32 H new ATOM 1097 N MET A 74 11.357 -11.508 -6.437 1.00 0.84 N ATOM 1098 CA MET A 74 10.853 -11.540 -7.802 1.00 0.82 C ATOM 1099 C MET A 74 9.529 -10.745 -7.764 1.00 0.72 C ATOM 1100 O MET A 74 8.753 -10.943 -6.818 1.00 0.77 O ATOM 1101 CB MET A 74 10.629 -13.001 -8.223 1.00 0.97 C ATOM 1102 CG MET A 74 10.110 -13.095 -9.658 1.00 2.16 C ATOM 1103 SD MET A 74 9.801 -14.777 -10.266 1.00 2.66 S ATOM 1104 CE MET A 74 11.492 -15.419 -10.407 1.00 3.22 C ATOM 0 H MET A 74 10.586 -11.485 -5.770 1.00 0.84 H new ATOM 0 HA MET A 74 11.543 -11.105 -8.525 1.00 0.82 H new ATOM 0 HB2 MET A 74 11.564 -13.554 -8.136 1.00 0.97 H new ATOM 0 HB3 MET A 74 9.917 -13.471 -7.545 1.00 0.97 H new ATOM 0 HG2 MET A 74 9.183 -12.525 -9.729 1.00 2.16 H new ATOM 0 HG3 MET A 74 10.831 -12.615 -10.319 1.00 2.16 H new ATOM 0 HE1 MET A 74 11.466 -16.420 -10.837 1.00 3.22 H new ATOM 0 HE2 MET A 74 12.078 -14.763 -11.050 1.00 3.22 H new ATOM 0 HE3 MET A 74 11.949 -15.460 -9.418 1.00 3.22 H new ATOM 1114 N PRO A 75 9.250 -9.828 -8.707 1.00 0.75 N ATOM 1115 CA PRO A 75 8.077 -8.954 -8.626 1.00 0.75 C ATOM 1116 C PRO A 75 6.749 -9.718 -8.801 1.00 0.69 C ATOM 1117 O PRO A 75 6.724 -10.856 -9.275 1.00 0.72 O ATOM 1118 CB PRO A 75 8.308 -7.875 -9.685 1.00 0.97 C ATOM 1119 CG PRO A 75 9.175 -8.583 -10.726 1.00 1.43 C ATOM 1120 CD PRO A 75 10.062 -9.477 -9.863 1.00 1.01 C ATOM 0 HA PRO A 75 7.973 -8.510 -7.636 1.00 0.75 H new ATOM 0 HB2 PRO A 75 7.369 -7.525 -10.114 1.00 0.97 H new ATOM 0 HB3 PRO A 75 8.812 -7.003 -9.268 1.00 0.97 H new ATOM 0 HG2 PRO A 75 8.575 -9.162 -11.428 1.00 1.43 H new ATOM 0 HG3 PRO A 75 9.761 -7.877 -11.315 1.00 1.43 H new ATOM 0 HD2 PRO A 75 10.373 -10.367 -10.410 1.00 1.01 H new ATOM 0 HD3 PRO A 75 10.970 -8.955 -9.561 1.00 1.01 H new ATOM 1128 N VAL A 76 5.644 -9.097 -8.377 1.00 0.72 N ATOM 1129 CA VAL A 76 4.315 -9.720 -8.245 1.00 0.75 C ATOM 1130 C VAL A 76 3.263 -8.938 -9.039 1.00 0.77 C ATOM 1131 O VAL A 76 3.048 -7.750 -8.794 1.00 0.79 O ATOM 1132 CB VAL A 76 3.911 -9.816 -6.754 1.00 0.79 C ATOM 1133 CG1 VAL A 76 2.589 -10.573 -6.577 1.00 0.89 C ATOM 1134 CG2 VAL A 76 4.964 -10.542 -5.903 1.00 0.79 C ATOM 0 H VAL A 76 5.646 -8.114 -8.106 1.00 0.72 H new ATOM 0 HA VAL A 76 4.368 -10.728 -8.657 1.00 0.75 H new ATOM 0 HB VAL A 76 3.815 -8.783 -6.418 1.00 0.79 H new ATOM 0 HG11 VAL A 76 2.336 -10.621 -5.518 1.00 0.89 H new ATOM 0 HG12 VAL A 76 1.797 -10.053 -7.116 1.00 0.89 H new ATOM 0 HG13 VAL A 76 2.693 -11.584 -6.972 1.00 0.89 H new ATOM 0 HG21 VAL A 76 4.630 -10.581 -4.866 1.00 0.79 H new ATOM 0 HG22 VAL A 76 5.099 -11.556 -6.279 1.00 0.79 H new ATOM 0 HG23 VAL A 76 5.911 -10.005 -5.959 1.00 0.79 H new ATOM 1144 N ALA A 77 2.581 -9.598 -9.976 1.00 0.83 N ATOM 1145 CA ALA A 77 1.473 -9.016 -10.736 1.00 0.85 C ATOM 1146 C ALA A 77 0.151 -9.005 -9.943 1.00 0.69 C ATOM 1147 O ALA A 77 -0.128 -9.916 -9.159 1.00 0.69 O ATOM 1148 CB ALA A 77 1.334 -9.750 -12.073 1.00 1.04 C ATOM 0 H ALA A 77 2.785 -10.564 -10.232 1.00 0.83 H new ATOM 0 HA ALA A 77 1.704 -7.968 -10.929 1.00 0.85 H new ATOM 0 HB1 ALA A 77 0.510 -9.319 -12.641 1.00 1.04 H new ATOM 0 HB2 ALA A 77 2.258 -9.649 -12.641 1.00 1.04 H new ATOM 0 HB3 ALA A 77 1.135 -10.806 -11.889 1.00 1.04 H new ATOM 1154 N LYS A 78 -0.651 -7.958 -10.161 1.00 0.68 N ATOM 1155 CA LYS A 78 -1.936 -7.671 -9.498 1.00 0.66 C ATOM 1156 C LYS A 78 -3.067 -7.499 -10.520 1.00 0.78 C ATOM 1157 O LYS A 78 -2.813 -7.214 -11.693 1.00 0.86 O ATOM 1158 CB LYS A 78 -1.798 -6.412 -8.617 1.00 0.67 C ATOM 1159 CG LYS A 78 -0.619 -6.406 -7.627 1.00 0.62 C ATOM 1160 CD LYS A 78 -0.687 -7.501 -6.553 1.00 0.55 C ATOM 1161 CE LYS A 78 0.593 -7.493 -5.710 1.00 0.60 C ATOM 1162 NZ LYS A 78 0.486 -8.415 -4.556 1.00 0.70 N ATOM 0 H LYS A 78 -0.409 -7.242 -10.846 1.00 0.68 H new ATOM 0 HA LYS A 78 -2.195 -8.521 -8.867 1.00 0.66 H new ATOM 0 HB2 LYS A 78 -1.702 -5.545 -9.270 1.00 0.67 H new ATOM 0 HB3 LYS A 78 -2.721 -6.285 -8.052 1.00 0.67 H new ATOM 0 HG2 LYS A 78 0.310 -6.520 -8.186 1.00 0.62 H new ATOM 0 HG3 LYS A 78 -0.578 -5.434 -7.135 1.00 0.62 H new ATOM 0 HD2 LYS A 78 -1.554 -7.340 -5.913 1.00 0.55 H new ATOM 0 HD3 LYS A 78 -0.815 -8.476 -7.024 1.00 0.55 H new ATOM 0 HE2 LYS A 78 1.441 -7.782 -6.331 1.00 0.60 H new ATOM 0 HE3 LYS A 78 0.789 -6.482 -5.353 1.00 0.60 H new ATOM 0 HZ1 LYS A 78 1.333 -8.324 -3.959 1.00 0.70 H new ATOM 0 HZ2 LYS A 78 -0.358 -8.176 -3.998 1.00 0.70 H new ATOM 0 HZ3 LYS A 78 0.408 -9.394 -4.900 1.00 0.70 H new ATOM 1176 N LYS A 79 -4.316 -7.650 -10.075 1.00 0.86 N ATOM 1177 CA LYS A 79 -5.555 -7.655 -10.884 1.00 0.95 C ATOM 1178 C LYS A 79 -6.778 -7.286 -10.014 1.00 0.95 C ATOM 1179 O LYS A 79 -6.599 -7.189 -8.797 1.00 0.91 O ATOM 1180 CB LYS A 79 -5.713 -9.071 -11.480 1.00 1.06 C ATOM 1181 CG LYS A 79 -5.956 -10.173 -10.432 1.00 2.44 C ATOM 1182 CD LYS A 79 -6.583 -11.421 -11.059 1.00 2.68 C ATOM 1183 CE LYS A 79 -5.600 -12.129 -11.994 1.00 2.30 C ATOM 1184 NZ LYS A 79 -6.064 -13.500 -12.291 1.00 2.73 N ATOM 0 H LYS A 79 -4.510 -7.780 -9.082 1.00 0.86 H new ATOM 0 HA LYS A 79 -5.493 -6.913 -11.680 1.00 0.95 H new ATOM 0 HB2 LYS A 79 -6.544 -9.066 -12.185 1.00 1.06 H new ATOM 0 HB3 LYS A 79 -4.815 -9.316 -12.048 1.00 1.06 H new ATOM 0 HG2 LYS A 79 -5.011 -10.439 -9.958 1.00 2.44 H new ATOM 0 HG3 LYS A 79 -6.610 -9.792 -9.648 1.00 2.44 H new ATOM 0 HD2 LYS A 79 -6.897 -12.107 -10.272 1.00 2.68 H new ATOM 0 HD3 LYS A 79 -7.478 -11.141 -11.614 1.00 2.68 H new ATOM 0 HE2 LYS A 79 -5.499 -11.564 -12.921 1.00 2.30 H new ATOM 0 HE3 LYS A 79 -4.613 -12.165 -11.534 1.00 2.30 H new ATOM 0 HZ1 LYS A 79 -5.385 -13.966 -12.927 1.00 2.73 H new ATOM 0 HZ2 LYS A 79 -6.137 -14.041 -11.406 1.00 2.73 H new ATOM 0 HZ3 LYS A 79 -6.996 -13.459 -12.750 1.00 2.73 H new ATOM 1198 N PRO A 80 -8.007 -7.112 -10.547 1.00 1.03 N ATOM 1199 CA PRO A 80 -9.201 -7.062 -9.702 1.00 1.08 C ATOM 1200 C PRO A 80 -9.340 -8.388 -8.929 1.00 1.00 C ATOM 1201 O PRO A 80 -9.236 -9.470 -9.511 1.00 1.01 O ATOM 1202 CB PRO A 80 -10.383 -6.809 -10.647 1.00 1.21 C ATOM 1203 CG PRO A 80 -9.882 -7.338 -11.991 1.00 1.23 C ATOM 1204 CD PRO A 80 -8.400 -6.978 -11.944 1.00 1.12 C ATOM 0 HA PRO A 80 -9.153 -6.272 -8.953 1.00 1.08 H new ATOM 0 HB2 PRO A 80 -11.280 -7.334 -10.318 1.00 1.21 H new ATOM 0 HB3 PRO A 80 -10.635 -5.750 -10.701 1.00 1.21 H new ATOM 0 HG2 PRO A 80 -10.038 -8.412 -12.090 1.00 1.23 H new ATOM 0 HG3 PRO A 80 -10.390 -6.864 -12.831 1.00 1.23 H new ATOM 0 HD2 PRO A 80 -7.815 -7.642 -12.581 1.00 1.12 H new ATOM 0 HD3 PRO A 80 -8.232 -5.962 -12.303 1.00 1.12 H new ATOM 1212 N GLY A 81 -9.537 -8.308 -7.613 1.00 1.03 N ATOM 1213 CA GLY A 81 -9.461 -9.459 -6.707 1.00 1.01 C ATOM 1214 C GLY A 81 -8.019 -9.852 -6.352 1.00 0.81 C ATOM 1215 O GLY A 81 -7.675 -11.039 -6.355 1.00 0.90 O ATOM 0 H GLY A 81 -9.757 -7.432 -7.138 1.00 1.03 H new ATOM 0 HA2 GLY A 81 -10.005 -9.229 -5.791 1.00 1.01 H new ATOM 0 HA3 GLY A 81 -9.960 -10.311 -7.169 1.00 1.01 H new ATOM 1219 N SER A 82 -7.159 -8.865 -6.065 1.00 0.80 N ATOM 1220 CA SER A 82 -5.761 -9.053 -5.619 1.00 0.67 C ATOM 1221 C SER A 82 -5.458 -8.184 -4.385 1.00 0.64 C ATOM 1222 O SER A 82 -6.249 -7.301 -4.067 1.00 0.78 O ATOM 1223 CB SER A 82 -4.836 -8.696 -6.780 1.00 0.54 C ATOM 1224 OG SER A 82 -3.520 -9.153 -6.572 1.00 1.56 O ATOM 0 H SER A 82 -7.420 -7.882 -6.137 1.00 0.80 H new ATOM 0 HA SER A 82 -5.601 -10.091 -5.327 1.00 0.67 H new ATOM 0 HB2 SER A 82 -5.228 -9.129 -7.701 1.00 0.54 H new ATOM 0 HB3 SER A 82 -4.826 -7.614 -6.915 1.00 0.54 H new ATOM 0 HG SER A 82 -3.272 -9.774 -7.289 1.00 1.56 H new ATOM 1230 N THR A 83 -4.350 -8.387 -3.667 1.00 0.71 N ATOM 1231 CA THR A 83 -4.025 -7.679 -2.404 1.00 0.73 C ATOM 1232 C THR A 83 -2.667 -6.971 -2.446 1.00 0.71 C ATOM 1233 O THR A 83 -1.738 -7.415 -3.128 1.00 0.74 O ATOM 1234 CB THR A 83 -4.079 -8.610 -1.176 1.00 0.89 C ATOM 1235 OG1 THR A 83 -3.019 -9.547 -1.182 1.00 1.26 O ATOM 1236 CG2 THR A 83 -5.389 -9.390 -1.040 1.00 1.04 C ATOM 0 H THR A 83 -3.634 -9.059 -3.944 1.00 0.71 H new ATOM 0 HA THR A 83 -4.801 -6.920 -2.303 1.00 0.73 H new ATOM 0 HB THR A 83 -3.994 -7.932 -0.327 1.00 0.89 H new ATOM 0 HG1 THR A 83 -3.084 -10.119 -0.389 1.00 1.26 H new ATOM 0 HG21 THR A 83 -5.346 -10.021 -0.152 1.00 1.04 H new ATOM 0 HG22 THR A 83 -6.221 -8.691 -0.949 1.00 1.04 H new ATOM 0 HG23 THR A 83 -5.534 -10.014 -1.922 1.00 1.04 H new ATOM 1244 N VAL A 84 -2.532 -5.873 -1.696 1.00 0.70 N ATOM 1245 CA VAL A 84 -1.285 -5.095 -1.552 1.00 0.70 C ATOM 1246 C VAL A 84 -0.997 -4.719 -0.092 1.00 0.70 C ATOM 1247 O VAL A 84 -1.876 -4.770 0.772 1.00 0.71 O ATOM 1248 CB VAL A 84 -1.275 -3.840 -2.455 1.00 0.74 C ATOM 1249 CG1 VAL A 84 -1.219 -4.221 -3.939 1.00 0.74 C ATOM 1250 CG2 VAL A 84 -2.475 -2.913 -2.221 1.00 0.81 C ATOM 0 H VAL A 84 -3.305 -5.485 -1.155 1.00 0.70 H new ATOM 0 HA VAL A 84 -0.481 -5.750 -1.886 1.00 0.70 H new ATOM 0 HB VAL A 84 -0.374 -3.293 -2.178 1.00 0.74 H new ATOM 0 HG11 VAL A 84 -1.213 -3.316 -4.547 1.00 0.74 H new ATOM 0 HG12 VAL A 84 -0.313 -4.795 -4.133 1.00 0.74 H new ATOM 0 HG13 VAL A 84 -2.091 -4.823 -4.193 1.00 0.74 H new ATOM 0 HG21 VAL A 84 -2.405 -2.053 -2.887 1.00 0.81 H new ATOM 0 HG22 VAL A 84 -3.399 -3.455 -2.424 1.00 0.81 H new ATOM 0 HG23 VAL A 84 -2.475 -2.572 -1.186 1.00 0.81 H new ATOM 1260 N ILE A 85 0.253 -4.336 0.171 1.00 0.76 N ATOM 1261 CA ILE A 85 0.797 -3.890 1.462 1.00 0.78 C ATOM 1262 C ILE A 85 1.505 -2.538 1.313 1.00 0.79 C ATOM 1263 O ILE A 85 2.031 -2.211 0.248 1.00 1.01 O ATOM 1264 CB ILE A 85 1.733 -4.946 2.116 1.00 0.79 C ATOM 1265 CG1 ILE A 85 2.426 -5.945 1.155 1.00 0.88 C ATOM 1266 CG2 ILE A 85 0.948 -5.759 3.155 1.00 1.03 C ATOM 1267 CD1 ILE A 85 3.345 -5.289 0.119 1.00 0.85 C ATOM 0 H ILE A 85 0.964 -4.327 -0.560 1.00 0.76 H new ATOM 0 HA ILE A 85 -0.049 -3.767 2.139 1.00 0.78 H new ATOM 0 HB ILE A 85 2.534 -4.350 2.554 1.00 0.79 H new ATOM 0 HG12 ILE A 85 3.009 -6.653 1.744 1.00 0.88 H new ATOM 0 HG13 ILE A 85 1.661 -6.519 0.633 1.00 0.88 H new ATOM 0 HG21 ILE A 85 1.606 -6.498 3.612 1.00 1.03 H new ATOM 0 HG22 ILE A 85 0.564 -5.090 3.925 1.00 1.03 H new ATOM 0 HG23 ILE A 85 0.116 -6.267 2.667 1.00 1.03 H new ATOM 0 HD11 ILE A 85 3.789 -6.058 -0.512 1.00 0.85 H new ATOM 0 HD12 ILE A 85 2.766 -4.603 -0.499 1.00 0.85 H new ATOM 0 HD13 ILE A 85 4.135 -4.739 0.630 1.00 0.85 H new ATOM 1279 N ALA A 86 1.508 -1.747 2.388 1.00 0.77 N ATOM 1280 CA ALA A 86 2.131 -0.427 2.413 1.00 0.77 C ATOM 1281 C ALA A 86 3.661 -0.494 2.256 1.00 0.76 C ATOM 1282 O ALA A 86 4.296 -1.468 2.653 1.00 0.76 O ATOM 1283 CB ALA A 86 1.727 0.294 3.700 1.00 0.83 C ATOM 0 H ALA A 86 1.073 -2.010 3.273 1.00 0.77 H new ATOM 0 HA ALA A 86 1.771 0.139 1.554 1.00 0.77 H new ATOM 0 HB1 ALA A 86 2.189 1.281 3.725 1.00 0.83 H new ATOM 0 HB2 ALA A 86 0.643 0.400 3.732 1.00 0.83 H new ATOM 0 HB3 ALA A 86 2.061 -0.285 4.561 1.00 0.83 H new ATOM 1289 N GLY A 87 4.250 0.557 1.682 1.00 0.77 N ATOM 1290 CA GLY A 87 5.698 0.672 1.472 1.00 0.79 C ATOM 1291 C GLY A 87 6.253 -0.112 0.274 1.00 0.79 C ATOM 1292 O GLY A 87 7.418 0.068 -0.067 1.00 0.90 O ATOM 0 H GLY A 87 3.728 1.366 1.344 1.00 0.77 H new ATOM 0 HA2 GLY A 87 5.947 1.725 1.342 1.00 0.79 H new ATOM 0 HA3 GLY A 87 6.207 0.333 2.374 1.00 0.79 H new ATOM 1296 N SER A 88 5.439 -0.923 -0.410 1.00 0.74 N ATOM 1297 CA SER A 88 5.813 -1.534 -1.694 1.00 0.76 C ATOM 1298 C SER A 88 5.555 -0.579 -2.866 1.00 0.66 C ATOM 1299 O SER A 88 4.744 0.349 -2.762 1.00 0.60 O ATOM 1300 CB SER A 88 5.115 -2.885 -1.885 1.00 0.81 C ATOM 1301 OG SER A 88 5.986 -3.911 -1.467 1.00 2.73 O ATOM 0 H SER A 88 4.503 -1.175 -0.091 1.00 0.74 H new ATOM 0 HA SER A 88 6.886 -1.726 -1.675 1.00 0.76 H new ATOM 0 HB2 SER A 88 4.191 -2.917 -1.308 1.00 0.81 H new ATOM 0 HB3 SER A 88 4.843 -3.024 -2.931 1.00 0.81 H new ATOM 0 HG SER A 88 6.754 -3.956 -2.074 1.00 2.73 H new ATOM 1307 N ILE A 89 6.255 -0.811 -3.982 1.00 0.67 N ATOM 1308 CA ILE A 89 6.324 0.111 -5.129 1.00 0.67 C ATOM 1309 C ILE A 89 5.574 -0.461 -6.342 1.00 0.63 C ATOM 1310 O ILE A 89 5.806 -1.612 -6.723 1.00 0.66 O ATOM 1311 CB ILE A 89 7.792 0.442 -5.509 1.00 0.78 C ATOM 1312 CG1 ILE A 89 8.844 0.376 -4.373 1.00 0.89 C ATOM 1313 CG2 ILE A 89 7.829 1.815 -6.203 1.00 0.82 C ATOM 1314 CD1 ILE A 89 8.667 1.370 -3.220 1.00 0.93 C ATOM 0 H ILE A 89 6.802 -1.661 -4.119 1.00 0.67 H new ATOM 0 HA ILE A 89 5.838 1.039 -4.827 1.00 0.67 H new ATOM 0 HB ILE A 89 8.099 -0.363 -6.176 1.00 0.78 H new ATOM 0 HG12 ILE A 89 8.836 -0.632 -3.959 1.00 0.89 H new ATOM 0 HG13 ILE A 89 9.830 0.533 -4.811 1.00 0.89 H new ATOM 0 HG21 ILE A 89 8.856 2.058 -6.475 1.00 0.82 H new ATOM 0 HG22 ILE A 89 7.213 1.785 -7.102 1.00 0.82 H new ATOM 0 HG23 ILE A 89 7.443 2.576 -5.525 1.00 0.82 H new ATOM 0 HD11 ILE A 89 9.463 1.226 -2.490 1.00 0.93 H new ATOM 0 HD12 ILE A 89 8.710 2.388 -3.607 1.00 0.93 H new ATOM 0 HD13 ILE A 89 7.702 1.204 -2.742 1.00 0.93 H new ATOM 1326 N ASN A 90 4.710 0.345 -6.967 1.00 0.65 N ATOM 1327 CA ASN A 90 3.929 -0.009 -8.157 1.00 0.67 C ATOM 1328 C ASN A 90 4.613 0.496 -9.444 1.00 0.92 C ATOM 1329 O ASN A 90 4.992 1.663 -9.522 1.00 1.21 O ATOM 1330 CB ASN A 90 2.509 0.561 -7.993 1.00 0.75 C ATOM 1331 CG ASN A 90 1.547 -0.078 -8.956 1.00 1.00 C ATOM 1332 OD1 ASN A 90 1.119 -1.203 -8.776 1.00 1.97 O ATOM 1333 ND2 ASN A 90 1.186 0.584 -10.021 1.00 0.51 N ATOM 0 H ASN A 90 4.529 1.296 -6.647 1.00 0.65 H new ATOM 0 HA ASN A 90 3.868 -1.093 -8.253 1.00 0.67 H new ATOM 0 HB2 ASN A 90 2.166 0.398 -6.971 1.00 0.75 H new ATOM 0 HB3 ASN A 90 2.527 1.639 -8.155 1.00 0.75 H new ATOM 0 HD21 ASN A 90 0.550 0.158 -10.695 1.00 0.51 H new ATOM 0 HD22 ASN A 90 1.540 1.527 -10.179 1.00 0.51 H new ATOM 1340 N GLN A 91 4.752 -0.346 -10.473 1.00 0.91 N ATOM 1341 CA GLN A 91 5.556 -0.030 -11.665 1.00 1.10 C ATOM 1342 C GLN A 91 4.781 0.779 -12.725 1.00 1.95 C ATOM 1343 O GLN A 91 5.030 1.970 -12.914 1.00 3.64 O ATOM 1344 CB GLN A 91 6.147 -1.340 -12.220 1.00 1.20 C ATOM 1345 CG GLN A 91 7.098 -1.134 -13.408 1.00 1.61 C ATOM 1346 CD GLN A 91 8.387 -0.397 -13.041 1.00 1.91 C ATOM 1347 OE1 GLN A 91 8.683 0.686 -13.530 1.00 2.99 O ATOM 1348 NE2 GLN A 91 9.227 -0.938 -12.190 1.00 2.72 N ATOM 0 H GLN A 91 4.312 -1.266 -10.506 1.00 0.91 H new ATOM 0 HA GLN A 91 6.371 0.632 -11.374 1.00 1.10 H new ATOM 0 HB2 GLN A 91 6.683 -1.853 -11.422 1.00 1.20 H new ATOM 0 HB3 GLN A 91 5.331 -1.994 -12.528 1.00 1.20 H new ATOM 0 HG2 GLN A 91 7.353 -2.106 -13.831 1.00 1.61 H new ATOM 0 HG3 GLN A 91 6.578 -0.574 -14.186 1.00 1.61 H new ATOM 0 HE21 GLN A 91 9.012 -1.839 -11.764 1.00 2.72 H new ATOM 0 HE22 GLN A 91 10.095 -0.457 -11.955 1.00 2.72 H new ATOM 1357 N ASN A 92 3.850 0.131 -13.428 1.00 1.29 N ATOM 1358 CA ASN A 92 2.970 0.680 -14.469 1.00 1.90 C ATOM 1359 C ASN A 92 1.748 -0.245 -14.573 1.00 1.45 C ATOM 1360 O ASN A 92 1.911 -1.457 -14.399 1.00 2.77 O ATOM 1361 CB ASN A 92 3.723 0.721 -15.810 1.00 2.76 C ATOM 1362 CG ASN A 92 2.916 1.438 -16.879 1.00 3.57 C ATOM 1363 OD1 ASN A 92 2.704 2.637 -16.808 1.00 4.68 O ATOM 1364 ND2 ASN A 92 2.370 0.743 -17.849 1.00 3.36 N ATOM 0 H ASN A 92 3.677 -0.863 -13.276 1.00 1.29 H new ATOM 0 HA ASN A 92 2.657 1.695 -14.222 1.00 1.90 H new ATOM 0 HB2 ASN A 92 4.680 1.225 -15.676 1.00 2.76 H new ATOM 0 HB3 ASN A 92 3.941 -0.296 -16.138 1.00 2.76 H new ATOM 0 HD21 ASN A 92 1.774 1.206 -18.535 1.00 3.36 H new ATOM 0 HD22 ASN A 92 2.541 -0.260 -17.917 1.00 3.36 H new ATOM 1371 N GLY A 93 0.536 0.262 -14.803 1.00 1.23 N ATOM 1372 CA GLY A 93 -0.684 -0.564 -14.905 1.00 1.56 C ATOM 1373 C GLY A 93 -1.949 -0.055 -14.186 1.00 1.87 C ATOM 1374 O GLY A 93 -2.900 -0.818 -14.034 1.00 3.30 O ATOM 0 H GLY A 93 0.365 1.260 -14.925 1.00 1.23 H new ATOM 0 HA2 GLY A 93 -0.922 -0.683 -15.962 1.00 1.56 H new ATOM 0 HA3 GLY A 93 -0.452 -1.556 -14.517 1.00 1.56 H new ATOM 1378 N SER A 94 -1.946 1.196 -13.709 1.00 1.02 N ATOM 1379 CA SER A 94 -3.087 1.989 -13.199 1.00 1.09 C ATOM 1380 C SER A 94 -4.217 1.216 -12.493 1.00 1.03 C ATOM 1381 O SER A 94 -5.245 0.884 -13.091 1.00 1.33 O ATOM 1382 CB SER A 94 -3.651 2.842 -14.343 1.00 1.55 C ATOM 1383 OG SER A 94 -2.682 3.794 -14.735 1.00 1.80 O ATOM 0 H SER A 94 -1.078 1.729 -13.663 1.00 1.02 H new ATOM 0 HA SER A 94 -2.669 2.599 -12.399 1.00 1.09 H new ATOM 0 HB2 SER A 94 -3.917 2.208 -15.188 1.00 1.55 H new ATOM 0 HB3 SER A 94 -4.563 3.345 -14.022 1.00 1.55 H new ATOM 0 HG SER A 94 -3.037 4.340 -15.467 1.00 1.80 H new ATOM 1389 N LEU A 95 -4.037 0.974 -11.192 1.00 0.82 N ATOM 1390 CA LEU A 95 -4.953 0.198 -10.348 1.00 0.77 C ATOM 1391 C LEU A 95 -5.816 1.066 -9.421 1.00 0.70 C ATOM 1392 O LEU A 95 -5.402 2.156 -9.012 1.00 0.66 O ATOM 1393 CB LEU A 95 -4.134 -0.759 -9.464 1.00 0.66 C ATOM 1394 CG LEU A 95 -3.257 -1.810 -10.140 1.00 0.94 C ATOM 1395 CD1 LEU A 95 -2.477 -2.560 -9.058 1.00 0.81 C ATOM 1396 CD2 LEU A 95 -4.086 -2.800 -10.938 1.00 1.38 C ATOM 0 H LEU A 95 -3.226 1.322 -10.680 1.00 0.82 H new ATOM 0 HA LEU A 95 -5.621 -0.333 -11.026 1.00 0.77 H new ATOM 0 HB2 LEU A 95 -3.491 -0.152 -8.827 1.00 0.66 H new ATOM 0 HB3 LEU A 95 -4.831 -1.282 -8.808 1.00 0.66 H new ATOM 0 HG LEU A 95 -2.581 -1.307 -10.831 1.00 0.94 H new ATOM 0 HD11 LEU A 95 -1.844 -3.316 -9.523 1.00 0.81 H new ATOM 0 HD12 LEU A 95 -1.855 -1.857 -8.504 1.00 0.81 H new ATOM 0 HD13 LEU A 95 -3.175 -3.042 -8.374 1.00 0.81 H new ATOM 0 HD21 LEU A 95 -3.428 -3.533 -11.405 1.00 1.38 H new ATOM 0 HD22 LEU A 95 -4.783 -3.310 -10.273 1.00 1.38 H new ATOM 0 HD23 LEU A 95 -4.643 -2.269 -11.710 1.00 1.38 H new ATOM 1408 N LEU A 96 -6.967 0.522 -9.011 1.00 0.72 N ATOM 1409 CA LEU A 96 -7.803 1.063 -7.931 1.00 0.71 C ATOM 1410 C LEU A 96 -7.733 0.161 -6.696 1.00 0.63 C ATOM 1411 O LEU A 96 -8.030 -1.035 -6.774 1.00 0.71 O ATOM 1412 CB LEU A 96 -9.260 1.266 -8.389 1.00 0.97 C ATOM 1413 CG LEU A 96 -9.438 2.418 -9.393 1.00 1.11 C ATOM 1414 CD1 LEU A 96 -10.890 2.579 -9.824 1.00 2.54 C ATOM 1415 CD2 LEU A 96 -9.035 3.747 -8.764 1.00 2.16 C ATOM 0 H LEU A 96 -7.353 -0.325 -9.429 1.00 0.72 H new ATOM 0 HA LEU A 96 -7.410 2.044 -7.663 1.00 0.71 H new ATOM 0 HB2 LEU A 96 -9.621 0.342 -8.841 1.00 0.97 H new ATOM 0 HB3 LEU A 96 -9.883 1.458 -7.515 1.00 0.97 H new ATOM 0 HG LEU A 96 -8.811 2.168 -10.249 1.00 1.11 H new ATOM 0 HD11 LEU A 96 -10.970 3.403 -10.533 1.00 2.54 H new ATOM 0 HD12 LEU A 96 -11.233 1.659 -10.297 1.00 2.54 H new ATOM 0 HD13 LEU A 96 -11.507 2.790 -8.951 1.00 2.54 H new ATOM 0 HD21 LEU A 96 -9.168 4.549 -9.490 1.00 2.16 H new ATOM 0 HD22 LEU A 96 -9.659 3.941 -7.891 1.00 2.16 H new ATOM 0 HD23 LEU A 96 -7.989 3.703 -8.460 1.00 2.16 H new ATOM 1427 N ILE A 97 -7.348 0.749 -5.562 1.00 0.52 N ATOM 1428 CA ILE A 97 -7.152 0.072 -4.276 1.00 0.54 C ATOM 1429 C ILE A 97 -8.202 0.565 -3.271 1.00 0.54 C ATOM 1430 O ILE A 97 -8.287 1.765 -3.010 1.00 0.49 O ATOM 1431 CB ILE A 97 -5.732 0.341 -3.706 1.00 0.56 C ATOM 1432 CG1 ILE A 97 -4.593 0.560 -4.730 1.00 0.87 C ATOM 1433 CG2 ILE A 97 -5.374 -0.762 -2.695 1.00 0.63 C ATOM 1434 CD1 ILE A 97 -4.247 -0.645 -5.604 1.00 1.50 C ATOM 0 H ILE A 97 -7.156 1.750 -5.511 1.00 0.52 H new ATOM 0 HA ILE A 97 -7.260 -1.000 -4.438 1.00 0.54 H new ATOM 0 HB ILE A 97 -5.803 1.315 -3.222 1.00 0.56 H new ATOM 0 HG12 ILE A 97 -4.869 1.390 -5.380 1.00 0.87 H new ATOM 0 HG13 ILE A 97 -3.696 0.863 -4.189 1.00 0.87 H new ATOM 0 HG21 ILE A 97 -4.378 -0.577 -2.292 1.00 0.63 H new ATOM 0 HG22 ILE A 97 -6.100 -0.760 -1.882 1.00 0.63 H new ATOM 0 HG23 ILE A 97 -5.390 -1.731 -3.193 1.00 0.63 H new ATOM 0 HD11 ILE A 97 -3.437 -0.381 -6.284 1.00 1.50 H new ATOM 0 HD12 ILE A 97 -3.933 -1.475 -4.971 1.00 1.50 H new ATOM 0 HD13 ILE A 97 -5.124 -0.940 -6.181 1.00 1.50 H new ATOM 1446 N CYS A 98 -8.979 -0.332 -2.667 1.00 0.63 N ATOM 1447 CA CYS A 98 -9.830 0.018 -1.530 1.00 0.70 C ATOM 1448 C CYS A 98 -8.997 0.000 -0.238 1.00 0.78 C ATOM 1449 O CYS A 98 -8.391 -1.014 0.121 1.00 0.93 O ATOM 1450 CB CYS A 98 -11.096 -0.859 -1.494 1.00 0.84 C ATOM 1451 SG CYS A 98 -10.744 -2.630 -1.302 1.00 1.77 S ATOM 0 H CYS A 98 -9.037 -1.311 -2.947 1.00 0.63 H new ATOM 0 HA CYS A 98 -10.205 1.036 -1.637 1.00 0.70 H new ATOM 0 HB2 CYS A 98 -11.732 -0.532 -0.672 1.00 0.84 H new ATOM 0 HB3 CYS A 98 -11.661 -0.706 -2.414 1.00 0.84 H new ATOM 0 HG CYS A 98 -9.701 -2.945 -2.012 1.00 1.77 H new ATOM 1457 N ALA A 99 -8.923 1.136 0.458 1.00 0.76 N ATOM 1458 CA ALA A 99 -8.258 1.239 1.750 1.00 0.85 C ATOM 1459 C ALA A 99 -9.188 0.697 2.842 1.00 0.91 C ATOM 1460 O ALA A 99 -10.255 1.261 3.083 1.00 1.05 O ATOM 1461 CB ALA A 99 -7.878 2.709 1.988 1.00 0.84 C ATOM 0 H ALA A 99 -9.327 2.015 0.135 1.00 0.76 H new ATOM 0 HA ALA A 99 -7.345 0.643 1.772 1.00 0.85 H new ATOM 0 HB1 ALA A 99 -7.379 2.804 2.952 1.00 0.84 H new ATOM 0 HB2 ALA A 99 -7.207 3.044 1.197 1.00 0.84 H new ATOM 0 HB3 ALA A 99 -8.779 3.323 1.984 1.00 0.84 H new ATOM 1467 N THR A 100 -8.790 -0.397 3.489 1.00 0.87 N ATOM 1468 CA THR A 100 -9.592 -1.113 4.504 1.00 0.91 C ATOM 1469 C THR A 100 -8.927 -1.167 5.881 1.00 0.84 C ATOM 1470 O THR A 100 -9.468 -1.781 6.807 1.00 0.84 O ATOM 1471 CB THR A 100 -9.925 -2.529 4.004 1.00 1.04 C ATOM 1472 OG1 THR A 100 -8.746 -3.182 3.586 1.00 2.08 O ATOM 1473 CG2 THR A 100 -10.871 -2.499 2.806 1.00 1.85 C ATOM 0 H THR A 100 -7.880 -0.828 3.325 1.00 0.87 H new ATOM 0 HA THR A 100 -10.511 -0.543 4.639 1.00 0.91 H new ATOM 0 HB THR A 100 -10.400 -3.053 4.834 1.00 1.04 H new ATOM 0 HG1 THR A 100 -8.966 -4.084 3.271 1.00 2.08 H new ATOM 0 HG21 THR A 100 -11.082 -3.519 2.483 1.00 1.85 H new ATOM 0 HG22 THR A 100 -11.802 -2.009 3.090 1.00 1.85 H new ATOM 0 HG23 THR A 100 -10.406 -1.948 1.989 1.00 1.85 H new ATOM 1481 N HIS A 101 -7.796 -0.469 6.043 1.00 0.83 N ATOM 1482 CA HIS A 101 -7.062 -0.296 7.296 1.00 0.83 C ATOM 1483 C HIS A 101 -6.378 1.083 7.329 1.00 0.85 C ATOM 1484 O HIS A 101 -5.913 1.551 6.288 1.00 0.84 O ATOM 1485 CB HIS A 101 -5.961 -1.372 7.418 1.00 0.88 C ATOM 1486 CG HIS A 101 -6.382 -2.768 7.034 1.00 1.00 C ATOM 1487 ND1 HIS A 101 -6.367 -3.289 5.760 1.00 1.31 N ATOM 1488 CD2 HIS A 101 -6.886 -3.733 7.860 1.00 1.24 C ATOM 1489 CE1 HIS A 101 -6.887 -4.524 5.798 1.00 1.58 C ATOM 1490 NE2 HIS A 101 -7.171 -4.860 7.070 1.00 1.51 N ATOM 0 H HIS A 101 -7.349 0.013 5.263 1.00 0.83 H new ATOM 0 HA HIS A 101 -7.773 -0.383 8.117 1.00 0.83 H new ATOM 0 HB2 HIS A 101 -5.118 -1.079 6.792 1.00 0.88 H new ATOM 0 HB3 HIS A 101 -5.603 -1.388 8.448 1.00 0.88 H new ATOM 0 HD1 HIS A 101 -6.019 -2.815 4.927 1.00 1.31 H new ATOM 0 HD2 HIS A 101 -7.038 -3.646 8.926 1.00 1.24 H new ATOM 0 HE1 HIS A 101 -7.053 -5.155 4.937 1.00 1.58 H new ATOM 1498 N VAL A 102 -6.277 1.721 8.500 1.00 0.93 N ATOM 1499 CA VAL A 102 -5.369 2.875 8.699 1.00 1.04 C ATOM 1500 C VAL A 102 -3.964 2.348 9.011 1.00 1.07 C ATOM 1501 O VAL A 102 -3.820 1.198 9.428 1.00 1.05 O ATOM 1502 CB VAL A 102 -5.853 3.878 9.761 1.00 1.25 C ATOM 1503 CG1 VAL A 102 -7.065 4.644 9.228 1.00 1.56 C ATOM 1504 CG2 VAL A 102 -6.190 3.242 11.112 1.00 1.73 C ATOM 0 H VAL A 102 -6.810 1.463 9.330 1.00 0.93 H new ATOM 0 HA VAL A 102 -5.356 3.449 7.773 1.00 1.04 H new ATOM 0 HB VAL A 102 -5.019 4.555 9.947 1.00 1.25 H new ATOM 0 HG11 VAL A 102 -7.407 5.354 9.981 1.00 1.56 H new ATOM 0 HG12 VAL A 102 -6.786 5.182 8.322 1.00 1.56 H new ATOM 0 HG13 VAL A 102 -7.867 3.942 9.000 1.00 1.56 H new ATOM 0 HG21 VAL A 102 -6.523 4.015 11.805 1.00 1.73 H new ATOM 0 HG22 VAL A 102 -6.984 2.506 10.980 1.00 1.73 H new ATOM 0 HG23 VAL A 102 -5.304 2.751 11.514 1.00 1.73 H new ATOM 1514 N GLY A 103 -2.912 3.150 8.826 1.00 1.23 N ATOM 1515 CA GLY A 103 -1.517 2.673 8.869 1.00 1.38 C ATOM 1516 C GLY A 103 -1.119 1.959 10.164 1.00 1.46 C ATOM 1517 O GLY A 103 -0.465 0.913 10.109 1.00 1.54 O ATOM 0 H GLY A 103 -2.998 4.150 8.642 1.00 1.23 H new ATOM 0 HA2 GLY A 103 -1.355 1.994 8.032 1.00 1.38 H new ATOM 0 HA3 GLY A 103 -0.853 3.524 8.722 1.00 1.38 H new ATOM 1521 N ALA A 104 -1.586 2.435 11.319 1.00 1.56 N ATOM 1522 CA ALA A 104 -1.383 1.771 12.607 1.00 1.66 C ATOM 1523 C ALA A 104 -2.061 0.387 12.680 1.00 1.41 C ATOM 1524 O ALA A 104 -1.531 -0.546 13.284 1.00 1.44 O ATOM 1525 CB ALA A 104 -1.915 2.694 13.710 1.00 1.94 C ATOM 0 H ALA A 104 -2.121 3.301 11.387 1.00 1.56 H new ATOM 0 HA ALA A 104 -0.316 1.588 12.738 1.00 1.66 H new ATOM 0 HB1 ALA A 104 -1.774 2.219 14.681 1.00 1.94 H new ATOM 0 HB2 ALA A 104 -1.373 3.639 13.686 1.00 1.94 H new ATOM 0 HB3 ALA A 104 -2.977 2.880 13.548 1.00 1.94 H new ATOM 1531 N ASP A 105 -3.254 0.239 12.100 1.00 1.27 N ATOM 1532 CA ASP A 105 -4.032 -1.007 12.048 1.00 1.21 C ATOM 1533 C ASP A 105 -3.548 -2.043 11.010 1.00 1.08 C ATOM 1534 O ASP A 105 -4.026 -3.181 10.998 1.00 1.24 O ATOM 1535 CB ASP A 105 -5.512 -0.647 11.890 1.00 1.44 C ATOM 1536 CG ASP A 105 -6.475 -1.753 12.332 1.00 1.79 C ATOM 1537 OD1 ASP A 105 -6.141 -2.580 13.216 1.00 2.52 O ATOM 1538 OD2 ASP A 105 -7.627 -1.752 11.840 1.00 2.32 O ATOM 0 H ASP A 105 -3.726 1.014 11.634 1.00 1.27 H new ATOM 0 HA ASP A 105 -3.874 -1.532 12.990 1.00 1.21 H new ATOM 0 HB2 ASP A 105 -5.720 0.253 12.468 1.00 1.44 H new ATOM 0 HB3 ASP A 105 -5.707 -0.407 10.845 1.00 1.44 H new ATOM 1543 N THR A 106 -2.611 -1.669 10.132 1.00 1.01 N ATOM 1544 CA THR A 106 -2.090 -2.551 9.070 1.00 1.12 C ATOM 1545 C THR A 106 -1.340 -3.771 9.609 1.00 1.30 C ATOM 1546 O THR A 106 -0.798 -3.760 10.722 1.00 1.43 O ATOM 1547 CB THR A 106 -1.153 -1.822 8.089 1.00 1.18 C ATOM 1548 OG1 THR A 106 -0.010 -1.331 8.746 1.00 1.66 O ATOM 1549 CG2 THR A 106 -1.824 -0.708 7.299 1.00 1.41 C ATOM 0 H THR A 106 -2.187 -0.741 10.134 1.00 1.01 H new ATOM 0 HA THR A 106 -2.987 -2.881 8.546 1.00 1.12 H new ATOM 0 HB THR A 106 -0.858 -2.578 7.361 1.00 1.18 H new ATOM 0 HG1 THR A 106 -0.212 -0.460 9.147 1.00 1.66 H new ATOM 0 HG21 THR A 106 -1.096 -0.246 6.632 1.00 1.41 H new ATOM 0 HG22 THR A 106 -2.644 -1.121 6.711 1.00 1.41 H new ATOM 0 HG23 THR A 106 -2.213 0.042 7.987 1.00 1.41 H new ATOM 1557 N THR A 107 -1.226 -4.806 8.770 1.00 1.37 N ATOM 1558 CA THR A 107 -0.365 -5.972 9.042 1.00 1.47 C ATOM 1559 C THR A 107 1.126 -5.587 9.050 1.00 1.47 C ATOM 1560 O THR A 107 1.901 -6.114 9.843 1.00 1.49 O ATOM 1561 CB THR A 107 -0.691 -7.124 8.074 1.00 1.70 C ATOM 1562 OG1 THR A 107 -0.111 -8.326 8.520 1.00 1.92 O ATOM 1563 CG2 THR A 107 -0.233 -6.893 6.633 1.00 2.04 C ATOM 0 H THR A 107 -1.726 -4.863 7.883 1.00 1.37 H new ATOM 0 HA THR A 107 -0.580 -6.336 10.047 1.00 1.47 H new ATOM 0 HB THR A 107 -1.780 -7.177 8.070 1.00 1.70 H new ATOM 0 HG1 THR A 107 -0.330 -9.047 7.893 1.00 1.92 H new ATOM 0 HG21 THR A 107 -0.504 -7.754 6.023 1.00 2.04 H new ATOM 0 HG22 THR A 107 -0.717 -6.000 6.236 1.00 2.04 H new ATOM 0 HG23 THR A 107 0.849 -6.759 6.612 1.00 2.04 H new ATOM 1571 N LEU A 108 1.524 -4.559 8.285 1.00 1.47 N ATOM 1572 CA LEU A 108 2.862 -3.961 8.330 1.00 1.45 C ATOM 1573 C LEU A 108 3.209 -3.413 9.726 1.00 1.37 C ATOM 1574 O LEU A 108 4.278 -3.710 10.262 1.00 1.36 O ATOM 1575 CB LEU A 108 2.918 -2.843 7.270 1.00 1.54 C ATOM 1576 CG LEU A 108 4.328 -2.254 7.087 1.00 0.81 C ATOM 1577 CD1 LEU A 108 5.227 -3.242 6.364 1.00 1.65 C ATOM 1578 CD2 LEU A 108 4.272 -1.004 6.225 1.00 0.85 C ATOM 0 H LEU A 108 0.910 -4.113 7.604 1.00 1.47 H new ATOM 0 HA LEU A 108 3.605 -4.729 8.115 1.00 1.45 H new ATOM 0 HB2 LEU A 108 2.569 -3.238 6.316 1.00 1.54 H new ATOM 0 HB3 LEU A 108 2.232 -2.046 7.555 1.00 1.54 H new ATOM 0 HG LEU A 108 4.716 -2.028 8.080 1.00 0.81 H new ATOM 0 HD11 LEU A 108 6.220 -2.809 6.243 1.00 1.65 H new ATOM 0 HD12 LEU A 108 5.300 -4.161 6.946 1.00 1.65 H new ATOM 0 HD13 LEU A 108 4.807 -3.466 5.383 1.00 1.65 H new ATOM 0 HD21 LEU A 108 5.277 -0.599 6.105 1.00 0.85 H new ATOM 0 HD22 LEU A 108 3.863 -1.255 5.246 1.00 0.85 H new ATOM 0 HD23 LEU A 108 3.636 -0.260 6.704 1.00 0.85 H new ATOM 1590 N SER A 109 2.281 -2.675 10.344 1.00 1.36 N ATOM 1591 CA SER A 109 2.419 -2.220 11.733 1.00 1.37 C ATOM 1592 C SER A 109 2.342 -3.376 12.740 1.00 1.40 C ATOM 1593 O SER A 109 2.894 -3.257 13.831 1.00 1.42 O ATOM 1594 CB SER A 109 1.376 -1.149 12.061 1.00 1.45 C ATOM 1595 OG SER A 109 1.748 0.096 11.499 1.00 1.63 O ATOM 0 H SER A 109 1.414 -2.376 9.897 1.00 1.36 H new ATOM 0 HA SER A 109 3.413 -1.783 11.824 1.00 1.37 H new ATOM 0 HB2 SER A 109 0.402 -1.452 11.676 1.00 1.45 H new ATOM 0 HB3 SER A 109 1.275 -1.051 13.142 1.00 1.45 H new ATOM 0 HG SER A 109 1.060 0.388 10.866 1.00 1.63 H new ATOM 1601 N GLN A 110 1.728 -4.518 12.403 1.00 1.44 N ATOM 1602 CA GLN A 110 1.822 -5.717 13.241 1.00 1.49 C ATOM 1603 C GLN A 110 3.217 -6.348 13.187 1.00 1.45 C ATOM 1604 O GLN A 110 3.717 -6.728 14.238 1.00 1.53 O ATOM 1605 CB GLN A 110 0.712 -6.729 12.924 1.00 1.61 C ATOM 1606 CG GLN A 110 0.749 -7.958 13.845 1.00 1.88 C ATOM 1607 CD GLN A 110 0.198 -7.633 15.217 1.00 2.22 C ATOM 1608 OE1 GLN A 110 0.897 -7.535 16.221 1.00 2.38 O ATOM 1609 NE2 GLN A 110 -1.092 -7.426 15.283 1.00 2.50 N ATOM 0 H GLN A 110 1.165 -4.635 11.561 1.00 1.44 H new ATOM 0 HA GLN A 110 1.666 -5.396 14.271 1.00 1.49 H new ATOM 0 HB2 GLN A 110 -0.257 -6.240 13.017 1.00 1.61 H new ATOM 0 HB3 GLN A 110 0.807 -7.054 11.888 1.00 1.61 H new ATOM 0 HG2 GLN A 110 0.169 -8.766 13.400 1.00 1.88 H new ATOM 0 HG3 GLN A 110 1.775 -8.315 13.938 1.00 1.88 H new ATOM 0 HE21 GLN A 110 -1.666 -7.510 14.444 1.00 2.50 H new ATOM 0 HE22 GLN A 110 -1.524 -7.181 16.174 1.00 2.50 H new ATOM 1618 N ILE A 111 3.880 -6.418 12.029 1.00 1.38 N ATOM 1619 CA ILE A 111 5.218 -7.036 11.898 1.00 1.40 C ATOM 1620 C ILE A 111 6.211 -6.398 12.880 1.00 1.37 C ATOM 1621 O ILE A 111 6.853 -7.105 13.663 1.00 1.48 O ATOM 1622 CB ILE A 111 5.721 -6.978 10.433 1.00 1.37 C ATOM 1623 CG1 ILE A 111 4.890 -7.942 9.554 1.00 1.47 C ATOM 1624 CG2 ILE A 111 7.221 -7.326 10.333 1.00 1.41 C ATOM 1625 CD1 ILE A 111 5.095 -7.747 8.045 1.00 1.51 C ATOM 0 H ILE A 111 3.511 -6.050 11.152 1.00 1.38 H new ATOM 0 HA ILE A 111 5.137 -8.091 12.161 1.00 1.40 H new ATOM 0 HB ILE A 111 5.594 -5.957 10.073 1.00 1.37 H new ATOM 0 HG12 ILE A 111 5.148 -8.968 9.815 1.00 1.47 H new ATOM 0 HG13 ILE A 111 3.833 -7.809 9.787 1.00 1.47 H new ATOM 0 HG21 ILE A 111 7.538 -7.275 9.291 1.00 1.41 H new ATOM 0 HG22 ILE A 111 7.800 -6.615 10.923 1.00 1.41 H new ATOM 0 HG23 ILE A 111 7.387 -8.334 10.714 1.00 1.41 H new ATOM 0 HD11 ILE A 111 4.478 -8.460 7.499 1.00 1.51 H new ATOM 0 HD12 ILE A 111 4.809 -6.732 7.767 1.00 1.51 H new ATOM 0 HD13 ILE A 111 6.144 -7.910 7.796 1.00 1.51 H new ATOM 1637 N VAL A 112 6.299 -5.062 12.913 1.00 1.26 N ATOM 1638 CA VAL A 112 7.160 -4.373 13.891 1.00 1.23 C ATOM 1639 C VAL A 112 6.705 -4.577 15.337 1.00 1.43 C ATOM 1640 O VAL A 112 7.567 -4.684 16.205 1.00 1.61 O ATOM 1641 CB VAL A 112 7.338 -2.872 13.597 1.00 1.15 C ATOM 1642 CG1 VAL A 112 8.178 -2.678 12.334 1.00 0.95 C ATOM 1643 CG2 VAL A 112 6.020 -2.107 13.436 1.00 1.35 C ATOM 0 H VAL A 112 5.792 -4.440 12.283 1.00 1.26 H new ATOM 0 HA VAL A 112 8.134 -4.848 13.775 1.00 1.23 H new ATOM 0 HB VAL A 112 7.842 -2.460 14.471 1.00 1.15 H new ATOM 0 HG11 VAL A 112 8.297 -1.613 12.136 1.00 0.95 H new ATOM 0 HG12 VAL A 112 9.159 -3.133 12.476 1.00 0.95 H new ATOM 0 HG13 VAL A 112 7.678 -3.150 11.488 1.00 0.95 H new ATOM 0 HG21 VAL A 112 6.231 -1.057 13.231 1.00 1.35 H new ATOM 0 HG22 VAL A 112 5.452 -2.531 12.608 1.00 1.35 H new ATOM 0 HG23 VAL A 112 5.438 -2.187 14.354 1.00 1.35 H new