USER MOD reduce.3.24.130724 H: found=0, std=0, add=776, rem=0, adj=21 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 62 SER OG : rot 22:sc= 0.803 USER MOD Set 1.2: A 90 ASN : amide:sc= 0.727 K(o=1.5,f=-4.9!) USER MOD Set 2.1: A 16 THR OG1 : rot -16:sc= 0.669 USER MOD Set 2.2: A 31 GLN : amide:sc= 0.755 K(o=1.4,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= 0.00225 X(o=0.0022,f=-0.015) USER MOD Single : A 13 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 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 X(o=0,f=0) USER MOD Single : A 63 MET CE :methyl -178:sc=-0.00236 (180deg=-0.00601) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot -149:sc= 1.02 USER MOD Single : A 74 MET CE :methyl 176:sc= 0 (180deg=-0.0353) USER MOD Single : A 78 LYS NZ :NH3+ 179:sc= 2.42 (180deg=2.36) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot -110:sc= 0.61 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot -62:sc= 1.33 USER MOD Single : A 91 GLN : amide:sc= 0.495 X(o=0.5,f=-0.00038) USER MOD Single : A 92 ASN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 98 CYS SG : rot 30:sc= 0.0093 USER MOD Single : A 100 THR OG1 : rot -39:sc= 0.0698 USER MOD Single : A 101 HIS : no HE2:sc= 0.941 K(o=0.94,f=-4.6!) USER MOD Single : A 106 THR OG1 : rot -65:sc= 1.25 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= -0.0433 X(o=-0.043,f=-0.045) USER MOD ----------------------------------------------------------------- ATOM 27 N ALA A 3 15.895 -4.126 9.541 1.00 2.03 N ATOM 28 CA ALA A 3 14.531 -4.107 9.010 1.00 1.74 C ATOM 29 C ALA A 3 13.584 -3.277 9.903 1.00 1.17 C ATOM 30 O ALA A 3 12.722 -2.568 9.391 1.00 0.97 O ATOM 31 CB ALA A 3 14.051 -5.551 8.852 1.00 2.14 C ATOM 0 HA ALA A 3 14.526 -3.619 8.035 1.00 1.74 H new ATOM 0 HB1 ALA A 3 13.035 -5.556 8.457 1.00 2.14 H new ATOM 0 HB2 ALA A 3 14.710 -6.080 8.164 1.00 2.14 H new ATOM 0 HB3 ALA A 3 14.065 -6.047 9.822 1.00 2.14 H new ATOM 37 N LEU A 4 13.813 -3.283 11.222 1.00 1.10 N ATOM 38 CA LEU A 4 13.059 -2.510 12.216 1.00 0.81 C ATOM 39 C LEU A 4 12.921 -1.015 11.853 1.00 0.90 C ATOM 40 O LEU A 4 11.848 -0.431 12.021 1.00 1.04 O ATOM 41 CB LEU A 4 13.773 -2.661 13.574 1.00 1.06 C ATOM 42 CG LEU A 4 12.938 -2.161 14.767 1.00 1.28 C ATOM 43 CD1 LEU A 4 11.993 -3.253 15.253 1.00 1.40 C ATOM 44 CD2 LEU A 4 13.852 -1.768 15.922 1.00 1.92 C ATOM 0 H LEU A 4 14.554 -3.846 11.641 1.00 1.10 H new ATOM 0 HA LEU A 4 12.043 -2.903 12.252 1.00 0.81 H new ATOM 0 HB2 LEU A 4 14.022 -3.711 13.730 1.00 1.06 H new ATOM 0 HB3 LEU A 4 14.714 -2.111 13.544 1.00 1.06 H new ATOM 0 HG LEU A 4 12.363 -1.297 14.434 1.00 1.28 H new ATOM 0 HD11 LEU A 4 11.411 -2.882 16.096 1.00 1.40 H new ATOM 0 HD12 LEU A 4 11.319 -3.538 14.445 1.00 1.40 H new ATOM 0 HD13 LEU A 4 12.572 -4.122 15.566 1.00 1.40 H new ATOM 0 HD21 LEU A 4 13.249 -1.416 16.759 1.00 1.92 H new ATOM 0 HD22 LEU A 4 14.437 -2.633 16.234 1.00 1.92 H new ATOM 0 HD23 LEU A 4 14.524 -0.973 15.600 1.00 1.92 H new ATOM 56 N ALA A 5 13.989 -0.390 11.345 1.00 1.17 N ATOM 57 CA ALA A 5 13.944 0.971 10.801 1.00 1.44 C ATOM 58 C ALA A 5 13.278 1.041 9.411 1.00 1.22 C ATOM 59 O ALA A 5 12.524 1.970 9.119 1.00 1.28 O ATOM 60 CB ALA A 5 15.373 1.527 10.781 1.00 1.93 C ATOM 0 H ALA A 5 14.914 -0.817 11.300 1.00 1.17 H new ATOM 0 HA ALA A 5 13.315 1.587 11.444 1.00 1.44 H new ATOM 0 HB1 ALA A 5 15.364 2.540 10.379 1.00 1.93 H new ATOM 0 HB2 ALA A 5 15.772 1.542 11.795 1.00 1.93 H new ATOM 0 HB3 ALA A 5 16.001 0.894 10.154 1.00 1.93 H new ATOM 66 N LYS A 6 13.504 0.033 8.555 1.00 1.06 N ATOM 67 CA LYS A 6 12.918 -0.050 7.206 1.00 0.99 C ATOM 68 C LYS A 6 11.387 -0.053 7.230 1.00 0.71 C ATOM 69 O LYS A 6 10.782 0.592 6.379 1.00 0.76 O ATOM 70 CB LYS A 6 13.500 -1.259 6.456 1.00 1.23 C ATOM 71 CG LYS A 6 13.102 -1.263 4.973 1.00 1.59 C ATOM 72 CD LYS A 6 14.060 -2.119 4.134 1.00 2.05 C ATOM 73 CE LYS A 6 13.641 -2.061 2.663 1.00 2.56 C ATOM 74 NZ LYS A 6 14.663 -2.663 1.780 1.00 3.06 N ATOM 0 H LYS A 6 14.106 -0.758 8.782 1.00 1.06 H new ATOM 0 HA LYS A 6 13.193 0.852 6.660 1.00 0.99 H new ATOM 0 HB2 LYS A 6 14.587 -1.248 6.540 1.00 1.23 H new ATOM 0 HB3 LYS A 6 13.153 -2.179 6.927 1.00 1.23 H new ATOM 0 HG2 LYS A 6 12.086 -1.645 4.869 1.00 1.59 H new ATOM 0 HG3 LYS A 6 13.099 -0.241 4.594 1.00 1.59 H new ATOM 0 HD2 LYS A 6 15.082 -1.757 4.247 1.00 2.05 H new ATOM 0 HD3 LYS A 6 14.047 -3.150 4.487 1.00 2.05 H new ATOM 0 HE2 LYS A 6 12.694 -2.585 2.533 1.00 2.56 H new ATOM 0 HE3 LYS A 6 13.474 -1.024 2.373 1.00 2.56 H new ATOM 0 HZ1 LYS A 6 14.345 -2.606 0.791 1.00 3.06 H new ATOM 0 HZ2 LYS A 6 15.560 -2.147 1.885 1.00 3.06 H new ATOM 0 HZ3 LYS A 6 14.804 -3.660 2.041 1.00 3.06 H new ATOM 88 N LEU A 7 10.750 -0.667 8.231 1.00 0.62 N ATOM 89 CA LEU A 7 9.291 -0.602 8.421 1.00 0.87 C ATOM 90 C LEU A 7 8.770 0.843 8.607 1.00 1.09 C ATOM 91 O LEU A 7 7.663 1.158 8.168 1.00 1.36 O ATOM 92 CB LEU A 7 8.877 -1.504 9.603 1.00 0.98 C ATOM 93 CG LEU A 7 8.586 -2.990 9.298 1.00 1.05 C ATOM 94 CD1 LEU A 7 7.549 -3.168 8.190 1.00 1.29 C ATOM 95 CD2 LEU A 7 9.824 -3.778 8.895 1.00 1.00 C ATOM 0 H LEU A 7 11.230 -1.226 8.937 1.00 0.62 H new ATOM 0 HA LEU A 7 8.825 -0.971 7.507 1.00 0.87 H new ATOM 0 HB2 LEU A 7 9.669 -1.463 10.351 1.00 0.98 H new ATOM 0 HB3 LEU A 7 7.985 -1.073 10.059 1.00 0.98 H new ATOM 0 HG LEU A 7 8.202 -3.380 10.241 1.00 1.05 H new ATOM 0 HD11 LEU A 7 7.382 -4.231 8.016 1.00 1.29 H new ATOM 0 HD12 LEU A 7 6.612 -2.698 8.489 1.00 1.29 H new ATOM 0 HD13 LEU A 7 7.912 -2.703 7.274 1.00 1.29 H new ATOM 0 HD21 LEU A 7 9.547 -4.813 8.695 1.00 1.00 H new ATOM 0 HD22 LEU A 7 10.258 -3.339 7.997 1.00 1.00 H new ATOM 0 HD23 LEU A 7 10.554 -3.747 9.704 1.00 1.00 H new ATOM 107 N ILE A 8 9.560 1.739 9.209 1.00 1.22 N ATOM 108 CA ILE A 8 9.265 3.182 9.282 1.00 1.56 C ATOM 109 C ILE A 8 9.448 3.871 7.921 1.00 1.27 C ATOM 110 O ILE A 8 8.622 4.697 7.524 1.00 1.31 O ATOM 111 CB ILE A 8 10.083 3.871 10.398 1.00 2.11 C ATOM 112 CG1 ILE A 8 9.837 3.204 11.770 1.00 2.52 C ATOM 113 CG2 ILE A 8 9.793 5.380 10.463 1.00 2.41 C ATOM 114 CD1 ILE A 8 8.396 3.244 12.297 1.00 2.83 C ATOM 0 H ILE A 8 10.435 1.483 9.667 1.00 1.22 H new ATOM 0 HA ILE A 8 8.213 3.287 9.547 1.00 1.56 H new ATOM 0 HB ILE A 8 11.137 3.746 10.148 1.00 2.11 H new ATOM 0 HG12 ILE A 8 10.148 2.162 11.704 1.00 2.52 H new ATOM 0 HG13 ILE A 8 10.483 3.684 12.505 1.00 2.52 H new ATOM 0 HG21 ILE A 8 10.386 5.830 11.259 1.00 2.41 H new ATOM 0 HG22 ILE A 8 10.054 5.842 9.511 1.00 2.41 H new ATOM 0 HG23 ILE A 8 8.734 5.539 10.665 1.00 2.41 H new ATOM 0 HD11 ILE A 8 8.349 2.746 13.265 1.00 2.83 H new ATOM 0 HD12 ILE A 8 8.077 4.281 12.407 1.00 2.83 H new ATOM 0 HD13 ILE A 8 7.737 2.734 11.594 1.00 2.83 H new ATOM 126 N SER A 9 10.484 3.516 7.155 1.00 1.13 N ATOM 127 CA SER A 9 10.702 4.069 5.810 1.00 1.16 C ATOM 128 C SER A 9 9.699 3.569 4.763 1.00 0.97 C ATOM 129 O SER A 9 9.439 4.269 3.787 1.00 1.17 O ATOM 130 CB SER A 9 12.128 3.793 5.331 1.00 1.50 C ATOM 131 OG SER A 9 13.089 4.377 6.193 1.00 1.91 O ATOM 0 H SER A 9 11.192 2.842 7.445 1.00 1.13 H new ATOM 0 HA SER A 9 10.544 5.143 5.909 1.00 1.16 H new ATOM 0 HB2 SER A 9 12.293 2.717 5.277 1.00 1.50 H new ATOM 0 HB3 SER A 9 12.256 4.186 4.322 1.00 1.50 H new ATOM 0 HG SER A 9 13.989 4.181 5.860 1.00 1.91 H new ATOM 137 N LEU A 10 9.082 2.403 4.973 1.00 0.89 N ATOM 138 CA LEU A 10 8.011 1.853 4.136 1.00 1.25 C ATOM 139 C LEU A 10 6.660 2.572 4.313 1.00 1.44 C ATOM 140 O LEU A 10 5.809 2.486 3.423 1.00 1.84 O ATOM 141 CB LEU A 10 7.888 0.351 4.458 1.00 1.44 C ATOM 142 CG LEU A 10 9.004 -0.501 3.825 1.00 1.57 C ATOM 143 CD1 LEU A 10 9.119 -1.850 4.529 1.00 2.40 C ATOM 144 CD2 LEU A 10 8.701 -0.799 2.359 1.00 1.29 C ATOM 0 H LEU A 10 9.322 1.795 5.756 1.00 0.89 H new ATOM 0 HA LEU A 10 8.276 2.008 3.090 1.00 1.25 H new ATOM 0 HB2 LEU A 10 7.906 0.216 5.539 1.00 1.44 H new ATOM 0 HB3 LEU A 10 6.921 -0.011 4.108 1.00 1.44 H new ATOM 0 HG LEU A 10 9.927 0.071 3.921 1.00 1.57 H new ATOM 0 HD11 LEU A 10 9.913 -2.436 4.066 1.00 2.40 H new ATOM 0 HD12 LEU A 10 9.352 -1.692 5.582 1.00 2.40 H new ATOM 0 HD13 LEU A 10 8.175 -2.387 4.443 1.00 2.40 H new ATOM 0 HD21 LEU A 10 9.505 -1.402 1.937 1.00 1.29 H new ATOM 0 HD22 LEU A 10 7.761 -1.345 2.286 1.00 1.29 H new ATOM 0 HD23 LEU A 10 8.621 0.137 1.806 1.00 1.29 H new ATOM 156 N GLN A 11 6.449 3.276 5.433 1.00 1.34 N ATOM 157 CA GLN A 11 5.182 3.941 5.763 1.00 1.69 C ATOM 158 C GLN A 11 5.055 5.344 5.153 1.00 1.77 C ATOM 159 O GLN A 11 6.021 6.110 5.089 1.00 1.62 O ATOM 160 CB GLN A 11 4.962 3.975 7.278 1.00 1.87 C ATOM 161 CG GLN A 11 4.424 2.626 7.768 1.00 1.80 C ATOM 162 CD GLN A 11 4.166 2.679 9.258 1.00 2.11 C ATOM 163 OE1 GLN A 11 3.105 3.089 9.715 1.00 2.37 O ATOM 164 NE2 GLN A 11 5.145 2.332 10.053 1.00 2.92 N ATOM 0 H GLN A 11 7.166 3.401 6.147 1.00 1.34 H new ATOM 0 HA GLN A 11 4.393 3.342 5.308 1.00 1.69 H new ATOM 0 HB2 GLN A 11 5.900 4.205 7.783 1.00 1.87 H new ATOM 0 HB3 GLN A 11 4.259 4.769 7.533 1.00 1.87 H new ATOM 0 HG2 GLN A 11 3.503 2.380 7.240 1.00 1.80 H new ATOM 0 HG3 GLN A 11 5.141 1.836 7.543 1.00 1.80 H new ATOM 0 HE21 GLN A 11 6.024 1.992 9.662 1.00 2.92 H new ATOM 0 HE22 GLN A 11 5.030 2.401 11.064 1.00 2.92 H new ATOM 173 N ALA A 12 3.837 5.684 4.735 1.00 2.13 N ATOM 174 CA ALA A 12 3.477 6.944 4.091 1.00 2.29 C ATOM 175 C ALA A 12 2.987 8.039 5.056 1.00 2.44 C ATOM 176 O ALA A 12 2.613 7.758 6.195 1.00 3.15 O ATOM 177 CB ALA A 12 2.380 6.621 3.073 1.00 2.50 C ATOM 0 H ALA A 12 3.038 5.059 4.841 1.00 2.13 H new ATOM 0 HA ALA A 12 4.375 7.357 3.632 1.00 2.29 H new ATOM 0 HB1 ALA A 12 2.076 7.535 2.563 1.00 2.50 H new ATOM 0 HB2 ALA A 12 2.760 5.907 2.342 1.00 2.50 H new ATOM 0 HB3 ALA A 12 1.521 6.190 3.588 1.00 2.50 H new ATOM 183 N THR A 13 2.932 9.279 4.561 1.00 2.15 N ATOM 184 CA THR A 13 2.278 10.423 5.243 1.00 2.20 C ATOM 185 C THR A 13 1.141 11.049 4.414 1.00 1.88 C ATOM 186 O THR A 13 0.406 11.912 4.895 1.00 1.75 O ATOM 187 CB THR A 13 3.315 11.473 5.681 1.00 2.64 C ATOM 188 OG1 THR A 13 4.344 10.839 6.403 1.00 3.59 O ATOM 189 CG2 THR A 13 2.766 12.532 6.636 1.00 3.18 C ATOM 0 H THR A 13 3.344 9.530 3.662 1.00 2.15 H new ATOM 0 HA THR A 13 1.805 10.024 6.140 1.00 2.20 H new ATOM 0 HB THR A 13 3.642 11.949 4.757 1.00 2.64 H new ATOM 0 HG1 THR A 13 5.007 11.505 6.682 1.00 3.59 H new ATOM 0 HG21 THR A 13 3.559 13.233 6.896 1.00 3.18 H new ATOM 0 HG22 THR A 13 1.950 13.070 6.153 1.00 3.18 H new ATOM 0 HG23 THR A 13 2.397 12.050 7.541 1.00 3.18 H new ATOM 197 N GLU A 14 0.949 10.612 3.168 1.00 1.80 N ATOM 198 CA GLU A 14 -0.034 11.167 2.228 1.00 1.53 C ATOM 199 C GLU A 14 -0.715 10.102 1.340 1.00 1.48 C ATOM 200 O GLU A 14 -0.144 9.032 1.111 1.00 1.64 O ATOM 201 CB GLU A 14 0.650 12.265 1.394 1.00 1.51 C ATOM 202 CG GLU A 14 1.869 11.747 0.609 1.00 1.87 C ATOM 203 CD GLU A 14 2.489 12.801 -0.310 1.00 1.79 C ATOM 204 OE1 GLU A 14 2.915 13.888 0.148 1.00 2.79 O ATOM 205 OE2 GLU A 14 2.547 12.562 -1.537 1.00 2.34 O ATOM 0 H GLU A 14 1.486 9.841 2.771 1.00 1.80 H new ATOM 0 HA GLU A 14 -0.851 11.597 2.807 1.00 1.53 H new ATOM 0 HB2 GLU A 14 -0.073 12.688 0.696 1.00 1.51 H new ATOM 0 HB3 GLU A 14 0.966 13.073 2.054 1.00 1.51 H new ATOM 0 HG2 GLU A 14 2.625 11.399 1.313 1.00 1.87 H new ATOM 0 HG3 GLU A 14 1.569 10.886 0.012 1.00 1.87 H new ATOM 212 N ALA A 15 -1.926 10.390 0.843 1.00 1.28 N ATOM 213 CA ALA A 15 -2.714 9.534 -0.058 1.00 1.19 C ATOM 214 C ALA A 15 -3.496 10.339 -1.129 1.00 1.04 C ATOM 215 O ALA A 15 -3.720 11.534 -0.951 1.00 1.05 O ATOM 216 CB ALA A 15 -3.660 8.680 0.800 1.00 1.16 C ATOM 0 H ALA A 15 -2.404 11.263 1.067 1.00 1.28 H new ATOM 0 HA ALA A 15 -2.031 8.897 -0.620 1.00 1.19 H new ATOM 0 HB1 ALA A 15 -4.256 8.036 0.153 1.00 1.16 H new ATOM 0 HB2 ALA A 15 -3.075 8.066 1.485 1.00 1.16 H new ATOM 0 HB3 ALA A 15 -4.321 9.332 1.371 1.00 1.16 H new ATOM 222 N THR A 16 -3.951 9.685 -2.209 1.00 0.98 N ATOM 223 CA THR A 16 -4.712 10.314 -3.318 1.00 0.86 C ATOM 224 C THR A 16 -6.053 9.615 -3.592 1.00 0.60 C ATOM 225 O THR A 16 -6.080 8.491 -4.085 1.00 0.68 O ATOM 226 CB THR A 16 -3.873 10.382 -4.607 1.00 1.15 C ATOM 227 OG1 THR A 16 -2.710 11.151 -4.392 1.00 1.42 O ATOM 228 CG2 THR A 16 -4.608 11.051 -5.771 1.00 1.12 C ATOM 0 H THR A 16 -3.801 8.685 -2.346 1.00 0.98 H new ATOM 0 HA THR A 16 -4.937 11.329 -2.991 1.00 0.86 H new ATOM 0 HB THR A 16 -3.651 9.345 -4.860 1.00 1.15 H new ATOM 0 HG1 THR A 16 -2.813 11.677 -3.571 1.00 1.42 H new ATOM 0 HG21 THR A 16 -3.962 11.067 -6.649 1.00 1.12 H new ATOM 0 HG22 THR A 16 -5.515 10.491 -5.998 1.00 1.12 H new ATOM 0 HG23 THR A 16 -4.871 12.072 -5.496 1.00 1.12 H new ATOM 236 N ILE A 17 -7.179 10.282 -3.313 1.00 0.40 N ATOM 237 CA ILE A 17 -8.537 9.721 -3.421 1.00 0.45 C ATOM 238 C ILE A 17 -9.171 10.106 -4.766 1.00 0.59 C ATOM 239 O ILE A 17 -9.155 11.280 -5.140 1.00 0.60 O ATOM 240 CB ILE A 17 -9.424 10.152 -2.222 1.00 0.49 C ATOM 241 CG1 ILE A 17 -8.685 10.042 -0.862 1.00 0.48 C ATOM 242 CG2 ILE A 17 -10.715 9.311 -2.240 1.00 0.74 C ATOM 243 CD1 ILE A 17 -9.536 10.390 0.367 1.00 0.69 C ATOM 0 H ILE A 17 -7.174 11.252 -2.998 1.00 0.40 H new ATOM 0 HA ILE A 17 -8.462 8.634 -3.385 1.00 0.45 H new ATOM 0 HB ILE A 17 -9.672 11.208 -2.331 1.00 0.49 H new ATOM 0 HG12 ILE A 17 -8.311 9.024 -0.750 1.00 0.48 H new ATOM 0 HG13 ILE A 17 -7.817 10.701 -0.883 1.00 0.48 H new ATOM 0 HG21 ILE A 17 -11.350 9.601 -1.403 1.00 0.74 H new ATOM 0 HG22 ILE A 17 -11.247 9.481 -3.176 1.00 0.74 H new ATOM 0 HG23 ILE A 17 -10.462 8.254 -2.154 1.00 0.74 H new ATOM 0 HD11 ILE A 17 -8.933 10.284 1.269 1.00 0.69 H new ATOM 0 HD12 ILE A 17 -9.889 11.418 0.286 1.00 0.69 H new ATOM 0 HD13 ILE A 17 -10.391 9.716 0.420 1.00 0.69 H new ATOM 255 N VAL A 18 -9.778 9.149 -5.478 1.00 0.81 N ATOM 256 CA VAL A 18 -10.385 9.335 -6.812 1.00 1.11 C ATOM 257 C VAL A 18 -11.841 8.848 -6.816 1.00 1.48 C ATOM 258 O VAL A 18 -12.126 7.661 -6.650 1.00 1.99 O ATOM 259 CB VAL A 18 -9.537 8.643 -7.900 1.00 1.55 C ATOM 260 CG1 VAL A 18 -10.121 8.853 -9.304 1.00 1.77 C ATOM 261 CG2 VAL A 18 -8.092 9.166 -7.882 1.00 2.65 C ATOM 0 H VAL A 18 -9.866 8.192 -5.136 1.00 0.81 H new ATOM 0 HA VAL A 18 -10.399 10.400 -7.045 1.00 1.11 H new ATOM 0 HB VAL A 18 -9.549 7.577 -7.672 1.00 1.55 H new ATOM 0 HG11 VAL A 18 -9.493 8.349 -10.039 1.00 1.77 H new ATOM 0 HG12 VAL A 18 -11.129 8.440 -9.344 1.00 1.77 H new ATOM 0 HG13 VAL A 18 -10.157 9.919 -9.527 1.00 1.77 H new ATOM 0 HG21 VAL A 18 -7.514 8.664 -8.657 1.00 2.65 H new ATOM 0 HG22 VAL A 18 -8.091 10.240 -8.067 1.00 2.65 H new ATOM 0 HG23 VAL A 18 -7.645 8.966 -6.908 1.00 2.65 H new ATOM 271 N THR A 19 -12.771 9.784 -7.018 1.00 1.35 N ATOM 272 CA THR A 19 -14.220 9.582 -6.847 1.00 1.72 C ATOM 273 C THR A 19 -14.989 10.156 -8.044 1.00 1.64 C ATOM 274 O THR A 19 -14.552 11.130 -8.659 1.00 1.38 O ATOM 275 CB THR A 19 -14.706 10.220 -5.526 1.00 1.88 C ATOM 276 OG1 THR A 19 -13.824 9.945 -4.450 1.00 2.07 O ATOM 277 CG2 THR A 19 -16.071 9.698 -5.086 1.00 2.59 C ATOM 0 H THR A 19 -12.535 10.731 -7.313 1.00 1.35 H new ATOM 0 HA THR A 19 -14.415 8.511 -6.799 1.00 1.72 H new ATOM 0 HB THR A 19 -14.753 11.287 -5.742 1.00 1.88 H new ATOM 0 HG1 THR A 19 -14.164 10.366 -3.633 1.00 2.07 H new ATOM 0 HG21 THR A 19 -16.362 10.181 -4.153 1.00 2.59 H new ATOM 0 HG22 THR A 19 -16.811 9.920 -5.855 1.00 2.59 H new ATOM 0 HG23 THR A 19 -16.017 8.620 -4.935 1.00 2.59 H new ATOM 391 N LEU A 27 -14.638 12.810 -13.257 1.00 2.19 N ATOM 392 CA LEU A 27 -13.645 12.433 -12.251 1.00 1.87 C ATOM 393 C LEU A 27 -13.359 13.616 -11.310 1.00 1.49 C ATOM 394 O LEU A 27 -13.068 14.723 -11.775 1.00 1.88 O ATOM 395 CB LEU A 27 -12.336 11.945 -12.915 1.00 2.44 C ATOM 396 CG LEU A 27 -12.371 10.773 -13.921 1.00 3.13 C ATOM 397 CD1 LEU A 27 -13.251 9.612 -13.474 1.00 2.74 C ATOM 398 CD2 LEU A 27 -12.795 11.171 -15.338 1.00 4.10 C ATOM 0 HA LEU A 27 -14.054 11.609 -11.666 1.00 1.87 H new ATOM 0 HB2 LEU A 27 -11.894 12.799 -13.428 1.00 2.44 H new ATOM 0 HB3 LEU A 27 -11.651 11.665 -12.115 1.00 2.44 H new ATOM 0 HG LEU A 27 -11.330 10.452 -13.945 1.00 3.13 H new ATOM 0 HD11 LEU A 27 -13.228 8.826 -14.229 1.00 2.74 H new ATOM 0 HD12 LEU A 27 -12.880 9.218 -12.528 1.00 2.74 H new ATOM 0 HD13 LEU A 27 -14.276 9.961 -13.345 1.00 2.74 H new ATOM 0 HD21 LEU A 27 -12.793 10.290 -15.979 1.00 4.10 H new ATOM 0 HD22 LEU A 27 -13.798 11.598 -15.311 1.00 4.10 H new ATOM 0 HD23 LEU A 27 -12.097 11.909 -15.733 1.00 4.10 H new ATOM 410 N SER A 28 -13.370 13.386 -9.999 1.00 1.08 N ATOM 411 CA SER A 28 -12.969 14.360 -8.974 1.00 1.04 C ATOM 412 C SER A 28 -11.916 13.730 -8.063 1.00 0.91 C ATOM 413 O SER A 28 -12.153 12.695 -7.435 1.00 0.95 O ATOM 414 CB SER A 28 -14.206 14.827 -8.200 1.00 1.18 C ATOM 415 OG SER A 28 -13.856 15.769 -7.199 1.00 1.61 O ATOM 0 H SER A 28 -13.666 12.493 -9.604 1.00 1.08 H new ATOM 0 HA SER A 28 -12.522 15.240 -9.436 1.00 1.04 H new ATOM 0 HB2 SER A 28 -14.923 15.273 -8.889 1.00 1.18 H new ATOM 0 HB3 SER A 28 -14.697 13.969 -7.741 1.00 1.18 H new ATOM 0 HG SER A 28 -14.663 16.053 -6.720 1.00 1.61 H new ATOM 421 N GLU A 29 -10.721 14.320 -7.998 1.00 0.95 N ATOM 422 CA GLU A 29 -9.563 13.765 -7.290 1.00 0.84 C ATOM 423 C GLU A 29 -9.115 14.692 -6.147 1.00 0.82 C ATOM 424 O GLU A 29 -9.356 15.902 -6.186 1.00 1.10 O ATOM 425 CB GLU A 29 -8.403 13.470 -8.260 1.00 1.03 C ATOM 426 CG GLU A 29 -8.784 12.597 -9.477 1.00 1.12 C ATOM 427 CD GLU A 29 -8.811 13.350 -10.819 1.00 1.86 C ATOM 428 OE1 GLU A 29 -9.111 14.570 -10.861 1.00 3.24 O ATOM 429 OE2 GLU A 29 -8.479 12.733 -11.863 1.00 2.16 O ATOM 0 H GLU A 29 -10.526 15.216 -8.445 1.00 0.95 H new ATOM 0 HA GLU A 29 -9.868 12.817 -6.847 1.00 0.84 H new ATOM 0 HB2 GLU A 29 -8.000 14.416 -8.621 1.00 1.03 H new ATOM 0 HB3 GLU A 29 -7.605 12.973 -7.709 1.00 1.03 H new ATOM 0 HG2 GLU A 29 -8.076 11.772 -9.552 1.00 1.12 H new ATOM 0 HG3 GLU A 29 -9.766 12.159 -9.301 1.00 1.12 H new ATOM 436 N GLU A 30 -8.503 14.116 -5.112 1.00 0.69 N ATOM 437 CA GLU A 30 -8.050 14.796 -3.888 1.00 0.68 C ATOM 438 C GLU A 30 -6.713 14.227 -3.401 1.00 0.63 C ATOM 439 O GLU A 30 -6.568 13.007 -3.356 1.00 0.53 O ATOM 440 CB GLU A 30 -9.071 14.560 -2.758 1.00 0.68 C ATOM 441 CG GLU A 30 -10.486 15.100 -3.001 1.00 0.89 C ATOM 442 CD GLU A 30 -10.627 16.589 -2.666 1.00 1.75 C ATOM 443 OE1 GLU A 30 -9.697 17.394 -2.928 1.00 2.93 O ATOM 444 OE2 GLU A 30 -11.669 16.962 -2.072 1.00 2.35 O ATOM 0 H GLU A 30 -8.298 13.117 -5.099 1.00 0.69 H new ATOM 0 HA GLU A 30 -7.945 15.855 -4.123 1.00 0.68 H new ATOM 0 HB2 GLU A 30 -9.140 13.487 -2.577 1.00 0.68 H new ATOM 0 HB3 GLU A 30 -8.683 15.013 -1.846 1.00 0.68 H new ATOM 0 HG2 GLU A 30 -10.754 14.942 -4.045 1.00 0.89 H new ATOM 0 HG3 GLU A 30 -11.194 14.530 -2.400 1.00 0.89 H new ATOM 451 N GLN A 31 -5.769 15.061 -2.952 1.00 0.84 N ATOM 452 CA GLN A 31 -4.565 14.596 -2.238 1.00 0.94 C ATOM 453 C GLN A 31 -4.666 14.976 -0.751 1.00 0.94 C ATOM 454 O GLN A 31 -4.994 16.115 -0.421 1.00 0.99 O ATOM 455 CB GLN A 31 -3.273 15.097 -2.904 1.00 1.14 C ATOM 456 CG GLN A 31 -3.218 14.779 -4.401 1.00 1.18 C ATOM 457 CD GLN A 31 -1.788 14.799 -4.853 1.00 1.39 C ATOM 458 OE1 GLN A 31 -1.143 15.828 -5.017 1.00 1.94 O ATOM 459 NE2 GLN A 31 -1.202 13.638 -4.837 1.00 1.44 N ATOM 0 H GLN A 31 -5.813 16.073 -3.070 1.00 0.84 H new ATOM 0 HA GLN A 31 -4.514 13.509 -2.299 1.00 0.94 H new ATOM 0 HB2 GLN A 31 -3.190 16.175 -2.762 1.00 1.14 H new ATOM 0 HB3 GLN A 31 -2.414 14.644 -2.409 1.00 1.14 H new ATOM 0 HG2 GLN A 31 -3.660 13.802 -4.595 1.00 1.18 H new ATOM 0 HG3 GLN A 31 -3.800 15.509 -4.963 1.00 1.18 H new ATOM 0 HE21 GLN A 31 -1.753 12.791 -4.699 1.00 1.44 H new ATOM 0 HE22 GLN A 31 -0.192 13.575 -4.962 1.00 1.44 H new ATOM 468 N VAL A 32 -4.427 14.025 0.153 1.00 0.96 N ATOM 469 CA VAL A 32 -4.709 14.151 1.596 1.00 1.02 C ATOM 470 C VAL A 32 -3.565 13.632 2.475 1.00 1.16 C ATOM 471 O VAL A 32 -2.644 12.979 1.987 1.00 1.17 O ATOM 472 CB VAL A 32 -6.036 13.435 1.953 1.00 0.94 C ATOM 473 CG1 VAL A 32 -7.228 13.947 1.133 1.00 0.83 C ATOM 474 CG2 VAL A 32 -5.981 11.911 1.786 1.00 0.90 C ATOM 0 H VAL A 32 -4.023 13.122 -0.097 1.00 0.96 H new ATOM 0 HA VAL A 32 -4.806 15.216 1.805 1.00 1.02 H new ATOM 0 HB VAL A 32 -6.175 13.674 3.007 1.00 0.94 H new ATOM 0 HG11 VAL A 32 -8.129 13.409 1.426 1.00 0.83 H new ATOM 0 HG12 VAL A 32 -7.365 15.013 1.317 1.00 0.83 H new ATOM 0 HG13 VAL A 32 -7.037 13.784 0.072 1.00 0.83 H new ATOM 0 HG21 VAL A 32 -6.946 11.481 2.054 1.00 0.90 H new ATOM 0 HG22 VAL A 32 -5.750 11.667 0.749 1.00 0.90 H new ATOM 0 HG23 VAL A 32 -5.208 11.501 2.436 1.00 0.90 H new ATOM 484 N ASP A 33 -3.617 13.928 3.773 1.00 1.31 N ATOM 485 CA ASP A 33 -2.758 13.341 4.813 1.00 1.48 C ATOM 486 C ASP A 33 -3.258 11.934 5.204 1.00 1.37 C ATOM 487 O ASP A 33 -4.454 11.640 5.140 1.00 1.23 O ATOM 488 CB ASP A 33 -2.679 14.315 6.012 1.00 1.68 C ATOM 489 CG ASP A 33 -2.411 13.689 7.388 1.00 3.26 C ATOM 490 OD1 ASP A 33 -3.367 13.204 8.025 1.00 4.89 O ATOM 491 OD2 ASP A 33 -1.273 13.769 7.906 1.00 3.62 O ATOM 0 H ASP A 33 -4.280 14.606 4.148 1.00 1.31 H new ATOM 0 HA ASP A 33 -1.746 13.203 4.433 1.00 1.48 H new ATOM 0 HB2 ASP A 33 -1.893 15.042 5.809 1.00 1.68 H new ATOM 0 HB3 ASP A 33 -3.617 14.867 6.065 1.00 1.68 H new ATOM 496 N VAL A 34 -2.340 11.054 5.615 1.00 1.47 N ATOM 497 CA VAL A 34 -2.634 9.630 5.887 1.00 1.33 C ATOM 498 C VAL A 34 -3.577 9.386 7.084 1.00 1.36 C ATOM 499 O VAL A 34 -4.052 8.264 7.269 1.00 1.27 O ATOM 500 CB VAL A 34 -1.322 8.820 5.972 1.00 1.37 C ATOM 501 CG1 VAL A 34 -0.562 9.083 7.278 1.00 1.63 C ATOM 502 CG2 VAL A 34 -1.517 7.312 5.763 1.00 1.18 C ATOM 0 H VAL A 34 -1.364 11.304 5.772 1.00 1.47 H new ATOM 0 HA VAL A 34 -3.209 9.262 5.037 1.00 1.33 H new ATOM 0 HB VAL A 34 -0.716 9.181 5.141 1.00 1.37 H new ATOM 0 HG11 VAL A 34 0.353 8.491 7.292 1.00 1.63 H new ATOM 0 HG12 VAL A 34 -0.311 10.142 7.346 1.00 1.63 H new ATOM 0 HG13 VAL A 34 -1.188 8.803 8.126 1.00 1.63 H new ATOM 0 HG21 VAL A 34 -0.554 6.807 5.836 1.00 1.18 H new ATOM 0 HG22 VAL A 34 -2.190 6.923 6.527 1.00 1.18 H new ATOM 0 HG23 VAL A 34 -1.946 7.134 4.777 1.00 1.18 H new ATOM 512 N GLU A 35 -3.911 10.400 7.888 1.00 1.60 N ATOM 513 CA GLU A 35 -4.960 10.325 8.920 1.00 1.73 C ATOM 514 C GLU A 35 -6.315 10.883 8.437 1.00 1.55 C ATOM 515 O GLU A 35 -7.351 10.593 9.043 1.00 1.68 O ATOM 516 CB GLU A 35 -4.469 11.034 10.197 1.00 2.12 C ATOM 517 CG GLU A 35 -5.073 10.420 11.470 1.00 2.73 C ATOM 518 CD GLU A 35 -4.521 11.079 12.739 1.00 3.19 C ATOM 519 OE1 GLU A 35 -3.281 11.225 12.868 1.00 3.05 O ATOM 520 OE2 GLU A 35 -5.320 11.491 13.617 1.00 4.41 O ATOM 0 H GLU A 35 -3.456 11.312 7.843 1.00 1.60 H new ATOM 0 HA GLU A 35 -5.144 9.274 9.143 1.00 1.73 H new ATOM 0 HB2 GLU A 35 -3.382 10.976 10.248 1.00 2.12 H new ATOM 0 HB3 GLU A 35 -4.729 12.091 10.147 1.00 2.12 H new ATOM 0 HG2 GLU A 35 -6.157 10.529 11.446 1.00 2.73 H new ATOM 0 HG3 GLU A 35 -4.860 9.351 11.494 1.00 2.73 H new ATOM 527 N LEU A 36 -6.349 11.636 7.331 1.00 1.36 N ATOM 528 CA LEU A 36 -7.565 12.221 6.738 1.00 1.24 C ATOM 529 C LEU A 36 -8.297 11.282 5.757 1.00 1.10 C ATOM 530 O LEU A 36 -9.394 11.617 5.300 1.00 1.07 O ATOM 531 CB LEU A 36 -7.216 13.560 6.058 1.00 1.21 C ATOM 532 CG LEU A 36 -6.557 14.623 6.956 1.00 1.48 C ATOM 533 CD1 LEU A 36 -6.349 15.912 6.160 1.00 1.51 C ATOM 534 CD2 LEU A 36 -7.389 14.958 8.191 1.00 1.66 C ATOM 0 H LEU A 36 -5.506 11.864 6.805 1.00 1.36 H new ATOM 0 HA LEU A 36 -8.265 12.387 7.557 1.00 1.24 H new ATOM 0 HB2 LEU A 36 -6.548 13.356 5.221 1.00 1.21 H new ATOM 0 HB3 LEU A 36 -8.130 13.982 5.641 1.00 1.21 H new ATOM 0 HG LEU A 36 -5.609 14.202 7.290 1.00 1.48 H new ATOM 0 HD11 LEU A 36 -5.882 16.662 6.798 1.00 1.51 H new ATOM 0 HD12 LEU A 36 -5.704 15.711 5.305 1.00 1.51 H new ATOM 0 HD13 LEU A 36 -7.312 16.282 5.809 1.00 1.51 H new ATOM 0 HD21 LEU A 36 -6.872 15.713 8.784 1.00 1.66 H new ATOM 0 HD22 LEU A 36 -8.361 15.342 7.882 1.00 1.66 H new ATOM 0 HD23 LEU A 36 -7.529 14.059 8.791 1.00 1.66 H new ATOM 546 N VAL A 37 -7.722 10.115 5.453 1.00 1.08 N ATOM 547 CA VAL A 37 -8.356 9.019 4.696 1.00 1.01 C ATOM 548 C VAL A 37 -8.869 7.916 5.638 1.00 1.05 C ATOM 549 O VAL A 37 -8.230 7.606 6.651 1.00 1.55 O ATOM 550 CB VAL A 37 -7.418 8.499 3.585 1.00 0.97 C ATOM 551 CG1 VAL A 37 -6.101 7.916 4.116 1.00 1.06 C ATOM 552 CG2 VAL A 37 -8.093 7.461 2.681 1.00 1.12 C ATOM 0 H VAL A 37 -6.767 9.894 5.735 1.00 1.08 H new ATOM 0 HA VAL A 37 -9.238 9.408 4.187 1.00 1.01 H new ATOM 0 HB VAL A 37 -7.184 9.387 2.998 1.00 0.97 H new ATOM 0 HG11 VAL A 37 -5.493 7.571 3.280 1.00 1.06 H new ATOM 0 HG12 VAL A 37 -5.558 8.685 4.666 1.00 1.06 H new ATOM 0 HG13 VAL A 37 -6.315 7.078 4.779 1.00 1.06 H new ATOM 0 HG21 VAL A 37 -7.388 7.130 1.918 1.00 1.12 H new ATOM 0 HG22 VAL A 37 -8.407 6.606 3.280 1.00 1.12 H new ATOM 0 HG23 VAL A 37 -8.964 7.908 2.201 1.00 1.12 H new ATOM 562 N GLN A 38 -10.019 7.331 5.300 1.00 0.99 N ATOM 563 CA GLN A 38 -10.667 6.203 5.985 1.00 1.00 C ATOM 564 C GLN A 38 -10.784 4.979 5.065 1.00 0.89 C ATOM 565 O GLN A 38 -10.612 5.081 3.848 1.00 0.82 O ATOM 566 CB GLN A 38 -12.062 6.614 6.482 1.00 1.24 C ATOM 567 CG GLN A 38 -12.009 7.536 7.702 1.00 1.84 C ATOM 568 CD GLN A 38 -13.385 7.706 8.289 1.00 2.17 C ATOM 569 OE1 GLN A 38 -13.785 7.051 9.243 1.00 3.44 O ATOM 570 NE2 GLN A 38 -14.186 8.553 7.722 1.00 1.79 N ATOM 0 H GLN A 38 -10.558 7.648 4.494 1.00 0.99 H new ATOM 0 HA GLN A 38 -10.043 5.930 6.836 1.00 1.00 H new ATOM 0 HB2 GLN A 38 -12.597 7.116 5.676 1.00 1.24 H new ATOM 0 HB3 GLN A 38 -12.631 5.719 6.733 1.00 1.24 H new ATOM 0 HG2 GLN A 38 -11.335 7.120 8.451 1.00 1.84 H new ATOM 0 HG3 GLN A 38 -11.606 8.507 7.415 1.00 1.84 H new ATOM 0 HE21 GLN A 38 -13.865 9.105 6.926 1.00 1.79 H new ATOM 0 HE22 GLN A 38 -15.137 8.668 8.071 1.00 1.79 H new ATOM 579 N ARG A 39 -11.146 3.821 5.633 1.00 1.02 N ATOM 580 CA ARG A 39 -11.501 2.639 4.827 1.00 1.26 C ATOM 581 C ARG A 39 -12.824 2.870 4.084 1.00 1.37 C ATOM 582 O ARG A 39 -13.715 3.532 4.624 1.00 2.44 O ATOM 583 CB ARG A 39 -11.514 1.363 5.684 1.00 1.61 C ATOM 584 CG ARG A 39 -12.715 1.240 6.632 1.00 1.73 C ATOM 585 CD ARG A 39 -12.489 0.152 7.689 1.00 2.18 C ATOM 586 NE ARG A 39 -13.625 0.045 8.620 1.00 2.38 N ATOM 587 CZ ARG A 39 -14.764 -0.597 8.437 1.00 3.45 C ATOM 588 NH1 ARG A 39 -15.063 -1.262 7.362 1.00 4.74 N ATOM 589 NH2 ARG A 39 -15.657 -0.588 9.375 1.00 3.49 N ATOM 0 H ARG A 39 -11.201 3.675 6.641 1.00 1.02 H new ATOM 0 HA ARG A 39 -10.732 2.490 4.069 1.00 1.26 H new ATOM 0 HB2 ARG A 39 -11.500 0.497 5.022 1.00 1.61 H new ATOM 0 HB3 ARG A 39 -10.598 1.328 6.274 1.00 1.61 H new ATOM 0 HG2 ARG A 39 -12.890 2.196 7.125 1.00 1.73 H new ATOM 0 HG3 ARG A 39 -13.612 1.009 6.057 1.00 1.73 H new ATOM 0 HD2 ARG A 39 -12.333 -0.807 7.195 1.00 2.18 H new ATOM 0 HD3 ARG A 39 -11.580 0.373 8.249 1.00 2.18 H new ATOM 0 HE ARG A 39 -13.519 0.525 9.514 1.00 2.38 H new ATOM 0 HH11 ARG A 39 -14.397 -1.311 6.591 1.00 4.74 H new ATOM 0 HH12 ARG A 39 -15.964 -1.735 7.289 1.00 4.74 H new ATOM 0 HH21 ARG A 39 -15.477 -0.088 10.246 1.00 3.49 H new ATOM 0 HH22 ARG A 39 -16.540 -1.081 9.243 1.00 3.49 H new ATOM 603 N GLY A 40 -12.967 2.346 2.866 1.00 1.68 N ATOM 604 CA GLY A 40 -14.175 2.449 2.034 1.00 1.64 C ATOM 605 C GLY A 40 -14.035 3.348 0.794 1.00 1.56 C ATOM 606 O GLY A 40 -14.944 3.366 -0.037 1.00 1.80 O ATOM 0 H GLY A 40 -12.221 1.819 2.412 1.00 1.68 H new ATOM 0 HA2 GLY A 40 -14.460 1.449 1.709 1.00 1.64 H new ATOM 0 HA3 GLY A 40 -14.991 2.829 2.649 1.00 1.64 H new ATOM 610 N ASP A 41 -12.924 4.075 0.632 1.00 1.34 N ATOM 611 CA ASP A 41 -12.655 4.945 -0.528 1.00 1.28 C ATOM 612 C ASP A 41 -11.734 4.297 -1.575 1.00 1.09 C ATOM 613 O ASP A 41 -11.104 3.267 -1.320 1.00 1.07 O ATOM 614 CB ASP A 41 -12.131 6.307 -0.051 1.00 1.40 C ATOM 615 CG ASP A 41 -13.272 7.167 0.488 1.00 1.90 C ATOM 616 OD1 ASP A 41 -14.153 7.578 -0.305 1.00 3.06 O ATOM 617 OD2 ASP A 41 -13.332 7.427 1.713 1.00 1.90 O ATOM 0 H ASP A 41 -12.168 4.078 1.316 1.00 1.34 H new ATOM 0 HA ASP A 41 -13.601 5.100 -1.048 1.00 1.28 H new ATOM 0 HB2 ASP A 41 -11.381 6.161 0.726 1.00 1.40 H new ATOM 0 HB3 ASP A 41 -11.639 6.822 -0.876 1.00 1.40 H new ATOM 622 N ILE A 42 -11.681 4.889 -2.774 1.00 1.03 N ATOM 623 CA ILE A 42 -10.979 4.344 -3.945 1.00 1.01 C ATOM 624 C ILE A 42 -9.819 5.243 -4.400 1.00 0.93 C ATOM 625 O ILE A 42 -9.947 6.460 -4.530 1.00 0.83 O ATOM 626 CB ILE A 42 -12.002 3.999 -5.055 1.00 1.07 C ATOM 627 CG1 ILE A 42 -12.715 2.686 -4.649 1.00 1.31 C ATOM 628 CG2 ILE A 42 -11.332 3.846 -6.428 1.00 1.32 C ATOM 629 CD1 ILE A 42 -13.872 2.246 -5.552 1.00 1.93 C ATOM 0 H ILE A 42 -12.136 5.782 -2.963 1.00 1.03 H new ATOM 0 HA ILE A 42 -10.490 3.410 -3.669 1.00 1.01 H new ATOM 0 HB ILE A 42 -12.718 4.815 -5.150 1.00 1.07 H new ATOM 0 HG12 ILE A 42 -11.975 1.886 -4.624 1.00 1.31 H new ATOM 0 HG13 ILE A 42 -13.095 2.801 -3.634 1.00 1.31 H new ATOM 0 HG21 ILE A 42 -12.087 3.604 -7.176 1.00 1.32 H new ATOM 0 HG22 ILE A 42 -10.839 4.780 -6.698 1.00 1.32 H new ATOM 0 HG23 ILE A 42 -10.594 3.045 -6.385 1.00 1.32 H new ATOM 0 HD11 ILE A 42 -14.296 1.316 -5.173 1.00 1.93 H new ATOM 0 HD12 ILE A 42 -14.641 3.019 -5.561 1.00 1.93 H new ATOM 0 HD13 ILE A 42 -13.503 2.090 -6.566 1.00 1.93 H new ATOM 641 N ILE A 43 -8.666 4.613 -4.634 1.00 1.00 N ATOM 642 CA ILE A 43 -7.352 5.214 -4.875 1.00 0.97 C ATOM 643 C ILE A 43 -6.829 4.754 -6.243 1.00 1.01 C ATOM 644 O ILE A 43 -6.605 3.558 -6.455 1.00 1.02 O ATOM 645 CB ILE A 43 -6.392 4.724 -3.757 1.00 1.04 C ATOM 646 CG1 ILE A 43 -6.954 4.872 -2.324 1.00 1.05 C ATOM 647 CG2 ILE A 43 -4.976 5.320 -3.855 1.00 1.09 C ATOM 648 CD1 ILE A 43 -7.404 6.268 -1.873 1.00 0.96 C ATOM 0 H ILE A 43 -8.623 3.594 -4.662 1.00 1.00 H new ATOM 0 HA ILE A 43 -7.418 6.302 -4.868 1.00 0.97 H new ATOM 0 HB ILE A 43 -6.309 3.654 -3.949 1.00 1.04 H new ATOM 0 HG12 ILE A 43 -7.805 4.198 -2.227 1.00 1.05 H new ATOM 0 HG13 ILE A 43 -6.191 4.525 -1.627 1.00 1.05 H new ATOM 0 HG21 ILE A 43 -4.361 4.933 -3.042 1.00 1.09 H new ATOM 0 HG22 ILE A 43 -4.530 5.043 -4.810 1.00 1.09 H new ATOM 0 HG23 ILE A 43 -5.033 6.406 -3.782 1.00 1.09 H new ATOM 0 HD11 ILE A 43 -7.774 6.218 -0.849 1.00 0.96 H new ATOM 0 HD12 ILE A 43 -6.559 6.955 -1.920 1.00 0.96 H new ATOM 0 HD13 ILE A 43 -8.199 6.624 -2.529 1.00 0.96 H new ATOM 660 N LYS A 44 -6.601 5.686 -7.175 1.00 1.16 N ATOM 661 CA LYS A 44 -5.954 5.393 -8.473 1.00 1.23 C ATOM 662 C LYS A 44 -4.444 5.656 -8.426 1.00 1.38 C ATOM 663 O LYS A 44 -4.007 6.797 -8.241 1.00 1.90 O ATOM 664 CB LYS A 44 -6.656 6.116 -9.638 1.00 1.55 C ATOM 665 CG LYS A 44 -6.505 5.268 -10.910 1.00 2.27 C ATOM 666 CD LYS A 44 -7.304 5.799 -12.107 1.00 2.48 C ATOM 667 CE LYS A 44 -7.669 4.597 -12.984 1.00 2.67 C ATOM 668 NZ LYS A 44 -8.236 4.998 -14.293 1.00 3.14 N ATOM 0 H LYS A 44 -6.857 6.666 -7.057 1.00 1.16 H new ATOM 0 HA LYS A 44 -6.071 4.327 -8.666 1.00 1.23 H new ATOM 0 HB2 LYS A 44 -7.711 6.267 -9.408 1.00 1.55 H new ATOM 0 HB3 LYS A 44 -6.218 7.103 -9.788 1.00 1.55 H new ATOM 0 HG2 LYS A 44 -5.450 5.221 -11.181 1.00 2.27 H new ATOM 0 HG3 LYS A 44 -6.824 4.248 -10.696 1.00 2.27 H new ATOM 0 HD2 LYS A 44 -8.203 6.315 -11.770 1.00 2.48 H new ATOM 0 HD3 LYS A 44 -6.715 6.521 -12.672 1.00 2.48 H new ATOM 0 HE2 LYS A 44 -6.780 3.989 -13.148 1.00 2.67 H new ATOM 0 HE3 LYS A 44 -8.390 3.972 -12.456 1.00 2.67 H new ATOM 0 HZ1 LYS A 44 -8.466 4.148 -14.847 1.00 3.14 H new ATOM 0 HZ2 LYS A 44 -9.100 5.556 -14.141 1.00 3.14 H new ATOM 0 HZ3 LYS A 44 -7.541 5.572 -14.811 1.00 3.14 H new ATOM 682 N VAL A 45 -3.653 4.596 -8.588 1.00 0.97 N ATOM 683 CA VAL A 45 -2.194 4.605 -8.369 1.00 0.85 C ATOM 684 C VAL A 45 -1.414 4.869 -9.663 1.00 0.81 C ATOM 685 O VAL A 45 -1.828 4.463 -10.751 1.00 1.02 O ATOM 686 CB VAL A 45 -1.751 3.306 -7.660 1.00 0.85 C ATOM 687 CG1 VAL A 45 -1.698 2.109 -8.613 1.00 1.00 C ATOM 688 CG2 VAL A 45 -0.390 3.427 -6.962 1.00 0.75 C ATOM 0 H VAL A 45 -4.008 3.686 -8.881 1.00 0.97 H new ATOM 0 HA VAL A 45 -1.955 5.439 -7.710 1.00 0.85 H new ATOM 0 HB VAL A 45 -2.518 3.139 -6.903 1.00 0.85 H new ATOM 0 HG11 VAL A 45 -1.381 1.222 -8.065 1.00 1.00 H new ATOM 0 HG12 VAL A 45 -2.687 1.939 -9.039 1.00 1.00 H new ATOM 0 HG13 VAL A 45 -0.988 2.313 -9.414 1.00 1.00 H new ATOM 0 HG21 VAL A 45 -0.140 2.479 -6.485 1.00 0.75 H new ATOM 0 HG22 VAL A 45 0.375 3.676 -7.697 1.00 0.75 H new ATOM 0 HG23 VAL A 45 -0.437 4.212 -6.207 1.00 0.75 H new ATOM 698 N VAL A 46 -0.272 5.547 -9.549 1.00 0.66 N ATOM 699 CA VAL A 46 0.718 5.711 -10.631 1.00 0.67 C ATOM 700 C VAL A 46 1.806 4.619 -10.609 1.00 0.64 C ATOM 701 O VAL A 46 2.030 3.996 -9.562 1.00 0.66 O ATOM 702 CB VAL A 46 1.373 7.108 -10.566 1.00 0.85 C ATOM 703 CG1 VAL A 46 0.348 8.217 -10.827 1.00 1.11 C ATOM 704 CG2 VAL A 46 2.074 7.368 -9.230 1.00 0.86 C ATOM 0 H VAL A 46 0.004 6.011 -8.684 1.00 0.66 H new ATOM 0 HA VAL A 46 0.173 5.610 -11.569 1.00 0.67 H new ATOM 0 HB VAL A 46 2.129 7.121 -11.352 1.00 0.85 H new ATOM 0 HG11 VAL A 46 0.841 9.188 -10.774 1.00 1.11 H new ATOM 0 HG12 VAL A 46 -0.087 8.084 -11.818 1.00 1.11 H new ATOM 0 HG13 VAL A 46 -0.440 8.169 -10.075 1.00 1.11 H new ATOM 0 HG21 VAL A 46 2.517 8.364 -9.239 1.00 0.86 H new ATOM 0 HG22 VAL A 46 1.348 7.301 -8.419 1.00 0.86 H new ATOM 0 HG23 VAL A 46 2.857 6.624 -9.079 1.00 0.86 H new ATOM 714 N PRO A 47 2.531 4.384 -11.720 1.00 0.89 N ATOM 715 CA PRO A 47 3.743 3.565 -11.699 1.00 1.13 C ATOM 716 C PRO A 47 4.759 4.111 -10.677 1.00 1.30 C ATOM 717 O PRO A 47 4.849 5.320 -10.434 1.00 1.52 O ATOM 718 CB PRO A 47 4.294 3.595 -13.130 1.00 1.48 C ATOM 719 CG PRO A 47 3.680 4.855 -13.739 1.00 1.84 C ATOM 720 CD PRO A 47 2.315 4.917 -13.061 1.00 1.16 C ATOM 0 HA PRO A 47 3.535 2.541 -11.387 1.00 1.13 H new ATOM 0 HB2 PRO A 47 5.383 3.639 -13.137 1.00 1.48 H new ATOM 0 HB3 PRO A 47 4.007 2.703 -13.686 1.00 1.48 H new ATOM 0 HG2 PRO A 47 4.279 5.741 -13.528 1.00 1.84 H new ATOM 0 HG3 PRO A 47 3.592 4.781 -14.823 1.00 1.84 H new ATOM 0 HD2 PRO A 47 1.940 5.940 -13.023 1.00 1.16 H new ATOM 0 HD3 PRO A 47 1.577 4.327 -13.605 1.00 1.16 H new ATOM 728 N GLY A 48 5.522 3.219 -10.047 1.00 1.29 N ATOM 729 CA GLY A 48 6.457 3.537 -8.962 1.00 1.50 C ATOM 730 C GLY A 48 5.804 3.909 -7.619 1.00 1.49 C ATOM 731 O GLY A 48 6.527 4.193 -6.663 1.00 1.75 O ATOM 0 H GLY A 48 5.508 2.226 -10.282 1.00 1.29 H new ATOM 0 HA2 GLY A 48 7.110 2.679 -8.804 1.00 1.50 H new ATOM 0 HA3 GLY A 48 7.090 4.365 -9.281 1.00 1.50 H new ATOM 735 N GLY A 49 4.467 3.902 -7.516 1.00 1.30 N ATOM 736 CA GLY A 49 3.743 4.089 -6.252 1.00 1.46 C ATOM 737 C GLY A 49 4.018 2.970 -5.237 1.00 1.41 C ATOM 738 O GLY A 49 4.256 1.822 -5.619 1.00 1.53 O ATOM 0 H GLY A 49 3.852 3.765 -8.318 1.00 1.30 H new ATOM 0 HA2 GLY A 49 4.025 5.047 -5.815 1.00 1.46 H new ATOM 0 HA3 GLY A 49 2.673 4.134 -6.455 1.00 1.46 H new ATOM 742 N LYS A 50 3.991 3.316 -3.942 1.00 1.40 N ATOM 743 CA LYS A 50 4.440 2.468 -2.816 1.00 1.40 C ATOM 744 C LYS A 50 3.348 2.090 -1.793 1.00 1.91 C ATOM 745 O LYS A 50 3.675 1.612 -0.707 1.00 3.97 O ATOM 746 CB LYS A 50 5.649 3.133 -2.129 1.00 1.22 C ATOM 747 CG LYS A 50 6.766 3.548 -3.098 1.00 0.79 C ATOM 748 CD LYS A 50 8.000 4.003 -2.316 1.00 1.13 C ATOM 749 CE LYS A 50 9.079 4.506 -3.275 1.00 1.12 C ATOM 750 NZ LYS A 50 10.234 5.050 -2.533 1.00 1.70 N ATOM 0 H LYS A 50 3.645 4.225 -3.634 1.00 1.40 H new ATOM 0 HA LYS A 50 4.725 1.511 -3.253 1.00 1.40 H new ATOM 0 HB2 LYS A 50 5.307 4.014 -1.586 1.00 1.22 H new ATOM 0 HB3 LYS A 50 6.059 2.444 -1.391 1.00 1.22 H new ATOM 0 HG2 LYS A 50 7.025 2.711 -3.746 1.00 0.79 H new ATOM 0 HG3 LYS A 50 6.417 4.354 -3.743 1.00 0.79 H new ATOM 0 HD2 LYS A 50 7.726 4.795 -1.619 1.00 1.13 H new ATOM 0 HD3 LYS A 50 8.388 3.176 -1.722 1.00 1.13 H new ATOM 0 HE2 LYS A 50 9.407 3.690 -3.919 1.00 1.12 H new ATOM 0 HE3 LYS A 50 8.663 5.277 -3.924 1.00 1.12 H new ATOM 0 HZ1 LYS A 50 10.953 5.385 -3.206 1.00 1.70 H new ATOM 0 HZ2 LYS A 50 9.922 5.843 -1.937 1.00 1.70 H new ATOM 0 HZ3 LYS A 50 10.643 4.306 -1.932 1.00 1.70 H new ATOM 764 N PHE A 51 2.079 2.376 -2.097 1.00 0.83 N ATOM 765 CA PHE A 51 0.855 2.138 -1.305 1.00 0.87 C ATOM 766 C PHE A 51 0.856 2.659 0.162 1.00 0.88 C ATOM 767 O PHE A 51 1.588 2.143 1.012 1.00 0.99 O ATOM 768 CB PHE A 51 0.438 0.659 -1.397 1.00 0.88 C ATOM 769 CG PHE A 51 0.119 0.193 -2.808 1.00 0.92 C ATOM 770 CD1 PHE A 51 -1.003 0.702 -3.490 1.00 2.17 C ATOM 771 CD2 PHE A 51 0.955 -0.736 -3.455 1.00 1.29 C ATOM 772 CE1 PHE A 51 -1.271 0.298 -4.811 1.00 2.27 C ATOM 773 CE2 PHE A 51 0.686 -1.143 -4.773 1.00 1.26 C ATOM 774 CZ PHE A 51 -0.427 -0.623 -5.455 1.00 1.09 C ATOM 0 H PHE A 51 1.855 2.822 -2.986 1.00 0.83 H new ATOM 0 HA PHE A 51 0.099 2.768 -1.774 1.00 0.87 H new ATOM 0 HB2 PHE A 51 1.240 0.040 -0.994 1.00 0.88 H new ATOM 0 HB3 PHE A 51 -0.436 0.499 -0.766 1.00 0.88 H new ATOM 0 HD1 PHE A 51 -1.660 1.404 -2.998 1.00 2.17 H new ATOM 0 HD2 PHE A 51 1.811 -1.140 -2.934 1.00 1.29 H new ATOM 0 HE1 PHE A 51 -2.129 0.697 -5.332 1.00 2.27 H new ATOM 0 HE2 PHE A 51 1.335 -1.855 -5.261 1.00 1.26 H new ATOM 0 HZ PHE A 51 -0.633 -0.930 -6.470 1.00 1.09 H new ATOM 784 N PRO A 52 -0.002 3.640 0.523 1.00 0.88 N ATOM 785 CA PRO A 52 -0.021 4.235 1.869 1.00 0.87 C ATOM 786 C PRO A 52 -0.794 3.431 2.936 1.00 0.83 C ATOM 787 O PRO A 52 -0.639 3.691 4.130 1.00 0.91 O ATOM 788 CB PRO A 52 -0.625 5.630 1.663 1.00 0.94 C ATOM 789 CG PRO A 52 -1.587 5.438 0.495 1.00 0.96 C ATOM 790 CD PRO A 52 -0.869 4.405 -0.371 1.00 0.95 C ATOM 0 HA PRO A 52 0.989 4.253 2.279 1.00 0.87 H new ATOM 0 HB2 PRO A 52 -1.144 5.978 2.556 1.00 0.94 H new ATOM 0 HB3 PRO A 52 0.143 6.369 1.432 1.00 0.94 H new ATOM 0 HG2 PRO A 52 -2.561 5.079 0.828 1.00 0.96 H new ATOM 0 HG3 PRO A 52 -1.758 6.369 -0.045 1.00 0.96 H new ATOM 0 HD2 PRO A 52 -1.586 3.751 -0.869 1.00 0.95 H new ATOM 0 HD3 PRO A 52 -0.286 4.893 -1.152 1.00 0.95 H new ATOM 798 N VAL A 53 -1.614 2.463 2.518 1.00 0.75 N ATOM 799 CA VAL A 53 -2.479 1.579 3.331 1.00 0.74 C ATOM 800 C VAL A 53 -2.692 0.260 2.566 1.00 0.74 C ATOM 801 O VAL A 53 -2.252 0.153 1.420 1.00 0.73 O ATOM 802 CB VAL A 53 -3.843 2.223 3.672 1.00 0.79 C ATOM 803 CG1 VAL A 53 -3.728 3.326 4.730 1.00 0.88 C ATOM 804 CG2 VAL A 53 -4.540 2.800 2.440 1.00 0.83 C ATOM 0 H VAL A 53 -1.703 2.254 1.524 1.00 0.75 H new ATOM 0 HA VAL A 53 -1.977 1.398 4.282 1.00 0.74 H new ATOM 0 HB VAL A 53 -4.443 1.407 4.075 1.00 0.79 H new ATOM 0 HG11 VAL A 53 -4.715 3.742 4.930 1.00 0.88 H new ATOM 0 HG12 VAL A 53 -3.318 2.907 5.649 1.00 0.88 H new ATOM 0 HG13 VAL A 53 -3.069 4.114 4.364 1.00 0.88 H new ATOM 0 HG21 VAL A 53 -5.493 3.240 2.734 1.00 0.83 H new ATOM 0 HG22 VAL A 53 -3.909 3.567 1.991 1.00 0.83 H new ATOM 0 HG23 VAL A 53 -4.716 2.005 1.716 1.00 0.83 H new ATOM 814 N ASP A 54 -3.341 -0.743 3.168 1.00 0.88 N ATOM 815 CA ASP A 54 -3.706 -1.987 2.471 1.00 1.00 C ATOM 816 C ASP A 54 -5.122 -1.956 1.857 1.00 1.14 C ATOM 817 O ASP A 54 -6.033 -1.275 2.343 1.00 1.32 O ATOM 818 CB ASP A 54 -3.408 -3.223 3.335 1.00 1.19 C ATOM 819 CG ASP A 54 -4.398 -3.493 4.468 1.00 1.38 C ATOM 820 OD1 ASP A 54 -5.492 -4.033 4.186 1.00 2.46 O ATOM 821 OD2 ASP A 54 -4.043 -3.245 5.646 1.00 1.56 O ATOM 0 H ASP A 54 -3.628 -0.719 4.147 1.00 0.88 H new ATOM 0 HA ASP A 54 -3.056 -2.071 1.600 1.00 1.00 H new ATOM 0 HB2 ASP A 54 -3.379 -4.099 2.686 1.00 1.19 H new ATOM 0 HB3 ASP A 54 -2.413 -3.111 3.765 1.00 1.19 H new ATOM 826 N GLY A 55 -5.288 -2.656 0.732 1.00 1.14 N ATOM 827 CA GLY A 55 -6.497 -2.566 -0.087 1.00 1.40 C ATOM 828 C GLY A 55 -6.601 -3.601 -1.207 1.00 1.16 C ATOM 829 O GLY A 55 -5.674 -4.372 -1.473 1.00 1.11 O ATOM 0 H GLY A 55 -4.588 -3.300 0.364 1.00 1.14 H new ATOM 0 HA2 GLY A 55 -7.366 -2.669 0.563 1.00 1.40 H new ATOM 0 HA3 GLY A 55 -6.545 -1.570 -0.528 1.00 1.40 H new ATOM 833 N ARG A 56 -7.761 -3.602 -1.870 1.00 1.08 N ATOM 834 CA ARG A 56 -8.145 -4.577 -2.902 1.00 0.92 C ATOM 835 C ARG A 56 -8.261 -3.923 -4.280 1.00 0.95 C ATOM 836 O ARG A 56 -8.837 -2.847 -4.418 1.00 1.10 O ATOM 837 CB ARG A 56 -9.411 -5.312 -2.434 1.00 0.91 C ATOM 838 CG ARG A 56 -9.618 -6.633 -3.189 1.00 0.82 C ATOM 839 CD ARG A 56 -10.570 -7.591 -2.465 1.00 0.82 C ATOM 840 NE ARG A 56 -10.042 -8.040 -1.161 1.00 2.27 N ATOM 841 CZ ARG A 56 -10.459 -9.066 -0.445 1.00 3.42 C ATOM 842 NH1 ARG A 56 -11.412 -9.866 -0.830 1.00 3.52 N ATOM 843 NH2 ARG A 56 -9.885 -9.298 0.695 1.00 5.17 N ATOM 0 H ARG A 56 -8.484 -2.903 -1.700 1.00 1.08 H new ATOM 0 HA ARG A 56 -7.364 -5.326 -3.031 1.00 0.92 H new ATOM 0 HB2 ARG A 56 -9.340 -5.512 -1.365 1.00 0.91 H new ATOM 0 HB3 ARG A 56 -10.279 -4.670 -2.581 1.00 0.91 H new ATOM 0 HG2 ARG A 56 -10.012 -6.420 -4.183 1.00 0.82 H new ATOM 0 HG3 ARG A 56 -8.654 -7.122 -3.326 1.00 0.82 H new ATOM 0 HD2 ARG A 56 -11.530 -7.097 -2.313 1.00 0.82 H new ATOM 0 HD3 ARG A 56 -10.755 -8.460 -3.097 1.00 0.82 H new ATOM 0 HE ARG A 56 -9.271 -7.498 -0.772 1.00 2.27 H new ATOM 0 HH11 ARG A 56 -11.875 -9.713 -1.726 1.00 3.52 H new ATOM 0 HH12 ARG A 56 -11.695 -10.645 -0.236 1.00 3.52 H new ATOM 0 HH21 ARG A 56 -9.130 -8.693 1.018 1.00 5.17 H new ATOM 0 HH22 ARG A 56 -10.189 -10.085 1.268 1.00 5.17 H new ATOM 857 N VAL A 57 -7.674 -4.554 -5.293 1.00 0.84 N ATOM 858 CA VAL A 57 -7.467 -4.035 -6.654 1.00 0.77 C ATOM 859 C VAL A 57 -8.618 -4.489 -7.547 1.00 0.84 C ATOM 860 O VAL A 57 -8.909 -5.682 -7.589 1.00 0.86 O ATOM 861 CB VAL A 57 -6.138 -4.565 -7.229 1.00 0.65 C ATOM 862 CG1 VAL A 57 -5.844 -3.952 -8.600 1.00 0.66 C ATOM 863 CG2 VAL A 57 -4.934 -4.292 -6.316 1.00 0.70 C ATOM 0 H VAL A 57 -7.306 -5.499 -5.186 1.00 0.84 H new ATOM 0 HA VAL A 57 -7.431 -2.946 -6.618 1.00 0.77 H new ATOM 0 HB VAL A 57 -6.272 -5.644 -7.313 1.00 0.65 H new ATOM 0 HG11 VAL A 57 -4.901 -4.345 -8.980 1.00 0.66 H new ATOM 0 HG12 VAL A 57 -6.647 -4.206 -9.292 1.00 0.66 H new ATOM 0 HG13 VAL A 57 -5.774 -2.868 -8.507 1.00 0.66 H new ATOM 0 HG21 VAL A 57 -4.030 -4.689 -6.777 1.00 0.70 H new ATOM 0 HG22 VAL A 57 -4.824 -3.217 -6.170 1.00 0.70 H new ATOM 0 HG23 VAL A 57 -5.092 -4.775 -5.352 1.00 0.70 H new ATOM 873 N ILE A 58 -9.273 -3.569 -8.259 1.00 0.89 N ATOM 874 CA ILE A 58 -10.489 -3.864 -9.048 1.00 0.93 C ATOM 875 C ILE A 58 -10.564 -3.097 -10.388 1.00 0.97 C ATOM 876 O ILE A 58 -11.654 -2.883 -10.926 1.00 1.03 O ATOM 877 CB ILE A 58 -11.742 -3.621 -8.157 1.00 0.98 C ATOM 878 CG1 ILE A 58 -11.618 -2.288 -7.382 1.00 1.04 C ATOM 879 CG2 ILE A 58 -11.955 -4.789 -7.177 1.00 0.97 C ATOM 880 CD1 ILE A 58 -12.911 -1.833 -6.699 1.00 1.06 C ATOM 0 H ILE A 58 -8.981 -2.593 -8.310 1.00 0.89 H new ATOM 0 HA ILE A 58 -10.450 -4.913 -9.342 1.00 0.93 H new ATOM 0 HB ILE A 58 -12.610 -3.559 -8.814 1.00 0.98 H new ATOM 0 HG12 ILE A 58 -10.839 -2.392 -6.627 1.00 1.04 H new ATOM 0 HG13 ILE A 58 -11.292 -1.509 -8.072 1.00 1.04 H new ATOM 0 HG21 ILE A 58 -12.836 -4.595 -6.566 1.00 0.97 H new ATOM 0 HG22 ILE A 58 -12.098 -5.713 -7.738 1.00 0.97 H new ATOM 0 HG23 ILE A 58 -11.081 -4.887 -6.533 1.00 0.97 H new ATOM 0 HD11 ILE A 58 -12.736 -0.891 -6.179 1.00 1.06 H new ATOM 0 HD12 ILE A 58 -13.689 -1.694 -7.449 1.00 1.06 H new ATOM 0 HD13 ILE A 58 -13.229 -2.590 -5.982 1.00 1.06 H new ATOM 892 N GLU A 59 -9.412 -2.788 -10.996 1.00 0.96 N ATOM 893 CA GLU A 59 -9.255 -2.286 -12.377 1.00 1.03 C ATOM 894 C GLU A 59 -7.766 -2.306 -12.772 1.00 1.00 C ATOM 895 O GLU A 59 -6.928 -1.962 -11.937 1.00 0.97 O ATOM 896 CB GLU A 59 -9.775 -0.836 -12.504 1.00 1.12 C ATOM 897 CG GLU A 59 -10.550 -0.528 -13.792 1.00 1.32 C ATOM 898 CD GLU A 59 -9.676 -0.518 -15.048 1.00 2.35 C ATOM 899 OE1 GLU A 59 -8.758 0.330 -15.159 1.00 3.46 O ATOM 900 OE2 GLU A 59 -9.909 -1.361 -15.947 1.00 3.23 O ATOM 0 H GLU A 59 -8.516 -2.884 -10.519 1.00 0.96 H new ATOM 0 HA GLU A 59 -9.834 -2.933 -13.036 1.00 1.03 H new ATOM 0 HB2 GLU A 59 -10.420 -0.623 -11.652 1.00 1.12 H new ATOM 0 HB3 GLU A 59 -8.926 -0.156 -12.439 1.00 1.12 H new ATOM 0 HG2 GLU A 59 -11.340 -1.268 -13.916 1.00 1.32 H new ATOM 0 HG3 GLU A 59 -11.036 0.443 -13.690 1.00 1.32 H new ATOM 907 N GLY A 60 -7.444 -2.628 -14.030 1.00 1.01 N ATOM 908 CA GLY A 60 -6.099 -2.468 -14.606 1.00 1.00 C ATOM 909 C GLY A 60 -5.150 -3.664 -14.458 1.00 1.09 C ATOM 910 O GLY A 60 -5.550 -4.737 -14.016 1.00 1.26 O ATOM 0 H GLY A 60 -8.120 -3.014 -14.689 1.00 1.01 H new ATOM 0 HA2 GLY A 60 -6.206 -2.245 -15.668 1.00 1.00 H new ATOM 0 HA3 GLY A 60 -5.630 -1.600 -14.144 1.00 1.00 H new ATOM 914 N HIS A 61 -3.877 -3.475 -14.819 1.00 0.97 N ATOM 915 CA HIS A 61 -2.826 -4.496 -14.702 1.00 0.92 C ATOM 916 C HIS A 61 -1.474 -3.885 -14.289 1.00 0.75 C ATOM 917 O HIS A 61 -0.978 -2.944 -14.917 1.00 1.12 O ATOM 918 CB HIS A 61 -2.728 -5.312 -16.005 1.00 1.19 C ATOM 919 CG HIS A 61 -2.214 -4.556 -17.209 1.00 1.62 C ATOM 920 ND1 HIS A 61 -2.890 -3.599 -17.932 1.00 2.22 N ATOM 921 CD2 HIS A 61 -0.988 -4.706 -17.799 1.00 2.43 C ATOM 922 CE1 HIS A 61 -2.094 -3.178 -18.927 1.00 2.56 C ATOM 923 NE2 HIS A 61 -0.907 -3.809 -18.875 1.00 2.77 N ATOM 0 H HIS A 61 -3.540 -2.594 -15.208 1.00 0.97 H new ATOM 0 HA HIS A 61 -3.102 -5.181 -13.900 1.00 0.92 H new ATOM 0 HB2 HIS A 61 -2.076 -6.167 -15.829 1.00 1.19 H new ATOM 0 HB3 HIS A 61 -3.716 -5.708 -16.241 1.00 1.19 H new ATOM 0 HD2 HIS A 61 -0.216 -5.396 -17.490 1.00 2.43 H new ATOM 0 HE1 HIS A 61 -2.367 -2.438 -19.665 1.00 2.56 H new ATOM 0 HE2 HIS A 61 -0.109 -3.664 -19.493 1.00 2.77 H new ATOM 931 N SER A 62 -0.883 -4.363 -13.191 1.00 0.56 N ATOM 932 CA SER A 62 0.500 -4.036 -12.807 1.00 0.49 C ATOM 933 C SER A 62 1.217 -5.158 -12.065 1.00 0.50 C ATOM 934 O SER A 62 0.596 -5.902 -11.313 1.00 0.70 O ATOM 935 CB SER A 62 0.551 -2.754 -11.973 1.00 0.55 C ATOM 936 OG SER A 62 0.508 -1.662 -12.864 1.00 1.31 O ATOM 0 H SER A 62 -1.350 -4.992 -12.537 1.00 0.56 H new ATOM 0 HA SER A 62 1.031 -3.889 -13.747 1.00 0.49 H new ATOM 0 HB2 SER A 62 -0.289 -2.715 -11.279 1.00 0.55 H new ATOM 0 HB3 SER A 62 1.461 -2.723 -11.374 1.00 0.55 H new ATOM 0 HG SER A 62 0.115 -1.949 -13.715 1.00 1.31 H new ATOM 942 N MET A 63 2.544 -5.231 -12.183 1.00 0.57 N ATOM 943 CA MET A 63 3.376 -6.090 -11.341 1.00 0.61 C ATOM 944 C MET A 63 3.922 -5.280 -10.155 1.00 0.60 C ATOM 945 O MET A 63 4.305 -4.117 -10.313 1.00 0.68 O ATOM 946 CB MET A 63 4.464 -6.749 -12.194 1.00 0.75 C ATOM 947 CG MET A 63 5.337 -7.690 -11.362 1.00 0.88 C ATOM 948 SD MET A 63 6.269 -8.894 -12.338 1.00 1.07 S ATOM 949 CE MET A 63 4.999 -10.163 -12.566 1.00 1.05 C ATOM 0 H MET A 63 3.074 -4.693 -12.869 1.00 0.57 H new ATOM 0 HA MET A 63 2.787 -6.901 -10.913 1.00 0.61 H new ATOM 0 HB2 MET A 63 4.001 -7.306 -13.009 1.00 0.75 H new ATOM 0 HB3 MET A 63 5.088 -5.979 -12.648 1.00 0.75 H new ATOM 0 HG2 MET A 63 6.037 -7.095 -10.776 1.00 0.88 H new ATOM 0 HG3 MET A 63 4.703 -8.225 -10.655 1.00 0.88 H new ATOM 0 HE1 MET A 63 5.418 -11.002 -13.121 1.00 1.05 H new ATOM 0 HE2 MET A 63 4.652 -10.510 -11.593 1.00 1.05 H new ATOM 0 HE3 MET A 63 4.161 -9.743 -13.122 1.00 1.05 H new ATOM 959 N VAL A 64 3.923 -5.889 -8.966 1.00 0.57 N ATOM 960 CA VAL A 64 4.215 -5.243 -7.678 1.00 0.56 C ATOM 961 C VAL A 64 5.271 -6.031 -6.894 1.00 0.75 C ATOM 962 O VAL A 64 5.169 -7.246 -6.749 1.00 1.03 O ATOM 963 CB VAL A 64 2.912 -5.075 -6.864 1.00 0.60 C ATOM 964 CG1 VAL A 64 3.165 -4.501 -5.470 1.00 0.62 C ATOM 965 CG2 VAL A 64 1.923 -4.133 -7.568 1.00 0.56 C ATOM 0 H VAL A 64 3.713 -6.882 -8.868 1.00 0.57 H new ATOM 0 HA VAL A 64 4.629 -4.253 -7.868 1.00 0.56 H new ATOM 0 HB VAL A 64 2.496 -6.079 -6.781 1.00 0.60 H new ATOM 0 HG11 VAL A 64 2.218 -4.403 -4.940 1.00 0.62 H new ATOM 0 HG12 VAL A 64 3.824 -5.169 -4.915 1.00 0.62 H new ATOM 0 HG13 VAL A 64 3.634 -3.521 -5.560 1.00 0.62 H new ATOM 0 HG21 VAL A 64 1.019 -4.039 -6.966 1.00 0.56 H new ATOM 0 HG22 VAL A 64 2.380 -3.151 -7.691 1.00 0.56 H new ATOM 0 HG23 VAL A 64 1.667 -4.539 -8.546 1.00 0.56 H new ATOM 975 N ASP A 65 6.279 -5.332 -6.377 1.00 0.69 N ATOM 976 CA ASP A 65 7.349 -5.892 -5.543 1.00 0.88 C ATOM 977 C ASP A 65 6.971 -5.880 -4.050 1.00 0.92 C ATOM 978 O ASP A 65 6.721 -4.820 -3.481 1.00 1.04 O ATOM 979 CB ASP A 65 8.645 -5.114 -5.815 1.00 1.00 C ATOM 980 CG ASP A 65 9.828 -5.606 -4.977 1.00 1.25 C ATOM 981 OD1 ASP A 65 10.033 -6.836 -4.869 1.00 2.31 O ATOM 982 OD2 ASP A 65 10.586 -4.756 -4.446 1.00 1.62 O ATOM 0 H ASP A 65 6.380 -4.329 -6.530 1.00 0.69 H new ATOM 0 HA ASP A 65 7.502 -6.939 -5.805 1.00 0.88 H new ATOM 0 HB2 ASP A 65 8.897 -5.197 -6.872 1.00 1.00 H new ATOM 0 HB3 ASP A 65 8.477 -4.057 -5.610 1.00 1.00 H new ATOM 987 N GLU A 66 6.952 -7.053 -3.411 1.00 0.88 N ATOM 988 CA GLU A 66 6.587 -7.266 -1.997 1.00 0.91 C ATOM 989 C GLU A 66 7.760 -7.804 -1.137 1.00 0.88 C ATOM 990 O GLU A 66 7.554 -8.281 -0.017 1.00 0.93 O ATOM 991 CB GLU A 66 5.401 -8.245 -1.892 1.00 1.03 C ATOM 992 CG GLU A 66 4.121 -7.942 -2.686 1.00 1.17 C ATOM 993 CD GLU A 66 2.994 -8.949 -2.367 1.00 1.17 C ATOM 994 OE1 GLU A 66 3.252 -10.027 -1.774 1.00 1.71 O ATOM 995 OE2 GLU A 66 1.813 -8.661 -2.686 1.00 1.96 O ATOM 0 H GLU A 66 7.201 -7.923 -3.882 1.00 0.88 H new ATOM 0 HA GLU A 66 6.313 -6.287 -1.605 1.00 0.91 H new ATOM 0 HB2 GLU A 66 5.756 -9.228 -2.200 1.00 1.03 H new ATOM 0 HB3 GLU A 66 5.127 -8.320 -0.840 1.00 1.03 H new ATOM 0 HG2 GLU A 66 3.781 -6.932 -2.456 1.00 1.17 H new ATOM 0 HG3 GLU A 66 4.341 -7.969 -3.753 1.00 1.17 H new ATOM 1002 N SER A 67 8.999 -7.745 -1.640 1.00 0.90 N ATOM 1003 CA SER A 67 10.188 -8.434 -1.100 1.00 0.99 C ATOM 1004 C SER A 67 10.655 -8.115 0.327 1.00 0.93 C ATOM 1005 O SER A 67 11.623 -8.732 0.784 1.00 0.87 O ATOM 1006 CB SER A 67 11.355 -8.225 -2.064 1.00 1.13 C ATOM 1007 OG SER A 67 11.742 -6.865 -2.063 1.00 1.41 O ATOM 0 H SER A 67 9.215 -7.193 -2.470 1.00 0.90 H new ATOM 0 HA SER A 67 9.853 -9.468 -1.015 1.00 0.99 H new ATOM 0 HB2 SER A 67 12.197 -8.852 -1.771 1.00 1.13 H new ATOM 0 HB3 SER A 67 11.066 -8.529 -3.070 1.00 1.13 H new ATOM 0 HG SER A 67 12.491 -6.738 -2.682 1.00 1.41 H new ATOM 1013 N LEU A 68 9.990 -7.209 1.049 1.00 1.22 N ATOM 1014 CA LEU A 68 10.185 -6.970 2.487 1.00 1.34 C ATOM 1015 C LEU A 68 8.908 -7.337 3.268 1.00 1.36 C ATOM 1016 O LEU A 68 8.989 -7.978 4.316 1.00 1.54 O ATOM 1017 CB LEU A 68 10.625 -5.499 2.670 1.00 1.36 C ATOM 1018 CG LEU A 68 11.236 -5.072 4.022 1.00 1.43 C ATOM 1019 CD1 LEU A 68 10.278 -5.147 5.210 1.00 1.57 C ATOM 1020 CD2 LEU A 68 12.505 -5.840 4.379 1.00 1.33 C ATOM 0 H LEU A 68 9.280 -6.602 0.640 1.00 1.22 H new ATOM 0 HA LEU A 68 10.969 -7.608 2.896 1.00 1.34 H new ATOM 0 HB2 LEU A 68 11.353 -5.272 1.891 1.00 1.36 H new ATOM 0 HB3 LEU A 68 9.755 -4.868 2.486 1.00 1.36 H new ATOM 0 HG LEU A 68 11.478 -4.023 3.850 1.00 1.43 H new ATOM 0 HD11 LEU A 68 10.795 -4.829 6.115 1.00 1.57 H new ATOM 0 HD12 LEU A 68 9.424 -4.493 5.031 1.00 1.57 H new ATOM 0 HD13 LEU A 68 9.930 -6.173 5.333 1.00 1.57 H new ATOM 0 HD21 LEU A 68 12.883 -5.492 5.340 1.00 1.33 H new ATOM 0 HD22 LEU A 68 12.280 -6.905 4.442 1.00 1.33 H new ATOM 0 HD23 LEU A 68 13.260 -5.673 3.610 1.00 1.33 H new ATOM 1032 N ILE A 69 7.728 -7.002 2.731 1.00 1.24 N ATOM 1033 CA ILE A 69 6.429 -7.249 3.384 1.00 1.29 C ATOM 1034 C ILE A 69 6.084 -8.748 3.439 1.00 1.39 C ATOM 1035 O ILE A 69 5.763 -9.257 4.516 1.00 1.61 O ATOM 1036 CB ILE A 69 5.297 -6.427 2.724 1.00 1.19 C ATOM 1037 CG1 ILE A 69 5.596 -4.911 2.621 1.00 1.20 C ATOM 1038 CG2 ILE A 69 3.984 -6.651 3.495 1.00 1.32 C ATOM 1039 CD1 ILE A 69 5.742 -4.175 3.960 1.00 1.33 C ATOM 0 H ILE A 69 7.644 -6.547 1.822 1.00 1.24 H new ATOM 0 HA ILE A 69 6.522 -6.909 4.415 1.00 1.29 H new ATOM 0 HB ILE A 69 5.212 -6.787 1.699 1.00 1.19 H new ATOM 0 HG12 ILE A 69 6.515 -4.777 2.051 1.00 1.20 H new ATOM 0 HG13 ILE A 69 4.796 -4.438 2.052 1.00 1.20 H new ATOM 0 HG21 ILE A 69 3.186 -6.072 3.030 1.00 1.32 H new ATOM 0 HG22 ILE A 69 3.725 -7.709 3.472 1.00 1.32 H new ATOM 0 HG23 ILE A 69 4.110 -6.330 4.529 1.00 1.32 H new ATOM 0 HD11 ILE A 69 5.950 -3.121 3.775 1.00 1.33 H new ATOM 0 HD12 ILE A 69 4.817 -4.268 4.529 1.00 1.33 H new ATOM 0 HD13 ILE A 69 6.563 -4.612 4.528 1.00 1.33 H new ATOM 1051 N THR A 70 6.178 -9.467 2.315 1.00 1.26 N ATOM 1052 CA THR A 70 5.969 -10.932 2.241 1.00 1.24 C ATOM 1053 C THR A 70 7.274 -11.718 2.065 1.00 1.21 C ATOM 1054 O THR A 70 7.308 -12.931 2.296 1.00 1.25 O ATOM 1055 CB THR A 70 4.958 -11.302 1.143 1.00 1.23 C ATOM 1056 OG1 THR A 70 5.377 -10.774 -0.086 1.00 1.27 O ATOM 1057 CG2 THR A 70 3.565 -10.740 1.417 1.00 1.44 C ATOM 0 H THR A 70 6.405 -9.048 1.413 1.00 1.26 H new ATOM 0 HA THR A 70 5.555 -11.224 3.206 1.00 1.24 H new ATOM 0 HB THR A 70 4.909 -12.391 1.125 1.00 1.23 H new ATOM 0 HG1 THR A 70 4.594 -10.566 -0.637 1.00 1.27 H new ATOM 0 HG21 THR A 70 2.891 -11.031 0.612 1.00 1.44 H new ATOM 0 HG22 THR A 70 3.193 -11.135 2.362 1.00 1.44 H new ATOM 0 HG23 THR A 70 3.616 -9.653 1.473 1.00 1.44 H new ATOM 1065 N GLY A 71 8.381 -11.043 1.725 1.00 1.20 N ATOM 1066 CA GLY A 71 9.743 -11.602 1.733 1.00 1.22 C ATOM 1067 C GLY A 71 10.167 -12.302 0.439 1.00 1.11 C ATOM 1068 O GLY A 71 11.288 -12.805 0.348 1.00 1.25 O ATOM 0 H GLY A 71 8.355 -10.067 1.429 1.00 1.20 H new ATOM 0 HA2 GLY A 71 10.448 -10.797 1.940 1.00 1.22 H new ATOM 0 HA3 GLY A 71 9.822 -12.313 2.555 1.00 1.22 H new ATOM 1072 N GLU A 72 9.284 -12.346 -0.558 1.00 1.04 N ATOM 1073 CA GLU A 72 9.524 -12.957 -1.868 1.00 0.98 C ATOM 1074 C GLU A 72 10.265 -12.000 -2.822 1.00 1.23 C ATOM 1075 O GLU A 72 9.787 -10.910 -3.130 1.00 2.81 O ATOM 1076 CB GLU A 72 8.223 -13.546 -2.457 1.00 1.60 C ATOM 1077 CG GLU A 72 6.889 -12.833 -2.151 1.00 0.96 C ATOM 1078 CD GLU A 72 5.684 -13.669 -2.604 1.00 1.93 C ATOM 1079 OE1 GLU A 72 5.683 -14.206 -3.740 1.00 2.69 O ATOM 1080 OE2 GLU A 72 4.719 -13.857 -1.823 1.00 3.02 O ATOM 0 H GLU A 72 8.350 -11.944 -0.475 1.00 1.04 H new ATOM 0 HA GLU A 72 10.199 -13.802 -1.731 1.00 0.98 H new ATOM 0 HB2 GLU A 72 8.337 -13.585 -3.540 1.00 1.60 H new ATOM 0 HB3 GLU A 72 8.137 -14.575 -2.108 1.00 1.60 H new ATOM 0 HG2 GLU A 72 6.816 -12.639 -1.081 1.00 0.96 H new ATOM 0 HG3 GLU A 72 6.870 -11.865 -2.652 1.00 0.96 H new ATOM 1087 N ALA A 73 11.435 -12.413 -3.326 1.00 1.09 N ATOM 1088 CA ALA A 73 12.342 -11.586 -4.142 1.00 1.06 C ATOM 1089 C ALA A 73 11.980 -11.583 -5.648 1.00 1.00 C ATOM 1090 O ALA A 73 12.782 -11.211 -6.514 1.00 1.21 O ATOM 1091 CB ALA A 73 13.781 -12.039 -3.862 1.00 1.32 C ATOM 0 H ALA A 73 11.789 -13.357 -3.175 1.00 1.09 H new ATOM 0 HA ALA A 73 12.233 -10.541 -3.853 1.00 1.06 H new ATOM 0 HB1 ALA A 73 14.473 -11.441 -4.455 1.00 1.32 H new ATOM 0 HB2 ALA A 73 14.004 -11.908 -2.803 1.00 1.32 H new ATOM 0 HB3 ALA A 73 13.890 -13.090 -4.128 1.00 1.32 H new ATOM 1097 N MET A 74 10.771 -12.053 -5.947 1.00 1.06 N ATOM 1098 CA MET A 74 10.199 -12.277 -7.270 1.00 1.20 C ATOM 1099 C MET A 74 8.849 -11.545 -7.334 1.00 1.17 C ATOM 1100 O MET A 74 7.897 -12.023 -6.709 1.00 1.48 O ATOM 1101 CB MET A 74 10.018 -13.789 -7.475 1.00 1.48 C ATOM 1102 CG MET A 74 11.348 -14.517 -7.696 1.00 2.10 C ATOM 1103 SD MET A 74 11.255 -16.321 -7.522 1.00 2.94 S ATOM 1104 CE MET A 74 9.966 -16.741 -8.726 1.00 3.25 C ATOM 0 H MET A 74 10.114 -12.307 -5.209 1.00 1.06 H new ATOM 0 HA MET A 74 10.849 -11.896 -8.058 1.00 1.20 H new ATOM 0 HB2 MET A 74 9.517 -14.212 -6.605 1.00 1.48 H new ATOM 0 HB3 MET A 74 9.367 -13.960 -8.333 1.00 1.48 H new ATOM 0 HG2 MET A 74 11.717 -14.279 -8.694 1.00 2.10 H new ATOM 0 HG3 MET A 74 12.080 -14.133 -6.986 1.00 2.10 H new ATOM 0 HE1 MET A 74 9.855 -17.824 -8.777 1.00 3.25 H new ATOM 0 HE2 MET A 74 9.021 -16.293 -8.418 1.00 3.25 H new ATOM 0 HE3 MET A 74 10.246 -16.359 -9.707 1.00 3.25 H new ATOM 1114 N PRO A 75 8.746 -10.404 -8.045 1.00 1.04 N ATOM 1115 CA PRO A 75 7.549 -9.569 -8.048 1.00 1.05 C ATOM 1116 C PRO A 75 6.267 -10.301 -8.466 1.00 0.90 C ATOM 1117 O PRO A 75 6.282 -11.300 -9.198 1.00 0.88 O ATOM 1118 CB PRO A 75 7.889 -8.359 -8.921 1.00 1.23 C ATOM 1119 CG PRO A 75 9.388 -8.203 -8.676 1.00 1.96 C ATOM 1120 CD PRO A 75 9.844 -9.660 -8.648 1.00 1.29 C ATOM 0 HA PRO A 75 7.300 -9.257 -7.034 1.00 1.05 H new ATOM 0 HB2 PRO A 75 7.664 -8.538 -9.972 1.00 1.23 H new ATOM 0 HB3 PRO A 75 7.332 -7.471 -8.622 1.00 1.23 H new ATOM 0 HG2 PRO A 75 9.876 -7.635 -9.468 1.00 1.96 H new ATOM 0 HG3 PRO A 75 9.599 -7.689 -7.738 1.00 1.96 H new ATOM 0 HD2 PRO A 75 10.058 -10.023 -9.653 1.00 1.29 H new ATOM 0 HD3 PRO A 75 10.759 -9.773 -8.067 1.00 1.29 H new ATOM 1128 N VAL A 76 5.145 -9.790 -7.962 1.00 0.89 N ATOM 1129 CA VAL A 76 3.821 -10.420 -7.978 1.00 0.85 C ATOM 1130 C VAL A 76 2.870 -9.675 -8.913 1.00 0.73 C ATOM 1131 O VAL A 76 2.701 -8.460 -8.808 1.00 0.72 O ATOM 1132 CB VAL A 76 3.266 -10.493 -6.538 1.00 0.92 C ATOM 1133 CG1 VAL A 76 2.007 -11.363 -6.473 1.00 0.95 C ATOM 1134 CG2 VAL A 76 4.277 -11.088 -5.542 1.00 0.99 C ATOM 0 H VAL A 76 5.132 -8.877 -7.507 1.00 0.89 H new ATOM 0 HA VAL A 76 3.913 -11.435 -8.364 1.00 0.85 H new ATOM 0 HB VAL A 76 3.045 -9.462 -6.263 1.00 0.92 H new ATOM 0 HG11 VAL A 76 1.640 -11.395 -5.447 1.00 0.95 H new ATOM 0 HG12 VAL A 76 1.239 -10.940 -7.120 1.00 0.95 H new ATOM 0 HG13 VAL A 76 2.245 -12.373 -6.805 1.00 0.95 H new ATOM 0 HG21 VAL A 76 3.834 -11.115 -4.546 1.00 0.99 H new ATOM 0 HG22 VAL A 76 4.539 -12.100 -5.850 1.00 0.99 H new ATOM 0 HG23 VAL A 76 5.175 -10.471 -5.523 1.00 0.99 H new ATOM 1144 N ALA A 77 2.228 -10.394 -9.831 1.00 0.67 N ATOM 1145 CA ALA A 77 1.318 -9.810 -10.813 1.00 0.59 C ATOM 1146 C ALA A 77 -0.063 -9.508 -10.199 1.00 0.60 C ATOM 1147 O ALA A 77 -0.686 -10.381 -9.585 1.00 0.81 O ATOM 1148 CB ALA A 77 1.237 -10.750 -12.018 1.00 0.66 C ATOM 0 H ALA A 77 2.326 -11.406 -9.915 1.00 0.67 H new ATOM 0 HA ALA A 77 1.702 -8.846 -11.147 1.00 0.59 H new ATOM 0 HB1 ALA A 77 0.561 -10.330 -12.763 1.00 0.66 H new ATOM 0 HB2 ALA A 77 2.229 -10.869 -12.454 1.00 0.66 H new ATOM 0 HB3 ALA A 77 0.863 -11.722 -11.697 1.00 0.66 H new ATOM 1154 N LYS A 78 -0.556 -8.280 -10.382 1.00 0.49 N ATOM 1155 CA LYS A 78 -1.826 -7.759 -9.850 1.00 0.52 C ATOM 1156 C LYS A 78 -2.728 -7.289 -10.998 1.00 0.69 C ATOM 1157 O LYS A 78 -2.240 -6.760 -12.001 1.00 0.86 O ATOM 1158 CB LYS A 78 -1.567 -6.595 -8.872 1.00 0.49 C ATOM 1159 CG LYS A 78 -0.505 -6.835 -7.783 1.00 0.47 C ATOM 1160 CD LYS A 78 -0.922 -7.859 -6.713 1.00 0.51 C ATOM 1161 CE LYS A 78 0.206 -8.062 -5.688 1.00 0.61 C ATOM 1162 NZ LYS A 78 -0.225 -8.887 -4.531 1.00 0.73 N ATOM 0 H LYS A 78 -0.056 -7.583 -10.934 1.00 0.49 H new ATOM 0 HA LYS A 78 -2.328 -8.562 -9.310 1.00 0.52 H new ATOM 0 HB2 LYS A 78 -1.269 -5.722 -9.452 1.00 0.49 H new ATOM 0 HB3 LYS A 78 -2.508 -6.346 -8.382 1.00 0.49 H new ATOM 0 HG2 LYS A 78 0.415 -7.176 -8.257 1.00 0.47 H new ATOM 0 HG3 LYS A 78 -0.280 -5.887 -7.295 1.00 0.47 H new ATOM 0 HD2 LYS A 78 -1.824 -7.516 -6.206 1.00 0.51 H new ATOM 0 HD3 LYS A 78 -1.165 -8.810 -7.187 1.00 0.51 H new ATOM 0 HE2 LYS A 78 1.055 -8.540 -6.176 1.00 0.61 H new ATOM 0 HE3 LYS A 78 0.549 -7.091 -5.331 1.00 0.61 H new ATOM 0 HZ1 LYS A 78 0.573 -9.010 -3.876 1.00 0.73 H new ATOM 0 HZ2 LYS A 78 -1.007 -8.411 -4.038 1.00 0.73 H new ATOM 0 HZ3 LYS A 78 -0.543 -9.818 -4.868 1.00 0.73 H new ATOM 1176 N LYS A 79 -4.036 -7.477 -10.838 1.00 0.76 N ATOM 1177 CA LYS A 79 -5.122 -7.237 -11.806 1.00 0.93 C ATOM 1178 C LYS A 79 -6.440 -7.007 -11.029 1.00 0.79 C ATOM 1179 O LYS A 79 -6.412 -6.994 -9.797 1.00 0.74 O ATOM 1180 CB LYS A 79 -5.190 -8.476 -12.735 1.00 1.26 C ATOM 1181 CG LYS A 79 -4.430 -8.248 -14.057 1.00 3.40 C ATOM 1182 CD LYS A 79 -4.237 -9.535 -14.869 1.00 3.80 C ATOM 1183 CE LYS A 79 -5.572 -10.114 -15.339 1.00 3.29 C ATOM 1184 NZ LYS A 79 -5.387 -11.394 -16.054 1.00 3.69 N ATOM 0 H LYS A 79 -4.402 -7.831 -9.955 1.00 0.76 H new ATOM 0 HA LYS A 79 -4.948 -6.350 -12.416 1.00 0.93 H new ATOM 0 HB2 LYS A 79 -4.770 -9.339 -12.219 1.00 1.26 H new ATOM 0 HB3 LYS A 79 -6.232 -8.710 -12.952 1.00 1.26 H new ATOM 0 HG2 LYS A 79 -4.974 -7.522 -14.661 1.00 3.40 H new ATOM 0 HG3 LYS A 79 -3.455 -7.814 -13.838 1.00 3.40 H new ATOM 0 HD2 LYS A 79 -3.606 -9.329 -15.733 1.00 3.80 H new ATOM 0 HD3 LYS A 79 -3.714 -10.273 -14.261 1.00 3.80 H new ATOM 0 HE2 LYS A 79 -6.226 -10.267 -14.480 1.00 3.29 H new ATOM 0 HE3 LYS A 79 -6.069 -9.399 -15.994 1.00 3.29 H new ATOM 0 HZ1 LYS A 79 -6.312 -11.758 -16.359 1.00 3.69 H new ATOM 0 HZ2 LYS A 79 -4.783 -11.242 -16.887 1.00 3.69 H new ATOM 0 HZ3 LYS A 79 -4.935 -12.084 -15.420 1.00 3.69 H new ATOM 1198 N PRO A 80 -7.608 -6.807 -11.671 1.00 0.82 N ATOM 1199 CA PRO A 80 -8.893 -6.840 -10.975 1.00 0.83 C ATOM 1200 C PRO A 80 -9.092 -8.143 -10.175 1.00 0.87 C ATOM 1201 O PRO A 80 -8.853 -9.250 -10.669 1.00 1.03 O ATOM 1202 CB PRO A 80 -9.967 -6.639 -12.053 1.00 0.93 C ATOM 1203 CG PRO A 80 -9.235 -6.839 -13.378 1.00 1.04 C ATOM 1204 CD PRO A 80 -7.810 -6.427 -13.056 1.00 0.98 C ATOM 0 HA PRO A 80 -8.950 -6.052 -10.224 1.00 0.83 H new ATOM 0 HB2 PRO A 80 -10.780 -7.355 -11.939 1.00 0.93 H new ATOM 0 HB3 PRO A 80 -10.408 -5.644 -11.991 1.00 0.93 H new ATOM 0 HG2 PRO A 80 -9.288 -7.874 -13.714 1.00 1.04 H new ATOM 0 HG3 PRO A 80 -9.662 -6.224 -14.170 1.00 1.04 H new ATOM 0 HD2 PRO A 80 -7.097 -6.930 -13.710 1.00 0.98 H new ATOM 0 HD3 PRO A 80 -7.669 -5.355 -13.195 1.00 0.98 H new ATOM 1212 N GLY A 81 -9.537 -8.011 -8.926 1.00 0.86 N ATOM 1213 CA GLY A 81 -9.621 -9.091 -7.943 1.00 0.89 C ATOM 1214 C GLY A 81 -8.277 -9.492 -7.319 1.00 0.84 C ATOM 1215 O GLY A 81 -8.130 -10.655 -6.940 1.00 0.91 O ATOM 0 H GLY A 81 -9.861 -7.117 -8.557 1.00 0.86 H new ATOM 0 HA2 GLY A 81 -10.301 -8.788 -7.147 1.00 0.89 H new ATOM 0 HA3 GLY A 81 -10.061 -9.966 -8.421 1.00 0.89 H new ATOM 1219 N SER A 82 -7.301 -8.581 -7.204 1.00 0.82 N ATOM 1220 CA SER A 82 -5.998 -8.830 -6.535 1.00 0.73 C ATOM 1221 C SER A 82 -5.894 -8.022 -5.234 1.00 0.74 C ATOM 1222 O SER A 82 -6.725 -7.147 -4.998 1.00 0.84 O ATOM 1223 CB SER A 82 -4.816 -8.484 -7.449 1.00 0.66 C ATOM 1224 OG SER A 82 -4.815 -9.220 -8.656 1.00 1.85 O ATOM 0 H SER A 82 -7.387 -7.635 -7.575 1.00 0.82 H new ATOM 0 HA SER A 82 -5.953 -9.895 -6.305 1.00 0.73 H new ATOM 0 HB2 SER A 82 -4.842 -7.419 -7.680 1.00 0.66 H new ATOM 0 HB3 SER A 82 -3.884 -8.672 -6.915 1.00 0.66 H new ATOM 0 HG SER A 82 -4.075 -9.862 -8.647 1.00 1.85 H new ATOM 1230 N THR A 83 -4.887 -8.249 -4.382 1.00 0.82 N ATOM 1231 CA THR A 83 -4.731 -7.517 -3.104 1.00 0.86 C ATOM 1232 C THR A 83 -3.339 -6.895 -2.966 1.00 0.79 C ATOM 1233 O THR A 83 -2.356 -7.420 -3.493 1.00 0.70 O ATOM 1234 CB THR A 83 -5.063 -8.401 -1.888 1.00 0.96 C ATOM 1235 OG1 THR A 83 -4.121 -9.439 -1.725 1.00 0.92 O ATOM 1236 CG2 THR A 83 -6.461 -9.017 -1.969 1.00 1.09 C ATOM 0 H THR A 83 -4.157 -8.941 -4.551 1.00 0.82 H new ATOM 0 HA THR A 83 -5.455 -6.702 -3.125 1.00 0.86 H new ATOM 0 HB THR A 83 -5.027 -7.733 -1.027 1.00 0.96 H new ATOM 0 HG1 THR A 83 -4.361 -9.979 -0.943 1.00 0.92 H new ATOM 0 HG21 THR A 83 -6.640 -9.630 -1.086 1.00 1.09 H new ATOM 0 HG22 THR A 83 -7.206 -8.223 -2.017 1.00 1.09 H new ATOM 0 HG23 THR A 83 -6.534 -9.638 -2.862 1.00 1.09 H new ATOM 1244 N VAL A 84 -3.237 -5.751 -2.282 1.00 0.85 N ATOM 1245 CA VAL A 84 -1.970 -5.032 -2.045 1.00 0.76 C ATOM 1246 C VAL A 84 -1.838 -4.566 -0.595 1.00 0.85 C ATOM 1247 O VAL A 84 -2.830 -4.261 0.071 1.00 1.06 O ATOM 1248 CB VAL A 84 -1.766 -3.846 -3.015 1.00 0.69 C ATOM 1249 CG1 VAL A 84 -1.505 -4.338 -4.444 1.00 0.64 C ATOM 1250 CG2 VAL A 84 -2.945 -2.863 -3.035 1.00 0.84 C ATOM 0 H VAL A 84 -4.045 -5.286 -1.868 1.00 0.85 H new ATOM 0 HA VAL A 84 -1.179 -5.755 -2.243 1.00 0.76 H new ATOM 0 HB VAL A 84 -0.895 -3.311 -2.636 1.00 0.69 H new ATOM 0 HG11 VAL A 84 -1.365 -3.482 -5.104 1.00 0.64 H new ATOM 0 HG12 VAL A 84 -0.608 -4.957 -4.458 1.00 0.64 H new ATOM 0 HG13 VAL A 84 -2.356 -4.926 -4.788 1.00 0.64 H new ATOM 0 HG21 VAL A 84 -2.734 -2.056 -3.737 1.00 0.84 H new ATOM 0 HG22 VAL A 84 -3.850 -3.386 -3.345 1.00 0.84 H new ATOM 0 HG23 VAL A 84 -3.089 -2.448 -2.038 1.00 0.84 H new ATOM 1260 N ILE A 85 -0.597 -4.508 -0.115 1.00 0.75 N ATOM 1261 CA ILE A 85 -0.200 -4.055 1.226 1.00 0.84 C ATOM 1262 C ILE A 85 0.730 -2.844 1.136 1.00 0.71 C ATOM 1263 O ILE A 85 1.483 -2.687 0.169 1.00 0.91 O ATOM 1264 CB ILE A 85 0.432 -5.180 2.093 1.00 1.04 C ATOM 1265 CG1 ILE A 85 1.025 -6.393 1.339 1.00 1.43 C ATOM 1266 CG2 ILE A 85 -0.615 -5.718 3.077 1.00 1.43 C ATOM 1267 CD1 ILE A 85 2.171 -6.061 0.378 1.00 1.03 C ATOM 0 H ILE A 85 0.205 -4.790 -0.678 1.00 0.75 H new ATOM 0 HA ILE A 85 -1.117 -3.759 1.735 1.00 0.84 H new ATOM 0 HB ILE A 85 1.276 -4.688 2.576 1.00 1.04 H new ATOM 0 HG12 ILE A 85 1.383 -7.117 2.071 1.00 1.43 H new ATOM 0 HG13 ILE A 85 0.227 -6.877 0.776 1.00 1.43 H new ATOM 0 HG21 ILE A 85 -0.172 -6.507 3.685 1.00 1.43 H new ATOM 0 HG22 ILE A 85 -0.956 -4.910 3.724 1.00 1.43 H new ATOM 0 HG23 ILE A 85 -1.463 -6.120 2.522 1.00 1.43 H new ATOM 0 HD11 ILE A 85 2.519 -6.975 -0.102 1.00 1.03 H new ATOM 0 HD12 ILE A 85 1.818 -5.364 -0.382 1.00 1.03 H new ATOM 0 HD13 ILE A 85 2.992 -5.608 0.934 1.00 1.03 H new ATOM 1279 N ALA A 86 0.679 -1.992 2.159 1.00 0.66 N ATOM 1280 CA ALA A 86 1.492 -0.786 2.228 1.00 0.56 C ATOM 1281 C ALA A 86 2.998 -1.113 2.201 1.00 0.63 C ATOM 1282 O ALA A 86 3.441 -2.069 2.832 1.00 0.82 O ATOM 1283 CB ALA A 86 1.079 0.005 3.476 1.00 0.63 C ATOM 0 H ALA A 86 0.068 -2.123 2.966 1.00 0.66 H new ATOM 0 HA ALA A 86 1.316 -0.168 1.347 1.00 0.56 H new ATOM 0 HB1 ALA A 86 1.677 0.913 3.546 1.00 0.63 H new ATOM 0 HB2 ALA A 86 0.024 0.270 3.406 1.00 0.63 H new ATOM 0 HB3 ALA A 86 1.242 -0.606 4.364 1.00 0.63 H new ATOM 1289 N GLY A 87 3.791 -0.333 1.461 1.00 0.70 N ATOM 1290 CA GLY A 87 5.228 -0.589 1.290 1.00 1.00 C ATOM 1291 C GLY A 87 5.586 -1.588 0.176 1.00 1.22 C ATOM 1292 O GLY A 87 6.759 -1.922 0.010 1.00 1.70 O ATOM 0 H GLY A 87 3.458 0.493 0.964 1.00 0.70 H new ATOM 0 HA2 GLY A 87 5.727 0.357 1.082 1.00 1.00 H new ATOM 0 HA3 GLY A 87 5.629 -0.961 2.233 1.00 1.00 H new ATOM 1296 N SER A 88 4.606 -2.080 -0.587 1.00 1.01 N ATOM 1297 CA SER A 88 4.860 -2.824 -1.830 1.00 1.14 C ATOM 1298 C SER A 88 4.952 -1.855 -3.019 1.00 1.03 C ATOM 1299 O SER A 88 4.250 -0.845 -3.046 1.00 1.04 O ATOM 1300 CB SER A 88 3.857 -3.963 -2.022 1.00 1.18 C ATOM 1301 OG SER A 88 2.520 -3.521 -2.160 1.00 1.75 O ATOM 0 H SER A 88 3.616 -1.976 -0.364 1.00 1.01 H new ATOM 0 HA SER A 88 5.829 -3.318 -1.762 1.00 1.14 H new ATOM 0 HB2 SER A 88 4.135 -4.536 -2.907 1.00 1.18 H new ATOM 0 HB3 SER A 88 3.921 -4.640 -1.170 1.00 1.18 H new ATOM 0 HG SER A 88 2.244 -3.054 -1.344 1.00 1.75 H new ATOM 1307 N ILE A 89 5.844 -2.116 -3.983 1.00 0.94 N ATOM 1308 CA ILE A 89 6.222 -1.136 -5.023 1.00 0.85 C ATOM 1309 C ILE A 89 5.694 -1.503 -6.416 1.00 0.67 C ATOM 1310 O ILE A 89 6.085 -2.527 -6.980 1.00 0.72 O ATOM 1311 CB ILE A 89 7.758 -0.921 -5.062 1.00 1.02 C ATOM 1312 CG1 ILE A 89 8.480 -0.956 -3.692 1.00 1.17 C ATOM 1313 CG2 ILE A 89 8.061 0.389 -5.815 1.00 1.05 C ATOM 1314 CD1 ILE A 89 8.088 0.142 -2.699 1.00 1.18 C ATOM 0 H ILE A 89 6.327 -3.010 -4.069 1.00 0.94 H new ATOM 0 HA ILE A 89 5.743 -0.198 -4.741 1.00 0.85 H new ATOM 0 HB ILE A 89 8.168 -1.783 -5.589 1.00 1.02 H new ATOM 0 HG12 ILE A 89 8.289 -1.923 -3.228 1.00 1.17 H new ATOM 0 HG13 ILE A 89 9.554 -0.893 -3.868 1.00 1.17 H new ATOM 0 HG21 ILE A 89 9.139 0.549 -5.848 1.00 1.05 H new ATOM 0 HG22 ILE A 89 7.673 0.323 -6.831 1.00 1.05 H new ATOM 0 HG23 ILE A 89 7.586 1.223 -5.299 1.00 1.05 H new ATOM 0 HD11 ILE A 89 8.656 0.018 -1.777 1.00 1.18 H new ATOM 0 HD12 ILE A 89 8.307 1.118 -3.131 1.00 1.18 H new ATOM 0 HD13 ILE A 89 7.022 0.072 -2.481 1.00 1.18 H new ATOM 1326 N ASN A 90 4.880 -0.636 -7.024 1.00 0.69 N ATOM 1327 CA ASN A 90 4.313 -0.829 -8.365 1.00 0.62 C ATOM 1328 C ASN A 90 5.367 -0.559 -9.455 1.00 0.83 C ATOM 1329 O ASN A 90 5.998 0.492 -9.460 1.00 0.87 O ATOM 1330 CB ASN A 90 3.098 0.111 -8.511 1.00 0.61 C ATOM 1331 CG ASN A 90 2.424 0.058 -9.875 1.00 0.89 C ATOM 1332 OD1 ASN A 90 2.788 -0.681 -10.777 1.00 2.00 O ATOM 1333 ND2 ASN A 90 1.423 0.874 -10.066 1.00 0.42 N ATOM 0 H ASN A 90 4.589 0.240 -6.589 1.00 0.69 H new ATOM 0 HA ASN A 90 3.993 -1.864 -8.490 1.00 0.62 H new ATOM 0 HB2 ASN A 90 2.364 -0.142 -7.746 1.00 0.61 H new ATOM 0 HB3 ASN A 90 3.420 1.134 -8.318 1.00 0.61 H new ATOM 0 HD21 ASN A 90 0.946 0.894 -10.967 1.00 0.42 H new ATOM 0 HD22 ASN A 90 1.118 1.492 -9.314 1.00 0.42 H new ATOM 1340 N GLN A 91 5.534 -1.485 -10.402 1.00 1.08 N ATOM 1341 CA GLN A 91 6.596 -1.438 -11.414 1.00 1.53 C ATOM 1342 C GLN A 91 6.109 -1.066 -12.821 1.00 1.75 C ATOM 1343 O GLN A 91 6.876 -0.494 -13.599 1.00 3.11 O ATOM 1344 CB GLN A 91 7.250 -2.828 -11.528 1.00 1.75 C ATOM 1345 CG GLN A 91 7.688 -3.439 -10.195 1.00 3.77 C ATOM 1346 CD GLN A 91 8.887 -2.730 -9.574 1.00 4.24 C ATOM 1347 OE1 GLN A 91 9.940 -2.576 -10.188 1.00 4.01 O ATOM 1348 NE2 GLN A 91 8.779 -2.293 -8.341 1.00 5.44 N ATOM 0 H GLN A 91 4.928 -2.301 -10.490 1.00 1.08 H new ATOM 0 HA GLN A 91 7.285 -0.664 -11.077 1.00 1.53 H new ATOM 0 HB2 GLN A 91 6.547 -3.507 -12.010 1.00 1.75 H new ATOM 0 HB3 GLN A 91 8.119 -2.753 -12.181 1.00 1.75 H new ATOM 0 HG2 GLN A 91 6.853 -3.406 -9.496 1.00 3.77 H new ATOM 0 HG3 GLN A 91 7.935 -4.490 -10.348 1.00 3.77 H new ATOM 0 HE21 GLN A 91 7.906 -2.420 -7.830 1.00 5.44 H new ATOM 0 HE22 GLN A 91 9.568 -1.826 -7.894 1.00 5.44 H new ATOM 1357 N ASN A 92 4.860 -1.401 -13.170 1.00 1.47 N ATOM 1358 CA ASN A 92 4.406 -1.365 -14.567 1.00 1.68 C ATOM 1359 C ASN A 92 3.496 -0.191 -14.963 1.00 1.66 C ATOM 1360 O ASN A 92 3.714 0.404 -16.022 1.00 2.62 O ATOM 1361 CB ASN A 92 3.771 -2.729 -14.920 1.00 2.22 C ATOM 1362 CG ASN A 92 3.598 -2.943 -16.421 1.00 2.68 C ATOM 1363 OD1 ASN A 92 4.188 -2.258 -17.244 1.00 2.95 O ATOM 1364 ND2 ASN A 92 2.795 -3.893 -16.832 1.00 3.15 N ATOM 0 H ASN A 92 4.146 -1.700 -12.505 1.00 1.47 H new ATOM 0 HA ASN A 92 5.299 -1.181 -15.165 1.00 1.68 H new ATOM 0 HB2 ASN A 92 4.393 -3.527 -14.515 1.00 2.22 H new ATOM 0 HB3 ASN A 92 2.798 -2.806 -14.434 1.00 2.22 H new ATOM 0 HD21 ASN A 92 2.667 -4.056 -17.831 1.00 3.15 H new ATOM 0 HD22 ASN A 92 2.298 -4.470 -16.153 1.00 3.15 H new ATOM 1371 N GLY A 93 2.480 0.158 -14.168 1.00 1.60 N ATOM 1372 CA GLY A 93 1.450 1.086 -14.674 1.00 2.07 C ATOM 1373 C GLY A 93 0.297 1.467 -13.740 1.00 1.70 C ATOM 1374 O GLY A 93 0.502 1.702 -12.552 1.00 2.52 O ATOM 0 H GLY A 93 2.345 -0.168 -13.211 1.00 1.60 H new ATOM 0 HA2 GLY A 93 1.950 2.006 -14.977 1.00 2.07 H new ATOM 0 HA3 GLY A 93 1.019 0.646 -15.573 1.00 2.07 H new ATOM 1378 N SER A 94 -0.907 1.604 -14.305 1.00 1.03 N ATOM 1379 CA SER A 94 -2.121 2.079 -13.620 1.00 0.93 C ATOM 1380 C SER A 94 -2.925 0.932 -12.991 1.00 1.15 C ATOM 1381 O SER A 94 -3.016 -0.157 -13.562 1.00 1.97 O ATOM 1382 CB SER A 94 -2.991 2.882 -14.596 1.00 1.42 C ATOM 1383 OG SER A 94 -3.932 3.678 -13.895 1.00 2.04 O ATOM 0 H SER A 94 -1.072 1.380 -15.286 1.00 1.03 H new ATOM 0 HA SER A 94 -1.806 2.726 -12.801 1.00 0.93 H new ATOM 0 HB2 SER A 94 -2.358 3.519 -15.214 1.00 1.42 H new ATOM 0 HB3 SER A 94 -3.513 2.202 -15.269 1.00 1.42 H new ATOM 0 HG SER A 94 -4.475 4.183 -14.536 1.00 2.04 H new ATOM 1389 N LEU A 95 -3.530 1.193 -11.833 1.00 0.84 N ATOM 1390 CA LEU A 95 -4.512 0.326 -11.162 1.00 0.85 C ATOM 1391 C LEU A 95 -5.523 1.192 -10.396 1.00 0.96 C ATOM 1392 O LEU A 95 -5.204 2.315 -9.989 1.00 1.00 O ATOM 1393 CB LEU A 95 -3.826 -0.648 -10.178 1.00 0.69 C ATOM 1394 CG LEU A 95 -2.990 -1.807 -10.736 1.00 0.89 C ATOM 1395 CD1 LEU A 95 -2.362 -2.570 -9.564 1.00 0.78 C ATOM 1396 CD2 LEU A 95 -3.840 -2.778 -11.542 1.00 1.11 C ATOM 0 H LEU A 95 -3.345 2.049 -11.310 1.00 0.84 H new ATOM 0 HA LEU A 95 -5.021 -0.261 -11.926 1.00 0.85 H new ATOM 0 HB2 LEU A 95 -3.178 -0.058 -9.530 1.00 0.69 H new ATOM 0 HB3 LEU A 95 -4.603 -1.078 -9.546 1.00 0.69 H new ATOM 0 HG LEU A 95 -2.228 -1.389 -11.393 1.00 0.89 H new ATOM 0 HD11 LEU A 95 -1.764 -3.397 -9.947 1.00 0.78 H new ATOM 0 HD12 LEU A 95 -1.724 -1.897 -8.991 1.00 0.78 H new ATOM 0 HD13 LEU A 95 -3.150 -2.959 -8.919 1.00 0.78 H new ATOM 0 HD21 LEU A 95 -3.212 -3.584 -11.920 1.00 1.11 H new ATOM 0 HD22 LEU A 95 -4.620 -3.194 -10.905 1.00 1.11 H new ATOM 0 HD23 LEU A 95 -4.298 -2.252 -12.380 1.00 1.11 H new ATOM 1408 N LEU A 96 -6.691 0.619 -10.096 1.00 1.02 N ATOM 1409 CA LEU A 96 -7.693 1.198 -9.194 1.00 1.14 C ATOM 1410 C LEU A 96 -7.885 0.299 -7.961 1.00 1.07 C ATOM 1411 O LEU A 96 -8.184 -0.891 -8.103 1.00 1.05 O ATOM 1412 CB LEU A 96 -8.993 1.378 -9.992 1.00 1.45 C ATOM 1413 CG LEU A 96 -10.004 2.358 -9.389 1.00 1.38 C ATOM 1414 CD1 LEU A 96 -9.511 3.802 -9.509 1.00 1.85 C ATOM 1415 CD2 LEU A 96 -11.332 2.237 -10.135 1.00 2.36 C ATOM 0 H LEU A 96 -6.974 -0.282 -10.482 1.00 1.02 H new ATOM 0 HA LEU A 96 -7.368 2.169 -8.819 1.00 1.14 H new ATOM 0 HB2 LEU A 96 -8.739 1.717 -10.996 1.00 1.45 H new ATOM 0 HB3 LEU A 96 -9.473 0.405 -10.096 1.00 1.45 H new ATOM 0 HG LEU A 96 -10.128 2.112 -8.335 1.00 1.38 H new ATOM 0 HD11 LEU A 96 -10.249 4.476 -9.073 1.00 1.85 H new ATOM 0 HD12 LEU A 96 -8.564 3.908 -8.979 1.00 1.85 H new ATOM 0 HD13 LEU A 96 -9.369 4.052 -10.560 1.00 1.85 H new ATOM 0 HD21 LEU A 96 -12.054 2.933 -9.708 1.00 2.36 H new ATOM 0 HD22 LEU A 96 -11.180 2.472 -11.188 1.00 2.36 H new ATOM 0 HD23 LEU A 96 -11.711 1.219 -10.041 1.00 2.36 H new ATOM 1427 N ILE A 97 -7.697 0.849 -6.757 1.00 1.08 N ATOM 1428 CA ILE A 97 -7.652 0.090 -5.497 1.00 1.07 C ATOM 1429 C ILE A 97 -8.627 0.678 -4.471 1.00 1.00 C ATOM 1430 O ILE A 97 -8.576 1.870 -4.187 1.00 1.04 O ATOM 1431 CB ILE A 97 -6.212 0.071 -4.919 1.00 1.14 C ATOM 1432 CG1 ILE A 97 -5.127 -0.348 -5.941 1.00 1.33 C ATOM 1433 CG2 ILE A 97 -6.122 -0.891 -3.719 1.00 1.11 C ATOM 1434 CD1 ILE A 97 -4.524 0.823 -6.726 1.00 1.60 C ATOM 0 H ILE A 97 -7.569 1.852 -6.625 1.00 1.08 H new ATOM 0 HA ILE A 97 -7.954 -0.935 -5.712 1.00 1.07 H new ATOM 0 HB ILE A 97 -6.015 1.101 -4.623 1.00 1.14 H new ATOM 0 HG12 ILE A 97 -4.328 -0.869 -5.414 1.00 1.33 H new ATOM 0 HG13 ILE A 97 -5.560 -1.059 -6.645 1.00 1.33 H new ATOM 0 HG21 ILE A 97 -5.105 -0.890 -3.328 1.00 1.11 H new ATOM 0 HG22 ILE A 97 -6.811 -0.566 -2.939 1.00 1.11 H new ATOM 0 HG23 ILE A 97 -6.387 -1.899 -4.040 1.00 1.11 H new ATOM 0 HD11 ILE A 97 -3.773 0.447 -7.420 1.00 1.60 H new ATOM 0 HD12 ILE A 97 -5.311 1.331 -7.283 1.00 1.60 H new ATOM 0 HD13 ILE A 97 -4.059 1.524 -6.033 1.00 1.60 H new ATOM 1446 N CYS A 98 -9.479 -0.146 -3.859 1.00 0.95 N ATOM 1447 CA CYS A 98 -10.282 0.263 -2.705 1.00 0.93 C ATOM 1448 C CYS A 98 -9.474 0.057 -1.413 1.00 0.95 C ATOM 1449 O CYS A 98 -9.010 -1.053 -1.133 1.00 1.04 O ATOM 1450 CB CYS A 98 -11.624 -0.481 -2.711 1.00 0.95 C ATOM 1451 SG CYS A 98 -12.628 0.061 -1.294 1.00 3.11 S ATOM 0 H CYS A 98 -9.632 -1.112 -4.148 1.00 0.95 H new ATOM 0 HA CYS A 98 -10.518 1.326 -2.762 1.00 0.93 H new ATOM 0 HB2 CYS A 98 -12.156 -0.286 -3.642 1.00 0.95 H new ATOM 0 HB3 CYS A 98 -11.455 -1.557 -2.660 1.00 0.95 H new ATOM 0 HG CYS A 98 -12.337 1.294 -1.002 1.00 3.11 H new ATOM 1457 N ALA A 99 -9.307 1.119 -0.621 1.00 0.92 N ATOM 1458 CA ALA A 99 -8.627 1.073 0.670 1.00 0.93 C ATOM 1459 C ALA A 99 -9.580 0.500 1.729 1.00 1.02 C ATOM 1460 O ALA A 99 -10.662 1.040 1.952 1.00 1.10 O ATOM 1461 CB ALA A 99 -8.153 2.487 1.027 1.00 0.91 C ATOM 0 H ALA A 99 -9.647 2.049 -0.865 1.00 0.92 H new ATOM 0 HA ALA A 99 -7.754 0.421 0.627 1.00 0.93 H new ATOM 0 HB1 ALA A 99 -7.643 2.467 1.990 1.00 0.91 H new ATOM 0 HB2 ALA A 99 -7.466 2.845 0.260 1.00 0.91 H new ATOM 0 HB3 ALA A 99 -9.012 3.155 1.085 1.00 0.91 H new ATOM 1467 N THR A 100 -9.189 -0.597 2.382 1.00 1.08 N ATOM 1468 CA THR A 100 -10.086 -1.384 3.259 1.00 1.32 C ATOM 1469 C THR A 100 -9.679 -1.371 4.737 1.00 1.31 C ATOM 1470 O THR A 100 -10.393 -1.922 5.580 1.00 1.51 O ATOM 1471 CB THR A 100 -10.230 -2.801 2.675 1.00 1.56 C ATOM 1472 OG1 THR A 100 -11.369 -3.461 3.183 1.00 2.46 O ATOM 1473 CG2 THR A 100 -9.003 -3.673 2.933 1.00 1.96 C ATOM 0 H THR A 100 -8.242 -0.972 2.323 1.00 1.08 H new ATOM 0 HA THR A 100 -11.065 -0.905 3.268 1.00 1.32 H new ATOM 0 HB THR A 100 -10.336 -2.661 1.599 1.00 1.56 H new ATOM 0 HG1 THR A 100 -11.471 -3.252 4.135 1.00 2.46 H new ATOM 0 HG21 THR A 100 -9.161 -4.660 2.499 1.00 1.96 H new ATOM 0 HG22 THR A 100 -8.127 -3.212 2.477 1.00 1.96 H new ATOM 0 HG23 THR A 100 -8.845 -3.770 4.007 1.00 1.96 H new ATOM 1481 N HIS A 101 -8.590 -0.663 5.054 1.00 1.17 N ATOM 1482 CA HIS A 101 -8.057 -0.423 6.394 1.00 1.23 C ATOM 1483 C HIS A 101 -7.397 0.966 6.490 1.00 1.13 C ATOM 1484 O HIS A 101 -6.859 1.462 5.498 1.00 1.02 O ATOM 1485 CB HIS A 101 -7.019 -1.512 6.692 1.00 1.29 C ATOM 1486 CG HIS A 101 -7.623 -2.870 6.925 1.00 1.43 C ATOM 1487 ND1 HIS A 101 -7.419 -3.993 6.161 1.00 1.55 N ATOM 1488 CD2 HIS A 101 -8.474 -3.219 7.937 1.00 1.70 C ATOM 1489 CE1 HIS A 101 -8.133 -4.999 6.691 1.00 1.77 C ATOM 1490 NE2 HIS A 101 -8.787 -4.577 7.789 1.00 1.85 N ATOM 0 H HIS A 101 -8.023 -0.215 4.334 1.00 1.17 H new ATOM 0 HA HIS A 101 -8.870 -0.453 7.119 1.00 1.23 H new ATOM 0 HB2 HIS A 101 -6.319 -1.573 5.859 1.00 1.29 H new ATOM 0 HB3 HIS A 101 -6.444 -1.223 7.572 1.00 1.29 H new ATOM 0 HD1 HIS A 101 -6.827 -4.053 5.333 1.00 1.55 H new ATOM 0 HD2 HIS A 101 -8.840 -2.564 8.713 1.00 1.70 H new ATOM 0 HE1 HIS A 101 -8.176 -6.002 6.294 1.00 1.77 H new ATOM 1498 N VAL A 102 -7.405 1.581 7.679 1.00 1.20 N ATOM 1499 CA VAL A 102 -6.629 2.809 7.977 1.00 1.22 C ATOM 1500 C VAL A 102 -5.179 2.510 8.359 1.00 1.25 C ATOM 1501 O VAL A 102 -4.827 1.370 8.668 1.00 1.22 O ATOM 1502 CB VAL A 102 -7.300 3.695 9.043 1.00 1.28 C ATOM 1503 CG1 VAL A 102 -8.518 4.375 8.430 1.00 1.95 C ATOM 1504 CG2 VAL A 102 -7.713 2.944 10.310 1.00 1.95 C ATOM 0 H VAL A 102 -7.951 1.245 8.472 1.00 1.20 H new ATOM 0 HA VAL A 102 -6.616 3.373 7.044 1.00 1.22 H new ATOM 0 HB VAL A 102 -6.554 4.425 9.357 1.00 1.28 H new ATOM 0 HG11 VAL A 102 -8.999 5.004 9.179 1.00 1.95 H new ATOM 0 HG12 VAL A 102 -8.205 4.990 7.586 1.00 1.95 H new ATOM 0 HG13 VAL A 102 -9.223 3.618 8.086 1.00 1.95 H new ATOM 0 HG21 VAL A 102 -8.178 3.639 11.010 1.00 1.95 H new ATOM 0 HG22 VAL A 102 -8.424 2.159 10.052 1.00 1.95 H new ATOM 0 HG23 VAL A 102 -6.832 2.498 10.772 1.00 1.95 H new ATOM 1514 N GLY A 103 -4.312 3.527 8.383 1.00 1.36 N ATOM 1515 CA GLY A 103 -2.872 3.350 8.609 1.00 1.44 C ATOM 1516 C GLY A 103 -2.508 2.722 9.961 1.00 1.49 C ATOM 1517 O GLY A 103 -1.546 1.954 10.039 1.00 1.48 O ATOM 0 H GLY A 103 -4.589 4.499 8.246 1.00 1.36 H new ATOM 0 HA2 GLY A 103 -2.467 2.725 7.813 1.00 1.44 H new ATOM 0 HA3 GLY A 103 -2.384 4.321 8.532 1.00 1.44 H new ATOM 1521 N ALA A 104 -3.300 2.963 11.008 1.00 1.62 N ATOM 1522 CA ALA A 104 -3.135 2.344 12.328 1.00 1.70 C ATOM 1523 C ALA A 104 -3.452 0.834 12.362 1.00 1.51 C ATOM 1524 O ALA A 104 -2.930 0.112 13.213 1.00 1.60 O ATOM 1525 CB ALA A 104 -4.043 3.093 13.305 1.00 1.98 C ATOM 0 H ALA A 104 -4.090 3.606 10.963 1.00 1.62 H new ATOM 0 HA ALA A 104 -2.083 2.421 12.604 1.00 1.70 H new ATOM 0 HB1 ALA A 104 -3.945 2.658 14.299 1.00 1.98 H new ATOM 0 HB2 ALA A 104 -3.753 4.143 13.339 1.00 1.98 H new ATOM 0 HB3 ALA A 104 -5.078 3.013 12.974 1.00 1.98 H new ATOM 1531 N ASP A 105 -4.291 0.336 11.451 1.00 1.36 N ATOM 1532 CA ASP A 105 -4.532 -1.105 11.271 1.00 1.26 C ATOM 1533 C ASP A 105 -3.373 -1.827 10.553 1.00 0.96 C ATOM 1534 O ASP A 105 -3.242 -3.052 10.658 1.00 1.12 O ATOM 1535 CB ASP A 105 -5.855 -1.291 10.519 1.00 1.60 C ATOM 1536 CG ASP A 105 -6.283 -2.759 10.427 1.00 2.06 C ATOM 1537 OD1 ASP A 105 -5.850 -3.484 9.499 1.00 3.14 O ATOM 1538 OD2 ASP A 105 -7.053 -3.217 11.306 1.00 2.32 O ATOM 0 H ASP A 105 -4.828 0.922 10.811 1.00 1.36 H new ATOM 0 HA ASP A 105 -4.594 -1.566 12.257 1.00 1.26 H new ATOM 0 HB2 ASP A 105 -6.636 -0.720 11.021 1.00 1.60 H new ATOM 0 HB3 ASP A 105 -5.757 -0.882 9.513 1.00 1.60 H new ATOM 1543 N THR A 106 -2.518 -1.089 9.830 1.00 0.83 N ATOM 1544 CA THR A 106 -1.524 -1.698 8.932 1.00 0.88 C ATOM 1545 C THR A 106 -0.443 -2.443 9.706 1.00 1.11 C ATOM 1546 O THR A 106 -0.004 -2.008 10.775 1.00 1.22 O ATOM 1547 CB THR A 106 -0.889 -0.726 7.920 1.00 0.92 C ATOM 1548 OG1 THR A 106 -0.103 0.272 8.528 1.00 1.71 O ATOM 1549 CG2 THR A 106 -1.917 -0.044 7.021 1.00 1.40 C ATOM 0 H THR A 106 -2.494 -0.069 9.849 1.00 0.83 H new ATOM 0 HA THR A 106 -2.097 -2.412 8.340 1.00 0.88 H new ATOM 0 HB THR A 106 -0.247 -1.364 7.312 1.00 0.92 H new ATOM 0 HG1 THR A 106 -0.674 0.848 9.078 1.00 1.71 H new ATOM 0 HG21 THR A 106 -1.408 0.628 6.330 1.00 1.40 H new ATOM 0 HG22 THR A 106 -2.464 -0.799 6.456 1.00 1.40 H new ATOM 0 HG23 THR A 106 -2.615 0.526 7.634 1.00 1.40 H new ATOM 1557 N THR A 107 -0.006 -3.585 9.170 1.00 1.33 N ATOM 1558 CA THR A 107 0.871 -4.507 9.911 1.00 1.59 C ATOM 1559 C THR A 107 2.292 -3.955 10.115 1.00 1.61 C ATOM 1560 O THR A 107 3.000 -4.363 11.028 1.00 1.67 O ATOM 1561 CB THR A 107 0.835 -5.907 9.269 1.00 1.88 C ATOM 1562 OG1 THR A 107 1.195 -6.890 10.208 1.00 2.47 O ATOM 1563 CG2 THR A 107 1.713 -6.059 8.028 1.00 2.12 C ATOM 0 H THR A 107 -0.242 -3.897 8.228 1.00 1.33 H new ATOM 0 HA THR A 107 0.479 -4.605 10.923 1.00 1.59 H new ATOM 0 HB THR A 107 -0.196 -6.040 8.941 1.00 1.88 H new ATOM 0 HG1 THR A 107 1.166 -7.773 9.785 1.00 2.47 H new ATOM 0 HG21 THR A 107 1.626 -7.075 7.643 1.00 2.12 H new ATOM 0 HG22 THR A 107 1.389 -5.352 7.264 1.00 2.12 H new ATOM 0 HG23 THR A 107 2.752 -5.858 8.290 1.00 2.12 H new ATOM 1571 N LEU A 108 2.707 -2.948 9.337 1.00 1.59 N ATOM 1572 CA LEU A 108 4.063 -2.387 9.364 1.00 1.54 C ATOM 1573 C LEU A 108 4.444 -1.827 10.747 1.00 1.54 C ATOM 1574 O LEU A 108 5.477 -2.195 11.309 1.00 1.50 O ATOM 1575 CB LEU A 108 4.183 -1.283 8.293 1.00 1.56 C ATOM 1576 CG LEU A 108 4.269 -1.759 6.827 1.00 0.67 C ATOM 1577 CD1 LEU A 108 2.988 -2.413 6.311 1.00 1.76 C ATOM 1578 CD2 LEU A 108 4.548 -0.543 5.951 1.00 0.66 C ATOM 0 H LEU A 108 2.098 -2.492 8.658 1.00 1.59 H new ATOM 0 HA LEU A 108 4.759 -3.197 9.148 1.00 1.54 H new ATOM 0 HB2 LEU A 108 3.323 -0.620 8.387 1.00 1.56 H new ATOM 0 HB3 LEU A 108 5.070 -0.688 8.512 1.00 1.56 H new ATOM 0 HG LEU A 108 5.057 -2.511 6.786 1.00 0.67 H new ATOM 0 HD11 LEU A 108 3.128 -2.720 5.275 1.00 1.76 H new ATOM 0 HD12 LEU A 108 2.755 -3.286 6.920 1.00 1.76 H new ATOM 0 HD13 LEU A 108 2.166 -1.700 6.370 1.00 1.76 H new ATOM 0 HD21 LEU A 108 4.614 -0.853 4.908 1.00 0.66 H new ATOM 0 HD22 LEU A 108 3.740 0.180 6.064 1.00 0.66 H new ATOM 0 HD23 LEU A 108 5.490 -0.085 6.253 1.00 0.66 H new ATOM 1590 N SER A 109 3.599 -0.958 11.309 1.00 1.62 N ATOM 1591 CA SER A 109 3.756 -0.424 12.672 1.00 1.66 C ATOM 1592 C SER A 109 3.417 -1.442 13.767 1.00 1.63 C ATOM 1593 O SER A 109 3.844 -1.264 14.911 1.00 1.67 O ATOM 1594 CB SER A 109 2.951 0.867 12.843 1.00 1.88 C ATOM 1595 OG SER A 109 1.576 0.647 12.602 1.00 1.76 O ATOM 0 H SER A 109 2.775 -0.599 10.827 1.00 1.62 H new ATOM 0 HA SER A 109 4.815 -0.196 12.796 1.00 1.66 H new ATOM 0 HB2 SER A 109 3.089 1.254 13.853 1.00 1.88 H new ATOM 0 HB3 SER A 109 3.326 1.626 12.157 1.00 1.88 H new ATOM 0 HG SER A 109 1.085 1.487 12.720 1.00 1.76 H new ATOM 1601 N GLN A 110 2.700 -2.520 13.418 1.00 1.61 N ATOM 1602 CA GLN A 110 2.415 -3.645 14.316 1.00 1.60 C ATOM 1603 C GLN A 110 3.668 -4.503 14.570 1.00 1.62 C ATOM 1604 O GLN A 110 3.935 -4.882 15.712 1.00 1.65 O ATOM 1605 CB GLN A 110 1.246 -4.487 13.768 1.00 1.62 C ATOM 1606 CG GLN A 110 0.665 -5.466 14.792 1.00 1.72 C ATOM 1607 CD GLN A 110 -0.142 -4.713 15.828 1.00 1.86 C ATOM 1608 OE1 GLN A 110 0.328 -4.423 16.925 1.00 2.09 O ATOM 1609 NE2 GLN A 110 -1.336 -4.301 15.478 1.00 1.86 N ATOM 0 H GLN A 110 2.296 -2.635 12.489 1.00 1.61 H new ATOM 0 HA GLN A 110 2.115 -3.239 15.282 1.00 1.60 H new ATOM 0 HB2 GLN A 110 0.455 -3.818 13.428 1.00 1.62 H new ATOM 0 HB3 GLN A 110 1.588 -5.046 12.897 1.00 1.62 H new ATOM 0 HG2 GLN A 110 0.034 -6.199 14.289 1.00 1.72 H new ATOM 0 HG3 GLN A 110 1.470 -6.018 15.277 1.00 1.72 H new ATOM 0 HE21 GLN A 110 -1.714 -4.550 14.564 1.00 1.86 H new ATOM 0 HE22 GLN A 110 -1.888 -3.732 16.120 1.00 1.86 H new ATOM 1618 N ILE A 111 4.447 -4.778 13.516 1.00 1.62 N ATOM 1619 CA ILE A 111 5.660 -5.617 13.540 1.00 1.60 C ATOM 1620 C ILE A 111 6.724 -5.026 14.475 1.00 1.57 C ATOM 1621 O ILE A 111 7.197 -5.708 15.386 1.00 1.63 O ATOM 1622 CB ILE A 111 6.189 -5.809 12.094 1.00 1.56 C ATOM 1623 CG1 ILE A 111 5.229 -6.715 11.286 1.00 1.63 C ATOM 1624 CG2 ILE A 111 7.604 -6.419 12.058 1.00 1.55 C ATOM 1625 CD1 ILE A 111 5.398 -6.592 9.765 1.00 1.63 C ATOM 0 H ILE A 111 4.245 -4.410 12.586 1.00 1.62 H new ATOM 0 HA ILE A 111 5.409 -6.599 13.941 1.00 1.60 H new ATOM 0 HB ILE A 111 6.239 -4.816 11.647 1.00 1.56 H new ATOM 0 HG12 ILE A 111 5.391 -7.753 11.578 1.00 1.63 H new ATOM 0 HG13 ILE A 111 4.201 -6.467 11.550 1.00 1.63 H new ATOM 0 HG21 ILE A 111 7.925 -6.532 11.023 1.00 1.55 H new ATOM 0 HG22 ILE A 111 8.297 -5.762 12.584 1.00 1.55 H new ATOM 0 HG23 ILE A 111 7.592 -7.395 12.542 1.00 1.55 H new ATOM 0 HD11 ILE A 111 4.692 -7.256 9.266 1.00 1.63 H new ATOM 0 HD12 ILE A 111 5.207 -5.563 9.460 1.00 1.63 H new ATOM 0 HD13 ILE A 111 6.415 -6.869 9.488 1.00 1.63 H new ATOM 1637 N VAL A 112 7.081 -3.748 14.302 1.00 1.54 N ATOM 1638 CA VAL A 112 8.197 -3.104 15.031 1.00 1.55 C ATOM 1639 C VAL A 112 8.015 -2.999 16.550 1.00 1.78 C ATOM 1640 O VAL A 112 8.986 -2.792 17.280 1.00 1.90 O ATOM 1641 CB VAL A 112 8.523 -1.718 14.448 1.00 1.48 C ATOM 1642 CG1 VAL A 112 8.972 -1.842 12.992 1.00 1.31 C ATOM 1643 CG2 VAL A 112 7.344 -0.741 14.488 1.00 1.56 C ATOM 0 H VAL A 112 6.606 -3.123 13.651 1.00 1.54 H new ATOM 0 HA VAL A 112 9.036 -3.783 14.880 1.00 1.55 H new ATOM 0 HB VAL A 112 9.317 -1.321 15.080 1.00 1.48 H new ATOM 0 HG11 VAL A 112 9.198 -0.852 12.596 1.00 1.31 H new ATOM 0 HG12 VAL A 112 9.863 -2.467 12.938 1.00 1.31 H new ATOM 0 HG13 VAL A 112 8.175 -2.295 12.403 1.00 1.31 H new ATOM 0 HG21 VAL A 112 7.648 0.214 14.061 1.00 1.56 H new ATOM 0 HG22 VAL A 112 6.514 -1.149 13.911 1.00 1.56 H new ATOM 0 HG23 VAL A 112 7.029 -0.593 15.521 1.00 1.56 H new