USER MOD reduce.3.24.130724 H: found=0, std=0, add=776, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 776 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 106 THR OG1 : rot -49:sc= 1.21 USER MOD Set 1.2: A 109 SER OG : rot -62:sc= 1.23 USER MOD Set 2.1: A 100 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 101 HIS : no HE2:sc= 0.872 K(o=0.87,f=-3!) USER MOD Set 3.1: A 62 SER OG : rot -118:sc= 1.29 USER MOD Set 3.2: A 90 ASN : amide:sc= 0.332 K(o=1.6,f=-2.4!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 60:sc= 0.226 USER MOD Single : A 11 GLN : amide:sc= 0.81 K(o=0.81,f=-0.084) 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 X(o=0,f=0) USER MOD Single : A 38 GLN : amide:sc= -0.243 K(o=-0.24,f=-2) USER MOD Single : A 44 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0369) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot -52:sc= 0.92 USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 179:sc= 1.87 (180deg=1.87) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 140:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot -74:sc= 1.19 USER MOD Single : A 91 GLN : amide:sc= -0.191 X(o=-0.19,f=0) USER MOD Single : A 92 ASN : amide:sc= -0.0356 X(o=-0.036,f=0) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 98 CYS SG : rot -14:sc= 0.29 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= -0.149 X(o=-0.15,f=-0.15) USER MOD ----------------------------------------------------------------- ATOM 27 N ALA A 3 16.568 -2.346 10.433 1.00 1.30 N ATOM 28 CA ALA A 3 15.372 -2.523 9.614 1.00 1.27 C ATOM 29 C ALA A 3 14.039 -2.256 10.353 1.00 1.02 C ATOM 30 O ALA A 3 13.030 -2.006 9.696 1.00 0.93 O ATOM 31 CB ALA A 3 15.426 -3.922 8.994 1.00 1.51 C ATOM 0 HA ALA A 3 15.381 -1.761 8.835 1.00 1.27 H new ATOM 0 HB1 ALA A 3 14.542 -4.080 8.376 1.00 1.51 H new ATOM 0 HB2 ALA A 3 16.321 -4.013 8.378 1.00 1.51 H new ATOM 0 HB3 ALA A 3 15.454 -4.670 9.786 1.00 1.51 H new ATOM 37 N LEU A 4 14.008 -2.247 11.693 1.00 1.02 N ATOM 38 CA LEU A 4 12.753 -2.238 12.464 1.00 0.81 C ATOM 39 C LEU A 4 11.911 -0.973 12.240 1.00 0.94 C ATOM 40 O LEU A 4 10.697 -1.068 12.081 1.00 1.10 O ATOM 41 CB LEU A 4 13.066 -2.452 13.959 1.00 0.96 C ATOM 42 CG LEU A 4 11.830 -2.594 14.866 1.00 1.04 C ATOM 43 CD1 LEU A 4 11.096 -3.896 14.591 1.00 1.21 C ATOM 44 CD2 LEU A 4 12.247 -2.608 16.335 1.00 1.41 C ATOM 0 H LEU A 4 14.847 -2.246 12.273 1.00 1.02 H new ATOM 0 HA LEU A 4 12.138 -3.061 12.100 1.00 0.81 H new ATOM 0 HB2 LEU A 4 13.679 -3.347 14.062 1.00 0.96 H new ATOM 0 HB3 LEU A 4 13.664 -1.613 14.314 1.00 0.96 H new ATOM 0 HG LEU A 4 11.179 -1.745 14.655 1.00 1.04 H new ATOM 0 HD11 LEU A 4 10.228 -3.969 15.246 1.00 1.21 H new ATOM 0 HD12 LEU A 4 10.769 -3.917 13.551 1.00 1.21 H new ATOM 0 HD13 LEU A 4 11.764 -4.737 14.778 1.00 1.21 H new ATOM 0 HD21 LEU A 4 11.362 -2.709 16.963 1.00 1.41 H new ATOM 0 HD22 LEU A 4 12.918 -3.448 16.515 1.00 1.41 H new ATOM 0 HD23 LEU A 4 12.759 -1.677 16.577 1.00 1.41 H new ATOM 56 N ALA A 5 12.510 0.219 12.201 1.00 1.26 N ATOM 57 CA ALA A 5 11.804 1.427 11.776 1.00 1.57 C ATOM 58 C ALA A 5 11.604 1.507 10.250 1.00 1.25 C ATOM 59 O ALA A 5 10.707 2.225 9.808 1.00 1.30 O ATOM 60 CB ALA A 5 12.554 2.653 12.309 1.00 2.19 C ATOM 0 H ALA A 5 13.485 0.373 12.459 1.00 1.26 H new ATOM 0 HA ALA A 5 10.799 1.396 12.196 1.00 1.57 H new ATOM 0 HB1 ALA A 5 12.036 3.560 11.998 1.00 2.19 H new ATOM 0 HB2 ALA A 5 12.591 2.612 13.398 1.00 2.19 H new ATOM 0 HB3 ALA A 5 13.569 2.660 11.911 1.00 2.19 H new ATOM 66 N LYS A 6 12.403 0.796 9.433 1.00 1.04 N ATOM 67 CA LYS A 6 12.432 0.955 7.969 1.00 0.90 C ATOM 68 C LYS A 6 11.127 0.495 7.333 1.00 0.69 C ATOM 69 O LYS A 6 10.602 1.201 6.480 1.00 0.74 O ATOM 70 CB LYS A 6 13.668 0.256 7.385 1.00 1.10 C ATOM 71 CG LYS A 6 13.725 0.393 5.861 1.00 1.15 C ATOM 72 CD LYS A 6 15.122 0.087 5.324 1.00 1.65 C ATOM 73 CE LYS A 6 15.080 0.091 3.796 1.00 1.90 C ATOM 74 NZ LYS A 6 16.431 0.236 3.203 1.00 2.58 N ATOM 0 H LYS A 6 13.053 0.088 9.775 1.00 1.04 H new ATOM 0 HA LYS A 6 12.520 2.015 7.729 1.00 0.90 H new ATOM 0 HB2 LYS A 6 14.570 0.684 7.823 1.00 1.10 H new ATOM 0 HB3 LYS A 6 13.652 -0.800 7.656 1.00 1.10 H new ATOM 0 HG2 LYS A 6 13.003 -0.285 5.406 1.00 1.15 H new ATOM 0 HG3 LYS A 6 13.437 1.405 5.574 1.00 1.15 H new ATOM 0 HD2 LYS A 6 15.834 0.830 5.683 1.00 1.65 H new ATOM 0 HD3 LYS A 6 15.461 -0.882 5.689 1.00 1.65 H new ATOM 0 HE2 LYS A 6 14.627 -0.836 3.443 1.00 1.90 H new ATOM 0 HE3 LYS A 6 14.444 0.907 3.453 1.00 1.90 H new ATOM 0 HZ1 LYS A 6 16.357 0.234 2.166 1.00 2.58 H new ATOM 0 HZ2 LYS A 6 16.854 1.132 3.518 1.00 2.58 H new ATOM 0 HZ3 LYS A 6 17.031 -0.556 3.509 1.00 2.58 H new ATOM 88 N LEU A 7 10.540 -0.602 7.821 1.00 0.71 N ATOM 89 CA LEU A 7 9.194 -1.041 7.426 1.00 0.94 C ATOM 90 C LEU A 7 8.183 0.124 7.516 1.00 1.09 C ATOM 91 O LEU A 7 7.459 0.380 6.560 1.00 1.29 O ATOM 92 CB LEU A 7 8.764 -2.235 8.313 1.00 1.09 C ATOM 93 CG LEU A 7 9.260 -3.644 7.917 1.00 1.16 C ATOM 94 CD1 LEU A 7 8.600 -4.139 6.629 1.00 1.43 C ATOM 95 CD2 LEU A 7 10.774 -3.747 7.747 1.00 1.07 C ATOM 0 H LEU A 7 10.985 -1.215 8.504 1.00 0.71 H new ATOM 0 HA LEU A 7 9.213 -1.366 6.386 1.00 0.94 H new ATOM 0 HB2 LEU A 7 9.102 -2.035 9.330 1.00 1.09 H new ATOM 0 HB3 LEU A 7 7.675 -2.258 8.338 1.00 1.09 H new ATOM 0 HG LEU A 7 8.971 -4.273 8.759 1.00 1.16 H new ATOM 0 HD11 LEU A 7 8.976 -5.133 6.386 1.00 1.43 H new ATOM 0 HD12 LEU A 7 7.520 -4.184 6.768 1.00 1.43 H new ATOM 0 HD13 LEU A 7 8.833 -3.454 5.814 1.00 1.43 H new ATOM 0 HD21 LEU A 7 11.040 -4.767 7.469 1.00 1.07 H new ATOM 0 HD22 LEU A 7 11.100 -3.061 6.965 1.00 1.07 H new ATOM 0 HD23 LEU A 7 11.264 -3.487 8.685 1.00 1.07 H new ATOM 107 N ILE A 8 8.199 0.888 8.614 1.00 1.16 N ATOM 108 CA ILE A 8 7.365 2.087 8.813 1.00 1.37 C ATOM 109 C ILE A 8 7.803 3.287 7.944 1.00 1.14 C ATOM 110 O ILE A 8 6.955 4.100 7.560 1.00 1.15 O ATOM 111 CB ILE A 8 7.303 2.420 10.326 1.00 1.76 C ATOM 112 CG1 ILE A 8 6.622 1.288 11.135 1.00 2.11 C ATOM 113 CG2 ILE A 8 6.634 3.771 10.640 1.00 1.93 C ATOM 114 CD1 ILE A 8 5.165 0.974 10.759 1.00 2.36 C ATOM 0 H ILE A 8 8.805 0.688 9.410 1.00 1.16 H new ATOM 0 HA ILE A 8 6.356 1.865 8.466 1.00 1.37 H new ATOM 0 HB ILE A 8 8.344 2.505 10.638 1.00 1.76 H new ATOM 0 HG12 ILE A 8 7.211 0.379 11.016 1.00 2.11 H new ATOM 0 HG13 ILE A 8 6.655 1.553 12.192 1.00 2.11 H new ATOM 0 HG21 ILE A 8 6.629 3.932 11.718 1.00 1.93 H new ATOM 0 HG22 ILE A 8 7.190 4.574 10.156 1.00 1.93 H new ATOM 0 HG23 ILE A 8 5.609 3.764 10.269 1.00 1.93 H new ATOM 0 HD11 ILE A 8 4.792 0.167 11.389 1.00 2.36 H new ATOM 0 HD12 ILE A 8 4.551 1.863 10.907 1.00 2.36 H new ATOM 0 HD13 ILE A 8 5.117 0.670 9.713 1.00 2.36 H new ATOM 126 N SER A 9 9.084 3.392 7.576 1.00 1.02 N ATOM 127 CA SER A 9 9.619 4.474 6.737 1.00 1.01 C ATOM 128 C SER A 9 9.160 4.378 5.280 1.00 0.95 C ATOM 129 O SER A 9 8.850 5.401 4.668 1.00 1.22 O ATOM 130 CB SER A 9 11.151 4.474 6.740 1.00 1.07 C ATOM 131 OG SER A 9 11.689 4.603 8.040 1.00 1.24 O ATOM 0 H SER A 9 9.793 2.715 7.857 1.00 1.02 H new ATOM 0 HA SER A 9 9.232 5.394 7.174 1.00 1.01 H new ATOM 0 HB2 SER A 9 11.512 3.549 6.291 1.00 1.07 H new ATOM 0 HB3 SER A 9 11.512 5.293 6.118 1.00 1.07 H new ATOM 0 HG SER A 9 11.380 3.858 8.597 1.00 1.24 H new ATOM 137 N LEU A 10 9.050 3.156 4.735 1.00 0.88 N ATOM 138 CA LEU A 10 8.694 2.897 3.328 1.00 1.15 C ATOM 139 C LEU A 10 7.302 3.428 2.922 1.00 1.28 C ATOM 140 O LEU A 10 7.008 3.524 1.729 1.00 1.49 O ATOM 141 CB LEU A 10 8.763 1.376 3.061 1.00 1.38 C ATOM 142 CG LEU A 10 10.098 0.867 2.489 1.00 1.56 C ATOM 143 CD1 LEU A 10 11.226 0.865 3.506 1.00 2.39 C ATOM 144 CD2 LEU A 10 9.923 -0.581 2.038 1.00 1.26 C ATOM 0 H LEU A 10 9.209 2.302 5.270 1.00 0.88 H new ATOM 0 HA LEU A 10 9.416 3.442 2.720 1.00 1.15 H new ATOM 0 HB2 LEU A 10 8.563 0.851 3.995 1.00 1.38 H new ATOM 0 HB3 LEU A 10 7.965 1.109 2.368 1.00 1.38 H new ATOM 0 HG LEU A 10 10.359 1.543 1.675 1.00 1.56 H new ATOM 0 HD11 LEU A 10 12.138 0.495 3.037 1.00 2.39 H new ATOM 0 HD12 LEU A 10 11.390 1.880 3.869 1.00 2.39 H new ATOM 0 HD13 LEU A 10 10.960 0.219 4.343 1.00 2.39 H new ATOM 0 HD21 LEU A 10 10.864 -0.951 1.631 1.00 1.26 H new ATOM 0 HD22 LEU A 10 9.630 -1.194 2.890 1.00 1.26 H new ATOM 0 HD23 LEU A 10 9.150 -0.632 1.271 1.00 1.26 H new ATOM 156 N GLN A 11 6.438 3.726 3.896 1.00 1.25 N ATOM 157 CA GLN A 11 5.049 4.149 3.706 1.00 1.40 C ATOM 158 C GLN A 11 4.922 5.512 3.012 1.00 1.41 C ATOM 159 O GLN A 11 5.577 6.487 3.395 1.00 1.40 O ATOM 160 CB GLN A 11 4.337 4.188 5.053 1.00 1.48 C ATOM 161 CG GLN A 11 4.211 2.794 5.673 1.00 1.39 C ATOM 162 CD GLN A 11 3.499 2.909 7.003 1.00 1.52 C ATOM 163 OE1 GLN A 11 2.316 2.627 7.153 1.00 2.19 O ATOM 164 NE2 GLN A 11 4.171 3.419 7.998 1.00 2.06 N ATOM 0 H GLN A 11 6.699 3.677 4.881 1.00 1.25 H new ATOM 0 HA GLN A 11 4.582 3.416 3.048 1.00 1.40 H new ATOM 0 HB2 GLN A 11 4.884 4.840 5.734 1.00 1.48 H new ATOM 0 HB3 GLN A 11 3.344 4.620 4.926 1.00 1.48 H new ATOM 0 HG2 GLN A 11 3.657 2.134 5.005 1.00 1.39 H new ATOM 0 HG3 GLN A 11 5.198 2.353 5.811 1.00 1.39 H new ATOM 0 HE21 GLN A 11 5.156 3.656 7.880 1.00 2.06 H new ATOM 0 HE22 GLN A 11 3.711 3.581 8.894 1.00 2.06 H new ATOM 173 N ALA A 12 4.009 5.601 2.043 1.00 1.55 N ATOM 174 CA ALA A 12 3.698 6.846 1.342 1.00 1.48 C ATOM 175 C ALA A 12 3.071 7.901 2.281 1.00 1.41 C ATOM 176 O ALA A 12 2.402 7.557 3.261 1.00 1.97 O ATOM 177 CB ALA A 12 2.798 6.507 0.151 1.00 1.58 C ATOM 0 H ALA A 12 3.461 4.804 1.721 1.00 1.55 H new ATOM 0 HA ALA A 12 4.617 7.305 0.978 1.00 1.48 H new ATOM 0 HB1 ALA A 12 2.551 7.420 -0.390 1.00 1.58 H new ATOM 0 HB2 ALA A 12 3.320 5.820 -0.516 1.00 1.58 H new ATOM 0 HB3 ALA A 12 1.881 6.038 0.509 1.00 1.58 H new ATOM 183 N THR A 13 3.298 9.181 1.981 1.00 1.46 N ATOM 184 CA THR A 13 2.904 10.328 2.827 1.00 1.36 C ATOM 185 C THR A 13 1.622 11.005 2.325 1.00 1.18 C ATOM 186 O THR A 13 0.843 11.542 3.113 1.00 1.11 O ATOM 187 CB THR A 13 4.043 11.367 2.896 1.00 1.50 C ATOM 188 OG1 THR A 13 5.320 10.748 2.942 1.00 1.87 O ATOM 189 CG2 THR A 13 3.928 12.239 4.144 1.00 1.80 C ATOM 0 H THR A 13 3.772 9.464 1.124 1.00 1.46 H new ATOM 0 HA THR A 13 2.707 9.933 3.824 1.00 1.36 H new ATOM 0 HB THR A 13 3.947 11.970 1.993 1.00 1.50 H new ATOM 0 HG1 THR A 13 6.016 11.437 2.983 1.00 1.87 H new ATOM 0 HG21 THR A 13 4.746 12.960 4.161 1.00 1.80 H new ATOM 0 HG22 THR A 13 2.976 12.770 4.130 1.00 1.80 H new ATOM 0 HG23 THR A 13 3.980 11.610 5.033 1.00 1.80 H new ATOM 197 N GLU A 14 1.362 10.938 1.018 1.00 1.21 N ATOM 198 CA GLU A 14 0.144 11.443 0.374 1.00 1.07 C ATOM 199 C GLU A 14 -0.355 10.502 -0.743 1.00 1.23 C ATOM 200 O GLU A 14 0.424 9.720 -1.293 1.00 1.50 O ATOM 201 CB GLU A 14 0.327 12.905 -0.079 1.00 1.16 C ATOM 202 CG GLU A 14 1.518 13.192 -1.000 1.00 1.56 C ATOM 203 CD GLU A 14 2.858 13.311 -0.259 1.00 1.95 C ATOM 204 OE1 GLU A 14 2.966 14.083 0.727 1.00 3.30 O ATOM 205 OE2 GLU A 14 3.836 12.665 -0.714 1.00 2.40 O ATOM 0 H GLU A 14 2.014 10.517 0.355 1.00 1.21 H new ATOM 0 HA GLU A 14 -0.656 11.450 1.114 1.00 1.07 H new ATOM 0 HB2 GLU A 14 -0.583 13.220 -0.590 1.00 1.16 H new ATOM 0 HB3 GLU A 14 0.426 13.528 0.810 1.00 1.16 H new ATOM 0 HG2 GLU A 14 1.592 12.396 -1.741 1.00 1.56 H new ATOM 0 HG3 GLU A 14 1.330 14.118 -1.544 1.00 1.56 H new ATOM 212 N ALA A 15 -1.663 10.513 -1.019 1.00 1.08 N ATOM 213 CA ALA A 15 -2.362 9.557 -1.885 1.00 1.10 C ATOM 214 C ALA A 15 -3.486 10.204 -2.727 1.00 0.97 C ATOM 215 O ALA A 15 -4.037 11.233 -2.333 1.00 0.97 O ATOM 216 CB ALA A 15 -2.923 8.453 -0.982 1.00 1.20 C ATOM 0 H ALA A 15 -2.290 11.217 -0.629 1.00 1.08 H new ATOM 0 HA ALA A 15 -1.656 9.156 -2.612 1.00 1.10 H new ATOM 0 HB1 ALA A 15 -3.452 7.719 -1.590 1.00 1.20 H new ATOM 0 HB2 ALA A 15 -2.104 7.964 -0.454 1.00 1.20 H new ATOM 0 HB3 ALA A 15 -3.612 8.889 -0.259 1.00 1.20 H new ATOM 222 N THR A 16 -3.878 9.576 -3.845 1.00 1.02 N ATOM 223 CA THR A 16 -4.973 10.056 -4.718 1.00 0.93 C ATOM 224 C THR A 16 -6.327 9.408 -4.388 1.00 0.65 C ATOM 225 O THR A 16 -6.533 8.237 -4.713 1.00 0.60 O ATOM 226 CB THR A 16 -4.659 9.869 -6.215 1.00 1.14 C ATOM 227 OG1 THR A 16 -3.431 10.475 -6.553 1.00 1.48 O ATOM 228 CG2 THR A 16 -5.708 10.538 -7.101 1.00 1.16 C ATOM 0 H THR A 16 -3.445 8.714 -4.176 1.00 1.02 H new ATOM 0 HA THR A 16 -5.050 11.124 -4.512 1.00 0.93 H new ATOM 0 HB THR A 16 -4.637 8.792 -6.380 1.00 1.14 H new ATOM 0 HG1 THR A 16 -3.252 10.342 -7.507 1.00 1.48 H new ATOM 0 HG21 THR A 16 -5.451 10.384 -8.149 1.00 1.16 H new ATOM 0 HG22 THR A 16 -6.686 10.102 -6.899 1.00 1.16 H new ATOM 0 HG23 THR A 16 -5.736 11.607 -6.888 1.00 1.16 H new ATOM 236 N ILE A 17 -7.281 10.160 -3.821 1.00 0.61 N ATOM 237 CA ILE A 17 -8.687 9.727 -3.651 1.00 0.59 C ATOM 238 C ILE A 17 -9.471 10.011 -4.939 1.00 0.63 C ATOM 239 O ILE A 17 -9.546 11.160 -5.384 1.00 0.67 O ATOM 240 CB ILE A 17 -9.384 10.394 -2.433 1.00 0.64 C ATOM 241 CG1 ILE A 17 -8.633 10.089 -1.116 1.00 0.61 C ATOM 242 CG2 ILE A 17 -10.850 9.911 -2.340 1.00 0.81 C ATOM 243 CD1 ILE A 17 -9.286 10.634 0.163 1.00 0.65 C ATOM 0 H ILE A 17 -7.102 11.098 -3.461 1.00 0.61 H new ATOM 0 HA ILE A 17 -8.675 8.656 -3.450 1.00 0.59 H new ATOM 0 HB ILE A 17 -9.368 11.474 -2.580 1.00 0.64 H new ATOM 0 HG12 ILE A 17 -8.532 9.008 -1.018 1.00 0.61 H new ATOM 0 HG13 ILE A 17 -7.625 10.498 -1.190 1.00 0.61 H new ATOM 0 HG21 ILE A 17 -11.334 10.381 -1.484 1.00 0.81 H new ATOM 0 HG22 ILE A 17 -11.381 10.182 -3.252 1.00 0.81 H new ATOM 0 HG23 ILE A 17 -10.869 8.828 -2.218 1.00 0.81 H new ATOM 0 HD11 ILE A 17 -8.678 10.363 1.026 1.00 0.65 H new ATOM 0 HD12 ILE A 17 -9.362 11.719 0.099 1.00 0.65 H new ATOM 0 HD13 ILE A 17 -10.283 10.206 0.273 1.00 0.65 H new ATOM 255 N VAL A 18 -10.118 8.989 -5.505 1.00 0.70 N ATOM 256 CA VAL A 18 -10.883 9.092 -6.762 1.00 0.86 C ATOM 257 C VAL A 18 -12.384 8.950 -6.495 1.00 1.03 C ATOM 258 O VAL A 18 -12.817 8.000 -5.833 1.00 1.10 O ATOM 259 CB VAL A 18 -10.386 8.056 -7.789 1.00 0.97 C ATOM 260 CG1 VAL A 18 -11.139 8.155 -9.122 1.00 1.70 C ATOM 261 CG2 VAL A 18 -8.876 8.176 -8.037 1.00 1.83 C ATOM 0 H VAL A 18 -10.129 8.052 -5.102 1.00 0.70 H new ATOM 0 HA VAL A 18 -10.718 10.081 -7.189 1.00 0.86 H new ATOM 0 HB VAL A 18 -10.590 7.078 -7.352 1.00 0.97 H new ATOM 0 HG11 VAL A 18 -10.754 7.406 -9.814 1.00 1.70 H new ATOM 0 HG12 VAL A 18 -12.202 7.981 -8.953 1.00 1.70 H new ATOM 0 HG13 VAL A 18 -10.997 9.148 -9.547 1.00 1.70 H new ATOM 0 HG21 VAL A 18 -8.567 7.428 -8.767 1.00 1.83 H new ATOM 0 HG22 VAL A 18 -8.648 9.171 -8.418 1.00 1.83 H new ATOM 0 HG23 VAL A 18 -8.340 8.014 -7.102 1.00 1.83 H new ATOM 271 N THR A 19 -13.184 9.878 -7.026 1.00 1.21 N ATOM 272 CA THR A 19 -14.645 9.931 -6.837 1.00 1.49 C ATOM 273 C THR A 19 -15.354 10.327 -8.134 1.00 1.57 C ATOM 274 O THR A 19 -14.950 11.270 -8.816 1.00 1.36 O ATOM 275 CB THR A 19 -15.037 10.929 -5.726 1.00 1.56 C ATOM 276 OG1 THR A 19 -14.216 10.786 -4.585 1.00 1.62 O ATOM 277 CG2 THR A 19 -16.474 10.740 -5.242 1.00 1.98 C ATOM 0 H THR A 19 -12.831 10.633 -7.614 1.00 1.21 H new ATOM 0 HA THR A 19 -14.960 8.930 -6.542 1.00 1.49 H new ATOM 0 HB THR A 19 -14.918 11.912 -6.182 1.00 1.56 H new ATOM 0 HG1 THR A 19 -14.490 11.433 -3.902 1.00 1.62 H new ATOM 0 HG21 THR A 19 -16.694 11.468 -4.462 1.00 1.98 H new ATOM 0 HG22 THR A 19 -17.161 10.884 -6.076 1.00 1.98 H new ATOM 0 HG23 THR A 19 -16.594 9.733 -4.843 1.00 1.98 H new ATOM 391 N LEU A 27 -15.451 12.373 -13.797 1.00 2.14 N ATOM 392 CA LEU A 27 -14.276 11.821 -13.116 1.00 2.01 C ATOM 393 C LEU A 27 -13.579 12.940 -12.330 1.00 1.70 C ATOM 394 O LEU A 27 -13.266 13.988 -12.899 1.00 1.85 O ATOM 395 CB LEU A 27 -13.330 11.144 -14.129 1.00 2.34 C ATOM 396 CG LEU A 27 -13.712 9.699 -14.511 1.00 2.87 C ATOM 397 CD1 LEU A 27 -15.095 9.569 -15.147 1.00 3.37 C ATOM 398 CD2 LEU A 27 -12.689 9.144 -15.502 1.00 3.50 C ATOM 0 HA LEU A 27 -14.584 11.049 -12.411 1.00 2.01 H new ATOM 0 HB2 LEU A 27 -13.300 11.748 -15.036 1.00 2.34 H new ATOM 0 HB3 LEU A 27 -12.321 11.140 -13.715 1.00 2.34 H new ATOM 0 HG LEU A 27 -13.725 9.140 -13.576 1.00 2.87 H new ATOM 0 HD11 LEU A 27 -15.289 8.523 -15.386 1.00 3.37 H new ATOM 0 HD12 LEU A 27 -15.852 9.927 -14.449 1.00 3.37 H new ATOM 0 HD13 LEU A 27 -15.133 10.163 -16.060 1.00 3.37 H new ATOM 0 HD21 LEU A 27 -12.960 8.123 -15.771 1.00 3.50 H new ATOM 0 HD22 LEU A 27 -12.677 9.764 -16.398 1.00 3.50 H new ATOM 0 HD23 LEU A 27 -11.700 9.148 -15.044 1.00 3.50 H new ATOM 410 N SER A 28 -13.322 12.729 -11.034 1.00 1.56 N ATOM 411 CA SER A 28 -12.659 13.707 -10.163 1.00 1.41 C ATOM 412 C SER A 28 -11.678 13.030 -9.199 1.00 1.36 C ATOM 413 O SER A 28 -11.960 11.959 -8.655 1.00 1.65 O ATOM 414 CB SER A 28 -13.713 14.512 -9.399 1.00 1.47 C ATOM 415 OG SER A 28 -13.149 15.726 -8.939 1.00 1.61 O ATOM 0 H SER A 28 -13.572 11.864 -10.555 1.00 1.56 H new ATOM 0 HA SER A 28 -12.076 14.385 -10.786 1.00 1.41 H new ATOM 0 HB2 SER A 28 -14.565 14.719 -10.046 1.00 1.47 H new ATOM 0 HB3 SER A 28 -14.086 13.931 -8.556 1.00 1.47 H new ATOM 0 HG SER A 28 -13.828 16.238 -8.452 1.00 1.61 H new ATOM 421 N GLU A 29 -10.504 13.631 -8.998 1.00 1.12 N ATOM 422 CA GLU A 29 -9.402 13.051 -8.217 1.00 1.08 C ATOM 423 C GLU A 29 -8.754 14.113 -7.307 1.00 1.19 C ATOM 424 O GLU A 29 -8.431 15.211 -7.768 1.00 1.48 O ATOM 425 CB GLU A 29 -8.358 12.409 -9.157 1.00 1.21 C ATOM 426 CG GLU A 29 -8.954 11.457 -10.207 1.00 1.21 C ATOM 427 CD GLU A 29 -7.888 10.868 -11.138 1.00 1.86 C ATOM 428 OE1 GLU A 29 -7.084 10.013 -10.702 1.00 3.03 O ATOM 429 OE2 GLU A 29 -7.901 11.187 -12.352 1.00 2.44 O ATOM 0 H GLU A 29 -10.285 14.551 -9.379 1.00 1.12 H new ATOM 0 HA GLU A 29 -9.807 12.270 -7.574 1.00 1.08 H new ATOM 0 HB2 GLU A 29 -7.812 13.201 -9.670 1.00 1.21 H new ATOM 0 HB3 GLU A 29 -7.633 11.860 -8.556 1.00 1.21 H new ATOM 0 HG2 GLU A 29 -9.478 10.646 -9.701 1.00 1.21 H new ATOM 0 HG3 GLU A 29 -9.694 11.994 -10.801 1.00 1.21 H new ATOM 436 N GLU A 30 -8.542 13.807 -6.024 1.00 1.03 N ATOM 437 CA GLU A 30 -7.888 14.687 -5.035 1.00 1.18 C ATOM 438 C GLU A 30 -6.560 14.071 -4.586 1.00 1.16 C ATOM 439 O GLU A 30 -6.527 12.870 -4.318 1.00 1.05 O ATOM 440 CB GLU A 30 -8.728 14.846 -3.749 1.00 1.21 C ATOM 441 CG GLU A 30 -10.219 15.144 -3.891 1.00 1.22 C ATOM 442 CD GLU A 30 -10.546 16.598 -4.221 1.00 2.22 C ATOM 443 OE1 GLU A 30 -10.663 16.971 -5.412 1.00 3.46 O ATOM 444 OE2 GLU A 30 -10.802 17.382 -3.274 1.00 2.61 O ATOM 0 H GLU A 30 -8.828 12.912 -5.626 1.00 1.03 H new ATOM 0 HA GLU A 30 -7.759 15.651 -5.526 1.00 1.18 H new ATOM 0 HB2 GLU A 30 -8.626 13.928 -3.170 1.00 1.21 H new ATOM 0 HB3 GLU A 30 -8.284 15.647 -3.158 1.00 1.21 H new ATOM 0 HG2 GLU A 30 -10.631 14.506 -4.673 1.00 1.22 H new ATOM 0 HG3 GLU A 30 -10.721 14.874 -2.962 1.00 1.22 H new ATOM 451 N GLN A 31 -5.501 14.864 -4.400 1.00 1.27 N ATOM 452 CA GLN A 31 -4.269 14.396 -3.747 1.00 1.23 C ATOM 453 C GLN A 31 -4.259 14.871 -2.287 1.00 1.22 C ATOM 454 O GLN A 31 -4.283 16.076 -2.025 1.00 1.43 O ATOM 455 CB GLN A 31 -3.027 14.833 -4.538 1.00 1.42 C ATOM 456 CG GLN A 31 -2.996 14.166 -5.919 1.00 1.58 C ATOM 457 CD GLN A 31 -1.635 14.311 -6.526 1.00 1.80 C ATOM 458 OE1 GLN A 31 -1.275 15.300 -7.161 1.00 2.05 O ATOM 459 NE2 GLN A 31 -0.795 13.365 -6.209 1.00 1.93 N ATOM 0 H GLN A 31 -5.470 15.840 -4.694 1.00 1.27 H new ATOM 0 HA GLN A 31 -4.242 13.306 -3.737 1.00 1.23 H new ATOM 0 HB2 GLN A 31 -3.027 15.917 -4.653 1.00 1.42 H new ATOM 0 HB3 GLN A 31 -2.126 14.571 -3.983 1.00 1.42 H new ATOM 0 HG2 GLN A 31 -3.252 13.110 -5.828 1.00 1.58 H new ATOM 0 HG3 GLN A 31 -3.744 14.621 -6.569 1.00 1.58 H new ATOM 0 HE21 GLN A 31 -1.116 12.553 -5.681 1.00 1.93 H new ATOM 0 HE22 GLN A 31 0.183 13.437 -6.489 1.00 1.93 H new ATOM 468 N VAL A 32 -4.255 13.934 -1.335 1.00 1.06 N ATOM 469 CA VAL A 32 -4.478 14.190 0.102 1.00 1.09 C ATOM 470 C VAL A 32 -3.384 13.567 0.970 1.00 1.02 C ATOM 471 O VAL A 32 -2.760 12.587 0.570 1.00 0.96 O ATOM 472 CB VAL A 32 -5.875 13.700 0.554 1.00 1.19 C ATOM 473 CG1 VAL A 32 -6.985 14.094 -0.432 1.00 1.43 C ATOM 474 CG2 VAL A 32 -5.967 12.183 0.766 1.00 0.95 C ATOM 0 H VAL A 32 -4.093 12.948 -1.542 1.00 1.06 H new ATOM 0 HA VAL A 32 -4.435 15.271 0.239 1.00 1.09 H new ATOM 0 HB VAL A 32 -6.019 14.200 1.512 1.00 1.19 H new ATOM 0 HG11 VAL A 32 -7.944 13.726 -0.067 1.00 1.43 H new ATOM 0 HG12 VAL A 32 -7.024 15.180 -0.522 1.00 1.43 H new ATOM 0 HG13 VAL A 32 -6.776 13.657 -1.408 1.00 1.43 H new ATOM 0 HG21 VAL A 32 -6.977 11.920 1.082 1.00 0.95 H new ATOM 0 HG22 VAL A 32 -5.733 11.670 -0.167 1.00 0.95 H new ATOM 0 HG23 VAL A 32 -5.256 11.879 1.535 1.00 0.95 H new ATOM 484 N ASP A 33 -3.175 14.077 2.184 1.00 1.12 N ATOM 485 CA ASP A 33 -2.201 13.487 3.114 1.00 1.15 C ATOM 486 C ASP A 33 -2.755 12.207 3.765 1.00 1.05 C ATOM 487 O ASP A 33 -3.963 12.064 3.961 1.00 1.03 O ATOM 488 CB ASP A 33 -1.787 14.483 4.206 1.00 1.29 C ATOM 489 CG ASP A 33 -1.250 15.811 3.680 1.00 2.71 C ATOM 490 OD1 ASP A 33 -0.491 15.847 2.682 1.00 3.78 O ATOM 491 OD2 ASP A 33 -1.583 16.851 4.299 1.00 3.63 O ATOM 0 H ASP A 33 -3.663 14.895 2.549 1.00 1.12 H new ATOM 0 HA ASP A 33 -1.319 13.231 2.526 1.00 1.15 H new ATOM 0 HB2 ASP A 33 -2.648 14.681 4.845 1.00 1.29 H new ATOM 0 HB3 ASP A 33 -1.025 14.020 4.833 1.00 1.29 H new ATOM 496 N VAL A 34 -1.867 11.282 4.138 1.00 1.01 N ATOM 497 CA VAL A 34 -2.221 9.932 4.625 1.00 0.95 C ATOM 498 C VAL A 34 -3.115 9.905 5.882 1.00 1.04 C ATOM 499 O VAL A 34 -3.818 8.924 6.115 1.00 1.04 O ATOM 500 CB VAL A 34 -0.941 9.087 4.786 1.00 0.95 C ATOM 501 CG1 VAL A 34 -0.030 9.608 5.903 1.00 1.15 C ATOM 502 CG2 VAL A 34 -1.229 7.597 5.010 1.00 0.93 C ATOM 0 H VAL A 34 -0.861 11.446 4.112 1.00 1.01 H new ATOM 0 HA VAL A 34 -2.855 9.482 3.862 1.00 0.95 H new ATOM 0 HB VAL A 34 -0.418 9.190 3.835 1.00 0.95 H new ATOM 0 HG11 VAL A 34 0.856 8.977 5.974 1.00 1.15 H new ATOM 0 HG12 VAL A 34 0.270 10.632 5.680 1.00 1.15 H new ATOM 0 HG13 VAL A 34 -0.568 9.586 6.851 1.00 1.15 H new ATOM 0 HG21 VAL A 34 -0.288 7.057 5.116 1.00 0.93 H new ATOM 0 HG22 VAL A 34 -1.822 7.473 5.916 1.00 0.93 H new ATOM 0 HG23 VAL A 34 -1.781 7.201 4.158 1.00 0.93 H new ATOM 512 N GLU A 35 -3.180 10.984 6.668 1.00 1.16 N ATOM 513 CA GLU A 35 -4.113 11.108 7.806 1.00 1.28 C ATOM 514 C GLU A 35 -5.561 11.470 7.387 1.00 1.30 C ATOM 515 O GLU A 35 -6.509 11.240 8.145 1.00 1.42 O ATOM 516 CB GLU A 35 -3.538 12.130 8.806 1.00 1.40 C ATOM 517 CG GLU A 35 -4.025 11.937 10.250 1.00 1.69 C ATOM 518 CD GLU A 35 -3.426 10.682 10.898 1.00 2.44 C ATOM 519 OE1 GLU A 35 -3.983 9.577 10.719 1.00 3.97 O ATOM 520 OE2 GLU A 35 -2.370 10.771 11.573 1.00 2.81 O ATOM 0 H GLU A 35 -2.586 11.803 6.537 1.00 1.16 H new ATOM 0 HA GLU A 35 -4.198 10.129 8.278 1.00 1.28 H new ATOM 0 HB2 GLU A 35 -2.450 12.066 8.789 1.00 1.40 H new ATOM 0 HB3 GLU A 35 -3.803 13.134 8.476 1.00 1.40 H new ATOM 0 HG2 GLU A 35 -3.759 12.813 10.842 1.00 1.69 H new ATOM 0 HG3 GLU A 35 -5.113 11.865 10.259 1.00 1.69 H new ATOM 527 N LEU A 36 -5.757 12.009 6.176 1.00 1.24 N ATOM 528 CA LEU A 36 -7.036 12.524 5.650 1.00 1.29 C ATOM 529 C LEU A 36 -7.855 11.464 4.880 1.00 1.12 C ATOM 530 O LEU A 36 -8.999 11.714 4.490 1.00 1.21 O ATOM 531 CB LEU A 36 -6.754 13.756 4.760 1.00 1.37 C ATOM 532 CG LEU A 36 -5.830 14.838 5.360 1.00 1.55 C ATOM 533 CD1 LEU A 36 -5.641 15.981 4.360 1.00 1.68 C ATOM 534 CD2 LEU A 36 -6.373 15.431 6.659 1.00 1.72 C ATOM 0 H LEU A 36 -4.996 12.104 5.503 1.00 1.24 H new ATOM 0 HA LEU A 36 -7.653 12.807 6.503 1.00 1.29 H new ATOM 0 HB2 LEU A 36 -6.312 13.409 3.826 1.00 1.37 H new ATOM 0 HB3 LEU A 36 -7.707 14.221 4.509 1.00 1.37 H new ATOM 0 HG LEU A 36 -4.884 14.343 5.578 1.00 1.55 H new ATOM 0 HD11 LEU A 36 -4.988 16.739 4.793 1.00 1.68 H new ATOM 0 HD12 LEU A 36 -5.192 15.594 3.446 1.00 1.68 H new ATOM 0 HD13 LEU A 36 -6.609 16.426 4.128 1.00 1.68 H new ATOM 0 HD21 LEU A 36 -5.680 16.185 7.032 1.00 1.72 H new ATOM 0 HD22 LEU A 36 -7.343 15.891 6.471 1.00 1.72 H new ATOM 0 HD23 LEU A 36 -6.483 14.641 7.402 1.00 1.72 H new ATOM 546 N VAL A 37 -7.275 10.281 4.656 1.00 0.94 N ATOM 547 CA VAL A 37 -7.937 9.071 4.136 1.00 0.78 C ATOM 548 C VAL A 37 -8.394 8.175 5.296 1.00 0.88 C ATOM 549 O VAL A 37 -7.706 8.077 6.320 1.00 1.49 O ATOM 550 CB VAL A 37 -7.033 8.343 3.116 1.00 0.72 C ATOM 551 CG1 VAL A 37 -5.622 8.043 3.634 1.00 0.85 C ATOM 552 CG2 VAL A 37 -7.639 7.030 2.615 1.00 0.80 C ATOM 0 H VAL A 37 -6.283 10.129 4.840 1.00 0.94 H new ATOM 0 HA VAL A 37 -8.836 9.356 3.589 1.00 0.78 H new ATOM 0 HB VAL A 37 -6.959 9.056 2.295 1.00 0.72 H new ATOM 0 HG11 VAL A 37 -5.051 7.531 2.859 1.00 0.85 H new ATOM 0 HG12 VAL A 37 -5.124 8.977 3.895 1.00 0.85 H new ATOM 0 HG13 VAL A 37 -5.686 7.407 4.517 1.00 0.85 H new ATOM 0 HG21 VAL A 37 -6.959 6.564 1.902 1.00 0.80 H new ATOM 0 HG22 VAL A 37 -7.797 6.357 3.458 1.00 0.80 H new ATOM 0 HG23 VAL A 37 -8.593 7.232 2.128 1.00 0.80 H new ATOM 562 N GLN A 38 -9.555 7.528 5.155 1.00 0.76 N ATOM 563 CA GLN A 38 -10.108 6.598 6.150 1.00 0.75 C ATOM 564 C GLN A 38 -10.497 5.243 5.531 1.00 0.71 C ATOM 565 O GLN A 38 -10.434 5.069 4.315 1.00 0.68 O ATOM 566 CB GLN A 38 -11.225 7.299 6.951 1.00 0.95 C ATOM 567 CG GLN A 38 -12.506 7.706 6.204 1.00 1.92 C ATOM 568 CD GLN A 38 -13.435 6.564 5.858 1.00 2.84 C ATOM 569 OE1 GLN A 38 -13.728 6.290 4.706 1.00 4.39 O ATOM 570 NE2 GLN A 38 -13.962 5.853 6.817 1.00 3.03 N ATOM 0 H GLN A 38 -10.149 7.636 4.333 1.00 0.76 H new ATOM 0 HA GLN A 38 -9.335 6.332 6.871 1.00 0.75 H new ATOM 0 HB2 GLN A 38 -11.512 6.640 7.770 1.00 0.95 H new ATOM 0 HB3 GLN A 38 -10.800 8.197 7.399 1.00 0.95 H new ATOM 0 HG2 GLN A 38 -13.051 8.426 6.814 1.00 1.92 H new ATOM 0 HG3 GLN A 38 -12.225 8.217 5.283 1.00 1.92 H new ATOM 0 HE21 GLN A 38 -13.735 6.060 7.790 1.00 3.03 H new ATOM 0 HE22 GLN A 38 -14.601 5.090 6.594 1.00 3.03 H new ATOM 579 N ARG A 39 -10.873 4.263 6.366 1.00 0.77 N ATOM 580 CA ARG A 39 -11.125 2.848 5.994 1.00 0.83 C ATOM 581 C ARG A 39 -12.322 2.558 5.054 1.00 0.82 C ATOM 582 O ARG A 39 -12.834 1.438 5.022 1.00 1.58 O ATOM 583 CB ARG A 39 -11.191 2.021 7.288 1.00 1.13 C ATOM 584 CG ARG A 39 -12.484 2.286 8.068 1.00 1.30 C ATOM 585 CD ARG A 39 -12.442 1.639 9.452 1.00 1.67 C ATOM 586 NE ARG A 39 -13.668 1.952 10.213 1.00 1.96 N ATOM 587 CZ ARG A 39 -14.868 1.425 10.044 1.00 2.76 C ATOM 588 NH1 ARG A 39 -15.110 0.475 9.191 1.00 3.74 N ATOM 589 NH2 ARG A 39 -15.888 1.853 10.724 1.00 3.07 N ATOM 0 H ARG A 39 -11.018 4.433 7.361 1.00 0.77 H new ATOM 0 HA ARG A 39 -10.287 2.552 5.363 1.00 0.83 H new ATOM 0 HB2 ARG A 39 -11.124 0.960 7.045 1.00 1.13 H new ATOM 0 HB3 ARG A 39 -10.332 2.259 7.916 1.00 1.13 H new ATOM 0 HG2 ARG A 39 -12.635 3.361 8.171 1.00 1.30 H new ATOM 0 HG3 ARG A 39 -13.335 1.897 7.508 1.00 1.30 H new ATOM 0 HD2 ARG A 39 -12.337 0.559 9.351 1.00 1.67 H new ATOM 0 HD3 ARG A 39 -11.568 1.994 9.998 1.00 1.67 H new ATOM 0 HE ARG A 39 -13.579 2.652 10.950 1.00 1.96 H new ATOM 0 HH11 ARG A 39 -14.355 0.103 8.614 1.00 3.74 H new ATOM 0 HH12 ARG A 39 -16.055 0.101 9.098 1.00 3.74 H new ATOM 0 HH21 ARG A 39 -15.770 2.607 11.401 1.00 3.07 H new ATOM 0 HH22 ARG A 39 -16.808 1.435 10.581 1.00 3.07 H new ATOM 603 N GLY A 40 -12.789 3.541 4.298 1.00 0.99 N ATOM 604 CA GLY A 40 -13.905 3.452 3.357 1.00 0.91 C ATOM 605 C GLY A 40 -13.720 4.398 2.168 1.00 0.95 C ATOM 606 O GLY A 40 -14.668 5.065 1.758 1.00 1.40 O ATOM 0 H GLY A 40 -12.379 4.475 4.323 1.00 0.99 H new ATOM 0 HA2 GLY A 40 -13.996 2.427 2.996 1.00 0.91 H new ATOM 0 HA3 GLY A 40 -14.835 3.692 3.872 1.00 0.91 H new ATOM 610 N ASP A 41 -12.503 4.460 1.625 1.00 0.72 N ATOM 611 CA ASP A 41 -12.126 5.247 0.440 1.00 0.74 C ATOM 612 C ASP A 41 -11.523 4.332 -0.651 1.00 0.55 C ATOM 613 O ASP A 41 -11.062 3.224 -0.350 1.00 0.53 O ATOM 614 CB ASP A 41 -11.145 6.366 0.855 1.00 0.91 C ATOM 615 CG ASP A 41 -11.804 7.527 1.619 1.00 1.27 C ATOM 616 OD1 ASP A 41 -12.923 7.938 1.216 1.00 1.86 O ATOM 617 OD2 ASP A 41 -11.190 8.098 2.555 1.00 2.19 O ATOM 0 H ASP A 41 -11.715 3.941 2.013 1.00 0.72 H new ATOM 0 HA ASP A 41 -13.015 5.712 0.014 1.00 0.74 H new ATOM 0 HB2 ASP A 41 -10.361 5.935 1.477 1.00 0.91 H new ATOM 0 HB3 ASP A 41 -10.662 6.761 -0.039 1.00 0.91 H new ATOM 622 N ILE A 42 -11.517 4.777 -1.916 1.00 0.50 N ATOM 623 CA ILE A 42 -10.847 4.085 -3.036 1.00 0.46 C ATOM 624 C ILE A 42 -9.720 4.963 -3.590 1.00 0.39 C ATOM 625 O ILE A 42 -9.934 6.124 -3.956 1.00 0.43 O ATOM 626 CB ILE A 42 -11.847 3.617 -4.122 1.00 0.62 C ATOM 627 CG1 ILE A 42 -12.815 2.574 -3.512 1.00 0.85 C ATOM 628 CG2 ILE A 42 -11.096 3.017 -5.329 1.00 0.69 C ATOM 629 CD1 ILE A 42 -13.830 1.975 -4.493 1.00 1.20 C ATOM 0 H ILE A 42 -11.983 5.640 -2.198 1.00 0.50 H new ATOM 0 HA ILE A 42 -10.396 3.168 -2.658 1.00 0.46 H new ATOM 0 HB ILE A 42 -12.419 4.475 -4.475 1.00 0.62 H new ATOM 0 HG12 ILE A 42 -12.227 1.763 -3.082 1.00 0.85 H new ATOM 0 HG13 ILE A 42 -13.359 3.042 -2.692 1.00 0.85 H new ATOM 0 HG21 ILE A 42 -11.816 2.694 -6.081 1.00 0.69 H new ATOM 0 HG22 ILE A 42 -10.436 3.771 -5.758 1.00 0.69 H new ATOM 0 HG23 ILE A 42 -10.505 2.162 -5.001 1.00 0.69 H new ATOM 0 HD11 ILE A 42 -14.461 1.257 -3.970 1.00 1.20 H new ATOM 0 HD12 ILE A 42 -14.451 2.771 -4.905 1.00 1.20 H new ATOM 0 HD13 ILE A 42 -13.301 1.471 -5.302 1.00 1.20 H new ATOM 641 N ILE A 43 -8.511 4.395 -3.650 1.00 0.39 N ATOM 642 CA ILE A 43 -7.258 5.112 -3.910 1.00 0.40 C ATOM 643 C ILE A 43 -6.589 4.655 -5.209 1.00 0.48 C ATOM 644 O ILE A 43 -6.301 3.468 -5.374 1.00 0.70 O ATOM 645 CB ILE A 43 -6.296 4.888 -2.713 1.00 0.46 C ATOM 646 CG1 ILE A 43 -6.927 5.190 -1.333 1.00 0.52 C ATOM 647 CG2 ILE A 43 -4.987 5.681 -2.878 1.00 0.53 C ATOM 648 CD1 ILE A 43 -7.464 6.615 -1.173 1.00 0.58 C ATOM 0 H ILE A 43 -8.373 3.393 -3.515 1.00 0.39 H new ATOM 0 HA ILE A 43 -7.488 6.171 -4.024 1.00 0.40 H new ATOM 0 HB ILE A 43 -6.075 3.821 -2.730 1.00 0.46 H new ATOM 0 HG12 ILE A 43 -7.742 4.488 -1.160 1.00 0.52 H new ATOM 0 HG13 ILE A 43 -6.180 5.009 -0.560 1.00 0.52 H new ATOM 0 HG21 ILE A 43 -4.340 5.498 -2.020 1.00 0.53 H new ATOM 0 HG22 ILE A 43 -4.481 5.362 -3.789 1.00 0.53 H new ATOM 0 HG23 ILE A 43 -5.212 6.746 -2.942 1.00 0.53 H new ATOM 0 HD11 ILE A 43 -7.887 6.735 -0.176 1.00 0.58 H new ATOM 0 HD12 ILE A 43 -6.651 7.328 -1.310 1.00 0.58 H new ATOM 0 HD13 ILE A 43 -8.237 6.799 -1.919 1.00 0.58 H new ATOM 660 N LYS A 44 -6.261 5.593 -6.103 1.00 0.49 N ATOM 661 CA LYS A 44 -5.406 5.341 -7.275 1.00 0.59 C ATOM 662 C LYS A 44 -3.938 5.329 -6.835 1.00 0.71 C ATOM 663 O LYS A 44 -3.430 6.321 -6.312 1.00 0.79 O ATOM 664 CB LYS A 44 -5.704 6.383 -8.375 1.00 0.76 C ATOM 665 CG LYS A 44 -4.627 6.561 -9.463 1.00 2.06 C ATOM 666 CD LYS A 44 -4.275 5.310 -10.291 1.00 3.20 C ATOM 667 CE LYS A 44 -5.379 4.831 -11.239 1.00 2.77 C ATOM 668 NZ LYS A 44 -5.680 5.820 -12.301 1.00 2.88 N ATOM 0 H LYS A 44 -6.583 6.559 -6.036 1.00 0.49 H new ATOM 0 HA LYS A 44 -5.621 4.364 -7.707 1.00 0.59 H new ATOM 0 HB2 LYS A 44 -6.639 6.107 -8.862 1.00 0.76 H new ATOM 0 HB3 LYS A 44 -5.867 7.348 -7.896 1.00 0.76 H new ATOM 0 HG2 LYS A 44 -4.959 7.341 -10.148 1.00 2.06 H new ATOM 0 HG3 LYS A 44 -3.716 6.922 -8.986 1.00 2.06 H new ATOM 0 HD2 LYS A 44 -3.380 5.520 -10.876 1.00 3.20 H new ATOM 0 HD3 LYS A 44 -4.026 4.498 -9.608 1.00 3.20 H new ATOM 0 HE2 LYS A 44 -5.077 3.890 -11.698 1.00 2.77 H new ATOM 0 HE3 LYS A 44 -6.284 4.630 -10.666 1.00 2.77 H new ATOM 0 HZ1 LYS A 44 -6.371 5.417 -12.965 1.00 2.88 H new ATOM 0 HZ2 LYS A 44 -6.074 6.681 -11.872 1.00 2.88 H new ATOM 0 HZ3 LYS A 44 -4.806 6.057 -12.812 1.00 2.88 H new ATOM 682 N VAL A 45 -3.244 4.218 -7.079 1.00 0.92 N ATOM 683 CA VAL A 45 -1.784 4.101 -6.921 1.00 1.02 C ATOM 684 C VAL A 45 -1.112 4.260 -8.290 1.00 1.06 C ATOM 685 O VAL A 45 -1.467 3.584 -9.256 1.00 1.14 O ATOM 686 CB VAL A 45 -1.423 2.806 -6.166 1.00 1.02 C ATOM 687 CG1 VAL A 45 -1.865 1.537 -6.885 1.00 1.12 C ATOM 688 CG2 VAL A 45 0.076 2.690 -5.877 1.00 0.98 C ATOM 0 H VAL A 45 -3.683 3.355 -7.398 1.00 0.92 H new ATOM 0 HA VAL A 45 -1.394 4.905 -6.296 1.00 1.02 H new ATOM 0 HB VAL A 45 -1.974 2.889 -5.229 1.00 1.02 H new ATOM 0 HG11 VAL A 45 -1.578 0.666 -6.296 1.00 1.12 H new ATOM 0 HG12 VAL A 45 -2.948 1.549 -7.011 1.00 1.12 H new ATOM 0 HG13 VAL A 45 -1.386 1.487 -7.863 1.00 1.12 H new ATOM 0 HG21 VAL A 45 0.273 1.760 -5.344 1.00 0.98 H new ATOM 0 HG22 VAL A 45 0.629 2.694 -6.816 1.00 0.98 H new ATOM 0 HG23 VAL A 45 0.395 3.533 -5.265 1.00 0.98 H new ATOM 698 N VAL A 46 -0.182 5.210 -8.400 1.00 1.03 N ATOM 699 CA VAL A 46 0.398 5.632 -9.691 1.00 1.04 C ATOM 700 C VAL A 46 1.589 4.757 -10.120 1.00 0.92 C ATOM 701 O VAL A 46 2.227 4.141 -9.259 1.00 0.89 O ATOM 702 CB VAL A 46 0.768 7.131 -9.688 1.00 1.18 C ATOM 703 CG1 VAL A 46 -0.469 8.001 -9.424 1.00 1.30 C ATOM 704 CG2 VAL A 46 1.853 7.491 -8.663 1.00 1.24 C ATOM 0 H VAL A 46 0.196 5.714 -7.598 1.00 1.03 H new ATOM 0 HA VAL A 46 -0.380 5.486 -10.440 1.00 1.04 H new ATOM 0 HB VAL A 46 1.170 7.332 -10.681 1.00 1.18 H new ATOM 0 HG11 VAL A 46 -0.182 9.052 -9.427 1.00 1.30 H new ATOM 0 HG12 VAL A 46 -1.210 7.825 -10.203 1.00 1.30 H new ATOM 0 HG13 VAL A 46 -0.894 7.744 -8.454 1.00 1.30 H new ATOM 0 HG21 VAL A 46 2.063 8.559 -8.716 1.00 1.24 H new ATOM 0 HG22 VAL A 46 1.505 7.239 -7.661 1.00 1.24 H new ATOM 0 HG23 VAL A 46 2.762 6.931 -8.883 1.00 1.24 H new ATOM 714 N PRO A 47 1.934 4.674 -11.419 1.00 0.94 N ATOM 715 CA PRO A 47 3.161 4.012 -11.873 1.00 0.89 C ATOM 716 C PRO A 47 4.420 4.670 -11.280 1.00 0.82 C ATOM 717 O PRO A 47 4.556 5.895 -11.283 1.00 0.90 O ATOM 718 CB PRO A 47 3.123 4.082 -13.406 1.00 1.02 C ATOM 719 CG PRO A 47 1.634 4.215 -13.720 1.00 1.35 C ATOM 720 CD PRO A 47 1.140 5.087 -12.569 1.00 1.08 C ATOM 0 HA PRO A 47 3.210 2.978 -11.533 1.00 0.89 H new ATOM 0 HB2 PRO A 47 3.690 4.933 -13.783 1.00 1.02 H new ATOM 0 HB3 PRO A 47 3.551 3.188 -13.859 1.00 1.02 H new ATOM 0 HG2 PRO A 47 1.462 4.684 -14.689 1.00 1.35 H new ATOM 0 HG3 PRO A 47 1.134 3.247 -13.741 1.00 1.35 H new ATOM 0 HD2 PRO A 47 1.281 6.146 -12.787 1.00 1.08 H new ATOM 0 HD3 PRO A 47 0.075 4.937 -12.389 1.00 1.08 H new ATOM 728 N GLY A 48 5.325 3.864 -10.717 1.00 0.77 N ATOM 729 CA GLY A 48 6.492 4.321 -9.942 1.00 0.80 C ATOM 730 C GLY A 48 6.178 4.805 -8.513 1.00 0.85 C ATOM 731 O GLY A 48 7.104 5.078 -7.740 1.00 1.03 O ATOM 0 H GLY A 48 5.268 2.848 -10.787 1.00 0.77 H new ATOM 0 HA2 GLY A 48 7.212 3.505 -9.883 1.00 0.80 H new ATOM 0 HA3 GLY A 48 6.975 5.133 -10.486 1.00 0.80 H new ATOM 735 N GLY A 49 4.896 4.918 -8.148 1.00 0.81 N ATOM 736 CA GLY A 49 4.426 5.334 -6.827 1.00 0.86 C ATOM 737 C GLY A 49 4.467 4.228 -5.768 1.00 0.83 C ATOM 738 O GLY A 49 4.892 3.099 -6.026 1.00 1.09 O ATOM 0 H GLY A 49 4.131 4.714 -8.791 1.00 0.81 H new ATOM 0 HA2 GLY A 49 5.034 6.172 -6.485 1.00 0.86 H new ATOM 0 HA3 GLY A 49 3.403 5.698 -6.916 1.00 0.86 H new ATOM 742 N LYS A 50 4.001 4.565 -4.561 1.00 0.77 N ATOM 743 CA LYS A 50 4.028 3.700 -3.367 1.00 0.79 C ATOM 744 C LYS A 50 2.642 3.535 -2.738 1.00 0.83 C ATOM 745 O LYS A 50 1.757 4.377 -2.909 1.00 1.04 O ATOM 746 CB LYS A 50 5.023 4.277 -2.347 1.00 0.88 C ATOM 747 CG LYS A 50 6.488 4.201 -2.792 1.00 0.88 C ATOM 748 CD LYS A 50 7.366 5.035 -1.852 1.00 1.18 C ATOM 749 CE LYS A 50 8.829 4.893 -2.262 1.00 1.20 C ATOM 750 NZ LYS A 50 9.726 5.732 -1.437 1.00 1.81 N ATOM 0 H LYS A 50 3.580 5.476 -4.378 1.00 0.77 H new ATOM 0 HA LYS A 50 4.350 2.705 -3.675 1.00 0.79 H new ATOM 0 HB2 LYS A 50 4.766 5.319 -2.154 1.00 0.88 H new ATOM 0 HB3 LYS A 50 4.912 3.741 -1.404 1.00 0.88 H new ATOM 0 HG2 LYS A 50 6.823 3.164 -2.791 1.00 0.88 H new ATOM 0 HG3 LYS A 50 6.586 4.567 -3.814 1.00 0.88 H new ATOM 0 HD2 LYS A 50 7.066 6.082 -1.891 1.00 1.18 H new ATOM 0 HD3 LYS A 50 7.232 4.703 -0.822 1.00 1.18 H new ATOM 0 HE2 LYS A 50 9.129 3.849 -2.174 1.00 1.20 H new ATOM 0 HE3 LYS A 50 8.939 5.169 -3.311 1.00 1.20 H new ATOM 0 HZ1 LYS A 50 10.709 5.603 -1.752 1.00 1.81 H new ATOM 0 HZ2 LYS A 50 9.458 6.732 -1.540 1.00 1.81 H new ATOM 0 HZ3 LYS A 50 9.642 5.452 -0.439 1.00 1.81 H new ATOM 764 N PHE A 51 2.465 2.461 -1.966 1.00 0.86 N ATOM 765 CA PHE A 51 1.216 2.163 -1.249 1.00 0.86 C ATOM 766 C PHE A 51 1.190 2.812 0.161 1.00 0.88 C ATOM 767 O PHE A 51 2.137 2.613 0.928 1.00 0.97 O ATOM 768 CB PHE A 51 1.008 0.641 -1.192 1.00 0.90 C ATOM 769 CG PHE A 51 0.732 -0.003 -2.543 1.00 0.86 C ATOM 770 CD1 PHE A 51 1.792 -0.299 -3.420 1.00 2.20 C ATOM 771 CD2 PHE A 51 -0.582 -0.318 -2.933 1.00 2.03 C ATOM 772 CE1 PHE A 51 1.559 -0.893 -4.670 1.00 2.22 C ATOM 773 CE2 PHE A 51 -0.817 -0.919 -4.183 1.00 2.02 C ATOM 774 CZ PHE A 51 0.248 -1.205 -5.053 1.00 0.88 C ATOM 0 H PHE A 51 3.193 1.762 -1.817 1.00 0.86 H new ATOM 0 HA PHE A 51 0.383 2.604 -1.796 1.00 0.86 H new ATOM 0 HB2 PHE A 51 1.895 0.181 -0.757 1.00 0.90 H new ATOM 0 HB3 PHE A 51 0.176 0.424 -0.522 1.00 0.90 H new ATOM 0 HD1 PHE A 51 2.804 -0.065 -3.125 1.00 2.20 H new ATOM 0 HD2 PHE A 51 -1.409 -0.099 -2.274 1.00 2.03 H new ATOM 0 HE1 PHE A 51 2.385 -1.108 -5.332 1.00 2.22 H new ATOM 0 HE2 PHE A 51 -1.827 -1.163 -4.477 1.00 2.02 H new ATOM 0 HZ PHE A 51 0.057 -1.663 -6.012 1.00 0.88 H new ATOM 784 N PRO A 52 0.131 3.558 0.548 1.00 0.83 N ATOM 785 CA PRO A 52 0.060 4.274 1.835 1.00 0.84 C ATOM 786 C PRO A 52 -0.456 3.439 3.023 1.00 0.80 C ATOM 787 O PRO A 52 -0.127 3.744 4.170 1.00 0.81 O ATOM 788 CB PRO A 52 -0.876 5.461 1.567 1.00 0.88 C ATOM 789 CG PRO A 52 -1.828 4.936 0.492 1.00 0.83 C ATOM 790 CD PRO A 52 -0.954 3.990 -0.327 1.00 0.79 C ATOM 0 HA PRO A 52 1.065 4.559 2.145 1.00 0.84 H new ATOM 0 HB2 PRO A 52 -1.414 5.758 2.467 1.00 0.88 H new ATOM 0 HB3 PRO A 52 -0.325 6.336 1.221 1.00 0.88 H new ATOM 0 HG2 PRO A 52 -2.681 4.417 0.930 1.00 0.83 H new ATOM 0 HG3 PRO A 52 -2.227 5.745 -0.120 1.00 0.83 H new ATOM 0 HD2 PRO A 52 -1.532 3.135 -0.678 1.00 0.79 H new ATOM 0 HD3 PRO A 52 -0.561 4.493 -1.211 1.00 0.79 H new ATOM 798 N VAL A 53 -1.255 2.400 2.756 1.00 0.79 N ATOM 799 CA VAL A 53 -1.891 1.474 3.718 1.00 0.81 C ATOM 800 C VAL A 53 -2.006 0.084 3.065 1.00 0.82 C ATOM 801 O VAL A 53 -1.768 -0.038 1.862 1.00 0.83 O ATOM 802 CB VAL A 53 -3.266 1.970 4.221 1.00 0.91 C ATOM 803 CG1 VAL A 53 -3.125 3.197 5.128 1.00 0.91 C ATOM 804 CG2 VAL A 53 -4.237 2.303 3.086 1.00 0.99 C ATOM 0 H VAL A 53 -1.496 2.161 1.794 1.00 0.79 H new ATOM 0 HA VAL A 53 -1.259 1.421 4.604 1.00 0.81 H new ATOM 0 HB VAL A 53 -3.680 1.137 4.789 1.00 0.91 H new ATOM 0 HG11 VAL A 53 -4.112 3.518 5.462 1.00 0.91 H new ATOM 0 HG12 VAL A 53 -2.514 2.941 5.994 1.00 0.91 H new ATOM 0 HG13 VAL A 53 -2.649 4.006 4.574 1.00 0.91 H new ATOM 0 HG21 VAL A 53 -5.183 2.645 3.505 1.00 0.99 H new ATOM 0 HG22 VAL A 53 -3.811 3.089 2.462 1.00 0.99 H new ATOM 0 HG23 VAL A 53 -4.409 1.413 2.481 1.00 0.99 H new ATOM 814 N ASP A 54 -2.313 -0.970 3.831 1.00 0.90 N ATOM 815 CA ASP A 54 -2.552 -2.313 3.269 1.00 0.93 C ATOM 816 C ASP A 54 -4.023 -2.495 2.853 1.00 0.93 C ATOM 817 O ASP A 54 -4.919 -1.883 3.444 1.00 0.97 O ATOM 818 CB ASP A 54 -2.006 -3.425 4.191 1.00 0.97 C ATOM 819 CG ASP A 54 -2.942 -3.896 5.308 1.00 0.93 C ATOM 820 OD1 ASP A 54 -3.918 -4.621 5.027 1.00 1.38 O ATOM 821 OD2 ASP A 54 -2.662 -3.661 6.505 1.00 1.95 O ATOM 0 H ASP A 54 -2.403 -0.922 4.846 1.00 0.90 H new ATOM 0 HA ASP A 54 -1.979 -2.407 2.347 1.00 0.93 H new ATOM 0 HB2 ASP A 54 -1.748 -4.286 3.574 1.00 0.97 H new ATOM 0 HB3 ASP A 54 -1.081 -3.070 4.646 1.00 0.97 H new ATOM 826 N GLY A 55 -4.280 -3.304 1.824 1.00 0.92 N ATOM 827 CA GLY A 55 -5.636 -3.513 1.310 1.00 0.96 C ATOM 828 C GLY A 55 -5.714 -4.395 0.063 1.00 0.94 C ATOM 829 O GLY A 55 -4.760 -5.085 -0.301 1.00 0.96 O ATOM 0 H GLY A 55 -3.561 -3.829 1.326 1.00 0.92 H new ATOM 0 HA2 GLY A 55 -6.243 -3.962 2.096 1.00 0.96 H new ATOM 0 HA3 GLY A 55 -6.078 -2.543 1.081 1.00 0.96 H new ATOM 833 N ARG A 56 -6.872 -4.353 -0.601 1.00 0.95 N ATOM 834 CA ARG A 56 -7.193 -5.131 -1.806 1.00 0.95 C ATOM 835 C ARG A 56 -7.325 -4.244 -3.056 1.00 0.92 C ATOM 836 O ARG A 56 -7.785 -3.106 -3.000 1.00 0.98 O ATOM 837 CB ARG A 56 -8.432 -5.989 -1.491 1.00 1.06 C ATOM 838 CG ARG A 56 -8.690 -7.141 -2.474 1.00 1.05 C ATOM 839 CD ARG A 56 -9.801 -8.066 -1.957 1.00 1.23 C ATOM 840 NE ARG A 56 -11.105 -7.374 -1.881 1.00 1.62 N ATOM 841 CZ ARG A 56 -12.097 -7.417 -2.752 1.00 2.44 C ATOM 842 NH1 ARG A 56 -12.114 -8.231 -3.767 1.00 3.13 N ATOM 843 NH2 ARG A 56 -13.102 -6.609 -2.592 1.00 3.56 N ATOM 0 H ARG A 56 -7.643 -3.754 -0.305 1.00 0.95 H new ATOM 0 HA ARG A 56 -6.373 -5.801 -2.065 1.00 0.95 H new ATOM 0 HB2 ARG A 56 -8.323 -6.404 -0.489 1.00 1.06 H new ATOM 0 HB3 ARG A 56 -9.309 -5.342 -1.475 1.00 1.06 H new ATOM 0 HG2 ARG A 56 -8.971 -6.738 -3.447 1.00 1.05 H new ATOM 0 HG3 ARG A 56 -7.773 -7.713 -2.618 1.00 1.05 H new ATOM 0 HD2 ARG A 56 -9.887 -8.932 -2.614 1.00 1.23 H new ATOM 0 HD3 ARG A 56 -9.531 -8.441 -0.970 1.00 1.23 H new ATOM 0 HE ARG A 56 -11.257 -6.793 -1.056 1.00 1.62 H new ATOM 0 HH11 ARG A 56 -11.337 -8.875 -3.918 1.00 3.13 H new ATOM 0 HH12 ARG A 56 -12.904 -8.226 -4.412 1.00 3.13 H new ATOM 0 HH21 ARG A 56 -13.114 -5.959 -1.806 1.00 3.56 H new ATOM 0 HH22 ARG A 56 -13.879 -6.625 -3.252 1.00 3.56 H new ATOM 857 N VAL A 57 -6.893 -4.777 -4.192 1.00 0.86 N ATOM 858 CA VAL A 57 -6.976 -4.208 -5.544 1.00 0.81 C ATOM 859 C VAL A 57 -8.310 -4.623 -6.155 1.00 0.92 C ATOM 860 O VAL A 57 -8.643 -5.809 -6.112 1.00 1.04 O ATOM 861 CB VAL A 57 -5.843 -4.775 -6.431 1.00 0.73 C ATOM 862 CG1 VAL A 57 -5.858 -4.172 -7.839 1.00 0.76 C ATOM 863 CG2 VAL A 57 -4.435 -4.569 -5.857 1.00 0.79 C ATOM 0 H VAL A 57 -6.439 -5.690 -4.199 1.00 0.86 H new ATOM 0 HA VAL A 57 -6.885 -3.123 -5.487 1.00 0.81 H new ATOM 0 HB VAL A 57 -6.052 -5.844 -6.465 1.00 0.73 H new ATOM 0 HG11 VAL A 57 -5.045 -4.599 -8.426 1.00 0.76 H new ATOM 0 HG12 VAL A 57 -6.810 -4.395 -8.320 1.00 0.76 H new ATOM 0 HG13 VAL A 57 -5.729 -3.092 -7.773 1.00 0.76 H new ATOM 0 HG21 VAL A 57 -3.698 -4.995 -6.538 1.00 0.79 H new ATOM 0 HG22 VAL A 57 -4.244 -3.503 -5.736 1.00 0.79 H new ATOM 0 HG23 VAL A 57 -4.361 -5.063 -4.888 1.00 0.79 H new ATOM 873 N ILE A 58 -9.045 -3.701 -6.779 1.00 0.91 N ATOM 874 CA ILE A 58 -10.292 -4.016 -7.514 1.00 0.97 C ATOM 875 C ILE A 58 -10.399 -3.248 -8.847 1.00 0.95 C ATOM 876 O ILE A 58 -11.484 -3.020 -9.391 1.00 0.95 O ATOM 877 CB ILE A 58 -11.526 -3.794 -6.597 1.00 1.01 C ATOM 878 CG1 ILE A 58 -11.366 -2.503 -5.765 1.00 1.02 C ATOM 879 CG2 ILE A 58 -11.751 -5.008 -5.678 1.00 1.05 C ATOM 880 CD1 ILE A 58 -12.666 -2.020 -5.113 1.00 1.14 C ATOM 0 H ILE A 58 -8.800 -2.711 -6.795 1.00 0.91 H new ATOM 0 HA ILE A 58 -10.265 -5.071 -7.788 1.00 0.97 H new ATOM 0 HB ILE A 58 -12.404 -3.682 -7.234 1.00 1.01 H new ATOM 0 HG12 ILE A 58 -10.622 -2.674 -4.987 1.00 1.02 H new ATOM 0 HG13 ILE A 58 -10.978 -1.713 -6.409 1.00 1.02 H new ATOM 0 HG21 ILE A 58 -12.620 -4.829 -5.045 1.00 1.05 H new ATOM 0 HG22 ILE A 58 -11.921 -5.897 -6.285 1.00 1.05 H new ATOM 0 HG23 ILE A 58 -10.871 -5.158 -5.052 1.00 1.05 H new ATOM 0 HD11 ILE A 58 -12.472 -1.109 -4.546 1.00 1.14 H new ATOM 0 HD12 ILE A 58 -13.407 -1.816 -5.886 1.00 1.14 H new ATOM 0 HD13 ILE A 58 -13.045 -2.791 -4.442 1.00 1.14 H new ATOM 892 N GLU A 59 -9.243 -2.961 -9.448 1.00 0.97 N ATOM 893 CA GLU A 59 -9.069 -2.484 -10.816 1.00 1.01 C ATOM 894 C GLU A 59 -7.579 -2.552 -11.200 1.00 1.07 C ATOM 895 O GLU A 59 -6.741 -2.253 -10.347 1.00 1.15 O ATOM 896 CB GLU A 59 -9.541 -1.024 -10.946 1.00 0.98 C ATOM 897 CG GLU A 59 -10.016 -0.700 -12.366 1.00 1.15 C ATOM 898 CD GLU A 59 -11.450 -1.186 -12.597 1.00 2.02 C ATOM 899 OE1 GLU A 59 -11.656 -2.359 -12.995 1.00 3.38 O ATOM 900 OE2 GLU A 59 -12.403 -0.400 -12.362 1.00 2.82 O ATOM 0 H GLU A 59 -8.352 -3.062 -8.962 1.00 0.97 H new ATOM 0 HA GLU A 59 -9.662 -3.116 -11.477 1.00 1.01 H new ATOM 0 HB2 GLU A 59 -10.352 -0.841 -10.241 1.00 0.98 H new ATOM 0 HB3 GLU A 59 -8.726 -0.354 -10.674 1.00 0.98 H new ATOM 0 HG2 GLU A 59 -9.963 0.376 -12.533 1.00 1.15 H new ATOM 0 HG3 GLU A 59 -9.350 -1.168 -13.090 1.00 1.15 H new ATOM 907 N GLY A 60 -7.256 -2.869 -12.456 1.00 1.05 N ATOM 908 CA GLY A 60 -5.915 -2.723 -13.042 1.00 1.06 C ATOM 909 C GLY A 60 -4.995 -3.955 -13.012 1.00 0.92 C ATOM 910 O GLY A 60 -5.332 -5.008 -12.473 1.00 0.98 O ATOM 0 H GLY A 60 -7.937 -3.245 -13.115 1.00 1.05 H new ATOM 0 HA2 GLY A 60 -6.032 -2.415 -14.081 1.00 1.06 H new ATOM 0 HA3 GLY A 60 -5.407 -1.910 -12.524 1.00 1.06 H new ATOM 914 N HIS A 61 -3.808 -3.786 -13.611 1.00 0.80 N ATOM 915 CA HIS A 61 -2.846 -4.854 -13.936 1.00 0.66 C ATOM 916 C HIS A 61 -1.349 -4.476 -13.788 1.00 0.75 C ATOM 917 O HIS A 61 -0.510 -4.903 -14.591 1.00 1.84 O ATOM 918 CB HIS A 61 -3.180 -5.403 -15.338 1.00 0.73 C ATOM 919 CG HIS A 61 -3.206 -4.352 -16.423 1.00 1.09 C ATOM 920 ND1 HIS A 61 -4.334 -3.719 -16.883 1.00 1.97 N ATOM 921 CD2 HIS A 61 -2.149 -3.856 -17.142 1.00 1.78 C ATOM 922 CE1 HIS A 61 -3.977 -2.869 -17.854 1.00 2.21 C ATOM 923 NE2 HIS A 61 -2.647 -2.913 -18.057 1.00 2.07 N ATOM 0 H HIS A 61 -3.476 -2.864 -13.895 1.00 0.80 H new ATOM 0 HA HIS A 61 -2.968 -5.632 -13.182 1.00 0.66 H new ATOM 0 HB2 HIS A 61 -2.446 -6.164 -15.602 1.00 0.73 H new ATOM 0 HB3 HIS A 61 -4.152 -5.896 -15.301 1.00 0.73 H new ATOM 0 HD2 HIS A 61 -1.114 -4.141 -17.025 1.00 1.78 H new ATOM 0 HE1 HIS A 61 -4.661 -2.236 -18.399 1.00 2.21 H new ATOM 0 HE2 HIS A 61 -2.111 -2.373 -18.736 1.00 2.07 H new ATOM 931 N SER A 62 -0.983 -3.681 -12.774 1.00 0.93 N ATOM 932 CA SER A 62 0.422 -3.288 -12.558 1.00 0.91 C ATOM 933 C SER A 62 1.242 -4.404 -11.923 1.00 0.90 C ATOM 934 O SER A 62 0.711 -5.282 -11.236 1.00 1.07 O ATOM 935 CB SER A 62 0.588 -2.047 -11.667 1.00 0.93 C ATOM 936 OG SER A 62 0.233 -0.822 -12.258 1.00 1.72 O ATOM 0 H SER A 62 -1.635 -3.297 -12.091 1.00 0.93 H new ATOM 0 HA SER A 62 0.784 -3.062 -13.561 1.00 0.91 H new ATOM 0 HB2 SER A 62 -0.014 -2.184 -10.768 1.00 0.93 H new ATOM 0 HB3 SER A 62 1.629 -1.988 -11.348 1.00 0.93 H new ATOM 0 HG SER A 62 1.020 -0.239 -12.300 1.00 1.72 H new ATOM 942 N MET A 63 2.561 -4.335 -12.110 1.00 0.78 N ATOM 943 CA MET A 63 3.503 -5.175 -11.364 1.00 0.80 C ATOM 944 C MET A 63 3.991 -4.433 -10.105 1.00 0.81 C ATOM 945 O MET A 63 4.213 -3.224 -10.151 1.00 0.98 O ATOM 946 CB MET A 63 4.619 -5.640 -12.305 1.00 0.88 C ATOM 947 CG MET A 63 5.653 -6.503 -11.581 1.00 1.01 C ATOM 948 SD MET A 63 6.656 -7.545 -12.670 1.00 1.16 S ATOM 949 CE MET A 63 5.548 -8.967 -12.853 1.00 1.07 C ATOM 0 H MET A 63 3.004 -3.702 -12.776 1.00 0.78 H new ATOM 0 HA MET A 63 3.018 -6.079 -10.996 1.00 0.80 H new ATOM 0 HB2 MET A 63 4.186 -6.207 -13.129 1.00 0.88 H new ATOM 0 HB3 MET A 63 5.112 -4.771 -12.740 1.00 0.88 H new ATOM 0 HG2 MET A 63 6.316 -5.852 -11.011 1.00 1.01 H new ATOM 0 HG3 MET A 63 5.137 -7.141 -10.863 1.00 1.01 H new ATOM 0 HE1 MET A 63 6.014 -9.711 -13.499 1.00 1.07 H new ATOM 0 HE2 MET A 63 5.355 -9.406 -11.874 1.00 1.07 H new ATOM 0 HE3 MET A 63 4.607 -8.640 -13.296 1.00 1.07 H new ATOM 959 N VAL A 64 4.127 -5.143 -8.982 1.00 0.71 N ATOM 960 CA VAL A 64 4.427 -4.584 -7.649 1.00 0.67 C ATOM 961 C VAL A 64 5.651 -5.253 -7.010 1.00 0.67 C ATOM 962 O VAL A 64 5.862 -6.456 -7.157 1.00 0.73 O ATOM 963 CB VAL A 64 3.181 -4.673 -6.740 1.00 0.65 C ATOM 964 CG1 VAL A 64 3.426 -4.242 -5.286 1.00 0.60 C ATOM 965 CG2 VAL A 64 2.053 -3.784 -7.282 1.00 0.71 C ATOM 0 H VAL A 64 4.029 -6.158 -8.969 1.00 0.71 H new ATOM 0 HA VAL A 64 4.683 -3.532 -7.772 1.00 0.67 H new ATOM 0 HB VAL A 64 2.915 -5.730 -6.746 1.00 0.65 H new ATOM 0 HG11 VAL A 64 2.500 -4.335 -4.718 1.00 0.60 H new ATOM 0 HG12 VAL A 64 4.190 -4.879 -4.841 1.00 0.60 H new ATOM 0 HG13 VAL A 64 3.761 -3.205 -5.265 1.00 0.60 H new ATOM 0 HG21 VAL A 64 1.184 -3.860 -6.628 1.00 0.71 H new ATOM 0 HG22 VAL A 64 2.391 -2.748 -7.317 1.00 0.71 H new ATOM 0 HG23 VAL A 64 1.782 -4.112 -8.286 1.00 0.71 H new ATOM 975 N ASP A 65 6.448 -4.463 -6.289 1.00 0.67 N ATOM 976 CA ASP A 65 7.692 -4.868 -5.624 1.00 0.68 C ATOM 977 C ASP A 65 7.507 -4.969 -4.095 1.00 0.65 C ATOM 978 O ASP A 65 7.316 -3.956 -3.413 1.00 0.73 O ATOM 979 CB ASP A 65 8.781 -3.859 -6.027 1.00 0.79 C ATOM 980 CG ASP A 65 10.195 -4.261 -5.607 1.00 0.84 C ATOM 981 OD1 ASP A 65 10.367 -5.066 -4.663 1.00 1.61 O ATOM 982 OD2 ASP A 65 11.161 -3.765 -6.236 1.00 2.14 O ATOM 0 H ASP A 65 6.235 -3.476 -6.145 1.00 0.67 H new ATOM 0 HA ASP A 65 7.991 -5.867 -5.942 1.00 0.68 H new ATOM 0 HB2 ASP A 65 8.758 -3.730 -7.109 1.00 0.79 H new ATOM 0 HB3 ASP A 65 8.545 -2.891 -5.586 1.00 0.79 H new ATOM 987 N GLU A 66 7.554 -6.195 -3.557 1.00 0.64 N ATOM 988 CA GLU A 66 7.258 -6.532 -2.154 1.00 0.64 C ATOM 989 C GLU A 66 8.323 -7.429 -1.464 1.00 0.55 C ATOM 990 O GLU A 66 8.070 -7.979 -0.382 1.00 0.62 O ATOM 991 CB GLU A 66 5.800 -7.050 -2.036 1.00 0.92 C ATOM 992 CG GLU A 66 5.384 -8.163 -3.016 1.00 0.82 C ATOM 993 CD GLU A 66 3.903 -8.551 -2.854 1.00 0.86 C ATOM 994 OE1 GLU A 66 3.015 -7.932 -3.491 1.00 1.90 O ATOM 995 OE2 GLU A 66 3.574 -9.459 -2.050 1.00 1.49 O ATOM 0 H GLU A 66 7.810 -7.014 -4.108 1.00 0.64 H new ATOM 0 HA GLU A 66 7.330 -5.613 -1.572 1.00 0.64 H new ATOM 0 HB2 GLU A 66 5.649 -7.416 -1.020 1.00 0.92 H new ATOM 0 HB3 GLU A 66 5.126 -6.205 -2.174 1.00 0.92 H new ATOM 0 HG2 GLU A 66 5.562 -7.830 -4.039 1.00 0.82 H new ATOM 0 HG3 GLU A 66 6.009 -9.041 -2.853 1.00 0.82 H new ATOM 1002 N SER A 67 9.528 -7.534 -2.050 1.00 0.62 N ATOM 1003 CA SER A 67 10.663 -8.347 -1.560 1.00 0.76 C ATOM 1004 C SER A 67 11.271 -7.902 -0.221 1.00 0.74 C ATOM 1005 O SER A 67 11.788 -8.746 0.512 1.00 0.82 O ATOM 1006 CB SER A 67 11.784 -8.464 -2.604 1.00 1.15 C ATOM 1007 OG SER A 67 12.362 -7.205 -2.900 1.00 1.46 O ATOM 0 H SER A 67 9.750 -7.037 -2.912 1.00 0.62 H new ATOM 0 HA SER A 67 10.206 -9.320 -1.382 1.00 0.76 H new ATOM 0 HB2 SER A 67 12.555 -9.140 -2.235 1.00 1.15 H new ATOM 0 HB3 SER A 67 11.385 -8.904 -3.518 1.00 1.15 H new ATOM 0 HG SER A 67 13.072 -7.319 -3.566 1.00 1.46 H new ATOM 1013 N LEU A 68 11.180 -6.617 0.147 1.00 0.93 N ATOM 1014 CA LEU A 68 11.565 -6.132 1.486 1.00 1.10 C ATOM 1015 C LEU A 68 10.460 -6.423 2.505 1.00 1.15 C ATOM 1016 O LEU A 68 10.729 -6.971 3.572 1.00 1.24 O ATOM 1017 CB LEU A 68 11.928 -4.632 1.389 1.00 1.25 C ATOM 1018 CG LEU A 68 12.279 -3.835 2.672 1.00 1.29 C ATOM 1019 CD1 LEU A 68 11.086 -3.581 3.597 1.00 1.51 C ATOM 1020 CD2 LEU A 68 13.398 -4.447 3.514 1.00 1.10 C ATOM 0 H LEU A 68 10.838 -5.882 -0.472 1.00 0.93 H new ATOM 0 HA LEU A 68 12.446 -6.664 1.845 1.00 1.10 H new ATOM 0 HB2 LEU A 68 12.778 -4.547 0.712 1.00 1.25 H new ATOM 0 HB3 LEU A 68 11.089 -4.126 0.912 1.00 1.25 H new ATOM 0 HG LEU A 68 12.625 -2.888 2.257 1.00 1.29 H new ATOM 0 HD11 LEU A 68 11.416 -3.018 4.470 1.00 1.51 H new ATOM 0 HD12 LEU A 68 10.327 -3.010 3.063 1.00 1.51 H new ATOM 0 HD13 LEU A 68 10.665 -4.534 3.917 1.00 1.51 H new ATOM 0 HD21 LEU A 68 13.576 -3.824 4.390 1.00 1.10 H new ATOM 0 HD22 LEU A 68 13.107 -5.448 3.833 1.00 1.10 H new ATOM 0 HD23 LEU A 68 14.310 -4.506 2.920 1.00 1.10 H new ATOM 1032 N ILE A 69 9.212 -6.089 2.164 1.00 1.18 N ATOM 1033 CA ILE A 69 8.071 -6.142 3.092 1.00 1.36 C ATOM 1034 C ILE A 69 7.778 -7.595 3.503 1.00 1.41 C ATOM 1035 O ILE A 69 7.777 -7.930 4.691 1.00 1.63 O ATOM 1036 CB ILE A 69 6.817 -5.472 2.477 1.00 1.33 C ATOM 1037 CG1 ILE A 69 7.049 -4.031 1.951 1.00 1.36 C ATOM 1038 CG2 ILE A 69 5.670 -5.515 3.504 1.00 1.45 C ATOM 1039 CD1 ILE A 69 7.103 -2.937 3.022 1.00 1.40 C ATOM 0 H ILE A 69 8.960 -5.771 1.228 1.00 1.18 H new ATOM 0 HA ILE A 69 8.336 -5.581 3.988 1.00 1.36 H new ATOM 0 HB ILE A 69 6.554 -6.046 1.589 1.00 1.33 H new ATOM 0 HG12 ILE A 69 7.984 -4.014 1.392 1.00 1.36 H new ATOM 0 HG13 ILE A 69 6.253 -3.787 1.248 1.00 1.36 H new ATOM 0 HG21 ILE A 69 4.783 -5.045 3.079 1.00 1.45 H new ATOM 0 HG22 ILE A 69 5.446 -6.552 3.756 1.00 1.45 H new ATOM 0 HG23 ILE A 69 5.968 -4.979 4.405 1.00 1.45 H new ATOM 0 HD11 ILE A 69 7.269 -1.970 2.547 1.00 1.40 H new ATOM 0 HD12 ILE A 69 6.160 -2.916 3.568 1.00 1.40 H new ATOM 0 HD13 ILE A 69 7.919 -3.146 3.714 1.00 1.40 H new ATOM 1051 N THR A 70 7.552 -8.458 2.507 1.00 1.28 N ATOM 1052 CA THR A 70 7.151 -9.866 2.698 1.00 1.40 C ATOM 1053 C THR A 70 8.329 -10.845 2.715 1.00 1.48 C ATOM 1054 O THR A 70 8.172 -12.012 3.075 1.00 1.68 O ATOM 1055 CB THR A 70 6.108 -10.302 1.652 1.00 1.31 C ATOM 1056 OG1 THR A 70 6.652 -10.327 0.347 1.00 1.26 O ATOM 1057 CG2 THR A 70 4.884 -9.385 1.624 1.00 1.59 C ATOM 0 H THR A 70 7.643 -8.198 1.525 1.00 1.28 H new ATOM 0 HA THR A 70 6.699 -9.905 3.689 1.00 1.40 H new ATOM 0 HB THR A 70 5.805 -11.304 1.956 1.00 1.31 H new ATOM 0 HG1 THR A 70 7.081 -9.467 0.155 1.00 1.26 H new ATOM 0 HG21 THR A 70 4.182 -9.739 0.869 1.00 1.59 H new ATOM 0 HG22 THR A 70 4.401 -9.393 2.601 1.00 1.59 H new ATOM 0 HG23 THR A 70 5.196 -8.369 1.382 1.00 1.59 H new ATOM 1065 N GLY A 71 9.523 -10.385 2.327 1.00 1.38 N ATOM 1066 CA GLY A 71 10.710 -11.231 2.169 1.00 1.34 C ATOM 1067 C GLY A 71 10.730 -12.032 0.858 1.00 1.30 C ATOM 1068 O GLY A 71 11.523 -12.965 0.734 1.00 1.43 O ATOM 0 H GLY A 71 9.694 -9.403 2.111 1.00 1.38 H new ATOM 0 HA2 GLY A 71 11.600 -10.604 2.214 1.00 1.34 H new ATOM 0 HA3 GLY A 71 10.765 -11.924 3.008 1.00 1.34 H new ATOM 1072 N GLU A 72 9.854 -11.683 -0.095 1.00 1.26 N ATOM 1073 CA GLU A 72 9.799 -12.185 -1.482 1.00 1.23 C ATOM 1074 C GLU A 72 11.143 -12.069 -2.235 1.00 1.28 C ATOM 1075 O GLU A 72 12.110 -11.504 -1.724 1.00 2.63 O ATOM 1076 CB GLU A 72 8.692 -11.426 -2.254 1.00 1.48 C ATOM 1077 CG GLU A 72 7.421 -12.254 -2.465 1.00 1.07 C ATOM 1078 CD GLU A 72 7.653 -13.521 -3.297 1.00 1.55 C ATOM 1079 OE1 GLU A 72 8.526 -13.535 -4.200 1.00 2.91 O ATOM 1080 OE2 GLU A 72 6.940 -14.521 -3.046 1.00 1.58 O ATOM 0 H GLU A 72 9.118 -11.001 0.090 1.00 1.26 H new ATOM 0 HA GLU A 72 9.573 -13.250 -1.428 1.00 1.23 H new ATOM 0 HB2 GLU A 72 8.438 -10.516 -1.710 1.00 1.48 H new ATOM 0 HB3 GLU A 72 9.082 -11.118 -3.224 1.00 1.48 H new ATOM 0 HG2 GLU A 72 7.014 -12.535 -1.494 1.00 1.07 H new ATOM 0 HG3 GLU A 72 6.671 -11.636 -2.959 1.00 1.07 H new ATOM 1087 N ALA A 73 11.214 -12.582 -3.467 1.00 1.29 N ATOM 1088 CA ALA A 73 12.429 -12.510 -4.292 1.00 1.55 C ATOM 1089 C ALA A 73 12.188 -12.285 -5.799 1.00 1.29 C ATOM 1090 O ALA A 73 13.141 -12.293 -6.583 1.00 1.54 O ATOM 1091 CB ALA A 73 13.294 -13.738 -4.007 1.00 2.24 C ATOM 0 H ALA A 73 10.435 -13.058 -3.922 1.00 1.29 H new ATOM 0 HA ALA A 73 12.962 -11.606 -3.998 1.00 1.55 H new ATOM 0 HB1 ALA A 73 14.198 -13.695 -4.614 1.00 2.24 H new ATOM 0 HB2 ALA A 73 13.566 -13.755 -2.952 1.00 2.24 H new ATOM 0 HB3 ALA A 73 12.735 -14.641 -4.252 1.00 2.24 H new ATOM 1097 N MET A 74 10.950 -12.044 -6.231 1.00 1.02 N ATOM 1098 CA MET A 74 10.625 -11.582 -7.588 1.00 0.82 C ATOM 1099 C MET A 74 9.352 -10.716 -7.539 1.00 0.73 C ATOM 1100 O MET A 74 8.501 -10.945 -6.666 1.00 0.82 O ATOM 1101 CB MET A 74 10.510 -12.767 -8.568 1.00 1.13 C ATOM 1102 CG MET A 74 9.388 -13.750 -8.226 1.00 1.92 C ATOM 1103 SD MET A 74 9.339 -15.222 -9.277 1.00 2.50 S ATOM 1104 CE MET A 74 8.141 -16.207 -8.338 1.00 4.09 C ATOM 0 H MET A 74 10.128 -12.165 -5.640 1.00 1.02 H new ATOM 0 HA MET A 74 11.436 -10.961 -7.969 1.00 0.82 H new ATOM 0 HB2 MET A 74 10.346 -12.379 -9.573 1.00 1.13 H new ATOM 0 HB3 MET A 74 11.458 -13.305 -8.585 1.00 1.13 H new ATOM 0 HG2 MET A 74 9.499 -14.063 -7.188 1.00 1.92 H new ATOM 0 HG3 MET A 74 8.432 -13.232 -8.302 1.00 1.92 H new ATOM 0 HE1 MET A 74 7.982 -17.161 -8.840 1.00 4.09 H new ATOM 0 HE2 MET A 74 8.524 -16.385 -7.333 1.00 4.09 H new ATOM 0 HE3 MET A 74 7.196 -15.668 -8.276 1.00 4.09 H new ATOM 1114 N PRO A 75 9.197 -9.712 -8.421 1.00 0.76 N ATOM 1115 CA PRO A 75 8.041 -8.821 -8.402 1.00 0.83 C ATOM 1116 C PRO A 75 6.758 -9.558 -8.819 1.00 0.78 C ATOM 1117 O PRO A 75 6.796 -10.614 -9.465 1.00 0.80 O ATOM 1118 CB PRO A 75 8.419 -7.643 -9.296 1.00 1.12 C ATOM 1119 CG PRO A 75 9.362 -8.277 -10.313 1.00 1.27 C ATOM 1120 CD PRO A 75 10.105 -9.332 -9.495 1.00 0.95 C ATOM 0 HA PRO A 75 7.805 -8.456 -7.402 1.00 0.83 H new ATOM 0 HB2 PRO A 75 7.545 -7.203 -9.775 1.00 1.12 H new ATOM 0 HB3 PRO A 75 8.908 -6.848 -8.732 1.00 1.12 H new ATOM 0 HG2 PRO A 75 8.816 -8.724 -11.144 1.00 1.27 H new ATOM 0 HG3 PRO A 75 10.046 -7.543 -10.739 1.00 1.27 H new ATOM 0 HD2 PRO A 75 10.365 -10.193 -10.111 1.00 0.95 H new ATOM 0 HD3 PRO A 75 11.037 -8.933 -9.096 1.00 0.95 H new ATOM 1128 N VAL A 76 5.611 -9.014 -8.414 1.00 0.79 N ATOM 1129 CA VAL A 76 4.301 -9.681 -8.464 1.00 0.81 C ATOM 1130 C VAL A 76 3.317 -8.960 -9.382 1.00 0.81 C ATOM 1131 O VAL A 76 3.076 -7.766 -9.211 1.00 0.78 O ATOM 1132 CB VAL A 76 3.719 -9.793 -7.039 1.00 0.88 C ATOM 1133 CG1 VAL A 76 2.474 -10.679 -7.043 1.00 0.92 C ATOM 1134 CG2 VAL A 76 4.708 -10.414 -6.041 1.00 0.94 C ATOM 0 H VAL A 76 5.561 -8.070 -8.030 1.00 0.79 H new ATOM 0 HA VAL A 76 4.454 -10.677 -8.880 1.00 0.81 H new ATOM 0 HB VAL A 76 3.488 -8.773 -6.730 1.00 0.88 H new ATOM 0 HG11 VAL A 76 2.074 -10.749 -6.031 1.00 0.92 H new ATOM 0 HG12 VAL A 76 1.721 -10.246 -7.702 1.00 0.92 H new ATOM 0 HG13 VAL A 76 2.737 -11.675 -7.399 1.00 0.92 H new ATOM 0 HG21 VAL A 76 4.245 -10.468 -5.056 1.00 0.94 H new ATOM 0 HG22 VAL A 76 4.976 -11.418 -6.371 1.00 0.94 H new ATOM 0 HG23 VAL A 76 5.605 -9.798 -5.987 1.00 0.94 H new ATOM 1144 N ALA A 77 2.701 -9.677 -10.323 1.00 0.87 N ATOM 1145 CA ALA A 77 1.644 -9.139 -11.178 1.00 0.85 C ATOM 1146 C ALA A 77 0.294 -9.101 -10.438 1.00 0.72 C ATOM 1147 O ALA A 77 -0.133 -10.096 -9.844 1.00 0.83 O ATOM 1148 CB ALA A 77 1.571 -9.970 -12.462 1.00 1.01 C ATOM 0 H ALA A 77 2.924 -10.654 -10.514 1.00 0.87 H new ATOM 0 HA ALA A 77 1.878 -8.108 -11.442 1.00 0.85 H new ATOM 0 HB1 ALA A 77 0.785 -9.576 -13.106 1.00 1.01 H new ATOM 0 HB2 ALA A 77 2.527 -9.919 -12.983 1.00 1.01 H new ATOM 0 HB3 ALA A 77 1.349 -11.007 -12.212 1.00 1.01 H new ATOM 1154 N LYS A 78 -0.385 -7.949 -10.475 1.00 0.62 N ATOM 1155 CA LYS A 78 -1.672 -7.713 -9.800 1.00 0.52 C ATOM 1156 C LYS A 78 -2.845 -7.753 -10.788 1.00 0.56 C ATOM 1157 O LYS A 78 -2.650 -7.660 -12.000 1.00 0.81 O ATOM 1158 CB LYS A 78 -1.595 -6.395 -9.000 1.00 0.56 C ATOM 1159 CG LYS A 78 -0.435 -6.335 -7.982 1.00 0.63 C ATOM 1160 CD LYS A 78 -0.596 -7.340 -6.829 1.00 0.65 C ATOM 1161 CE LYS A 78 0.641 -7.403 -5.920 1.00 0.70 C ATOM 1162 NZ LYS A 78 0.500 -8.406 -4.830 1.00 0.76 N ATOM 0 H LYS A 78 -0.049 -7.133 -10.987 1.00 0.62 H new ATOM 0 HA LYS A 78 -1.865 -8.520 -9.093 1.00 0.52 H new ATOM 0 HB2 LYS A 78 -1.492 -5.565 -9.699 1.00 0.56 H new ATOM 0 HB3 LYS A 78 -2.536 -6.250 -8.469 1.00 0.56 H new ATOM 0 HG2 LYS A 78 0.505 -6.530 -8.498 1.00 0.63 H new ATOM 0 HG3 LYS A 78 -0.370 -5.327 -7.572 1.00 0.63 H new ATOM 0 HD2 LYS A 78 -1.466 -7.066 -6.233 1.00 0.65 H new ATOM 0 HD3 LYS A 78 -0.790 -8.331 -7.240 1.00 0.65 H new ATOM 0 HE2 LYS A 78 1.517 -7.646 -6.521 1.00 0.70 H new ATOM 0 HE3 LYS A 78 0.817 -6.420 -5.483 1.00 0.70 H new ATOM 0 HZ1 LYS A 78 1.368 -8.420 -4.257 1.00 0.76 H new ATOM 0 HZ2 LYS A 78 -0.309 -8.152 -4.227 1.00 0.76 H new ATOM 0 HZ3 LYS A 78 0.342 -9.347 -5.243 1.00 0.76 H new ATOM 1176 N LYS A 79 -4.056 -7.905 -10.248 1.00 0.63 N ATOM 1177 CA LYS A 79 -5.351 -7.986 -10.951 1.00 0.82 C ATOM 1178 C LYS A 79 -6.480 -7.439 -10.058 1.00 0.81 C ATOM 1179 O LYS A 79 -6.262 -7.333 -8.847 1.00 0.78 O ATOM 1180 CB LYS A 79 -5.650 -9.458 -11.331 1.00 1.14 C ATOM 1181 CG LYS A 79 -5.708 -10.437 -10.140 1.00 2.60 C ATOM 1182 CD LYS A 79 -6.466 -11.734 -10.444 1.00 3.05 C ATOM 1183 CE LYS A 79 -5.873 -12.556 -11.588 1.00 2.63 C ATOM 1184 NZ LYS A 79 -4.580 -13.187 -11.238 1.00 3.70 N ATOM 0 H LYS A 79 -4.173 -7.981 -9.238 1.00 0.63 H new ATOM 0 HA LYS A 79 -5.297 -7.383 -11.857 1.00 0.82 H new ATOM 0 HB2 LYS A 79 -6.602 -9.495 -11.860 1.00 1.14 H new ATOM 0 HB3 LYS A 79 -4.885 -9.801 -12.028 1.00 1.14 H new ATOM 0 HG2 LYS A 79 -4.691 -10.684 -9.835 1.00 2.60 H new ATOM 0 HG3 LYS A 79 -6.183 -9.939 -9.295 1.00 2.60 H new ATOM 0 HD2 LYS A 79 -6.487 -12.348 -9.544 1.00 3.05 H new ATOM 0 HD3 LYS A 79 -7.500 -11.488 -10.687 1.00 3.05 H new ATOM 0 HE2 LYS A 79 -6.583 -13.331 -11.877 1.00 2.63 H new ATOM 0 HE3 LYS A 79 -5.733 -11.912 -12.456 1.00 2.63 H new ATOM 0 HZ1 LYS A 79 -4.227 -13.730 -12.052 1.00 3.70 H new ATOM 0 HZ2 LYS A 79 -3.890 -12.450 -10.989 1.00 3.70 H new ATOM 0 HZ3 LYS A 79 -4.713 -13.825 -10.427 1.00 3.70 H new ATOM 1198 N PRO A 80 -7.687 -7.134 -10.572 1.00 0.89 N ATOM 1199 CA PRO A 80 -8.845 -6.920 -9.704 1.00 0.96 C ATOM 1200 C PRO A 80 -9.103 -8.209 -8.897 1.00 0.95 C ATOM 1201 O PRO A 80 -9.164 -9.304 -9.460 1.00 1.00 O ATOM 1202 CB PRO A 80 -10.004 -6.561 -10.642 1.00 1.07 C ATOM 1203 CG PRO A 80 -9.589 -7.175 -11.981 1.00 1.08 C ATOM 1204 CD PRO A 80 -8.070 -7.014 -11.972 1.00 0.95 C ATOM 0 HA PRO A 80 -8.705 -6.121 -8.976 1.00 0.96 H new ATOM 0 HB2 PRO A 80 -10.949 -6.974 -10.288 1.00 1.07 H new ATOM 0 HB3 PRO A 80 -10.137 -5.482 -10.720 1.00 1.07 H new ATOM 0 HG2 PRO A 80 -9.884 -8.222 -12.055 1.00 1.08 H new ATOM 0 HG3 PRO A 80 -10.046 -6.655 -12.823 1.00 1.08 H new ATOM 0 HD2 PRO A 80 -7.588 -7.780 -12.580 1.00 0.95 H new ATOM 0 HD3 PRO A 80 -7.773 -6.048 -12.381 1.00 0.95 H new ATOM 1212 N GLY A 81 -9.247 -8.094 -7.576 1.00 1.00 N ATOM 1213 CA GLY A 81 -9.269 -9.227 -6.644 1.00 1.01 C ATOM 1214 C GLY A 81 -7.868 -9.714 -6.234 1.00 0.89 C ATOM 1215 O GLY A 81 -7.608 -10.920 -6.232 1.00 0.93 O ATOM 0 H GLY A 81 -9.354 -7.192 -7.112 1.00 1.00 H new ATOM 0 HA2 GLY A 81 -9.821 -8.940 -5.749 1.00 1.01 H new ATOM 0 HA3 GLY A 81 -9.812 -10.053 -7.102 1.00 1.01 H new ATOM 1219 N SER A 82 -6.954 -8.790 -5.910 1.00 0.94 N ATOM 1220 CA SER A 82 -5.556 -9.071 -5.511 1.00 0.80 C ATOM 1221 C SER A 82 -5.167 -8.313 -4.235 1.00 0.86 C ATOM 1222 O SER A 82 -5.715 -7.243 -3.995 1.00 0.96 O ATOM 1223 CB SER A 82 -4.639 -8.658 -6.662 1.00 0.62 C ATOM 1224 OG SER A 82 -3.297 -9.031 -6.456 1.00 1.74 O ATOM 0 H SER A 82 -7.167 -7.793 -5.917 1.00 0.94 H new ATOM 0 HA SER A 82 -5.455 -10.135 -5.298 1.00 0.80 H new ATOM 0 HB2 SER A 82 -4.999 -9.110 -7.586 1.00 0.62 H new ATOM 0 HB3 SER A 82 -4.694 -7.577 -6.794 1.00 0.62 H new ATOM 0 HG SER A 82 -2.914 -9.352 -7.299 1.00 1.74 H new ATOM 1230 N THR A 83 -4.246 -8.805 -3.401 1.00 0.87 N ATOM 1231 CA THR A 83 -3.854 -8.143 -2.137 1.00 0.94 C ATOM 1232 C THR A 83 -2.529 -7.377 -2.243 1.00 0.78 C ATOM 1233 O THR A 83 -1.614 -7.763 -2.981 1.00 0.75 O ATOM 1234 CB THR A 83 -3.800 -9.132 -0.961 1.00 1.19 C ATOM 1235 OG1 THR A 83 -2.840 -10.133 -1.213 1.00 1.33 O ATOM 1236 CG2 THR A 83 -5.155 -9.805 -0.721 1.00 1.45 C ATOM 0 H THR A 83 -3.745 -9.676 -3.577 1.00 0.87 H new ATOM 0 HA THR A 83 -4.638 -7.412 -1.941 1.00 0.94 H new ATOM 0 HB THR A 83 -3.531 -8.561 -0.073 1.00 1.19 H new ATOM 0 HG1 THR A 83 -2.812 -10.757 -0.458 1.00 1.33 H new ATOM 0 HG21 THR A 83 -5.074 -10.496 0.118 1.00 1.45 H new ATOM 0 HG22 THR A 83 -5.903 -9.046 -0.495 1.00 1.45 H new ATOM 0 HG23 THR A 83 -5.453 -10.353 -1.615 1.00 1.45 H new ATOM 1244 N VAL A 84 -2.423 -6.277 -1.490 1.00 0.75 N ATOM 1245 CA VAL A 84 -1.240 -5.400 -1.429 1.00 0.68 C ATOM 1246 C VAL A 84 -0.932 -4.922 -0.004 1.00 0.72 C ATOM 1247 O VAL A 84 -1.831 -4.773 0.829 1.00 0.76 O ATOM 1248 CB VAL A 84 -1.370 -4.186 -2.376 1.00 0.61 C ATOM 1249 CG1 VAL A 84 -1.251 -4.608 -3.846 1.00 0.62 C ATOM 1250 CG2 VAL A 84 -2.683 -3.411 -2.183 1.00 0.63 C ATOM 0 H VAL A 84 -3.180 -5.959 -0.885 1.00 0.75 H new ATOM 0 HA VAL A 84 -0.403 -6.013 -1.764 1.00 0.68 H new ATOM 0 HB VAL A 84 -0.545 -3.523 -2.114 1.00 0.61 H new ATOM 0 HG11 VAL A 84 -1.347 -3.730 -4.485 1.00 0.62 H new ATOM 0 HG12 VAL A 84 -0.280 -5.074 -4.013 1.00 0.62 H new ATOM 0 HG13 VAL A 84 -2.041 -5.319 -4.085 1.00 0.62 H new ATOM 0 HG21 VAL A 84 -2.715 -2.571 -2.876 1.00 0.63 H new ATOM 0 HG22 VAL A 84 -3.528 -4.072 -2.376 1.00 0.63 H new ATOM 0 HG23 VAL A 84 -2.739 -3.040 -1.160 1.00 0.63 H new ATOM 1260 N ILE A 85 0.346 -4.647 0.269 1.00 0.74 N ATOM 1261 CA ILE A 85 0.832 -4.052 1.529 1.00 0.76 C ATOM 1262 C ILE A 85 1.393 -2.641 1.339 1.00 0.71 C ATOM 1263 O ILE A 85 2.022 -2.318 0.327 1.00 0.98 O ATOM 1264 CB ILE A 85 1.850 -4.942 2.295 1.00 0.92 C ATOM 1265 CG1 ILE A 85 2.703 -5.898 1.440 1.00 1.05 C ATOM 1266 CG2 ILE A 85 1.134 -5.756 3.373 1.00 1.21 C ATOM 1267 CD1 ILE A 85 3.604 -5.138 0.471 1.00 1.17 C ATOM 0 H ILE A 85 1.097 -4.835 -0.395 1.00 0.74 H new ATOM 0 HA ILE A 85 -0.059 -3.983 2.153 1.00 0.76 H new ATOM 0 HB ILE A 85 2.553 -4.225 2.718 1.00 0.92 H new ATOM 0 HG12 ILE A 85 3.314 -6.522 2.092 1.00 1.05 H new ATOM 0 HG13 ILE A 85 2.049 -6.567 0.880 1.00 1.05 H new ATOM 0 HG21 ILE A 85 1.858 -6.375 3.902 1.00 1.21 H new ATOM 0 HG22 ILE A 85 0.650 -5.080 4.078 1.00 1.21 H new ATOM 0 HG23 ILE A 85 0.382 -6.394 2.908 1.00 1.21 H new ATOM 0 HD11 ILE A 85 4.190 -5.847 -0.114 1.00 1.17 H new ATOM 0 HD12 ILE A 85 2.991 -4.534 -0.198 1.00 1.17 H new ATOM 0 HD13 ILE A 85 4.276 -4.489 1.032 1.00 1.17 H new ATOM 1279 N ALA A 86 1.208 -1.819 2.375 1.00 0.63 N ATOM 1280 CA ALA A 86 1.818 -0.501 2.496 1.00 0.68 C ATOM 1281 C ALA A 86 3.344 -0.560 2.305 1.00 0.65 C ATOM 1282 O ALA A 86 3.997 -1.515 2.722 1.00 0.67 O ATOM 1283 CB ALA A 86 1.468 0.065 3.875 1.00 0.74 C ATOM 0 H ALA A 86 0.615 -2.061 3.169 1.00 0.63 H new ATOM 0 HA ALA A 86 1.428 0.147 1.711 1.00 0.68 H new ATOM 0 HB1 ALA A 86 1.915 1.053 3.987 1.00 0.74 H new ATOM 0 HB2 ALA A 86 0.385 0.144 3.972 1.00 0.74 H new ATOM 0 HB3 ALA A 86 1.854 -0.598 4.649 1.00 0.74 H new ATOM 1289 N GLY A 87 3.908 0.473 1.683 1.00 0.64 N ATOM 1290 CA GLY A 87 5.348 0.615 1.470 1.00 0.68 C ATOM 1291 C GLY A 87 5.939 -0.169 0.291 1.00 0.70 C ATOM 1292 O GLY A 87 7.099 0.066 -0.049 1.00 0.85 O ATOM 0 H GLY A 87 3.367 1.251 1.305 1.00 0.64 H new ATOM 0 HA2 GLY A 87 5.570 1.672 1.324 1.00 0.68 H new ATOM 0 HA3 GLY A 87 5.861 0.304 2.380 1.00 0.68 H new ATOM 1296 N SER A 88 5.168 -1.041 -0.371 1.00 0.63 N ATOM 1297 CA SER A 88 5.586 -1.639 -1.651 1.00 0.66 C ATOM 1298 C SER A 88 5.606 -0.584 -2.771 1.00 0.71 C ATOM 1299 O SER A 88 5.011 0.492 -2.626 1.00 0.81 O ATOM 1300 CB SER A 88 4.734 -2.867 -2.017 1.00 0.67 C ATOM 1301 OG SER A 88 3.342 -2.609 -2.040 1.00 1.48 O ATOM 0 H SER A 88 4.252 -1.349 -0.044 1.00 0.63 H new ATOM 0 HA SER A 88 6.607 -2.002 -1.531 1.00 0.66 H new ATOM 0 HB2 SER A 88 5.043 -3.233 -2.996 1.00 0.67 H new ATOM 0 HB3 SER A 88 4.935 -3.664 -1.301 1.00 0.67 H new ATOM 0 HG SER A 88 3.009 -2.531 -1.122 1.00 1.48 H new ATOM 1307 N ILE A 89 6.324 -0.866 -3.863 1.00 0.70 N ATOM 1308 CA ILE A 89 6.481 0.052 -5.013 1.00 0.69 C ATOM 1309 C ILE A 89 5.719 -0.478 -6.236 1.00 0.67 C ATOM 1310 O ILE A 89 5.635 -1.691 -6.430 1.00 0.74 O ATOM 1311 CB ILE A 89 7.966 0.332 -5.377 1.00 0.75 C ATOM 1312 CG1 ILE A 89 9.016 0.070 -4.272 1.00 0.74 C ATOM 1313 CG2 ILE A 89 8.088 1.778 -5.896 1.00 0.87 C ATOM 1314 CD1 ILE A 89 8.943 0.988 -3.048 1.00 0.79 C ATOM 0 H ILE A 89 6.822 -1.748 -3.982 1.00 0.70 H new ATOM 0 HA ILE A 89 6.052 1.006 -4.705 1.00 0.69 H new ATOM 0 HB ILE A 89 8.213 -0.404 -6.142 1.00 0.75 H new ATOM 0 HG12 ILE A 89 8.911 -0.961 -3.935 1.00 0.74 H new ATOM 0 HG13 ILE A 89 10.009 0.162 -4.712 1.00 0.74 H new ATOM 0 HG21 ILE A 89 9.126 1.985 -6.154 1.00 0.87 H new ATOM 0 HG22 ILE A 89 7.462 1.901 -6.780 1.00 0.87 H new ATOM 0 HG23 ILE A 89 7.762 2.471 -5.121 1.00 0.87 H new ATOM 0 HD11 ILE A 89 9.725 0.713 -2.340 1.00 0.79 H new ATOM 0 HD12 ILE A 89 9.083 2.023 -3.360 1.00 0.79 H new ATOM 0 HD13 ILE A 89 7.968 0.882 -2.571 1.00 0.79 H new ATOM 1326 N ASN A 90 5.169 0.413 -7.062 1.00 0.71 N ATOM 1327 CA ASN A 90 4.308 0.079 -8.202 1.00 0.69 C ATOM 1328 C ASN A 90 4.987 0.305 -9.574 1.00 0.68 C ATOM 1329 O ASN A 90 5.835 1.185 -9.730 1.00 0.71 O ATOM 1330 CB ASN A 90 3.019 0.909 -8.050 1.00 0.78 C ATOM 1331 CG ASN A 90 1.898 0.440 -8.956 1.00 0.94 C ATOM 1332 OD1 ASN A 90 1.651 -0.744 -9.096 1.00 1.60 O ATOM 1333 ND2 ASN A 90 1.180 1.335 -9.587 1.00 0.90 N ATOM 0 H ASN A 90 5.313 1.417 -6.955 1.00 0.71 H new ATOM 0 HA ASN A 90 4.087 -0.988 -8.189 1.00 0.69 H new ATOM 0 HB2 ASN A 90 2.684 0.862 -7.014 1.00 0.78 H new ATOM 0 HB3 ASN A 90 3.240 1.954 -8.267 1.00 0.78 H new ATOM 0 HD21 ASN A 90 0.416 1.040 -10.194 1.00 0.90 H new ATOM 0 HD22 ASN A 90 1.385 2.327 -9.471 1.00 0.90 H new ATOM 1340 N GLN A 91 4.557 -0.444 -10.592 1.00 0.90 N ATOM 1341 CA GLN A 91 4.900 -0.275 -12.015 1.00 1.19 C ATOM 1342 C GLN A 91 3.629 0.100 -12.821 1.00 1.94 C ATOM 1343 O GLN A 91 2.598 0.450 -12.242 1.00 3.61 O ATOM 1344 CB GLN A 91 5.607 -1.566 -12.500 1.00 1.53 C ATOM 1345 CG GLN A 91 6.626 -1.400 -13.645 1.00 1.88 C ATOM 1346 CD GLN A 91 7.963 -0.803 -13.194 1.00 2.02 C ATOM 1347 OE1 GLN A 91 8.948 -1.503 -12.961 1.00 2.72 O ATOM 1348 NE2 GLN A 91 8.055 0.498 -13.057 1.00 2.36 N ATOM 0 H GLN A 91 3.924 -1.230 -10.442 1.00 0.90 H new ATOM 0 HA GLN A 91 5.596 0.549 -12.170 1.00 1.19 H new ATOM 0 HB2 GLN A 91 6.119 -2.015 -11.649 1.00 1.53 H new ATOM 0 HB3 GLN A 91 4.843 -2.274 -12.822 1.00 1.53 H new ATOM 0 HG2 GLN A 91 6.808 -2.373 -14.102 1.00 1.88 H new ATOM 0 HG3 GLN A 91 6.194 -0.761 -14.415 1.00 1.88 H new ATOM 0 HE21 GLN A 91 7.246 1.089 -13.247 1.00 2.36 H new ATOM 0 HE22 GLN A 91 8.936 0.919 -12.760 1.00 2.36 H new ATOM 1357 N ASN A 92 3.656 0.060 -14.152 1.00 1.25 N ATOM 1358 CA ASN A 92 2.575 0.502 -15.037 1.00 1.86 C ATOM 1359 C ASN A 92 1.449 -0.529 -15.107 1.00 1.45 C ATOM 1360 O ASN A 92 1.723 -1.727 -15.186 1.00 2.62 O ATOM 1361 CB ASN A 92 3.183 0.749 -16.424 1.00 2.92 C ATOM 1362 CG ASN A 92 2.238 1.497 -17.349 1.00 3.75 C ATOM 1363 OD1 ASN A 92 2.283 2.714 -17.487 1.00 4.79 O ATOM 1364 ND2 ASN A 92 1.341 0.804 -18.005 1.00 3.55 N ATOM 0 H ASN A 92 4.463 -0.295 -14.666 1.00 1.25 H new ATOM 0 HA ASN A 92 2.129 1.418 -14.649 1.00 1.86 H new ATOM 0 HB2 ASN A 92 4.107 1.318 -16.316 1.00 2.92 H new ATOM 0 HB3 ASN A 92 3.448 -0.207 -16.876 1.00 2.92 H new ATOM 0 HD21 ASN A 92 0.685 1.277 -18.626 1.00 3.55 H new ATOM 0 HD22 ASN A 92 1.298 -0.209 -17.895 1.00 3.55 H new ATOM 1371 N GLY A 93 0.198 -0.072 -15.129 1.00 1.47 N ATOM 1372 CA GLY A 93 -1.002 -0.909 -15.085 1.00 1.91 C ATOM 1373 C GLY A 93 -2.160 -0.303 -14.267 1.00 2.13 C ATOM 1374 O GLY A 93 -3.111 -1.026 -13.974 1.00 3.51 O ATOM 0 H GLY A 93 -0.016 0.924 -15.180 1.00 1.47 H new ATOM 0 HA2 GLY A 93 -1.345 -1.088 -16.104 1.00 1.91 H new ATOM 0 HA3 GLY A 93 -0.741 -1.879 -14.662 1.00 1.91 H new ATOM 1378 N SER A 94 -2.067 0.985 -13.882 1.00 1.14 N ATOM 1379 CA SER A 94 -3.034 1.817 -13.134 1.00 1.10 C ATOM 1380 C SER A 94 -4.034 1.054 -12.256 1.00 1.01 C ATOM 1381 O SER A 94 -5.175 0.804 -12.658 1.00 1.42 O ATOM 1382 CB SER A 94 -3.762 2.765 -14.095 1.00 1.57 C ATOM 1383 OG SER A 94 -2.987 3.924 -14.311 1.00 1.64 O ATOM 0 H SER A 94 -1.231 1.523 -14.109 1.00 1.14 H new ATOM 0 HA SER A 94 -2.432 2.380 -12.421 1.00 1.10 H new ATOM 0 HB2 SER A 94 -3.949 2.261 -15.043 1.00 1.57 H new ATOM 0 HB3 SER A 94 -4.733 3.039 -13.682 1.00 1.57 H new ATOM 0 HG SER A 94 -3.459 4.523 -14.927 1.00 1.64 H new ATOM 1389 N LEU A 95 -3.617 0.742 -11.024 1.00 0.90 N ATOM 1390 CA LEU A 95 -4.452 0.043 -10.042 1.00 0.93 C ATOM 1391 C LEU A 95 -5.320 1.001 -9.210 1.00 0.77 C ATOM 1392 O LEU A 95 -4.907 2.126 -8.907 1.00 0.67 O ATOM 1393 CB LEU A 95 -3.598 -0.796 -9.074 1.00 0.94 C ATOM 1394 CG LEU A 95 -2.595 -1.801 -9.645 1.00 1.08 C ATOM 1395 CD1 LEU A 95 -1.877 -2.523 -8.504 1.00 1.09 C ATOM 1396 CD2 LEU A 95 -3.283 -2.825 -10.525 1.00 1.38 C ATOM 0 H LEU A 95 -2.685 0.969 -10.678 1.00 0.90 H new ATOM 0 HA LEU A 95 -5.105 -0.605 -10.626 1.00 0.93 H new ATOM 0 HB2 LEU A 95 -3.044 -0.104 -8.440 1.00 0.94 H new ATOM 0 HB3 LEU A 95 -4.281 -1.345 -8.426 1.00 0.94 H new ATOM 0 HG LEU A 95 -1.876 -1.249 -10.250 1.00 1.08 H new ATOM 0 HD11 LEU A 95 -1.164 -3.237 -8.917 1.00 1.09 H new ATOM 0 HD12 LEU A 95 -1.347 -1.795 -7.889 1.00 1.09 H new ATOM 0 HD13 LEU A 95 -2.607 -3.052 -7.892 1.00 1.09 H new ATOM 0 HD21 LEU A 95 -2.544 -3.525 -10.915 1.00 1.38 H new ATOM 0 HD22 LEU A 95 -4.024 -3.369 -9.939 1.00 1.38 H new ATOM 0 HD23 LEU A 95 -3.777 -2.319 -11.354 1.00 1.38 H new ATOM 1408 N LEU A 96 -6.484 0.519 -8.761 1.00 0.80 N ATOM 1409 CA LEU A 96 -7.304 1.188 -7.743 1.00 0.77 C ATOM 1410 C LEU A 96 -7.539 0.250 -6.549 1.00 0.70 C ATOM 1411 O LEU A 96 -7.931 -0.912 -6.708 1.00 0.72 O ATOM 1412 CB LEU A 96 -8.616 1.771 -8.301 1.00 0.91 C ATOM 1413 CG LEU A 96 -8.421 3.010 -9.203 1.00 1.30 C ATOM 1414 CD1 LEU A 96 -8.243 2.645 -10.677 1.00 1.95 C ATOM 1415 CD2 LEU A 96 -9.632 3.941 -9.110 1.00 1.87 C ATOM 0 H LEU A 96 -6.888 -0.355 -9.097 1.00 0.80 H new ATOM 0 HA LEU A 96 -6.742 2.054 -7.392 1.00 0.77 H new ATOM 0 HB2 LEU A 96 -9.132 0.998 -8.870 1.00 0.91 H new ATOM 0 HB3 LEU A 96 -9.265 2.040 -7.468 1.00 0.91 H new ATOM 0 HG LEU A 96 -7.516 3.498 -8.842 1.00 1.30 H new ATOM 0 HD11 LEU A 96 -8.110 3.554 -11.263 1.00 1.95 H new ATOM 0 HD12 LEU A 96 -7.366 2.008 -10.791 1.00 1.95 H new ATOM 0 HD13 LEU A 96 -9.126 2.112 -11.029 1.00 1.95 H new ATOM 0 HD21 LEU A 96 -9.475 4.807 -9.752 1.00 1.87 H new ATOM 0 HD22 LEU A 96 -10.526 3.408 -9.432 1.00 1.87 H new ATOM 0 HD23 LEU A 96 -9.758 4.272 -8.079 1.00 1.87 H new ATOM 1427 N ILE A 97 -7.257 0.769 -5.352 1.00 0.66 N ATOM 1428 CA ILE A 97 -7.187 0.026 -4.088 1.00 0.67 C ATOM 1429 C ILE A 97 -8.338 0.436 -3.161 1.00 0.60 C ATOM 1430 O ILE A 97 -8.476 1.623 -2.855 1.00 0.57 O ATOM 1431 CB ILE A 97 -5.824 0.291 -3.393 1.00 0.74 C ATOM 1432 CG1 ILE A 97 -4.601 0.368 -4.336 1.00 0.96 C ATOM 1433 CG2 ILE A 97 -5.576 -0.729 -2.267 1.00 0.78 C ATOM 1434 CD1 ILE A 97 -4.371 -0.878 -5.189 1.00 1.75 C ATOM 0 H ILE A 97 -7.062 1.763 -5.230 1.00 0.66 H new ATOM 0 HA ILE A 97 -7.277 -1.039 -4.303 1.00 0.67 H new ATOM 0 HB ILE A 97 -5.919 1.294 -2.976 1.00 0.74 H new ATOM 0 HG12 ILE A 97 -4.723 1.226 -4.997 1.00 0.96 H new ATOM 0 HG13 ILE A 97 -3.709 0.551 -3.737 1.00 0.96 H new ATOM 0 HG21 ILE A 97 -4.615 -0.523 -1.795 1.00 0.78 H new ATOM 0 HG22 ILE A 97 -6.370 -0.651 -1.524 1.00 0.78 H new ATOM 0 HG23 ILE A 97 -5.567 -1.736 -2.684 1.00 0.78 H new ATOM 0 HD11 ILE A 97 -3.493 -0.732 -5.818 1.00 1.75 H new ATOM 0 HD12 ILE A 97 -4.213 -1.739 -4.540 1.00 1.75 H new ATOM 0 HD13 ILE A 97 -5.243 -1.054 -5.819 1.00 1.75 H new ATOM 1446 N CYS A 98 -9.132 -0.513 -2.656 1.00 0.61 N ATOM 1447 CA CYS A 98 -10.103 -0.232 -1.596 1.00 0.58 C ATOM 1448 C CYS A 98 -9.387 -0.179 -0.238 1.00 0.63 C ATOM 1449 O CYS A 98 -9.012 -1.202 0.342 1.00 0.89 O ATOM 1450 CB CYS A 98 -11.286 -1.219 -1.632 1.00 0.72 C ATOM 1451 SG CYS A 98 -10.759 -2.955 -1.727 1.00 1.69 S ATOM 0 H CYS A 98 -9.121 -1.485 -2.966 1.00 0.61 H new ATOM 0 HA CYS A 98 -10.547 0.749 -1.764 1.00 0.58 H new ATOM 0 HB2 CYS A 98 -11.896 -1.079 -0.740 1.00 0.72 H new ATOM 0 HB3 CYS A 98 -11.918 -0.989 -2.490 1.00 0.72 H new ATOM 0 HG CYS A 98 -9.498 -3.009 -2.037 1.00 1.69 H new ATOM 1457 N ALA A 99 -9.188 1.028 0.293 1.00 0.55 N ATOM 1458 CA ALA A 99 -8.546 1.220 1.585 1.00 0.70 C ATOM 1459 C ALA A 99 -9.544 0.891 2.704 1.00 0.92 C ATOM 1460 O ALA A 99 -10.560 1.569 2.857 1.00 1.12 O ATOM 1461 CB ALA A 99 -8.020 2.659 1.670 1.00 0.70 C ATOM 0 H ALA A 99 -9.468 1.896 -0.163 1.00 0.55 H new ATOM 0 HA ALA A 99 -7.696 0.548 1.702 1.00 0.70 H new ATOM 0 HB1 ALA A 99 -7.537 2.813 2.635 1.00 0.70 H new ATOM 0 HB2 ALA A 99 -7.298 2.830 0.871 1.00 0.70 H new ATOM 0 HB3 ALA A 99 -8.851 3.357 1.564 1.00 0.70 H new ATOM 1467 N THR A 100 -9.260 -0.177 3.454 1.00 0.96 N ATOM 1468 CA THR A 100 -10.108 -0.682 4.556 1.00 1.17 C ATOM 1469 C THR A 100 -9.387 -0.697 5.909 1.00 1.06 C ATOM 1470 O THR A 100 -9.846 -1.314 6.868 1.00 0.98 O ATOM 1471 CB THR A 100 -10.725 -2.048 4.224 1.00 1.46 C ATOM 1472 OG1 THR A 100 -9.720 -3.007 3.988 1.00 1.78 O ATOM 1473 CG2 THR A 100 -11.606 -1.993 2.976 1.00 2.44 C ATOM 0 H THR A 100 -8.416 -0.733 3.315 1.00 0.96 H new ATOM 0 HA THR A 100 -10.927 0.030 4.656 1.00 1.17 H new ATOM 0 HB THR A 100 -11.331 -2.324 5.087 1.00 1.46 H new ATOM 0 HG1 THR A 100 -10.134 -3.870 3.780 1.00 1.78 H new ATOM 0 HG21 THR A 100 -12.021 -2.982 2.780 1.00 2.44 H new ATOM 0 HG22 THR A 100 -12.418 -1.284 3.135 1.00 2.44 H new ATOM 0 HG23 THR A 100 -11.008 -1.674 2.122 1.00 2.44 H new ATOM 1481 N HIS A 101 -8.268 0.025 6.007 1.00 1.07 N ATOM 1482 CA HIS A 101 -7.398 0.109 7.178 1.00 0.91 C ATOM 1483 C HIS A 101 -6.732 1.489 7.252 1.00 0.91 C ATOM 1484 O HIS A 101 -6.378 2.055 6.216 1.00 0.99 O ATOM 1485 CB HIS A 101 -6.257 -0.922 7.067 1.00 0.95 C ATOM 1486 CG HIS A 101 -6.663 -2.330 6.720 1.00 1.16 C ATOM 1487 ND1 HIS A 101 -6.545 -2.919 5.483 1.00 1.57 N ATOM 1488 CD2 HIS A 101 -7.118 -3.287 7.580 1.00 1.26 C ATOM 1489 CE1 HIS A 101 -6.934 -4.198 5.582 1.00 1.78 C ATOM 1490 NE2 HIS A 101 -7.238 -4.485 6.861 1.00 1.62 N ATOM 0 H HIS A 101 -7.929 0.595 5.232 1.00 1.07 H new ATOM 0 HA HIS A 101 -8.015 -0.076 8.057 1.00 0.91 H new ATOM 0 HB2 HIS A 101 -5.552 -0.573 6.312 1.00 0.95 H new ATOM 0 HB3 HIS A 101 -5.722 -0.944 8.016 1.00 0.95 H new ATOM 0 HD1 HIS A 101 -6.217 -2.460 4.633 1.00 1.57 H new ATOM 0 HD2 HIS A 101 -7.345 -3.147 8.627 1.00 1.26 H new ATOM 0 HE1 HIS A 101 -6.994 -4.894 4.758 1.00 1.78 H new ATOM 1498 N VAL A 102 -6.504 1.991 8.465 1.00 0.91 N ATOM 1499 CA VAL A 102 -5.619 3.144 8.721 1.00 0.99 C ATOM 1500 C VAL A 102 -4.264 2.649 9.225 1.00 1.08 C ATOM 1501 O VAL A 102 -4.136 1.483 9.609 1.00 1.09 O ATOM 1502 CB VAL A 102 -6.254 4.202 9.633 1.00 1.07 C ATOM 1503 CG1 VAL A 102 -7.460 4.814 8.925 1.00 1.55 C ATOM 1504 CG2 VAL A 102 -6.682 3.664 10.998 1.00 1.52 C ATOM 0 H VAL A 102 -6.929 1.610 9.311 1.00 0.91 H new ATOM 0 HA VAL A 102 -5.460 3.666 7.778 1.00 0.99 H new ATOM 0 HB VAL A 102 -5.486 4.951 9.826 1.00 1.07 H new ATOM 0 HG11 VAL A 102 -7.916 5.567 9.568 1.00 1.55 H new ATOM 0 HG12 VAL A 102 -7.138 5.279 7.994 1.00 1.55 H new ATOM 0 HG13 VAL A 102 -8.189 4.033 8.707 1.00 1.55 H new ATOM 0 HG21 VAL A 102 -7.122 4.470 11.585 1.00 1.52 H new ATOM 0 HG22 VAL A 102 -7.418 2.871 10.862 1.00 1.52 H new ATOM 0 HG23 VAL A 102 -5.812 3.266 11.521 1.00 1.52 H new ATOM 1514 N GLY A 103 -3.236 3.501 9.205 1.00 1.21 N ATOM 1515 CA GLY A 103 -1.840 3.091 9.441 1.00 1.36 C ATOM 1516 C GLY A 103 -1.625 2.271 10.718 1.00 1.40 C ATOM 1517 O GLY A 103 -1.015 1.202 10.667 1.00 1.49 O ATOM 0 H GLY A 103 -3.344 4.499 9.024 1.00 1.21 H new ATOM 0 HA2 GLY A 103 -1.497 2.507 8.587 1.00 1.36 H new ATOM 0 HA3 GLY A 103 -1.216 3.983 9.488 1.00 1.36 H new ATOM 1521 N ALA A 104 -2.216 2.691 11.837 1.00 1.47 N ATOM 1522 CA ALA A 104 -2.078 2.021 13.133 1.00 1.56 C ATOM 1523 C ALA A 104 -2.684 0.602 13.183 1.00 1.44 C ATOM 1524 O ALA A 104 -2.305 -0.192 14.048 1.00 1.62 O ATOM 1525 CB ALA A 104 -2.726 2.920 14.189 1.00 1.77 C ATOM 0 H ALA A 104 -2.813 3.518 11.870 1.00 1.47 H new ATOM 0 HA ALA A 104 -1.015 1.875 13.322 1.00 1.56 H new ATOM 0 HB1 ALA A 104 -2.641 2.450 15.169 1.00 1.77 H new ATOM 0 HB2 ALA A 104 -2.221 3.886 14.205 1.00 1.77 H new ATOM 0 HB3 ALA A 104 -3.779 3.065 13.947 1.00 1.77 H new ATOM 1531 N ASP A 105 -3.649 0.282 12.314 1.00 1.28 N ATOM 1532 CA ASP A 105 -4.169 -1.076 12.098 1.00 1.23 C ATOM 1533 C ASP A 105 -3.284 -1.979 11.221 1.00 1.13 C ATOM 1534 O ASP A 105 -3.353 -3.204 11.337 1.00 1.32 O ATOM 1535 CB ASP A 105 -5.574 -0.992 11.480 1.00 1.30 C ATOM 1536 CG ASP A 105 -6.422 -2.206 11.867 1.00 1.59 C ATOM 1537 OD1 ASP A 105 -6.943 -2.202 13.008 1.00 2.58 O ATOM 1538 OD2 ASP A 105 -6.598 -3.148 11.053 1.00 2.26 O ATOM 0 H ASP A 105 -4.104 0.979 11.724 1.00 1.28 H new ATOM 0 HA ASP A 105 -4.187 -1.543 13.083 1.00 1.23 H new ATOM 0 HB2 ASP A 105 -6.067 -0.079 11.814 1.00 1.30 H new ATOM 0 HB3 ASP A 105 -5.494 -0.932 10.395 1.00 1.30 H new ATOM 1543 N THR A 106 -2.471 -1.401 10.328 1.00 0.98 N ATOM 1544 CA THR A 106 -1.817 -2.125 9.218 1.00 0.93 C ATOM 1545 C THR A 106 -1.032 -3.377 9.610 1.00 1.00 C ATOM 1546 O THR A 106 -0.320 -3.395 10.615 1.00 1.07 O ATOM 1547 CB THR A 106 -0.903 -1.233 8.359 1.00 0.99 C ATOM 1548 OG1 THR A 106 0.105 -0.616 9.128 1.00 1.72 O ATOM 1549 CG2 THR A 106 -1.676 -0.170 7.583 1.00 1.28 C ATOM 0 H THR A 106 -2.243 -0.407 10.351 1.00 0.98 H new ATOM 0 HA THR A 106 -2.679 -2.450 8.635 1.00 0.93 H new ATOM 0 HB THR A 106 -0.436 -1.904 7.638 1.00 0.99 H new ATOM 0 HG1 THR A 106 -0.296 -0.197 9.918 1.00 1.72 H new ATOM 0 HG21 THR A 106 -0.981 0.429 6.995 1.00 1.28 H new ATOM 0 HG22 THR A 106 -2.391 -0.653 6.917 1.00 1.28 H new ATOM 0 HG23 THR A 106 -2.209 0.475 8.282 1.00 1.28 H new ATOM 1557 N THR A 107 -1.084 -4.404 8.754 1.00 1.13 N ATOM 1558 CA THR A 107 -0.293 -5.645 8.900 1.00 1.30 C ATOM 1559 C THR A 107 1.217 -5.355 8.892 1.00 1.34 C ATOM 1560 O THR A 107 1.975 -5.950 9.653 1.00 1.43 O ATOM 1561 CB THR A 107 -0.715 -6.673 7.834 1.00 1.57 C ATOM 1562 OG1 THR A 107 -0.189 -7.945 8.119 1.00 1.83 O ATOM 1563 CG2 THR A 107 -0.275 -6.324 6.415 1.00 2.03 C ATOM 0 H THR A 107 -1.682 -4.403 7.928 1.00 1.13 H new ATOM 0 HA THR A 107 -0.505 -6.086 9.874 1.00 1.30 H new ATOM 0 HB THR A 107 -1.804 -6.663 7.874 1.00 1.57 H new ATOM 0 HG1 THR A 107 -0.473 -8.579 7.428 1.00 1.83 H new ATOM 0 HG21 THR A 107 -0.613 -7.100 5.728 1.00 2.03 H new ATOM 0 HG22 THR A 107 -0.709 -5.367 6.124 1.00 2.03 H new ATOM 0 HG23 THR A 107 0.812 -6.255 6.378 1.00 2.03 H new ATOM 1571 N LEU A 108 1.642 -4.324 8.149 1.00 1.32 N ATOM 1572 CA LEU A 108 2.986 -3.749 8.187 1.00 1.33 C ATOM 1573 C LEU A 108 3.416 -3.367 9.618 1.00 1.31 C ATOM 1574 O LEU A 108 4.523 -3.692 10.043 1.00 1.36 O ATOM 1575 CB LEU A 108 2.965 -2.512 7.265 1.00 1.36 C ATOM 1576 CG LEU A 108 4.330 -1.824 7.100 1.00 0.75 C ATOM 1577 CD1 LEU A 108 5.288 -2.731 6.342 1.00 1.63 C ATOM 1578 CD2 LEU A 108 4.180 -0.540 6.293 1.00 0.82 C ATOM 0 H LEU A 108 1.033 -3.852 7.481 1.00 1.32 H new ATOM 0 HA LEU A 108 3.717 -4.483 7.847 1.00 1.33 H new ATOM 0 HB2 LEU A 108 2.601 -2.812 6.282 1.00 1.36 H new ATOM 0 HB3 LEU A 108 2.252 -1.789 7.662 1.00 1.36 H new ATOM 0 HG LEU A 108 4.716 -1.606 8.096 1.00 0.75 H new ATOM 0 HD11 LEU A 108 6.251 -2.232 6.232 1.00 1.63 H new ATOM 0 HD12 LEU A 108 5.422 -3.661 6.894 1.00 1.63 H new ATOM 0 HD13 LEU A 108 4.878 -2.950 5.356 1.00 1.63 H new ATOM 0 HD21 LEU A 108 5.154 -0.063 6.184 1.00 0.82 H new ATOM 0 HD22 LEU A 108 3.778 -0.775 5.307 1.00 0.82 H new ATOM 0 HD23 LEU A 108 3.500 0.137 6.810 1.00 0.82 H new ATOM 1590 N SER A 109 2.520 -2.726 10.378 1.00 1.32 N ATOM 1591 CA SER A 109 2.750 -2.389 11.786 1.00 1.43 C ATOM 1592 C SER A 109 2.713 -3.613 12.714 1.00 1.56 C ATOM 1593 O SER A 109 3.330 -3.597 13.773 1.00 1.67 O ATOM 1594 CB SER A 109 1.792 -1.288 12.256 1.00 1.49 C ATOM 1595 OG SER A 109 0.514 -1.798 12.603 1.00 2.94 O ATOM 0 H SER A 109 1.610 -2.425 10.030 1.00 1.32 H new ATOM 0 HA SER A 109 3.766 -2.000 11.849 1.00 1.43 H new ATOM 0 HB2 SER A 109 2.223 -0.778 13.117 1.00 1.49 H new ATOM 0 HB3 SER A 109 1.682 -0.544 11.467 1.00 1.49 H new ATOM 0 HG SER A 109 0.101 -2.209 11.815 1.00 2.94 H new ATOM 1601 N GLN A 110 2.028 -4.700 12.335 1.00 1.59 N ATOM 1602 CA GLN A 110 2.006 -5.943 13.114 1.00 1.73 C ATOM 1603 C GLN A 110 3.348 -6.682 13.055 1.00 1.77 C ATOM 1604 O GLN A 110 3.829 -7.160 14.081 1.00 1.93 O ATOM 1605 CB GLN A 110 0.832 -6.823 12.656 1.00 1.75 C ATOM 1606 CG GLN A 110 0.662 -8.088 13.501 1.00 2.04 C ATOM 1607 CD GLN A 110 0.314 -7.717 14.928 1.00 2.35 C ATOM 1608 OE1 GLN A 110 1.116 -7.809 15.845 1.00 2.72 O ATOM 1609 NE2 GLN A 110 -0.858 -7.179 15.149 1.00 2.37 N ATOM 0 H GLN A 110 1.474 -4.741 11.480 1.00 1.59 H new ATOM 0 HA GLN A 110 1.853 -5.692 14.164 1.00 1.73 H new ATOM 0 HB2 GLN A 110 -0.088 -6.240 12.697 1.00 1.75 H new ATOM 0 HB3 GLN A 110 0.984 -7.107 11.615 1.00 1.75 H new ATOM 0 HG2 GLN A 110 -0.123 -8.715 13.078 1.00 2.04 H new ATOM 0 HG3 GLN A 110 1.581 -8.673 13.483 1.00 2.04 H new ATOM 0 HE21 GLN A 110 -1.534 -7.098 14.389 1.00 2.37 H new ATOM 0 HE22 GLN A 110 -1.096 -6.840 16.081 1.00 2.37 H new ATOM 1618 N ILE A 111 3.993 -6.702 11.886 1.00 1.65 N ATOM 1619 CA ILE A 111 5.343 -7.276 11.709 1.00 1.66 C ATOM 1620 C ILE A 111 6.316 -6.652 12.723 1.00 1.61 C ATOM 1621 O ILE A 111 6.921 -7.368 13.526 1.00 1.71 O ATOM 1622 CB ILE A 111 5.833 -7.097 10.249 1.00 1.54 C ATOM 1623 CG1 ILE A 111 4.953 -7.910 9.269 1.00 1.64 C ATOM 1624 CG2 ILE A 111 7.310 -7.512 10.109 1.00 1.62 C ATOM 1625 CD1 ILE A 111 5.175 -7.554 7.792 1.00 1.61 C ATOM 0 H ILE A 111 3.597 -6.320 11.027 1.00 1.65 H new ATOM 0 HA ILE A 111 5.302 -8.348 11.900 1.00 1.66 H new ATOM 0 HB ILE A 111 5.747 -6.040 9.996 1.00 1.54 H new ATOM 0 HG12 ILE A 111 5.154 -8.972 9.411 1.00 1.64 H new ATOM 0 HG13 ILE A 111 3.904 -7.748 9.518 1.00 1.64 H new ATOM 0 HG21 ILE A 111 7.629 -7.377 9.076 1.00 1.62 H new ATOM 0 HG22 ILE A 111 7.925 -6.894 10.763 1.00 1.62 H new ATOM 0 HG23 ILE A 111 7.422 -8.559 10.389 1.00 1.62 H new ATOM 0 HD11 ILE A 111 4.523 -8.165 7.168 1.00 1.61 H new ATOM 0 HD12 ILE A 111 4.945 -6.500 7.633 1.00 1.61 H new ATOM 0 HD13 ILE A 111 6.215 -7.743 7.524 1.00 1.61 H new ATOM 1637 N VAL A 112 6.418 -5.318 12.740 1.00 1.50 N ATOM 1638 CA VAL A 112 7.295 -4.585 13.674 1.00 1.44 C ATOM 1639 C VAL A 112 6.821 -4.607 15.131 1.00 1.53 C ATOM 1640 O VAL A 112 7.622 -4.364 16.032 1.00 1.48 O ATOM 1641 CB VAL A 112 7.552 -3.138 13.220 1.00 1.41 C ATOM 1642 CG1 VAL A 112 8.239 -3.110 11.853 1.00 1.34 C ATOM 1643 CG2 VAL A 112 6.278 -2.298 13.124 1.00 1.53 C ATOM 0 H VAL A 112 5.896 -4.711 12.108 1.00 1.50 H new ATOM 0 HA VAL A 112 8.236 -5.134 13.645 1.00 1.44 H new ATOM 0 HB VAL A 112 8.193 -2.705 13.988 1.00 1.41 H new ATOM 0 HG11 VAL A 112 8.410 -2.076 11.553 1.00 1.34 H new ATOM 0 HG12 VAL A 112 9.193 -3.633 11.915 1.00 1.34 H new ATOM 0 HG13 VAL A 112 7.603 -3.601 11.116 1.00 1.34 H new ATOM 0 HG21 VAL A 112 6.531 -1.289 12.799 1.00 1.53 H new ATOM 0 HG22 VAL A 112 5.597 -2.751 12.404 1.00 1.53 H new ATOM 0 HG23 VAL A 112 5.797 -2.254 14.101 1.00 1.53 H new