USER MOD reduce.3.24.130724 H: found=0, std=0, add=776, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 776 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 100 THR OG1 : rot 58:sc= 0.663 USER MOD Set 1.2: A 101 HIS : no HD1:sc= 0.572 K(o=1.2,f=-1.4) USER MOD Set 2.1: A 62 SER OG : rot -43:sc= 1.09 USER MOD Set 2.2: A 90 ASN : amide:sc= -0.137 K(o=0.95,f=-2.8!) 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= 0.31 X(o=0.31,f=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.00935 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 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 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot -149:sc= 1.15 USER MOD Single : A 74 MET CE :methyl -170:sc= 0 (180deg=-0.0727) USER MOD Single : A 78 LYS NZ :NH3+ -172:sc= 2.21 (180deg=2.06) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 120:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot -79:sc= 1.26 USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 ASN : amide:sc= -0.0906 X(o=-0.091,f=0) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 98 CYS SG : rot -29:sc= 0.595 USER MOD Single : A 106 THR OG1 : rot -77:sc= 1.26 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 135:sc= 1.1 USER MOD Single : A 110 GLN : amide:sc= -0.0316 X(o=-0.032,f=-0.019) USER MOD ----------------------------------------------------------------- ATOM 27 N ALA A 3 16.755 -2.782 11.460 1.00 1.69 N ATOM 28 CA ALA A 3 15.790 -3.289 10.484 1.00 1.50 C ATOM 29 C ALA A 3 14.333 -2.956 10.862 1.00 1.08 C ATOM 30 O ALA A 3 13.472 -2.864 9.984 1.00 1.05 O ATOM 31 CB ALA A 3 15.987 -4.803 10.364 1.00 1.79 C ATOM 0 HA ALA A 3 15.970 -2.800 9.527 1.00 1.50 H new ATOM 0 HB1 ALA A 3 15.278 -5.206 9.641 1.00 1.79 H new ATOM 0 HB2 ALA A 3 17.004 -5.012 10.031 1.00 1.79 H new ATOM 0 HB3 ALA A 3 15.820 -5.270 11.335 1.00 1.79 H new ATOM 37 N LEU A 4 14.053 -2.735 12.155 1.00 1.01 N ATOM 38 CA LEU A 4 12.725 -2.385 12.673 1.00 0.82 C ATOM 39 C LEU A 4 12.208 -1.086 12.042 1.00 0.80 C ATOM 40 O LEU A 4 11.044 -0.998 11.654 1.00 1.09 O ATOM 41 CB LEU A 4 12.815 -2.263 14.201 1.00 1.13 C ATOM 42 CG LEU A 4 11.453 -2.306 14.921 1.00 1.22 C ATOM 43 CD1 LEU A 4 11.685 -2.863 16.318 1.00 2.00 C ATOM 44 CD2 LEU A 4 10.790 -0.936 15.082 1.00 2.98 C ATOM 0 H LEU A 4 14.762 -2.797 12.886 1.00 1.01 H new ATOM 0 HA LEU A 4 12.013 -3.167 12.410 1.00 0.82 H new ATOM 0 HB2 LEU A 4 13.440 -3.070 14.582 1.00 1.13 H new ATOM 0 HB3 LEU A 4 13.315 -1.327 14.450 1.00 1.13 H new ATOM 0 HG LEU A 4 10.790 -2.918 14.310 1.00 1.22 H new ATOM 0 HD11 LEU A 4 10.737 -2.906 16.855 1.00 2.00 H new ATOM 0 HD12 LEU A 4 12.106 -3.866 16.245 1.00 2.00 H new ATOM 0 HD13 LEU A 4 12.378 -2.217 16.857 1.00 2.00 H new ATOM 0 HD21 LEU A 4 9.837 -1.052 15.598 1.00 2.98 H new ATOM 0 HD22 LEU A 4 11.441 -0.283 15.664 1.00 2.98 H new ATOM 0 HD23 LEU A 4 10.620 -0.496 14.099 1.00 2.98 H new ATOM 56 N ALA A 5 13.081 -0.088 11.872 1.00 0.84 N ATOM 57 CA ALA A 5 12.708 1.212 11.332 1.00 0.94 C ATOM 58 C ALA A 5 12.431 1.190 9.818 1.00 0.79 C ATOM 59 O ALA A 5 11.826 2.129 9.300 1.00 0.92 O ATOM 60 CB ALA A 5 13.832 2.187 11.683 1.00 1.18 C ATOM 0 H ALA A 5 14.070 -0.165 12.108 1.00 0.84 H new ATOM 0 HA ALA A 5 11.764 1.525 11.778 1.00 0.94 H new ATOM 0 HB1 ALA A 5 13.590 3.176 11.295 1.00 1.18 H new ATOM 0 HB2 ALA A 5 13.943 2.240 12.766 1.00 1.18 H new ATOM 0 HB3 ALA A 5 14.765 1.841 11.239 1.00 1.18 H new ATOM 66 N LYS A 6 12.814 0.132 9.082 1.00 0.80 N ATOM 67 CA LYS A 6 12.564 0.055 7.634 1.00 0.84 C ATOM 68 C LYS A 6 11.068 -0.061 7.328 1.00 0.76 C ATOM 69 O LYS A 6 10.590 0.547 6.377 1.00 0.83 O ATOM 70 CB LYS A 6 13.414 -1.074 7.025 1.00 1.02 C ATOM 71 CG LYS A 6 13.332 -1.077 5.491 1.00 1.30 C ATOM 72 CD LYS A 6 14.475 -1.880 4.856 1.00 1.65 C ATOM 73 CE LYS A 6 14.297 -1.866 3.336 1.00 2.03 C ATOM 74 NZ LYS A 6 15.511 -2.316 2.620 1.00 2.39 N ATOM 0 H LYS A 6 13.297 -0.680 9.466 1.00 0.80 H new ATOM 0 HA LYS A 6 12.876 0.984 7.157 1.00 0.84 H new ATOM 0 HB2 LYS A 6 14.452 -0.956 7.334 1.00 1.02 H new ATOM 0 HB3 LYS A 6 13.074 -2.035 7.410 1.00 1.02 H new ATOM 0 HG2 LYS A 6 12.376 -1.499 5.180 1.00 1.30 H new ATOM 0 HG3 LYS A 6 13.362 -0.051 5.124 1.00 1.30 H new ATOM 0 HD2 LYS A 6 15.438 -1.447 5.128 1.00 1.65 H new ATOM 0 HD3 LYS A 6 14.470 -2.905 5.228 1.00 1.65 H new ATOM 0 HE2 LYS A 6 13.460 -2.509 3.065 1.00 2.03 H new ATOM 0 HE3 LYS A 6 14.041 -0.857 3.013 1.00 2.03 H new ATOM 0 HZ1 LYS A 6 15.340 -2.288 1.595 1.00 2.39 H new ATOM 0 HZ2 LYS A 6 16.306 -1.688 2.855 1.00 2.39 H new ATOM 0 HZ3 LYS A 6 15.742 -3.289 2.906 1.00 2.39 H new ATOM 88 N LEU A 7 10.303 -0.728 8.195 1.00 0.73 N ATOM 89 CA LEU A 7 8.833 -0.776 8.144 1.00 0.83 C ATOM 90 C LEU A 7 8.204 0.622 8.338 1.00 0.87 C ATOM 91 O LEU A 7 7.123 0.893 7.813 1.00 1.13 O ATOM 92 CB LEU A 7 8.332 -1.769 9.210 1.00 0.86 C ATOM 93 CG LEU A 7 8.432 -3.278 8.902 1.00 0.87 C ATOM 94 CD1 LEU A 7 7.520 -3.689 7.747 1.00 0.98 C ATOM 95 CD2 LEU A 7 9.845 -3.757 8.571 1.00 0.87 C ATOM 0 H LEU A 7 10.693 -1.263 8.971 1.00 0.73 H new ATOM 0 HA LEU A 7 8.524 -1.116 7.156 1.00 0.83 H new ATOM 0 HB2 LEU A 7 8.886 -1.579 10.129 1.00 0.86 H new ATOM 0 HB3 LEU A 7 7.286 -1.539 9.415 1.00 0.86 H new ATOM 0 HG LEU A 7 8.116 -3.753 9.831 1.00 0.87 H new ATOM 0 HD11 LEU A 7 7.623 -4.759 7.565 1.00 0.98 H new ATOM 0 HD12 LEU A 7 6.485 -3.462 8.002 1.00 0.98 H new ATOM 0 HD13 LEU A 7 7.801 -3.140 6.848 1.00 0.98 H new ATOM 0 HD21 LEU A 7 9.828 -4.828 8.367 1.00 0.87 H new ATOM 0 HD22 LEU A 7 10.213 -3.226 7.693 1.00 0.87 H new ATOM 0 HD23 LEU A 7 10.504 -3.559 9.417 1.00 0.87 H new ATOM 107 N ILE A 8 8.881 1.524 9.056 1.00 0.83 N ATOM 108 CA ILE A 8 8.519 2.948 9.128 1.00 1.05 C ATOM 109 C ILE A 8 8.880 3.694 7.834 1.00 0.95 C ATOM 110 O ILE A 8 8.077 4.489 7.344 1.00 0.99 O ATOM 111 CB ILE A 8 9.082 3.625 10.395 1.00 1.37 C ATOM 112 CG1 ILE A 8 8.631 2.875 11.666 1.00 1.60 C ATOM 113 CG2 ILE A 8 8.693 5.112 10.450 1.00 1.59 C ATOM 114 CD1 ILE A 8 7.120 2.674 11.844 1.00 1.74 C ATOM 0 H ILE A 8 9.704 1.286 9.610 1.00 0.83 H new ATOM 0 HA ILE A 8 7.434 3.004 9.218 1.00 1.05 H new ATOM 0 HB ILE A 8 10.170 3.575 10.349 1.00 1.37 H new ATOM 0 HG12 ILE A 8 9.108 1.895 11.671 1.00 1.60 H new ATOM 0 HG13 ILE A 8 9.007 3.417 12.533 1.00 1.60 H new ATOM 0 HG21 ILE A 8 9.104 5.562 11.354 1.00 1.59 H new ATOM 0 HG22 ILE A 8 9.092 5.625 9.575 1.00 1.59 H new ATOM 0 HG23 ILE A 8 7.607 5.204 10.460 1.00 1.59 H new ATOM 0 HD11 ILE A 8 6.932 2.135 12.773 1.00 1.74 H new ATOM 0 HD12 ILE A 8 6.626 3.645 11.881 1.00 1.74 H new ATOM 0 HD13 ILE A 8 6.728 2.099 11.005 1.00 1.74 H new ATOM 126 N SER A 9 10.027 3.405 7.208 1.00 0.92 N ATOM 127 CA SER A 9 10.427 4.029 5.934 1.00 1.07 C ATOM 128 C SER A 9 9.497 3.637 4.776 1.00 0.97 C ATOM 129 O SER A 9 9.257 4.424 3.862 1.00 1.12 O ATOM 130 CB SER A 9 11.846 3.603 5.536 1.00 1.46 C ATOM 131 OG SER A 9 12.793 3.843 6.558 1.00 1.79 O ATOM 0 H SER A 9 10.706 2.733 7.567 1.00 0.92 H new ATOM 0 HA SER A 9 10.373 5.105 6.102 1.00 1.07 H new ATOM 0 HB2 SER A 9 11.846 2.542 5.287 1.00 1.46 H new ATOM 0 HB3 SER A 9 12.144 4.141 4.636 1.00 1.46 H new ATOM 0 HG SER A 9 13.680 3.554 6.257 1.00 1.79 H new ATOM 137 N LEU A 10 8.943 2.422 4.827 1.00 0.93 N ATOM 138 CA LEU A 10 8.006 1.848 3.853 1.00 1.20 C ATOM 139 C LEU A 10 6.601 2.487 3.893 1.00 1.30 C ATOM 140 O LEU A 10 5.799 2.270 2.984 1.00 1.71 O ATOM 141 CB LEU A 10 7.969 0.326 4.109 1.00 1.28 C ATOM 142 CG LEU A 10 9.224 -0.394 3.570 1.00 1.35 C ATOM 143 CD1 LEU A 10 9.413 -1.757 4.231 1.00 2.16 C ATOM 144 CD2 LEU A 10 9.116 -0.640 2.067 1.00 1.13 C ATOM 0 H LEU A 10 9.146 1.776 5.590 1.00 0.93 H new ATOM 0 HA LEU A 10 8.355 2.062 2.843 1.00 1.20 H new ATOM 0 HB2 LEU A 10 7.881 0.143 5.180 1.00 1.28 H new ATOM 0 HB3 LEU A 10 7.081 -0.097 3.639 1.00 1.28 H new ATOM 0 HG LEU A 10 10.068 0.259 3.795 1.00 1.35 H new ATOM 0 HD11 LEU A 10 10.305 -2.236 3.828 1.00 2.16 H new ATOM 0 HD12 LEU A 10 9.525 -1.627 5.307 1.00 2.16 H new ATOM 0 HD13 LEU A 10 8.543 -2.383 4.030 1.00 2.16 H new ATOM 0 HD21 LEU A 10 10.014 -1.148 1.716 1.00 1.13 H new ATOM 0 HD22 LEU A 10 8.244 -1.261 1.862 1.00 1.13 H new ATOM 0 HD23 LEU A 10 9.013 0.313 1.549 1.00 1.13 H new ATOM 156 N GLN A 11 6.299 3.290 4.915 1.00 1.08 N ATOM 157 CA GLN A 11 5.040 4.029 5.054 1.00 1.23 C ATOM 158 C GLN A 11 5.070 5.403 4.351 1.00 1.23 C ATOM 159 O GLN A 11 6.137 5.963 4.067 1.00 1.20 O ATOM 160 CB GLN A 11 4.667 4.086 6.537 1.00 1.33 C ATOM 161 CG GLN A 11 4.012 2.764 6.950 1.00 1.29 C ATOM 162 CD GLN A 11 3.790 2.787 8.440 1.00 1.50 C ATOM 163 OE1 GLN A 11 2.893 3.445 8.952 1.00 2.01 O ATOM 164 NE2 GLN A 11 4.656 2.161 9.193 1.00 2.29 N ATOM 0 H GLN A 11 6.941 3.450 5.691 1.00 1.08 H new ATOM 0 HA GLN A 11 4.245 3.499 4.529 1.00 1.23 H new ATOM 0 HB2 GLN A 11 5.557 4.267 7.140 1.00 1.33 H new ATOM 0 HB3 GLN A 11 3.984 4.915 6.720 1.00 1.33 H new ATOM 0 HG2 GLN A 11 3.065 2.631 6.428 1.00 1.29 H new ATOM 0 HG3 GLN A 11 4.649 1.923 6.675 1.00 1.29 H new ATOM 0 HE21 GLN A 11 5.402 1.613 8.765 1.00 2.29 H new ATOM 0 HE22 GLN A 11 4.585 2.220 10.209 1.00 2.29 H new ATOM 173 N ALA A 12 3.889 5.937 4.037 1.00 1.59 N ATOM 174 CA ALA A 12 3.686 7.113 3.187 1.00 1.54 C ATOM 175 C ALA A 12 3.284 8.388 3.953 1.00 1.55 C ATOM 176 O ALA A 12 2.793 8.331 5.083 1.00 2.28 O ATOM 177 CB ALA A 12 2.653 6.751 2.113 1.00 1.69 C ATOM 0 H ALA A 12 3.012 5.547 4.381 1.00 1.59 H new ATOM 0 HA ALA A 12 4.644 7.367 2.733 1.00 1.54 H new ATOM 0 HB1 ALA A 12 2.484 7.612 1.466 1.00 1.69 H new ATOM 0 HB2 ALA A 12 3.024 5.917 1.518 1.00 1.69 H new ATOM 0 HB3 ALA A 12 1.716 6.467 2.591 1.00 1.69 H new ATOM 183 N THR A 13 3.465 9.539 3.302 1.00 1.34 N ATOM 184 CA THR A 13 3.019 10.865 3.768 1.00 1.35 C ATOM 185 C THR A 13 1.616 11.237 3.277 1.00 1.09 C ATOM 186 O THR A 13 0.788 11.691 4.069 1.00 1.04 O ATOM 187 CB THR A 13 4.002 11.949 3.293 1.00 1.57 C ATOM 188 OG1 THR A 13 4.237 11.821 1.903 1.00 2.76 O ATOM 189 CG2 THR A 13 5.354 11.847 3.997 1.00 2.13 C ATOM 0 H THR A 13 3.943 9.581 2.402 1.00 1.34 H new ATOM 0 HA THR A 13 2.989 10.810 4.856 1.00 1.35 H new ATOM 0 HB THR A 13 3.543 12.909 3.530 1.00 1.57 H new ATOM 0 HG1 THR A 13 4.862 12.517 1.612 1.00 2.76 H new ATOM 0 HG21 THR A 13 6.015 12.632 3.630 1.00 2.13 H new ATOM 0 HG22 THR A 13 5.214 11.963 5.072 1.00 2.13 H new ATOM 0 HG23 THR A 13 5.798 10.873 3.792 1.00 2.13 H new ATOM 197 N GLU A 14 1.340 11.062 1.984 1.00 1.05 N ATOM 198 CA GLU A 14 0.088 11.455 1.321 1.00 0.92 C ATOM 199 C GLU A 14 -0.369 10.437 0.256 1.00 0.83 C ATOM 200 O GLU A 14 0.435 9.646 -0.246 1.00 1.03 O ATOM 201 CB GLU A 14 0.207 12.891 0.767 1.00 1.28 C ATOM 202 CG GLU A 14 1.277 13.083 -0.320 1.00 1.61 C ATOM 203 CD GLU A 14 1.418 14.541 -0.788 1.00 2.74 C ATOM 204 OE1 GLU A 14 0.636 15.429 -0.368 1.00 4.12 O ATOM 205 OE2 GLU A 14 2.345 14.822 -1.592 1.00 3.08 O ATOM 0 H GLU A 14 2.004 10.627 1.343 1.00 1.05 H new ATOM 0 HA GLU A 14 -0.704 11.451 2.070 1.00 0.92 H new ATOM 0 HB2 GLU A 14 -0.760 13.188 0.360 1.00 1.28 H new ATOM 0 HB3 GLU A 14 0.426 13.566 1.594 1.00 1.28 H new ATOM 0 HG2 GLU A 14 2.238 12.737 0.061 1.00 1.61 H new ATOM 0 HG3 GLU A 14 1.030 12.456 -1.177 1.00 1.61 H new ATOM 212 N ALA A 15 -1.666 10.435 -0.063 1.00 0.67 N ATOM 213 CA ALA A 15 -2.299 9.543 -1.041 1.00 0.69 C ATOM 214 C ALA A 15 -3.395 10.251 -1.864 1.00 0.59 C ATOM 215 O ALA A 15 -3.982 11.233 -1.407 1.00 0.78 O ATOM 216 CB ALA A 15 -2.860 8.328 -0.290 1.00 0.88 C ATOM 0 H ALA A 15 -2.330 11.078 0.368 1.00 0.67 H new ATOM 0 HA ALA A 15 -1.549 9.223 -1.765 1.00 0.69 H new ATOM 0 HB1 ALA A 15 -3.336 7.650 -0.999 1.00 0.88 H new ATOM 0 HB2 ALA A 15 -2.048 7.809 0.220 1.00 0.88 H new ATOM 0 HB3 ALA A 15 -3.595 8.661 0.443 1.00 0.88 H new ATOM 222 N THR A 16 -3.710 9.723 -3.054 1.00 0.63 N ATOM 223 CA THR A 16 -4.748 10.272 -3.950 1.00 0.54 C ATOM 224 C THR A 16 -6.060 9.480 -3.847 1.00 0.51 C ATOM 225 O THR A 16 -6.159 8.369 -4.374 1.00 0.57 O ATOM 226 CB THR A 16 -4.251 10.356 -5.405 1.00 0.65 C ATOM 227 OG1 THR A 16 -3.131 11.215 -5.498 1.00 0.87 O ATOM 228 CG2 THR A 16 -5.295 10.961 -6.346 1.00 0.64 C ATOM 0 H THR A 16 -3.249 8.894 -3.430 1.00 0.63 H new ATOM 0 HA THR A 16 -4.957 11.289 -3.619 1.00 0.54 H new ATOM 0 HB THR A 16 -4.020 9.330 -5.691 1.00 0.65 H new ATOM 0 HG1 THR A 16 -2.827 11.256 -6.429 1.00 0.87 H new ATOM 0 HG21 THR A 16 -4.894 10.997 -7.359 1.00 0.64 H new ATOM 0 HG22 THR A 16 -6.195 10.347 -6.334 1.00 0.64 H new ATOM 0 HG23 THR A 16 -5.540 11.971 -6.016 1.00 0.64 H new ATOM 236 N ILE A 17 -7.085 10.062 -3.211 1.00 0.49 N ATOM 237 CA ILE A 17 -8.461 9.537 -3.183 1.00 0.49 C ATOM 238 C ILE A 17 -9.143 9.891 -4.512 1.00 0.58 C ATOM 239 O ILE A 17 -8.944 10.992 -5.023 1.00 0.72 O ATOM 240 CB ILE A 17 -9.265 10.114 -1.984 1.00 0.48 C ATOM 241 CG1 ILE A 17 -8.573 9.839 -0.626 1.00 0.50 C ATOM 242 CG2 ILE A 17 -10.707 9.562 -1.981 1.00 0.56 C ATOM 243 CD1 ILE A 17 -9.309 10.377 0.611 1.00 0.56 C ATOM 0 H ILE A 17 -6.980 10.932 -2.689 1.00 0.49 H new ATOM 0 HA ILE A 17 -8.430 8.455 -3.055 1.00 0.49 H new ATOM 0 HB ILE A 17 -9.301 11.196 -2.112 1.00 0.48 H new ATOM 0 HG12 ILE A 17 -8.448 8.762 -0.513 1.00 0.50 H new ATOM 0 HG13 ILE A 17 -7.574 10.275 -0.652 1.00 0.50 H new ATOM 0 HG21 ILE A 17 -11.254 9.977 -1.134 1.00 0.56 H new ATOM 0 HG22 ILE A 17 -11.206 9.843 -2.908 1.00 0.56 H new ATOM 0 HG23 ILE A 17 -10.681 8.475 -1.898 1.00 0.56 H new ATOM 0 HD11 ILE A 17 -8.741 10.131 1.508 1.00 0.56 H new ATOM 0 HD12 ILE A 17 -9.411 11.459 0.531 1.00 0.56 H new ATOM 0 HD13 ILE A 17 -10.298 9.923 0.672 1.00 0.56 H new ATOM 255 N VAL A 18 -9.973 8.996 -5.059 1.00 0.57 N ATOM 256 CA VAL A 18 -10.773 9.279 -6.269 1.00 0.68 C ATOM 257 C VAL A 18 -12.275 9.053 -6.030 1.00 0.82 C ATOM 258 O VAL A 18 -12.694 8.055 -5.430 1.00 0.95 O ATOM 259 CB VAL A 18 -10.226 8.534 -7.505 1.00 0.93 C ATOM 260 CG1 VAL A 18 -10.930 8.967 -8.797 1.00 1.46 C ATOM 261 CG2 VAL A 18 -8.710 8.724 -7.667 1.00 2.02 C ATOM 0 H VAL A 18 -10.113 8.058 -4.682 1.00 0.57 H new ATOM 0 HA VAL A 18 -10.668 10.341 -6.493 1.00 0.68 H new ATOM 0 HB VAL A 18 -10.432 7.478 -7.330 1.00 0.93 H new ATOM 0 HG11 VAL A 18 -10.513 8.417 -9.641 1.00 1.46 H new ATOM 0 HG12 VAL A 18 -11.997 8.757 -8.718 1.00 1.46 H new ATOM 0 HG13 VAL A 18 -10.782 10.036 -8.952 1.00 1.46 H new ATOM 0 HG21 VAL A 18 -8.368 8.183 -8.549 1.00 2.02 H new ATOM 0 HG22 VAL A 18 -8.487 9.785 -7.783 1.00 2.02 H new ATOM 0 HG23 VAL A 18 -8.199 8.340 -6.784 1.00 2.02 H new ATOM 271 N THR A 19 -13.077 10.002 -6.514 1.00 0.93 N ATOM 272 CA THR A 19 -14.517 10.176 -6.268 1.00 1.15 C ATOM 273 C THR A 19 -15.286 10.324 -7.589 1.00 1.27 C ATOM 274 O THR A 19 -14.831 11.019 -8.500 1.00 1.23 O ATOM 275 CB THR A 19 -14.759 11.457 -5.437 1.00 1.33 C ATOM 276 OG1 THR A 19 -13.941 11.523 -4.285 1.00 1.44 O ATOM 277 CG2 THR A 19 -16.195 11.598 -4.935 1.00 1.66 C ATOM 0 H THR A 19 -12.714 10.725 -7.135 1.00 0.93 H new ATOM 0 HA THR A 19 -14.868 9.294 -5.732 1.00 1.15 H new ATOM 0 HB THR A 19 -14.521 12.256 -6.139 1.00 1.33 H new ATOM 0 HG1 THR A 19 -14.131 12.351 -3.796 1.00 1.44 H new ATOM 0 HG21 THR A 19 -16.291 12.519 -4.360 1.00 1.66 H new ATOM 0 HG22 THR A 19 -16.876 11.628 -5.785 1.00 1.66 H new ATOM 0 HG23 THR A 19 -16.444 10.747 -4.301 1.00 1.66 H new ATOM 391 N LEU A 27 -15.162 12.127 -13.053 1.00 1.73 N ATOM 392 CA LEU A 27 -14.096 11.773 -12.110 1.00 1.44 C ATOM 393 C LEU A 27 -13.496 13.030 -11.452 1.00 1.26 C ATOM 394 O LEU A 27 -13.230 14.036 -12.123 1.00 1.55 O ATOM 395 CB LEU A 27 -13.006 10.934 -12.810 1.00 1.69 C ATOM 396 CG LEU A 27 -13.301 9.429 -12.985 1.00 1.95 C ATOM 397 CD1 LEU A 27 -14.457 9.111 -13.938 1.00 2.42 C ATOM 398 CD2 LEU A 27 -12.051 8.740 -13.538 1.00 2.49 C ATOM 0 HA LEU A 27 -14.533 11.165 -11.318 1.00 1.44 H new ATOM 0 HB2 LEU A 27 -12.826 11.363 -13.796 1.00 1.69 H new ATOM 0 HB3 LEU A 27 -12.080 11.037 -12.244 1.00 1.69 H new ATOM 0 HG LEU A 27 -13.588 9.069 -11.997 1.00 1.95 H new ATOM 0 HD11 LEU A 27 -14.592 8.031 -13.999 1.00 2.42 H new ATOM 0 HD12 LEU A 27 -15.373 9.570 -13.565 1.00 2.42 H new ATOM 0 HD13 LEU A 27 -14.231 9.505 -14.929 1.00 2.42 H new ATOM 0 HD21 LEU A 27 -12.249 7.676 -13.666 1.00 2.49 H new ATOM 0 HD22 LEU A 27 -11.790 9.179 -14.501 1.00 2.49 H new ATOM 0 HD23 LEU A 27 -11.223 8.874 -12.842 1.00 2.49 H new ATOM 410 N SER A 28 -13.259 12.944 -10.142 1.00 1.07 N ATOM 411 CA SER A 28 -12.715 13.994 -9.269 1.00 0.98 C ATOM 412 C SER A 28 -11.729 13.370 -8.272 1.00 0.86 C ATOM 413 O SER A 28 -11.987 12.278 -7.768 1.00 1.05 O ATOM 414 CB SER A 28 -13.897 14.636 -8.534 1.00 1.10 C ATOM 415 OG SER A 28 -13.514 15.672 -7.649 1.00 1.34 O ATOM 0 H SER A 28 -13.453 12.086 -9.626 1.00 1.07 H new ATOM 0 HA SER A 28 -12.179 14.749 -9.844 1.00 0.98 H new ATOM 0 HB2 SER A 28 -14.597 15.035 -9.267 1.00 1.10 H new ATOM 0 HB3 SER A 28 -14.427 13.867 -7.973 1.00 1.10 H new ATOM 0 HG SER A 28 -14.310 16.041 -7.213 1.00 1.34 H new ATOM 421 N GLU A 29 -10.591 14.011 -7.986 1.00 0.86 N ATOM 422 CA GLU A 29 -9.529 13.436 -7.137 1.00 0.77 C ATOM 423 C GLU A 29 -9.146 14.370 -5.971 1.00 0.80 C ATOM 424 O GLU A 29 -9.243 15.592 -6.094 1.00 1.01 O ATOM 425 CB GLU A 29 -8.276 13.090 -7.961 1.00 0.94 C ATOM 426 CG GLU A 29 -8.544 12.303 -9.249 1.00 1.07 C ATOM 427 CD GLU A 29 -7.266 12.163 -10.085 1.00 1.79 C ATOM 428 OE1 GLU A 29 -6.845 13.157 -10.728 1.00 2.53 O ATOM 429 OE2 GLU A 29 -6.713 11.051 -10.230 1.00 2.84 O ATOM 0 H GLU A 29 -10.375 14.945 -8.335 1.00 0.86 H new ATOM 0 HA GLU A 29 -9.938 12.518 -6.715 1.00 0.77 H new ATOM 0 HB2 GLU A 29 -7.762 14.016 -8.219 1.00 0.94 H new ATOM 0 HB3 GLU A 29 -7.596 12.512 -7.335 1.00 0.94 H new ATOM 0 HG2 GLU A 29 -8.931 11.314 -9.001 1.00 1.07 H new ATOM 0 HG3 GLU A 29 -9.312 12.808 -9.835 1.00 1.07 H new ATOM 436 N GLU A 30 -8.677 13.816 -4.850 1.00 0.71 N ATOM 437 CA GLU A 30 -8.152 14.560 -3.692 1.00 0.75 C ATOM 438 C GLU A 30 -6.779 14.027 -3.265 1.00 0.69 C ATOM 439 O GLU A 30 -6.643 12.833 -3.010 1.00 0.69 O ATOM 440 CB GLU A 30 -9.101 14.481 -2.478 1.00 0.82 C ATOM 441 CG GLU A 30 -10.579 14.780 -2.754 1.00 0.96 C ATOM 442 CD GLU A 30 -10.834 16.166 -3.361 1.00 1.61 C ATOM 443 OE1 GLU A 30 -10.064 17.129 -3.126 1.00 2.80 O ATOM 444 OE2 GLU A 30 -11.804 16.330 -4.140 1.00 2.50 O ATOM 0 H GLU A 30 -8.649 12.805 -4.715 1.00 0.71 H new ATOM 0 HA GLU A 30 -8.065 15.598 -4.013 1.00 0.75 H new ATOM 0 HB2 GLU A 30 -9.028 13.481 -2.050 1.00 0.82 H new ATOM 0 HB3 GLU A 30 -8.746 15.179 -1.720 1.00 0.82 H new ATOM 0 HG2 GLU A 30 -10.972 14.021 -3.430 1.00 0.96 H new ATOM 0 HG3 GLU A 30 -11.136 14.695 -1.821 1.00 0.96 H new ATOM 451 N GLN A 31 -5.767 14.888 -3.116 1.00 0.75 N ATOM 452 CA GLN A 31 -4.468 14.531 -2.536 1.00 0.78 C ATOM 453 C GLN A 31 -4.475 14.837 -1.031 1.00 0.78 C ATOM 454 O GLN A 31 -4.441 16.009 -0.639 1.00 0.96 O ATOM 455 CB GLN A 31 -3.363 15.340 -3.227 1.00 0.94 C ATOM 456 CG GLN A 31 -3.149 14.968 -4.698 1.00 1.11 C ATOM 457 CD GLN A 31 -2.059 15.828 -5.312 1.00 1.60 C ATOM 458 OE1 GLN A 31 -2.307 16.772 -6.054 1.00 2.07 O ATOM 459 NE2 GLN A 31 -0.823 15.575 -4.960 1.00 2.13 N ATOM 0 H GLN A 31 -5.828 15.866 -3.399 1.00 0.75 H new ATOM 0 HA GLN A 31 -4.282 13.467 -2.683 1.00 0.78 H new ATOM 0 HB2 GLN A 31 -3.608 16.400 -3.162 1.00 0.94 H new ATOM 0 HB3 GLN A 31 -2.428 15.195 -2.686 1.00 0.94 H new ATOM 0 HG2 GLN A 31 -2.877 13.915 -4.777 1.00 1.11 H new ATOM 0 HG3 GLN A 31 -4.079 15.100 -5.251 1.00 1.11 H new ATOM 0 HE21 GLN A 31 -0.619 14.789 -4.343 1.00 2.13 H new ATOM 0 HE22 GLN A 31 -0.064 16.164 -5.303 1.00 2.13 H new ATOM 468 N VAL A 32 -4.509 13.812 -0.179 1.00 0.75 N ATOM 469 CA VAL A 32 -4.697 13.951 1.278 1.00 0.79 C ATOM 470 C VAL A 32 -3.508 13.410 2.069 1.00 0.84 C ATOM 471 O VAL A 32 -2.838 12.480 1.623 1.00 0.95 O ATOM 472 CB VAL A 32 -6.011 13.294 1.752 1.00 0.79 C ATOM 473 CG1 VAL A 32 -7.224 13.777 0.946 1.00 0.74 C ATOM 474 CG2 VAL A 32 -5.992 11.759 1.716 1.00 0.83 C ATOM 0 H VAL A 32 -4.406 12.843 -0.480 1.00 0.75 H new ATOM 0 HA VAL A 32 -4.764 15.021 1.477 1.00 0.79 H new ATOM 0 HB VAL A 32 -6.100 13.609 2.792 1.00 0.79 H new ATOM 0 HG11 VAL A 32 -8.125 13.287 1.316 1.00 0.74 H new ATOM 0 HG12 VAL A 32 -7.327 14.857 1.055 1.00 0.74 H new ATOM 0 HG13 VAL A 32 -7.083 13.531 -0.106 1.00 0.74 H new ATOM 0 HG21 VAL A 32 -6.951 11.375 2.064 1.00 0.83 H new ATOM 0 HG22 VAL A 32 -5.815 11.421 0.695 1.00 0.83 H new ATOM 0 HG23 VAL A 32 -5.197 11.390 2.364 1.00 0.83 H new ATOM 484 N ASP A 33 -3.295 13.913 3.287 1.00 0.87 N ATOM 485 CA ASP A 33 -2.300 13.337 4.203 1.00 0.91 C ATOM 486 C ASP A 33 -2.816 11.987 4.750 1.00 0.90 C ATOM 487 O ASP A 33 -4.021 11.787 4.911 1.00 0.89 O ATOM 488 CB ASP A 33 -1.993 14.301 5.362 1.00 1.00 C ATOM 489 CG ASP A 33 -1.270 15.595 4.969 1.00 2.04 C ATOM 490 OD1 ASP A 33 -0.454 15.624 4.016 1.00 2.85 O ATOM 491 OD2 ASP A 33 -1.446 16.613 5.685 1.00 3.21 O ATOM 0 H ASP A 33 -3.796 14.717 3.664 1.00 0.87 H new ATOM 0 HA ASP A 33 -1.375 13.172 3.651 1.00 0.91 H new ATOM 0 HB2 ASP A 33 -2.931 14.563 5.852 1.00 1.00 H new ATOM 0 HB3 ASP A 33 -1.385 13.775 6.098 1.00 1.00 H new ATOM 496 N VAL A 34 -1.915 11.040 5.033 1.00 0.92 N ATOM 497 CA VAL A 34 -2.256 9.629 5.337 1.00 0.86 C ATOM 498 C VAL A 34 -3.138 9.416 6.583 1.00 0.89 C ATOM 499 O VAL A 34 -3.785 8.378 6.722 1.00 0.89 O ATOM 500 CB VAL A 34 -0.968 8.785 5.385 1.00 0.90 C ATOM 501 CG1 VAL A 34 -0.153 9.061 6.653 1.00 1.08 C ATOM 502 CG2 VAL A 34 -1.228 7.277 5.249 1.00 0.87 C ATOM 0 H VAL A 34 -0.912 11.226 5.060 1.00 0.92 H new ATOM 0 HA VAL A 34 -2.892 9.287 4.520 1.00 0.86 H new ATOM 0 HB VAL A 34 -0.387 9.096 4.517 1.00 0.90 H new ATOM 0 HG11 VAL A 34 0.747 8.446 6.648 1.00 1.08 H new ATOM 0 HG12 VAL A 34 0.127 10.114 6.683 1.00 1.08 H new ATOM 0 HG13 VAL A 34 -0.753 8.820 7.531 1.00 1.08 H new ATOM 0 HG21 VAL A 34 -0.281 6.739 5.291 1.00 0.87 H new ATOM 0 HG22 VAL A 34 -1.871 6.944 6.064 1.00 0.87 H new ATOM 0 HG23 VAL A 34 -1.717 7.077 4.296 1.00 0.87 H new ATOM 512 N GLU A 35 -3.233 10.395 7.481 1.00 1.01 N ATOM 513 CA GLU A 35 -4.196 10.391 8.596 1.00 1.11 C ATOM 514 C GLU A 35 -5.664 10.602 8.155 1.00 1.08 C ATOM 515 O GLU A 35 -6.602 10.231 8.868 1.00 1.21 O ATOM 516 CB GLU A 35 -3.799 11.460 9.609 1.00 1.34 C ATOM 517 CG GLU A 35 -2.465 11.186 10.336 1.00 1.88 C ATOM 518 CD GLU A 35 -1.201 11.517 9.526 1.00 3.18 C ATOM 519 OE1 GLU A 35 -1.259 12.305 8.554 1.00 4.26 O ATOM 520 OE2 GLU A 35 -0.082 11.090 9.906 1.00 4.14 O ATOM 0 H GLU A 35 -2.640 11.225 7.460 1.00 1.01 H new ATOM 0 HA GLU A 35 -4.155 9.398 9.043 1.00 1.11 H new ATOM 0 HB2 GLU A 35 -3.729 12.420 9.097 1.00 1.34 H new ATOM 0 HB3 GLU A 35 -4.591 11.551 10.352 1.00 1.34 H new ATOM 0 HG2 GLU A 35 -2.447 11.764 11.260 1.00 1.88 H new ATOM 0 HG3 GLU A 35 -2.432 10.134 10.618 1.00 1.88 H new ATOM 527 N LEU A 36 -5.881 11.168 6.967 1.00 0.97 N ATOM 528 CA LEU A 36 -7.175 11.663 6.478 1.00 0.96 C ATOM 529 C LEU A 36 -7.912 10.682 5.548 1.00 0.87 C ATOM 530 O LEU A 36 -9.047 10.945 5.141 1.00 0.90 O ATOM 531 CB LEU A 36 -6.941 13.028 5.810 1.00 0.99 C ATOM 532 CG LEU A 36 -6.107 14.020 6.648 1.00 1.13 C ATOM 533 CD1 LEU A 36 -5.841 15.276 5.834 1.00 1.16 C ATOM 534 CD2 LEU A 36 -6.797 14.418 7.953 1.00 1.23 C ATOM 0 H LEU A 36 -5.131 11.301 6.289 1.00 0.97 H new ATOM 0 HA LEU A 36 -7.845 11.767 7.331 1.00 0.96 H new ATOM 0 HB2 LEU A 36 -6.440 12.869 4.855 1.00 0.99 H new ATOM 0 HB3 LEU A 36 -7.908 13.481 5.591 1.00 0.99 H new ATOM 0 HG LEU A 36 -5.176 13.514 6.904 1.00 1.13 H new ATOM 0 HD11 LEU A 36 -5.252 15.976 6.427 1.00 1.16 H new ATOM 0 HD12 LEU A 36 -5.291 15.014 4.930 1.00 1.16 H new ATOM 0 HD13 LEU A 36 -6.789 15.740 5.561 1.00 1.16 H new ATOM 0 HD21 LEU A 36 -6.164 15.117 8.501 1.00 1.23 H new ATOM 0 HD22 LEU A 36 -7.753 14.892 7.729 1.00 1.23 H new ATOM 0 HD23 LEU A 36 -6.967 13.529 8.561 1.00 1.23 H new ATOM 546 N VAL A 37 -7.288 9.547 5.226 1.00 0.82 N ATOM 547 CA VAL A 37 -7.900 8.394 4.544 1.00 0.82 C ATOM 548 C VAL A 37 -8.501 7.431 5.579 1.00 0.95 C ATOM 549 O VAL A 37 -7.903 7.192 6.631 1.00 1.54 O ATOM 550 CB VAL A 37 -6.900 7.720 3.574 1.00 0.82 C ATOM 551 CG1 VAL A 37 -5.531 7.421 4.194 1.00 0.94 C ATOM 552 CG2 VAL A 37 -7.443 6.416 2.984 1.00 1.04 C ATOM 0 H VAL A 37 -6.302 9.395 5.440 1.00 0.82 H new ATOM 0 HA VAL A 37 -8.723 8.737 3.918 1.00 0.82 H new ATOM 0 HB VAL A 37 -6.769 8.464 2.788 1.00 0.82 H new ATOM 0 HG11 VAL A 37 -4.890 6.949 3.449 1.00 0.94 H new ATOM 0 HG12 VAL A 37 -5.073 8.351 4.531 1.00 0.94 H new ATOM 0 HG13 VAL A 37 -5.655 6.749 5.044 1.00 0.94 H new ATOM 0 HG21 VAL A 37 -6.702 5.985 2.311 1.00 1.04 H new ATOM 0 HG22 VAL A 37 -7.654 5.713 3.789 1.00 1.04 H new ATOM 0 HG23 VAL A 37 -8.360 6.621 2.431 1.00 1.04 H new ATOM 562 N GLN A 38 -9.683 6.882 5.289 1.00 0.84 N ATOM 563 CA GLN A 38 -10.400 5.926 6.148 1.00 0.86 C ATOM 564 C GLN A 38 -10.385 4.516 5.541 1.00 0.80 C ATOM 565 O GLN A 38 -10.173 4.360 4.334 1.00 0.87 O ATOM 566 CB GLN A 38 -11.830 6.444 6.401 1.00 1.11 C ATOM 567 CG GLN A 38 -12.814 6.170 5.257 1.00 2.93 C ATOM 568 CD GLN A 38 -14.057 6.993 5.423 1.00 3.07 C ATOM 569 OE1 GLN A 38 -14.157 8.119 4.951 1.00 3.85 O ATOM 570 NE2 GLN A 38 -15.022 6.474 6.123 1.00 3.12 N ATOM 0 H GLN A 38 -10.185 7.094 4.427 1.00 0.84 H new ATOM 0 HA GLN A 38 -9.892 5.847 7.109 1.00 0.86 H new ATOM 0 HB2 GLN A 38 -12.214 5.985 7.312 1.00 1.11 H new ATOM 0 HB3 GLN A 38 -11.788 7.519 6.579 1.00 1.11 H new ATOM 0 HG2 GLN A 38 -12.343 6.401 4.302 1.00 2.93 H new ATOM 0 HG3 GLN A 38 -13.072 5.111 5.237 1.00 2.93 H new ATOM 0 HE21 GLN A 38 -14.924 5.535 6.509 1.00 3.12 H new ATOM 0 HE22 GLN A 38 -15.877 7.006 6.286 1.00 3.12 H new ATOM 579 N ARG A 39 -10.710 3.486 6.338 1.00 0.81 N ATOM 580 CA ARG A 39 -10.855 2.076 5.896 1.00 0.91 C ATOM 581 C ARG A 39 -12.098 1.798 5.013 1.00 1.04 C ATOM 582 O ARG A 39 -12.751 0.763 5.131 1.00 1.89 O ATOM 583 CB ARG A 39 -10.710 1.152 7.122 1.00 0.98 C ATOM 584 CG ARG A 39 -11.943 1.131 8.038 1.00 1.01 C ATOM 585 CD ARG A 39 -11.588 0.765 9.486 1.00 1.19 C ATOM 586 NE ARG A 39 -12.767 0.776 10.372 1.00 1.31 N ATOM 587 CZ ARG A 39 -13.705 -0.146 10.499 1.00 1.90 C ATOM 588 NH1 ARG A 39 -13.695 -1.270 9.851 1.00 2.85 N ATOM 589 NH2 ARG A 39 -14.694 0.081 11.310 1.00 2.03 N ATOM 0 H ARG A 39 -10.885 3.606 7.336 1.00 0.81 H new ATOM 0 HA ARG A 39 -10.045 1.849 5.202 1.00 0.91 H new ATOM 0 HB2 ARG A 39 -10.509 0.138 6.778 1.00 0.98 H new ATOM 0 HB3 ARG A 39 -9.844 1.469 7.703 1.00 0.98 H new ATOM 0 HG2 ARG A 39 -12.423 2.110 8.020 1.00 1.01 H new ATOM 0 HG3 ARG A 39 -12.667 0.414 7.652 1.00 1.01 H new ATOM 0 HD2 ARG A 39 -11.130 -0.224 9.506 1.00 1.19 H new ATOM 0 HD3 ARG A 39 -10.846 1.468 9.864 1.00 1.19 H new ATOM 0 HE ARG A 39 -12.872 1.601 10.962 1.00 1.31 H new ATOM 0 HH11 ARG A 39 -12.935 -1.479 9.203 1.00 2.85 H new ATOM 0 HH12 ARG A 39 -14.447 -1.945 9.989 1.00 2.85 H new ATOM 0 HH21 ARG A 39 -14.735 0.956 11.832 1.00 2.03 H new ATOM 0 HH22 ARG A 39 -15.430 -0.616 11.425 1.00 2.03 H new ATOM 603 N GLY A 40 -12.426 2.753 4.146 1.00 0.87 N ATOM 604 CA GLY A 40 -13.595 2.803 3.264 1.00 0.85 C ATOM 605 C GLY A 40 -13.453 3.770 2.074 1.00 0.79 C ATOM 606 O GLY A 40 -14.451 4.075 1.422 1.00 0.87 O ATOM 0 H GLY A 40 -11.837 3.578 4.031 1.00 0.87 H new ATOM 0 HA2 GLY A 40 -13.789 1.801 2.881 1.00 0.85 H new ATOM 0 HA3 GLY A 40 -14.466 3.094 3.851 1.00 0.85 H new ATOM 610 N ASP A 41 -12.255 4.300 1.784 1.00 0.79 N ATOM 611 CA ASP A 41 -11.970 5.110 0.581 1.00 0.79 C ATOM 612 C ASP A 41 -11.334 4.276 -0.558 1.00 0.61 C ATOM 613 O ASP A 41 -10.852 3.158 -0.328 1.00 0.57 O ATOM 614 CB ASP A 41 -11.059 6.296 0.954 1.00 0.97 C ATOM 615 CG ASP A 41 -11.725 7.348 1.848 1.00 1.34 C ATOM 616 OD1 ASP A 41 -12.905 7.708 1.607 1.00 1.81 O ATOM 617 OD2 ASP A 41 -11.073 7.863 2.786 1.00 2.33 O ATOM 0 H ASP A 41 -11.441 4.178 2.386 1.00 0.79 H new ATOM 0 HA ASP A 41 -12.922 5.483 0.204 1.00 0.79 H new ATOM 0 HB2 ASP A 41 -10.174 5.913 1.462 1.00 0.97 H new ATOM 0 HB3 ASP A 41 -10.718 6.778 0.038 1.00 0.97 H new ATOM 622 N ILE A 42 -11.314 4.830 -1.780 1.00 0.60 N ATOM 623 CA ILE A 42 -10.687 4.247 -2.983 1.00 0.54 C ATOM 624 C ILE A 42 -9.484 5.098 -3.430 1.00 0.53 C ATOM 625 O ILE A 42 -9.643 6.290 -3.704 1.00 0.57 O ATOM 626 CB ILE A 42 -11.710 4.118 -4.132 1.00 0.68 C ATOM 627 CG1 ILE A 42 -12.999 3.368 -3.729 1.00 0.88 C ATOM 628 CG2 ILE A 42 -11.057 3.444 -5.353 1.00 0.67 C ATOM 629 CD1 ILE A 42 -12.821 1.942 -3.194 1.00 1.55 C ATOM 0 H ILE A 42 -11.751 5.732 -1.968 1.00 0.60 H new ATOM 0 HA ILE A 42 -10.333 3.248 -2.729 1.00 0.54 H new ATOM 0 HB ILE A 42 -12.015 5.133 -4.388 1.00 0.68 H new ATOM 0 HG12 ILE A 42 -13.513 3.956 -2.969 1.00 0.88 H new ATOM 0 HG13 ILE A 42 -13.656 3.327 -4.598 1.00 0.88 H new ATOM 0 HG21 ILE A 42 -11.789 3.359 -6.156 1.00 0.67 H new ATOM 0 HG22 ILE A 42 -10.214 4.045 -5.693 1.00 0.67 H new ATOM 0 HG23 ILE A 42 -10.706 2.450 -5.075 1.00 0.67 H new ATOM 0 HD11 ILE A 42 -13.796 1.522 -2.946 1.00 1.55 H new ATOM 0 HD12 ILE A 42 -12.343 1.325 -3.955 1.00 1.55 H new ATOM 0 HD13 ILE A 42 -12.197 1.964 -2.300 1.00 1.55 H new ATOM 641 N ILE A 43 -8.293 4.497 -3.529 1.00 0.53 N ATOM 642 CA ILE A 43 -7.011 5.191 -3.751 1.00 0.57 C ATOM 643 C ILE A 43 -6.366 4.803 -5.090 1.00 0.63 C ATOM 644 O ILE A 43 -6.161 3.618 -5.350 1.00 0.77 O ATOM 645 CB ILE A 43 -6.036 4.856 -2.590 1.00 0.62 C ATOM 646 CG1 ILE A 43 -6.632 5.066 -1.177 1.00 0.65 C ATOM 647 CG2 ILE A 43 -4.709 5.629 -2.719 1.00 0.68 C ATOM 648 CD1 ILE A 43 -7.129 6.486 -0.895 1.00 0.70 C ATOM 0 H ILE A 43 -8.187 3.485 -3.455 1.00 0.53 H new ATOM 0 HA ILE A 43 -7.214 6.261 -3.781 1.00 0.57 H new ATOM 0 HB ILE A 43 -5.846 3.788 -2.692 1.00 0.62 H new ATOM 0 HG12 ILE A 43 -7.461 4.372 -1.041 1.00 0.65 H new ATOM 0 HG13 ILE A 43 -5.875 4.807 -0.437 1.00 0.65 H new ATOM 0 HG21 ILE A 43 -4.053 5.368 -1.888 1.00 0.68 H new ATOM 0 HG22 ILE A 43 -4.225 5.366 -3.660 1.00 0.68 H new ATOM 0 HG23 ILE A 43 -4.909 6.700 -2.700 1.00 0.68 H new ATOM 0 HD11 ILE A 43 -7.529 6.537 0.118 1.00 0.70 H new ATOM 0 HD12 ILE A 43 -6.301 7.188 -0.994 1.00 0.70 H new ATOM 0 HD13 ILE A 43 -7.912 6.746 -1.608 1.00 0.70 H new ATOM 660 N LYS A 44 -5.981 5.780 -5.920 1.00 0.64 N ATOM 661 CA LYS A 44 -5.228 5.564 -7.174 1.00 0.69 C ATOM 662 C LYS A 44 -3.707 5.500 -6.956 1.00 0.73 C ATOM 663 O LYS A 44 -3.164 6.294 -6.185 1.00 0.93 O ATOM 664 CB LYS A 44 -5.641 6.631 -8.192 1.00 0.84 C ATOM 665 CG LYS A 44 -4.997 6.364 -9.559 1.00 1.78 C ATOM 666 CD LYS A 44 -5.635 7.204 -10.664 1.00 2.06 C ATOM 667 CE LYS A 44 -6.989 6.634 -11.098 1.00 1.63 C ATOM 668 NZ LYS A 44 -7.546 7.346 -12.269 1.00 1.78 N ATOM 0 H LYS A 44 -6.185 6.763 -5.741 1.00 0.64 H new ATOM 0 HA LYS A 44 -5.485 4.583 -7.572 1.00 0.69 H new ATOM 0 HB2 LYS A 44 -6.726 6.642 -8.293 1.00 0.84 H new ATOM 0 HB3 LYS A 44 -5.344 7.616 -7.832 1.00 0.84 H new ATOM 0 HG2 LYS A 44 -3.931 6.583 -9.507 1.00 1.78 H new ATOM 0 HG3 LYS A 44 -5.094 5.307 -9.805 1.00 1.78 H new ATOM 0 HD2 LYS A 44 -5.767 8.228 -10.313 1.00 2.06 H new ATOM 0 HD3 LYS A 44 -4.965 7.245 -11.523 1.00 2.06 H new ATOM 0 HE2 LYS A 44 -6.876 5.577 -11.338 1.00 1.63 H new ATOM 0 HE3 LYS A 44 -7.692 6.699 -10.267 1.00 1.63 H new ATOM 0 HZ1 LYS A 44 -8.462 6.926 -12.527 1.00 1.78 H new ATOM 0 HZ2 LYS A 44 -7.679 8.350 -12.034 1.00 1.78 H new ATOM 0 HZ3 LYS A 44 -6.889 7.263 -13.071 1.00 1.78 H new ATOM 682 N VAL A 45 -3.016 4.592 -7.658 1.00 0.63 N ATOM 683 CA VAL A 45 -1.541 4.469 -7.653 1.00 0.63 C ATOM 684 C VAL A 45 -0.946 4.572 -9.069 1.00 0.64 C ATOM 685 O VAL A 45 -1.486 3.997 -10.021 1.00 0.66 O ATOM 686 CB VAL A 45 -1.111 3.188 -6.902 1.00 0.62 C ATOM 687 CG1 VAL A 45 -1.456 1.898 -7.650 1.00 0.60 C ATOM 688 CG2 VAL A 45 0.387 3.160 -6.572 1.00 0.65 C ATOM 0 H VAL A 45 -3.471 3.905 -8.260 1.00 0.63 H new ATOM 0 HA VAL A 45 -1.127 5.316 -7.107 1.00 0.63 H new ATOM 0 HB VAL A 45 -1.687 3.228 -5.977 1.00 0.62 H new ATOM 0 HG11 VAL A 45 -1.126 1.039 -7.066 1.00 0.60 H new ATOM 0 HG12 VAL A 45 -2.534 1.842 -7.800 1.00 0.60 H new ATOM 0 HG13 VAL A 45 -0.954 1.893 -8.618 1.00 0.60 H new ATOM 0 HG21 VAL A 45 0.626 2.236 -6.045 1.00 0.65 H new ATOM 0 HG22 VAL A 45 0.964 3.211 -7.495 1.00 0.65 H new ATOM 0 HG23 VAL A 45 0.636 4.013 -5.941 1.00 0.65 H new ATOM 698 N VAL A 46 0.151 5.320 -9.227 1.00 0.67 N ATOM 699 CA VAL A 46 0.764 5.652 -10.537 1.00 0.67 C ATOM 700 C VAL A 46 1.903 4.697 -10.952 1.00 0.64 C ATOM 701 O VAL A 46 2.481 4.018 -10.096 1.00 0.68 O ATOM 702 CB VAL A 46 1.246 7.122 -10.570 1.00 0.78 C ATOM 703 CG1 VAL A 46 0.099 8.089 -10.258 1.00 0.90 C ATOM 704 CG2 VAL A 46 2.429 7.406 -9.637 1.00 0.87 C ATOM 0 H VAL A 46 0.655 5.724 -8.438 1.00 0.67 H new ATOM 0 HA VAL A 46 -0.028 5.518 -11.274 1.00 0.67 H new ATOM 0 HB VAL A 46 1.598 7.285 -11.588 1.00 0.78 H new ATOM 0 HG11 VAL A 46 0.469 9.114 -10.289 1.00 0.90 H new ATOM 0 HG12 VAL A 46 -0.692 7.966 -10.998 1.00 0.90 H new ATOM 0 HG13 VAL A 46 -0.297 7.876 -9.265 1.00 0.90 H new ATOM 0 HG21 VAL A 46 2.710 8.456 -9.715 1.00 0.87 H new ATOM 0 HG22 VAL A 46 2.144 7.182 -8.609 1.00 0.87 H new ATOM 0 HG23 VAL A 46 3.276 6.782 -9.923 1.00 0.87 H new ATOM 714 N PRO A 47 2.287 4.626 -12.246 1.00 0.68 N ATOM 715 CA PRO A 47 3.501 3.925 -12.671 1.00 0.75 C ATOM 716 C PRO A 47 4.760 4.530 -12.021 1.00 0.79 C ATOM 717 O PRO A 47 5.042 5.726 -12.136 1.00 0.99 O ATOM 718 CB PRO A 47 3.536 4.022 -14.201 1.00 0.86 C ATOM 719 CG PRO A 47 2.669 5.243 -14.510 1.00 1.17 C ATOM 720 CD PRO A 47 1.609 5.177 -13.414 1.00 0.74 C ATOM 0 HA PRO A 47 3.488 2.883 -12.352 1.00 0.75 H new ATOM 0 HB2 PRO A 47 4.553 4.150 -14.570 1.00 0.86 H new ATOM 0 HB3 PRO A 47 3.139 3.121 -14.668 1.00 0.86 H new ATOM 0 HG2 PRO A 47 3.242 6.169 -14.466 1.00 1.17 H new ATOM 0 HG3 PRO A 47 2.228 5.187 -15.505 1.00 1.17 H new ATOM 0 HD2 PRO A 47 1.203 6.166 -13.201 1.00 0.74 H new ATOM 0 HD3 PRO A 47 0.772 4.547 -13.715 1.00 0.74 H new ATOM 728 N GLY A 48 5.512 3.678 -11.326 1.00 0.71 N ATOM 729 CA GLY A 48 6.692 4.008 -10.524 1.00 0.79 C ATOM 730 C GLY A 48 6.399 4.487 -9.093 1.00 0.84 C ATOM 731 O GLY A 48 7.350 4.766 -8.356 1.00 1.08 O ATOM 0 H GLY A 48 5.303 2.680 -11.306 1.00 0.71 H new ATOM 0 HA2 GLY A 48 7.333 3.128 -10.471 1.00 0.79 H new ATOM 0 HA3 GLY A 48 7.257 4.784 -11.041 1.00 0.79 H new ATOM 735 N GLY A 49 5.127 4.617 -8.694 1.00 0.75 N ATOM 736 CA GLY A 49 4.708 4.990 -7.336 1.00 0.82 C ATOM 737 C GLY A 49 4.743 3.831 -6.330 1.00 0.81 C ATOM 738 O GLY A 49 4.936 2.668 -6.702 1.00 1.08 O ATOM 0 H GLY A 49 4.340 4.462 -9.324 1.00 0.75 H new ATOM 0 HA2 GLY A 49 5.354 5.790 -6.975 1.00 0.82 H new ATOM 0 HA3 GLY A 49 3.695 5.391 -7.377 1.00 0.82 H new ATOM 742 N LYS A 50 4.538 4.146 -5.045 1.00 0.77 N ATOM 743 CA LYS A 50 4.484 3.177 -3.933 1.00 0.75 C ATOM 744 C LYS A 50 3.075 3.051 -3.341 1.00 0.80 C ATOM 745 O LYS A 50 2.291 4.002 -3.350 1.00 1.05 O ATOM 746 CB LYS A 50 5.503 3.547 -2.838 1.00 0.82 C ATOM 747 CG LYS A 50 6.960 3.593 -3.330 1.00 0.87 C ATOM 748 CD LYS A 50 7.923 3.758 -2.145 1.00 1.26 C ATOM 749 CE LYS A 50 9.383 3.840 -2.606 1.00 1.34 C ATOM 750 NZ LYS A 50 10.313 3.747 -1.456 1.00 2.41 N ATOM 0 H LYS A 50 4.401 5.109 -4.737 1.00 0.77 H new ATOM 0 HA LYS A 50 4.748 2.203 -4.344 1.00 0.75 H new ATOM 0 HB2 LYS A 50 5.239 4.520 -2.424 1.00 0.82 H new ATOM 0 HB3 LYS A 50 5.427 2.824 -2.026 1.00 0.82 H new ATOM 0 HG2 LYS A 50 7.196 2.678 -3.873 1.00 0.87 H new ATOM 0 HG3 LYS A 50 7.088 4.420 -4.028 1.00 0.87 H new ATOM 0 HD2 LYS A 50 7.666 4.660 -1.590 1.00 1.26 H new ATOM 0 HD3 LYS A 50 7.804 2.918 -1.460 1.00 1.26 H new ATOM 0 HE2 LYS A 50 9.590 3.035 -3.311 1.00 1.34 H new ATOM 0 HE3 LYS A 50 9.548 4.778 -3.136 1.00 1.34 H new ATOM 0 HZ1 LYS A 50 11.294 3.805 -1.797 1.00 2.41 H new ATOM 0 HZ2 LYS A 50 10.129 4.530 -0.796 1.00 2.41 H new ATOM 0 HZ3 LYS A 50 10.170 2.841 -0.966 1.00 2.41 H new ATOM 764 N PHE A 51 2.762 1.885 -2.773 1.00 0.75 N ATOM 765 CA PHE A 51 1.493 1.653 -2.062 1.00 0.75 C ATOM 766 C PHE A 51 1.502 2.301 -0.651 1.00 0.76 C ATOM 767 O PHE A 51 2.467 2.089 0.092 1.00 0.82 O ATOM 768 CB PHE A 51 1.198 0.146 -1.994 1.00 0.73 C ATOM 769 CG PHE A 51 0.824 -0.475 -3.331 1.00 0.65 C ATOM 770 CD1 PHE A 51 1.819 -0.999 -4.174 1.00 2.30 C ATOM 771 CD2 PHE A 51 -0.523 -0.533 -3.738 1.00 1.77 C ATOM 772 CE1 PHE A 51 1.483 -1.567 -5.412 1.00 2.25 C ATOM 773 CE2 PHE A 51 -0.864 -1.110 -4.978 1.00 1.83 C ATOM 774 CZ PHE A 51 0.141 -1.623 -5.817 1.00 0.65 C ATOM 0 H PHE A 51 3.378 1.072 -2.790 1.00 0.75 H new ATOM 0 HA PHE A 51 0.691 2.135 -2.621 1.00 0.75 H new ATOM 0 HB2 PHE A 51 2.075 -0.367 -1.600 1.00 0.73 H new ATOM 0 HB3 PHE A 51 0.385 -0.023 -1.287 1.00 0.73 H new ATOM 0 HD1 PHE A 51 2.853 -0.964 -3.865 1.00 2.30 H new ATOM 0 HD2 PHE A 51 -1.297 -0.134 -3.098 1.00 1.77 H new ATOM 0 HE1 PHE A 51 2.257 -1.961 -6.053 1.00 2.25 H new ATOM 0 HE2 PHE A 51 -1.899 -1.158 -5.284 1.00 1.83 H new ATOM 0 HZ PHE A 51 -0.119 -2.059 -6.770 1.00 0.65 H new ATOM 784 N PRO A 52 0.458 3.060 -0.240 1.00 0.74 N ATOM 785 CA PRO A 52 0.454 3.810 1.028 1.00 0.72 C ATOM 786 C PRO A 52 -0.226 3.106 2.223 1.00 0.67 C ATOM 787 O PRO A 52 -0.001 3.500 3.366 1.00 0.68 O ATOM 788 CB PRO A 52 -0.258 5.121 0.682 1.00 0.80 C ATOM 789 CG PRO A 52 -1.300 4.692 -0.349 1.00 0.80 C ATOM 790 CD PRO A 52 -0.598 3.569 -1.112 1.00 0.77 C ATOM 0 HA PRO A 52 1.477 3.933 1.383 1.00 0.72 H new ATOM 0 HB2 PRO A 52 -0.722 5.571 1.560 1.00 0.80 H new ATOM 0 HB3 PRO A 52 0.433 5.858 0.273 1.00 0.80 H new ATOM 0 HG2 PRO A 52 -2.217 4.343 0.127 1.00 0.80 H new ATOM 0 HG3 PRO A 52 -1.576 5.515 -1.008 1.00 0.80 H new ATOM 0 HD2 PRO A 52 -1.302 2.777 -1.369 1.00 0.77 H new ATOM 0 HD3 PRO A 52 -0.181 3.940 -2.048 1.00 0.77 H new ATOM 798 N VAL A 53 -1.046 2.077 1.986 1.00 0.64 N ATOM 799 CA VAL A 53 -1.756 1.249 2.992 1.00 0.64 C ATOM 800 C VAL A 53 -1.909 -0.181 2.445 1.00 0.66 C ATOM 801 O VAL A 53 -1.583 -0.416 1.281 1.00 0.73 O ATOM 802 CB VAL A 53 -3.132 1.832 3.401 1.00 0.68 C ATOM 803 CG1 VAL A 53 -2.999 2.959 4.432 1.00 0.73 C ATOM 804 CG2 VAL A 53 -3.947 2.355 2.215 1.00 0.75 C ATOM 0 H VAL A 53 -1.250 1.774 1.034 1.00 0.64 H new ATOM 0 HA VAL A 53 -1.155 1.243 3.901 1.00 0.64 H new ATOM 0 HB VAL A 53 -3.665 0.989 3.842 1.00 0.68 H new ATOM 0 HG11 VAL A 53 -3.989 3.336 4.688 1.00 0.73 H new ATOM 0 HG12 VAL A 53 -2.513 2.576 5.329 1.00 0.73 H new ATOM 0 HG13 VAL A 53 -2.400 3.767 4.012 1.00 0.73 H new ATOM 0 HG21 VAL A 53 -4.898 2.749 2.573 1.00 0.75 H new ATOM 0 HG22 VAL A 53 -3.392 3.148 1.713 1.00 0.75 H new ATOM 0 HG23 VAL A 53 -4.132 1.541 1.514 1.00 0.75 H new ATOM 814 N ASP A 54 -2.360 -1.143 3.262 1.00 0.67 N ATOM 815 CA ASP A 54 -2.593 -2.531 2.816 1.00 0.74 C ATOM 816 C ASP A 54 -4.085 -2.838 2.587 1.00 0.82 C ATOM 817 O ASP A 54 -4.944 -2.395 3.356 1.00 1.01 O ATOM 818 CB ASP A 54 -1.827 -3.555 3.680 1.00 0.92 C ATOM 819 CG ASP A 54 -2.605 -4.292 4.775 1.00 1.10 C ATOM 820 OD1 ASP A 54 -3.338 -5.247 4.423 1.00 1.85 O ATOM 821 OD2 ASP A 54 -2.356 -4.040 5.977 1.00 1.90 O ATOM 0 H ASP A 54 -2.574 -0.986 4.247 1.00 0.67 H new ATOM 0 HA ASP A 54 -2.155 -2.639 1.823 1.00 0.74 H new ATOM 0 HB2 ASP A 54 -1.399 -4.303 3.012 1.00 0.92 H new ATOM 0 HB3 ASP A 54 -0.993 -3.036 4.153 1.00 0.92 H new ATOM 826 N GLY A 55 -4.390 -3.544 1.494 1.00 0.73 N ATOM 827 CA GLY A 55 -5.773 -3.767 1.051 1.00 0.80 C ATOM 828 C GLY A 55 -5.903 -4.544 -0.263 1.00 0.69 C ATOM 829 O GLY A 55 -4.993 -5.282 -0.645 1.00 0.69 O ATOM 0 H GLY A 55 -3.689 -3.976 0.892 1.00 0.73 H new ATOM 0 HA2 GLY A 55 -6.308 -4.307 1.832 1.00 0.80 H new ATOM 0 HA3 GLY A 55 -6.265 -2.801 0.937 1.00 0.80 H new ATOM 833 N ARG A 56 -7.032 -4.374 -0.964 1.00 0.66 N ATOM 834 CA ARG A 56 -7.364 -5.097 -2.213 1.00 0.63 C ATOM 835 C ARG A 56 -7.448 -4.171 -3.437 1.00 0.61 C ATOM 836 O ARG A 56 -7.966 -3.061 -3.358 1.00 0.67 O ATOM 837 CB ARG A 56 -8.632 -5.949 -1.984 1.00 0.71 C ATOM 838 CG ARG A 56 -8.830 -7.041 -3.052 1.00 0.75 C ATOM 839 CD ARG A 56 -9.982 -8.003 -2.729 1.00 0.86 C ATOM 840 NE ARG A 56 -11.299 -7.340 -2.753 1.00 1.62 N ATOM 841 CZ ARG A 56 -12.332 -7.576 -3.540 1.00 2.77 C ATOM 842 NH1 ARG A 56 -12.381 -8.546 -4.408 1.00 3.53 N ATOM 843 NH2 ARG A 56 -13.363 -6.793 -3.447 1.00 3.85 N ATOM 0 H ARG A 56 -7.759 -3.718 -0.678 1.00 0.66 H new ATOM 0 HA ARG A 56 -6.546 -5.774 -2.458 1.00 0.63 H new ATOM 0 HB2 ARG A 56 -8.575 -6.417 -1.001 1.00 0.71 H new ATOM 0 HB3 ARG A 56 -9.504 -5.296 -1.976 1.00 0.71 H new ATOM 0 HG2 ARG A 56 -9.020 -6.567 -4.015 1.00 0.75 H new ATOM 0 HG3 ARG A 56 -7.907 -7.612 -3.154 1.00 0.75 H new ATOM 0 HD2 ARG A 56 -9.979 -8.822 -3.448 1.00 0.86 H new ATOM 0 HD3 ARG A 56 -9.818 -8.442 -1.745 1.00 0.86 H new ATOM 0 HE ARG A 56 -11.430 -6.597 -2.067 1.00 1.62 H new ATOM 0 HH11 ARG A 56 -11.588 -9.180 -4.510 1.00 3.53 H new ATOM 0 HH12 ARG A 56 -13.212 -8.672 -4.986 1.00 3.53 H new ATOM 0 HH21 ARG A 56 -13.359 -6.022 -2.780 1.00 3.85 H new ATOM 0 HH22 ARG A 56 -14.177 -6.949 -4.041 1.00 3.85 H new ATOM 857 N VAL A 57 -6.944 -4.633 -4.579 1.00 0.59 N ATOM 858 CA VAL A 57 -7.015 -3.983 -5.899 1.00 0.56 C ATOM 859 C VAL A 57 -8.292 -4.426 -6.601 1.00 0.60 C ATOM 860 O VAL A 57 -8.579 -5.624 -6.658 1.00 0.64 O ATOM 861 CB VAL A 57 -5.789 -4.359 -6.759 1.00 0.54 C ATOM 862 CG1 VAL A 57 -5.889 -3.866 -8.210 1.00 0.56 C ATOM 863 CG2 VAL A 57 -4.507 -3.769 -6.166 1.00 0.73 C ATOM 0 H VAL A 57 -6.445 -5.522 -4.617 1.00 0.59 H new ATOM 0 HA VAL A 57 -7.019 -2.901 -5.764 1.00 0.56 H new ATOM 0 HB VAL A 57 -5.764 -5.449 -6.758 1.00 0.54 H new ATOM 0 HG11 VAL A 57 -4.995 -4.164 -8.758 1.00 0.56 H new ATOM 0 HG12 VAL A 57 -6.768 -4.304 -8.683 1.00 0.56 H new ATOM 0 HG13 VAL A 57 -5.975 -2.779 -8.220 1.00 0.56 H new ATOM 0 HG21 VAL A 57 -3.657 -4.047 -6.789 1.00 0.73 H new ATOM 0 HG22 VAL A 57 -4.590 -2.683 -6.129 1.00 0.73 H new ATOM 0 HG23 VAL A 57 -4.361 -4.157 -5.158 1.00 0.73 H new ATOM 873 N ILE A 58 -9.042 -3.477 -7.164 1.00 0.64 N ATOM 874 CA ILE A 58 -10.306 -3.749 -7.881 1.00 0.72 C ATOM 875 C ILE A 58 -10.469 -2.869 -9.140 1.00 0.77 C ATOM 876 O ILE A 58 -11.580 -2.566 -9.583 1.00 0.88 O ATOM 877 CB ILE A 58 -11.501 -3.636 -6.901 1.00 0.81 C ATOM 878 CG1 ILE A 58 -11.383 -2.379 -6.017 1.00 0.85 C ATOM 879 CG2 ILE A 58 -11.624 -4.896 -6.025 1.00 0.83 C ATOM 880 CD1 ILE A 58 -12.715 -1.981 -5.369 1.00 0.96 C ATOM 0 H ILE A 58 -8.794 -2.488 -7.139 1.00 0.64 H new ATOM 0 HA ILE A 58 -10.279 -4.772 -8.255 1.00 0.72 H new ATOM 0 HB ILE A 58 -12.406 -3.547 -7.502 1.00 0.81 H new ATOM 0 HG12 ILE A 58 -10.643 -2.557 -5.236 1.00 0.85 H new ATOM 0 HG13 ILE A 58 -11.015 -1.549 -6.621 1.00 0.85 H new ATOM 0 HG21 ILE A 58 -12.471 -4.787 -5.348 1.00 0.83 H new ATOM 0 HG22 ILE A 58 -11.778 -5.768 -6.661 1.00 0.83 H new ATOM 0 HG23 ILE A 58 -10.710 -5.027 -5.445 1.00 0.83 H new ATOM 0 HD11 ILE A 58 -12.571 -1.090 -4.758 1.00 0.96 H new ATOM 0 HD12 ILE A 58 -13.450 -1.773 -6.147 1.00 0.96 H new ATOM 0 HD13 ILE A 58 -13.072 -2.797 -4.741 1.00 0.96 H new ATOM 892 N GLU A 59 -9.346 -2.561 -9.793 1.00 0.72 N ATOM 893 CA GLU A 59 -9.257 -1.934 -11.114 1.00 0.80 C ATOM 894 C GLU A 59 -7.824 -2.065 -11.653 1.00 0.71 C ATOM 895 O GLU A 59 -6.877 -1.809 -10.909 1.00 0.68 O ATOM 896 CB GLU A 59 -9.605 -0.437 -11.013 1.00 0.95 C ATOM 897 CG GLU A 59 -9.754 0.249 -12.377 1.00 1.35 C ATOM 898 CD GLU A 59 -10.913 -0.319 -13.199 1.00 1.43 C ATOM 899 OE1 GLU A 59 -12.086 -0.035 -12.860 1.00 2.71 O ATOM 900 OE2 GLU A 59 -10.651 -1.023 -14.206 1.00 2.08 O ATOM 0 H GLU A 59 -8.427 -2.752 -9.394 1.00 0.72 H new ATOM 0 HA GLU A 59 -9.958 -2.432 -11.783 1.00 0.80 H new ATOM 0 HB2 GLU A 59 -10.535 -0.325 -10.455 1.00 0.95 H new ATOM 0 HB3 GLU A 59 -8.828 0.071 -10.442 1.00 0.95 H new ATOM 0 HG2 GLU A 59 -9.909 1.317 -12.227 1.00 1.35 H new ATOM 0 HG3 GLU A 59 -8.826 0.138 -12.939 1.00 1.35 H new ATOM 907 N GLY A 60 -7.668 -2.396 -12.939 1.00 0.74 N ATOM 908 CA GLY A 60 -6.373 -2.390 -13.630 1.00 0.70 C ATOM 909 C GLY A 60 -5.545 -3.672 -13.455 1.00 0.71 C ATOM 910 O GLY A 60 -5.995 -4.658 -12.875 1.00 0.82 O ATOM 0 H GLY A 60 -8.445 -2.679 -13.536 1.00 0.74 H new ATOM 0 HA2 GLY A 60 -6.545 -2.228 -14.694 1.00 0.70 H new ATOM 0 HA3 GLY A 60 -5.788 -1.544 -13.269 1.00 0.70 H new ATOM 914 N HIS A 61 -4.329 -3.661 -14.006 1.00 0.68 N ATOM 915 CA HIS A 61 -3.482 -4.859 -14.163 1.00 0.80 C ATOM 916 C HIS A 61 -1.987 -4.502 -14.279 1.00 0.87 C ATOM 917 O HIS A 61 -1.498 -4.224 -15.372 1.00 1.40 O ATOM 918 CB HIS A 61 -3.991 -5.678 -15.374 1.00 1.10 C ATOM 919 CG HIS A 61 -4.542 -4.851 -16.519 1.00 1.65 C ATOM 920 ND1 HIS A 61 -5.877 -4.644 -16.800 1.00 2.82 N ATOM 921 CD2 HIS A 61 -3.829 -4.097 -17.412 1.00 1.88 C ATOM 922 CE1 HIS A 61 -5.966 -3.790 -17.828 1.00 3.11 C ATOM 923 NE2 HIS A 61 -4.741 -3.404 -18.219 1.00 2.53 N ATOM 0 H HIS A 61 -3.893 -2.810 -14.363 1.00 0.68 H new ATOM 0 HA HIS A 61 -3.562 -5.473 -13.266 1.00 0.80 H new ATOM 0 HB2 HIS A 61 -3.172 -6.291 -15.749 1.00 1.10 H new ATOM 0 HB3 HIS A 61 -4.769 -6.361 -15.031 1.00 1.10 H new ATOM 0 HD2 HIS A 61 -2.753 -4.045 -17.482 1.00 1.88 H new ATOM 0 HE1 HIS A 61 -6.891 -3.459 -18.278 1.00 3.11 H new ATOM 0 HE2 HIS A 61 -4.518 -2.737 -18.958 1.00 2.53 H new ATOM 931 N SER A 62 -1.269 -4.482 -13.149 1.00 0.67 N ATOM 932 CA SER A 62 0.107 -3.954 -13.005 1.00 0.71 C ATOM 933 C SER A 62 1.060 -4.960 -12.355 1.00 0.66 C ATOM 934 O SER A 62 0.617 -5.933 -11.742 1.00 0.67 O ATOM 935 CB SER A 62 0.082 -2.661 -12.174 1.00 0.79 C ATOM 936 OG SER A 62 0.845 -1.594 -12.690 1.00 1.18 O ATOM 0 H SER A 62 -1.639 -4.846 -12.271 1.00 0.67 H new ATOM 0 HA SER A 62 0.481 -3.754 -14.009 1.00 0.71 H new ATOM 0 HB2 SER A 62 -0.953 -2.332 -12.077 1.00 0.79 H new ATOM 0 HB3 SER A 62 0.439 -2.888 -11.170 1.00 0.79 H new ATOM 0 HG SER A 62 1.706 -1.933 -13.012 1.00 1.18 H new ATOM 942 N MET A 63 2.370 -4.709 -12.438 1.00 0.72 N ATOM 943 CA MET A 63 3.415 -5.570 -11.882 1.00 0.78 C ATOM 944 C MET A 63 4.125 -4.870 -10.713 1.00 0.75 C ATOM 945 O MET A 63 4.528 -3.708 -10.818 1.00 0.81 O ATOM 946 CB MET A 63 4.338 -5.980 -13.032 1.00 0.98 C ATOM 947 CG MET A 63 5.415 -6.984 -12.626 1.00 1.15 C ATOM 948 SD MET A 63 6.044 -7.966 -14.021 1.00 1.48 S ATOM 949 CE MET A 63 4.819 -9.308 -14.022 1.00 1.27 C ATOM 0 H MET A 63 2.741 -3.881 -12.905 1.00 0.72 H new ATOM 0 HA MET A 63 3.003 -6.481 -11.447 1.00 0.78 H new ATOM 0 HB2 MET A 63 3.737 -6.410 -13.833 1.00 0.98 H new ATOM 0 HB3 MET A 63 4.818 -5.089 -13.436 1.00 0.98 H new ATOM 0 HG2 MET A 63 6.245 -6.449 -12.163 1.00 1.15 H new ATOM 0 HG3 MET A 63 5.009 -7.657 -11.871 1.00 1.15 H new ATOM 0 HE1 MET A 63 5.051 -10.012 -14.822 1.00 1.27 H new ATOM 0 HE2 MET A 63 4.846 -9.826 -13.063 1.00 1.27 H new ATOM 0 HE3 MET A 63 3.824 -8.892 -14.182 1.00 1.27 H new ATOM 959 N VAL A 64 4.256 -5.583 -9.593 1.00 0.72 N ATOM 960 CA VAL A 64 4.653 -5.044 -8.284 1.00 0.71 C ATOM 961 C VAL A 64 5.890 -5.730 -7.694 1.00 0.79 C ATOM 962 O VAL A 64 6.037 -6.948 -7.792 1.00 0.90 O ATOM 963 CB VAL A 64 3.450 -5.123 -7.315 1.00 0.67 C ATOM 964 CG1 VAL A 64 3.756 -4.634 -5.894 1.00 0.69 C ATOM 965 CG2 VAL A 64 2.271 -4.288 -7.841 1.00 0.61 C ATOM 0 H VAL A 64 4.083 -6.588 -9.568 1.00 0.72 H new ATOM 0 HA VAL A 64 4.942 -4.003 -8.430 1.00 0.71 H new ATOM 0 HB VAL A 64 3.205 -6.184 -7.266 1.00 0.67 H new ATOM 0 HG11 VAL A 64 2.861 -4.722 -5.278 1.00 0.69 H new ATOM 0 HG12 VAL A 64 4.553 -5.240 -5.464 1.00 0.69 H new ATOM 0 HG13 VAL A 64 4.071 -3.591 -5.928 1.00 0.69 H new ATOM 0 HG21 VAL A 64 1.436 -4.358 -7.144 1.00 0.61 H new ATOM 0 HG22 VAL A 64 2.577 -3.246 -7.937 1.00 0.61 H new ATOM 0 HG23 VAL A 64 1.963 -4.667 -8.815 1.00 0.61 H new ATOM 975 N ASP A 65 6.752 -4.955 -7.031 1.00 0.74 N ATOM 976 CA ASP A 65 7.931 -5.444 -6.300 1.00 0.78 C ATOM 977 C ASP A 65 7.714 -5.444 -4.773 1.00 0.77 C ATOM 978 O ASP A 65 7.725 -4.391 -4.131 1.00 0.87 O ATOM 979 CB ASP A 65 9.160 -4.609 -6.689 1.00 0.88 C ATOM 980 CG ASP A 65 10.407 -5.041 -5.913 1.00 0.85 C ATOM 981 OD1 ASP A 65 10.615 -6.270 -5.760 1.00 1.86 O ATOM 982 OD2 ASP A 65 11.180 -4.154 -5.481 1.00 1.51 O ATOM 0 H ASP A 65 6.649 -3.941 -6.985 1.00 0.74 H new ATOM 0 HA ASP A 65 8.099 -6.483 -6.584 1.00 0.78 H new ATOM 0 HB2 ASP A 65 9.344 -4.709 -7.759 1.00 0.88 H new ATOM 0 HB3 ASP A 65 8.959 -3.555 -6.497 1.00 0.88 H new ATOM 987 N GLU A 66 7.560 -6.634 -4.183 1.00 0.75 N ATOM 988 CA GLU A 66 7.262 -6.865 -2.755 1.00 0.76 C ATOM 989 C GLU A 66 8.487 -7.317 -1.917 1.00 0.74 C ATOM 990 O GLU A 66 8.351 -8.009 -0.903 1.00 0.84 O ATOM 991 CB GLU A 66 6.101 -7.862 -2.611 1.00 0.90 C ATOM 992 CG GLU A 66 4.839 -7.554 -3.427 1.00 0.99 C ATOM 993 CD GLU A 66 3.660 -8.464 -3.037 1.00 0.97 C ATOM 994 OE1 GLU A 66 3.858 -9.627 -2.615 1.00 1.64 O ATOM 995 OE2 GLU A 66 2.497 -8.002 -3.145 1.00 2.38 O ATOM 0 H GLU A 66 7.642 -7.505 -4.707 1.00 0.75 H new ATOM 0 HA GLU A 66 6.971 -5.898 -2.344 1.00 0.76 H new ATOM 0 HB2 GLU A 66 6.461 -8.851 -2.896 1.00 0.90 H new ATOM 0 HB3 GLU A 66 5.824 -7.915 -1.558 1.00 0.90 H new ATOM 0 HG2 GLU A 66 4.557 -6.512 -3.278 1.00 0.99 H new ATOM 0 HG3 GLU A 66 5.055 -7.677 -4.488 1.00 0.99 H new ATOM 1002 N SER A 67 9.694 -6.932 -2.343 1.00 0.86 N ATOM 1003 CA SER A 67 11.019 -7.378 -1.869 1.00 1.13 C ATOM 1004 C SER A 67 11.330 -7.339 -0.361 1.00 0.95 C ATOM 1005 O SER A 67 12.368 -7.878 0.049 1.00 1.41 O ATOM 1006 CB SER A 67 12.073 -6.511 -2.567 1.00 1.61 C ATOM 1007 OG SER A 67 11.827 -5.142 -2.298 1.00 2.14 O ATOM 0 H SER A 67 9.783 -6.243 -3.090 1.00 0.86 H new ATOM 0 HA SER A 67 11.029 -8.441 -2.110 1.00 1.13 H new ATOM 0 HB2 SER A 67 13.069 -6.785 -2.220 1.00 1.61 H new ATOM 0 HB3 SER A 67 12.049 -6.689 -3.642 1.00 1.61 H new ATOM 0 HG SER A 67 12.505 -4.594 -2.746 1.00 2.14 H new ATOM 1013 N LEU A 68 10.479 -6.733 0.471 1.00 0.77 N ATOM 1014 CA LEU A 68 10.628 -6.670 1.928 1.00 0.89 C ATOM 1015 C LEU A 68 9.394 -7.252 2.637 1.00 1.00 C ATOM 1016 O LEU A 68 9.567 -8.121 3.490 1.00 1.30 O ATOM 1017 CB LEU A 68 10.957 -5.211 2.327 1.00 0.99 C ATOM 1018 CG LEU A 68 11.572 -4.960 3.721 1.00 1.14 C ATOM 1019 CD1 LEU A 68 10.615 -5.208 4.887 1.00 1.40 C ATOM 1020 CD2 LEU A 68 12.852 -5.759 3.967 1.00 1.08 C ATOM 0 H LEU A 68 9.640 -6.257 0.139 1.00 0.77 H new ATOM 0 HA LEU A 68 11.458 -7.295 2.258 1.00 0.89 H new ATOM 0 HB2 LEU A 68 11.643 -4.808 1.582 1.00 0.99 H new ATOM 0 HB3 LEU A 68 10.037 -4.631 2.259 1.00 0.99 H new ATOM 0 HG LEU A 68 11.807 -3.896 3.695 1.00 1.14 H new ATOM 0 HD11 LEU A 68 11.128 -5.008 5.828 1.00 1.40 H new ATOM 0 HD12 LEU A 68 9.753 -4.548 4.797 1.00 1.40 H new ATOM 0 HD13 LEU A 68 10.281 -6.245 4.869 1.00 1.40 H new ATOM 0 HD21 LEU A 68 13.233 -5.537 4.964 1.00 1.08 H new ATOM 0 HD22 LEU A 68 12.636 -6.825 3.890 1.00 1.08 H new ATOM 0 HD23 LEU A 68 13.600 -5.485 3.223 1.00 1.08 H new ATOM 1032 N ILE A 69 8.169 -6.844 2.266 1.00 0.90 N ATOM 1033 CA ILE A 69 6.960 -7.231 3.037 1.00 0.95 C ATOM 1034 C ILE A 69 6.679 -8.742 2.945 1.00 1.07 C ATOM 1035 O ILE A 69 6.598 -9.423 3.968 1.00 1.20 O ATOM 1036 CB ILE A 69 5.677 -6.443 2.673 1.00 0.95 C ATOM 1037 CG1 ILE A 69 5.831 -4.926 2.446 1.00 1.01 C ATOM 1038 CG2 ILE A 69 4.624 -6.687 3.773 1.00 0.98 C ATOM 1039 CD1 ILE A 69 6.483 -4.123 3.569 1.00 0.86 C ATOM 0 H ILE A 69 7.983 -6.257 1.453 1.00 0.90 H new ATOM 0 HA ILE A 69 7.208 -6.963 4.064 1.00 0.95 H new ATOM 0 HB ILE A 69 5.378 -6.829 1.698 1.00 0.95 H new ATOM 0 HG12 ILE A 69 6.415 -4.776 1.538 1.00 1.01 H new ATOM 0 HG13 ILE A 69 4.841 -4.508 2.260 1.00 1.01 H new ATOM 0 HG21 ILE A 69 3.713 -6.139 3.533 1.00 0.98 H new ATOM 0 HG22 ILE A 69 4.401 -7.752 3.834 1.00 0.98 H new ATOM 0 HG23 ILE A 69 5.012 -6.342 4.731 1.00 0.98 H new ATOM 0 HD11 ILE A 69 6.531 -3.072 3.284 1.00 0.86 H new ATOM 0 HD12 ILE A 69 5.893 -4.225 4.480 1.00 0.86 H new ATOM 0 HD13 ILE A 69 7.491 -4.497 3.746 1.00 0.86 H new ATOM 1051 N THR A 70 6.542 -9.280 1.730 1.00 1.13 N ATOM 1052 CA THR A 70 6.368 -10.725 1.481 1.00 1.20 C ATOM 1053 C THR A 70 7.702 -11.411 1.158 1.00 1.27 C ATOM 1054 O THR A 70 7.794 -12.640 1.213 1.00 1.37 O ATOM 1055 CB THR A 70 5.336 -10.979 0.370 1.00 1.19 C ATOM 1056 OG1 THR A 70 5.752 -10.299 -0.782 1.00 1.31 O ATOM 1057 CG2 THR A 70 3.943 -10.471 0.736 1.00 1.31 C ATOM 0 H THR A 70 6.548 -8.722 0.876 1.00 1.13 H new ATOM 0 HA THR A 70 5.987 -11.166 2.402 1.00 1.20 H new ATOM 0 HB THR A 70 5.275 -12.056 0.217 1.00 1.19 H new ATOM 0 HG1 THR A 70 4.967 -10.022 -1.300 1.00 1.31 H new ATOM 0 HG21 THR A 70 3.254 -10.676 -0.083 1.00 1.31 H new ATOM 0 HG22 THR A 70 3.596 -10.977 1.637 1.00 1.31 H new ATOM 0 HG23 THR A 70 3.983 -9.397 0.916 1.00 1.31 H new ATOM 1065 N GLY A 71 8.758 -10.634 0.874 1.00 1.27 N ATOM 1066 CA GLY A 71 10.144 -11.102 0.750 1.00 1.31 C ATOM 1067 C GLY A 71 10.475 -11.852 -0.543 1.00 1.21 C ATOM 1068 O GLY A 71 11.524 -12.494 -0.615 1.00 1.30 O ATOM 0 H GLY A 71 8.666 -9.630 0.720 1.00 1.27 H new ATOM 0 HA2 GLY A 71 10.808 -10.241 0.830 1.00 1.31 H new ATOM 0 HA3 GLY A 71 10.365 -11.755 1.594 1.00 1.31 H new ATOM 1072 N GLU A 72 9.581 -11.820 -1.532 1.00 1.12 N ATOM 1073 CA GLU A 72 9.656 -12.655 -2.744 1.00 1.02 C ATOM 1074 C GLU A 72 10.955 -12.445 -3.548 1.00 1.16 C ATOM 1075 O GLU A 72 11.554 -13.428 -3.993 1.00 2.46 O ATOM 1076 CB GLU A 72 8.416 -12.407 -3.625 1.00 1.11 C ATOM 1077 CG GLU A 72 7.070 -12.674 -2.934 1.00 1.01 C ATOM 1078 CD GLU A 72 6.818 -14.162 -2.676 1.00 1.14 C ATOM 1079 OE1 GLU A 72 7.479 -14.757 -1.794 1.00 2.01 O ATOM 1080 OE2 GLU A 72 5.940 -14.764 -3.339 1.00 1.94 O ATOM 0 H GLU A 72 8.768 -11.204 -1.518 1.00 1.12 H new ATOM 0 HA GLU A 72 9.672 -13.695 -2.418 1.00 1.02 H new ATOM 0 HB2 GLU A 72 8.433 -11.373 -3.969 1.00 1.11 H new ATOM 0 HB3 GLU A 72 8.485 -13.038 -4.511 1.00 1.11 H new ATOM 0 HG2 GLU A 72 7.041 -12.136 -1.986 1.00 1.01 H new ATOM 0 HG3 GLU A 72 6.265 -12.276 -3.552 1.00 1.01 H new ATOM 1087 N ALA A 73 11.430 -11.198 -3.680 1.00 1.20 N ATOM 1088 CA ALA A 73 12.645 -10.823 -4.424 1.00 1.17 C ATOM 1089 C ALA A 73 12.540 -11.166 -5.926 1.00 0.90 C ATOM 1090 O ALA A 73 13.443 -11.733 -6.548 1.00 1.18 O ATOM 1091 CB ALA A 73 13.907 -11.322 -3.704 1.00 1.52 C ATOM 0 H ALA A 73 10.964 -10.394 -3.258 1.00 1.20 H new ATOM 0 HA ALA A 73 12.741 -9.737 -4.425 1.00 1.17 H new ATOM 0 HB1 ALA A 73 14.790 -11.032 -4.274 1.00 1.52 H new ATOM 0 HB2 ALA A 73 13.957 -10.881 -2.709 1.00 1.52 H new ATOM 0 HB3 ALA A 73 13.871 -12.408 -3.618 1.00 1.52 H new ATOM 1097 N MET A 74 11.368 -10.846 -6.472 1.00 1.14 N ATOM 1098 CA MET A 74 10.917 -11.023 -7.852 1.00 0.99 C ATOM 1099 C MET A 74 9.695 -10.114 -8.119 1.00 1.15 C ATOM 1100 O MET A 74 9.015 -9.725 -7.162 1.00 1.60 O ATOM 1101 CB MET A 74 10.527 -12.495 -8.088 1.00 1.07 C ATOM 1102 CG MET A 74 9.474 -13.008 -7.096 1.00 2.31 C ATOM 1103 SD MET A 74 8.765 -14.628 -7.471 1.00 3.15 S ATOM 1104 CE MET A 74 7.728 -14.219 -8.904 1.00 4.40 C ATOM 0 H MET A 74 10.639 -10.414 -5.904 1.00 1.14 H new ATOM 0 HA MET A 74 11.725 -10.752 -8.531 1.00 0.99 H new ATOM 0 HB2 MET A 74 10.145 -12.605 -9.103 1.00 1.07 H new ATOM 0 HB3 MET A 74 11.419 -13.117 -8.015 1.00 1.07 H new ATOM 0 HG2 MET A 74 9.926 -13.050 -6.105 1.00 2.31 H new ATOM 0 HG3 MET A 74 8.664 -12.280 -7.046 1.00 2.31 H new ATOM 0 HE1 MET A 74 7.089 -15.068 -9.145 1.00 4.40 H new ATOM 0 HE2 MET A 74 7.109 -13.353 -8.670 1.00 4.40 H new ATOM 0 HE3 MET A 74 8.363 -13.989 -9.759 1.00 4.40 H new ATOM 1114 N PRO A 75 9.367 -9.788 -9.381 1.00 1.16 N ATOM 1115 CA PRO A 75 8.140 -9.067 -9.714 1.00 1.40 C ATOM 1116 C PRO A 75 6.894 -9.979 -9.695 1.00 1.12 C ATOM 1117 O PRO A 75 6.924 -11.115 -10.181 1.00 1.04 O ATOM 1118 CB PRO A 75 8.411 -8.468 -11.093 1.00 1.80 C ATOM 1119 CG PRO A 75 9.353 -9.479 -11.744 1.00 2.31 C ATOM 1120 CD PRO A 75 10.188 -9.985 -10.570 1.00 1.51 C ATOM 0 HA PRO A 75 7.907 -8.298 -8.978 1.00 1.40 H new ATOM 0 HB2 PRO A 75 7.492 -8.349 -11.666 1.00 1.80 H new ATOM 0 HB3 PRO A 75 8.870 -7.482 -11.019 1.00 1.80 H new ATOM 0 HG2 PRO A 75 8.804 -10.288 -12.226 1.00 2.31 H new ATOM 0 HG3 PRO A 75 9.975 -9.015 -12.510 1.00 2.31 H new ATOM 0 HD2 PRO A 75 10.444 -11.037 -10.698 1.00 1.51 H new ATOM 0 HD3 PRO A 75 11.126 -9.435 -10.492 1.00 1.51 H new ATOM 1128 N VAL A 76 5.782 -9.467 -9.162 1.00 1.05 N ATOM 1129 CA VAL A 76 4.504 -10.186 -8.966 1.00 0.93 C ATOM 1130 C VAL A 76 3.357 -9.448 -9.668 1.00 0.78 C ATOM 1131 O VAL A 76 3.288 -8.222 -9.621 1.00 0.83 O ATOM 1132 CB VAL A 76 4.208 -10.359 -7.457 1.00 0.94 C ATOM 1133 CG1 VAL A 76 2.946 -11.196 -7.210 1.00 0.90 C ATOM 1134 CG2 VAL A 76 5.363 -11.051 -6.717 1.00 1.12 C ATOM 0 H VAL A 76 5.737 -8.500 -8.839 1.00 1.05 H new ATOM 0 HA VAL A 76 4.591 -11.177 -9.412 1.00 0.93 H new ATOM 0 HB VAL A 76 4.070 -9.347 -7.076 1.00 0.94 H new ATOM 0 HG11 VAL A 76 2.777 -11.291 -6.137 1.00 0.90 H new ATOM 0 HG12 VAL A 76 2.088 -10.706 -7.670 1.00 0.90 H new ATOM 0 HG13 VAL A 76 3.075 -12.186 -7.647 1.00 0.90 H new ATOM 0 HG21 VAL A 76 5.111 -11.151 -5.661 1.00 1.12 H new ATOM 0 HG22 VAL A 76 5.529 -12.039 -7.145 1.00 1.12 H new ATOM 0 HG23 VAL A 76 6.270 -10.454 -6.819 1.00 1.12 H new ATOM 1144 N ALA A 77 2.440 -10.167 -10.322 1.00 0.72 N ATOM 1145 CA ALA A 77 1.341 -9.558 -11.079 1.00 0.68 C ATOM 1146 C ALA A 77 0.088 -9.320 -10.212 1.00 0.58 C ATOM 1147 O ALA A 77 -0.319 -10.191 -9.441 1.00 0.63 O ATOM 1148 CB ALA A 77 1.049 -10.430 -12.305 1.00 0.82 C ATOM 0 H ALA A 77 2.438 -11.187 -10.342 1.00 0.72 H new ATOM 0 HA ALA A 77 1.645 -8.565 -11.412 1.00 0.68 H new ATOM 0 HB1 ALA A 77 0.233 -9.990 -12.879 1.00 0.82 H new ATOM 0 HB2 ALA A 77 1.940 -10.490 -12.929 1.00 0.82 H new ATOM 0 HB3 ALA A 77 0.765 -11.431 -11.980 1.00 0.82 H new ATOM 1154 N LYS A 78 -0.550 -8.152 -10.362 1.00 0.53 N ATOM 1155 CA LYS A 78 -1.816 -7.771 -9.702 1.00 0.52 C ATOM 1156 C LYS A 78 -2.927 -7.527 -10.738 1.00 0.62 C ATOM 1157 O LYS A 78 -2.642 -7.256 -11.907 1.00 0.72 O ATOM 1158 CB LYS A 78 -1.601 -6.550 -8.781 1.00 0.51 C ATOM 1159 CG LYS A 78 -0.469 -6.691 -7.743 1.00 0.47 C ATOM 1160 CD LYS A 78 -0.678 -7.796 -6.693 1.00 0.48 C ATOM 1161 CE LYS A 78 0.525 -7.893 -5.745 1.00 0.52 C ATOM 1162 NZ LYS A 78 0.304 -8.886 -4.665 1.00 0.63 N ATOM 0 H LYS A 78 -0.189 -7.415 -10.968 1.00 0.53 H new ATOM 0 HA LYS A 78 -2.144 -8.600 -9.074 1.00 0.52 H new ATOM 0 HB2 LYS A 78 -1.393 -5.680 -9.404 1.00 0.51 H new ATOM 0 HB3 LYS A 78 -2.532 -6.348 -8.252 1.00 0.51 H new ATOM 0 HG2 LYS A 78 0.465 -6.885 -8.271 1.00 0.47 H new ATOM 0 HG3 LYS A 78 -0.351 -5.739 -7.226 1.00 0.47 H new ATOM 0 HD2 LYS A 78 -1.581 -7.590 -6.119 1.00 0.48 H new ATOM 0 HD3 LYS A 78 -0.829 -8.753 -7.193 1.00 0.48 H new ATOM 0 HE2 LYS A 78 1.413 -8.168 -6.314 1.00 0.52 H new ATOM 0 HE3 LYS A 78 0.719 -6.915 -5.304 1.00 0.52 H new ATOM 0 HZ1 LYS A 78 1.078 -8.824 -3.973 1.00 0.63 H new ATOM 0 HZ2 LYS A 78 -0.601 -8.689 -4.192 1.00 0.63 H new ATOM 0 HZ3 LYS A 78 0.280 -9.843 -5.072 1.00 0.63 H new ATOM 1176 N LYS A 79 -4.188 -7.640 -10.309 1.00 0.69 N ATOM 1177 CA LYS A 79 -5.427 -7.553 -11.116 1.00 0.79 C ATOM 1178 C LYS A 79 -6.640 -7.242 -10.213 1.00 0.77 C ATOM 1179 O LYS A 79 -6.452 -7.245 -8.995 1.00 0.72 O ATOM 1180 CB LYS A 79 -5.619 -8.875 -11.891 1.00 0.87 C ATOM 1181 CG LYS A 79 -5.547 -10.177 -11.074 1.00 1.97 C ATOM 1182 CD LYS A 79 -5.990 -11.389 -11.916 1.00 2.07 C ATOM 1183 CE LYS A 79 -5.151 -11.554 -13.193 1.00 1.97 C ATOM 1184 NZ LYS A 79 -5.571 -12.728 -13.989 1.00 2.26 N ATOM 0 H LYS A 79 -4.393 -7.806 -9.324 1.00 0.69 H new ATOM 0 HA LYS A 79 -5.343 -6.737 -11.834 1.00 0.79 H new ATOM 0 HB2 LYS A 79 -6.589 -8.839 -12.388 1.00 0.87 H new ATOM 0 HB3 LYS A 79 -4.861 -8.923 -12.673 1.00 0.87 H new ATOM 0 HG2 LYS A 79 -4.528 -10.331 -10.719 1.00 1.97 H new ATOM 0 HG3 LYS A 79 -6.182 -10.092 -10.192 1.00 1.97 H new ATOM 0 HD2 LYS A 79 -5.912 -12.294 -11.314 1.00 2.07 H new ATOM 0 HD3 LYS A 79 -7.040 -11.276 -12.186 1.00 2.07 H new ATOM 0 HE2 LYS A 79 -5.238 -10.654 -13.802 1.00 1.97 H new ATOM 0 HE3 LYS A 79 -4.100 -11.656 -12.924 1.00 1.97 H new ATOM 0 HZ1 LYS A 79 -4.978 -12.800 -14.840 1.00 2.26 H new ATOM 0 HZ2 LYS A 79 -5.464 -13.591 -13.418 1.00 2.26 H new ATOM 0 HZ3 LYS A 79 -6.567 -12.620 -14.269 1.00 2.26 H new ATOM 1198 N PRO A 80 -7.863 -6.975 -10.718 1.00 0.86 N ATOM 1199 CA PRO A 80 -9.051 -6.940 -9.861 1.00 0.90 C ATOM 1200 C PRO A 80 -9.198 -8.235 -9.040 1.00 0.87 C ATOM 1201 O PRO A 80 -9.006 -9.341 -9.552 1.00 0.95 O ATOM 1202 CB PRO A 80 -10.249 -6.712 -10.797 1.00 1.04 C ATOM 1203 CG PRO A 80 -9.721 -7.124 -12.172 1.00 1.01 C ATOM 1204 CD PRO A 80 -8.261 -6.688 -12.090 1.00 1.00 C ATOM 0 HA PRO A 80 -8.980 -6.141 -9.124 1.00 0.90 H new ATOM 0 HB2 PRO A 80 -11.108 -7.314 -10.501 1.00 1.04 H new ATOM 0 HB3 PRO A 80 -10.571 -5.671 -10.788 1.00 1.04 H new ATOM 0 HG2 PRO A 80 -9.818 -8.196 -12.343 1.00 1.01 H new ATOM 0 HG3 PRO A 80 -10.252 -6.623 -12.981 1.00 1.01 H new ATOM 0 HD2 PRO A 80 -7.644 -7.235 -12.803 1.00 1.00 H new ATOM 0 HD3 PRO A 80 -8.151 -5.628 -12.320 1.00 1.00 H new ATOM 1212 N GLY A 81 -9.505 -8.095 -7.750 1.00 0.88 N ATOM 1213 CA GLY A 81 -9.520 -9.210 -6.800 1.00 0.87 C ATOM 1214 C GLY A 81 -8.117 -9.684 -6.399 1.00 0.71 C ATOM 1215 O GLY A 81 -7.880 -10.887 -6.288 1.00 0.79 O ATOM 0 H GLY A 81 -9.752 -7.198 -7.331 1.00 0.88 H new ATOM 0 HA2 GLY A 81 -10.064 -8.908 -5.905 1.00 0.87 H new ATOM 0 HA3 GLY A 81 -10.067 -10.045 -7.239 1.00 0.87 H new ATOM 1219 N SER A 82 -7.168 -8.759 -6.216 1.00 0.68 N ATOM 1220 CA SER A 82 -5.782 -9.068 -5.808 1.00 0.54 C ATOM 1221 C SER A 82 -5.381 -8.285 -4.559 1.00 0.56 C ATOM 1222 O SER A 82 -5.722 -7.107 -4.456 1.00 0.76 O ATOM 1223 CB SER A 82 -4.854 -8.724 -6.973 1.00 0.45 C ATOM 1224 OG SER A 82 -3.528 -9.133 -6.748 1.00 1.46 O ATOM 0 H SER A 82 -7.337 -7.762 -6.347 1.00 0.68 H new ATOM 0 HA SER A 82 -5.705 -10.127 -5.561 1.00 0.54 H new ATOM 0 HB2 SER A 82 -5.227 -9.197 -7.881 1.00 0.45 H new ATOM 0 HB3 SER A 82 -4.874 -7.648 -7.143 1.00 0.45 H new ATOM 0 HG SER A 82 -3.259 -9.768 -7.444 1.00 1.46 H new ATOM 1230 N THR A 83 -4.665 -8.881 -3.600 1.00 0.61 N ATOM 1231 CA THR A 83 -4.229 -8.181 -2.374 1.00 0.63 C ATOM 1232 C THR A 83 -2.855 -7.536 -2.528 1.00 0.52 C ATOM 1233 O THR A 83 -1.973 -8.064 -3.210 1.00 0.52 O ATOM 1234 CB THR A 83 -4.269 -9.072 -1.119 1.00 0.80 C ATOM 1235 OG1 THR A 83 -3.575 -10.290 -1.301 1.00 0.82 O ATOM 1236 CG2 THR A 83 -5.706 -9.424 -0.752 1.00 0.98 C ATOM 0 H THR A 83 -4.370 -9.856 -3.645 1.00 0.61 H new ATOM 0 HA THR A 83 -4.961 -7.386 -2.228 1.00 0.63 H new ATOM 0 HB THR A 83 -3.790 -8.494 -0.328 1.00 0.80 H new ATOM 0 HG1 THR A 83 -3.626 -10.821 -0.479 1.00 0.82 H new ATOM 0 HG21 THR A 83 -5.710 -10.054 0.137 1.00 0.98 H new ATOM 0 HG22 THR A 83 -6.265 -8.510 -0.552 1.00 0.98 H new ATOM 0 HG23 THR A 83 -6.172 -9.960 -1.579 1.00 0.98 H new ATOM 1244 N VAL A 84 -2.681 -6.379 -1.887 1.00 0.49 N ATOM 1245 CA VAL A 84 -1.465 -5.554 -1.924 1.00 0.48 C ATOM 1246 C VAL A 84 -1.075 -5.041 -0.536 1.00 0.57 C ATOM 1247 O VAL A 84 -1.914 -4.924 0.366 1.00 0.61 O ATOM 1248 CB VAL A 84 -1.596 -4.375 -2.914 1.00 0.49 C ATOM 1249 CG1 VAL A 84 -1.659 -4.867 -4.364 1.00 0.54 C ATOM 1250 CG2 VAL A 84 -2.819 -3.488 -2.637 1.00 0.50 C ATOM 0 H VAL A 84 -3.411 -5.972 -1.303 1.00 0.49 H new ATOM 0 HA VAL A 84 -0.667 -6.206 -2.278 1.00 0.48 H new ATOM 0 HB VAL A 84 -0.700 -3.772 -2.765 1.00 0.49 H new ATOM 0 HG11 VAL A 84 -1.751 -4.013 -5.034 1.00 0.54 H new ATOM 0 HG12 VAL A 84 -0.749 -5.418 -4.601 1.00 0.54 H new ATOM 0 HG13 VAL A 84 -2.522 -5.521 -4.489 1.00 0.54 H new ATOM 0 HG21 VAL A 84 -2.854 -2.679 -3.366 1.00 0.50 H new ATOM 0 HG22 VAL A 84 -3.727 -4.086 -2.714 1.00 0.50 H new ATOM 0 HG23 VAL A 84 -2.745 -3.069 -1.633 1.00 0.50 H new ATOM 1260 N ILE A 85 0.209 -4.721 -0.374 1.00 0.66 N ATOM 1261 CA ILE A 85 0.823 -4.261 0.882 1.00 0.75 C ATOM 1262 C ILE A 85 1.657 -2.981 0.709 1.00 0.85 C ATOM 1263 O ILE A 85 2.318 -2.763 -0.311 1.00 1.13 O ATOM 1264 CB ILE A 85 1.617 -5.392 1.593 1.00 0.76 C ATOM 1265 CG1 ILE A 85 2.336 -6.413 0.683 1.00 1.02 C ATOM 1266 CG2 ILE A 85 0.696 -6.189 2.529 1.00 0.84 C ATOM 1267 CD1 ILE A 85 3.334 -5.780 -0.280 1.00 0.78 C ATOM 0 H ILE A 85 0.880 -4.776 -1.141 1.00 0.66 H new ATOM 0 HA ILE A 85 -0.002 -3.992 1.541 1.00 0.75 H new ATOM 0 HB ILE A 85 2.398 -4.845 2.122 1.00 0.76 H new ATOM 0 HG12 ILE A 85 2.857 -7.139 1.307 1.00 1.02 H new ATOM 0 HG13 ILE A 85 1.590 -6.963 0.109 1.00 1.02 H new ATOM 0 HG21 ILE A 85 1.268 -6.977 3.019 1.00 0.84 H new ATOM 0 HG22 ILE A 85 0.278 -5.522 3.283 1.00 0.84 H new ATOM 0 HG23 ILE A 85 -0.113 -6.635 1.950 1.00 0.84 H new ATOM 0 HD11 ILE A 85 3.799 -6.558 -0.886 1.00 0.78 H new ATOM 0 HD12 ILE A 85 2.815 -5.075 -0.930 1.00 0.78 H new ATOM 0 HD13 ILE A 85 4.102 -5.253 0.286 1.00 0.78 H new ATOM 1279 N ALA A 86 1.617 -2.119 1.729 1.00 0.78 N ATOM 1280 CA ALA A 86 2.260 -0.807 1.709 1.00 0.83 C ATOM 1281 C ALA A 86 3.792 -0.892 1.574 1.00 0.83 C ATOM 1282 O ALA A 86 4.426 -1.827 2.060 1.00 0.80 O ATOM 1283 CB ALA A 86 1.849 -0.023 2.960 1.00 0.90 C ATOM 0 H ALA A 86 1.130 -2.318 2.603 1.00 0.78 H new ATOM 0 HA ALA A 86 1.917 -0.278 0.820 1.00 0.83 H new ATOM 0 HB1 ALA A 86 2.327 0.957 2.949 1.00 0.90 H new ATOM 0 HB2 ALA A 86 0.766 0.102 2.972 1.00 0.90 H new ATOM 0 HB3 ALA A 86 2.161 -0.569 3.850 1.00 0.90 H new ATOM 1289 N GLY A 87 4.385 0.096 0.905 1.00 0.89 N ATOM 1290 CA GLY A 87 5.832 0.184 0.682 1.00 0.94 C ATOM 1291 C GLY A 87 6.367 -0.663 -0.476 1.00 0.92 C ATOM 1292 O GLY A 87 7.540 -0.530 -0.823 1.00 1.04 O ATOM 0 H GLY A 87 3.866 0.873 0.495 1.00 0.89 H new ATOM 0 HA2 GLY A 87 6.092 1.226 0.499 1.00 0.94 H new ATOM 0 HA3 GLY A 87 6.343 -0.116 1.597 1.00 0.94 H new ATOM 1296 N SER A 88 5.527 -1.502 -1.093 1.00 0.83 N ATOM 1297 CA SER A 88 5.852 -2.152 -2.371 1.00 0.82 C ATOM 1298 C SER A 88 5.710 -1.151 -3.534 1.00 0.74 C ATOM 1299 O SER A 88 5.043 -0.118 -3.389 1.00 0.70 O ATOM 1300 CB SER A 88 5.022 -3.430 -2.572 1.00 0.83 C ATOM 1301 OG SER A 88 3.629 -3.195 -2.656 1.00 1.41 O ATOM 0 H SER A 88 4.608 -1.749 -0.725 1.00 0.83 H new ATOM 0 HA SER A 88 6.894 -2.470 -2.351 1.00 0.82 H new ATOM 0 HB2 SER A 88 5.353 -3.928 -3.483 1.00 0.83 H new ATOM 0 HB3 SER A 88 5.217 -4.113 -1.746 1.00 0.83 H new ATOM 0 HG SER A 88 3.263 -3.071 -1.755 1.00 1.41 H new ATOM 1307 N ILE A 89 6.376 -1.416 -4.666 1.00 0.75 N ATOM 1308 CA ILE A 89 6.492 -0.479 -5.807 1.00 0.72 C ATOM 1309 C ILE A 89 5.660 -0.961 -7.000 1.00 0.65 C ATOM 1310 O ILE A 89 5.671 -2.155 -7.283 1.00 0.65 O ATOM 1311 CB ILE A 89 7.961 -0.264 -6.261 1.00 0.87 C ATOM 1312 CG1 ILE A 89 9.059 -0.585 -5.221 1.00 1.07 C ATOM 1313 CG2 ILE A 89 8.123 1.175 -6.790 1.00 0.80 C ATOM 1314 CD1 ILE A 89 9.069 0.312 -3.981 1.00 1.11 C ATOM 0 H ILE A 89 6.859 -2.300 -4.824 1.00 0.75 H new ATOM 0 HA ILE A 89 6.108 0.477 -5.452 1.00 0.72 H new ATOM 0 HB ILE A 89 8.126 -1.004 -7.044 1.00 0.87 H new ATOM 0 HG12 ILE A 89 8.940 -1.620 -4.899 1.00 1.07 H new ATOM 0 HG13 ILE A 89 10.031 -0.513 -5.709 1.00 1.07 H new ATOM 0 HG21 ILE A 89 9.153 1.331 -7.110 1.00 0.80 H new ATOM 0 HG22 ILE A 89 7.453 1.329 -7.636 1.00 0.80 H new ATOM 0 HG23 ILE A 89 7.878 1.883 -5.999 1.00 0.80 H new ATOM 0 HD11 ILE A 89 9.876 0.004 -3.316 1.00 1.11 H new ATOM 0 HD12 ILE A 89 9.223 1.348 -4.283 1.00 1.11 H new ATOM 0 HD13 ILE A 89 8.115 0.224 -3.460 1.00 1.11 H new ATOM 1326 N ASN A 90 4.983 -0.059 -7.721 1.00 0.66 N ATOM 1327 CA ASN A 90 4.093 -0.381 -8.846 1.00 0.60 C ATOM 1328 C ASN A 90 4.664 0.035 -10.222 1.00 0.85 C ATOM 1329 O ASN A 90 5.313 1.072 -10.333 1.00 0.95 O ATOM 1330 CB ASN A 90 2.738 0.297 -8.575 1.00 0.55 C ATOM 1331 CG ASN A 90 1.684 -0.199 -9.524 1.00 0.80 C ATOM 1332 OD1 ASN A 90 1.266 -1.340 -9.468 1.00 1.68 O ATOM 1333 ND2 ASN A 90 1.256 0.606 -10.458 1.00 0.54 N ATOM 0 H ASN A 90 5.040 0.942 -7.534 1.00 0.66 H new ATOM 0 HA ASN A 90 3.983 -1.464 -8.906 1.00 0.60 H new ATOM 0 HB2 ASN A 90 2.429 0.100 -7.548 1.00 0.55 H new ATOM 0 HB3 ASN A 90 2.842 1.377 -8.675 1.00 0.55 H new ATOM 0 HD21 ASN A 90 0.572 0.278 -11.140 1.00 0.54 H new ATOM 0 HD22 ASN A 90 1.606 1.563 -10.506 1.00 0.54 H new ATOM 1340 N GLN A 91 4.361 -0.707 -11.297 1.00 1.08 N ATOM 1341 CA GLN A 91 4.790 -0.412 -12.675 1.00 1.42 C ATOM 1342 C GLN A 91 3.787 -0.937 -13.717 1.00 1.75 C ATOM 1343 O GLN A 91 3.281 -2.052 -13.556 1.00 3.07 O ATOM 1344 CB GLN A 91 6.115 -1.141 -12.937 1.00 1.53 C ATOM 1345 CG GLN A 91 6.956 -0.616 -14.110 1.00 2.10 C ATOM 1346 CD GLN A 91 7.631 0.705 -13.778 1.00 2.64 C ATOM 1347 OE1 GLN A 91 8.727 0.754 -13.232 1.00 2.91 O ATOM 1348 NE2 GLN A 91 7.018 1.822 -14.084 1.00 3.49 N ATOM 0 H GLN A 91 3.795 -1.553 -11.232 1.00 1.08 H new ATOM 0 HA GLN A 91 4.875 0.671 -12.768 1.00 1.42 H new ATOM 0 HB2 GLN A 91 6.720 -1.089 -12.032 1.00 1.53 H new ATOM 0 HB3 GLN A 91 5.897 -2.194 -13.115 1.00 1.53 H new ATOM 0 HG2 GLN A 91 7.713 -1.355 -14.373 1.00 2.10 H new ATOM 0 HG3 GLN A 91 6.319 -0.488 -14.985 1.00 2.10 H new ATOM 0 HE21 GLN A 91 6.105 1.795 -14.539 1.00 3.49 H new ATOM 0 HE22 GLN A 91 7.454 2.719 -13.868 1.00 3.49 H new ATOM 1357 N ASN A 92 3.538 -0.166 -14.785 1.00 1.47 N ATOM 1358 CA ASN A 92 2.815 -0.522 -16.016 1.00 1.65 C ATOM 1359 C ASN A 92 1.527 -1.312 -15.767 1.00 1.81 C ATOM 1360 O ASN A 92 1.542 -2.547 -15.772 1.00 3.15 O ATOM 1361 CB ASN A 92 3.769 -1.222 -17.003 1.00 2.05 C ATOM 1362 CG ASN A 92 3.167 -1.309 -18.399 1.00 2.47 C ATOM 1363 OD1 ASN A 92 3.486 -0.526 -19.285 1.00 3.09 O ATOM 1364 ND2 ASN A 92 2.256 -2.223 -18.630 1.00 2.49 N ATOM 0 H ASN A 92 3.863 0.800 -14.813 1.00 1.47 H new ATOM 0 HA ASN A 92 2.472 0.406 -16.473 1.00 1.65 H new ATOM 0 HB2 ASN A 92 4.712 -0.677 -17.046 1.00 2.05 H new ATOM 0 HB3 ASN A 92 3.996 -2.225 -16.641 1.00 2.05 H new ATOM 0 HD21 ASN A 92 1.813 -2.282 -19.547 1.00 2.49 H new ATOM 0 HD22 ASN A 92 1.990 -2.876 -17.893 1.00 2.49 H new ATOM 1371 N GLY A 93 0.415 -0.607 -15.565 1.00 1.59 N ATOM 1372 CA GLY A 93 -0.892 -1.242 -15.371 1.00 2.12 C ATOM 1373 C GLY A 93 -1.998 -0.409 -14.705 1.00 2.21 C ATOM 1374 O GLY A 93 -3.152 -0.845 -14.733 1.00 3.75 O ATOM 0 H GLY A 93 0.392 0.412 -15.531 1.00 1.59 H new ATOM 0 HA2 GLY A 93 -1.256 -1.565 -16.346 1.00 2.12 H new ATOM 0 HA3 GLY A 93 -0.743 -2.141 -14.773 1.00 2.12 H new ATOM 1378 N SER A 94 -1.664 0.764 -14.148 1.00 1.17 N ATOM 1379 CA SER A 94 -2.574 1.819 -13.639 1.00 1.05 C ATOM 1380 C SER A 94 -3.756 1.331 -12.768 1.00 0.76 C ATOM 1381 O SER A 94 -4.872 1.136 -13.255 1.00 1.06 O ATOM 1382 CB SER A 94 -3.062 2.675 -14.817 1.00 1.69 C ATOM 1383 OG SER A 94 -1.976 3.285 -15.503 1.00 2.52 O ATOM 0 H SER A 94 -0.685 1.026 -14.030 1.00 1.17 H new ATOM 0 HA SER A 94 -1.980 2.414 -12.945 1.00 1.05 H new ATOM 0 HB2 SER A 94 -3.628 2.053 -15.510 1.00 1.69 H new ATOM 0 HB3 SER A 94 -3.742 3.445 -14.452 1.00 1.69 H new ATOM 0 HG SER A 94 -2.319 3.821 -16.248 1.00 2.52 H new ATOM 1389 N LEU A 95 -3.525 1.158 -11.458 1.00 0.65 N ATOM 1390 CA LEU A 95 -4.452 0.497 -10.517 1.00 0.56 C ATOM 1391 C LEU A 95 -5.176 1.441 -9.539 1.00 0.61 C ATOM 1392 O LEU A 95 -4.694 2.530 -9.220 1.00 0.66 O ATOM 1393 CB LEU A 95 -3.677 -0.514 -9.643 1.00 0.55 C ATOM 1394 CG LEU A 95 -2.784 -1.549 -10.316 1.00 0.67 C ATOM 1395 CD1 LEU A 95 -2.104 -2.416 -9.255 1.00 0.66 C ATOM 1396 CD2 LEU A 95 -3.594 -2.440 -11.233 1.00 0.93 C ATOM 0 H LEU A 95 -2.668 1.481 -11.009 1.00 0.65 H new ATOM 0 HA LEU A 95 -5.202 0.035 -11.159 1.00 0.56 H new ATOM 0 HB2 LEU A 95 -3.055 0.057 -8.954 1.00 0.55 H new ATOM 0 HB3 LEU A 95 -4.407 -1.054 -9.040 1.00 0.55 H new ATOM 0 HG LEU A 95 -2.033 -1.021 -10.903 1.00 0.67 H new ATOM 0 HD11 LEU A 95 -1.467 -3.154 -9.742 1.00 0.66 H new ATOM 0 HD12 LEU A 95 -1.498 -1.786 -8.604 1.00 0.66 H new ATOM 0 HD13 LEU A 95 -2.862 -2.927 -8.662 1.00 0.66 H new ATOM 0 HD21 LEU A 95 -2.937 -3.172 -11.703 1.00 0.93 H new ATOM 0 HD22 LEU A 95 -4.359 -2.958 -10.655 1.00 0.93 H new ATOM 0 HD23 LEU A 95 -4.070 -1.833 -12.003 1.00 0.93 H new ATOM 1408 N LEU A 96 -6.284 0.942 -8.974 1.00 0.71 N ATOM 1409 CA LEU A 96 -6.956 1.530 -7.809 1.00 0.92 C ATOM 1410 C LEU A 96 -7.154 0.473 -6.707 1.00 0.77 C ATOM 1411 O LEU A 96 -7.569 -0.661 -6.973 1.00 0.70 O ATOM 1412 CB LEU A 96 -8.285 2.226 -8.154 1.00 1.28 C ATOM 1413 CG LEU A 96 -8.155 3.469 -9.058 1.00 1.61 C ATOM 1414 CD1 LEU A 96 -8.386 3.127 -10.528 1.00 1.75 C ATOM 1415 CD2 LEU A 96 -9.194 4.520 -8.661 1.00 2.43 C ATOM 0 H LEU A 96 -6.747 0.102 -9.321 1.00 0.71 H new ATOM 0 HA LEU A 96 -6.297 2.314 -7.436 1.00 0.92 H new ATOM 0 HB2 LEU A 96 -8.938 1.505 -8.645 1.00 1.28 H new ATOM 0 HB3 LEU A 96 -8.775 2.520 -7.226 1.00 1.28 H new ATOM 0 HG LEU A 96 -7.142 3.849 -8.928 1.00 1.61 H new ATOM 0 HD11 LEU A 96 -8.286 4.029 -11.132 1.00 1.75 H new ATOM 0 HD12 LEU A 96 -7.650 2.391 -10.850 1.00 1.75 H new ATOM 0 HD13 LEU A 96 -9.388 2.716 -10.653 1.00 1.75 H new ATOM 0 HD21 LEU A 96 -9.093 5.393 -9.306 1.00 2.43 H new ATOM 0 HD22 LEU A 96 -10.195 4.102 -8.770 1.00 2.43 H new ATOM 0 HD23 LEU A 96 -9.035 4.815 -7.624 1.00 2.43 H new ATOM 1427 N ILE A 97 -6.859 0.867 -5.467 1.00 0.76 N ATOM 1428 CA ILE A 97 -6.928 0.042 -4.254 1.00 0.65 C ATOM 1429 C ILE A 97 -8.075 0.512 -3.353 1.00 0.55 C ATOM 1430 O ILE A 97 -8.153 1.696 -3.019 1.00 0.54 O ATOM 1431 CB ILE A 97 -5.600 0.096 -3.453 1.00 0.76 C ATOM 1432 CG1 ILE A 97 -4.307 -0.010 -4.292 1.00 1.02 C ATOM 1433 CG2 ILE A 97 -5.568 -1.046 -2.419 1.00 0.71 C ATOM 1434 CD1 ILE A 97 -3.805 1.314 -4.885 1.00 1.66 C ATOM 0 H ILE A 97 -6.549 1.818 -5.269 1.00 0.76 H new ATOM 0 HA ILE A 97 -7.104 -0.986 -4.571 1.00 0.65 H new ATOM 0 HB ILE A 97 -5.602 1.086 -2.998 1.00 0.76 H new ATOM 0 HG12 ILE A 97 -3.520 -0.432 -3.667 1.00 1.02 H new ATOM 0 HG13 ILE A 97 -4.478 -0.714 -5.107 1.00 1.02 H new ATOM 0 HG21 ILE A 97 -4.634 -1.004 -1.859 1.00 0.71 H new ATOM 0 HG22 ILE A 97 -6.408 -0.939 -1.732 1.00 0.71 H new ATOM 0 HG23 ILE A 97 -5.640 -2.004 -2.933 1.00 0.71 H new ATOM 0 HD11 ILE A 97 -2.894 1.135 -5.456 1.00 1.66 H new ATOM 0 HD12 ILE A 97 -4.568 1.731 -5.542 1.00 1.66 H new ATOM 0 HD13 ILE A 97 -3.596 2.017 -4.079 1.00 1.66 H new ATOM 1446 N CYS A 98 -8.941 -0.398 -2.902 1.00 0.50 N ATOM 1447 CA CYS A 98 -9.894 -0.092 -1.838 1.00 0.48 C ATOM 1448 C CYS A 98 -9.196 -0.252 -0.479 1.00 0.52 C ATOM 1449 O CYS A 98 -8.717 -1.339 -0.138 1.00 0.59 O ATOM 1450 CB CYS A 98 -11.173 -0.933 -1.979 1.00 0.53 C ATOM 1451 SG CYS A 98 -10.860 -2.719 -1.943 1.00 1.52 S ATOM 0 H CYS A 98 -9.000 -1.352 -3.258 1.00 0.50 H new ATOM 0 HA CYS A 98 -10.225 0.944 -1.916 1.00 0.48 H new ATOM 0 HB2 CYS A 98 -11.861 -0.675 -1.174 1.00 0.53 H new ATOM 0 HB3 CYS A 98 -11.668 -0.676 -2.916 1.00 0.53 H new ATOM 0 HG CYS A 98 -9.674 -2.961 -2.418 1.00 1.52 H new ATOM 1457 N ALA A 99 -9.122 0.826 0.304 1.00 0.53 N ATOM 1458 CA ALA A 99 -8.458 0.805 1.602 1.00 0.59 C ATOM 1459 C ALA A 99 -9.357 0.129 2.648 1.00 0.68 C ATOM 1460 O ALA A 99 -10.501 0.544 2.845 1.00 0.80 O ATOM 1461 CB ALA A 99 -8.094 2.244 1.995 1.00 0.65 C ATOM 0 H ALA A 99 -9.519 1.732 0.055 1.00 0.53 H new ATOM 0 HA ALA A 99 -7.540 0.220 1.549 1.00 0.59 H new ATOM 0 HB1 ALA A 99 -7.596 2.242 2.965 1.00 0.65 H new ATOM 0 HB2 ALA A 99 -7.426 2.668 1.245 1.00 0.65 H new ATOM 0 HB3 ALA A 99 -9.001 2.846 2.054 1.00 0.65 H new ATOM 1467 N THR A 100 -8.830 -0.898 3.314 1.00 0.73 N ATOM 1468 CA THR A 100 -9.509 -1.718 4.343 1.00 0.88 C ATOM 1469 C THR A 100 -8.830 -1.635 5.715 1.00 0.86 C ATOM 1470 O THR A 100 -9.327 -2.204 6.693 1.00 0.95 O ATOM 1471 CB THR A 100 -9.560 -3.189 3.878 1.00 1.14 C ATOM 1472 OG1 THR A 100 -8.274 -3.588 3.448 1.00 2.38 O ATOM 1473 CG2 THR A 100 -10.516 -3.392 2.703 1.00 1.55 C ATOM 0 H THR A 100 -7.871 -1.204 3.150 1.00 0.73 H new ATOM 0 HA THR A 100 -10.516 -1.318 4.460 1.00 0.88 H new ATOM 0 HB THR A 100 -9.908 -3.780 4.725 1.00 1.14 H new ATOM 0 HG1 THR A 100 -7.633 -3.470 4.180 1.00 2.38 H new ATOM 0 HG21 THR A 100 -10.517 -4.442 2.412 1.00 1.55 H new ATOM 0 HG22 THR A 100 -11.523 -3.096 2.998 1.00 1.55 H new ATOM 0 HG23 THR A 100 -10.191 -2.782 1.860 1.00 1.55 H new ATOM 1481 N HIS A 101 -7.738 -0.872 5.814 1.00 0.78 N ATOM 1482 CA HIS A 101 -6.953 -0.618 7.020 1.00 0.80 C ATOM 1483 C HIS A 101 -6.455 0.835 7.028 1.00 0.73 C ATOM 1484 O HIS A 101 -5.972 1.315 5.999 1.00 0.71 O ATOM 1485 CB HIS A 101 -5.707 -1.530 7.038 1.00 0.92 C ATOM 1486 CG HIS A 101 -5.981 -3.002 6.888 1.00 1.20 C ATOM 1487 ND1 HIS A 101 -6.187 -3.672 5.703 1.00 1.29 N ATOM 1488 CD2 HIS A 101 -6.055 -3.925 7.891 1.00 1.74 C ATOM 1489 CE1 HIS A 101 -6.448 -4.954 5.986 1.00 1.58 C ATOM 1490 NE2 HIS A 101 -6.349 -5.168 7.312 1.00 1.87 N ATOM 0 H HIS A 101 -7.357 -0.386 5.002 1.00 0.78 H new ATOM 0 HA HIS A 101 -7.588 -0.812 7.884 1.00 0.80 H new ATOM 0 HB2 HIS A 101 -5.039 -1.219 6.235 1.00 0.92 H new ATOM 0 HB3 HIS A 101 -5.175 -1.371 7.976 1.00 0.92 H new ATOM 0 HD2 HIS A 101 -5.912 -3.732 8.944 1.00 1.74 H new ATOM 0 HE1 HIS A 101 -6.702 -5.708 5.256 1.00 1.58 H new ATOM 0 HE2 HIS A 101 -6.465 -6.057 7.798 1.00 1.87 H new ATOM 1498 N VAL A 102 -6.538 1.532 8.166 1.00 0.76 N ATOM 1499 CA VAL A 102 -5.796 2.794 8.361 1.00 0.82 C ATOM 1500 C VAL A 102 -4.330 2.455 8.633 1.00 0.88 C ATOM 1501 O VAL A 102 -4.016 1.315 8.974 1.00 0.88 O ATOM 1502 CB VAL A 102 -6.392 3.689 9.464 1.00 0.96 C ATOM 1503 CG1 VAL A 102 -7.721 4.266 8.980 1.00 1.46 C ATOM 1504 CG2 VAL A 102 -6.581 2.992 10.815 1.00 1.64 C ATOM 0 H VAL A 102 -7.106 1.251 8.965 1.00 0.76 H new ATOM 0 HA VAL A 102 -5.879 3.386 7.450 1.00 0.82 H new ATOM 0 HB VAL A 102 -5.664 4.479 9.645 1.00 0.96 H new ATOM 0 HG11 VAL A 102 -8.147 4.900 9.757 1.00 1.46 H new ATOM 0 HG12 VAL A 102 -7.555 4.858 8.080 1.00 1.46 H new ATOM 0 HG13 VAL A 102 -8.411 3.452 8.757 1.00 1.46 H new ATOM 0 HG21 VAL A 102 -7.005 3.696 11.531 1.00 1.64 H new ATOM 0 HG22 VAL A 102 -7.256 2.144 10.696 1.00 1.64 H new ATOM 0 HG23 VAL A 102 -5.617 2.639 11.180 1.00 1.64 H new ATOM 1514 N GLY A 103 -3.398 3.403 8.505 1.00 1.01 N ATOM 1515 CA GLY A 103 -1.957 3.069 8.531 1.00 1.17 C ATOM 1516 C GLY A 103 -1.493 2.377 9.824 1.00 1.25 C ATOM 1517 O GLY A 103 -0.733 1.405 9.782 1.00 1.33 O ATOM 0 H GLY A 103 -3.602 4.395 8.384 1.00 1.01 H new ATOM 0 HA2 GLY A 103 -1.730 2.421 7.684 1.00 1.17 H new ATOM 0 HA3 GLY A 103 -1.381 3.984 8.395 1.00 1.17 H new ATOM 1521 N ALA A 104 -2.049 2.784 10.967 1.00 1.31 N ATOM 1522 CA ALA A 104 -1.834 2.155 12.271 1.00 1.40 C ATOM 1523 C ALA A 104 -2.353 0.698 12.361 1.00 1.24 C ATOM 1524 O ALA A 104 -1.778 -0.110 13.093 1.00 1.26 O ATOM 1525 CB ALA A 104 -2.527 3.056 13.302 1.00 1.63 C ATOM 0 H ALA A 104 -2.680 3.584 11.012 1.00 1.31 H new ATOM 0 HA ALA A 104 -0.763 2.067 12.456 1.00 1.40 H new ATOM 0 HB1 ALA A 104 -2.399 2.634 14.299 1.00 1.63 H new ATOM 0 HB2 ALA A 104 -2.085 4.052 13.270 1.00 1.63 H new ATOM 0 HB3 ALA A 104 -3.590 3.123 13.070 1.00 1.63 H new ATOM 1531 N ASP A 105 -3.439 0.373 11.652 1.00 1.15 N ATOM 1532 CA ASP A 105 -4.015 -0.974 11.479 1.00 1.12 C ATOM 1533 C ASP A 105 -3.300 -1.866 10.435 1.00 0.99 C ATOM 1534 O ASP A 105 -3.612 -3.051 10.326 1.00 1.12 O ATOM 1535 CB ASP A 105 -5.523 -0.825 11.208 1.00 1.26 C ATOM 1536 CG ASP A 105 -6.333 -2.130 11.228 1.00 1.56 C ATOM 1537 OD1 ASP A 105 -6.098 -3.019 12.083 1.00 2.15 O ATOM 1538 OD2 ASP A 105 -7.280 -2.239 10.414 1.00 2.28 O ATOM 0 H ASP A 105 -3.975 1.082 11.152 1.00 1.15 H new ATOM 0 HA ASP A 105 -3.854 -1.523 12.407 1.00 1.12 H new ATOM 0 HB2 ASP A 105 -5.942 -0.147 11.951 1.00 1.26 H new ATOM 0 HB3 ASP A 105 -5.654 -0.352 10.235 1.00 1.26 H new ATOM 1543 N THR A 106 -2.368 -1.340 9.628 1.00 0.89 N ATOM 1544 CA THR A 106 -1.721 -2.132 8.559 1.00 0.91 C ATOM 1545 C THR A 106 -0.776 -3.207 9.102 1.00 0.97 C ATOM 1546 O THR A 106 -0.190 -3.053 10.176 1.00 0.98 O ATOM 1547 CB THR A 106 -0.954 -1.282 7.531 1.00 0.97 C ATOM 1548 OG1 THR A 106 0.110 -0.569 8.117 1.00 1.43 O ATOM 1549 CG2 THR A 106 -1.846 -0.327 6.749 1.00 1.47 C ATOM 0 H THR A 106 -2.043 -0.375 9.690 1.00 0.89 H new ATOM 0 HA THR A 106 -2.560 -2.609 8.053 1.00 0.91 H new ATOM 0 HB THR A 106 -0.546 -2.003 6.823 1.00 0.97 H new ATOM 0 HG1 THR A 106 -0.243 0.206 8.601 1.00 1.43 H new ATOM 0 HG21 THR A 106 -1.240 0.241 6.043 1.00 1.47 H new ATOM 0 HG22 THR A 106 -2.600 -0.896 6.205 1.00 1.47 H new ATOM 0 HG23 THR A 106 -2.337 0.359 7.439 1.00 1.47 H new ATOM 1557 N THR A 107 -0.549 -4.278 8.331 1.00 1.08 N ATOM 1558 CA THR A 107 0.378 -5.361 8.730 1.00 1.14 C ATOM 1559 C THR A 107 1.807 -4.856 9.003 1.00 1.05 C ATOM 1560 O THR A 107 2.457 -5.362 9.913 1.00 1.04 O ATOM 1561 CB THR A 107 0.350 -6.536 7.731 1.00 1.35 C ATOM 1562 OG1 THR A 107 1.225 -7.575 8.126 1.00 1.86 O ATOM 1563 CG2 THR A 107 0.764 -6.156 6.309 1.00 1.78 C ATOM 0 H THR A 107 -0.993 -4.424 7.424 1.00 1.08 H new ATOM 0 HA THR A 107 0.013 -5.744 9.683 1.00 1.14 H new ATOM 0 HB THR A 107 -0.693 -6.853 7.735 1.00 1.35 H new ATOM 0 HG1 THR A 107 1.182 -8.304 7.473 1.00 1.86 H new ATOM 0 HG21 THR A 107 0.718 -7.037 5.669 1.00 1.78 H new ATOM 0 HG22 THR A 107 0.088 -5.392 5.925 1.00 1.78 H new ATOM 0 HG23 THR A 107 1.782 -5.767 6.318 1.00 1.78 H new ATOM 1571 N LEU A 108 2.270 -3.787 8.336 1.00 1.01 N ATOM 1572 CA LEU A 108 3.559 -3.139 8.636 1.00 0.96 C ATOM 1573 C LEU A 108 3.636 -2.656 10.090 1.00 0.89 C ATOM 1574 O LEU A 108 4.598 -2.952 10.798 1.00 0.91 O ATOM 1575 CB LEU A 108 3.773 -1.909 7.737 1.00 1.06 C ATOM 1576 CG LEU A 108 4.218 -2.160 6.290 1.00 0.80 C ATOM 1577 CD1 LEU A 108 3.159 -2.841 5.432 1.00 1.60 C ATOM 1578 CD2 LEU A 108 4.509 -0.794 5.689 1.00 0.74 C ATOM 0 H LEU A 108 1.760 -3.346 7.571 1.00 1.01 H new ATOM 0 HA LEU A 108 4.325 -3.893 8.457 1.00 0.96 H new ATOM 0 HB2 LEU A 108 2.840 -1.346 7.709 1.00 1.06 H new ATOM 0 HB3 LEU A 108 4.517 -1.270 8.212 1.00 1.06 H new ATOM 0 HG LEU A 108 5.079 -2.828 6.307 1.00 0.80 H new ATOM 0 HD11 LEU A 108 3.546 -2.985 4.423 1.00 1.60 H new ATOM 0 HD12 LEU A 108 2.906 -3.809 5.866 1.00 1.60 H new ATOM 0 HD13 LEU A 108 2.266 -2.217 5.393 1.00 1.60 H new ATOM 0 HD21 LEU A 108 4.832 -0.913 4.655 1.00 0.74 H new ATOM 0 HD22 LEU A 108 3.607 -0.183 5.720 1.00 0.74 H new ATOM 0 HD23 LEU A 108 5.298 -0.305 6.261 1.00 0.74 H new ATOM 1590 N SER A 109 2.605 -1.928 10.529 1.00 0.89 N ATOM 1591 CA SER A 109 2.466 -1.447 11.906 1.00 0.97 C ATOM 1592 C SER A 109 2.325 -2.616 12.881 1.00 0.97 C ATOM 1593 O SER A 109 2.860 -2.567 13.984 1.00 1.02 O ATOM 1594 CB SER A 109 1.256 -0.514 12.021 1.00 1.17 C ATOM 1595 OG SER A 109 1.503 0.679 11.294 1.00 1.72 O ATOM 0 H SER A 109 1.830 -1.652 9.926 1.00 0.89 H new ATOM 0 HA SER A 109 3.368 -0.892 12.166 1.00 0.97 H new ATOM 0 HB2 SER A 109 0.365 -1.009 11.635 1.00 1.17 H new ATOM 0 HB3 SER A 109 1.063 -0.280 13.068 1.00 1.17 H new ATOM 0 HG SER A 109 0.714 0.905 10.758 1.00 1.72 H new ATOM 1601 N GLN A 110 1.675 -3.702 12.460 1.00 0.98 N ATOM 1602 CA GLN A 110 1.475 -4.887 13.308 1.00 1.05 C ATOM 1603 C GLN A 110 2.799 -5.621 13.590 1.00 1.02 C ATOM 1604 O GLN A 110 3.060 -6.028 14.722 1.00 1.12 O ATOM 1605 CB GLN A 110 0.441 -5.809 12.641 1.00 1.13 C ATOM 1606 CG GLN A 110 -0.155 -6.857 13.591 1.00 1.26 C ATOM 1607 CD GLN A 110 -1.162 -6.231 14.544 1.00 1.50 C ATOM 1608 OE1 GLN A 110 -0.969 -6.164 15.754 1.00 1.65 O ATOM 1609 NE2 GLN A 110 -2.250 -5.720 14.020 1.00 1.68 N ATOM 0 H GLN A 110 1.273 -3.789 11.527 1.00 0.98 H new ATOM 0 HA GLN A 110 1.095 -4.569 14.279 1.00 1.05 H new ATOM 0 HB2 GLN A 110 -0.366 -5.200 12.233 1.00 1.13 H new ATOM 0 HB3 GLN A 110 0.911 -6.319 11.800 1.00 1.13 H new ATOM 0 HG2 GLN A 110 -0.640 -7.642 13.011 1.00 1.26 H new ATOM 0 HG3 GLN A 110 0.644 -7.329 14.162 1.00 1.26 H new ATOM 0 HE21 GLN A 110 -2.407 -5.778 13.014 1.00 1.68 H new ATOM 0 HE22 GLN A 110 -2.939 -5.265 14.619 1.00 1.68 H new ATOM 1618 N ILE A 111 3.666 -5.735 12.578 1.00 0.95 N ATOM 1619 CA ILE A 111 5.022 -6.297 12.701 1.00 0.96 C ATOM 1620 C ILE A 111 5.843 -5.508 13.734 1.00 1.00 C ATOM 1621 O ILE A 111 6.341 -6.096 14.697 1.00 1.12 O ATOM 1622 CB ILE A 111 5.712 -6.347 11.313 1.00 1.00 C ATOM 1623 CG1 ILE A 111 4.999 -7.360 10.385 1.00 1.09 C ATOM 1624 CG2 ILE A 111 7.204 -6.719 11.428 1.00 1.10 C ATOM 1625 CD1 ILE A 111 5.291 -7.133 8.895 1.00 1.18 C ATOM 0 H ILE A 111 3.443 -5.434 11.629 1.00 0.95 H new ATOM 0 HA ILE A 111 4.953 -7.322 13.065 1.00 0.96 H new ATOM 0 HB ILE A 111 5.640 -5.347 10.885 1.00 1.00 H new ATOM 0 HG12 ILE A 111 5.306 -8.370 10.658 1.00 1.09 H new ATOM 0 HG13 ILE A 111 3.923 -7.298 10.550 1.00 1.09 H new ATOM 0 HG21 ILE A 111 7.651 -6.743 10.434 1.00 1.10 H new ATOM 0 HG22 ILE A 111 7.718 -5.977 12.039 1.00 1.10 H new ATOM 0 HG23 ILE A 111 7.300 -7.700 11.893 1.00 1.10 H new ATOM 0 HD11 ILE A 111 4.760 -7.878 8.303 1.00 1.18 H new ATOM 0 HD12 ILE A 111 4.959 -6.136 8.607 1.00 1.18 H new ATOM 0 HD13 ILE A 111 6.362 -7.224 8.716 1.00 1.18 H new ATOM 1637 N VAL A 112 5.958 -4.181 13.579 1.00 0.99 N ATOM 1638 CA VAL A 112 6.809 -3.362 14.468 1.00 1.10 C ATOM 1639 C VAL A 112 6.273 -3.222 15.894 1.00 1.27 C ATOM 1640 O VAL A 112 7.059 -2.957 16.803 1.00 1.45 O ATOM 1641 CB VAL A 112 7.125 -1.969 13.899 1.00 1.11 C ATOM 1642 CG1 VAL A 112 7.922 -2.085 12.603 1.00 0.98 C ATOM 1643 CG2 VAL A 112 5.881 -1.120 13.639 1.00 1.16 C ATOM 0 H VAL A 112 5.477 -3.650 12.852 1.00 0.99 H new ATOM 0 HA VAL A 112 7.736 -3.933 14.519 1.00 1.10 H new ATOM 0 HB VAL A 112 7.712 -1.465 14.666 1.00 1.11 H new ATOM 0 HG11 VAL A 112 8.135 -1.088 12.217 1.00 0.98 H new ATOM 0 HG12 VAL A 112 8.859 -2.607 12.798 1.00 0.98 H new ATOM 0 HG13 VAL A 112 7.342 -2.643 11.868 1.00 0.98 H new ATOM 0 HG21 VAL A 112 6.179 -0.151 13.239 1.00 1.16 H new ATOM 0 HG22 VAL A 112 5.238 -1.628 12.920 1.00 1.16 H new ATOM 0 HG23 VAL A 112 5.338 -0.975 14.573 1.00 1.16 H new