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 106 THR OG1 : rot -92:sc= 1.32 USER MOD Set 1.2: A 109 SER OG : rot 133:sc= 1.27 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 79:sc= 1.22 USER MOD Single : A 11 GLN : amide:sc= -0.66 X(o=-0.66,f=-0.94) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.0321 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= -0.0657 X(o=-0.066,f=0) USER MOD Single : A 38 GLN : amide:sc= 0 K(o=0,f=-2.5!) 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=-0.00156 X(o=-0.0016,f=0) USER MOD Single : A 62 SER OG : rot 24:sc= 0.565 USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= -0.0818 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 179:sc= 2.38 (180deg=2.38) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 160:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 90:sc= 1.13 USER MOD Single : A 90 ASN : amide:sc= 0.654 K(o=0.65,f=-3!) USER MOD Single : A 91 GLN : amide:sc=-0.00599 X(o=-0.006,f=0) USER MOD Single : A 92 ASN : amide:sc= 0.382 K(o=0.38,f=-0.26) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 98 CYS SG : rot -14:sc= 0.295 USER MOD Single : A 100 THR OG1 : rot -26:sc= 0.153 USER MOD Single : A 101 HIS : no HE2:sc= 0.474 K(o=0.47,f=-5!) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 27 N ALA A 3 16.785 -2.576 11.246 1.00 1.56 N ATOM 28 CA ALA A 3 15.705 -2.568 10.262 1.00 1.45 C ATOM 29 C ALA A 3 14.347 -2.038 10.782 1.00 1.25 C ATOM 30 O ALA A 3 13.454 -1.788 9.970 1.00 1.12 O ATOM 31 CB ALA A 3 15.567 -3.991 9.705 1.00 1.49 C ATOM 0 HA ALA A 3 15.980 -1.857 9.483 1.00 1.45 H new ATOM 0 HB1 ALA A 3 14.766 -4.016 8.966 1.00 1.49 H new ATOM 0 HB2 ALA A 3 16.504 -4.290 9.235 1.00 1.49 H new ATOM 0 HB3 ALA A 3 15.333 -4.679 10.518 1.00 1.49 H new ATOM 37 N LEU A 4 14.162 -1.844 12.099 1.00 1.34 N ATOM 38 CA LEU A 4 12.839 -1.577 12.690 1.00 1.15 C ATOM 39 C LEU A 4 12.158 -0.312 12.147 1.00 1.04 C ATOM 40 O LEU A 4 10.951 -0.329 11.890 1.00 1.05 O ATOM 41 CB LEU A 4 12.936 -1.522 14.230 1.00 1.51 C ATOM 42 CG LEU A 4 11.581 -1.365 14.945 1.00 1.59 C ATOM 43 CD1 LEU A 4 10.687 -2.567 14.678 1.00 1.65 C ATOM 44 CD2 LEU A 4 11.769 -1.247 16.450 1.00 1.98 C ATOM 0 H LEU A 4 14.920 -1.868 12.781 1.00 1.34 H new ATOM 0 HA LEU A 4 12.203 -2.410 12.392 1.00 1.15 H new ATOM 0 HB2 LEU A 4 13.417 -2.433 14.585 1.00 1.51 H new ATOM 0 HB3 LEU A 4 13.581 -0.690 14.512 1.00 1.51 H new ATOM 0 HG LEU A 4 11.118 -0.458 14.556 1.00 1.59 H new ATOM 0 HD11 LEU A 4 9.735 -2.434 15.193 1.00 1.65 H new ATOM 0 HD12 LEU A 4 10.510 -2.658 13.606 1.00 1.65 H new ATOM 0 HD13 LEU A 4 11.174 -3.471 15.043 1.00 1.65 H new ATOM 0 HD21 LEU A 4 10.797 -1.137 16.931 1.00 1.98 H new ATOM 0 HD22 LEU A 4 12.261 -2.144 16.827 1.00 1.98 H new ATOM 0 HD23 LEU A 4 12.384 -0.375 16.673 1.00 1.98 H new ATOM 56 N ALA A 5 12.890 0.786 11.940 1.00 1.26 N ATOM 57 CA ALA A 5 12.353 1.978 11.290 1.00 1.33 C ATOM 58 C ALA A 5 12.144 1.832 9.773 1.00 1.01 C ATOM 59 O ALA A 5 11.383 2.612 9.198 1.00 1.12 O ATOM 60 CB ALA A 5 13.310 3.138 11.577 1.00 1.75 C ATOM 0 H ALA A 5 13.868 0.871 12.218 1.00 1.26 H new ATOM 0 HA ALA A 5 11.359 2.156 11.700 1.00 1.33 H new ATOM 0 HB1 ALA A 5 12.935 4.045 11.103 1.00 1.75 H new ATOM 0 HB2 ALA A 5 13.381 3.294 12.654 1.00 1.75 H new ATOM 0 HB3 ALA A 5 14.297 2.902 11.179 1.00 1.75 H new ATOM 66 N LYS A 6 12.807 0.883 9.089 1.00 0.80 N ATOM 67 CA LYS A 6 12.815 0.848 7.618 1.00 0.72 C ATOM 68 C LYS A 6 11.451 0.443 7.062 1.00 0.74 C ATOM 69 O LYS A 6 10.942 1.131 6.186 1.00 0.80 O ATOM 70 CB LYS A 6 13.986 0.003 7.080 1.00 0.91 C ATOM 71 CG LYS A 6 14.199 0.304 5.584 1.00 1.14 C ATOM 72 CD LYS A 6 15.479 -0.310 5.000 1.00 1.52 C ATOM 73 CE LYS A 6 15.656 0.178 3.554 1.00 2.09 C ATOM 74 NZ LYS A 6 16.892 -0.357 2.936 1.00 2.42 N ATOM 0 H LYS A 6 13.341 0.134 9.530 1.00 0.80 H new ATOM 0 HA LYS A 6 12.992 1.859 7.251 1.00 0.72 H new ATOM 0 HB2 LYS A 6 14.895 0.226 7.639 1.00 0.91 H new ATOM 0 HB3 LYS A 6 13.777 -1.057 7.221 1.00 0.91 H new ATOM 0 HG2 LYS A 6 13.341 -0.068 5.023 1.00 1.14 H new ATOM 0 HG3 LYS A 6 14.229 1.384 5.442 1.00 1.14 H new ATOM 0 HD2 LYS A 6 16.342 -0.024 5.602 1.00 1.52 H new ATOM 0 HD3 LYS A 6 15.420 -1.398 5.025 1.00 1.52 H new ATOM 0 HE2 LYS A 6 14.793 -0.125 2.961 1.00 2.09 H new ATOM 0 HE3 LYS A 6 15.686 1.268 3.540 1.00 2.09 H new ATOM 0 HZ1 LYS A 6 16.974 -0.004 1.961 1.00 2.42 H new ATOM 0 HZ2 LYS A 6 17.718 -0.047 3.487 1.00 2.42 H new ATOM 0 HZ3 LYS A 6 16.853 -1.396 2.926 1.00 2.42 H new ATOM 88 N LEU A 7 10.800 -0.564 7.653 1.00 0.82 N ATOM 89 CA LEU A 7 9.420 -0.980 7.332 1.00 1.03 C ATOM 90 C LEU A 7 8.462 0.230 7.271 1.00 1.22 C ATOM 91 O LEU A 7 7.761 0.435 6.283 1.00 1.52 O ATOM 92 CB LEU A 7 8.929 -1.983 8.406 1.00 1.00 C ATOM 93 CG LEU A 7 9.378 -3.455 8.289 1.00 0.98 C ATOM 94 CD1 LEU A 7 8.695 -4.161 7.117 1.00 1.25 C ATOM 95 CD2 LEU A 7 10.891 -3.637 8.174 1.00 0.97 C ATOM 0 H LEU A 7 11.224 -1.130 8.388 1.00 0.82 H new ATOM 0 HA LEU A 7 9.423 -1.451 6.349 1.00 1.03 H new ATOM 0 HB2 LEU A 7 9.251 -1.613 9.379 1.00 1.00 H new ATOM 0 HB3 LEU A 7 7.839 -1.966 8.404 1.00 1.00 H new ATOM 0 HG LEU A 7 9.068 -3.913 9.229 1.00 0.98 H new ATOM 0 HD11 LEU A 7 9.036 -5.195 7.066 1.00 1.25 H new ATOM 0 HD12 LEU A 7 7.615 -4.142 7.260 1.00 1.25 H new ATOM 0 HD13 LEU A 7 8.947 -3.650 6.188 1.00 1.25 H new ATOM 0 HD21 LEU A 7 11.125 -4.699 8.096 1.00 0.97 H new ATOM 0 HD22 LEU A 7 11.253 -3.119 7.286 1.00 0.97 H new ATOM 0 HD23 LEU A 7 11.376 -3.223 9.058 1.00 0.97 H new ATOM 107 N ILE A 8 8.488 1.065 8.311 1.00 1.16 N ATOM 108 CA ILE A 8 7.688 2.295 8.409 1.00 1.33 C ATOM 109 C ILE A 8 8.185 3.403 7.460 1.00 1.10 C ATOM 110 O ILE A 8 7.383 4.198 6.963 1.00 1.12 O ATOM 111 CB ILE A 8 7.625 2.741 9.887 1.00 1.57 C ATOM 112 CG1 ILE A 8 6.917 1.686 10.774 1.00 1.91 C ATOM 113 CG2 ILE A 8 6.944 4.105 10.066 1.00 1.72 C ATOM 114 CD1 ILE A 8 5.460 1.352 10.408 1.00 2.23 C ATOM 0 H ILE A 8 9.077 0.905 9.128 1.00 1.16 H new ATOM 0 HA ILE A 8 6.673 2.085 8.072 1.00 1.33 H new ATOM 0 HB ILE A 8 8.662 2.839 10.210 1.00 1.57 H new ATOM 0 HG12 ILE A 8 7.498 0.764 10.739 1.00 1.91 H new ATOM 0 HG13 ILE A 8 6.938 2.037 11.806 1.00 1.91 H new ATOM 0 HG21 ILE A 8 6.928 4.368 11.124 1.00 1.72 H new ATOM 0 HG22 ILE A 8 7.497 4.863 9.512 1.00 1.72 H new ATOM 0 HG23 ILE A 8 5.922 4.054 9.689 1.00 1.72 H new ATOM 0 HD11 ILE A 8 5.074 0.603 11.099 1.00 2.23 H new ATOM 0 HD12 ILE A 8 4.852 2.254 10.474 1.00 2.23 H new ATOM 0 HD13 ILE A 8 5.421 0.962 9.391 1.00 2.23 H new ATOM 126 N SER A 9 9.478 3.438 7.130 1.00 0.94 N ATOM 127 CA SER A 9 10.066 4.432 6.225 1.00 0.83 C ATOM 128 C SER A 9 9.717 4.181 4.751 1.00 0.88 C ATOM 129 O SER A 9 9.641 5.146 3.990 1.00 0.92 O ATOM 130 CB SER A 9 11.585 4.493 6.411 1.00 0.85 C ATOM 131 OG SER A 9 11.909 4.813 7.757 1.00 1.06 O ATOM 0 H SER A 9 10.157 2.767 7.489 1.00 0.94 H new ATOM 0 HA SER A 9 9.629 5.394 6.491 1.00 0.83 H new ATOM 0 HB2 SER A 9 12.029 3.535 6.142 1.00 0.85 H new ATOM 0 HB3 SER A 9 12.010 5.240 5.741 1.00 0.85 H new ATOM 0 HG SER A 9 11.824 4.011 8.314 1.00 1.06 H new ATOM 137 N LEU A 10 9.420 2.930 4.354 1.00 1.02 N ATOM 138 CA LEU A 10 8.865 2.602 3.030 1.00 1.25 C ATOM 139 C LEU A 10 7.410 3.079 2.855 1.00 1.26 C ATOM 140 O LEU A 10 6.966 3.251 1.719 1.00 1.42 O ATOM 141 CB LEU A 10 8.911 1.081 2.752 1.00 1.55 C ATOM 142 CG LEU A 10 10.231 0.525 2.187 1.00 1.66 C ATOM 143 CD1 LEU A 10 11.268 0.279 3.273 1.00 2.13 C ATOM 144 CD2 LEU A 10 9.974 -0.823 1.512 1.00 1.49 C ATOM 0 H LEU A 10 9.560 2.113 4.948 1.00 1.02 H new ATOM 0 HA LEU A 10 9.497 3.132 2.318 1.00 1.25 H new ATOM 0 HB2 LEU A 10 8.691 0.557 3.682 1.00 1.55 H new ATOM 0 HB3 LEU A 10 8.111 0.838 2.052 1.00 1.55 H new ATOM 0 HG LEU A 10 10.607 1.271 1.487 1.00 1.66 H new ATOM 0 HD11 LEU A 10 12.180 -0.113 2.823 1.00 2.13 H new ATOM 0 HD12 LEU A 10 11.489 1.216 3.784 1.00 2.13 H new ATOM 0 HD13 LEU A 10 10.879 -0.443 3.991 1.00 2.13 H new ATOM 0 HD21 LEU A 10 10.910 -1.214 1.113 1.00 1.49 H new ATOM 0 HD22 LEU A 10 9.569 -1.524 2.242 1.00 1.49 H new ATOM 0 HD23 LEU A 10 9.259 -0.693 0.699 1.00 1.49 H new ATOM 156 N GLN A 11 6.646 3.296 3.932 1.00 1.22 N ATOM 157 CA GLN A 11 5.266 3.772 3.803 1.00 1.36 C ATOM 158 C GLN A 11 5.216 5.211 3.284 1.00 1.26 C ATOM 159 O GLN A 11 5.950 6.084 3.761 1.00 1.19 O ATOM 160 CB GLN A 11 4.496 3.671 5.113 1.00 1.48 C ATOM 161 CG GLN A 11 4.278 2.230 5.569 1.00 1.52 C ATOM 162 CD GLN A 11 3.149 2.183 6.584 1.00 1.90 C ATOM 163 OE1 GLN A 11 2.044 1.740 6.306 1.00 3.01 O ATOM 164 NE2 GLN A 11 3.333 2.710 7.768 1.00 1.91 N ATOM 0 H GLN A 11 6.957 3.151 4.893 1.00 1.22 H new ATOM 0 HA GLN A 11 4.785 3.117 3.076 1.00 1.36 H new ATOM 0 HB2 GLN A 11 5.037 4.213 5.888 1.00 1.48 H new ATOM 0 HB3 GLN A 11 3.529 4.160 4.998 1.00 1.48 H new ATOM 0 HG2 GLN A 11 4.038 1.599 4.713 1.00 1.52 H new ATOM 0 HG3 GLN A 11 5.193 1.835 6.009 1.00 1.52 H new ATOM 0 HE21 GLN A 11 4.246 3.086 8.023 1.00 1.91 H new ATOM 0 HE22 GLN A 11 2.563 2.745 8.436 1.00 1.91 H new ATOM 173 N ALA A 12 4.323 5.456 2.325 1.00 1.40 N ATOM 174 CA ALA A 12 4.129 6.767 1.718 1.00 1.28 C ATOM 175 C ALA A 12 3.568 7.799 2.715 1.00 1.23 C ATOM 176 O ALA A 12 2.841 7.454 3.654 1.00 1.86 O ATOM 177 CB ALA A 12 3.233 6.608 0.486 1.00 1.42 C ATOM 0 H ALA A 12 3.707 4.737 1.945 1.00 1.40 H new ATOM 0 HA ALA A 12 5.097 7.162 1.411 1.00 1.28 H new ATOM 0 HB1 ALA A 12 3.078 7.581 0.020 1.00 1.42 H new ATOM 0 HB2 ALA A 12 3.711 5.936 -0.227 1.00 1.42 H new ATOM 0 HB3 ALA A 12 2.271 6.193 0.787 1.00 1.42 H new ATOM 183 N THR A 13 3.906 9.066 2.481 1.00 1.31 N ATOM 184 CA THR A 13 3.454 10.236 3.254 1.00 1.29 C ATOM 185 C THR A 13 2.128 10.816 2.757 1.00 1.08 C ATOM 186 O THR A 13 1.437 11.514 3.501 1.00 1.08 O ATOM 187 CB THR A 13 4.516 11.346 3.192 1.00 1.47 C ATOM 188 OG1 THR A 13 5.018 11.485 1.881 1.00 2.53 O ATOM 189 CG2 THR A 13 5.715 11.037 4.087 1.00 2.44 C ATOM 0 H THR A 13 4.529 9.323 1.716 1.00 1.31 H new ATOM 0 HA THR A 13 3.304 9.884 4.275 1.00 1.29 H new ATOM 0 HB THR A 13 4.020 12.257 3.526 1.00 1.47 H new ATOM 0 HG1 THR A 13 5.691 12.197 1.862 1.00 2.53 H new ATOM 0 HG21 THR A 13 6.442 11.846 4.014 1.00 2.44 H new ATOM 0 HG22 THR A 13 5.382 10.940 5.120 1.00 2.44 H new ATOM 0 HG23 THR A 13 6.178 10.104 3.766 1.00 2.44 H new ATOM 197 N GLU A 14 1.755 10.557 1.504 1.00 0.98 N ATOM 198 CA GLU A 14 0.562 11.109 0.853 1.00 0.85 C ATOM 199 C GLU A 14 -0.238 10.048 0.076 1.00 0.75 C ATOM 200 O GLU A 14 0.298 9.005 -0.308 1.00 0.79 O ATOM 201 CB GLU A 14 0.956 12.318 -0.019 1.00 0.94 C ATOM 202 CG GLU A 14 1.829 12.020 -1.246 1.00 1.06 C ATOM 203 CD GLU A 14 3.276 11.647 -0.916 1.00 2.03 C ATOM 204 OE1 GLU A 14 4.129 12.557 -0.758 1.00 2.53 O ATOM 205 OE2 GLU A 14 3.606 10.439 -0.843 1.00 3.53 O ATOM 0 H GLU A 14 2.289 9.939 0.893 1.00 0.98 H new ATOM 0 HA GLU A 14 -0.119 11.458 1.630 1.00 0.85 H new ATOM 0 HB2 GLU A 14 0.043 12.805 -0.360 1.00 0.94 H new ATOM 0 HB3 GLU A 14 1.484 13.035 0.610 1.00 0.94 H new ATOM 0 HG2 GLU A 14 1.376 11.205 -1.810 1.00 1.06 H new ATOM 0 HG3 GLU A 14 1.831 12.895 -1.896 1.00 1.06 H new ATOM 212 N ALA A 15 -1.530 10.301 -0.147 1.00 0.68 N ATOM 213 CA ALA A 15 -2.432 9.433 -0.914 1.00 0.64 C ATOM 214 C ALA A 15 -3.418 10.239 -1.779 1.00 0.61 C ATOM 215 O ALA A 15 -3.729 11.387 -1.457 1.00 0.71 O ATOM 216 CB ALA A 15 -3.167 8.501 0.062 1.00 0.68 C ATOM 0 H ALA A 15 -1.992 11.138 0.210 1.00 0.68 H new ATOM 0 HA ALA A 15 -1.842 8.838 -1.611 1.00 0.64 H new ATOM 0 HB1 ALA A 15 -3.841 7.850 -0.495 1.00 0.68 H new ATOM 0 HB2 ALA A 15 -2.441 7.894 0.603 1.00 0.68 H new ATOM 0 HB3 ALA A 15 -3.741 9.097 0.771 1.00 0.68 H new ATOM 222 N THR A 16 -3.952 9.619 -2.836 1.00 0.56 N ATOM 223 CA THR A 16 -4.951 10.222 -3.738 1.00 0.54 C ATOM 224 C THR A 16 -6.292 9.485 -3.659 1.00 0.50 C ATOM 225 O THR A 16 -6.418 8.348 -4.120 1.00 0.56 O ATOM 226 CB THR A 16 -4.429 10.294 -5.182 1.00 0.65 C ATOM 227 OG1 THR A 16 -3.215 11.017 -5.205 1.00 0.83 O ATOM 228 CG2 THR A 16 -5.411 11.024 -6.101 1.00 0.71 C ATOM 0 H THR A 16 -3.700 8.666 -3.098 1.00 0.56 H new ATOM 0 HA THR A 16 -5.123 11.245 -3.403 1.00 0.54 H new ATOM 0 HB THR A 16 -4.296 9.270 -5.533 1.00 0.65 H new ATOM 0 HG1 THR A 16 -2.879 11.063 -6.124 1.00 0.83 H new ATOM 0 HG21 THR A 16 -5.008 11.055 -7.113 1.00 0.71 H new ATOM 0 HG22 THR A 16 -6.365 10.497 -6.106 1.00 0.71 H new ATOM 0 HG23 THR A 16 -5.561 12.041 -5.739 1.00 0.71 H new ATOM 236 N ILE A 17 -7.304 10.146 -3.086 1.00 0.47 N ATOM 237 CA ILE A 17 -8.663 9.632 -2.874 1.00 0.55 C ATOM 238 C ILE A 17 -9.542 10.004 -4.070 1.00 0.64 C ATOM 239 O ILE A 17 -9.540 11.161 -4.481 1.00 0.75 O ATOM 240 CB ILE A 17 -9.276 10.223 -1.573 1.00 0.64 C ATOM 241 CG1 ILE A 17 -8.372 10.003 -0.334 1.00 0.65 C ATOM 242 CG2 ILE A 17 -10.677 9.623 -1.340 1.00 0.77 C ATOM 243 CD1 ILE A 17 -8.910 10.600 0.976 1.00 0.77 C ATOM 0 H ILE A 17 -7.193 11.099 -2.741 1.00 0.47 H new ATOM 0 HA ILE A 17 -8.615 8.548 -2.775 1.00 0.55 H new ATOM 0 HB ILE A 17 -9.358 11.302 -1.708 1.00 0.64 H new ATOM 0 HG12 ILE A 17 -8.226 8.932 -0.195 1.00 0.65 H new ATOM 0 HG13 ILE A 17 -7.392 10.434 -0.537 1.00 0.65 H new ATOM 0 HG21 ILE A 17 -11.104 10.039 -0.427 1.00 0.77 H new ATOM 0 HG22 ILE A 17 -11.321 9.865 -2.185 1.00 0.77 H new ATOM 0 HG23 ILE A 17 -10.597 8.540 -1.242 1.00 0.77 H new ATOM 0 HD11 ILE A 17 -8.209 10.394 1.785 1.00 0.77 H new ATOM 0 HD12 ILE A 17 -9.028 11.678 0.863 1.00 0.77 H new ATOM 0 HD13 ILE A 17 -9.875 10.152 1.211 1.00 0.77 H new ATOM 255 N VAL A 18 -10.354 9.084 -4.598 1.00 0.66 N ATOM 256 CA VAL A 18 -11.413 9.438 -5.561 1.00 0.93 C ATOM 257 C VAL A 18 -12.741 9.593 -4.820 1.00 1.36 C ATOM 258 O VAL A 18 -13.273 8.642 -4.246 1.00 1.43 O ATOM 259 CB VAL A 18 -11.518 8.467 -6.751 1.00 1.19 C ATOM 260 CG1 VAL A 18 -10.397 8.726 -7.751 1.00 1.52 C ATOM 261 CG2 VAL A 18 -11.474 6.989 -6.375 1.00 2.47 C ATOM 0 H VAL A 18 -10.303 8.089 -4.379 1.00 0.66 H new ATOM 0 HA VAL A 18 -11.142 10.392 -6.013 1.00 0.93 H new ATOM 0 HB VAL A 18 -12.500 8.665 -7.180 1.00 1.19 H new ATOM 0 HG11 VAL A 18 -10.486 8.031 -8.586 1.00 1.52 H new ATOM 0 HG12 VAL A 18 -10.469 9.749 -8.121 1.00 1.52 H new ATOM 0 HG13 VAL A 18 -9.433 8.584 -7.262 1.00 1.52 H new ATOM 0 HG21 VAL A 18 -11.554 6.382 -7.277 1.00 2.47 H new ATOM 0 HG22 VAL A 18 -10.532 6.769 -5.872 1.00 2.47 H new ATOM 0 HG23 VAL A 18 -12.304 6.759 -5.707 1.00 2.47 H new ATOM 271 N THR A 19 -13.279 10.812 -4.811 1.00 1.80 N ATOM 272 CA THR A 19 -14.522 11.153 -4.102 1.00 2.30 C ATOM 273 C THR A 19 -15.735 10.697 -4.911 1.00 2.51 C ATOM 274 O THR A 19 -15.793 10.929 -6.123 1.00 2.28 O ATOM 275 CB THR A 19 -14.564 12.654 -3.785 1.00 2.16 C ATOM 276 OG1 THR A 19 -13.458 12.961 -2.964 1.00 2.48 O ATOM 277 CG2 THR A 19 -15.805 13.082 -3.006 1.00 2.71 C ATOM 0 H THR A 19 -12.862 11.604 -5.301 1.00 1.80 H new ATOM 0 HA THR A 19 -14.550 10.623 -3.150 1.00 2.30 H new ATOM 0 HB THR A 19 -14.562 13.174 -4.743 1.00 2.16 H new ATOM 0 HG1 THR A 19 -13.465 13.917 -2.750 1.00 2.48 H new ATOM 0 HG21 THR A 19 -15.765 14.155 -2.819 1.00 2.71 H new ATOM 0 HG22 THR A 19 -16.698 12.848 -3.586 1.00 2.71 H new ATOM 0 HG23 THR A 19 -15.840 12.549 -2.056 1.00 2.71 H new ATOM 391 N LEU A 27 -16.005 10.487 -9.167 1.00 3.88 N ATOM 392 CA LEU A 27 -14.581 10.307 -9.493 1.00 2.83 C ATOM 393 C LEU A 27 -13.784 11.628 -9.476 1.00 2.33 C ATOM 394 O LEU A 27 -12.959 11.893 -10.350 1.00 2.67 O ATOM 395 CB LEU A 27 -14.389 9.432 -10.756 1.00 2.64 C ATOM 396 CG LEU A 27 -14.572 7.916 -10.529 1.00 3.02 C ATOM 397 CD1 LEU A 27 -16.033 7.482 -10.376 1.00 3.60 C ATOM 398 CD2 LEU A 27 -13.995 7.154 -11.720 1.00 3.19 C ATOM 0 HA LEU A 27 -14.128 9.734 -8.684 1.00 2.83 H new ATOM 0 HB2 LEU A 27 -15.097 9.759 -11.518 1.00 2.64 H new ATOM 0 HB3 LEU A 27 -13.389 9.607 -11.153 1.00 2.64 H new ATOM 0 HG LEU A 27 -14.056 7.691 -9.596 1.00 3.02 H new ATOM 0 HD11 LEU A 27 -16.078 6.404 -10.220 1.00 3.60 H new ATOM 0 HD12 LEU A 27 -16.476 7.991 -9.520 1.00 3.60 H new ATOM 0 HD13 LEU A 27 -16.586 7.741 -11.279 1.00 3.60 H new ATOM 0 HD21 LEU A 27 -14.123 6.083 -11.563 1.00 3.19 H new ATOM 0 HD22 LEU A 27 -14.516 7.452 -12.630 1.00 3.19 H new ATOM 0 HD23 LEU A 27 -12.934 7.382 -11.819 1.00 3.19 H new ATOM 410 N SER A 28 -14.030 12.460 -8.459 1.00 1.83 N ATOM 411 CA SER A 28 -13.320 13.729 -8.247 1.00 1.43 C ATOM 412 C SER A 28 -12.123 13.499 -7.327 1.00 1.28 C ATOM 413 O SER A 28 -12.306 13.167 -6.153 1.00 1.81 O ATOM 414 CB SER A 28 -14.290 14.769 -7.675 1.00 1.45 C ATOM 415 OG SER A 28 -13.614 15.942 -7.264 1.00 1.53 O ATOM 0 H SER A 28 -14.737 12.270 -7.749 1.00 1.83 H new ATOM 0 HA SER A 28 -12.941 14.112 -9.195 1.00 1.43 H new ATOM 0 HB2 SER A 28 -15.037 15.023 -8.427 1.00 1.45 H new ATOM 0 HB3 SER A 28 -14.825 14.341 -6.827 1.00 1.45 H new ATOM 0 HG SER A 28 -14.262 16.584 -6.906 1.00 1.53 H new ATOM 421 N GLU A 29 -10.897 13.615 -7.848 1.00 0.91 N ATOM 422 CA GLU A 29 -9.701 13.214 -7.095 1.00 0.77 C ATOM 423 C GLU A 29 -9.222 14.284 -6.094 1.00 0.74 C ATOM 424 O GLU A 29 -9.156 15.471 -6.419 1.00 0.82 O ATOM 425 CB GLU A 29 -8.550 12.782 -8.023 1.00 0.83 C ATOM 426 CG GLU A 29 -8.960 11.924 -9.232 1.00 0.90 C ATOM 427 CD GLU A 29 -9.034 12.752 -10.522 1.00 1.56 C ATOM 428 OE1 GLU A 29 -10.024 13.501 -10.695 1.00 2.94 O ATOM 429 OE2 GLU A 29 -8.096 12.691 -11.354 1.00 1.98 O ATOM 0 H GLU A 29 -10.706 13.980 -8.781 1.00 0.91 H new ATOM 0 HA GLU A 29 -10.008 12.349 -6.508 1.00 0.77 H new ATOM 0 HB2 GLU A 29 -8.046 13.677 -8.389 1.00 0.83 H new ATOM 0 HB3 GLU A 29 -7.822 12.224 -7.434 1.00 0.83 H new ATOM 0 HG2 GLU A 29 -8.243 11.113 -9.362 1.00 0.90 H new ATOM 0 HG3 GLU A 29 -9.929 11.465 -9.039 1.00 0.90 H new ATOM 436 N GLU A 30 -8.826 13.854 -4.896 1.00 0.69 N ATOM 437 CA GLU A 30 -8.301 14.674 -3.794 1.00 0.69 C ATOM 438 C GLU A 30 -6.961 14.095 -3.306 1.00 0.65 C ATOM 439 O GLU A 30 -6.913 12.928 -2.915 1.00 0.75 O ATOM 440 CB GLU A 30 -9.283 14.669 -2.600 1.00 0.75 C ATOM 441 CG GLU A 30 -10.767 14.927 -2.905 1.00 0.89 C ATOM 442 CD GLU A 30 -11.129 16.392 -3.206 1.00 1.60 C ATOM 443 OE1 GLU A 30 -10.232 17.250 -3.362 1.00 2.70 O ATOM 444 OE2 GLU A 30 -12.343 16.724 -3.207 1.00 2.37 O ATOM 0 H GLU A 30 -8.864 12.865 -4.650 1.00 0.69 H new ATOM 0 HA GLU A 30 -8.169 15.691 -4.163 1.00 0.69 H new ATOM 0 HB2 GLU A 30 -9.204 13.702 -2.103 1.00 0.75 H new ATOM 0 HB3 GLU A 30 -8.950 15.422 -1.886 1.00 0.75 H new ATOM 0 HG2 GLU A 30 -11.058 14.315 -3.759 1.00 0.89 H new ATOM 0 HG3 GLU A 30 -11.360 14.590 -2.055 1.00 0.89 H new ATOM 451 N GLN A 31 -5.874 14.869 -3.259 1.00 0.69 N ATOM 452 CA GLN A 31 -4.609 14.455 -2.704 1.00 0.71 C ATOM 453 C GLN A 31 -4.502 14.922 -1.237 1.00 0.70 C ATOM 454 O GLN A 31 -4.799 16.075 -0.897 1.00 0.77 O ATOM 455 CB GLN A 31 -3.540 14.942 -3.672 1.00 0.88 C ATOM 456 CG GLN A 31 -2.158 14.929 -3.045 1.00 2.52 C ATOM 457 CD GLN A 31 -1.142 14.480 -4.075 1.00 2.09 C ATOM 458 OE1 GLN A 31 -0.392 13.526 -3.901 1.00 3.65 O ATOM 459 NE2 GLN A 31 -1.184 15.079 -5.235 1.00 1.74 N ATOM 0 H GLN A 31 -5.862 15.823 -3.618 1.00 0.69 H new ATOM 0 HA GLN A 31 -4.484 13.375 -2.621 1.00 0.71 H new ATOM 0 HB2 GLN A 31 -3.541 14.311 -4.561 1.00 0.88 H new ATOM 0 HB3 GLN A 31 -3.780 15.954 -3.999 1.00 0.88 H new ATOM 0 HG2 GLN A 31 -1.904 15.923 -2.677 1.00 2.52 H new ATOM 0 HG3 GLN A 31 -2.143 14.258 -2.186 1.00 2.52 H new ATOM 0 HE21 GLN A 31 -1.809 15.872 -5.377 1.00 1.74 H new ATOM 0 HE22 GLN A 31 -0.592 14.753 -5.999 1.00 1.74 H new ATOM 468 N VAL A 32 -4.102 13.999 -0.361 1.00 0.72 N ATOM 469 CA VAL A 32 -4.134 14.133 1.108 1.00 0.78 C ATOM 470 C VAL A 32 -2.858 13.614 1.781 1.00 0.83 C ATOM 471 O VAL A 32 -2.037 12.948 1.150 1.00 0.86 O ATOM 472 CB VAL A 32 -5.347 13.379 1.705 1.00 0.85 C ATOM 473 CG1 VAL A 32 -6.694 13.872 1.168 1.00 0.87 C ATOM 474 CG2 VAL A 32 -5.301 11.855 1.520 1.00 0.85 C ATOM 0 H VAL A 32 -3.730 13.098 -0.662 1.00 0.72 H new ATOM 0 HA VAL A 32 -4.216 15.201 1.307 1.00 0.78 H new ATOM 0 HB VAL A 32 -5.265 13.606 2.768 1.00 0.85 H new ATOM 0 HG11 VAL A 32 -7.500 13.301 1.628 1.00 0.87 H new ATOM 0 HG12 VAL A 32 -6.816 14.929 1.406 1.00 0.87 H new ATOM 0 HG13 VAL A 32 -6.726 13.738 0.087 1.00 0.87 H new ATOM 0 HG21 VAL A 32 -6.188 11.407 1.968 1.00 0.85 H new ATOM 0 HG22 VAL A 32 -5.272 11.618 0.456 1.00 0.85 H new ATOM 0 HG23 VAL A 32 -4.410 11.456 2.005 1.00 0.85 H new ATOM 484 N ASP A 33 -2.681 13.915 3.068 1.00 0.92 N ATOM 485 CA ASP A 33 -1.682 13.246 3.914 1.00 0.98 C ATOM 486 C ASP A 33 -2.236 11.884 4.372 1.00 0.93 C ATOM 487 O ASP A 33 -3.442 11.727 4.573 1.00 0.92 O ATOM 488 CB ASP A 33 -1.293 14.120 5.115 1.00 1.13 C ATOM 489 CG ASP A 33 -0.211 13.465 5.986 1.00 2.20 C ATOM 490 OD1 ASP A 33 -0.555 12.714 6.930 1.00 3.35 O ATOM 491 OD2 ASP A 33 0.991 13.735 5.757 1.00 3.06 O ATOM 0 H ASP A 33 -3.223 14.628 3.556 1.00 0.92 H new ATOM 0 HA ASP A 33 -0.775 13.085 3.332 1.00 0.98 H new ATOM 0 HB2 ASP A 33 -0.934 15.085 4.758 1.00 1.13 H new ATOM 0 HB3 ASP A 33 -2.177 14.314 5.722 1.00 1.13 H new ATOM 496 N VAL A 34 -1.360 10.898 4.574 1.00 0.94 N ATOM 497 CA VAL A 34 -1.728 9.522 4.957 1.00 0.91 C ATOM 498 C VAL A 34 -2.431 9.392 6.331 1.00 1.01 C ATOM 499 O VAL A 34 -2.939 8.323 6.672 1.00 1.15 O ATOM 500 CB VAL A 34 -0.491 8.619 4.792 1.00 0.97 C ATOM 501 CG1 VAL A 34 0.547 8.913 5.878 1.00 1.15 C ATOM 502 CG2 VAL A 34 -0.822 7.121 4.726 1.00 1.02 C ATOM 0 H VAL A 34 -0.353 11.030 4.475 1.00 0.94 H new ATOM 0 HA VAL A 34 -2.509 9.179 4.278 1.00 0.91 H new ATOM 0 HB VAL A 34 -0.063 8.867 3.820 1.00 0.97 H new ATOM 0 HG11 VAL A 34 1.411 8.263 5.741 1.00 1.15 H new ATOM 0 HG12 VAL A 34 0.861 9.954 5.809 1.00 1.15 H new ATOM 0 HG13 VAL A 34 0.109 8.731 6.859 1.00 1.15 H new ATOM 0 HG21 VAL A 34 0.099 6.550 4.610 1.00 1.02 H new ATOM 0 HG22 VAL A 34 -1.323 6.818 5.645 1.00 1.02 H new ATOM 0 HG23 VAL A 34 -1.477 6.930 3.876 1.00 1.02 H new ATOM 512 N GLU A 35 -2.527 10.460 7.133 1.00 1.02 N ATOM 513 CA GLU A 35 -3.391 10.517 8.332 1.00 1.10 C ATOM 514 C GLU A 35 -4.882 10.723 7.983 1.00 1.07 C ATOM 515 O GLU A 35 -5.773 10.243 8.690 1.00 1.22 O ATOM 516 CB GLU A 35 -2.907 11.668 9.229 1.00 1.23 C ATOM 517 CG GLU A 35 -3.688 11.795 10.545 1.00 1.55 C ATOM 518 CD GLU A 35 -3.028 12.793 11.502 1.00 2.18 C ATOM 519 OE1 GLU A 35 -1.949 12.468 12.061 1.00 2.70 O ATOM 520 OE2 GLU A 35 -3.589 13.892 11.737 1.00 3.30 O ATOM 0 H GLU A 35 -2.004 11.321 6.971 1.00 1.02 H new ATOM 0 HA GLU A 35 -3.316 9.559 8.847 1.00 1.10 H new ATOM 0 HB2 GLU A 35 -1.851 11.521 9.456 1.00 1.23 H new ATOM 0 HB3 GLU A 35 -2.987 12.605 8.678 1.00 1.23 H new ATOM 0 HG2 GLU A 35 -4.708 12.114 10.333 1.00 1.55 H new ATOM 0 HG3 GLU A 35 -3.753 10.819 11.025 1.00 1.55 H new ATOM 527 N LEU A 36 -5.161 11.416 6.876 1.00 0.97 N ATOM 528 CA LEU A 36 -6.485 11.931 6.494 1.00 0.96 C ATOM 529 C LEU A 36 -7.315 10.958 5.633 1.00 0.87 C ATOM 530 O LEU A 36 -8.419 11.289 5.185 1.00 0.93 O ATOM 531 CB LEU A 36 -6.294 13.292 5.798 1.00 0.99 C ATOM 532 CG LEU A 36 -5.334 14.275 6.497 1.00 1.13 C ATOM 533 CD1 LEU A 36 -5.257 15.577 5.705 1.00 1.17 C ATOM 534 CD2 LEU A 36 -5.771 14.598 7.923 1.00 1.30 C ATOM 0 H LEU A 36 -4.442 11.645 6.190 1.00 0.97 H new ATOM 0 HA LEU A 36 -7.074 12.049 7.404 1.00 0.96 H new ATOM 0 HB2 LEU A 36 -5.928 13.113 4.787 1.00 0.99 H new ATOM 0 HB3 LEU A 36 -7.269 13.771 5.704 1.00 0.99 H new ATOM 0 HG LEU A 36 -4.359 13.790 6.540 1.00 1.13 H new ATOM 0 HD11 LEU A 36 -4.577 16.267 6.205 1.00 1.17 H new ATOM 0 HD12 LEU A 36 -4.890 15.370 4.700 1.00 1.17 H new ATOM 0 HD13 LEU A 36 -6.249 16.025 5.644 1.00 1.17 H new ATOM 0 HD21 LEU A 36 -5.062 15.294 8.372 1.00 1.30 H new ATOM 0 HD22 LEU A 36 -6.763 15.050 7.906 1.00 1.30 H new ATOM 0 HD23 LEU A 36 -5.801 13.681 8.511 1.00 1.30 H new ATOM 546 N VAL A 37 -6.785 9.755 5.409 1.00 0.85 N ATOM 547 CA VAL A 37 -7.438 8.627 4.733 1.00 0.85 C ATOM 548 C VAL A 37 -7.953 7.606 5.759 1.00 1.02 C ATOM 549 O VAL A 37 -7.247 7.269 6.720 1.00 1.67 O ATOM 550 CB VAL A 37 -6.503 8.023 3.663 1.00 0.82 C ATOM 551 CG1 VAL A 37 -5.185 7.467 4.215 1.00 1.01 C ATOM 552 CG2 VAL A 37 -7.188 6.919 2.863 1.00 0.84 C ATOM 0 H VAL A 37 -5.837 9.526 5.710 1.00 0.85 H new ATOM 0 HA VAL A 37 -8.319 8.981 4.197 1.00 0.85 H new ATOM 0 HB VAL A 37 -6.266 8.870 3.019 1.00 0.82 H new ATOM 0 HG11 VAL A 37 -4.589 7.063 3.396 1.00 1.01 H new ATOM 0 HG12 VAL A 37 -4.631 8.266 4.707 1.00 1.01 H new ATOM 0 HG13 VAL A 37 -5.397 6.676 4.935 1.00 1.01 H new ATOM 0 HG21 VAL A 37 -6.494 6.523 2.122 1.00 0.84 H new ATOM 0 HG22 VAL A 37 -7.496 6.119 3.536 1.00 0.84 H new ATOM 0 HG23 VAL A 37 -8.064 7.326 2.358 1.00 0.84 H new ATOM 562 N GLN A 38 -9.181 7.125 5.553 1.00 0.78 N ATOM 563 CA GLN A 38 -9.867 6.116 6.372 1.00 0.79 C ATOM 564 C GLN A 38 -10.027 4.789 5.612 1.00 0.77 C ATOM 565 O GLN A 38 -9.919 4.748 4.384 1.00 0.80 O ATOM 566 CB GLN A 38 -11.224 6.656 6.866 1.00 0.90 C ATOM 567 CG GLN A 38 -12.283 6.861 5.769 1.00 2.14 C ATOM 568 CD GLN A 38 -13.667 6.689 6.337 1.00 2.58 C ATOM 569 OE1 GLN A 38 -14.277 5.627 6.252 1.00 4.05 O ATOM 570 NE2 GLN A 38 -14.190 7.696 6.972 1.00 1.88 N ATOM 0 H GLN A 38 -9.755 7.443 4.772 1.00 0.78 H new ATOM 0 HA GLN A 38 -9.249 5.908 7.245 1.00 0.79 H new ATOM 0 HB2 GLN A 38 -11.623 5.966 7.610 1.00 0.90 H new ATOM 0 HB3 GLN A 38 -11.057 7.608 7.371 1.00 0.90 H new ATOM 0 HG2 GLN A 38 -12.181 7.857 5.338 1.00 2.14 H new ATOM 0 HG3 GLN A 38 -12.123 6.146 4.962 1.00 2.14 H new ATOM 0 HE21 GLN A 38 -13.680 8.577 7.040 1.00 1.88 H new ATOM 0 HE22 GLN A 38 -15.111 7.605 7.402 1.00 1.88 H new ATOM 579 N ARG A 39 -10.380 3.702 6.308 1.00 0.76 N ATOM 580 CA ARG A 39 -10.578 2.384 5.666 1.00 0.81 C ATOM 581 C ARG A 39 -11.756 2.320 4.678 1.00 0.95 C ATOM 582 O ARG A 39 -11.861 1.362 3.918 1.00 2.18 O ATOM 583 CB ARG A 39 -10.650 1.287 6.737 1.00 0.86 C ATOM 584 CG ARG A 39 -12.001 1.202 7.455 1.00 0.97 C ATOM 585 CD ARG A 39 -11.912 0.284 8.678 1.00 1.33 C ATOM 586 NE ARG A 39 -13.195 0.208 9.403 1.00 1.65 N ATOM 587 CZ ARG A 39 -14.305 -0.405 9.035 1.00 2.72 C ATOM 588 NH1 ARG A 39 -14.407 -1.128 7.963 1.00 3.93 N ATOM 589 NH2 ARG A 39 -15.378 -0.309 9.756 1.00 2.94 N ATOM 0 H ARG A 39 -10.536 3.702 7.316 1.00 0.76 H new ATOM 0 HA ARG A 39 -9.705 2.211 5.036 1.00 0.81 H new ATOM 0 HB2 ARG A 39 -10.437 0.325 6.271 1.00 0.86 H new ATOM 0 HB3 ARG A 39 -9.868 1.464 7.476 1.00 0.86 H new ATOM 0 HG2 ARG A 39 -12.316 2.198 7.765 1.00 0.97 H new ATOM 0 HG3 ARG A 39 -12.760 0.827 6.768 1.00 0.97 H new ATOM 0 HD2 ARG A 39 -11.614 -0.715 8.361 1.00 1.33 H new ATOM 0 HD3 ARG A 39 -11.136 0.649 9.351 1.00 1.33 H new ATOM 0 HE ARG A 39 -13.229 0.690 10.301 1.00 1.65 H new ATOM 0 HH11 ARG A 39 -13.601 -1.248 7.350 1.00 3.93 H new ATOM 0 HH12 ARG A 39 -15.294 -1.577 7.733 1.00 3.93 H new ATOM 0 HH21 ARG A 39 -15.368 0.243 10.614 1.00 2.94 H new ATOM 0 HH22 ARG A 39 -16.232 -0.785 9.466 1.00 2.94 H new ATOM 603 N GLY A 40 -12.635 3.324 4.675 1.00 1.07 N ATOM 604 CA GLY A 40 -13.742 3.478 3.724 1.00 1.07 C ATOM 605 C GLY A 40 -13.447 4.331 2.483 1.00 1.10 C ATOM 606 O GLY A 40 -14.385 4.661 1.755 1.00 1.20 O ATOM 0 H GLY A 40 -12.596 4.080 5.358 1.00 1.07 H new ATOM 0 HA2 GLY A 40 -14.052 2.487 3.394 1.00 1.07 H new ATOM 0 HA3 GLY A 40 -14.589 3.918 4.250 1.00 1.07 H new ATOM 610 N ASP A 41 -12.201 4.752 2.248 1.00 1.14 N ATOM 611 CA ASP A 41 -11.803 5.508 1.048 1.00 1.18 C ATOM 612 C ASP A 41 -11.313 4.591 -0.099 1.00 0.94 C ATOM 613 O ASP A 41 -10.857 3.463 0.128 1.00 0.86 O ATOM 614 CB ASP A 41 -10.746 6.561 1.429 1.00 1.35 C ATOM 615 CG ASP A 41 -11.286 7.690 2.321 1.00 1.81 C ATOM 616 OD1 ASP A 41 -12.417 8.179 2.068 1.00 1.95 O ATOM 617 OD2 ASP A 41 -10.581 8.119 3.264 1.00 2.90 O ATOM 0 H ASP A 41 -11.428 4.578 2.891 1.00 1.14 H new ATOM 0 HA ASP A 41 -12.686 6.016 0.661 1.00 1.18 H new ATOM 0 HB2 ASP A 41 -9.923 6.066 1.945 1.00 1.35 H new ATOM 0 HB3 ASP A 41 -10.335 6.996 0.518 1.00 1.35 H new ATOM 622 N ILE A 42 -11.405 5.081 -1.341 1.00 0.88 N ATOM 623 CA ILE A 42 -10.941 4.409 -2.569 1.00 0.75 C ATOM 624 C ILE A 42 -9.729 5.165 -3.130 1.00 0.63 C ATOM 625 O ILE A 42 -9.831 6.365 -3.397 1.00 0.65 O ATOM 626 CB ILE A 42 -12.081 4.316 -3.601 1.00 0.97 C ATOM 627 CG1 ILE A 42 -13.332 3.590 -3.058 1.00 1.25 C ATOM 628 CG2 ILE A 42 -11.578 3.638 -4.890 1.00 0.96 C ATOM 629 CD1 ILE A 42 -13.147 2.128 -2.644 1.00 1.83 C ATOM 0 H ILE A 42 -11.821 5.993 -1.530 1.00 0.88 H new ATOM 0 HA ILE A 42 -10.637 3.389 -2.336 1.00 0.75 H new ATOM 0 HB ILE A 42 -12.390 5.337 -3.823 1.00 0.97 H new ATOM 0 HG12 ILE A 42 -13.701 4.145 -2.195 1.00 1.25 H new ATOM 0 HG13 ILE A 42 -14.109 3.633 -3.821 1.00 1.25 H new ATOM 0 HG21 ILE A 42 -12.393 3.578 -5.611 1.00 0.96 H new ATOM 0 HG22 ILE A 42 -10.761 4.222 -5.313 1.00 0.96 H new ATOM 0 HG23 ILE A 42 -11.224 2.633 -4.658 1.00 0.96 H new ATOM 0 HD11 ILE A 42 -14.094 1.730 -2.281 1.00 1.83 H new ATOM 0 HD12 ILE A 42 -12.815 1.546 -3.503 1.00 1.83 H new ATOM 0 HD13 ILE A 42 -12.400 2.066 -1.853 1.00 1.83 H new ATOM 641 N ILE A 43 -8.596 4.478 -3.320 1.00 0.56 N ATOM 642 CA ILE A 43 -7.286 5.092 -3.589 1.00 0.57 C ATOM 643 C ILE A 43 -6.666 4.646 -4.922 1.00 0.62 C ATOM 644 O ILE A 43 -6.616 3.452 -5.226 1.00 0.70 O ATOM 645 CB ILE A 43 -6.329 4.736 -2.420 1.00 0.64 C ATOM 646 CG1 ILE A 43 -6.918 4.991 -1.011 1.00 0.67 C ATOM 647 CG2 ILE A 43 -4.979 5.458 -2.550 1.00 0.71 C ATOM 648 CD1 ILE A 43 -7.332 6.441 -0.742 1.00 0.70 C ATOM 0 H ILE A 43 -8.561 3.459 -3.291 1.00 0.56 H new ATOM 0 HA ILE A 43 -7.435 6.169 -3.667 1.00 0.57 H new ATOM 0 HB ILE A 43 -6.182 3.660 -2.510 1.00 0.64 H new ATOM 0 HG12 ILE A 43 -7.787 4.348 -0.874 1.00 0.67 H new ATOM 0 HG13 ILE A 43 -6.181 4.694 -0.265 1.00 0.67 H new ATOM 0 HG21 ILE A 43 -4.337 5.183 -1.713 1.00 0.71 H new ATOM 0 HG22 ILE A 43 -4.500 5.168 -3.485 1.00 0.71 H new ATOM 0 HG23 ILE A 43 -5.141 6.536 -2.544 1.00 0.71 H new ATOM 0 HD11 ILE A 43 -7.733 6.524 0.268 1.00 0.70 H new ATOM 0 HD12 ILE A 43 -6.463 7.092 -0.842 1.00 0.70 H new ATOM 0 HD13 ILE A 43 -8.095 6.741 -1.461 1.00 0.70 H new ATOM 660 N LYS A 44 -6.149 5.594 -5.714 1.00 0.69 N ATOM 661 CA LYS A 44 -5.488 5.310 -7.007 1.00 0.69 C ATOM 662 C LYS A 44 -3.960 5.340 -6.905 1.00 0.67 C ATOM 663 O LYS A 44 -3.405 6.130 -6.134 1.00 0.91 O ATOM 664 CB LYS A 44 -5.959 6.284 -8.104 1.00 0.80 C ATOM 665 CG LYS A 44 -7.456 6.634 -8.086 1.00 2.48 C ATOM 666 CD LYS A 44 -8.429 5.443 -8.130 1.00 3.65 C ATOM 667 CE LYS A 44 -8.427 4.678 -9.452 1.00 2.91 C ATOM 668 NZ LYS A 44 -9.042 5.453 -10.547 1.00 3.12 N ATOM 0 H LYS A 44 -6.174 6.587 -5.480 1.00 0.69 H new ATOM 0 HA LYS A 44 -5.782 4.297 -7.281 1.00 0.69 H new ATOM 0 HB2 LYS A 44 -5.387 7.208 -8.014 1.00 0.80 H new ATOM 0 HB3 LYS A 44 -5.717 5.853 -9.075 1.00 0.80 H new ATOM 0 HG2 LYS A 44 -7.662 7.213 -7.186 1.00 2.48 H new ATOM 0 HG3 LYS A 44 -7.667 7.282 -8.937 1.00 2.48 H new ATOM 0 HD2 LYS A 44 -8.177 4.753 -7.324 1.00 3.65 H new ATOM 0 HD3 LYS A 44 -9.438 5.806 -7.935 1.00 3.65 H new ATOM 0 HE2 LYS A 44 -7.402 4.424 -9.721 1.00 2.91 H new ATOM 0 HE3 LYS A 44 -8.966 3.739 -9.327 1.00 2.91 H new ATOM 0 HZ1 LYS A 44 -9.018 4.894 -11.424 1.00 3.12 H new ATOM 0 HZ2 LYS A 44 -10.029 5.674 -10.304 1.00 3.12 H new ATOM 0 HZ3 LYS A 44 -8.513 6.338 -10.686 1.00 3.12 H new ATOM 682 N VAL A 45 -3.282 4.523 -7.712 1.00 0.49 N ATOM 683 CA VAL A 45 -1.806 4.446 -7.776 1.00 0.49 C ATOM 684 C VAL A 45 -1.287 4.681 -9.201 1.00 0.53 C ATOM 685 O VAL A 45 -1.823 4.111 -10.151 1.00 0.57 O ATOM 686 CB VAL A 45 -1.312 3.117 -7.160 1.00 0.51 C ATOM 687 CG1 VAL A 45 -1.516 1.891 -8.058 1.00 0.60 C ATOM 688 CG2 VAL A 45 0.172 3.179 -6.777 1.00 0.56 C ATOM 0 H VAL A 45 -3.744 3.880 -8.355 1.00 0.49 H new ATOM 0 HA VAL A 45 -1.387 5.253 -7.176 1.00 0.49 H new ATOM 0 HB VAL A 45 -1.934 2.996 -6.273 1.00 0.51 H new ATOM 0 HG11 VAL A 45 -1.142 1.002 -7.550 1.00 0.60 H new ATOM 0 HG12 VAL A 45 -2.578 1.768 -8.270 1.00 0.60 H new ATOM 0 HG13 VAL A 45 -0.973 2.030 -8.993 1.00 0.60 H new ATOM 0 HG21 VAL A 45 0.477 2.225 -6.348 1.00 0.56 H new ATOM 0 HG22 VAL A 45 0.769 3.385 -7.666 1.00 0.56 H new ATOM 0 HG23 VAL A 45 0.326 3.972 -6.045 1.00 0.56 H new ATOM 698 N VAL A 46 -0.246 5.507 -9.364 1.00 0.58 N ATOM 699 CA VAL A 46 0.338 5.843 -10.684 1.00 0.65 C ATOM 700 C VAL A 46 1.287 4.755 -11.226 1.00 0.73 C ATOM 701 O VAL A 46 1.780 3.921 -10.451 1.00 0.80 O ATOM 702 CB VAL A 46 1.057 7.214 -10.665 1.00 0.73 C ATOM 703 CG1 VAL A 46 0.109 8.347 -10.283 1.00 0.97 C ATOM 704 CG2 VAL A 46 2.279 7.258 -9.743 1.00 0.81 C ATOM 0 H VAL A 46 0.223 5.968 -8.584 1.00 0.58 H new ATOM 0 HA VAL A 46 -0.510 5.901 -11.366 1.00 0.65 H new ATOM 0 HB VAL A 46 1.407 7.353 -11.688 1.00 0.73 H new ATOM 0 HG11 VAL A 46 0.653 9.292 -10.281 1.00 0.97 H new ATOM 0 HG12 VAL A 46 -0.706 8.399 -11.005 1.00 0.97 H new ATOM 0 HG13 VAL A 46 -0.298 8.161 -9.289 1.00 0.97 H new ATOM 0 HG21 VAL A 46 2.729 8.250 -9.783 1.00 0.81 H new ATOM 0 HG22 VAL A 46 1.971 7.040 -8.720 1.00 0.81 H new ATOM 0 HG23 VAL A 46 3.007 6.515 -10.069 1.00 0.81 H new ATOM 714 N PRO A 47 1.625 4.758 -12.533 1.00 0.90 N ATOM 715 CA PRO A 47 2.697 3.918 -13.063 1.00 1.10 C ATOM 716 C PRO A 47 4.034 4.404 -12.473 1.00 1.11 C ATOM 717 O PRO A 47 4.391 5.579 -12.619 1.00 1.25 O ATOM 718 CB PRO A 47 2.636 4.057 -14.594 1.00 1.33 C ATOM 719 CG PRO A 47 1.344 4.825 -14.885 1.00 1.43 C ATOM 720 CD PRO A 47 1.095 5.599 -13.598 1.00 1.03 C ATOM 0 HA PRO A 47 2.595 2.866 -12.796 1.00 1.10 H new ATOM 0 HB2 PRO A 47 3.505 4.594 -14.974 1.00 1.33 H new ATOM 0 HB3 PRO A 47 2.629 3.080 -15.077 1.00 1.33 H new ATOM 0 HG2 PRO A 47 1.457 5.492 -15.739 1.00 1.43 H new ATOM 0 HG3 PRO A 47 0.519 4.151 -15.114 1.00 1.43 H new ATOM 0 HD2 PRO A 47 1.594 6.568 -13.619 1.00 1.03 H new ATOM 0 HD3 PRO A 47 0.032 5.791 -13.455 1.00 1.03 H new ATOM 728 N GLY A 48 4.747 3.533 -11.754 1.00 1.08 N ATOM 729 CA GLY A 48 5.934 3.880 -10.958 1.00 1.11 C ATOM 730 C GLY A 48 5.653 4.334 -9.513 1.00 1.04 C ATOM 731 O GLY A 48 6.597 4.699 -8.812 1.00 1.22 O ATOM 0 H GLY A 48 4.511 2.542 -11.706 1.00 1.08 H new ATOM 0 HA2 GLY A 48 6.595 3.014 -10.926 1.00 1.11 H new ATOM 0 HA3 GLY A 48 6.475 4.675 -11.472 1.00 1.11 H new ATOM 735 N GLY A 49 4.389 4.388 -9.069 1.00 0.91 N ATOM 736 CA GLY A 49 3.996 4.849 -7.727 1.00 0.86 C ATOM 737 C GLY A 49 4.197 3.831 -6.596 1.00 0.82 C ATOM 738 O GLY A 49 4.605 2.692 -6.828 1.00 1.07 O ATOM 0 H GLY A 49 3.594 4.107 -9.643 1.00 0.91 H new ATOM 0 HA2 GLY A 49 4.565 5.748 -7.489 1.00 0.86 H new ATOM 0 HA3 GLY A 49 2.944 5.135 -7.753 1.00 0.86 H new ATOM 742 N LYS A 50 3.877 4.232 -5.356 1.00 0.76 N ATOM 743 CA LYS A 50 4.002 3.393 -4.142 1.00 0.73 C ATOM 744 C LYS A 50 2.660 3.209 -3.424 1.00 0.74 C ATOM 745 O LYS A 50 1.834 4.124 -3.385 1.00 1.01 O ATOM 746 CB LYS A 50 5.069 3.962 -3.187 1.00 0.83 C ATOM 747 CG LYS A 50 6.431 4.165 -3.872 1.00 1.01 C ATOM 748 CD LYS A 50 7.512 4.647 -2.894 1.00 1.10 C ATOM 749 CE LYS A 50 8.745 5.138 -3.667 1.00 1.49 C ATOM 750 NZ LYS A 50 9.718 5.828 -2.786 1.00 1.76 N ATOM 0 H LYS A 50 3.517 5.166 -5.159 1.00 0.76 H new ATOM 0 HA LYS A 50 4.326 2.404 -4.467 1.00 0.73 H new ATOM 0 HB2 LYS A 50 4.722 4.915 -2.788 1.00 0.83 H new ATOM 0 HB3 LYS A 50 5.190 3.287 -2.340 1.00 0.83 H new ATOM 0 HG2 LYS A 50 6.749 3.227 -4.327 1.00 1.01 H new ATOM 0 HG3 LYS A 50 6.325 4.891 -4.678 1.00 1.01 H new ATOM 0 HD2 LYS A 50 7.118 5.452 -2.273 1.00 1.10 H new ATOM 0 HD3 LYS A 50 7.794 3.836 -2.223 1.00 1.10 H new ATOM 0 HE2 LYS A 50 9.231 4.290 -4.149 1.00 1.49 H new ATOM 0 HE3 LYS A 50 8.429 5.817 -4.459 1.00 1.49 H new ATOM 0 HZ1 LYS A 50 10.534 6.142 -3.349 1.00 1.76 H new ATOM 0 HZ2 LYS A 50 9.263 6.653 -2.345 1.00 1.76 H new ATOM 0 HZ3 LYS A 50 10.040 5.173 -2.045 1.00 1.76 H new ATOM 764 N PHE A 51 2.448 2.031 -2.832 1.00 0.66 N ATOM 765 CA PHE A 51 1.201 1.679 -2.134 1.00 0.69 C ATOM 766 C PHE A 51 1.171 2.236 -0.687 1.00 0.70 C ATOM 767 O PHE A 51 2.081 1.922 0.089 1.00 0.72 O ATOM 768 CB PHE A 51 0.994 0.154 -2.165 1.00 0.74 C ATOM 769 CG PHE A 51 0.653 -0.411 -3.537 1.00 0.69 C ATOM 770 CD1 PHE A 51 1.674 -0.806 -4.421 1.00 1.68 C ATOM 771 CD2 PHE A 51 -0.689 -0.552 -3.938 1.00 1.65 C ATOM 772 CE1 PHE A 51 1.368 -1.342 -5.680 1.00 1.62 C ATOM 773 CE2 PHE A 51 -0.999 -1.091 -5.203 1.00 1.72 C ATOM 774 CZ PHE A 51 0.030 -1.482 -6.077 1.00 0.71 C ATOM 0 H PHE A 51 3.143 1.284 -2.822 1.00 0.66 H new ATOM 0 HA PHE A 51 0.370 2.149 -2.660 1.00 0.69 H new ATOM 0 HB2 PHE A 51 1.901 -0.330 -1.802 1.00 0.74 H new ATOM 0 HB3 PHE A 51 0.195 -0.105 -1.471 1.00 0.74 H new ATOM 0 HD1 PHE A 51 2.707 -0.695 -4.126 1.00 1.68 H new ATOM 0 HD2 PHE A 51 -1.484 -0.246 -3.274 1.00 1.65 H new ATOM 0 HE1 PHE A 51 2.163 -1.647 -6.344 1.00 1.62 H new ATOM 0 HE2 PHE A 51 -2.031 -1.204 -5.502 1.00 1.72 H new ATOM 0 HZ PHE A 51 -0.208 -1.888 -7.049 1.00 0.71 H new ATOM 784 N PRO A 52 0.151 3.031 -0.285 1.00 0.71 N ATOM 785 CA PRO A 52 0.148 3.750 0.998 1.00 0.70 C ATOM 786 C PRO A 52 -0.505 3.010 2.185 1.00 0.65 C ATOM 787 O PRO A 52 -0.229 3.360 3.331 1.00 0.67 O ATOM 788 CB PRO A 52 -0.590 5.061 0.698 1.00 0.76 C ATOM 789 CG PRO A 52 -1.615 4.659 -0.359 1.00 0.77 C ATOM 790 CD PRO A 52 -0.886 3.579 -1.157 1.00 0.74 C ATOM 0 HA PRO A 52 1.175 3.879 1.338 1.00 0.70 H new ATOM 0 HB2 PRO A 52 -1.070 5.464 1.590 1.00 0.76 H new ATOM 0 HB3 PRO A 52 0.089 5.828 0.327 1.00 0.76 H new ATOM 0 HG2 PRO A 52 -2.531 4.277 0.092 1.00 0.77 H new ATOM 0 HG3 PRO A 52 -1.897 5.503 -0.988 1.00 0.77 H new ATOM 0 HD2 PRO A 52 -1.578 2.798 -1.471 1.00 0.74 H new ATOM 0 HD3 PRO A 52 -0.447 3.998 -2.062 1.00 0.74 H new ATOM 798 N VAL A 53 -1.360 2.009 1.945 1.00 0.61 N ATOM 799 CA VAL A 53 -2.112 1.219 2.953 1.00 0.57 C ATOM 800 C VAL A 53 -2.328 -0.215 2.436 1.00 0.56 C ATOM 801 O VAL A 53 -2.093 -0.467 1.253 1.00 0.63 O ATOM 802 CB VAL A 53 -3.463 1.866 3.340 1.00 0.63 C ATOM 803 CG1 VAL A 53 -3.279 3.035 4.313 1.00 0.69 C ATOM 804 CG2 VAL A 53 -4.265 2.373 2.140 1.00 0.71 C ATOM 0 H VAL A 53 -1.564 1.704 0.993 1.00 0.61 H new ATOM 0 HA VAL A 53 -1.509 1.197 3.861 1.00 0.57 H new ATOM 0 HB VAL A 53 -4.022 1.060 3.816 1.00 0.63 H new ATOM 0 HG11 VAL A 53 -4.252 3.461 4.559 1.00 0.69 H new ATOM 0 HG12 VAL A 53 -2.799 2.678 5.224 1.00 0.69 H new ATOM 0 HG13 VAL A 53 -2.655 3.799 3.850 1.00 0.69 H new ATOM 0 HG21 VAL A 53 -5.200 2.814 2.487 1.00 0.71 H new ATOM 0 HG22 VAL A 53 -3.685 3.126 1.606 1.00 0.71 H new ATOM 0 HG23 VAL A 53 -4.483 1.541 1.470 1.00 0.71 H new ATOM 814 N ASP A 54 -2.748 -1.158 3.292 1.00 0.56 N ATOM 815 CA ASP A 54 -3.099 -2.527 2.866 1.00 0.60 C ATOM 816 C ASP A 54 -4.583 -2.663 2.461 1.00 0.61 C ATOM 817 O ASP A 54 -5.463 -1.983 3.005 1.00 0.69 O ATOM 818 CB ASP A 54 -2.526 -3.612 3.813 1.00 0.66 C ATOM 819 CG ASP A 54 -3.325 -4.050 5.050 1.00 0.75 C ATOM 820 OD1 ASP A 54 -4.503 -4.455 4.934 1.00 1.85 O ATOM 821 OD2 ASP A 54 -2.713 -4.176 6.136 1.00 1.90 O ATOM 0 H ASP A 54 -2.855 -0.998 4.294 1.00 0.56 H new ATOM 0 HA ASP A 54 -2.580 -2.732 1.930 1.00 0.60 H new ATOM 0 HB2 ASP A 54 -2.343 -4.503 3.212 1.00 0.66 H new ATOM 0 HB3 ASP A 54 -1.556 -3.258 4.162 1.00 0.66 H new ATOM 826 N GLY A 55 -4.847 -3.474 1.429 1.00 0.58 N ATOM 827 CA GLY A 55 -6.182 -3.606 0.838 1.00 0.60 C ATOM 828 C GLY A 55 -6.250 -4.404 -0.469 1.00 0.51 C ATOM 829 O GLY A 55 -5.312 -5.112 -0.849 1.00 0.53 O ATOM 0 H GLY A 55 -4.140 -4.057 0.981 1.00 0.58 H new ATOM 0 HA2 GLY A 55 -6.838 -4.081 1.568 1.00 0.60 H new ATOM 0 HA3 GLY A 55 -6.579 -2.608 0.655 1.00 0.60 H new ATOM 833 N ARG A 56 -7.400 -4.290 -1.144 1.00 0.52 N ATOM 834 CA ARG A 56 -7.784 -5.080 -2.329 1.00 0.53 C ATOM 835 C ARG A 56 -7.795 -4.232 -3.608 1.00 0.51 C ATOM 836 O ARG A 56 -8.158 -3.061 -3.579 1.00 0.53 O ATOM 837 CB ARG A 56 -9.121 -5.784 -2.028 1.00 0.64 C ATOM 838 CG ARG A 56 -9.423 -6.961 -2.967 1.00 0.72 C ATOM 839 CD ARG A 56 -10.679 -7.726 -2.525 1.00 0.87 C ATOM 840 NE ARG A 56 -11.926 -6.988 -2.818 1.00 1.93 N ATOM 841 CZ ARG A 56 -12.733 -7.154 -3.854 1.00 3.12 C ATOM 842 NH1 ARG A 56 -12.625 -8.145 -4.689 1.00 3.76 N ATOM 843 NH2 ARG A 56 -13.693 -6.308 -4.084 1.00 4.37 N ATOM 0 H ARG A 56 -8.119 -3.620 -0.872 1.00 0.52 H new ATOM 0 HA ARG A 56 -7.037 -5.848 -2.530 1.00 0.53 H new ATOM 0 HB2 ARG A 56 -9.108 -6.145 -1.000 1.00 0.64 H new ATOM 0 HB3 ARG A 56 -9.929 -5.056 -2.100 1.00 0.64 H new ATOM 0 HG2 ARG A 56 -9.560 -6.591 -3.983 1.00 0.72 H new ATOM 0 HG3 ARG A 56 -8.570 -7.640 -2.987 1.00 0.72 H new ATOM 0 HD2 ARG A 56 -10.707 -8.693 -3.027 1.00 0.87 H new ATOM 0 HD3 ARG A 56 -10.621 -7.924 -1.455 1.00 0.87 H new ATOM 0 HE ARG A 56 -12.195 -6.270 -2.146 1.00 1.93 H new ATOM 0 HH11 ARG A 56 -11.891 -8.842 -4.561 1.00 3.76 H new ATOM 0 HH12 ARG A 56 -13.274 -8.226 -5.472 1.00 3.76 H new ATOM 0 HH21 ARG A 56 -13.828 -5.509 -3.464 1.00 4.37 H new ATOM 0 HH22 ARG A 56 -14.311 -6.443 -4.884 1.00 4.37 H new ATOM 857 N VAL A 57 -7.389 -4.816 -4.733 1.00 0.55 N ATOM 858 CA VAL A 57 -7.175 -4.148 -6.031 1.00 0.49 C ATOM 859 C VAL A 57 -8.187 -4.666 -7.048 1.00 0.53 C ATOM 860 O VAL A 57 -8.322 -5.880 -7.208 1.00 0.64 O ATOM 861 CB VAL A 57 -5.740 -4.382 -6.548 1.00 0.64 C ATOM 862 CG1 VAL A 57 -5.436 -3.498 -7.765 1.00 0.92 C ATOM 863 CG2 VAL A 57 -4.676 -4.098 -5.481 1.00 0.90 C ATOM 0 H VAL A 57 -7.189 -5.815 -4.775 1.00 0.55 H new ATOM 0 HA VAL A 57 -7.313 -3.076 -5.892 1.00 0.49 H new ATOM 0 HB VAL A 57 -5.696 -5.436 -6.823 1.00 0.64 H new ATOM 0 HG11 VAL A 57 -4.418 -3.686 -8.106 1.00 0.92 H new ATOM 0 HG12 VAL A 57 -6.136 -3.730 -8.567 1.00 0.92 H new ATOM 0 HG13 VAL A 57 -5.538 -2.449 -7.487 1.00 0.92 H new ATOM 0 HG21 VAL A 57 -3.685 -4.279 -5.898 1.00 0.90 H new ATOM 0 HG22 VAL A 57 -4.751 -3.059 -5.160 1.00 0.90 H new ATOM 0 HG23 VAL A 57 -4.835 -4.754 -4.625 1.00 0.90 H new ATOM 873 N ILE A 58 -8.902 -3.771 -7.739 1.00 0.55 N ATOM 874 CA ILE A 58 -10.025 -4.139 -8.630 1.00 0.68 C ATOM 875 C ILE A 58 -10.080 -3.325 -9.939 1.00 0.74 C ATOM 876 O ILE A 58 -11.159 -3.055 -10.473 1.00 0.79 O ATOM 877 CB ILE A 58 -11.371 -4.112 -7.855 1.00 0.77 C ATOM 878 CG1 ILE A 58 -11.582 -2.749 -7.166 1.00 0.82 C ATOM 879 CG2 ILE A 58 -11.452 -5.267 -6.841 1.00 0.75 C ATOM 880 CD1 ILE A 58 -12.985 -2.540 -6.586 1.00 0.97 C ATOM 0 H ILE A 58 -8.723 -2.767 -7.701 1.00 0.55 H new ATOM 0 HA ILE A 58 -9.840 -5.163 -8.955 1.00 0.68 H new ATOM 0 HB ILE A 58 -12.176 -4.250 -8.577 1.00 0.77 H new ATOM 0 HG12 ILE A 58 -10.852 -2.645 -6.363 1.00 0.82 H new ATOM 0 HG13 ILE A 58 -11.379 -1.957 -7.886 1.00 0.82 H new ATOM 0 HG21 ILE A 58 -12.405 -5.222 -6.314 1.00 0.75 H new ATOM 0 HG22 ILE A 58 -11.372 -6.219 -7.366 1.00 0.75 H new ATOM 0 HG23 ILE A 58 -10.636 -5.179 -6.124 1.00 0.75 H new ATOM 0 HD11 ILE A 58 -13.044 -1.556 -6.121 1.00 0.97 H new ATOM 0 HD12 ILE A 58 -13.723 -2.608 -7.385 1.00 0.97 H new ATOM 0 HD13 ILE A 58 -13.188 -3.307 -5.839 1.00 0.97 H new ATOM 892 N GLU A 59 -8.924 -2.992 -10.522 1.00 0.74 N ATOM 893 CA GLU A 59 -8.788 -2.442 -11.879 1.00 0.80 C ATOM 894 C GLU A 59 -7.322 -2.491 -12.359 1.00 0.83 C ATOM 895 O GLU A 59 -6.420 -2.217 -11.566 1.00 0.91 O ATOM 896 CB GLU A 59 -9.292 -0.983 -11.904 1.00 0.83 C ATOM 897 CG GLU A 59 -9.835 -0.551 -13.266 1.00 1.07 C ATOM 898 CD GLU A 59 -11.164 -1.242 -13.599 1.00 1.67 C ATOM 899 OE1 GLU A 59 -12.250 -0.760 -13.202 1.00 2.39 O ATOM 900 OE2 GLU A 59 -11.162 -2.315 -14.245 1.00 3.17 O ATOM 0 H GLU A 59 -8.027 -3.101 -10.049 1.00 0.74 H new ATOM 0 HA GLU A 59 -9.389 -3.052 -12.553 1.00 0.80 H new ATOM 0 HB2 GLU A 59 -10.075 -0.864 -11.155 1.00 0.83 H new ATOM 0 HB3 GLU A 59 -8.475 -0.319 -11.620 1.00 0.83 H new ATOM 0 HG2 GLU A 59 -9.976 0.530 -13.274 1.00 1.07 H new ATOM 0 HG3 GLU A 59 -9.102 -0.783 -14.039 1.00 1.07 H new ATOM 907 N GLY A 60 -7.092 -2.785 -13.645 1.00 0.81 N ATOM 908 CA GLY A 60 -5.789 -2.667 -14.319 1.00 0.84 C ATOM 909 C GLY A 60 -4.867 -3.892 -14.217 1.00 0.94 C ATOM 910 O GLY A 60 -5.314 -5.000 -13.916 1.00 1.21 O ATOM 0 H GLY A 60 -7.828 -3.122 -14.265 1.00 0.81 H new ATOM 0 HA2 GLY A 60 -5.965 -2.456 -15.374 1.00 0.84 H new ATOM 0 HA3 GLY A 60 -5.264 -1.806 -13.905 1.00 0.84 H new ATOM 914 N HIS A 61 -3.580 -3.698 -14.520 1.00 0.82 N ATOM 915 CA HIS A 61 -2.525 -4.715 -14.361 1.00 0.79 C ATOM 916 C HIS A 61 -1.100 -4.140 -14.256 1.00 0.79 C ATOM 917 O HIS A 61 -0.641 -3.346 -15.079 1.00 1.08 O ATOM 918 CB HIS A 61 -2.612 -5.821 -15.434 1.00 0.95 C ATOM 919 CG HIS A 61 -2.606 -5.444 -16.901 1.00 1.22 C ATOM 920 ND1 HIS A 61 -2.884 -6.329 -17.916 1.00 2.59 N ATOM 921 CD2 HIS A 61 -2.331 -4.240 -17.498 1.00 1.56 C ATOM 922 CE1 HIS A 61 -2.776 -5.692 -19.089 1.00 2.58 C ATOM 923 NE2 HIS A 61 -2.431 -4.407 -18.888 1.00 1.77 N ATOM 0 H HIS A 61 -3.231 -2.814 -14.890 1.00 0.82 H new ATOM 0 HA HIS A 61 -2.727 -5.172 -13.392 1.00 0.79 H new ATOM 0 HB2 HIS A 61 -1.777 -6.501 -15.269 1.00 0.95 H new ATOM 0 HB3 HIS A 61 -3.525 -6.386 -15.246 1.00 0.95 H new ATOM 0 HD2 HIS A 61 -2.081 -3.322 -16.987 1.00 1.56 H new ATOM 0 HE1 HIS A 61 -2.942 -6.144 -20.056 1.00 2.58 H new ATOM 0 HE2 HIS A 61 -2.274 -3.697 -19.603 1.00 1.77 H new ATOM 931 N SER A 62 -0.382 -4.521 -13.200 1.00 0.73 N ATOM 932 CA SER A 62 1.033 -4.173 -12.994 1.00 0.76 C ATOM 933 C SER A 62 1.816 -5.274 -12.290 1.00 0.70 C ATOM 934 O SER A 62 1.231 -6.190 -11.712 1.00 0.70 O ATOM 935 CB SER A 62 1.156 -2.834 -12.256 1.00 0.89 C ATOM 936 OG SER A 62 0.858 -1.776 -13.146 1.00 1.37 O ATOM 0 H SER A 62 -0.770 -5.090 -12.448 1.00 0.73 H new ATOM 0 HA SER A 62 1.484 -4.067 -13.981 1.00 0.76 H new ATOM 0 HB2 SER A 62 0.474 -2.811 -11.406 1.00 0.89 H new ATOM 0 HB3 SER A 62 2.164 -2.717 -11.859 1.00 0.89 H new ATOM 0 HG SER A 62 0.294 -2.110 -13.875 1.00 1.37 H new ATOM 942 N MET A 63 3.144 -5.163 -12.309 1.00 0.75 N ATOM 943 CA MET A 63 4.047 -6.034 -11.563 1.00 0.72 C ATOM 944 C MET A 63 4.650 -5.252 -10.388 1.00 0.72 C ATOM 945 O MET A 63 5.228 -4.177 -10.570 1.00 0.96 O ATOM 946 CB MET A 63 5.066 -6.629 -12.537 1.00 0.79 C ATOM 947 CG MET A 63 6.064 -7.535 -11.824 1.00 0.81 C ATOM 948 SD MET A 63 6.903 -8.719 -12.904 1.00 0.94 S ATOM 949 CE MET A 63 5.602 -9.969 -13.085 1.00 0.91 C ATOM 0 H MET A 63 3.630 -4.451 -12.854 1.00 0.75 H new ATOM 0 HA MET A 63 3.528 -6.880 -11.112 1.00 0.72 H new ATOM 0 HB2 MET A 63 4.545 -7.197 -13.307 1.00 0.79 H new ATOM 0 HB3 MET A 63 5.601 -5.824 -13.041 1.00 0.79 H new ATOM 0 HG2 MET A 63 6.814 -6.914 -11.334 1.00 0.81 H new ATOM 0 HG3 MET A 63 5.542 -8.084 -11.040 1.00 0.81 H new ATOM 0 HE1 MET A 63 5.959 -10.775 -13.726 1.00 0.91 H new ATOM 0 HE2 MET A 63 5.345 -10.371 -12.105 1.00 0.91 H new ATOM 0 HE3 MET A 63 4.719 -9.513 -13.533 1.00 0.91 H new ATOM 959 N VAL A 64 4.479 -5.790 -9.181 1.00 0.53 N ATOM 960 CA VAL A 64 4.718 -5.121 -7.893 1.00 0.48 C ATOM 961 C VAL A 64 5.889 -5.724 -7.115 1.00 0.47 C ATOM 962 O VAL A 64 6.085 -6.940 -7.112 1.00 0.57 O ATOM 963 CB VAL A 64 3.406 -5.132 -7.077 1.00 0.52 C ATOM 964 CG1 VAL A 64 3.532 -4.641 -5.630 1.00 0.53 C ATOM 965 CG2 VAL A 64 2.356 -4.250 -7.770 1.00 0.59 C ATOM 0 H VAL A 64 4.155 -6.750 -9.064 1.00 0.53 H new ATOM 0 HA VAL A 64 5.014 -4.090 -8.087 1.00 0.48 H new ATOM 0 HB VAL A 64 3.117 -6.182 -7.036 1.00 0.52 H new ATOM 0 HG11 VAL A 64 2.558 -4.688 -5.144 1.00 0.53 H new ATOM 0 HG12 VAL A 64 4.237 -5.274 -5.091 1.00 0.53 H new ATOM 0 HG13 VAL A 64 3.891 -3.612 -5.625 1.00 0.53 H new ATOM 0 HG21 VAL A 64 1.432 -4.261 -7.191 1.00 0.59 H new ATOM 0 HG22 VAL A 64 2.728 -3.228 -7.840 1.00 0.59 H new ATOM 0 HG23 VAL A 64 2.161 -4.635 -8.771 1.00 0.59 H new ATOM 975 N ASP A 65 6.652 -4.878 -6.419 1.00 0.45 N ATOM 976 CA ASP A 65 7.812 -5.259 -5.603 1.00 0.50 C ATOM 977 C ASP A 65 7.435 -5.371 -4.109 1.00 0.53 C ATOM 978 O ASP A 65 7.406 -4.368 -3.388 1.00 0.61 O ATOM 979 CB ASP A 65 8.917 -4.219 -5.865 1.00 0.62 C ATOM 980 CG ASP A 65 10.230 -4.537 -5.153 1.00 0.77 C ATOM 981 OD1 ASP A 65 10.802 -5.626 -5.397 1.00 1.41 O ATOM 982 OD2 ASP A 65 10.739 -3.683 -4.387 1.00 1.94 O ATOM 0 H ASP A 65 6.475 -3.874 -6.406 1.00 0.45 H new ATOM 0 HA ASP A 65 8.175 -6.249 -5.880 1.00 0.50 H new ATOM 0 HB2 ASP A 65 9.100 -4.156 -6.938 1.00 0.62 H new ATOM 0 HB3 ASP A 65 8.566 -3.238 -5.544 1.00 0.62 H new ATOM 987 N GLU A 66 7.141 -6.592 -3.643 1.00 0.62 N ATOM 988 CA GLU A 66 6.803 -6.907 -2.238 1.00 0.67 C ATOM 989 C GLU A 66 8.029 -7.333 -1.395 1.00 0.63 C ATOM 990 O GLU A 66 7.926 -7.438 -0.174 1.00 0.85 O ATOM 991 CB GLU A 66 5.758 -8.043 -2.156 1.00 0.82 C ATOM 992 CG GLU A 66 4.466 -7.885 -2.975 1.00 0.94 C ATOM 993 CD GLU A 66 3.418 -8.979 -2.668 1.00 0.93 C ATOM 994 OE1 GLU A 66 3.760 -10.119 -2.260 1.00 1.67 O ATOM 995 OE2 GLU A 66 2.209 -8.704 -2.875 1.00 1.74 O ATOM 0 H GLU A 66 7.130 -7.415 -4.246 1.00 0.62 H new ATOM 0 HA GLU A 66 6.402 -5.980 -1.828 1.00 0.67 H new ATOM 0 HB2 GLU A 66 6.243 -8.968 -2.469 1.00 0.82 H new ATOM 0 HB3 GLU A 66 5.479 -8.167 -1.110 1.00 0.82 H new ATOM 0 HG2 GLU A 66 4.031 -6.906 -2.772 1.00 0.94 H new ATOM 0 HG3 GLU A 66 4.710 -7.911 -4.037 1.00 0.94 H new ATOM 1002 N SER A 67 9.179 -7.582 -2.035 1.00 0.72 N ATOM 1003 CA SER A 67 10.391 -8.230 -1.492 1.00 0.79 C ATOM 1004 C SER A 67 10.783 -7.901 -0.045 1.00 0.77 C ATOM 1005 O SER A 67 11.082 -8.823 0.710 1.00 1.07 O ATOM 1006 CB SER A 67 11.583 -7.931 -2.407 1.00 0.96 C ATOM 1007 OG SER A 67 12.747 -8.613 -1.977 1.00 2.34 O ATOM 0 H SER A 67 9.301 -7.320 -3.013 1.00 0.72 H new ATOM 0 HA SER A 67 10.125 -9.287 -1.465 1.00 0.79 H new ATOM 0 HB2 SER A 67 11.343 -8.226 -3.428 1.00 0.96 H new ATOM 0 HB3 SER A 67 11.773 -6.858 -2.421 1.00 0.96 H new ATOM 0 HG SER A 67 13.490 -8.404 -2.581 1.00 2.34 H new ATOM 1013 N LEU A 68 10.790 -6.638 0.383 1.00 0.73 N ATOM 1014 CA LEU A 68 11.155 -6.281 1.766 1.00 0.82 C ATOM 1015 C LEU A 68 10.030 -6.612 2.769 1.00 0.85 C ATOM 1016 O LEU A 68 10.295 -7.034 3.895 1.00 0.99 O ATOM 1017 CB LEU A 68 11.564 -4.789 1.747 1.00 0.92 C ATOM 1018 CG LEU A 68 12.068 -4.100 3.035 1.00 0.97 C ATOM 1019 CD1 LEU A 68 10.962 -3.745 4.031 1.00 1.20 C ATOM 1020 CD2 LEU A 68 13.153 -4.889 3.765 1.00 0.79 C ATOM 0 H LEU A 68 10.548 -5.840 -0.204 1.00 0.73 H new ATOM 0 HA LEU A 68 11.994 -6.879 2.120 1.00 0.82 H new ATOM 0 HB2 LEU A 68 12.346 -4.679 0.996 1.00 0.92 H new ATOM 0 HB3 LEU A 68 10.702 -4.223 1.395 1.00 0.92 H new ATOM 0 HG LEU A 68 12.498 -3.172 2.660 1.00 0.97 H new ATOM 0 HD11 LEU A 68 11.401 -3.265 4.906 1.00 1.20 H new ATOM 0 HD12 LEU A 68 10.254 -3.063 3.560 1.00 1.20 H new ATOM 0 HD13 LEU A 68 10.443 -4.653 4.337 1.00 1.20 H new ATOM 0 HD21 LEU A 68 13.459 -4.346 4.659 1.00 0.79 H new ATOM 0 HD22 LEU A 68 12.763 -5.866 4.050 1.00 0.79 H new ATOM 0 HD23 LEU A 68 14.013 -5.019 3.108 1.00 0.79 H new ATOM 1032 N ILE A 69 8.771 -6.493 2.344 1.00 0.79 N ATOM 1033 CA ILE A 69 7.572 -6.710 3.164 1.00 0.84 C ATOM 1034 C ILE A 69 7.355 -8.207 3.441 1.00 0.91 C ATOM 1035 O ILE A 69 7.111 -8.620 4.581 1.00 1.00 O ATOM 1036 CB ILE A 69 6.329 -6.104 2.456 1.00 0.82 C ATOM 1037 CG1 ILE A 69 6.544 -4.706 1.823 1.00 0.90 C ATOM 1038 CG2 ILE A 69 5.148 -6.091 3.438 1.00 0.93 C ATOM 1039 CD1 ILE A 69 6.849 -3.580 2.813 1.00 1.03 C ATOM 0 H ILE A 69 8.547 -6.233 1.383 1.00 0.79 H new ATOM 0 HA ILE A 69 7.715 -6.210 4.122 1.00 0.84 H new ATOM 0 HB ILE A 69 6.118 -6.750 1.604 1.00 0.82 H new ATOM 0 HG12 ILE A 69 7.364 -4.771 1.108 1.00 0.90 H new ATOM 0 HG13 ILE A 69 5.650 -4.439 1.259 1.00 0.90 H new ATOM 0 HG21 ILE A 69 4.272 -5.667 2.948 1.00 0.93 H new ATOM 0 HG22 ILE A 69 4.928 -7.110 3.756 1.00 0.93 H new ATOM 0 HG23 ILE A 69 5.405 -5.487 4.308 1.00 0.93 H new ATOM 0 HD11 ILE A 69 6.982 -2.644 2.270 1.00 1.03 H new ATOM 0 HD12 ILE A 69 6.021 -3.478 3.514 1.00 1.03 H new ATOM 0 HD13 ILE A 69 7.761 -3.815 3.361 1.00 1.03 H new ATOM 1051 N THR A 70 7.446 -9.024 2.390 1.00 0.95 N ATOM 1052 CA THR A 70 7.083 -10.456 2.395 1.00 1.00 C ATOM 1053 C THR A 70 8.277 -11.404 2.273 1.00 1.05 C ATOM 1054 O THR A 70 8.138 -12.603 2.505 1.00 1.16 O ATOM 1055 CB THR A 70 6.101 -10.740 1.251 1.00 0.97 C ATOM 1056 OG1 THR A 70 6.692 -10.383 0.024 1.00 1.19 O ATOM 1057 CG2 THR A 70 4.808 -9.935 1.380 1.00 1.20 C ATOM 0 H THR A 70 7.783 -8.705 1.482 1.00 0.95 H new ATOM 0 HA THR A 70 6.630 -10.649 3.367 1.00 1.00 H new ATOM 0 HB THR A 70 5.865 -11.803 1.297 1.00 0.97 H new ATOM 0 HG1 THR A 70 6.065 -10.566 -0.707 1.00 1.19 H new ATOM 0 HG21 THR A 70 4.147 -10.172 0.546 1.00 1.20 H new ATOM 0 HG22 THR A 70 4.314 -10.188 2.318 1.00 1.20 H new ATOM 0 HG23 THR A 70 5.040 -8.870 1.368 1.00 1.20 H new ATOM 1065 N GLY A 71 9.451 -10.885 1.910 1.00 1.02 N ATOM 1066 CA GLY A 71 10.686 -11.644 1.689 1.00 1.03 C ATOM 1067 C GLY A 71 10.811 -12.280 0.291 1.00 0.99 C ATOM 1068 O GLY A 71 11.792 -12.978 0.041 1.00 1.12 O ATOM 0 H GLY A 71 9.574 -9.884 1.755 1.00 1.02 H new ATOM 0 HA2 GLY A 71 11.537 -10.982 1.849 1.00 1.03 H new ATOM 0 HA3 GLY A 71 10.751 -12.433 2.439 1.00 1.03 H new ATOM 1072 N GLU A 72 9.845 -12.054 -0.614 1.00 0.90 N ATOM 1073 CA GLU A 72 9.741 -12.724 -1.928 1.00 0.90 C ATOM 1074 C GLU A 72 11.032 -12.677 -2.772 1.00 1.12 C ATOM 1075 O GLU A 72 11.457 -13.719 -3.277 1.00 2.49 O ATOM 1076 CB GLU A 72 8.589 -12.109 -2.744 1.00 0.93 C ATOM 1077 CG GLU A 72 7.194 -12.595 -2.330 1.00 0.90 C ATOM 1078 CD GLU A 72 6.879 -14.001 -2.853 1.00 1.17 C ATOM 1079 OE1 GLU A 72 6.572 -14.169 -4.055 1.00 2.21 O ATOM 1080 OE2 GLU A 72 6.934 -14.982 -2.076 1.00 1.93 O ATOM 0 H GLU A 72 9.094 -11.384 -0.451 1.00 0.90 H new ATOM 0 HA GLU A 72 9.552 -13.774 -1.704 1.00 0.90 H new ATOM 0 HB2 GLU A 72 8.628 -11.024 -2.645 1.00 0.93 H new ATOM 0 HB3 GLU A 72 8.743 -12.338 -3.798 1.00 0.93 H new ATOM 0 HG2 GLU A 72 7.120 -12.591 -1.243 1.00 0.90 H new ATOM 0 HG3 GLU A 72 6.445 -11.897 -2.703 1.00 0.90 H new ATOM 1087 N ALA A 73 11.647 -11.499 -2.947 1.00 1.14 N ATOM 1088 CA ALA A 73 12.889 -11.290 -3.719 1.00 1.11 C ATOM 1089 C ALA A 73 12.813 -11.742 -5.195 1.00 1.05 C ATOM 1090 O ALA A 73 13.790 -12.187 -5.803 1.00 1.58 O ATOM 1091 CB ALA A 73 14.096 -11.794 -2.923 1.00 1.59 C ATOM 0 H ALA A 73 11.285 -10.635 -2.544 1.00 1.14 H new ATOM 0 HA ALA A 73 13.032 -10.216 -3.842 1.00 1.11 H new ATOM 0 HB1 ALA A 73 15.006 -11.635 -3.502 1.00 1.59 H new ATOM 0 HB2 ALA A 73 14.165 -11.249 -1.982 1.00 1.59 H new ATOM 0 HB3 ALA A 73 13.978 -12.858 -2.718 1.00 1.59 H new ATOM 1097 N MET A 74 11.602 -11.620 -5.735 1.00 0.90 N ATOM 1098 CA MET A 74 11.175 -11.732 -7.126 1.00 0.87 C ATOM 1099 C MET A 74 9.783 -11.062 -7.179 1.00 0.80 C ATOM 1100 O MET A 74 8.983 -11.276 -6.255 1.00 0.90 O ATOM 1101 CB MET A 74 11.138 -13.213 -7.538 1.00 1.10 C ATOM 1102 CG MET A 74 10.348 -13.503 -8.817 1.00 1.65 C ATOM 1103 SD MET A 74 10.163 -15.269 -9.192 1.00 2.20 S ATOM 1104 CE MET A 74 11.838 -15.698 -9.736 1.00 3.14 C ATOM 0 H MET A 74 10.803 -11.416 -5.135 1.00 0.90 H new ATOM 0 HA MET A 74 11.854 -11.245 -7.826 1.00 0.87 H new ATOM 0 HB2 MET A 74 12.161 -13.564 -7.672 1.00 1.10 H new ATOM 0 HB3 MET A 74 10.706 -13.792 -6.722 1.00 1.10 H new ATOM 0 HG2 MET A 74 9.358 -13.056 -8.728 1.00 1.65 H new ATOM 0 HG3 MET A 74 10.844 -13.015 -9.656 1.00 1.65 H new ATOM 0 HE1 MET A 74 11.875 -16.755 -9.999 1.00 3.14 H new ATOM 0 HE2 MET A 74 12.103 -15.097 -10.606 1.00 3.14 H new ATOM 0 HE3 MET A 74 12.544 -15.500 -8.930 1.00 3.14 H new ATOM 1114 N PRO A 75 9.478 -10.228 -8.185 1.00 0.80 N ATOM 1115 CA PRO A 75 8.268 -9.406 -8.198 1.00 0.82 C ATOM 1116 C PRO A 75 6.987 -10.213 -8.463 1.00 0.73 C ATOM 1117 O PRO A 75 7.029 -11.367 -8.892 1.00 0.87 O ATOM 1118 CB PRO A 75 8.535 -8.336 -9.252 1.00 1.00 C ATOM 1119 CG PRO A 75 9.450 -9.049 -10.247 1.00 1.38 C ATOM 1120 CD PRO A 75 10.314 -9.912 -9.332 1.00 0.99 C ATOM 0 HA PRO A 75 8.075 -8.965 -7.220 1.00 0.82 H new ATOM 0 HB2 PRO A 75 7.613 -7.997 -9.724 1.00 1.00 H new ATOM 0 HB3 PRO A 75 9.015 -7.457 -8.821 1.00 1.00 H new ATOM 0 HG2 PRO A 75 8.886 -9.650 -10.960 1.00 1.38 H new ATOM 0 HG3 PRO A 75 10.048 -8.345 -10.826 1.00 1.38 H new ATOM 0 HD2 PRO A 75 10.639 -10.819 -9.841 1.00 0.99 H new ATOM 0 HD3 PRO A 75 11.214 -9.379 -9.026 1.00 0.99 H new ATOM 1128 N VAL A 76 5.837 -9.596 -8.182 1.00 0.62 N ATOM 1129 CA VAL A 76 4.511 -10.238 -8.145 1.00 0.59 C ATOM 1130 C VAL A 76 3.553 -9.601 -9.152 1.00 0.58 C ATOM 1131 O VAL A 76 3.389 -8.382 -9.157 1.00 0.59 O ATOM 1132 CB VAL A 76 3.930 -10.152 -6.719 1.00 0.64 C ATOM 1133 CG1 VAL A 76 2.590 -10.885 -6.627 1.00 0.73 C ATOM 1134 CG2 VAL A 76 4.897 -10.757 -5.689 1.00 0.73 C ATOM 0 H VAL A 76 5.797 -8.600 -7.966 1.00 0.62 H new ATOM 0 HA VAL A 76 4.630 -11.285 -8.423 1.00 0.59 H new ATOM 0 HB VAL A 76 3.782 -9.095 -6.498 1.00 0.64 H new ATOM 0 HG11 VAL A 76 2.203 -10.809 -5.611 1.00 0.73 H new ATOM 0 HG12 VAL A 76 1.880 -10.434 -7.321 1.00 0.73 H new ATOM 0 HG13 VAL A 76 2.731 -11.935 -6.884 1.00 0.73 H new ATOM 0 HG21 VAL A 76 4.461 -10.682 -4.693 1.00 0.73 H new ATOM 0 HG22 VAL A 76 5.076 -11.805 -5.929 1.00 0.73 H new ATOM 0 HG23 VAL A 76 5.841 -10.213 -5.713 1.00 0.73 H new ATOM 1144 N ALA A 77 2.880 -10.398 -9.984 1.00 0.63 N ATOM 1145 CA ALA A 77 1.904 -9.902 -10.955 1.00 0.68 C ATOM 1146 C ALA A 77 0.534 -9.617 -10.302 1.00 0.64 C ATOM 1147 O ALA A 77 0.073 -10.383 -9.451 1.00 0.64 O ATOM 1148 CB ALA A 77 1.796 -10.922 -12.094 1.00 0.81 C ATOM 0 H ALA A 77 2.998 -11.411 -10.003 1.00 0.63 H new ATOM 0 HA ALA A 77 2.243 -8.946 -11.355 1.00 0.68 H new ATOM 0 HB1 ALA A 77 1.072 -10.571 -12.830 1.00 0.81 H new ATOM 0 HB2 ALA A 77 2.769 -11.040 -12.570 1.00 0.81 H new ATOM 0 HB3 ALA A 77 1.469 -11.882 -11.693 1.00 0.81 H new ATOM 1154 N LYS A 78 -0.113 -8.516 -10.703 1.00 0.69 N ATOM 1155 CA LYS A 78 -1.416 -8.050 -10.192 1.00 0.71 C ATOM 1156 C LYS A 78 -2.429 -7.850 -11.333 1.00 0.78 C ATOM 1157 O LYS A 78 -2.050 -7.505 -12.455 1.00 0.88 O ATOM 1158 CB LYS A 78 -1.228 -6.750 -9.379 1.00 0.76 C ATOM 1159 CG LYS A 78 -0.159 -6.783 -8.266 1.00 0.72 C ATOM 1160 CD LYS A 78 -0.526 -7.659 -7.052 1.00 0.63 C ATOM 1161 CE LYS A 78 0.599 -7.668 -6.004 1.00 0.60 C ATOM 1162 NZ LYS A 78 0.244 -8.473 -4.807 1.00 0.67 N ATOM 0 H LYS A 78 0.268 -7.899 -11.420 1.00 0.69 H new ATOM 0 HA LYS A 78 -1.822 -8.818 -9.534 1.00 0.71 H new ATOM 0 HB2 LYS A 78 -0.975 -5.948 -10.072 1.00 0.76 H new ATOM 0 HB3 LYS A 78 -2.185 -6.489 -8.926 1.00 0.76 H new ATOM 0 HG2 LYS A 78 0.777 -7.146 -8.690 1.00 0.72 H new ATOM 0 HG3 LYS A 78 0.020 -5.764 -7.922 1.00 0.72 H new ATOM 0 HD2 LYS A 78 -1.445 -7.287 -6.598 1.00 0.63 H new ATOM 0 HD3 LYS A 78 -0.724 -8.678 -7.384 1.00 0.63 H new ATOM 0 HE2 LYS A 78 1.508 -8.069 -6.453 1.00 0.60 H new ATOM 0 HE3 LYS A 78 0.818 -6.645 -5.700 1.00 0.60 H new ATOM 0 HZ1 LYS A 78 1.038 -8.465 -4.135 1.00 0.67 H new ATOM 0 HZ2 LYS A 78 -0.599 -8.066 -4.353 1.00 0.67 H new ATOM 0 HZ3 LYS A 78 0.044 -9.452 -5.094 1.00 0.67 H new ATOM 1176 N LYS A 79 -3.717 -8.024 -11.013 1.00 0.75 N ATOM 1177 CA LYS A 79 -4.921 -7.925 -11.874 1.00 0.76 C ATOM 1178 C LYS A 79 -6.115 -7.453 -11.018 1.00 0.71 C ATOM 1179 O LYS A 79 -5.959 -7.375 -9.795 1.00 0.72 O ATOM 1180 CB LYS A 79 -5.228 -9.322 -12.463 1.00 0.82 C ATOM 1181 CG LYS A 79 -4.283 -9.692 -13.614 1.00 2.58 C ATOM 1182 CD LYS A 79 -4.637 -11.009 -14.317 1.00 2.76 C ATOM 1183 CE LYS A 79 -6.016 -10.985 -14.991 1.00 2.63 C ATOM 1184 NZ LYS A 79 -6.171 -12.132 -15.914 1.00 3.21 N ATOM 0 H LYS A 79 -3.976 -8.261 -10.055 1.00 0.75 H new ATOM 0 HA LYS A 79 -4.749 -7.214 -12.682 1.00 0.76 H new ATOM 0 HB2 LYS A 79 -5.147 -10.071 -11.675 1.00 0.82 H new ATOM 0 HB3 LYS A 79 -6.258 -9.344 -12.820 1.00 0.82 H new ATOM 0 HG2 LYS A 79 -4.290 -8.887 -14.349 1.00 2.58 H new ATOM 0 HG3 LYS A 79 -3.266 -9.761 -13.227 1.00 2.58 H new ATOM 0 HD2 LYS A 79 -3.877 -11.228 -15.067 1.00 2.76 H new ATOM 0 HD3 LYS A 79 -4.610 -11.820 -13.589 1.00 2.76 H new ATOM 0 HE2 LYS A 79 -6.797 -11.016 -14.232 1.00 2.63 H new ATOM 0 HE3 LYS A 79 -6.141 -10.052 -15.540 1.00 2.63 H new ATOM 0 HZ1 LYS A 79 -7.111 -12.095 -16.358 1.00 3.21 H new ATOM 0 HZ2 LYS A 79 -5.438 -12.087 -16.650 1.00 3.21 H new ATOM 0 HZ3 LYS A 79 -6.074 -13.021 -15.383 1.00 3.21 H new ATOM 1198 N PRO A 80 -7.303 -7.141 -11.574 1.00 0.71 N ATOM 1199 CA PRO A 80 -8.499 -6.959 -10.753 1.00 0.72 C ATOM 1200 C PRO A 80 -8.823 -8.238 -9.959 1.00 0.74 C ATOM 1201 O PRO A 80 -8.690 -9.351 -10.469 1.00 0.91 O ATOM 1202 CB PRO A 80 -9.620 -6.595 -11.732 1.00 0.76 C ATOM 1203 CG PRO A 80 -9.156 -7.204 -13.054 1.00 0.79 C ATOM 1204 CD PRO A 80 -7.649 -6.973 -12.981 1.00 0.75 C ATOM 0 HA PRO A 80 -8.364 -6.177 -10.006 1.00 0.72 H new ATOM 0 HB2 PRO A 80 -10.578 -7.007 -11.415 1.00 0.76 H new ATOM 0 HB3 PRO A 80 -9.748 -5.515 -11.811 1.00 0.76 H new ATOM 0 HG2 PRO A 80 -9.406 -8.262 -13.129 1.00 0.79 H new ATOM 0 HG3 PRO A 80 -9.606 -6.709 -13.914 1.00 0.79 H new ATOM 0 HD2 PRO A 80 -7.111 -7.685 -13.606 1.00 0.75 H new ATOM 0 HD3 PRO A 80 -7.386 -5.976 -13.335 1.00 0.75 H new ATOM 1212 N GLY A 81 -9.245 -8.086 -8.702 1.00 0.70 N ATOM 1213 CA GLY A 81 -9.392 -9.201 -7.761 1.00 0.75 C ATOM 1214 C GLY A 81 -8.046 -9.679 -7.205 1.00 0.74 C ATOM 1215 O GLY A 81 -7.794 -10.885 -7.148 1.00 1.05 O ATOM 0 H GLY A 81 -9.496 -7.181 -8.305 1.00 0.70 H new ATOM 0 HA2 GLY A 81 -10.034 -8.894 -6.936 1.00 0.75 H new ATOM 0 HA3 GLY A 81 -9.891 -10.031 -8.261 1.00 0.75 H new ATOM 1219 N SER A 82 -7.173 -8.749 -6.807 1.00 0.54 N ATOM 1220 CA SER A 82 -5.846 -9.010 -6.221 1.00 0.49 C ATOM 1221 C SER A 82 -5.679 -8.277 -4.880 1.00 0.47 C ATOM 1222 O SER A 82 -6.518 -7.450 -4.524 1.00 0.67 O ATOM 1223 CB SER A 82 -4.792 -8.573 -7.238 1.00 0.49 C ATOM 1224 OG SER A 82 -3.493 -8.957 -6.848 1.00 1.47 O ATOM 0 H SER A 82 -7.375 -7.752 -6.885 1.00 0.54 H new ATOM 0 HA SER A 82 -5.731 -10.072 -6.005 1.00 0.49 H new ATOM 0 HB2 SER A 82 -5.023 -9.009 -8.210 1.00 0.49 H new ATOM 0 HB3 SER A 82 -4.830 -7.490 -7.357 1.00 0.49 H new ATOM 0 HG SER A 82 -2.904 -8.959 -7.631 1.00 1.47 H new ATOM 1230 N THR A 83 -4.622 -8.553 -4.111 1.00 0.54 N ATOM 1231 CA THR A 83 -4.387 -7.975 -2.770 1.00 0.49 C ATOM 1232 C THR A 83 -2.977 -7.388 -2.625 1.00 0.44 C ATOM 1233 O THR A 83 -2.043 -7.817 -3.307 1.00 0.45 O ATOM 1234 CB THR A 83 -4.680 -9.000 -1.659 1.00 0.65 C ATOM 1235 OG1 THR A 83 -4.044 -10.239 -1.905 1.00 0.82 O ATOM 1236 CG2 THR A 83 -6.177 -9.282 -1.519 1.00 0.74 C ATOM 0 H THR A 83 -3.886 -9.197 -4.402 1.00 0.54 H new ATOM 0 HA THR A 83 -5.087 -7.147 -2.659 1.00 0.49 H new ATOM 0 HB THR A 83 -4.295 -8.551 -0.744 1.00 0.65 H new ATOM 0 HG1 THR A 83 -4.251 -10.863 -1.178 1.00 0.82 H new ATOM 0 HG21 THR A 83 -6.337 -10.010 -0.724 1.00 0.74 H new ATOM 0 HG22 THR A 83 -6.700 -8.357 -1.275 1.00 0.74 H new ATOM 0 HG23 THR A 83 -6.562 -9.680 -2.458 1.00 0.74 H new ATOM 1244 N VAL A 84 -2.831 -6.344 -1.795 1.00 0.46 N ATOM 1245 CA VAL A 84 -1.575 -5.593 -1.587 1.00 0.49 C ATOM 1246 C VAL A 84 -1.344 -5.162 -0.130 1.00 0.53 C ATOM 1247 O VAL A 84 -2.286 -5.015 0.655 1.00 0.54 O ATOM 1248 CB VAL A 84 -1.485 -4.352 -2.509 1.00 0.51 C ATOM 1249 CG1 VAL A 84 -1.296 -4.752 -3.976 1.00 0.53 C ATOM 1250 CG2 VAL A 84 -2.695 -3.416 -2.383 1.00 0.52 C ATOM 0 H VAL A 84 -3.603 -5.986 -1.232 1.00 0.46 H new ATOM 0 HA VAL A 84 -0.786 -6.299 -1.848 1.00 0.49 H new ATOM 0 HB VAL A 84 -0.607 -3.802 -2.169 1.00 0.51 H new ATOM 0 HG11 VAL A 84 -1.237 -3.855 -4.593 1.00 0.53 H new ATOM 0 HG12 VAL A 84 -0.375 -5.326 -4.081 1.00 0.53 H new ATOM 0 HG13 VAL A 84 -2.141 -5.360 -4.299 1.00 0.53 H new ATOM 0 HG21 VAL A 84 -2.570 -2.567 -3.055 1.00 0.52 H new ATOM 0 HG22 VAL A 84 -3.603 -3.958 -2.648 1.00 0.52 H new ATOM 0 HG23 VAL A 84 -2.773 -3.058 -1.356 1.00 0.52 H new ATOM 1260 N ILE A 85 -0.074 -4.886 0.185 1.00 0.56 N ATOM 1261 CA ILE A 85 0.435 -4.261 1.418 1.00 0.55 C ATOM 1262 C ILE A 85 1.183 -2.955 1.118 1.00 0.56 C ATOM 1263 O ILE A 85 1.763 -2.774 0.041 1.00 0.88 O ATOM 1264 CB ILE A 85 1.340 -5.199 2.269 1.00 0.63 C ATOM 1265 CG1 ILE A 85 1.891 -6.463 1.572 1.00 1.01 C ATOM 1266 CG2 ILE A 85 0.589 -5.626 3.532 1.00 1.17 C ATOM 1267 CD1 ILE A 85 2.836 -6.169 0.405 1.00 0.78 C ATOM 0 H ILE A 85 0.684 -5.109 -0.461 1.00 0.56 H new ATOM 0 HA ILE A 85 -0.452 -4.045 2.014 1.00 0.55 H new ATOM 0 HB ILE A 85 2.220 -4.591 2.481 1.00 0.63 H new ATOM 0 HG12 ILE A 85 2.417 -7.071 2.308 1.00 1.01 H new ATOM 0 HG13 ILE A 85 1.054 -7.058 1.207 1.00 1.01 H new ATOM 0 HG21 ILE A 85 1.223 -6.283 4.128 1.00 1.17 H new ATOM 0 HG22 ILE A 85 0.330 -4.744 4.117 1.00 1.17 H new ATOM 0 HG23 ILE A 85 -0.321 -6.156 3.252 1.00 1.17 H new ATOM 0 HD11 ILE A 85 3.179 -7.107 -0.031 1.00 0.78 H new ATOM 0 HD12 ILE A 85 2.309 -5.588 -0.352 1.00 0.78 H new ATOM 0 HD13 ILE A 85 3.694 -5.601 0.766 1.00 0.78 H new ATOM 1279 N ALA A 86 1.186 -2.055 2.103 1.00 0.48 N ATOM 1280 CA ALA A 86 1.869 -0.769 2.024 1.00 0.51 C ATOM 1281 C ALA A 86 3.399 -0.908 1.931 1.00 0.49 C ATOM 1282 O ALA A 86 3.973 -1.878 2.419 1.00 0.48 O ATOM 1283 CB ALA A 86 1.467 0.084 3.232 1.00 0.63 C ATOM 0 H ALA A 86 0.706 -2.204 2.990 1.00 0.48 H new ATOM 0 HA ALA A 86 1.558 -0.279 1.101 1.00 0.51 H new ATOM 0 HB1 ALA A 86 1.973 1.048 3.181 1.00 0.63 H new ATOM 0 HB2 ALA A 86 0.388 0.240 3.225 1.00 0.63 H new ATOM 0 HB3 ALA A 86 1.753 -0.428 4.151 1.00 0.63 H new ATOM 1289 N GLY A 87 4.056 0.071 1.304 1.00 0.54 N ATOM 1290 CA GLY A 87 5.504 0.040 1.053 1.00 0.63 C ATOM 1291 C GLY A 87 5.921 -0.810 -0.158 1.00 0.66 C ATOM 1292 O GLY A 87 7.111 -0.962 -0.429 1.00 0.91 O ATOM 0 H GLY A 87 3.599 0.913 0.953 1.00 0.54 H new ATOM 0 HA2 GLY A 87 5.856 1.061 0.904 1.00 0.63 H new ATOM 0 HA3 GLY A 87 6.006 -0.344 1.941 1.00 0.63 H new ATOM 1296 N SER A 88 4.964 -1.350 -0.914 1.00 0.61 N ATOM 1297 CA SER A 88 5.236 -1.988 -2.210 1.00 0.67 C ATOM 1298 C SER A 88 5.339 -0.931 -3.321 1.00 0.54 C ATOM 1299 O SER A 88 4.725 0.137 -3.215 1.00 0.53 O ATOM 1300 CB SER A 88 4.192 -3.061 -2.542 1.00 0.89 C ATOM 1301 OG SER A 88 3.882 -3.853 -1.417 1.00 1.49 O ATOM 0 H SER A 88 3.979 -1.359 -0.649 1.00 0.61 H new ATOM 0 HA SER A 88 6.198 -2.496 -2.141 1.00 0.67 H new ATOM 0 HB2 SER A 88 3.285 -2.584 -2.912 1.00 0.89 H new ATOM 0 HB3 SER A 88 4.567 -3.698 -3.343 1.00 0.89 H new ATOM 0 HG SER A 88 3.137 -3.447 -0.926 1.00 1.49 H new ATOM 1307 N ILE A 89 6.081 -1.222 -4.394 1.00 0.53 N ATOM 1308 CA ILE A 89 6.263 -0.328 -5.561 1.00 0.54 C ATOM 1309 C ILE A 89 5.502 -0.881 -6.779 1.00 0.51 C ATOM 1310 O ILE A 89 5.446 -2.098 -6.948 1.00 0.56 O ATOM 1311 CB ILE A 89 7.762 -0.113 -5.898 1.00 0.60 C ATOM 1312 CG1 ILE A 89 8.729 -0.090 -4.688 1.00 0.69 C ATOM 1313 CG2 ILE A 89 7.932 1.172 -6.729 1.00 0.75 C ATOM 1314 CD1 ILE A 89 8.520 1.043 -3.674 1.00 0.85 C ATOM 0 H ILE A 89 6.586 -2.103 -4.486 1.00 0.53 H new ATOM 0 HA ILE A 89 5.851 0.647 -5.300 1.00 0.54 H new ATOM 0 HB ILE A 89 8.050 -0.996 -6.468 1.00 0.60 H new ATOM 0 HG12 ILE A 89 8.642 -1.041 -4.162 1.00 0.69 H new ATOM 0 HG13 ILE A 89 9.749 -0.027 -5.066 1.00 0.69 H new ATOM 0 HG21 ILE A 89 8.987 1.317 -6.962 1.00 0.75 H new ATOM 0 HG22 ILE A 89 7.364 1.084 -7.655 1.00 0.75 H new ATOM 0 HG23 ILE A 89 7.566 2.025 -6.158 1.00 0.75 H new ATOM 0 HD11 ILE A 89 9.254 0.955 -2.873 1.00 0.85 H new ATOM 0 HD12 ILE A 89 8.641 2.005 -4.173 1.00 0.85 H new ATOM 0 HD13 ILE A 89 7.516 0.975 -3.255 1.00 0.85 H new ATOM 1326 N ASN A 90 4.915 -0.019 -7.617 1.00 0.58 N ATOM 1327 CA ASN A 90 4.074 -0.376 -8.770 1.00 0.56 C ATOM 1328 C ASN A 90 4.764 -0.116 -10.126 1.00 0.75 C ATOM 1329 O ASN A 90 5.370 0.938 -10.300 1.00 0.90 O ATOM 1330 CB ASN A 90 2.770 0.438 -8.673 1.00 0.56 C ATOM 1331 CG ASN A 90 1.767 -0.015 -9.699 1.00 0.73 C ATOM 1332 OD1 ASN A 90 1.420 -1.182 -9.756 1.00 1.54 O ATOM 1333 ND2 ASN A 90 1.311 0.872 -10.543 1.00 0.54 N ATOM 0 H ASN A 90 5.016 0.990 -7.507 1.00 0.58 H new ATOM 0 HA ASN A 90 3.878 -1.448 -8.734 1.00 0.56 H new ATOM 0 HB2 ASN A 90 2.346 0.332 -7.675 1.00 0.56 H new ATOM 0 HB3 ASN A 90 2.988 1.496 -8.816 1.00 0.56 H new ATOM 0 HD21 ASN A 90 0.651 0.593 -11.269 1.00 0.54 H new ATOM 0 HD22 ASN A 90 1.615 1.843 -10.476 1.00 0.54 H new ATOM 1340 N GLN A 91 4.618 -1.003 -11.123 1.00 0.84 N ATOM 1341 CA GLN A 91 5.233 -0.829 -12.451 1.00 1.03 C ATOM 1342 C GLN A 91 4.454 -1.517 -13.594 1.00 1.56 C ATOM 1343 O GLN A 91 4.357 -2.747 -13.613 1.00 3.05 O ATOM 1344 CB GLN A 91 6.666 -1.390 -12.390 1.00 1.10 C ATOM 1345 CG GLN A 91 7.608 -0.897 -13.505 1.00 1.60 C ATOM 1346 CD GLN A 91 8.100 0.530 -13.276 1.00 2.26 C ATOM 1347 OE1 GLN A 91 7.865 1.436 -14.074 1.00 3.78 O ATOM 1348 NE2 GLN A 91 8.823 0.776 -12.208 1.00 2.35 N ATOM 0 H GLN A 91 4.072 -1.860 -11.033 1.00 0.84 H new ATOM 0 HA GLN A 91 5.223 0.236 -12.682 1.00 1.03 H new ATOM 0 HB2 GLN A 91 7.101 -1.128 -11.426 1.00 1.10 H new ATOM 0 HB3 GLN A 91 6.616 -2.478 -12.432 1.00 1.10 H new ATOM 0 HG2 GLN A 91 8.466 -1.566 -13.572 1.00 1.60 H new ATOM 0 HG3 GLN A 91 7.089 -0.948 -14.462 1.00 1.60 H new ATOM 0 HE21 GLN A 91 9.021 0.028 -11.543 1.00 2.35 H new ATOM 0 HE22 GLN A 91 9.187 1.715 -12.043 1.00 2.35 H new ATOM 1357 N ASN A 92 3.926 -0.717 -14.532 1.00 1.07 N ATOM 1358 CA ASN A 92 3.349 -1.018 -15.864 1.00 1.44 C ATOM 1359 C ASN A 92 2.299 0.058 -16.219 1.00 1.49 C ATOM 1360 O ASN A 92 2.364 0.653 -17.297 1.00 2.68 O ATOM 1361 CB ASN A 92 2.705 -2.410 -15.995 1.00 2.18 C ATOM 1362 CG ASN A 92 2.199 -2.688 -17.396 1.00 2.68 C ATOM 1363 OD1 ASN A 92 2.786 -2.295 -18.396 1.00 3.12 O ATOM 1364 ND2 ASN A 92 1.079 -3.344 -17.524 1.00 2.93 N ATOM 0 H ASN A 92 3.886 0.287 -14.358 1.00 1.07 H new ATOM 0 HA ASN A 92 4.191 -1.012 -16.557 1.00 1.44 H new ATOM 0 HB2 ASN A 92 3.434 -3.171 -15.718 1.00 2.18 H new ATOM 0 HB3 ASN A 92 1.877 -2.491 -15.291 1.00 2.18 H new ATOM 0 HD21 ASN A 92 0.698 -3.526 -18.452 1.00 2.93 H new ATOM 0 HD22 ASN A 92 0.584 -3.675 -16.696 1.00 2.93 H new ATOM 1371 N GLY A 93 1.348 0.310 -15.313 1.00 1.03 N ATOM 1372 CA GLY A 93 0.202 1.209 -15.499 1.00 1.64 C ATOM 1373 C GLY A 93 -0.451 1.611 -14.167 1.00 1.41 C ATOM 1374 O GLY A 93 0.021 1.220 -13.098 1.00 2.00 O ATOM 0 H GLY A 93 1.356 -0.125 -14.391 1.00 1.03 H new ATOM 0 HA2 GLY A 93 0.529 2.106 -16.025 1.00 1.64 H new ATOM 0 HA3 GLY A 93 -0.540 0.721 -16.131 1.00 1.64 H new ATOM 1378 N SER A 94 -1.522 2.406 -14.212 1.00 1.14 N ATOM 1379 CA SER A 94 -2.241 2.869 -13.013 1.00 0.91 C ATOM 1380 C SER A 94 -3.366 1.923 -12.578 1.00 0.79 C ATOM 1381 O SER A 94 -4.145 1.454 -13.414 1.00 0.99 O ATOM 1382 CB SER A 94 -2.773 4.292 -13.205 1.00 1.37 C ATOM 1383 OG SER A 94 -3.594 4.394 -14.353 1.00 1.86 O ATOM 0 H SER A 94 -1.921 2.751 -15.085 1.00 1.14 H new ATOM 0 HA SER A 94 -1.510 2.872 -12.205 1.00 0.91 H new ATOM 0 HB2 SER A 94 -3.341 4.590 -12.324 1.00 1.37 H new ATOM 0 HB3 SER A 94 -1.936 4.984 -13.294 1.00 1.37 H new ATOM 0 HG SER A 94 -3.917 5.315 -14.443 1.00 1.86 H new ATOM 1389 N LEU A 95 -3.459 1.643 -11.272 1.00 0.64 N ATOM 1390 CA LEU A 95 -4.434 0.706 -10.688 1.00 0.59 C ATOM 1391 C LEU A 95 -5.331 1.362 -9.617 1.00 0.52 C ATOM 1392 O LEU A 95 -5.022 2.426 -9.071 1.00 0.51 O ATOM 1393 CB LEU A 95 -3.725 -0.518 -10.067 1.00 0.61 C ATOM 1394 CG LEU A 95 -2.554 -1.184 -10.798 1.00 0.85 C ATOM 1395 CD1 LEU A 95 -2.076 -2.344 -9.920 1.00 0.91 C ATOM 1396 CD2 LEU A 95 -2.955 -1.744 -12.149 1.00 1.29 C ATOM 0 H LEU A 95 -2.847 2.069 -10.576 1.00 0.64 H new ATOM 0 HA LEU A 95 -5.071 0.389 -11.514 1.00 0.59 H new ATOM 0 HB2 LEU A 95 -3.363 -0.217 -9.084 1.00 0.61 H new ATOM 0 HB3 LEU A 95 -4.484 -1.284 -9.907 1.00 0.61 H new ATOM 0 HG LEU A 95 -1.780 -0.436 -10.970 1.00 0.85 H new ATOM 0 HD11 LEU A 95 -1.240 -2.847 -10.405 1.00 0.91 H new ATOM 0 HD12 LEU A 95 -1.755 -1.959 -8.952 1.00 0.91 H new ATOM 0 HD13 LEU A 95 -2.892 -3.052 -9.777 1.00 0.91 H new ATOM 0 HD21 LEU A 95 -2.089 -2.204 -12.624 1.00 1.29 H new ATOM 0 HD22 LEU A 95 -3.736 -2.493 -12.015 1.00 1.29 H new ATOM 0 HD23 LEU A 95 -3.329 -0.938 -12.780 1.00 1.29 H new ATOM 1408 N LEU A 96 -6.418 0.670 -9.262 1.00 0.58 N ATOM 1409 CA LEU A 96 -7.419 1.105 -8.281 1.00 0.58 C ATOM 1410 C LEU A 96 -7.459 0.167 -7.064 1.00 0.53 C ATOM 1411 O LEU A 96 -7.809 -1.009 -7.201 1.00 0.55 O ATOM 1412 CB LEU A 96 -8.765 1.172 -9.018 1.00 0.89 C ATOM 1413 CG LEU A 96 -9.915 1.878 -8.279 1.00 1.88 C ATOM 1414 CD1 LEU A 96 -11.004 2.188 -9.302 1.00 2.86 C ATOM 1415 CD2 LEU A 96 -10.527 1.079 -7.149 1.00 3.62 C ATOM 0 H LEU A 96 -6.634 -0.242 -9.664 1.00 0.58 H new ATOM 0 HA LEU A 96 -7.169 2.086 -7.876 1.00 0.58 H new ATOM 0 HB2 LEU A 96 -8.608 1.679 -9.970 1.00 0.89 H new ATOM 0 HB3 LEU A 96 -9.080 0.154 -9.247 1.00 0.89 H new ATOM 0 HG LEU A 96 -9.493 2.771 -7.819 1.00 1.88 H new ATOM 0 HD11 LEU A 96 -11.835 2.690 -8.807 1.00 2.86 H new ATOM 0 HD12 LEU A 96 -10.599 2.836 -10.079 1.00 2.86 H new ATOM 0 HD13 LEU A 96 -11.356 1.259 -9.751 1.00 2.86 H new ATOM 0 HD21 LEU A 96 -11.328 1.656 -6.688 1.00 3.62 H new ATOM 0 HD22 LEU A 96 -10.931 0.146 -7.541 1.00 3.62 H new ATOM 0 HD23 LEU A 96 -9.763 0.859 -6.404 1.00 3.62 H new ATOM 1427 N ILE A 97 -7.141 0.700 -5.879 1.00 0.49 N ATOM 1428 CA ILE A 97 -7.156 -0.022 -4.601 1.00 0.43 C ATOM 1429 C ILE A 97 -8.297 0.463 -3.694 1.00 0.39 C ATOM 1430 O ILE A 97 -8.338 1.627 -3.294 1.00 0.39 O ATOM 1431 CB ILE A 97 -5.800 0.111 -3.863 1.00 0.48 C ATOM 1432 CG1 ILE A 97 -4.565 -0.118 -4.765 1.00 0.70 C ATOM 1433 CG2 ILE A 97 -5.734 -0.901 -2.702 1.00 0.52 C ATOM 1434 CD1 ILE A 97 -4.026 1.157 -5.427 1.00 1.34 C ATOM 0 H ILE A 97 -6.858 1.675 -5.779 1.00 0.49 H new ATOM 0 HA ILE A 97 -7.324 -1.074 -4.832 1.00 0.43 H new ATOM 0 HB ILE A 97 -5.761 1.141 -3.509 1.00 0.48 H new ATOM 0 HG12 ILE A 97 -3.771 -0.568 -4.168 1.00 0.70 H new ATOM 0 HG13 ILE A 97 -4.825 -0.836 -5.543 1.00 0.70 H new ATOM 0 HG21 ILE A 97 -4.778 -0.802 -2.187 1.00 0.52 H new ATOM 0 HG22 ILE A 97 -6.545 -0.704 -2.001 1.00 0.52 H new ATOM 0 HG23 ILE A 97 -5.832 -1.913 -3.095 1.00 0.52 H new ATOM 0 HD11 ILE A 97 -3.161 0.910 -6.042 1.00 1.34 H new ATOM 0 HD12 ILE A 97 -4.802 1.598 -6.053 1.00 1.34 H new ATOM 0 HD13 ILE A 97 -3.732 1.870 -4.657 1.00 1.34 H new ATOM 1446 N CYS A 98 -9.209 -0.431 -3.308 1.00 0.44 N ATOM 1447 CA CYS A 98 -10.160 -0.150 -2.236 1.00 0.47 C ATOM 1448 C CYS A 98 -9.476 -0.470 -0.897 1.00 0.56 C ATOM 1449 O CYS A 98 -9.037 -1.603 -0.662 1.00 0.70 O ATOM 1450 CB CYS A 98 -11.497 -0.881 -2.455 1.00 0.61 C ATOM 1451 SG CYS A 98 -11.291 -2.671 -2.664 1.00 1.48 S ATOM 0 H CYS A 98 -9.308 -1.357 -3.724 1.00 0.44 H new ATOM 0 HA CYS A 98 -10.434 0.905 -2.230 1.00 0.47 H new ATOM 0 HB2 CYS A 98 -12.153 -0.692 -1.605 1.00 0.61 H new ATOM 0 HB3 CYS A 98 -11.990 -0.471 -3.336 1.00 0.61 H new ATOM 0 HG CYS A 98 -10.039 -2.941 -2.886 1.00 1.48 H new ATOM 1457 N ALA A 99 -9.366 0.527 -0.015 1.00 0.57 N ATOM 1458 CA ALA A 99 -8.657 0.364 1.252 1.00 0.72 C ATOM 1459 C ALA A 99 -9.504 -0.452 2.241 1.00 0.98 C ATOM 1460 O ALA A 99 -10.727 -0.537 2.106 1.00 1.63 O ATOM 1461 CB ALA A 99 -8.301 1.750 1.805 1.00 0.79 C ATOM 0 H ALA A 99 -9.761 1.457 -0.158 1.00 0.57 H new ATOM 0 HA ALA A 99 -7.733 -0.192 1.095 1.00 0.72 H new ATOM 0 HB1 ALA A 99 -7.771 1.639 2.751 1.00 0.79 H new ATOM 0 HB2 ALA A 99 -7.664 2.274 1.092 1.00 0.79 H new ATOM 0 HB3 ALA A 99 -9.214 2.323 1.965 1.00 0.79 H new ATOM 1467 N THR A 100 -8.856 -1.072 3.226 1.00 0.77 N ATOM 1468 CA THR A 100 -9.559 -1.826 4.283 1.00 0.91 C ATOM 1469 C THR A 100 -8.954 -1.681 5.681 1.00 0.84 C ATOM 1470 O THR A 100 -9.617 -2.019 6.660 1.00 0.82 O ATOM 1471 CB THR A 100 -9.711 -3.292 3.857 1.00 1.12 C ATOM 1472 OG1 THR A 100 -10.628 -3.961 4.691 1.00 2.16 O ATOM 1473 CG2 THR A 100 -8.397 -4.063 3.878 1.00 2.54 C ATOM 0 H THR A 100 -7.840 -1.071 3.321 1.00 0.77 H new ATOM 0 HA THR A 100 -10.547 -1.378 4.385 1.00 0.91 H new ATOM 0 HB THR A 100 -10.072 -3.262 2.829 1.00 1.12 H new ATOM 0 HG1 THR A 100 -10.652 -3.524 5.568 1.00 2.16 H new ATOM 0 HG21 THR A 100 -8.574 -5.092 3.567 1.00 2.54 H new ATOM 0 HG22 THR A 100 -7.689 -3.594 3.195 1.00 2.54 H new ATOM 0 HG23 THR A 100 -7.987 -4.055 4.888 1.00 2.54 H new ATOM 1481 N HIS A 101 -7.774 -1.067 5.799 1.00 0.84 N ATOM 1482 CA HIS A 101 -7.173 -0.660 7.069 1.00 0.77 C ATOM 1483 C HIS A 101 -6.492 0.708 6.926 1.00 0.75 C ATOM 1484 O HIS A 101 -5.915 1.004 5.877 1.00 0.83 O ATOM 1485 CB HIS A 101 -6.160 -1.723 7.530 1.00 0.96 C ATOM 1486 CG HIS A 101 -6.757 -3.099 7.684 1.00 1.17 C ATOM 1487 ND1 HIS A 101 -6.505 -4.183 6.877 1.00 1.46 N ATOM 1488 CD2 HIS A 101 -7.712 -3.482 8.586 1.00 1.33 C ATOM 1489 CE1 HIS A 101 -7.292 -5.195 7.274 1.00 1.62 C ATOM 1490 NE2 HIS A 101 -8.051 -4.817 8.320 1.00 1.57 N ATOM 0 H HIS A 101 -7.196 -0.834 4.992 1.00 0.84 H new ATOM 0 HA HIS A 101 -7.958 -0.572 7.820 1.00 0.77 H new ATOM 0 HB2 HIS A 101 -5.342 -1.769 6.811 1.00 0.96 H new ATOM 0 HB3 HIS A 101 -5.730 -1.414 8.483 1.00 0.96 H new ATOM 0 HD1 HIS A 101 -5.835 -4.213 6.109 1.00 1.46 H new ATOM 0 HD2 HIS A 101 -8.131 -2.864 9.366 1.00 1.33 H new ATOM 0 HE1 HIS A 101 -7.314 -6.174 6.819 1.00 1.62 H new ATOM 1498 N VAL A 102 -6.540 1.546 7.968 1.00 0.75 N ATOM 1499 CA VAL A 102 -5.710 2.763 8.050 1.00 0.82 C ATOM 1500 C VAL A 102 -4.251 2.375 8.253 1.00 0.96 C ATOM 1501 O VAL A 102 -3.966 1.262 8.691 1.00 0.93 O ATOM 1502 CB VAL A 102 -6.184 3.750 9.132 1.00 0.95 C ATOM 1503 CG1 VAL A 102 -7.555 4.276 8.735 1.00 1.47 C ATOM 1504 CG2 VAL A 102 -6.213 3.207 10.562 1.00 1.52 C ATOM 0 H VAL A 102 -7.149 1.405 8.774 1.00 0.75 H new ATOM 0 HA VAL A 102 -5.816 3.294 7.104 1.00 0.82 H new ATOM 0 HB VAL A 102 -5.437 4.543 9.168 1.00 0.95 H new ATOM 0 HG11 VAL A 102 -7.908 4.978 9.490 1.00 1.47 H new ATOM 0 HG12 VAL A 102 -7.485 4.783 7.773 1.00 1.47 H new ATOM 0 HG13 VAL A 102 -8.255 3.444 8.657 1.00 1.47 H new ATOM 0 HG21 VAL A 102 -6.562 3.986 11.240 1.00 1.52 H new ATOM 0 HG22 VAL A 102 -6.888 2.353 10.613 1.00 1.52 H new ATOM 0 HG23 VAL A 102 -5.210 2.895 10.853 1.00 1.52 H new ATOM 1514 N GLY A 103 -3.302 3.270 7.975 1.00 1.20 N ATOM 1515 CA GLY A 103 -1.871 2.907 7.970 1.00 1.43 C ATOM 1516 C GLY A 103 -1.364 2.368 9.314 1.00 1.46 C ATOM 1517 O GLY A 103 -0.612 1.392 9.348 1.00 1.52 O ATOM 0 H GLY A 103 -3.489 4.247 7.751 1.00 1.20 H new ATOM 0 HA2 GLY A 103 -1.699 2.155 7.200 1.00 1.43 H new ATOM 0 HA3 GLY A 103 -1.284 3.784 7.696 1.00 1.43 H new ATOM 1521 N ALA A 104 -1.858 2.912 10.428 1.00 1.52 N ATOM 1522 CA ALA A 104 -1.618 2.388 11.775 1.00 1.60 C ATOM 1523 C ALA A 104 -2.224 0.982 12.015 1.00 1.34 C ATOM 1524 O ALA A 104 -1.617 0.141 12.682 1.00 1.36 O ATOM 1525 CB ALA A 104 -2.211 3.407 12.751 1.00 1.88 C ATOM 0 H ALA A 104 -2.447 3.745 10.420 1.00 1.52 H new ATOM 0 HA ALA A 104 -0.546 2.256 11.919 1.00 1.60 H new ATOM 0 HB1 ALA A 104 -2.058 3.063 13.774 1.00 1.88 H new ATOM 0 HB2 ALA A 104 -1.719 4.370 12.615 1.00 1.88 H new ATOM 0 HB3 ALA A 104 -3.279 3.515 12.560 1.00 1.88 H new ATOM 1531 N ASP A 105 -3.416 0.730 11.474 1.00 1.19 N ATOM 1532 CA ASP A 105 -4.160 -0.540 11.519 1.00 1.14 C ATOM 1533 C ASP A 105 -3.650 -1.628 10.543 1.00 1.01 C ATOM 1534 O ASP A 105 -4.125 -2.766 10.578 1.00 1.20 O ATOM 1535 CB ASP A 105 -5.665 -0.239 11.402 1.00 1.38 C ATOM 1536 CG ASP A 105 -6.590 -1.335 11.944 1.00 1.76 C ATOM 1537 OD1 ASP A 105 -6.180 -2.120 12.835 1.00 2.35 O ATOM 1538 OD2 ASP A 105 -7.777 -1.374 11.534 1.00 2.47 O ATOM 0 H ASP A 105 -3.924 1.449 10.959 1.00 1.19 H new ATOM 0 HA ASP A 105 -3.972 -1.006 12.486 1.00 1.14 H new ATOM 0 HB2 ASP A 105 -5.877 0.689 11.933 1.00 1.38 H new ATOM 0 HB3 ASP A 105 -5.905 -0.068 10.353 1.00 1.38 H new ATOM 1543 N THR A 106 -2.695 -1.314 9.656 1.00 0.90 N ATOM 1544 CA THR A 106 -2.118 -2.278 8.693 1.00 0.99 C ATOM 1545 C THR A 106 -1.336 -3.409 9.367 1.00 1.10 C ATOM 1546 O THR A 106 -0.818 -3.260 10.481 1.00 1.14 O ATOM 1547 CB THR A 106 -1.181 -1.627 7.660 1.00 1.09 C ATOM 1548 OG1 THR A 106 -0.079 -1.012 8.284 1.00 1.45 O ATOM 1549 CG2 THR A 106 -1.876 -0.649 6.725 1.00 1.55 C ATOM 0 H THR A 106 -2.295 -0.379 9.582 1.00 0.90 H new ATOM 0 HA THR A 106 -2.995 -2.682 8.188 1.00 0.99 H new ATOM 0 HB THR A 106 -0.828 -2.448 7.036 1.00 1.09 H new ATOM 0 HG1 THR A 106 -0.286 -0.070 8.460 1.00 1.45 H new ATOM 0 HG21 THR A 106 -1.149 -0.233 6.028 1.00 1.55 H new ATOM 0 HG22 THR A 106 -2.656 -1.169 6.169 1.00 1.55 H new ATOM 0 HG23 THR A 106 -2.322 0.157 7.308 1.00 1.55 H new ATOM 1557 N THR A 107 -1.180 -4.529 8.658 1.00 1.21 N ATOM 1558 CA THR A 107 -0.367 -5.675 9.109 1.00 1.32 C ATOM 1559 C THR A 107 1.112 -5.299 9.222 1.00 1.30 C ATOM 1560 O THR A 107 1.766 -5.691 10.184 1.00 1.27 O ATOM 1561 CB THR A 107 -0.560 -6.879 8.175 1.00 1.53 C ATOM 1562 OG1 THR A 107 -1.925 -7.229 8.176 1.00 2.83 O ATOM 1563 CG2 THR A 107 0.221 -8.121 8.597 1.00 2.95 C ATOM 0 H THR A 107 -1.615 -4.673 7.747 1.00 1.21 H new ATOM 0 HA THR A 107 -0.711 -5.958 10.104 1.00 1.32 H new ATOM 0 HB THR A 107 -0.193 -6.571 7.196 1.00 1.53 H new ATOM 0 HG1 THR A 107 -2.066 -7.996 7.583 1.00 2.83 H new ATOM 0 HG21 THR A 107 0.033 -8.927 7.888 1.00 2.95 H new ATOM 0 HG22 THR A 107 1.287 -7.893 8.612 1.00 2.95 H new ATOM 0 HG23 THR A 107 -0.098 -8.431 9.592 1.00 2.95 H new ATOM 1571 N LEU A 108 1.617 -4.441 8.328 1.00 1.36 N ATOM 1572 CA LEU A 108 2.955 -3.845 8.401 1.00 1.34 C ATOM 1573 C LEU A 108 3.202 -3.162 9.763 1.00 1.22 C ATOM 1574 O LEU A 108 4.211 -3.415 10.424 1.00 1.19 O ATOM 1575 CB LEU A 108 3.056 -2.829 7.247 1.00 1.49 C ATOM 1576 CG LEU A 108 4.491 -2.363 6.947 1.00 0.80 C ATOM 1577 CD1 LEU A 108 5.217 -3.373 6.068 1.00 1.63 C ATOM 1578 CD2 LEU A 108 4.454 -1.054 6.172 1.00 0.82 C ATOM 0 H LEU A 108 1.090 -4.134 7.510 1.00 1.36 H new ATOM 0 HA LEU A 108 3.718 -4.618 8.308 1.00 1.34 H new ATOM 0 HB2 LEU A 108 2.634 -3.275 6.346 1.00 1.49 H new ATOM 0 HB3 LEU A 108 2.445 -1.959 7.488 1.00 1.49 H new ATOM 0 HG LEU A 108 5.005 -2.250 7.901 1.00 0.80 H new ATOM 0 HD11 LEU A 108 6.229 -3.021 5.870 1.00 1.63 H new ATOM 0 HD12 LEU A 108 5.261 -4.335 6.579 1.00 1.63 H new ATOM 0 HD13 LEU A 108 4.681 -3.487 5.126 1.00 1.63 H new ATOM 0 HD21 LEU A 108 5.472 -0.727 5.961 1.00 0.82 H new ATOM 0 HD22 LEU A 108 3.919 -1.202 5.234 1.00 0.82 H new ATOM 0 HD23 LEU A 108 3.944 -0.294 6.765 1.00 0.82 H new ATOM 1590 N SER A 109 2.238 -2.350 10.212 1.00 1.23 N ATOM 1591 CA SER A 109 2.261 -1.674 11.514 1.00 1.21 C ATOM 1592 C SER A 109 2.119 -2.634 12.709 1.00 1.10 C ATOM 1593 O SER A 109 2.698 -2.366 13.762 1.00 1.09 O ATOM 1594 CB SER A 109 1.163 -0.607 11.546 1.00 1.38 C ATOM 1595 OG SER A 109 1.540 0.524 10.778 1.00 1.94 O ATOM 0 H SER A 109 1.401 -2.140 9.668 1.00 1.23 H new ATOM 0 HA SER A 109 3.243 -1.213 11.621 1.00 1.21 H new ATOM 0 HB2 SER A 109 0.233 -1.023 11.158 1.00 1.38 H new ATOM 0 HB3 SER A 109 0.972 -0.306 12.576 1.00 1.38 H new ATOM 0 HG SER A 109 0.794 0.791 10.201 1.00 1.94 H new ATOM 1601 N GLN A 110 1.411 -3.762 12.558 1.00 1.10 N ATOM 1602 CA GLN A 110 1.349 -4.830 13.572 1.00 1.05 C ATOM 1603 C GLN A 110 2.690 -5.580 13.691 1.00 1.05 C ATOM 1604 O GLN A 110 3.134 -5.856 14.804 1.00 1.06 O ATOM 1605 CB GLN A 110 0.176 -5.783 13.267 1.00 1.16 C ATOM 1606 CG GLN A 110 0.023 -6.950 14.254 1.00 1.20 C ATOM 1607 CD GLN A 110 -0.697 -6.522 15.518 1.00 1.41 C ATOM 1608 OE1 GLN A 110 -0.112 -6.270 16.565 1.00 1.41 O ATOM 1609 NE2 GLN A 110 -1.996 -6.399 15.447 1.00 1.77 N ATOM 0 H GLN A 110 0.860 -3.963 11.723 1.00 1.10 H new ATOM 0 HA GLN A 110 1.167 -4.373 14.545 1.00 1.05 H new ATOM 0 HB2 GLN A 110 -0.750 -5.207 13.260 1.00 1.16 H new ATOM 0 HB3 GLN A 110 0.307 -6.188 12.264 1.00 1.16 H new ATOM 0 HG2 GLN A 110 -0.528 -7.760 13.777 1.00 1.20 H new ATOM 0 HG3 GLN A 110 1.007 -7.342 14.510 1.00 1.20 H new ATOM 0 HE21 GLN A 110 -2.481 -6.609 14.575 1.00 1.77 H new ATOM 0 HE22 GLN A 110 -2.525 -6.093 16.264 1.00 1.77 H new ATOM 1618 N ILE A 111 3.369 -5.876 12.575 1.00 1.09 N ATOM 1619 CA ILE A 111 4.656 -6.599 12.563 1.00 1.11 C ATOM 1620 C ILE A 111 5.712 -5.851 13.388 1.00 1.06 C ATOM 1621 O ILE A 111 6.342 -6.458 14.260 1.00 1.07 O ATOM 1622 CB ILE A 111 5.112 -6.865 11.105 1.00 1.25 C ATOM 1623 CG1 ILE A 111 4.202 -7.936 10.457 1.00 1.39 C ATOM 1624 CG2 ILE A 111 6.581 -7.328 11.034 1.00 1.29 C ATOM 1625 CD1 ILE A 111 4.325 -8.008 8.928 1.00 1.60 C ATOM 0 H ILE A 111 3.041 -5.620 11.644 1.00 1.09 H new ATOM 0 HA ILE A 111 4.523 -7.571 13.039 1.00 1.11 H new ATOM 0 HB ILE A 111 5.031 -5.924 10.560 1.00 1.25 H new ATOM 0 HG12 ILE A 111 4.447 -8.911 10.879 1.00 1.39 H new ATOM 0 HG13 ILE A 111 3.165 -7.726 10.720 1.00 1.39 H new ATOM 0 HG21 ILE A 111 6.858 -7.503 9.994 1.00 1.29 H new ATOM 0 HG22 ILE A 111 7.226 -6.558 11.457 1.00 1.29 H new ATOM 0 HG23 ILE A 111 6.699 -8.251 11.601 1.00 1.29 H new ATOM 0 HD11 ILE A 111 3.658 -8.781 8.545 1.00 1.60 H new ATOM 0 HD12 ILE A 111 4.052 -7.046 8.495 1.00 1.60 H new ATOM 0 HD13 ILE A 111 5.353 -8.249 8.657 1.00 1.60 H new ATOM 1637 N VAL A 112 5.869 -4.536 13.173 1.00 1.07 N ATOM 1638 CA VAL A 112 6.827 -3.731 13.957 1.00 1.11 C ATOM 1639 C VAL A 112 6.453 -3.610 15.437 1.00 1.16 C ATOM 1640 O VAL A 112 7.344 -3.465 16.270 1.00 1.24 O ATOM 1641 CB VAL A 112 7.097 -2.335 13.365 1.00 1.20 C ATOM 1642 CG1 VAL A 112 7.794 -2.439 12.005 1.00 1.14 C ATOM 1643 CG2 VAL A 112 5.845 -1.470 13.225 1.00 1.31 C ATOM 0 H VAL A 112 5.352 -4.008 12.470 1.00 1.07 H new ATOM 0 HA VAL A 112 7.754 -4.300 13.891 1.00 1.11 H new ATOM 0 HB VAL A 112 7.750 -1.841 14.085 1.00 1.20 H new ATOM 0 HG11 VAL A 112 7.972 -1.439 11.610 1.00 1.14 H new ATOM 0 HG12 VAL A 112 8.745 -2.958 12.122 1.00 1.14 H new ATOM 0 HG13 VAL A 112 7.161 -2.995 11.313 1.00 1.14 H new ATOM 0 HG21 VAL A 112 6.116 -0.503 12.801 1.00 1.31 H new ATOM 0 HG22 VAL A 112 5.131 -1.967 12.568 1.00 1.31 H new ATOM 0 HG23 VAL A 112 5.393 -1.323 14.206 1.00 1.31 H new