USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 580 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 31 MET CE :methyl -164:sc= 0 (180deg=-0.271) USER MOD Set 1.2: A 63 LYS NZ :NH3+ -121:sc= -0.0951 (180deg=-0.214) USER MOD Set 2.1: A 11 GLN : amide:sc= -0.268 X(o=0.89,f=0.73) USER MOD Set 2.2: A 45 THR OG1 : rot 67:sc= 1.15 USER MOD Single : A 1 MET CE :methyl -175:sc= 0 (180deg=-0.0532) USER MOD Single : A 1 MET N :NH3+ 153:sc= 0.0696 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 GLN : amide:sc= -1.18 K(o=-1.2,f=-4.3!) USER MOD Single : A 6 LYS NZ :NH3+ -175:sc= 0.481 (180deg=0.379) USER MOD Single : A 10 MET CE :methyl 153:sc= -0.651 (180deg=-1.96!) USER MOD Single : A 13 SER OG : rot 13:sc= 0.877 USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 134:sc= 0.235 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -0.0663 X(o=-0.066,f=-0.021) USER MOD Single : A 40 ASN : amide:sc= -0.0867 K(o=-0.087,f=-1.9) USER MOD Single : A 43 THR OG1 : rot -48:sc= 0.365 USER MOD Single : A 47 ASN : amide:sc= 0.943 K(o=0.94,f=-0.0065) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot -108:sc= 0.426 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0.0718 USER MOD Single : A 61 GLN :FLIP amide:sc= 0 F(o=-1.3,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 180:sc= -0.631 USER MOD Single : A 70 HIS : no HD1:sc= -0.104 X(o=-0.1,f=-0.27) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.697 20.343 15.796 1.00 5.48 N ATOM 2 CA MET A 1 -2.040 20.079 14.508 1.00 4.84 C ATOM 3 C MET A 1 -0.718 19.401 14.841 1.00 2.98 C ATOM 4 O MET A 1 -0.029 19.919 15.715 1.00 3.14 O ATOM 5 CB MET A 1 -1.788 21.406 13.774 1.00 6.41 C ATOM 6 CG MET A 1 -1.323 21.223 12.321 1.00 7.90 C ATOM 7 SD MET A 1 -0.215 22.517 11.698 1.00 9.63 S ATOM 8 CE MET A 1 -1.175 24.007 12.046 1.00 11.02 C ATOM 0 H1 MET A 1 -3.330 21.163 15.701 1.00 5.48 H new ATOM 0 H2 MET A 1 -3.250 19.510 16.081 1.00 5.48 H new ATOM 0 H3 MET A 1 -1.976 20.544 16.519 1.00 5.48 H new ATOM 0 HA MET A 1 -2.654 19.453 13.861 1.00 4.84 H new ATOM 0 HB2 MET A 1 -2.704 21.997 13.782 1.00 6.41 H new ATOM 0 HB3 MET A 1 -1.036 21.977 14.319 1.00 6.41 H new ATOM 0 HG2 MET A 1 -0.817 20.261 12.236 1.00 7.90 H new ATOM 0 HG3 MET A 1 -2.202 21.178 11.678 1.00 7.90 H new ATOM 0 HE1 MET A 1 -0.659 24.876 11.637 1.00 11.02 H new ATOM 0 HE2 MET A 1 -2.160 23.920 11.587 1.00 11.02 H new ATOM 0 HE3 MET A 1 -1.286 24.125 13.124 1.00 11.02 H new ATOM 20 N LEU A 2 -0.396 18.264 14.222 1.00 2.14 N ATOM 21 CA LEU A 2 0.915 17.644 14.362 1.00 1.59 C ATOM 22 C LEU A 2 1.092 16.664 13.204 1.00 2.07 C ATOM 23 O LEU A 2 1.773 17.006 12.246 1.00 4.08 O ATOM 24 CB LEU A 2 1.109 17.022 15.764 1.00 2.53 C ATOM 25 CG LEU A 2 2.578 17.053 16.221 1.00 4.32 C ATOM 26 CD1 LEU A 2 2.647 16.862 17.741 1.00 5.52 C ATOM 27 CD2 LEU A 2 3.422 15.975 15.531 1.00 5.79 C ATOM 0 H LEU A 2 -1.035 17.752 13.614 1.00 2.14 H new ATOM 0 HA LEU A 2 1.708 18.389 14.299 1.00 1.59 H new ATOM 0 HB2 LEU A 2 0.495 17.561 16.486 1.00 2.53 H new ATOM 0 HB3 LEU A 2 0.756 15.991 15.753 1.00 2.53 H new ATOM 0 HG LEU A 2 2.989 18.023 15.942 1.00 4.32 H new ATOM 0 HD11 LEU A 2 3.688 16.884 18.064 1.00 5.52 H new ATOM 0 HD12 LEU A 2 2.097 17.664 18.234 1.00 5.52 H new ATOM 0 HD13 LEU A 2 2.205 15.902 18.008 1.00 5.52 H new ATOM 0 HD21 LEU A 2 4.451 16.036 15.885 1.00 5.79 H new ATOM 0 HD22 LEU A 2 3.016 14.991 15.764 1.00 5.79 H new ATOM 0 HD23 LEU A 2 3.400 16.131 14.452 1.00 5.79 H new ATOM 39 N SER A 3 0.417 15.510 13.274 1.00 0.68 N ATOM 40 CA SER A 3 0.379 14.472 12.246 1.00 0.68 C ATOM 41 C SER A 3 1.779 14.108 11.744 1.00 0.67 C ATOM 42 O SER A 3 2.298 14.740 10.823 1.00 0.90 O ATOM 43 CB SER A 3 -0.539 14.895 11.097 1.00 0.95 C ATOM 44 OG SER A 3 -1.799 15.292 11.617 1.00 1.05 O ATOM 0 H SER A 3 -0.144 15.267 14.091 1.00 0.68 H new ATOM 0 HA SER A 3 -0.031 13.569 12.698 1.00 0.68 H new ATOM 0 HB2 SER A 3 -0.088 15.717 10.541 1.00 0.95 H new ATOM 0 HB3 SER A 3 -0.667 14.069 10.397 1.00 0.95 H new ATOM 0 HG SER A 3 -2.386 15.564 10.881 1.00 1.05 H new ATOM 50 N GLU A 4 2.399 13.087 12.337 1.00 0.59 N ATOM 51 CA GLU A 4 3.715 12.683 11.899 1.00 0.58 C ATOM 52 C GLU A 4 3.582 11.985 10.549 1.00 0.66 C ATOM 53 O GLU A 4 2.485 11.762 10.048 1.00 0.82 O ATOM 54 CB GLU A 4 4.364 11.793 12.958 1.00 0.62 C ATOM 55 CG GLU A 4 5.192 12.567 13.971 1.00 0.70 C ATOM 56 CD GLU A 4 6.209 11.673 14.671 1.00 1.14 C ATOM 57 OE1 GLU A 4 5.757 10.754 15.386 1.00 1.76 O ATOM 58 OE2 GLU A 4 7.416 11.910 14.454 1.00 2.31 O ATOM 0 H GLU A 4 2.012 12.540 13.106 1.00 0.59 H new ATOM 0 HA GLU A 4 4.367 13.547 11.772 1.00 0.58 H new ATOM 0 HB2 GLU A 4 3.586 11.239 13.483 1.00 0.62 H new ATOM 0 HB3 GLU A 4 5.001 11.059 12.465 1.00 0.62 H new ATOM 0 HG2 GLU A 4 5.711 13.384 13.469 1.00 0.70 H new ATOM 0 HG3 GLU A 4 4.532 13.017 14.713 1.00 0.70 H new ATOM 65 N GLN A 5 4.706 11.632 9.937 1.00 0.66 N ATOM 66 CA GLN A 5 4.706 10.757 8.788 1.00 0.66 C ATOM 67 C GLN A 5 5.709 9.659 9.059 1.00 0.63 C ATOM 68 O GLN A 5 6.779 9.920 9.605 1.00 0.74 O ATOM 69 CB GLN A 5 5.112 11.534 7.543 1.00 0.68 C ATOM 70 CG GLN A 5 4.096 12.622 7.183 1.00 0.72 C ATOM 71 CD GLN A 5 2.911 12.126 6.357 1.00 0.53 C ATOM 72 OE1 GLN A 5 2.167 12.938 5.826 1.00 1.04 O ATOM 73 NE2 GLN A 5 2.728 10.816 6.196 1.00 0.46 N ATOM 0 H GLN A 5 5.633 11.945 10.226 1.00 0.66 H new ATOM 0 HA GLN A 5 3.713 10.341 8.620 1.00 0.66 H new ATOM 0 HB2 GLN A 5 6.089 11.990 7.704 1.00 0.68 H new ATOM 0 HB3 GLN A 5 5.216 10.845 6.705 1.00 0.68 H new ATOM 0 HG2 GLN A 5 3.721 13.071 8.103 1.00 0.72 H new ATOM 0 HG3 GLN A 5 4.606 13.410 6.629 1.00 0.72 H new ATOM 0 HE21 GLN A 5 3.359 10.154 6.647 1.00 0.46 H new ATOM 0 HE22 GLN A 5 1.957 10.476 5.622 1.00 0.46 H new ATOM 82 N LYS A 6 5.358 8.447 8.651 1.00 0.52 N ATOM 83 CA LYS A 6 6.263 7.331 8.591 1.00 0.44 C ATOM 84 C LYS A 6 6.001 6.528 7.329 1.00 0.36 C ATOM 85 O LYS A 6 4.931 6.589 6.722 1.00 0.36 O ATOM 86 CB LYS A 6 6.144 6.445 9.831 1.00 0.51 C ATOM 87 CG LYS A 6 6.721 7.151 11.064 1.00 1.04 C ATOM 88 CD LYS A 6 7.306 6.136 12.050 1.00 0.99 C ATOM 89 CE LYS A 6 8.807 5.877 11.809 1.00 1.94 C ATOM 90 NZ LYS A 6 9.152 5.441 10.433 1.00 3.46 N ATOM 0 H LYS A 6 4.412 8.218 8.348 1.00 0.52 H new ATOM 0 HA LYS A 6 7.282 7.716 8.566 1.00 0.44 H new ATOM 0 HB2 LYS A 6 5.097 6.196 10.006 1.00 0.51 H new ATOM 0 HB3 LYS A 6 6.672 5.506 9.664 1.00 0.51 H new ATOM 0 HG2 LYS A 6 7.496 7.854 10.757 1.00 1.04 H new ATOM 0 HG3 LYS A 6 5.940 7.732 11.554 1.00 1.04 H new ATOM 0 HD2 LYS A 6 7.162 6.498 13.068 1.00 0.99 H new ATOM 0 HD3 LYS A 6 6.760 5.196 11.966 1.00 0.99 H new ATOM 0 HE2 LYS A 6 9.359 6.789 12.035 1.00 1.94 H new ATOM 0 HE3 LYS A 6 9.147 5.116 12.512 1.00 1.94 H new ATOM 0 HZ1 LYS A 6 10.165 5.210 10.386 1.00 3.46 H new ATOM 0 HZ2 LYS A 6 8.593 4.600 10.185 1.00 3.46 H new ATOM 0 HZ3 LYS A 6 8.941 6.208 9.763 1.00 3.46 H new ATOM 104 N GLU A 7 7.046 5.795 6.981 1.00 0.35 N ATOM 105 CA GLU A 7 7.279 5.029 5.795 1.00 0.31 C ATOM 106 C GLU A 7 7.286 3.580 6.258 1.00 0.41 C ATOM 107 O GLU A 7 8.232 3.157 6.924 1.00 0.72 O ATOM 108 CB GLU A 7 8.652 5.427 5.211 1.00 0.36 C ATOM 109 CG GLU A 7 9.216 6.784 5.685 1.00 0.55 C ATOM 110 CD GLU A 7 9.972 6.756 7.028 1.00 0.77 C ATOM 111 OE1 GLU A 7 9.366 6.387 8.066 1.00 0.97 O ATOM 112 OE2 GLU A 7 11.165 7.115 7.014 1.00 1.59 O ATOM 0 H GLU A 7 7.844 5.723 7.613 1.00 0.35 H new ATOM 0 HA GLU A 7 6.529 5.193 5.021 1.00 0.31 H new ATOM 0 HB2 GLU A 7 9.372 4.648 5.462 1.00 0.36 H new ATOM 0 HB3 GLU A 7 8.571 5.448 4.124 1.00 0.36 H new ATOM 0 HG2 GLU A 7 9.889 7.166 4.917 1.00 0.55 H new ATOM 0 HG3 GLU A 7 8.391 7.492 5.767 1.00 0.55 H new ATOM 119 N ILE A 8 6.243 2.816 5.942 1.00 0.33 N ATOM 120 CA ILE A 8 6.348 1.374 6.116 1.00 0.33 C ATOM 121 C ILE A 8 7.019 0.784 4.884 1.00 0.24 C ATOM 122 O ILE A 8 7.155 1.462 3.863 1.00 0.33 O ATOM 123 CB ILE A 8 5.016 0.732 6.518 1.00 0.49 C ATOM 124 CG1 ILE A 8 3.904 0.850 5.487 1.00 2.50 C ATOM 125 CG2 ILE A 8 4.534 1.304 7.843 1.00 1.81 C ATOM 126 CD1 ILE A 8 4.132 -0.156 4.380 1.00 4.90 C ATOM 0 H ILE A 8 5.352 3.154 5.579 1.00 0.33 H new ATOM 0 HA ILE A 8 6.987 1.140 6.967 1.00 0.33 H new ATOM 0 HB ILE A 8 5.234 -0.333 6.603 1.00 0.49 H new ATOM 0 HG12 ILE A 8 2.937 0.675 5.958 1.00 2.50 H new ATOM 0 HG13 ILE A 8 3.880 1.859 5.076 1.00 2.50 H new ATOM 0 HG21 ILE A 8 3.587 0.839 8.117 1.00 1.81 H new ATOM 0 HG22 ILE A 8 5.274 1.102 8.617 1.00 1.81 H new ATOM 0 HG23 ILE A 8 4.395 2.381 7.745 1.00 1.81 H new ATOM 0 HD11 ILE A 8 3.335 -0.071 3.641 1.00 4.90 H new ATOM 0 HD12 ILE A 8 5.092 0.040 3.902 1.00 4.90 H new ATOM 0 HD13 ILE A 8 4.134 -1.163 4.798 1.00 4.90 H new ATOM 138 N ALA A 9 7.434 -0.477 4.988 1.00 0.25 N ATOM 139 CA ALA A 9 7.913 -1.293 3.890 1.00 0.25 C ATOM 140 C ALA A 9 7.285 -2.663 4.108 1.00 0.31 C ATOM 141 O ALA A 9 7.278 -3.134 5.245 1.00 0.44 O ATOM 142 CB ALA A 9 9.441 -1.379 3.935 1.00 0.27 C ATOM 0 H ALA A 9 7.443 -0.972 5.880 1.00 0.25 H new ATOM 0 HA ALA A 9 7.646 -0.882 2.917 1.00 0.25 H new ATOM 0 HB1 ALA A 9 9.795 -1.994 3.107 1.00 0.27 H new ATOM 0 HB2 ALA A 9 9.864 -0.378 3.851 1.00 0.27 H new ATOM 0 HB3 ALA A 9 9.753 -1.827 4.879 1.00 0.27 H new ATOM 148 N MET A 10 6.727 -3.280 3.066 1.00 0.28 N ATOM 149 CA MET A 10 6.137 -4.608 3.173 1.00 0.33 C ATOM 150 C MET A 10 6.195 -5.309 1.818 1.00 0.25 C ATOM 151 O MET A 10 6.514 -4.673 0.809 1.00 0.24 O ATOM 152 CB MET A 10 4.713 -4.528 3.751 1.00 0.53 C ATOM 153 CG MET A 10 3.772 -3.653 2.924 1.00 1.43 C ATOM 154 SD MET A 10 2.146 -3.330 3.647 1.00 1.95 S ATOM 155 CE MET A 10 1.461 -2.236 2.378 1.00 3.16 C ATOM 0 H MET A 10 6.673 -2.874 2.132 1.00 0.28 H new ATOM 0 HA MET A 10 6.714 -5.211 3.874 1.00 0.33 H new ATOM 0 HB2 MET A 10 4.298 -5.534 3.817 1.00 0.53 H new ATOM 0 HB3 MET A 10 4.762 -4.137 4.767 1.00 0.53 H new ATOM 0 HG2 MET A 10 4.263 -2.697 2.743 1.00 1.43 H new ATOM 0 HG3 MET A 10 3.628 -4.126 1.953 1.00 1.43 H new ATOM 0 HE1 MET A 10 0.374 -2.314 2.378 1.00 3.16 H new ATOM 0 HE2 MET A 10 1.751 -1.207 2.590 1.00 3.16 H new ATOM 0 HE3 MET A 10 1.845 -2.527 1.400 1.00 3.16 H new ATOM 165 N GLN A 11 5.909 -6.614 1.814 1.00 0.30 N ATOM 166 CA GLN A 11 5.915 -7.446 0.623 1.00 0.31 C ATOM 167 C GLN A 11 4.514 -7.494 0.018 1.00 0.34 C ATOM 168 O GLN A 11 3.535 -7.143 0.675 1.00 0.33 O ATOM 169 CB GLN A 11 6.417 -8.857 0.992 1.00 0.37 C ATOM 170 CG GLN A 11 7.948 -8.951 1.025 1.00 0.70 C ATOM 171 CD GLN A 11 8.550 -8.547 -0.312 1.00 1.22 C ATOM 172 OE1 GLN A 11 9.448 -7.717 -0.369 1.00 2.46 O ATOM 173 NE2 GLN A 11 7.989 -9.064 -1.400 1.00 0.79 N ATOM 0 H GLN A 11 5.662 -7.126 2.661 1.00 0.30 H new ATOM 0 HA GLN A 11 6.587 -7.025 -0.124 1.00 0.31 H new ATOM 0 HB2 GLN A 11 6.019 -9.136 1.968 1.00 0.37 H new ATOM 0 HB3 GLN A 11 6.028 -9.576 0.271 1.00 0.37 H new ATOM 0 HG2 GLN A 11 8.338 -8.306 1.813 1.00 0.70 H new ATOM 0 HG3 GLN A 11 8.248 -9.970 1.269 1.00 0.70 H new ATOM 0 HE21 GLN A 11 7.243 -9.754 -1.310 1.00 0.79 H new ATOM 0 HE22 GLN A 11 8.305 -8.771 -2.325 1.00 0.79 H new ATOM 182 N VAL A 12 4.427 -7.935 -1.238 1.00 0.45 N ATOM 183 CA VAL A 12 3.193 -8.070 -2.002 1.00 0.53 C ATOM 184 C VAL A 12 3.044 -9.504 -2.509 1.00 0.55 C ATOM 185 O VAL A 12 4.033 -10.225 -2.633 1.00 0.63 O ATOM 186 CB VAL A 12 3.180 -7.074 -3.169 1.00 0.61 C ATOM 187 CG1 VAL A 12 2.753 -5.683 -2.693 1.00 1.77 C ATOM 188 CG2 VAL A 12 4.553 -6.976 -3.838 1.00 1.88 C ATOM 0 H VAL A 12 5.250 -8.219 -1.769 1.00 0.45 H new ATOM 0 HA VAL A 12 2.347 -7.845 -1.353 1.00 0.53 H new ATOM 0 HB VAL A 12 2.460 -7.446 -3.898 1.00 0.61 H new ATOM 0 HG11 VAL A 12 2.751 -4.994 -3.538 1.00 1.77 H new ATOM 0 HG12 VAL A 12 1.752 -5.736 -2.266 1.00 1.77 H new ATOM 0 HG13 VAL A 12 3.452 -5.327 -1.936 1.00 1.77 H new ATOM 0 HG21 VAL A 12 4.507 -6.262 -4.660 1.00 1.88 H new ATOM 0 HG22 VAL A 12 5.290 -6.642 -3.108 1.00 1.88 H new ATOM 0 HG23 VAL A 12 4.841 -7.954 -4.223 1.00 1.88 H new ATOM 198 N SER A 13 1.811 -9.925 -2.805 1.00 0.59 N ATOM 199 CA SER A 13 1.500 -11.179 -3.474 1.00 0.66 C ATOM 200 C SER A 13 0.148 -11.037 -4.176 1.00 0.76 C ATOM 201 O SER A 13 -0.591 -10.090 -3.915 1.00 0.94 O ATOM 202 CB SER A 13 1.472 -12.319 -2.449 1.00 0.91 C ATOM 203 OG SER A 13 2.780 -12.625 -2.007 1.00 1.28 O ATOM 0 H SER A 13 0.979 -9.381 -2.576 1.00 0.59 H new ATOM 0 HA SER A 13 2.263 -11.413 -4.216 1.00 0.66 H new ATOM 0 HB2 SER A 13 0.852 -12.035 -1.598 1.00 0.91 H new ATOM 0 HB3 SER A 13 1.017 -13.204 -2.894 1.00 0.91 H new ATOM 0 HG SER A 13 3.395 -11.918 -2.292 1.00 1.28 H new ATOM 209 N GLY A 14 -0.168 -11.988 -5.062 1.00 0.81 N ATOM 210 CA GLY A 14 -1.431 -12.015 -5.788 1.00 0.98 C ATOM 211 C GLY A 14 -1.566 -10.789 -6.690 1.00 0.99 C ATOM 212 O GLY A 14 -2.318 -9.870 -6.377 1.00 1.83 O ATOM 0 H GLY A 14 0.453 -12.763 -5.293 1.00 0.81 H new ATOM 0 HA2 GLY A 14 -1.491 -12.922 -6.389 1.00 0.98 H new ATOM 0 HA3 GLY A 14 -2.261 -12.045 -5.082 1.00 0.98 H new ATOM 216 N MET A 15 -0.832 -10.776 -7.808 1.00 1.04 N ATOM 217 CA MET A 15 -0.775 -9.638 -8.710 1.00 1.13 C ATOM 218 C MET A 15 -0.609 -10.107 -10.154 1.00 1.24 C ATOM 219 O MET A 15 -0.108 -11.204 -10.394 1.00 1.33 O ATOM 220 CB MET A 15 0.373 -8.716 -8.279 1.00 1.11 C ATOM 221 CG MET A 15 1.773 -9.288 -8.543 1.00 1.12 C ATOM 222 SD MET A 15 2.476 -8.826 -10.148 1.00 1.93 S ATOM 223 CE MET A 15 3.855 -9.985 -10.250 1.00 2.29 C ATOM 0 H MET A 15 -0.259 -11.565 -8.108 1.00 1.04 H new ATOM 0 HA MET A 15 -1.709 -9.079 -8.660 1.00 1.13 H new ATOM 0 HB2 MET A 15 0.277 -7.765 -8.803 1.00 1.11 H new ATOM 0 HB3 MET A 15 0.274 -8.505 -7.214 1.00 1.11 H new ATOM 0 HG2 MET A 15 2.445 -8.951 -7.754 1.00 1.12 H new ATOM 0 HG3 MET A 15 1.727 -10.375 -8.479 1.00 1.12 H new ATOM 0 HE1 MET A 15 4.393 -9.830 -11.185 1.00 2.29 H new ATOM 0 HE2 MET A 15 4.531 -9.821 -9.411 1.00 2.29 H new ATOM 0 HE3 MET A 15 3.475 -11.006 -10.215 1.00 2.29 H new ATOM 233 N THR A 16 -1.029 -9.262 -11.096 1.00 1.44 N ATOM 234 CA THR A 16 -0.845 -9.422 -12.526 1.00 1.72 C ATOM 235 C THR A 16 0.518 -8.865 -12.934 1.00 1.16 C ATOM 236 O THR A 16 1.362 -9.600 -13.445 1.00 1.52 O ATOM 237 CB THR A 16 -1.971 -8.642 -13.221 1.00 2.47 C ATOM 238 OG1 THR A 16 -2.284 -7.509 -12.423 1.00 2.57 O ATOM 239 CG2 THR A 16 -3.211 -9.526 -13.375 1.00 3.58 C ATOM 0 H THR A 16 -1.532 -8.406 -10.863 1.00 1.44 H new ATOM 0 HA THR A 16 -0.879 -10.474 -12.811 1.00 1.72 H new ATOM 0 HB THR A 16 -1.648 -8.329 -14.214 1.00 2.47 H new ATOM 0 HG1 THR A 16 -2.358 -6.717 -12.995 1.00 2.57 H new ATOM 0 HG21 THR A 16 -4.002 -8.961 -13.869 1.00 3.58 H new ATOM 0 HG22 THR A 16 -2.962 -10.401 -13.975 1.00 3.58 H new ATOM 0 HG23 THR A 16 -3.554 -9.846 -12.391 1.00 3.58 H new ATOM 247 N CYS A 17 0.715 -7.557 -12.738 1.00 0.90 N ATOM 248 CA CYS A 17 1.863 -6.840 -13.268 1.00 1.28 C ATOM 249 C CYS A 17 2.188 -5.591 -12.450 1.00 1.36 C ATOM 250 O CYS A 17 1.352 -5.065 -11.707 1.00 2.27 O ATOM 251 CB CYS A 17 1.637 -6.515 -14.755 1.00 1.58 C ATOM 252 SG CYS A 17 -0.087 -6.042 -15.113 1.00 1.67 S ATOM 0 H CYS A 17 0.075 -6.970 -12.203 1.00 0.90 H new ATOM 0 HA CYS A 17 2.737 -7.486 -13.188 1.00 1.28 H new ATOM 0 HB2 CYS A 17 2.302 -5.704 -15.051 1.00 1.58 H new ATOM 0 HB3 CYS A 17 1.905 -7.383 -15.358 1.00 1.58 H new ATOM 257 N ALA A 18 3.427 -5.115 -12.621 1.00 1.13 N ATOM 258 CA ALA A 18 4.017 -3.960 -11.956 1.00 1.16 C ATOM 259 C ALA A 18 3.433 -2.652 -12.500 1.00 0.99 C ATOM 260 O ALA A 18 4.158 -1.780 -12.973 1.00 1.82 O ATOM 261 CB ALA A 18 5.536 -4.006 -12.157 1.00 1.60 C ATOM 0 H ALA A 18 4.080 -5.557 -13.268 1.00 1.13 H new ATOM 0 HA ALA A 18 3.785 -3.995 -10.891 1.00 1.16 H new ATOM 0 HB1 ALA A 18 5.994 -3.148 -11.665 1.00 1.60 H new ATOM 0 HB2 ALA A 18 5.932 -4.925 -11.726 1.00 1.60 H new ATOM 0 HB3 ALA A 18 5.763 -3.977 -13.223 1.00 1.60 H new ATOM 267 N ALA A 19 2.110 -2.526 -12.439 1.00 0.70 N ATOM 268 CA ALA A 19 1.358 -1.406 -12.978 1.00 0.49 C ATOM 269 C ALA A 19 0.075 -1.256 -12.174 1.00 0.41 C ATOM 270 O ALA A 19 -0.198 -0.189 -11.631 1.00 0.49 O ATOM 271 CB ALA A 19 1.071 -1.639 -14.464 1.00 0.64 C ATOM 0 H ALA A 19 1.515 -3.227 -11.997 1.00 0.70 H new ATOM 0 HA ALA A 19 1.932 -0.483 -12.899 1.00 0.49 H new ATOM 0 HB1 ALA A 19 0.507 -0.796 -14.862 1.00 0.64 H new ATOM 0 HB2 ALA A 19 2.012 -1.734 -15.006 1.00 0.64 H new ATOM 0 HB3 ALA A 19 0.490 -2.553 -14.583 1.00 0.64 H new ATOM 277 N CYS A 20 -0.692 -2.337 -12.035 1.00 0.39 N ATOM 278 CA CYS A 20 -1.829 -2.374 -11.125 1.00 0.38 C ATOM 279 C CYS A 20 -1.336 -2.093 -9.704 1.00 0.35 C ATOM 280 O CYS A 20 -1.943 -1.320 -8.964 1.00 0.42 O ATOM 281 CB CYS A 20 -2.534 -3.731 -11.242 1.00 0.45 C ATOM 282 SG CYS A 20 -2.851 -4.096 -12.995 1.00 1.16 S ATOM 0 H CYS A 20 -0.541 -3.205 -12.548 1.00 0.39 H new ATOM 0 HA CYS A 20 -2.559 -1.607 -11.384 1.00 0.38 H new ATOM 0 HB2 CYS A 20 -1.916 -4.514 -10.802 1.00 0.45 H new ATOM 0 HB3 CYS A 20 -3.472 -3.715 -10.687 1.00 0.45 H new ATOM 287 N ALA A 21 -0.165 -2.655 -9.390 1.00 0.31 N ATOM 288 CA ALA A 21 0.648 -2.329 -8.228 1.00 0.43 C ATOM 289 C ALA A 21 0.705 -0.819 -7.949 1.00 0.39 C ATOM 290 O ALA A 21 0.738 -0.394 -6.803 1.00 0.41 O ATOM 291 CB ALA A 21 2.059 -2.885 -8.459 1.00 0.76 C ATOM 0 H ALA A 21 0.256 -3.382 -9.969 1.00 0.31 H new ATOM 0 HA ALA A 21 0.192 -2.783 -7.348 1.00 0.43 H new ATOM 0 HB1 ALA A 21 2.687 -2.652 -7.599 1.00 0.76 H new ATOM 0 HB2 ALA A 21 2.007 -3.966 -8.588 1.00 0.76 H new ATOM 0 HB3 ALA A 21 2.486 -2.432 -9.354 1.00 0.76 H new ATOM 297 N ALA A 22 0.742 0.028 -8.982 1.00 0.38 N ATOM 298 CA ALA A 22 0.701 1.463 -8.763 1.00 0.37 C ATOM 299 C ALA A 22 -0.687 1.857 -8.266 1.00 0.33 C ATOM 300 O ALA A 22 -0.826 2.528 -7.245 1.00 0.29 O ATOM 301 CB ALA A 22 1.054 2.203 -10.056 1.00 0.42 C ATOM 0 H ALA A 22 0.799 -0.256 -9.960 1.00 0.38 H new ATOM 0 HA ALA A 22 1.435 1.741 -8.007 1.00 0.37 H new ATOM 0 HB1 ALA A 22 1.020 3.278 -9.881 1.00 0.42 H new ATOM 0 HB2 ALA A 22 2.057 1.919 -10.376 1.00 0.42 H new ATOM 0 HB3 ALA A 22 0.337 1.940 -10.833 1.00 0.42 H new ATOM 307 N ARG A 23 -1.716 1.467 -9.018 1.00 0.39 N ATOM 308 CA ARG A 23 -3.084 1.865 -8.740 1.00 0.39 C ATOM 309 C ARG A 23 -3.512 1.462 -7.333 1.00 0.27 C ATOM 310 O ARG A 23 -4.215 2.243 -6.694 1.00 0.25 O ATOM 311 CB ARG A 23 -4.044 1.354 -9.822 1.00 0.62 C ATOM 312 CG ARG A 23 -3.871 2.163 -11.120 1.00 1.03 C ATOM 313 CD ARG A 23 -3.347 1.322 -12.286 1.00 1.52 C ATOM 314 NE ARG A 23 -4.375 0.398 -12.792 1.00 2.11 N ATOM 315 CZ ARG A 23 -4.265 -0.306 -13.930 1.00 3.45 C ATOM 316 NH1 ARG A 23 -3.105 -0.311 -14.595 1.00 4.40 N ATOM 317 NH2 ARG A 23 -5.318 -0.979 -14.407 1.00 4.36 N ATOM 0 H ARG A 23 -1.618 0.866 -9.836 1.00 0.39 H new ATOM 0 HA ARG A 23 -3.129 2.954 -8.772 1.00 0.39 H new ATOM 0 HB2 ARG A 23 -3.854 0.298 -10.016 1.00 0.62 H new ATOM 0 HB3 ARG A 23 -5.073 1.434 -9.471 1.00 0.62 H new ATOM 0 HG2 ARG A 23 -4.829 2.602 -11.398 1.00 1.03 H new ATOM 0 HG3 ARG A 23 -3.183 2.989 -10.938 1.00 1.03 H new ATOM 0 HD2 ARG A 23 -3.020 1.979 -13.091 1.00 1.52 H new ATOM 0 HD3 ARG A 23 -2.474 0.755 -11.963 1.00 1.52 H new ATOM 0 HE ARG A 23 -5.227 0.285 -12.242 1.00 2.11 H new ATOM 0 HH11 ARG A 23 -2.310 0.218 -14.237 1.00 4.40 H new ATOM 0 HH12 ARG A 23 -3.015 -0.844 -15.460 1.00 4.40 H new ATOM 0 HH21 ARG A 23 -6.206 -0.958 -13.906 1.00 4.36 H new ATOM 0 HH22 ARG A 23 -5.233 -1.513 -15.272 1.00 4.36 H new ATOM 331 N ILE A 24 -3.078 0.302 -6.824 1.00 0.32 N ATOM 332 CA ILE A 24 -3.397 -0.036 -5.439 1.00 0.33 C ATOM 333 C ILE A 24 -2.893 1.058 -4.481 1.00 0.27 C ATOM 334 O ILE A 24 -3.693 1.680 -3.788 1.00 0.27 O ATOM 335 CB ILE A 24 -3.049 -1.485 -5.053 1.00 0.42 C ATOM 336 CG1 ILE A 24 -1.582 -1.630 -4.679 1.00 0.44 C ATOM 337 CG2 ILE A 24 -3.486 -2.476 -6.140 1.00 0.65 C ATOM 338 CD1 ILE A 24 -1.097 -3.059 -4.479 1.00 0.46 C ATOM 0 H ILE A 24 -2.527 -0.391 -7.330 1.00 0.32 H new ATOM 0 HA ILE A 24 -4.482 -0.037 -5.334 1.00 0.33 H new ATOM 0 HB ILE A 24 -3.618 -1.736 -4.158 1.00 0.42 H new ATOM 0 HG12 ILE A 24 -0.978 -1.165 -5.458 1.00 0.44 H new ATOM 0 HG13 ILE A 24 -1.402 -1.071 -3.761 1.00 0.44 H new ATOM 0 HG21 ILE A 24 -3.225 -3.489 -5.835 1.00 0.65 H new ATOM 0 HG22 ILE A 24 -4.564 -2.407 -6.283 1.00 0.65 H new ATOM 0 HG23 ILE A 24 -2.980 -2.237 -7.075 1.00 0.65 H new ATOM 0 HD11 ILE A 24 -0.039 -3.051 -4.216 1.00 0.46 H new ATOM 0 HD12 ILE A 24 -1.667 -3.528 -3.677 1.00 0.46 H new ATOM 0 HD13 ILE A 24 -1.237 -3.623 -5.401 1.00 0.46 H new ATOM 350 N GLU A 25 -1.594 1.366 -4.498 1.00 0.28 N ATOM 351 CA GLU A 25 -1.002 2.413 -3.669 1.00 0.28 C ATOM 352 C GLU A 25 -1.660 3.773 -3.904 1.00 0.24 C ATOM 353 O GLU A 25 -1.958 4.499 -2.957 1.00 0.28 O ATOM 354 CB GLU A 25 0.512 2.488 -3.920 1.00 0.34 C ATOM 355 CG GLU A 25 1.279 1.622 -2.915 1.00 0.35 C ATOM 356 CD GLU A 25 0.757 0.199 -2.867 1.00 1.15 C ATOM 357 OE1 GLU A 25 1.150 -0.572 -3.764 1.00 2.32 O ATOM 358 OE2 GLU A 25 -0.010 -0.089 -1.923 1.00 2.13 O ATOM 0 H GLU A 25 -0.918 0.889 -5.095 1.00 0.28 H new ATOM 0 HA GLU A 25 -1.179 2.152 -2.626 1.00 0.28 H new ATOM 0 HB2 GLU A 25 0.733 2.156 -4.934 1.00 0.34 H new ATOM 0 HB3 GLU A 25 0.846 3.523 -3.843 1.00 0.34 H new ATOM 0 HG2 GLU A 25 2.336 1.610 -3.181 1.00 0.35 H new ATOM 0 HG3 GLU A 25 1.205 2.068 -1.923 1.00 0.35 H new ATOM 365 N LYS A 26 -1.870 4.147 -5.166 1.00 0.26 N ATOM 366 CA LYS A 26 -2.388 5.471 -5.484 1.00 0.30 C ATOM 367 C LYS A 26 -3.826 5.602 -4.976 1.00 0.32 C ATOM 368 O LYS A 26 -4.184 6.618 -4.388 1.00 0.42 O ATOM 369 CB LYS A 26 -2.273 5.806 -6.976 1.00 0.33 C ATOM 370 CG LYS A 26 -0.921 6.441 -7.347 1.00 0.61 C ATOM 371 CD LYS A 26 0.228 5.442 -7.431 1.00 1.10 C ATOM 372 CE LYS A 26 1.429 6.093 -8.132 1.00 0.97 C ATOM 373 NZ LYS A 26 2.670 5.314 -7.953 1.00 1.82 N ATOM 0 H LYS A 26 -1.690 3.555 -5.977 1.00 0.26 H new ATOM 0 HA LYS A 26 -1.769 6.206 -4.970 1.00 0.30 H new ATOM 0 HB2 LYS A 26 -2.413 4.896 -7.559 1.00 0.33 H new ATOM 0 HB3 LYS A 26 -3.077 6.488 -7.253 1.00 0.33 H new ATOM 0 HG2 LYS A 26 -1.020 6.948 -8.307 1.00 0.61 H new ATOM 0 HG3 LYS A 26 -0.674 7.203 -6.608 1.00 0.61 H new ATOM 0 HD2 LYS A 26 0.512 5.115 -6.431 1.00 1.10 H new ATOM 0 HD3 LYS A 26 -0.088 4.555 -7.979 1.00 1.10 H new ATOM 0 HE2 LYS A 26 1.216 6.193 -9.196 1.00 0.97 H new ATOM 0 HE3 LYS A 26 1.574 7.100 -7.740 1.00 0.97 H new ATOM 0 HZ1 LYS A 26 3.453 5.791 -8.443 1.00 1.82 H new ATOM 0 HZ2 LYS A 26 2.890 5.239 -6.939 1.00 1.82 H new ATOM 0 HZ3 LYS A 26 2.542 4.361 -8.350 1.00 1.82 H new ATOM 387 N GLY A 27 -4.644 4.568 -5.180 1.00 0.31 N ATOM 388 CA GLY A 27 -5.968 4.502 -4.589 1.00 0.34 C ATOM 389 C GLY A 27 -5.863 4.535 -3.066 1.00 0.40 C ATOM 390 O GLY A 27 -6.608 5.254 -2.401 1.00 0.61 O ATOM 0 H GLY A 27 -4.403 3.762 -5.756 1.00 0.31 H new ATOM 0 HA2 GLY A 27 -6.573 5.339 -4.938 1.00 0.34 H new ATOM 0 HA3 GLY A 27 -6.472 3.589 -4.907 1.00 0.34 H new ATOM 394 N LEU A 28 -4.925 3.764 -2.509 1.00 0.32 N ATOM 395 CA LEU A 28 -4.770 3.633 -1.066 1.00 0.34 C ATOM 396 C LEU A 28 -4.465 4.999 -0.444 1.00 0.36 C ATOM 397 O LEU A 28 -5.052 5.354 0.577 1.00 0.46 O ATOM 398 CB LEU A 28 -3.742 2.531 -0.749 1.00 0.38 C ATOM 399 CG LEU A 28 -3.421 2.270 0.733 1.00 0.49 C ATOM 400 CD1 LEU A 28 -2.363 3.247 1.255 1.00 2.33 C ATOM 401 CD2 LEU A 28 -4.673 2.285 1.614 1.00 2.01 C ATOM 0 H LEU A 28 -4.255 3.216 -3.048 1.00 0.32 H new ATOM 0 HA LEU A 28 -5.701 3.307 -0.603 1.00 0.34 H new ATOM 0 HB2 LEU A 28 -4.101 1.599 -1.185 1.00 0.38 H new ATOM 0 HB3 LEU A 28 -2.811 2.782 -1.257 1.00 0.38 H new ATOM 0 HG LEU A 28 -3.007 1.263 0.791 1.00 0.49 H new ATOM 0 HD11 LEU A 28 -2.159 3.036 2.305 1.00 2.33 H new ATOM 0 HD12 LEU A 28 -1.446 3.133 0.677 1.00 2.33 H new ATOM 0 HD13 LEU A 28 -2.730 4.268 1.155 1.00 2.33 H new ATOM 0 HD21 LEU A 28 -4.391 2.096 2.650 1.00 2.01 H new ATOM 0 HD22 LEU A 28 -5.157 3.259 1.542 1.00 2.01 H new ATOM 0 HD23 LEU A 28 -5.363 1.511 1.279 1.00 2.01 H new ATOM 413 N LYS A 29 -3.619 5.811 -1.088 1.00 0.34 N ATOM 414 CA LYS A 29 -3.363 7.189 -0.673 1.00 0.43 C ATOM 415 C LYS A 29 -4.650 7.935 -0.296 1.00 0.54 C ATOM 416 O LYS A 29 -4.629 8.811 0.561 1.00 0.75 O ATOM 417 CB LYS A 29 -2.603 7.948 -1.771 1.00 0.58 C ATOM 418 CG LYS A 29 -2.069 9.304 -1.271 1.00 0.89 C ATOM 419 CD LYS A 29 -1.804 10.282 -2.424 1.00 0.88 C ATOM 420 CE LYS A 29 -0.465 9.992 -3.111 1.00 1.60 C ATOM 421 NZ LYS A 29 -0.369 10.557 -4.465 1.00 2.97 N ATOM 0 H LYS A 29 -3.092 5.527 -1.914 1.00 0.34 H new ATOM 0 HA LYS A 29 -2.745 7.144 0.224 1.00 0.43 H new ATOM 0 HB2 LYS A 29 -1.771 7.338 -2.124 1.00 0.58 H new ATOM 0 HB3 LYS A 29 -3.263 8.110 -2.623 1.00 0.58 H new ATOM 0 HG2 LYS A 29 -2.789 9.744 -0.581 1.00 0.89 H new ATOM 0 HG3 LYS A 29 -1.147 9.146 -0.711 1.00 0.89 H new ATOM 0 HD2 LYS A 29 -2.611 10.213 -3.154 1.00 0.88 H new ATOM 0 HD3 LYS A 29 -1.805 11.303 -2.043 1.00 0.88 H new ATOM 0 HE2 LYS A 29 0.343 10.394 -2.500 1.00 1.60 H new ATOM 0 HE3 LYS A 29 -0.319 8.913 -3.164 1.00 1.60 H new ATOM 0 HZ1 LYS A 29 0.559 10.325 -4.873 1.00 2.97 H new ATOM 0 HZ2 LYS A 29 -1.120 10.156 -5.063 1.00 2.97 H new ATOM 0 HZ3 LYS A 29 -0.479 11.590 -4.419 1.00 2.97 H new ATOM 435 N ARG A 30 -5.772 7.612 -0.945 1.00 0.54 N ATOM 436 CA ARG A 30 -7.008 8.349 -0.783 1.00 0.60 C ATOM 437 C ARG A 30 -7.702 8.101 0.574 1.00 0.61 C ATOM 438 O ARG A 30 -8.721 8.746 0.835 1.00 0.67 O ATOM 439 CB ARG A 30 -7.894 8.056 -2.009 1.00 0.60 C ATOM 440 CG ARG A 30 -8.805 9.229 -2.392 1.00 1.52 C ATOM 441 CD ARG A 30 -10.269 8.966 -2.028 1.00 2.70 C ATOM 442 NE ARG A 30 -11.023 10.227 -1.992 1.00 3.85 N ATOM 443 CZ ARG A 30 -10.992 11.108 -0.977 1.00 4.96 C ATOM 444 NH1 ARG A 30 -10.300 10.839 0.138 1.00 5.65 N ATOM 445 NH2 ARG A 30 -11.649 12.268 -1.091 1.00 5.95 N ATOM 0 H ARG A 30 -5.839 6.830 -1.596 1.00 0.54 H new ATOM 0 HA ARG A 30 -6.796 9.417 -0.747 1.00 0.60 H new ATOM 0 HB2 ARG A 30 -7.257 7.807 -2.858 1.00 0.60 H new ATOM 0 HB3 ARG A 30 -8.508 7.179 -1.804 1.00 0.60 H new ATOM 0 HG2 ARG A 30 -8.463 10.132 -1.887 1.00 1.52 H new ATOM 0 HG3 ARG A 30 -8.726 9.414 -3.463 1.00 1.52 H new ATOM 0 HD2 ARG A 30 -10.715 8.289 -2.756 1.00 2.70 H new ATOM 0 HD3 ARG A 30 -10.326 8.473 -1.058 1.00 2.70 H new ATOM 0 HE ARG A 30 -11.612 10.450 -2.794 1.00 3.85 H new ATOM 0 HH11 ARG A 30 -9.791 9.959 0.222 1.00 5.65 H new ATOM 0 HH12 ARG A 30 -10.283 11.514 0.903 1.00 5.65 H new ATOM 0 HH21 ARG A 30 -12.168 12.478 -1.943 1.00 5.95 H new ATOM 0 HH22 ARG A 30 -11.631 12.942 -0.326 1.00 5.95 H new ATOM 459 N MET A 31 -7.186 7.200 1.427 1.00 0.59 N ATOM 460 CA MET A 31 -7.656 6.969 2.792 1.00 0.62 C ATOM 461 C MET A 31 -7.070 7.997 3.776 1.00 0.59 C ATOM 462 O MET A 31 -6.134 8.713 3.429 1.00 0.42 O ATOM 463 CB MET A 31 -7.267 5.532 3.187 1.00 0.62 C ATOM 464 CG MET A 31 -8.472 4.595 3.147 1.00 2.10 C ATOM 465 SD MET A 31 -9.514 4.643 1.673 1.00 3.24 S ATOM 466 CE MET A 31 -10.849 3.588 2.274 1.00 3.79 C ATOM 0 H MET A 31 -6.405 6.596 1.171 1.00 0.59 H new ATOM 0 HA MET A 31 -8.738 7.090 2.835 1.00 0.62 H new ATOM 0 HB2 MET A 31 -6.496 5.164 2.510 1.00 0.62 H new ATOM 0 HB3 MET A 31 -6.838 5.532 4.189 1.00 0.62 H new ATOM 0 HG2 MET A 31 -8.109 3.575 3.270 1.00 2.10 H new ATOM 0 HG3 MET A 31 -9.099 4.816 4.010 1.00 2.10 H new ATOM 0 HE1 MET A 31 -11.457 3.255 1.433 1.00 3.79 H new ATOM 0 HE2 MET A 31 -10.427 2.721 2.782 1.00 3.79 H new ATOM 0 HE3 MET A 31 -11.471 4.150 2.971 1.00 3.79 H new ATOM 476 N PRO A 32 -7.615 8.093 5.004 1.00 0.87 N ATOM 477 CA PRO A 32 -7.152 9.045 6.001 1.00 0.82 C ATOM 478 C PRO A 32 -5.770 8.647 6.526 1.00 0.83 C ATOM 479 O PRO A 32 -5.345 7.495 6.413 1.00 1.07 O ATOM 480 CB PRO A 32 -8.214 9.037 7.103 1.00 1.05 C ATOM 481 CG PRO A 32 -8.765 7.615 7.037 1.00 1.31 C ATOM 482 CD PRO A 32 -8.693 7.278 5.547 1.00 1.23 C ATOM 0 HA PRO A 32 -7.033 10.047 5.590 1.00 0.82 H new ATOM 0 HB2 PRO A 32 -7.784 9.258 8.080 1.00 1.05 H new ATOM 0 HB3 PRO A 32 -8.991 9.780 6.921 1.00 1.05 H new ATOM 0 HG2 PRO A 32 -8.170 6.925 7.635 1.00 1.31 H new ATOM 0 HG3 PRO A 32 -9.787 7.562 7.412 1.00 1.31 H new ATOM 0 HD2 PRO A 32 -8.494 6.217 5.396 1.00 1.23 H new ATOM 0 HD3 PRO A 32 -9.638 7.499 5.051 1.00 1.23 H new ATOM 490 N GLY A 33 -5.030 9.616 7.059 1.00 0.83 N ATOM 491 CA GLY A 33 -3.690 9.443 7.591 1.00 0.87 C ATOM 492 C GLY A 33 -2.644 9.232 6.501 1.00 0.71 C ATOM 493 O GLY A 33 -1.512 9.693 6.633 1.00 0.92 O ATOM 0 H GLY A 33 -5.364 10.577 7.133 1.00 0.83 H new ATOM 0 HA2 GLY A 33 -3.422 10.320 8.180 1.00 0.87 H new ATOM 0 HA3 GLY A 33 -3.680 8.589 8.268 1.00 0.87 H new ATOM 497 N VAL A 34 -2.986 8.528 5.421 1.00 0.59 N ATOM 498 CA VAL A 34 -2.078 8.356 4.311 1.00 0.39 C ATOM 499 C VAL A 34 -1.884 9.693 3.608 1.00 0.45 C ATOM 500 O VAL A 34 -2.800 10.511 3.540 1.00 0.95 O ATOM 501 CB VAL A 34 -2.559 7.246 3.372 1.00 0.43 C ATOM 502 CG1 VAL A 34 -1.404 6.888 2.420 1.00 0.36 C ATOM 503 CG2 VAL A 34 -2.971 5.980 4.137 1.00 0.49 C ATOM 0 H VAL A 34 -3.890 8.071 5.301 1.00 0.59 H new ATOM 0 HA VAL A 34 -1.104 8.031 4.677 1.00 0.39 H new ATOM 0 HB VAL A 34 -3.432 7.611 2.831 1.00 0.43 H new ATOM 0 HG11 VAL A 34 -1.724 6.098 1.741 1.00 0.36 H new ATOM 0 HG12 VAL A 34 -1.121 7.769 1.844 1.00 0.36 H new ATOM 0 HG13 VAL A 34 -0.548 6.543 3.000 1.00 0.36 H new ATOM 0 HG21 VAL A 34 -3.305 5.220 3.430 1.00 0.49 H new ATOM 0 HG22 VAL A 34 -2.118 5.602 4.700 1.00 0.49 H new ATOM 0 HG23 VAL A 34 -3.783 6.218 4.824 1.00 0.49 H new ATOM 513 N THR A 35 -0.669 9.927 3.113 1.00 0.29 N ATOM 514 CA THR A 35 -0.342 11.150 2.403 1.00 0.35 C ATOM 515 C THR A 35 0.415 10.846 1.112 1.00 0.34 C ATOM 516 O THR A 35 0.103 11.453 0.086 1.00 0.46 O ATOM 517 CB THR A 35 0.323 12.136 3.372 1.00 0.47 C ATOM 518 OG1 THR A 35 -0.652 13.062 3.807 1.00 1.04 O ATOM 519 CG2 THR A 35 1.519 12.880 2.785 1.00 0.66 C ATOM 0 H THR A 35 0.109 9.273 3.196 1.00 0.29 H new ATOM 0 HA THR A 35 -1.240 11.659 2.052 1.00 0.35 H new ATOM 0 HB THR A 35 0.720 11.551 4.201 1.00 0.47 H new ATOM 0 HG1 THR A 35 -0.243 13.699 4.429 1.00 1.04 H new ATOM 0 HG21 THR A 35 1.930 13.556 3.534 1.00 0.66 H new ATOM 0 HG22 THR A 35 2.283 12.162 2.486 1.00 0.66 H new ATOM 0 HG23 THR A 35 1.199 13.454 1.915 1.00 0.66 H new ATOM 527 N ASP A 36 1.335 9.870 1.106 1.00 0.29 N ATOM 528 CA ASP A 36 1.859 9.344 -0.143 1.00 0.33 C ATOM 529 C ASP A 36 2.024 7.839 -0.099 1.00 0.26 C ATOM 530 O ASP A 36 1.915 7.215 0.955 1.00 0.21 O ATOM 531 CB ASP A 36 3.111 10.078 -0.644 1.00 0.51 C ATOM 532 CG ASP A 36 2.968 10.368 -2.133 1.00 1.09 C ATOM 533 OD1 ASP A 36 2.554 9.429 -2.854 1.00 2.62 O ATOM 534 OD2 ASP A 36 3.187 11.529 -2.530 1.00 1.60 O ATOM 0 H ASP A 36 1.722 9.440 1.946 1.00 0.29 H new ATOM 0 HA ASP A 36 1.101 9.550 -0.899 1.00 0.33 H new ATOM 0 HB2 ASP A 36 3.245 11.009 -0.093 1.00 0.51 H new ATOM 0 HB3 ASP A 36 3.998 9.471 -0.464 1.00 0.51 H new ATOM 539 N ALA A 37 2.223 7.248 -1.271 1.00 0.30 N ATOM 540 CA ALA A 37 2.337 5.810 -1.415 1.00 0.29 C ATOM 541 C ALA A 37 3.073 5.464 -2.703 1.00 0.33 C ATOM 542 O ALA A 37 2.857 6.095 -3.738 1.00 0.44 O ATOM 543 CB ALA A 37 0.946 5.181 -1.337 1.00 0.36 C ATOM 0 H ALA A 37 2.310 7.759 -2.149 1.00 0.30 H new ATOM 0 HA ALA A 37 2.930 5.396 -0.600 1.00 0.29 H new ATOM 0 HB1 ALA A 37 1.029 4.100 -1.445 1.00 0.36 H new ATOM 0 HB2 ALA A 37 0.494 5.416 -0.373 1.00 0.36 H new ATOM 0 HB3 ALA A 37 0.322 5.579 -2.137 1.00 0.36 H new ATOM 549 N ASN A 38 3.969 4.477 -2.640 1.00 0.26 N ATOM 550 CA ASN A 38 4.975 4.267 -3.664 1.00 0.30 C ATOM 551 C ASN A 38 5.250 2.774 -3.688 1.00 0.26 C ATOM 552 O ASN A 38 5.847 2.230 -2.758 1.00 0.28 O ATOM 553 CB ASN A 38 6.289 5.037 -3.395 1.00 0.33 C ATOM 554 CG ASN A 38 6.378 5.790 -2.066 1.00 0.30 C ATOM 555 OD1 ASN A 38 6.624 6.990 -2.040 1.00 0.42 O ATOM 556 ND2 ASN A 38 6.202 5.095 -0.946 1.00 0.32 N ATOM 0 H ASN A 38 4.011 3.805 -1.874 1.00 0.26 H new ATOM 0 HA ASN A 38 4.603 4.643 -4.617 1.00 0.30 H new ATOM 0 HB2 ASN A 38 7.116 4.328 -3.442 1.00 0.33 H new ATOM 0 HB3 ASN A 38 6.437 5.753 -4.204 1.00 0.33 H new ATOM 0 HD21 ASN A 38 6.271 5.560 -0.041 1.00 0.32 H new ATOM 0 HD22 ASN A 38 5.998 4.097 -0.992 1.00 0.32 H new ATOM 563 N VAL A 39 4.818 2.116 -4.760 1.00 0.27 N ATOM 564 CA VAL A 39 5.075 0.698 -4.920 1.00 0.23 C ATOM 565 C VAL A 39 6.498 0.519 -5.466 1.00 0.24 C ATOM 566 O VAL A 39 6.820 1.030 -6.537 1.00 0.50 O ATOM 567 CB VAL A 39 3.961 0.088 -5.784 1.00 0.29 C ATOM 568 CG1 VAL A 39 4.046 0.475 -7.268 1.00 0.46 C ATOM 569 CG2 VAL A 39 3.925 -1.432 -5.634 1.00 0.42 C ATOM 0 H VAL A 39 4.293 2.543 -5.523 1.00 0.27 H new ATOM 0 HA VAL A 39 5.046 0.155 -3.975 1.00 0.23 H new ATOM 0 HB VAL A 39 3.030 0.513 -5.408 1.00 0.29 H new ATOM 0 HG11 VAL A 39 3.227 0.007 -7.814 1.00 0.46 H new ATOM 0 HG12 VAL A 39 3.975 1.558 -7.366 1.00 0.46 H new ATOM 0 HG13 VAL A 39 4.997 0.135 -7.679 1.00 0.46 H new ATOM 0 HG21 VAL A 39 3.128 -1.840 -6.255 1.00 0.42 H new ATOM 0 HG22 VAL A 39 4.881 -1.851 -5.948 1.00 0.42 H new ATOM 0 HG23 VAL A 39 3.740 -1.690 -4.591 1.00 0.42 H new ATOM 579 N ASN A 40 7.376 -0.166 -4.726 1.00 0.27 N ATOM 580 CA ASN A 40 8.767 -0.376 -5.117 1.00 0.26 C ATOM 581 C ASN A 40 8.878 -1.779 -5.714 1.00 0.25 C ATOM 582 O ASN A 40 9.644 -2.641 -5.270 1.00 0.24 O ATOM 583 CB ASN A 40 9.680 -0.161 -3.904 1.00 0.29 C ATOM 584 CG ASN A 40 11.155 -0.165 -4.295 1.00 0.36 C ATOM 585 OD1 ASN A 40 11.506 -0.296 -5.464 1.00 0.51 O ATOM 586 ND2 ASN A 40 12.039 0.001 -3.316 1.00 0.58 N ATOM 0 H ASN A 40 7.135 -0.593 -3.831 1.00 0.27 H new ATOM 0 HA ASN A 40 9.089 0.341 -5.873 1.00 0.26 H new ATOM 0 HB2 ASN A 40 9.433 0.788 -3.427 1.00 0.29 H new ATOM 0 HB3 ASN A 40 9.497 -0.944 -3.168 1.00 0.29 H new ATOM 0 HD21 ASN A 40 13.037 0.022 -3.528 1.00 0.58 H new ATOM 0 HD22 ASN A 40 11.720 0.107 -2.353 1.00 0.58 H new ATOM 593 N LEU A 41 8.070 -1.994 -6.754 1.00 0.30 N ATOM 594 CA LEU A 41 7.897 -3.297 -7.380 1.00 0.34 C ATOM 595 C LEU A 41 9.171 -3.704 -8.124 1.00 0.36 C ATOM 596 O LEU A 41 9.410 -4.889 -8.334 1.00 0.44 O ATOM 597 CB LEU A 41 6.647 -3.277 -8.279 1.00 0.44 C ATOM 598 CG LEU A 41 5.695 -4.477 -8.112 1.00 0.52 C ATOM 599 CD1 LEU A 41 6.257 -5.760 -8.731 1.00 0.97 C ATOM 600 CD2 LEU A 41 5.302 -4.758 -6.657 1.00 0.95 C ATOM 0 H LEU A 41 7.513 -1.257 -7.187 1.00 0.30 H new ATOM 0 HA LEU A 41 7.731 -4.060 -6.619 1.00 0.34 H new ATOM 0 HB2 LEU A 41 6.090 -2.362 -8.078 1.00 0.44 H new ATOM 0 HB3 LEU A 41 6.969 -3.232 -9.319 1.00 0.44 H new ATOM 0 HG LEU A 41 4.796 -4.178 -8.651 1.00 0.52 H new ATOM 0 HD11 LEU A 41 5.548 -6.575 -8.586 1.00 0.97 H new ATOM 0 HD12 LEU A 41 6.421 -5.608 -9.798 1.00 0.97 H new ATOM 0 HD13 LEU A 41 7.202 -6.012 -8.251 1.00 0.97 H new ATOM 0 HD21 LEU A 41 4.631 -5.616 -6.621 1.00 0.95 H new ATOM 0 HD22 LEU A 41 6.197 -4.972 -6.073 1.00 0.95 H new ATOM 0 HD23 LEU A 41 4.798 -3.886 -6.241 1.00 0.95 H new ATOM 612 N ALA A 42 10.031 -2.728 -8.447 1.00 0.36 N ATOM 613 CA ALA A 42 11.387 -2.963 -8.925 1.00 0.41 C ATOM 614 C ALA A 42 12.115 -4.006 -8.079 1.00 0.42 C ATOM 615 O ALA A 42 12.890 -4.790 -8.620 1.00 0.53 O ATOM 616 CB ALA A 42 12.181 -1.658 -8.887 1.00 0.42 C ATOM 0 H ALA A 42 9.793 -1.738 -8.380 1.00 0.36 H new ATOM 0 HA ALA A 42 11.313 -3.337 -9.946 1.00 0.41 H new ATOM 0 HB1 ALA A 42 13.195 -1.838 -9.245 1.00 0.42 H new ATOM 0 HB2 ALA A 42 11.697 -0.919 -9.525 1.00 0.42 H new ATOM 0 HB3 ALA A 42 12.219 -1.285 -7.864 1.00 0.42 H new ATOM 622 N THR A 43 11.879 -4.003 -6.761 1.00 0.37 N ATOM 623 CA THR A 43 12.405 -5.027 -5.873 1.00 0.49 C ATOM 624 C THR A 43 11.257 -5.682 -5.097 1.00 0.63 C ATOM 625 O THR A 43 11.411 -6.019 -3.923 1.00 1.24 O ATOM 626 CB THR A 43 13.529 -4.441 -5.005 1.00 0.50 C ATOM 627 OG1 THR A 43 14.154 -5.465 -4.261 1.00 0.67 O ATOM 628 CG2 THR A 43 13.062 -3.321 -4.070 1.00 0.54 C ATOM 0 H THR A 43 11.320 -3.291 -6.290 1.00 0.37 H new ATOM 0 HA THR A 43 12.870 -5.835 -6.438 1.00 0.49 H new ATOM 0 HB THR A 43 14.243 -3.989 -5.693 1.00 0.50 H new ATOM 0 HG1 THR A 43 13.471 -6.014 -3.822 1.00 0.67 H new ATOM 0 HG21 THR A 43 13.909 -2.956 -3.489 1.00 0.54 H new ATOM 0 HG22 THR A 43 12.647 -2.504 -4.660 1.00 0.54 H new ATOM 0 HG23 THR A 43 12.297 -3.706 -3.395 1.00 0.54 H new ATOM 636 N GLU A 44 10.114 -5.861 -5.768 1.00 0.37 N ATOM 637 CA GLU A 44 8.951 -6.610 -5.308 1.00 0.43 C ATOM 638 C GLU A 44 8.468 -6.175 -3.917 1.00 0.49 C ATOM 639 O GLU A 44 7.934 -6.995 -3.174 1.00 0.79 O ATOM 640 CB GLU A 44 9.273 -8.111 -5.381 1.00 0.46 C ATOM 641 CG GLU A 44 9.453 -8.557 -6.839 1.00 0.88 C ATOM 642 CD GLU A 44 9.877 -10.017 -6.914 1.00 1.70 C ATOM 643 OE1 GLU A 44 11.079 -10.267 -6.682 1.00 2.99 O ATOM 644 OE2 GLU A 44 8.990 -10.852 -7.195 1.00 1.93 O ATOM 0 H GLU A 44 9.973 -5.463 -6.697 1.00 0.37 H new ATOM 0 HA GLU A 44 8.110 -6.392 -5.967 1.00 0.43 H new ATOM 0 HB2 GLU A 44 10.181 -8.321 -4.816 1.00 0.46 H new ATOM 0 HB3 GLU A 44 8.470 -8.683 -4.917 1.00 0.46 H new ATOM 0 HG2 GLU A 44 8.519 -8.417 -7.384 1.00 0.88 H new ATOM 0 HG3 GLU A 44 10.202 -7.932 -7.325 1.00 0.88 H new ATOM 651 N THR A 45 8.629 -4.893 -3.572 1.00 0.28 N ATOM 652 CA THR A 45 8.320 -4.334 -2.265 1.00 0.26 C ATOM 653 C THR A 45 7.316 -3.191 -2.449 1.00 0.20 C ATOM 654 O THR A 45 7.204 -2.634 -3.541 1.00 0.24 O ATOM 655 CB THR A 45 9.647 -3.842 -1.664 1.00 0.33 C ATOM 656 OG1 THR A 45 10.558 -4.913 -1.528 1.00 0.65 O ATOM 657 CG2 THR A 45 9.478 -3.222 -0.280 1.00 0.51 C ATOM 0 H THR A 45 8.991 -4.197 -4.223 1.00 0.28 H new ATOM 0 HA THR A 45 7.870 -5.064 -1.593 1.00 0.26 H new ATOM 0 HB THR A 45 10.018 -3.084 -2.354 1.00 0.33 H new ATOM 0 HG1 THR A 45 10.819 -5.235 -2.416 1.00 0.65 H new ATOM 0 HG21 THR A 45 10.448 -2.894 0.093 1.00 0.51 H new ATOM 0 HG22 THR A 45 8.805 -2.367 -0.344 1.00 0.51 H new ATOM 0 HG23 THR A 45 9.059 -3.962 0.402 1.00 0.51 H new ATOM 665 N VAL A 46 6.590 -2.806 -1.398 1.00 0.21 N ATOM 666 CA VAL A 46 5.718 -1.635 -1.417 1.00 0.18 C ATOM 667 C VAL A 46 6.028 -0.751 -0.209 1.00 0.17 C ATOM 668 O VAL A 46 6.352 -1.281 0.857 1.00 0.19 O ATOM 669 CB VAL A 46 4.252 -2.086 -1.500 1.00 0.22 C ATOM 670 CG1 VAL A 46 3.863 -3.044 -0.381 1.00 0.27 C ATOM 671 CG2 VAL A 46 3.291 -0.904 -1.428 1.00 0.31 C ATOM 0 H VAL A 46 6.592 -3.302 -0.506 1.00 0.21 H new ATOM 0 HA VAL A 46 5.900 -1.024 -2.301 1.00 0.18 H new ATOM 0 HB VAL A 46 4.173 -2.592 -2.462 1.00 0.22 H new ATOM 0 HG11 VAL A 46 2.816 -3.328 -0.492 1.00 0.27 H new ATOM 0 HG12 VAL A 46 4.488 -3.936 -0.432 1.00 0.27 H new ATOM 0 HG13 VAL A 46 4.006 -2.555 0.583 1.00 0.27 H new ATOM 0 HG21 VAL A 46 2.265 -1.265 -1.490 1.00 0.31 H new ATOM 0 HG22 VAL A 46 3.434 -0.376 -0.485 1.00 0.31 H new ATOM 0 HG23 VAL A 46 3.487 -0.225 -2.257 1.00 0.31 H new ATOM 681 N ASN A 47 5.951 0.580 -0.380 1.00 0.18 N ATOM 682 CA ASN A 47 6.198 1.557 0.669 1.00 0.18 C ATOM 683 C ASN A 47 5.002 2.502 0.716 1.00 0.20 C ATOM 684 O ASN A 47 4.504 2.904 -0.336 1.00 0.31 O ATOM 685 CB ASN A 47 7.475 2.352 0.362 1.00 0.21 C ATOM 686 CG ASN A 47 8.758 1.576 0.632 1.00 0.27 C ATOM 687 OD1 ASN A 47 9.446 1.148 -0.291 1.00 0.35 O ATOM 688 ND2 ASN A 47 9.116 1.430 1.903 1.00 0.30 N ATOM 0 H ASN A 47 5.709 1.005 -1.275 1.00 0.18 H new ATOM 0 HA ASN A 47 6.330 1.055 1.628 1.00 0.18 H new ATOM 0 HB2 ASN A 47 7.459 2.658 -0.684 1.00 0.21 H new ATOM 0 HB3 ASN A 47 7.479 3.263 0.961 1.00 0.21 H new ATOM 0 HD21 ASN A 47 9.986 0.950 2.136 1.00 0.30 H new ATOM 0 HD22 ASN A 47 8.521 1.798 2.646 1.00 0.30 H new ATOM 695 N VAL A 48 4.548 2.874 1.914 1.00 0.18 N ATOM 696 CA VAL A 48 3.354 3.673 2.126 1.00 0.19 C ATOM 697 C VAL A 48 3.762 4.733 3.144 1.00 0.19 C ATOM 698 O VAL A 48 4.321 4.377 4.185 1.00 0.21 O ATOM 699 CB VAL A 48 2.203 2.773 2.614 1.00 0.29 C ATOM 700 CG1 VAL A 48 0.943 3.568 2.959 1.00 1.89 C ATOM 701 CG2 VAL A 48 1.835 1.710 1.570 1.00 1.86 C ATOM 0 H VAL A 48 5.018 2.618 2.782 1.00 0.18 H new ATOM 0 HA VAL A 48 2.983 4.149 1.218 1.00 0.19 H new ATOM 0 HB VAL A 48 2.574 2.291 3.518 1.00 0.29 H new ATOM 0 HG11 VAL A 48 0.163 2.885 3.297 1.00 1.89 H new ATOM 0 HG12 VAL A 48 1.169 4.282 3.751 1.00 1.89 H new ATOM 0 HG13 VAL A 48 0.597 4.104 2.075 1.00 1.89 H new ATOM 0 HG21 VAL A 48 1.020 1.094 1.950 1.00 1.86 H new ATOM 0 HG22 VAL A 48 1.521 2.199 0.648 1.00 1.86 H new ATOM 0 HG23 VAL A 48 2.702 1.081 1.370 1.00 1.86 H new ATOM 711 N ILE A 49 3.550 6.007 2.800 1.00 0.21 N ATOM 712 CA ILE A 49 3.933 7.177 3.566 1.00 0.25 C ATOM 713 C ILE A 49 2.667 7.747 4.227 1.00 0.24 C ATOM 714 O ILE A 49 1.855 8.417 3.575 1.00 0.29 O ATOM 715 CB ILE A 49 4.604 8.227 2.652 1.00 0.31 C ATOM 716 CG1 ILE A 49 5.609 7.641 1.643 1.00 0.44 C ATOM 717 CG2 ILE A 49 5.255 9.328 3.500 1.00 0.38 C ATOM 718 CD1 ILE A 49 6.754 6.858 2.288 1.00 0.32 C ATOM 0 H ILE A 49 3.080 6.254 1.929 1.00 0.21 H new ATOM 0 HA ILE A 49 4.659 6.907 4.333 1.00 0.25 H new ATOM 0 HB ILE A 49 3.805 8.653 2.045 1.00 0.31 H new ATOM 0 HG12 ILE A 49 5.076 6.985 0.955 1.00 0.44 H new ATOM 0 HG13 ILE A 49 6.028 8.454 1.049 1.00 0.44 H new ATOM 0 HG21 ILE A 49 5.725 10.062 2.845 1.00 0.38 H new ATOM 0 HG22 ILE A 49 4.494 9.818 4.107 1.00 0.38 H new ATOM 0 HG23 ILE A 49 6.010 8.887 4.151 1.00 0.38 H new ATOM 0 HD11 ILE A 49 7.418 6.478 1.511 1.00 0.32 H new ATOM 0 HD12 ILE A 49 7.314 7.514 2.954 1.00 0.32 H new ATOM 0 HD13 ILE A 49 6.348 6.023 2.858 1.00 0.32 H new ATOM 730 N TYR A 50 2.472 7.467 5.517 1.00 0.31 N ATOM 731 CA TYR A 50 1.242 7.815 6.218 1.00 0.34 C ATOM 732 C TYR A 50 1.528 8.262 7.635 1.00 0.33 C ATOM 733 O TYR A 50 2.664 8.158 8.093 1.00 0.35 O ATOM 734 CB TYR A 50 0.277 6.627 6.230 1.00 0.35 C ATOM 735 CG TYR A 50 0.702 5.436 7.059 1.00 0.39 C ATOM 736 CD1 TYR A 50 1.585 4.488 6.523 1.00 1.50 C ATOM 737 CD2 TYR A 50 0.093 5.192 8.301 1.00 1.71 C ATOM 738 CE1 TYR A 50 1.748 3.253 7.164 1.00 1.50 C ATOM 739 CE2 TYR A 50 0.371 4.009 9.004 1.00 1.72 C ATOM 740 CZ TYR A 50 1.169 3.020 8.417 1.00 0.51 C ATOM 741 OH TYR A 50 1.397 1.846 9.071 1.00 0.66 O ATOM 0 H TYR A 50 3.162 6.994 6.101 1.00 0.31 H new ATOM 0 HA TYR A 50 0.778 8.644 5.684 1.00 0.34 H new ATOM 0 HB2 TYR A 50 -0.689 6.973 6.596 1.00 0.35 H new ATOM 0 HB3 TYR A 50 0.128 6.295 5.203 1.00 0.35 H new ATOM 0 HD1 TYR A 50 2.136 4.709 5.621 1.00 1.50 H new ATOM 0 HD2 TYR A 50 -0.591 5.917 8.717 1.00 1.71 H new ATOM 0 HE1 TYR A 50 2.325 2.474 6.688 1.00 1.50 H new ATOM 0 HE2 TYR A 50 -0.030 3.862 9.996 1.00 1.72 H new ATOM 0 HH TYR A 50 0.920 1.851 9.927 1.00 0.66 H new ATOM 751 N ASP A 51 0.488 8.739 8.315 1.00 0.32 N ATOM 752 CA ASP A 51 0.570 9.073 9.733 1.00 0.31 C ATOM 753 C ASP A 51 0.129 7.856 10.556 1.00 0.29 C ATOM 754 O ASP A 51 -1.038 7.460 10.469 1.00 0.37 O ATOM 755 CB ASP A 51 -0.274 10.305 10.072 1.00 0.51 C ATOM 756 CG ASP A 51 -0.340 10.467 11.587 1.00 1.93 C ATOM 757 OD1 ASP A 51 -1.123 9.698 12.178 1.00 3.04 O ATOM 758 OD2 ASP A 51 0.428 11.275 12.152 1.00 2.83 O ATOM 0 H ASP A 51 -0.429 8.904 7.901 1.00 0.32 H new ATOM 0 HA ASP A 51 1.602 9.324 9.980 1.00 0.31 H new ATOM 0 HB2 ASP A 51 0.162 11.195 9.618 1.00 0.51 H new ATOM 0 HB3 ASP A 51 -1.278 10.197 9.662 1.00 0.51 H new ATOM 763 N PRO A 52 1.028 7.249 11.351 1.00 0.33 N ATOM 764 CA PRO A 52 0.719 6.044 12.098 1.00 0.42 C ATOM 765 C PRO A 52 -0.025 6.316 13.412 1.00 0.53 C ATOM 766 O PRO A 52 -0.129 5.405 14.232 1.00 0.66 O ATOM 767 CB PRO A 52 2.069 5.356 12.319 1.00 0.59 C ATOM 768 CG PRO A 52 3.006 6.553 12.484 1.00 0.58 C ATOM 769 CD PRO A 52 2.439 7.576 11.495 1.00 0.40 C ATOM 0 HA PRO A 52 0.026 5.409 11.546 1.00 0.42 H new ATOM 0 HB2 PRO A 52 2.063 4.717 13.202 1.00 0.59 H new ATOM 0 HB3 PRO A 52 2.352 4.729 11.474 1.00 0.59 H new ATOM 0 HG2 PRO A 52 2.999 6.933 13.506 1.00 0.58 H new ATOM 0 HG3 PRO A 52 4.038 6.293 12.248 1.00 0.58 H new ATOM 0 HD2 PRO A 52 2.569 8.592 11.867 1.00 0.40 H new ATOM 0 HD3 PRO A 52 2.953 7.519 10.536 1.00 0.40 H new ATOM 777 N ALA A 53 -0.550 7.529 13.633 1.00 0.56 N ATOM 778 CA ALA A 53 -1.540 7.772 14.669 1.00 0.73 C ATOM 779 C ALA A 53 -2.946 7.630 14.079 1.00 0.61 C ATOM 780 O ALA A 53 -3.865 7.237 14.797 1.00 0.78 O ATOM 781 CB ALA A 53 -1.340 9.169 15.264 1.00 0.93 C ATOM 0 H ALA A 53 -0.296 8.359 13.097 1.00 0.56 H new ATOM 0 HA ALA A 53 -1.420 7.039 15.467 1.00 0.73 H new ATOM 0 HB1 ALA A 53 -2.085 9.344 16.040 1.00 0.93 H new ATOM 0 HB2 ALA A 53 -0.342 9.241 15.697 1.00 0.93 H new ATOM 0 HB3 ALA A 53 -1.450 9.918 14.480 1.00 0.93 H new ATOM 787 N GLU A 54 -3.125 7.977 12.796 1.00 0.44 N ATOM 788 CA GLU A 54 -4.428 8.110 12.164 1.00 0.49 C ATOM 789 C GLU A 54 -4.696 6.853 11.336 1.00 0.49 C ATOM 790 O GLU A 54 -5.687 6.158 11.558 1.00 0.63 O ATOM 791 CB GLU A 54 -4.470 9.403 11.328 1.00 0.63 C ATOM 792 CG GLU A 54 -5.840 10.093 11.385 1.00 0.73 C ATOM 793 CD GLU A 54 -5.913 11.267 10.412 1.00 1.66 C ATOM 794 OE1 GLU A 54 -6.102 11.002 9.202 1.00 2.65 O ATOM 795 OE2 GLU A 54 -5.776 12.412 10.894 1.00 2.69 O ATOM 0 H GLU A 54 -2.349 8.175 12.165 1.00 0.44 H new ATOM 0 HA GLU A 54 -5.221 8.195 12.907 1.00 0.49 H new ATOM 0 HB2 GLU A 54 -3.705 10.090 11.689 1.00 0.63 H new ATOM 0 HB3 GLU A 54 -4.226 9.170 10.291 1.00 0.63 H new ATOM 0 HG2 GLU A 54 -6.622 9.372 11.147 1.00 0.73 H new ATOM 0 HG3 GLU A 54 -6.029 10.446 12.399 1.00 0.73 H new ATOM 802 N THR A 55 -3.774 6.536 10.418 1.00 0.44 N ATOM 803 CA THR A 55 -3.577 5.188 9.914 1.00 0.47 C ATOM 804 C THR A 55 -2.695 4.298 10.770 1.00 0.42 C ATOM 805 O THR A 55 -2.191 4.663 11.826 1.00 0.41 O ATOM 806 CB THR A 55 -3.427 5.045 8.380 1.00 0.47 C ATOM 807 OG1 THR A 55 -3.026 6.266 7.808 1.00 0.64 O ATOM 808 CG2 THR A 55 -4.791 4.771 7.755 1.00 0.42 C ATOM 0 H THR A 55 -3.142 7.222 10.006 1.00 0.44 H new ATOM 0 HA THR A 55 -4.559 4.737 10.059 1.00 0.47 H new ATOM 0 HB THR A 55 -2.706 4.248 8.202 1.00 0.47 H new ATOM 0 HG1 THR A 55 -3.778 6.660 7.318 1.00 0.64 H new ATOM 0 HG21 THR A 55 -4.683 4.671 6.675 1.00 0.42 H new ATOM 0 HG22 THR A 55 -5.201 3.848 8.166 1.00 0.42 H new ATOM 0 HG23 THR A 55 -5.466 5.598 7.977 1.00 0.42 H new ATOM 816 N GLY A 56 -2.614 3.067 10.290 1.00 0.63 N ATOM 817 CA GLY A 56 -1.985 1.899 10.835 1.00 0.65 C ATOM 818 C GLY A 56 -2.070 0.895 9.692 1.00 1.05 C ATOM 819 O GLY A 56 -2.073 1.276 8.522 1.00 2.52 O ATOM 0 H GLY A 56 -3.048 2.849 9.393 1.00 0.63 H new ATOM 0 HA2 GLY A 56 -0.952 2.095 11.123 1.00 0.65 H new ATOM 0 HA3 GLY A 56 -2.502 1.541 11.725 1.00 0.65 H new ATOM 823 N THR A 57 -2.202 -0.377 10.026 1.00 0.61 N ATOM 824 CA THR A 57 -2.413 -1.463 9.096 1.00 0.69 C ATOM 825 C THR A 57 -3.867 -1.460 8.628 1.00 0.54 C ATOM 826 O THR A 57 -4.161 -1.868 7.509 1.00 0.54 O ATOM 827 CB THR A 57 -2.048 -2.751 9.834 1.00 1.15 C ATOM 828 OG1 THR A 57 -2.723 -2.740 11.080 1.00 1.40 O ATOM 829 CG2 THR A 57 -0.535 -2.783 10.090 1.00 1.31 C ATOM 0 H THR A 57 -2.163 -0.690 10.996 1.00 0.61 H new ATOM 0 HA THR A 57 -1.795 -1.366 8.203 1.00 0.69 H new ATOM 0 HB THR A 57 -2.332 -3.622 9.243 1.00 1.15 H new ATOM 0 HG1 THR A 57 -2.508 -3.558 11.576 1.00 1.40 H new ATOM 0 HG21 THR A 57 -0.274 -3.701 10.616 1.00 1.31 H new ATOM 0 HG22 THR A 57 -0.004 -2.747 9.139 1.00 1.31 H new ATOM 0 HG23 THR A 57 -0.250 -1.924 10.697 1.00 1.31 H new ATOM 837 N ALA A 58 -4.771 -1.040 9.522 1.00 0.62 N ATOM 838 CA ALA A 58 -6.198 -1.282 9.430 1.00 0.60 C ATOM 839 C ALA A 58 -6.782 -0.919 8.077 1.00 0.58 C ATOM 840 O ALA A 58 -7.282 -1.768 7.336 1.00 0.54 O ATOM 841 CB ALA A 58 -6.919 -0.563 10.576 1.00 0.72 C ATOM 0 H ALA A 58 -4.511 -0.507 10.352 1.00 0.62 H new ATOM 0 HA ALA A 58 -6.356 -2.356 9.529 1.00 0.60 H new ATOM 0 HB1 ALA A 58 -7.991 -0.747 10.504 1.00 0.72 H new ATOM 0 HB2 ALA A 58 -6.550 -0.938 11.530 1.00 0.72 H new ATOM 0 HB3 ALA A 58 -6.730 0.508 10.510 1.00 0.72 H new ATOM 847 N ALA A 59 -6.662 0.362 7.754 1.00 0.61 N ATOM 848 CA ALA A 59 -7.334 0.884 6.568 1.00 0.57 C ATOM 849 C ALA A 59 -6.651 0.321 5.331 1.00 0.47 C ATOM 850 O ALA A 59 -7.285 0.053 4.312 1.00 0.44 O ATOM 851 CB ALA A 59 -7.304 2.409 6.555 1.00 0.57 C ATOM 0 H ALA A 59 -6.119 1.046 8.281 1.00 0.61 H new ATOM 0 HA ALA A 59 -8.380 0.578 6.578 1.00 0.57 H new ATOM 0 HB1 ALA A 59 -7.811 2.775 5.662 1.00 0.57 H new ATOM 0 HB2 ALA A 59 -7.810 2.790 7.442 1.00 0.57 H new ATOM 0 HB3 ALA A 59 -6.270 2.753 6.552 1.00 0.57 H new ATOM 857 N ILE A 60 -5.337 0.140 5.447 1.00 0.49 N ATOM 858 CA ILE A 60 -4.504 -0.406 4.407 1.00 0.45 C ATOM 859 C ILE A 60 -4.964 -1.813 4.065 1.00 0.42 C ATOM 860 O ILE A 60 -5.199 -2.089 2.898 1.00 0.38 O ATOM 861 CB ILE A 60 -3.025 -0.299 4.835 1.00 0.45 C ATOM 862 CG1 ILE A 60 -2.470 1.049 4.378 1.00 0.44 C ATOM 863 CG2 ILE A 60 -2.117 -1.372 4.229 1.00 0.44 C ATOM 864 CD1 ILE A 60 -3.067 2.249 5.122 1.00 1.23 C ATOM 0 H ILE A 60 -4.820 0.379 6.293 1.00 0.49 H new ATOM 0 HA ILE A 60 -4.596 0.164 3.483 1.00 0.45 H new ATOM 0 HB ILE A 60 -3.023 -0.424 5.918 1.00 0.45 H new ATOM 0 HG12 ILE A 60 -1.388 1.051 4.514 1.00 0.44 H new ATOM 0 HG13 ILE A 60 -2.657 1.165 3.311 1.00 0.44 H new ATOM 0 HG21 ILE A 60 -1.096 -1.225 4.580 1.00 0.44 H new ATOM 0 HG22 ILE A 60 -2.467 -2.359 4.533 1.00 0.44 H new ATOM 0 HG23 ILE A 60 -2.141 -1.297 3.142 1.00 0.44 H new ATOM 0 HD11 ILE A 60 -2.624 3.170 4.742 1.00 1.23 H new ATOM 0 HD12 ILE A 60 -4.145 2.274 4.966 1.00 1.23 H new ATOM 0 HD13 ILE A 60 -2.857 2.158 6.188 1.00 1.23 H new ATOM 876 N GLN A 61 -5.120 -2.697 5.052 1.00 0.47 N ATOM 877 CA GLN A 61 -5.518 -4.075 4.796 1.00 0.47 C ATOM 878 C GLN A 61 -6.915 -4.077 4.157 1.00 0.43 C ATOM 879 O GLN A 61 -7.131 -4.733 3.137 1.00 0.40 O ATOM 880 CB GLN A 61 -5.482 -4.900 6.092 1.00 0.61 C ATOM 881 CG GLN A 61 -4.469 -6.057 6.072 1.00 0.64 C ATOM 882 CD GLN A 61 -3.033 -5.659 6.418 1.00 0.73 C ATOM 883 OE1 GLN A 61 -2.669 -4.387 6.290 1.00 1.15 O flip ATOM 884 NE2 GLN A 61 -2.238 -6.500 6.820 1.00 1.06 N flip ATOM 0 H GLN A 61 -4.975 -2.478 6.038 1.00 0.47 H new ATOM 0 HA GLN A 61 -4.816 -4.542 4.105 1.00 0.47 H new ATOM 0 HB2 GLN A 61 -5.245 -4.238 6.925 1.00 0.61 H new ATOM 0 HB3 GLN A 61 -6.476 -5.305 6.280 1.00 0.61 H new ATOM 0 HG2 GLN A 61 -4.798 -6.822 6.775 1.00 0.64 H new ATOM 0 HG3 GLN A 61 -4.477 -6.511 5.081 1.00 0.64 H new ATOM 0 HE21 GLN A 61 -2.529 -7.473 6.914 1.00 1.06 H new ATOM 0 HE22 GLN A 61 -1.285 -6.227 7.061 1.00 1.06 H new ATOM 893 N GLU A 62 -7.844 -3.306 4.740 1.00 0.45 N ATOM 894 CA GLU A 62 -9.181 -3.122 4.186 1.00 0.45 C ATOM 895 C GLU A 62 -9.114 -2.776 2.696 1.00 0.39 C ATOM 896 O GLU A 62 -9.745 -3.411 1.848 1.00 0.42 O ATOM 897 CB GLU A 62 -9.900 -2.006 4.961 1.00 0.51 C ATOM 898 CG GLU A 62 -10.776 -2.544 6.094 1.00 0.55 C ATOM 899 CD GLU A 62 -11.665 -1.431 6.634 1.00 1.92 C ATOM 900 OE1 GLU A 62 -11.092 -0.386 7.010 1.00 3.19 O ATOM 901 OE2 GLU A 62 -12.898 -1.627 6.611 1.00 2.63 O ATOM 0 H GLU A 62 -7.684 -2.795 5.608 1.00 0.45 H new ATOM 0 HA GLU A 62 -9.737 -4.054 4.287 1.00 0.45 H new ATOM 0 HB2 GLU A 62 -9.160 -1.321 5.374 1.00 0.51 H new ATOM 0 HB3 GLU A 62 -10.518 -1.430 4.272 1.00 0.51 H new ATOM 0 HG2 GLU A 62 -11.390 -3.368 5.731 1.00 0.55 H new ATOM 0 HG3 GLU A 62 -10.150 -2.941 6.893 1.00 0.55 H new ATOM 908 N LYS A 63 -8.359 -1.728 2.370 1.00 0.34 N ATOM 909 CA LYS A 63 -8.224 -1.264 1.014 1.00 0.34 C ATOM 910 C LYS A 63 -7.552 -2.301 0.127 1.00 0.35 C ATOM 911 O LYS A 63 -8.029 -2.527 -0.976 1.00 0.39 O ATOM 912 CB LYS A 63 -7.425 0.033 1.017 1.00 0.46 C ATOM 913 CG LYS A 63 -8.298 1.289 1.056 1.00 0.68 C ATOM 914 CD LYS A 63 -8.732 1.780 -0.339 1.00 1.31 C ATOM 915 CE LYS A 63 -9.702 0.866 -1.101 1.00 2.03 C ATOM 916 NZ LYS A 63 -10.968 0.652 -0.372 1.00 2.40 N ATOM 0 H LYS A 63 -7.827 -1.184 3.050 1.00 0.34 H new ATOM 0 HA LYS A 63 -9.218 -1.090 0.603 1.00 0.34 H new ATOM 0 HB2 LYS A 63 -6.758 0.037 1.879 1.00 0.46 H new ATOM 0 HB3 LYS A 63 -6.796 0.065 0.127 1.00 0.46 H new ATOM 0 HG2 LYS A 63 -9.187 1.086 1.654 1.00 0.68 H new ATOM 0 HG3 LYS A 63 -7.751 2.086 1.559 1.00 0.68 H new ATOM 0 HD2 LYS A 63 -9.197 2.760 -0.229 1.00 1.31 H new ATOM 0 HD3 LYS A 63 -7.839 1.918 -0.948 1.00 1.31 H new ATOM 0 HE2 LYS A 63 -9.917 1.303 -2.076 1.00 2.03 H new ATOM 0 HE3 LYS A 63 -9.223 -0.096 -1.282 1.00 2.03 H new ATOM 0 HZ1 LYS A 63 -11.099 -0.364 -0.194 1.00 2.40 H new ATOM 0 HZ2 LYS A 63 -10.937 1.161 0.534 1.00 2.40 H new ATOM 0 HZ3 LYS A 63 -11.761 1.008 -0.942 1.00 2.40 H new ATOM 930 N ILE A 64 -6.446 -2.883 0.583 1.00 0.32 N ATOM 931 CA ILE A 64 -5.627 -3.845 -0.124 1.00 0.29 C ATOM 932 C ILE A 64 -6.538 -4.915 -0.751 1.00 0.31 C ATOM 933 O ILE A 64 -6.477 -5.173 -1.956 1.00 0.35 O ATOM 934 CB ILE A 64 -4.618 -4.393 0.896 1.00 0.32 C ATOM 935 CG1 ILE A 64 -3.364 -3.508 0.932 1.00 0.39 C ATOM 936 CG2 ILE A 64 -4.307 -5.874 0.716 1.00 0.32 C ATOM 937 CD1 ILE A 64 -2.394 -3.834 -0.193 1.00 0.51 C ATOM 0 H ILE A 64 -6.081 -2.678 1.513 1.00 0.32 H new ATOM 0 HA ILE A 64 -5.069 -3.413 -0.955 1.00 0.29 H new ATOM 0 HB ILE A 64 -5.089 -4.343 1.878 1.00 0.32 H new ATOM 0 HG12 ILE A 64 -3.659 -2.461 0.862 1.00 0.39 H new ATOM 0 HG13 ILE A 64 -2.861 -3.634 1.891 1.00 0.39 H new ATOM 0 HG21 ILE A 64 -3.588 -6.189 1.472 1.00 0.32 H new ATOM 0 HG22 ILE A 64 -5.224 -6.454 0.823 1.00 0.32 H new ATOM 0 HG23 ILE A 64 -3.887 -6.040 -0.276 1.00 0.32 H new ATOM 0 HD11 ILE A 64 -1.524 -3.181 -0.124 1.00 0.51 H new ATOM 0 HD12 ILE A 64 -2.076 -4.873 -0.109 1.00 0.51 H new ATOM 0 HD13 ILE A 64 -2.886 -3.682 -1.153 1.00 0.51 H new ATOM 949 N GLU A 65 -7.426 -5.487 0.073 1.00 0.37 N ATOM 950 CA GLU A 65 -8.421 -6.454 -0.368 1.00 0.46 C ATOM 951 C GLU A 65 -9.300 -5.845 -1.461 1.00 0.56 C ATOM 952 O GLU A 65 -9.378 -6.365 -2.571 1.00 0.63 O ATOM 953 CB GLU A 65 -9.273 -6.892 0.833 1.00 0.57 C ATOM 954 CG GLU A 65 -8.490 -7.763 1.825 1.00 0.51 C ATOM 955 CD GLU A 65 -8.549 -9.249 1.480 1.00 0.66 C ATOM 956 OE1 GLU A 65 -8.567 -9.561 0.271 1.00 1.47 O ATOM 957 OE2 GLU A 65 -8.592 -10.045 2.441 1.00 1.49 O ATOM 0 H GLU A 65 -7.468 -5.285 1.072 1.00 0.37 H new ATOM 0 HA GLU A 65 -7.920 -7.328 -0.784 1.00 0.46 H new ATOM 0 HB2 GLU A 65 -9.649 -6.008 1.349 1.00 0.57 H new ATOM 0 HB3 GLU A 65 -10.141 -7.446 0.475 1.00 0.57 H new ATOM 0 HG2 GLU A 65 -7.449 -7.440 1.843 1.00 0.51 H new ATOM 0 HG3 GLU A 65 -8.888 -7.611 2.828 1.00 0.51 H new ATOM 964 N LYS A 66 -9.958 -4.721 -1.159 1.00 0.61 N ATOM 965 CA LYS A 66 -10.864 -4.052 -2.093 1.00 0.74 C ATOM 966 C LYS A 66 -10.198 -3.713 -3.435 1.00 0.76 C ATOM 967 O LYS A 66 -10.854 -3.739 -4.473 1.00 0.91 O ATOM 968 CB LYS A 66 -11.457 -2.791 -1.437 1.00 0.79 C ATOM 969 CG LYS A 66 -12.934 -2.980 -1.070 1.00 1.08 C ATOM 970 CD LYS A 66 -13.824 -2.911 -2.322 1.00 2.78 C ATOM 971 CE LYS A 66 -15.303 -3.072 -1.941 1.00 3.19 C ATOM 972 NZ LYS A 66 -16.193 -2.996 -3.119 1.00 4.85 N ATOM 0 H LYS A 66 -9.876 -4.250 -0.258 1.00 0.61 H new ATOM 0 HA LYS A 66 -11.667 -4.752 -2.322 1.00 0.74 H new ATOM 0 HB2 LYS A 66 -10.888 -2.546 -0.540 1.00 0.79 H new ATOM 0 HB3 LYS A 66 -11.357 -1.946 -2.118 1.00 0.79 H new ATOM 0 HG2 LYS A 66 -13.070 -3.942 -0.575 1.00 1.08 H new ATOM 0 HG3 LYS A 66 -13.238 -2.211 -0.360 1.00 1.08 H new ATOM 0 HD2 LYS A 66 -13.675 -1.958 -2.829 1.00 2.78 H new ATOM 0 HD3 LYS A 66 -13.536 -3.694 -3.024 1.00 2.78 H new ATOM 0 HE2 LYS A 66 -15.446 -4.030 -1.441 1.00 3.19 H new ATOM 0 HE3 LYS A 66 -15.580 -2.296 -1.228 1.00 3.19 H new ATOM 0 HZ1 LYS A 66 -17.181 -3.110 -2.815 1.00 4.85 H new ATOM 0 HZ2 LYS A 66 -16.077 -2.072 -3.583 1.00 4.85 H new ATOM 0 HZ3 LYS A 66 -15.948 -3.753 -3.789 1.00 4.85 H new ATOM 986 N LEU A 67 -8.916 -3.355 -3.401 1.00 0.65 N ATOM 987 CA LEU A 67 -8.089 -3.044 -4.558 1.00 0.74 C ATOM 988 C LEU A 67 -7.766 -4.303 -5.371 1.00 0.79 C ATOM 989 O LEU A 67 -7.373 -4.192 -6.530 1.00 0.93 O ATOM 990 CB LEU A 67 -6.818 -2.325 -4.090 1.00 0.69 C ATOM 991 CG LEU A 67 -7.134 -0.914 -3.561 1.00 0.74 C ATOM 992 CD1 LEU A 67 -6.004 -0.427 -2.651 1.00 0.78 C ATOM 993 CD2 LEU A 67 -7.386 0.085 -4.699 1.00 0.80 C ATOM 0 H LEU A 67 -8.404 -3.271 -2.523 1.00 0.65 H new ATOM 0 HA LEU A 67 -8.641 -2.382 -5.225 1.00 0.74 H new ATOM 0 HB2 LEU A 67 -6.335 -2.909 -3.307 1.00 0.69 H new ATOM 0 HB3 LEU A 67 -6.112 -2.255 -4.917 1.00 0.69 H new ATOM 0 HG LEU A 67 -8.055 -0.976 -2.982 1.00 0.74 H new ATOM 0 HD11 LEU A 67 -6.238 0.572 -2.283 1.00 0.78 H new ATOM 0 HD12 LEU A 67 -5.897 -1.109 -1.807 1.00 0.78 H new ATOM 0 HD13 LEU A 67 -5.071 -0.397 -3.214 1.00 0.78 H new ATOM 0 HD21 LEU A 67 -7.605 1.067 -4.279 1.00 0.80 H new ATOM 0 HD22 LEU A 67 -6.499 0.149 -5.330 1.00 0.80 H new ATOM 0 HD23 LEU A 67 -8.233 -0.251 -5.297 1.00 0.80 H new ATOM 1005 N GLY A 68 -7.920 -5.488 -4.774 1.00 0.72 N ATOM 1006 CA GLY A 68 -7.686 -6.763 -5.425 1.00 0.79 C ATOM 1007 C GLY A 68 -6.222 -7.165 -5.305 1.00 0.75 C ATOM 1008 O GLY A 68 -5.629 -7.616 -6.282 1.00 0.84 O ATOM 0 H GLY A 68 -8.218 -5.581 -3.803 1.00 0.72 H new ATOM 0 HA2 GLY A 68 -8.317 -7.529 -4.974 1.00 0.79 H new ATOM 0 HA3 GLY A 68 -7.966 -6.697 -6.476 1.00 0.79 H new ATOM 1012 N TYR A 69 -5.642 -7.002 -4.111 1.00 0.64 N ATOM 1013 CA TYR A 69 -4.259 -7.352 -3.821 1.00 0.59 C ATOM 1014 C TYR A 69 -4.175 -8.029 -2.460 1.00 0.47 C ATOM 1015 O TYR A 69 -5.144 -8.021 -1.704 1.00 0.44 O ATOM 1016 CB TYR A 69 -3.417 -6.074 -3.808 1.00 0.61 C ATOM 1017 CG TYR A 69 -2.306 -6.116 -4.823 1.00 0.87 C ATOM 1018 CD1 TYR A 69 -2.613 -6.001 -6.188 1.00 1.36 C ATOM 1019 CD2 TYR A 69 -0.970 -6.235 -4.407 1.00 2.43 C ATOM 1020 CE1 TYR A 69 -1.581 -5.885 -7.128 1.00 1.35 C ATOM 1021 CE2 TYR A 69 0.059 -6.061 -5.341 1.00 2.68 C ATOM 1022 CZ TYR A 69 -0.243 -5.869 -6.698 1.00 1.42 C ATOM 1023 OH TYR A 69 0.765 -5.634 -7.584 1.00 1.71 O ATOM 0 H TYR A 69 -6.136 -6.615 -3.307 1.00 0.64 H new ATOM 0 HA TYR A 69 -3.885 -8.036 -4.583 1.00 0.59 H new ATOM 0 HB2 TYR A 69 -4.058 -5.216 -4.009 1.00 0.61 H new ATOM 0 HB3 TYR A 69 -2.994 -5.930 -2.814 1.00 0.61 H new ATOM 0 HD1 TYR A 69 -3.643 -6.002 -6.513 1.00 1.36 H new ATOM 0 HD2 TYR A 69 -0.738 -6.459 -3.376 1.00 2.43 H new ATOM 0 HE1 TYR A 69 -1.813 -5.808 -8.180 1.00 1.35 H new ATOM 0 HE2 TYR A 69 1.089 -6.075 -5.016 1.00 2.68 H new ATOM 0 HH TYR A 69 1.625 -5.658 -7.115 1.00 1.71 H new ATOM 1033 N HIS A 70 -2.991 -8.542 -2.110 1.00 0.45 N ATOM 1034 CA HIS A 70 -2.693 -8.921 -0.740 1.00 0.34 C ATOM 1035 C HIS A 70 -1.214 -8.664 -0.457 1.00 0.46 C ATOM 1036 O HIS A 70 -0.359 -8.984 -1.283 1.00 0.73 O ATOM 1037 CB HIS A 70 -3.108 -10.377 -0.489 1.00 0.40 C ATOM 1038 CG HIS A 70 -3.320 -10.699 0.970 1.00 0.65 C ATOM 1039 ND1 HIS A 70 -3.928 -9.883 1.900 1.00 1.96 N ATOM 1040 CD2 HIS A 70 -3.090 -11.907 1.572 1.00 1.40 C ATOM 1041 CE1 HIS A 70 -4.027 -10.579 3.045 1.00 1.81 C ATOM 1042 NE2 HIS A 70 -3.531 -11.818 2.896 1.00 1.17 N ATOM 0 H HIS A 70 -2.226 -8.702 -2.765 1.00 0.45 H new ATOM 0 HA HIS A 70 -3.270 -8.312 -0.044 1.00 0.34 H new ATOM 0 HB2 HIS A 70 -4.028 -10.584 -1.036 1.00 0.40 H new ATOM 0 HB3 HIS A 70 -2.342 -11.040 -0.892 1.00 0.40 H new ATOM 0 HD2 HIS A 70 -2.647 -12.775 1.107 1.00 1.40 H new ATOM 0 HE1 HIS A 70 -4.449 -10.194 3.962 1.00 1.81 H new ATOM 0 HE2 HIS A 70 -3.485 -12.548 3.607 1.00 1.17 H new ATOM 1050 N VAL A 71 -0.911 -8.044 0.686 1.00 0.43 N ATOM 1051 CA VAL A 71 0.442 -7.788 1.129 1.00 0.53 C ATOM 1052 C VAL A 71 0.871 -8.842 2.140 1.00 0.54 C ATOM 1053 O VAL A 71 0.034 -9.535 2.715 1.00 0.67 O ATOM 1054 CB VAL A 71 0.559 -6.364 1.676 1.00 0.69 C ATOM 1055 CG1 VAL A 71 0.582 -5.373 0.509 1.00 2.49 C ATOM 1056 CG2 VAL A 71 -0.520 -6.008 2.708 1.00 2.00 C ATOM 0 H VAL A 71 -1.620 -7.703 1.335 1.00 0.43 H new ATOM 0 HA VAL A 71 1.125 -7.861 0.282 1.00 0.53 H new ATOM 0 HB VAL A 71 1.498 -6.301 2.226 1.00 0.69 H new ATOM 0 HG11 VAL A 71 0.665 -4.357 0.896 1.00 2.49 H new ATOM 0 HG12 VAL A 71 1.436 -5.588 -0.134 1.00 2.49 H new ATOM 0 HG13 VAL A 71 -0.339 -5.468 -0.067 1.00 2.49 H new ATOM 0 HG21 VAL A 71 -0.372 -4.984 3.050 1.00 2.00 H new ATOM 0 HG22 VAL A 71 -1.505 -6.099 2.251 1.00 2.00 H new ATOM 0 HG23 VAL A 71 -0.450 -6.688 3.557 1.00 2.00 H new ATOM 1066 N VAL A 72 2.185 -8.964 2.330 1.00 0.51 N ATOM 1067 CA VAL A 72 2.810 -9.943 3.196 1.00 0.53 C ATOM 1068 C VAL A 72 3.790 -9.204 4.108 1.00 0.54 C ATOM 1069 O VAL A 72 4.438 -8.241 3.691 1.00 0.49 O ATOM 1070 CB VAL A 72 3.476 -11.047 2.368 1.00 0.51 C ATOM 1071 CG1 VAL A 72 3.887 -12.229 3.256 1.00 0.56 C ATOM 1072 CG2 VAL A 72 2.560 -11.572 1.252 1.00 0.55 C ATOM 0 H VAL A 72 2.861 -8.358 1.865 1.00 0.51 H new ATOM 0 HA VAL A 72 2.070 -10.447 3.818 1.00 0.53 H new ATOM 0 HB VAL A 72 4.358 -10.595 1.914 1.00 0.51 H new ATOM 0 HG11 VAL A 72 4.357 -12.998 2.643 1.00 0.56 H new ATOM 0 HG12 VAL A 72 4.592 -11.887 4.013 1.00 0.56 H new ATOM 0 HG13 VAL A 72 3.004 -12.643 3.743 1.00 0.56 H new ATOM 0 HG21 VAL A 72 3.077 -12.352 0.694 1.00 0.55 H new ATOM 0 HG22 VAL A 72 1.650 -11.982 1.691 1.00 0.55 H new ATOM 0 HG23 VAL A 72 2.302 -10.755 0.579 1.00 0.55 H new ATOM 1082 N ILE A 73 3.859 -9.641 5.366 1.00 0.63 N ATOM 1083 CA ILE A 73 4.646 -9.024 6.422 1.00 0.73 C ATOM 1084 C ILE A 73 5.680 -10.038 6.909 1.00 0.81 C ATOM 1085 O ILE A 73 5.499 -10.673 7.942 1.00 0.81 O ATOM 1086 CB ILE A 73 3.730 -8.524 7.553 1.00 0.74 C ATOM 1087 CG1 ILE A 73 2.653 -7.554 7.041 1.00 0.90 C ATOM 1088 CG2 ILE A 73 4.547 -7.844 8.662 1.00 0.87 C ATOM 1089 CD1 ILE A 73 3.186 -6.204 6.554 1.00 1.65 C ATOM 0 H ILE A 73 3.348 -10.465 5.684 1.00 0.63 H new ATOM 0 HA ILE A 73 5.174 -8.148 6.046 1.00 0.73 H new ATOM 0 HB ILE A 73 3.229 -9.403 7.959 1.00 0.74 H new ATOM 0 HG12 ILE A 73 2.112 -8.032 6.224 1.00 0.90 H new ATOM 0 HG13 ILE A 73 1.933 -7.378 7.840 1.00 0.90 H new ATOM 0 HG21 ILE A 73 3.876 -7.500 9.449 1.00 0.87 H new ATOM 0 HG22 ILE A 73 5.259 -8.556 9.078 1.00 0.87 H new ATOM 0 HG23 ILE A 73 5.086 -6.993 8.247 1.00 0.87 H new ATOM 0 HD11 ILE A 73 2.355 -5.587 6.212 1.00 1.65 H new ATOM 0 HD12 ILE A 73 3.700 -5.699 7.372 1.00 1.65 H new ATOM 0 HD13 ILE A 73 3.882 -6.363 5.731 1.00 1.65 H new ATOM 1101 N GLU A 74 6.782 -10.173 6.171 1.00 0.98 N ATOM 1102 CA GLU A 74 7.901 -11.019 6.518 1.00 1.15 C ATOM 1103 C GLU A 74 8.848 -10.405 7.560 1.00 1.29 C ATOM 1104 O GLU A 74 9.850 -11.006 7.938 1.00 1.45 O ATOM 1105 CB GLU A 74 8.630 -11.378 5.227 1.00 1.28 C ATOM 1106 CG GLU A 74 7.770 -12.293 4.344 1.00 1.11 C ATOM 1107 CD GLU A 74 8.480 -12.661 3.049 1.00 1.65 C ATOM 1108 OE1 GLU A 74 9.577 -13.247 3.151 1.00 2.43 O ATOM 1109 OE2 GLU A 74 7.908 -12.340 1.985 1.00 2.89 O ATOM 0 H GLU A 74 6.915 -9.677 5.290 1.00 0.98 H new ATOM 0 HA GLU A 74 7.518 -11.915 7.006 1.00 1.15 H new ATOM 0 HB2 GLU A 74 8.878 -10.468 4.680 1.00 1.28 H new ATOM 0 HB3 GLU A 74 9.571 -11.875 5.463 1.00 1.28 H new ATOM 0 HG2 GLU A 74 7.523 -13.201 4.894 1.00 1.11 H new ATOM 0 HG3 GLU A 74 6.828 -11.795 4.113 1.00 1.11 H new ATOM 1116 N GLY A 75 8.539 -9.183 7.982 1.00 1.30 N ATOM 1117 CA GLY A 75 9.365 -8.357 8.853 1.00 1.48 C ATOM 1118 C GLY A 75 9.000 -8.475 10.335 1.00 2.47 C ATOM 1119 O GLY A 75 9.877 -8.348 11.186 1.00 3.10 O ATOM 0 H GLY A 75 7.669 -8.723 7.714 1.00 1.30 H new ATOM 0 HA2 GLY A 75 10.410 -8.637 8.721 1.00 1.48 H new ATOM 0 HA3 GLY A 75 9.273 -7.315 8.546 1.00 1.48 H new ATOM 1123 N ARG A 76 7.710 -8.650 10.643 1.00 3.38 N ATOM 1124 CA ARG A 76 7.214 -8.812 12.000 1.00 5.06 C ATOM 1125 C ARG A 76 7.272 -10.291 12.373 1.00 6.19 C ATOM 1126 O ARG A 76 6.985 -11.110 11.474 1.00 6.72 O ATOM 1127 CB ARG A 76 5.778 -8.272 12.105 1.00 6.08 C ATOM 1128 CG ARG A 76 5.184 -8.476 13.507 1.00 7.87 C ATOM 1129 CD ARG A 76 3.740 -7.960 13.594 1.00 8.77 C ATOM 1130 NE ARG A 76 3.667 -6.502 13.792 1.00 9.35 N ATOM 1131 CZ ARG A 76 3.787 -5.890 14.982 1.00 10.30 C ATOM 1132 NH1 ARG A 76 4.166 -6.595 16.054 1.00 10.63 N ATOM 1133 NH2 ARG A 76 3.522 -4.583 15.098 1.00 11.28 N ATOM 1134 OXT ARG A 76 7.548 -10.567 13.561 1.00 7.11 O ATOM 0 H ARG A 76 6.974 -8.682 9.938 1.00 3.38 H new ATOM 0 HA ARG A 76 7.835 -8.246 12.694 1.00 5.06 H new ATOM 0 HB2 ARG A 76 5.772 -7.210 11.860 1.00 6.08 H new ATOM 0 HB3 ARG A 76 5.149 -8.772 11.369 1.00 6.08 H new ATOM 0 HG2 ARG A 76 5.207 -9.536 13.761 1.00 7.87 H new ATOM 0 HG3 ARG A 76 5.800 -7.958 14.242 1.00 7.87 H new ATOM 0 HD2 ARG A 76 3.208 -8.225 12.680 1.00 8.77 H new ATOM 0 HD3 ARG A 76 3.229 -8.460 14.417 1.00 8.77 H new ATOM 0 HE ARG A 76 3.515 -5.918 12.970 1.00 9.35 H new ATOM 0 HH11 ARG A 76 4.362 -7.592 15.965 1.00 10.63 H new ATOM 0 HH12 ARG A 76 4.259 -6.135 16.960 1.00 10.63 H new ATOM 0 HH21 ARG A 76 3.228 -4.048 14.281 1.00 11.28 H new ATOM 0 HH22 ARG A 76 3.614 -4.122 16.003 1.00 11.28 H new TER 1148 ARG A 76 HETATM 1149 CU CU A 77 -0.891 -4.363 -13.983 1.00 2.08 CU