USER MOD reduce.3.24.130724 H: found=0, std=0, add=987, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 987 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 22 MET CE :methyl -160:sc= -0.171 (180deg=-0.784) USER MOD Set 1.2: A 71 THR OG1 : rot -173:sc= 0 USER MOD Set 2.1: A 58 SER OG : rot -85:sc= 1.1 USER MOD Set 2.2: A 62 GLN :FLIP amide:sc= -0.109 F(o=-1,f=0.99) USER MOD Set 3.1: A 9 MET CE :methyl -177:sc= -0.374 (180deg=-0.394) USER MOD Set 3.2: A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 150:sc= 0.769 (180deg=0.0338!) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HD1:sc= -0.0256 X(o=-0.026,f=-0.027) USER MOD Single : A 5 HIS : no HD1:sc= -0.0886 X(o=-0.089,f=-0.012) USER MOD Single : A 6 HIS : no HD1:sc= -0.297 K(o=-0.3,f=-1.1) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HD1:sc= -0.191 X(o=-0.19,f=-0.033) USER MOD Single : A 15 GLN : amide:sc= -0.0681 X(o=-0.068,f=-0.18) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.04 USER MOD Single : A 17 GLN : amide:sc= -0.0559 X(o=-0.056,f=-0.54) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= 0.25 X(o=0.25,f=-0.18) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot -91:sc= 1.23 USER MOD Single : A 37 SER OG : rot -36:sc= 0.51 USER MOD Single : A 38 CYS SG : rot -87:sc= -3.36! USER MOD Single : A 39 ASN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 41 ASN : amide:sc= -0.484 X(o=-0.48,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN :FLIP amide:sc= -0.355 F(o=-1.1,f=-0.36) USER MOD Single : A 69 GLN : amide:sc= -0.0173 X(o=-0.017,f=-0.015) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 167:sc= 1.12 (180deg=0.961) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 140:sc= -0.148 (180deg=-0.241) USER MOD Single : A 80 ASN : amide:sc= -2.04! C(o=-2!,f=-3.2!) USER MOD Single : A 84 ASN : amide:sc= -1.91 K(o=-1.9,f=-6.4!) USER MOD Single : A 85 GLN : amide:sc= -0.277 X(o=-0.28,f=-0.76) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= -0.149 X(o=-0.15,f=-0.38) USER MOD Single : A 91 TYR OH : rot 180:sc= -0.0891 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 75:sc= 0.593 USER MOD Single : A 101 MET CE :methyl 141:sc= -0.362 (180deg=-2.08) USER MOD Single : A 103 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00727) USER MOD Single : A 104 ASN : amide:sc= -0.0698 K(o=-0.07,f=-6.1!) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 LYS NZ :NH3+ 164:sc= -1.19 (180deg=-1.82!) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ -141:sc= -2.03! (180deg=-4.37!) USER MOD Single : A 121 SER OG : rot -92:sc= 0.322 USER MOD Single : A 124 ASN : amide:sc= -0.697 X(o=-0.7,f=-0.62) USER MOD Single : A 125 ASN : amide:sc= 0.175 K(o=0.18,f=-0.59) USER MOD Single : A 126 ASN : amide:sc= -1.11! C(o=-1.1!,f=-4.1!) USER MOD Single : A 128 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 69.604 -9.017 20.379 1.00 53.24 N ATOM 2 CA MET A 1 68.414 -9.778 19.939 1.00 32.14 C ATOM 3 C MET A 1 67.194 -8.863 19.912 1.00 11.15 C ATOM 4 O MET A 1 67.151 -7.858 20.623 1.00 32.02 O ATOM 5 CB MET A 1 68.158 -10.970 20.876 1.00 64.24 C ATOM 6 CG MET A 1 69.295 -11.984 20.916 1.00 13.13 C ATOM 7 SD MET A 1 70.836 -11.289 21.555 1.00 4.45 S ATOM 8 CE MET A 1 71.917 -12.718 21.472 1.00 60.45 C ATOM 0 H1 MET A 1 70.261 -9.655 20.873 1.00 53.24 H new ATOM 0 H2 MET A 1 70.079 -8.605 19.550 1.00 53.24 H new ATOM 0 H3 MET A 1 69.310 -8.256 21.024 1.00 53.24 H new ATOM 0 HA MET A 1 68.597 -10.161 18.935 1.00 32.14 H new ATOM 0 HB2 MET A 1 67.984 -10.595 21.885 1.00 64.24 H new ATOM 0 HB3 MET A 1 67.245 -11.476 20.562 1.00 64.24 H new ATOM 0 HG2 MET A 1 68.999 -12.830 21.537 1.00 13.13 H new ATOM 0 HG3 MET A 1 69.466 -12.370 19.911 1.00 13.13 H new ATOM 0 HE1 MET A 1 72.908 -12.446 21.835 1.00 60.45 H new ATOM 0 HE2 MET A 1 71.511 -13.518 22.091 1.00 60.45 H new ATOM 0 HE3 MET A 1 71.990 -13.060 20.440 1.00 60.45 H new ATOM 20 N ALA A 2 66.211 -9.209 19.084 1.00 4.21 N ATOM 21 CA ALA A 2 64.971 -8.445 18.998 1.00 73.22 C ATOM 22 C ALA A 2 64.013 -8.891 20.102 1.00 33.43 C ATOM 23 O ALA A 2 63.071 -9.649 19.858 1.00 73.14 O ATOM 24 CB ALA A 2 64.331 -8.603 17.620 1.00 73.11 C ATOM 0 H ALA A 2 66.251 -10.016 18.462 1.00 4.21 H new ATOM 0 HA ALA A 2 65.196 -7.388 19.137 1.00 73.22 H new ATOM 0 HB1 ALA A 2 63.408 -8.025 17.579 1.00 73.11 H new ATOM 0 HB2 ALA A 2 65.019 -8.242 16.856 1.00 73.11 H new ATOM 0 HB3 ALA A 2 64.108 -9.655 17.441 1.00 73.11 H new ATOM 30 N HIS A 3 64.283 -8.431 21.319 1.00 32.44 N ATOM 31 CA HIS A 3 63.533 -8.854 22.497 1.00 31.44 C ATOM 32 C HIS A 3 62.242 -8.051 22.645 1.00 22.35 C ATOM 33 O HIS A 3 62.271 -6.877 23.017 1.00 64.10 O ATOM 34 CB HIS A 3 64.404 -8.687 23.749 1.00 2.23 C ATOM 35 CG HIS A 3 63.750 -9.162 25.012 1.00 73.31 C ATOM 36 ND1 HIS A 3 63.249 -8.308 25.974 1.00 5.33 N ATOM 37 CD2 HIS A 3 63.526 -10.416 25.474 1.00 32.12 C ATOM 38 CE1 HIS A 3 62.747 -9.019 26.969 1.00 0.45 C ATOM 39 NE2 HIS A 3 62.903 -10.298 26.688 1.00 53.41 N ATOM 0 H HIS A 3 65.024 -7.758 21.517 1.00 32.44 H new ATOM 0 HA HIS A 3 63.264 -9.904 22.377 1.00 31.44 H new ATOM 0 HB2 HIS A 3 65.336 -9.233 23.607 1.00 2.23 H new ATOM 0 HB3 HIS A 3 64.665 -7.635 23.860 1.00 2.23 H new ATOM 0 HD2 HIS A 3 63.790 -11.338 24.977 1.00 32.12 H new ATOM 0 HE1 HIS A 3 62.287 -8.620 27.861 1.00 0.45 H new ATOM 0 HE2 HIS A 3 62.607 -11.074 27.280 1.00 53.41 H new ATOM 48 N HIS A 4 61.119 -8.692 22.324 1.00 60.33 N ATOM 49 CA HIS A 4 59.793 -8.092 22.483 1.00 11.33 C ATOM 50 C HIS A 4 59.620 -6.893 21.546 1.00 11.12 C ATOM 51 O HIS A 4 59.642 -5.736 21.973 1.00 73.23 O ATOM 52 CB HIS A 4 59.553 -7.695 23.952 1.00 60.43 C ATOM 53 CG HIS A 4 58.200 -7.094 24.225 1.00 22.14 C ATOM 54 ND1 HIS A 4 58.015 -6.006 25.052 1.00 32.42 N ATOM 55 CD2 HIS A 4 56.965 -7.445 23.792 1.00 12.22 C ATOM 56 CE1 HIS A 4 56.729 -5.718 25.116 1.00 52.02 C ATOM 57 NE2 HIS A 4 56.070 -6.572 24.361 1.00 65.44 N ATOM 0 H HIS A 4 61.101 -9.640 21.947 1.00 60.33 H new ATOM 0 HA HIS A 4 59.043 -8.834 22.209 1.00 11.33 H new ATOM 0 HB2 HIS A 4 59.677 -8.578 24.578 1.00 60.43 H new ATOM 0 HB3 HIS A 4 60.320 -6.981 24.252 1.00 60.43 H new ATOM 0 HD2 HIS A 4 56.728 -8.260 23.124 1.00 12.22 H new ATOM 0 HE1 HIS A 4 56.290 -4.916 25.691 1.00 52.02 H new ATOM 0 HE2 HIS A 4 55.060 -6.583 24.221 1.00 65.44 H new ATOM 66 N HIS A 5 59.493 -7.189 20.256 1.00 14.53 N ATOM 67 CA HIS A 5 59.252 -6.174 19.228 1.00 5.31 C ATOM 68 C HIS A 5 58.309 -6.735 18.164 1.00 3.11 C ATOM 69 O HIS A 5 58.698 -7.597 17.371 1.00 63.50 O ATOM 70 CB HIS A 5 60.565 -5.722 18.564 1.00 44.20 C ATOM 71 CG HIS A 5 61.524 -5.030 19.487 1.00 70.04 C ATOM 72 ND1 HIS A 5 61.360 -3.727 19.906 1.00 12.44 N ATOM 73 CD2 HIS A 5 62.667 -5.465 20.066 1.00 21.21 C ATOM 74 CE1 HIS A 5 62.359 -3.394 20.700 1.00 61.44 C ATOM 75 NE2 HIS A 5 63.166 -4.431 20.814 1.00 42.03 N ATOM 0 H HIS A 5 59.554 -8.139 19.891 1.00 14.53 H new ATOM 0 HA HIS A 5 58.799 -5.307 19.709 1.00 5.31 H new ATOM 0 HB2 HIS A 5 61.059 -6.594 18.135 1.00 44.20 H new ATOM 0 HB3 HIS A 5 60.327 -5.051 17.738 1.00 44.20 H new ATOM 0 HD2 HIS A 5 63.105 -6.446 19.958 1.00 21.21 H new ATOM 0 HE1 HIS A 5 62.494 -2.434 21.176 1.00 61.44 H new ATOM 0 HE2 HIS A 5 64.022 -4.459 21.368 1.00 42.03 H new ATOM 84 N HIS A 6 57.069 -6.264 18.164 1.00 63.41 N ATOM 85 CA HIS A 6 56.073 -6.704 17.190 1.00 0.42 C ATOM 86 C HIS A 6 54.988 -5.640 17.039 1.00 44.44 C ATOM 87 O HIS A 6 54.627 -4.978 18.013 1.00 0.51 O ATOM 88 CB HIS A 6 55.461 -8.039 17.639 1.00 54.33 C ATOM 89 CG HIS A 6 54.507 -8.649 16.654 1.00 32.42 C ATOM 90 ND1 HIS A 6 53.137 -8.562 16.780 1.00 71.43 N ATOM 91 CD2 HIS A 6 54.732 -9.386 15.541 1.00 44.44 C ATOM 92 CE1 HIS A 6 52.562 -9.221 15.792 1.00 44.25 C ATOM 93 NE2 HIS A 6 53.508 -9.728 15.027 1.00 3.24 N ATOM 0 H HIS A 6 56.725 -5.573 18.831 1.00 63.41 H new ATOM 0 HA HIS A 6 56.554 -6.849 16.222 1.00 0.42 H new ATOM 0 HB2 HIS A 6 56.267 -8.747 17.831 1.00 54.33 H new ATOM 0 HB3 HIS A 6 54.939 -7.886 18.584 1.00 54.33 H new ATOM 0 HD2 HIS A 6 55.696 -9.654 15.134 1.00 44.44 H new ATOM 0 HE1 HIS A 6 51.498 -9.327 15.637 1.00 44.25 H new ATOM 0 HE2 HIS A 6 53.354 -10.286 14.187 1.00 3.24 H new ATOM 102 N HIS A 7 54.495 -5.456 15.817 1.00 33.22 N ATOM 103 CA HIS A 7 53.431 -4.486 15.552 1.00 62.23 C ATOM 104 C HIS A 7 52.072 -5.051 15.954 1.00 51.32 C ATOM 105 O HIS A 7 51.843 -6.260 15.880 1.00 11.11 O ATOM 106 CB HIS A 7 53.433 -4.070 14.073 1.00 0.34 C ATOM 107 CG HIS A 7 54.520 -3.094 13.728 1.00 1.51 C ATOM 108 ND1 HIS A 7 54.269 -1.851 13.188 1.00 62.15 N ATOM 109 CD2 HIS A 7 55.868 -3.176 13.856 1.00 55.01 C ATOM 110 CE1 HIS A 7 55.408 -1.214 12.999 1.00 31.22 C ATOM 111 NE2 HIS A 7 56.392 -1.994 13.398 1.00 74.25 N ATOM 0 H HIS A 7 54.814 -5.965 14.993 1.00 33.22 H new ATOM 0 HA HIS A 7 53.620 -3.598 16.155 1.00 62.23 H new ATOM 0 HB2 HIS A 7 53.544 -4.960 13.453 1.00 0.34 H new ATOM 0 HB3 HIS A 7 52.467 -3.629 13.826 1.00 0.34 H new ATOM 0 HD2 HIS A 7 56.425 -4.015 14.246 1.00 55.01 H new ATOM 0 HE1 HIS A 7 55.516 -0.221 12.587 1.00 31.22 H new ATOM 0 HE2 HIS A 7 57.384 -1.757 13.371 1.00 74.25 H new ATOM 120 N HIS A 8 51.177 -4.168 16.383 1.00 51.34 N ATOM 121 CA HIS A 8 49.873 -4.576 16.908 1.00 43.25 C ATOM 122 C HIS A 8 48.762 -4.329 15.891 1.00 73.13 C ATOM 123 O HIS A 8 48.956 -3.624 14.897 1.00 20.32 O ATOM 124 CB HIS A 8 49.562 -3.827 18.216 1.00 13.23 C ATOM 125 CG HIS A 8 49.659 -2.329 18.106 1.00 3.12 C ATOM 126 ND1 HIS A 8 50.615 -1.590 18.768 1.00 22.24 N ATOM 127 CD2 HIS A 8 48.921 -1.432 17.402 1.00 74.31 C ATOM 128 CE1 HIS A 8 50.463 -0.313 18.476 1.00 22.33 C ATOM 129 NE2 HIS A 8 49.443 -0.187 17.648 1.00 22.23 N ATOM 0 H HIS A 8 51.329 -3.159 16.378 1.00 51.34 H new ATOM 0 HA HIS A 8 49.918 -5.646 17.110 1.00 43.25 H new ATOM 0 HB2 HIS A 8 48.557 -4.092 18.543 1.00 13.23 H new ATOM 0 HB3 HIS A 8 50.249 -4.169 18.990 1.00 13.23 H new ATOM 0 HD2 HIS A 8 48.078 -1.657 16.765 1.00 74.31 H new ATOM 0 HE1 HIS A 8 51.072 0.496 18.852 1.00 22.33 H new ATOM 0 HE2 HIS A 8 49.100 0.690 17.256 1.00 22.23 H new ATOM 138 N MET A 9 47.600 -4.922 16.155 1.00 33.14 N ATOM 139 CA MET A 9 46.408 -4.717 15.335 1.00 63.35 C ATOM 140 C MET A 9 45.635 -3.489 15.818 1.00 32.13 C ATOM 141 O MET A 9 46.008 -2.862 16.814 1.00 34.31 O ATOM 142 CB MET A 9 45.515 -5.976 15.369 1.00 0.12 C ATOM 143 CG MET A 9 45.179 -6.473 16.777 1.00 33.21 C ATOM 144 SD MET A 9 44.081 -5.367 17.688 1.00 25.51 S ATOM 145 CE MET A 9 42.538 -5.624 16.818 1.00 60.44 C ATOM 0 H MET A 9 47.458 -5.556 16.941 1.00 33.14 H new ATOM 0 HA MET A 9 46.715 -4.542 14.304 1.00 63.35 H new ATOM 0 HB2 MET A 9 44.586 -5.762 14.841 1.00 0.12 H new ATOM 0 HB3 MET A 9 46.015 -6.776 14.824 1.00 0.12 H new ATOM 0 HG2 MET A 9 44.714 -7.456 16.705 1.00 33.21 H new ATOM 0 HG3 MET A 9 46.104 -6.598 17.340 1.00 33.21 H new ATOM 0 HE1 MET A 9 41.773 -4.967 17.232 1.00 60.44 H new ATOM 0 HE2 MET A 9 42.675 -5.400 15.760 1.00 60.44 H new ATOM 0 HE3 MET A 9 42.225 -6.662 16.931 1.00 60.44 H new ATOM 155 N GLY A 10 44.566 -3.153 15.104 1.00 44.21 N ATOM 156 CA GLY A 10 43.739 -2.012 15.459 1.00 25.31 C ATOM 157 C GLY A 10 42.267 -2.303 15.254 1.00 22.03 C ATOM 158 O GLY A 10 41.913 -3.318 14.650 1.00 2.32 O ATOM 0 H GLY A 10 44.254 -3.658 14.274 1.00 44.21 H new ATOM 0 HA2 GLY A 10 43.916 -1.744 16.501 1.00 25.31 H new ATOM 0 HA3 GLY A 10 44.028 -1.151 14.856 1.00 25.31 H new ATOM 162 N THR A 11 41.407 -1.429 15.757 1.00 64.43 N ATOM 163 CA THR A 11 39.965 -1.603 15.629 1.00 40.12 C ATOM 164 C THR A 11 39.342 -0.382 14.957 1.00 22.31 C ATOM 165 O THR A 11 39.484 0.744 15.441 1.00 62.35 O ATOM 166 CB THR A 11 39.312 -1.827 17.013 1.00 62.42 C ATOM 167 OG1 THR A 11 39.956 -2.927 17.677 1.00 40.12 O ATOM 168 CG2 THR A 11 37.814 -2.108 16.882 1.00 5.24 C ATOM 0 H THR A 11 41.684 -0.587 16.261 1.00 64.43 H new ATOM 0 HA THR A 11 39.785 -2.483 15.012 1.00 40.12 H new ATOM 0 HB THR A 11 39.435 -0.917 17.600 1.00 62.42 H new ATOM 0 HG1 THR A 11 39.543 -3.067 18.554 1.00 40.12 H new ATOM 0 HG21 THR A 11 37.385 -2.261 17.872 1.00 5.24 H new ATOM 0 HG22 THR A 11 37.325 -1.260 16.402 1.00 5.24 H new ATOM 0 HG23 THR A 11 37.663 -3.003 16.279 1.00 5.24 H new ATOM 176 N LEU A 12 38.669 -0.609 13.834 1.00 21.44 N ATOM 177 CA LEU A 12 38.010 0.458 13.091 1.00 51.44 C ATOM 178 C LEU A 12 36.660 -0.046 12.587 1.00 4.10 C ATOM 179 O LEU A 12 36.581 -0.728 11.564 1.00 22.20 O ATOM 180 CB LEU A 12 38.906 0.926 11.921 1.00 2.41 C ATOM 181 CG LEU A 12 38.561 2.295 11.287 1.00 20.33 C ATOM 182 CD1 LEU A 12 37.247 2.249 10.503 1.00 61.35 C ATOM 183 CD2 LEU A 12 38.511 3.385 12.359 1.00 23.42 C ATOM 0 H LEU A 12 38.565 -1.533 13.415 1.00 21.44 H new ATOM 0 HA LEU A 12 37.844 1.316 13.743 1.00 51.44 H new ATOM 0 HB2 LEU A 12 39.936 0.965 12.275 1.00 2.41 H new ATOM 0 HB3 LEU A 12 38.867 0.169 11.138 1.00 2.41 H new ATOM 0 HG LEU A 12 39.353 2.535 10.578 1.00 20.33 H new ATOM 0 HD11 LEU A 12 37.044 3.231 10.075 1.00 61.35 H new ATOM 0 HD12 LEU A 12 37.327 1.514 9.702 1.00 61.35 H new ATOM 0 HD13 LEU A 12 36.433 1.970 11.172 1.00 61.35 H new ATOM 0 HD21 LEU A 12 38.267 4.341 11.895 1.00 23.42 H new ATOM 0 HD22 LEU A 12 37.749 3.135 13.097 1.00 23.42 H new ATOM 0 HD23 LEU A 12 39.481 3.457 12.850 1.00 23.42 H new ATOM 195 N GLU A 13 35.606 0.263 13.331 1.00 41.04 N ATOM 196 CA GLU A 13 34.252 -0.127 12.957 1.00 41.43 C ATOM 197 C GLU A 13 33.543 1.035 12.274 1.00 32.24 C ATOM 198 O GLU A 13 33.340 2.087 12.884 1.00 33.44 O ATOM 199 CB GLU A 13 33.461 -0.576 14.195 1.00 62.22 C ATOM 200 CG GLU A 13 34.023 -1.831 14.851 1.00 50.31 C ATOM 201 CD GLU A 13 34.096 -3.008 13.888 1.00 65.04 C ATOM 202 OE1 GLU A 13 33.032 -3.455 13.405 1.00 50.42 O ATOM 203 OE2 GLU A 13 35.215 -3.487 13.601 1.00 41.22 O ATOM 0 H GLU A 13 35.664 0.787 14.204 1.00 41.04 H new ATOM 0 HA GLU A 13 34.311 -0.964 12.261 1.00 41.43 H new ATOM 0 HB2 GLU A 13 33.453 0.234 14.925 1.00 62.22 H new ATOM 0 HB3 GLU A 13 32.425 -0.758 13.909 1.00 62.22 H new ATOM 0 HG2 GLU A 13 35.020 -1.620 15.238 1.00 50.31 H new ATOM 0 HG3 GLU A 13 33.401 -2.101 15.704 1.00 50.31 H new ATOM 210 N ALA A 14 33.192 0.850 11.006 1.00 60.21 N ATOM 211 CA ALA A 14 32.485 1.869 10.246 1.00 64.53 C ATOM 212 C ALA A 14 31.041 1.985 10.721 1.00 73.25 C ATOM 213 O ALA A 14 30.331 0.979 10.828 1.00 22.20 O ATOM 214 CB ALA A 14 32.539 1.542 8.759 1.00 13.55 C ATOM 0 H ALA A 14 33.388 -0.003 10.482 1.00 60.21 H new ATOM 0 HA ALA A 14 32.973 2.830 10.409 1.00 64.53 H new ATOM 0 HB1 ALA A 14 32.007 2.310 8.198 1.00 13.55 H new ATOM 0 HB2 ALA A 14 33.578 1.507 8.432 1.00 13.55 H new ATOM 0 HB3 ALA A 14 32.071 0.574 8.582 1.00 13.55 H new ATOM 220 N GLN A 15 30.614 3.207 11.014 1.00 53.02 N ATOM 221 CA GLN A 15 29.256 3.465 11.478 1.00 54.14 C ATOM 222 C GLN A 15 28.265 3.306 10.328 1.00 54.02 C ATOM 223 O GLN A 15 28.129 4.197 9.486 1.00 34.40 O ATOM 224 CB GLN A 15 29.158 4.875 12.082 1.00 42.12 C ATOM 225 CG GLN A 15 29.929 5.045 13.388 1.00 64.15 C ATOM 226 CD GLN A 15 29.332 4.233 14.526 1.00 22.24 C ATOM 227 OE1 GLN A 15 29.687 3.073 14.736 1.00 62.10 O ATOM 228 NE2 GLN A 15 28.411 4.834 15.267 1.00 52.23 N ATOM 0 H GLN A 15 31.195 4.042 10.938 1.00 53.02 H new ATOM 0 HA GLN A 15 29.007 2.739 12.252 1.00 54.14 H new ATOM 0 HB2 GLN A 15 29.530 5.597 11.355 1.00 42.12 H new ATOM 0 HB3 GLN A 15 28.109 5.112 12.258 1.00 42.12 H new ATOM 0 HG2 GLN A 15 30.966 4.744 13.236 1.00 64.15 H new ATOM 0 HG3 GLN A 15 29.940 6.099 13.665 1.00 64.15 H new ATOM 0 HE21 GLN A 15 28.141 5.797 15.064 1.00 52.23 H new ATOM 0 HE22 GLN A 15 27.972 4.334 16.040 1.00 52.23 H new ATOM 237 N THR A 16 27.604 2.154 10.284 1.00 73.25 N ATOM 238 CA THR A 16 26.588 1.881 9.281 1.00 61.12 C ATOM 239 C THR A 16 25.251 2.485 9.703 1.00 74.51 C ATOM 240 O THR A 16 24.902 2.476 10.888 1.00 21.14 O ATOM 241 CB THR A 16 26.443 0.360 9.044 1.00 64.41 C ATOM 242 OG1 THR A 16 26.509 -0.341 10.297 1.00 33.04 O ATOM 243 CG2 THR A 16 27.535 -0.151 8.109 1.00 72.43 C ATOM 0 H THR A 16 27.758 1.389 10.940 1.00 73.25 H new ATOM 0 HA THR A 16 26.900 2.342 8.344 1.00 61.12 H new ATOM 0 HB THR A 16 25.475 0.178 8.577 1.00 64.41 H new ATOM 0 HG1 THR A 16 26.415 -1.304 10.139 1.00 33.04 H new ATOM 0 HG21 THR A 16 27.412 -1.223 7.958 1.00 72.43 H new ATOM 0 HG22 THR A 16 27.462 0.362 7.150 1.00 72.43 H new ATOM 0 HG23 THR A 16 28.512 0.043 8.551 1.00 72.43 H new ATOM 251 N GLN A 17 24.516 3.021 8.737 1.00 71.30 N ATOM 252 CA GLN A 17 23.276 3.735 9.017 1.00 54.01 C ATOM 253 C GLN A 17 22.100 2.772 9.184 1.00 11.52 C ATOM 254 O GLN A 17 21.843 1.925 8.321 1.00 70.24 O ATOM 255 CB GLN A 17 22.980 4.744 7.897 1.00 73.12 C ATOM 256 CG GLN A 17 21.716 5.573 8.124 1.00 5.00 C ATOM 257 CD GLN A 17 21.753 6.372 9.419 1.00 21.33 C ATOM 258 OE1 GLN A 17 22.818 6.788 9.884 1.00 11.24 O ATOM 259 NE2 GLN A 17 20.590 6.593 10.009 1.00 30.31 N ATOM 0 H GLN A 17 24.759 2.974 7.747 1.00 71.30 H new ATOM 0 HA GLN A 17 23.405 4.271 9.957 1.00 54.01 H new ATOM 0 HB2 GLN A 17 23.831 5.418 7.795 1.00 73.12 H new ATOM 0 HB3 GLN A 17 22.885 4.206 6.954 1.00 73.12 H new ATOM 0 HG2 GLN A 17 21.581 6.256 7.286 1.00 5.00 H new ATOM 0 HG3 GLN A 17 20.851 4.910 8.137 1.00 5.00 H new ATOM 0 HE21 GLN A 17 19.731 6.233 9.594 1.00 30.31 H new ATOM 0 HE22 GLN A 17 20.552 7.124 10.879 1.00 30.31 H new ATOM 268 N GLY A 18 21.403 2.905 10.305 1.00 4.03 N ATOM 269 CA GLY A 18 20.174 2.171 10.527 1.00 35.31 C ATOM 270 C GLY A 18 18.971 3.003 10.127 1.00 23.43 C ATOM 271 O GLY A 18 18.801 4.116 10.631 1.00 74.23 O ATOM 0 H GLY A 18 21.673 3.518 11.074 1.00 4.03 H new ATOM 0 HA2 GLY A 18 20.189 1.245 9.952 1.00 35.31 H new ATOM 0 HA3 GLY A 18 20.096 1.892 11.578 1.00 35.31 H new ATOM 275 N PRO A 19 18.120 2.502 9.215 1.00 22.13 N ATOM 276 CA PRO A 19 16.983 3.267 8.695 1.00 22.11 C ATOM 277 C PRO A 19 15.800 3.294 9.663 1.00 41.24 C ATOM 278 O PRO A 19 15.758 2.530 10.635 1.00 60.43 O ATOM 279 CB PRO A 19 16.624 2.500 7.418 1.00 14.30 C ATOM 280 CG PRO A 19 16.956 1.087 7.747 1.00 53.32 C ATOM 281 CD PRO A 19 18.187 1.148 8.621 1.00 42.33 C ATOM 0 HA PRO A 19 17.226 4.317 8.533 1.00 22.11 H new ATOM 0 HB2 PRO A 19 15.570 2.615 7.165 1.00 14.30 H new ATOM 0 HB3 PRO A 19 17.197 2.857 6.562 1.00 14.30 H new ATOM 0 HG2 PRO A 19 16.130 0.602 8.267 1.00 53.32 H new ATOM 0 HG3 PRO A 19 17.146 0.509 6.843 1.00 53.32 H new ATOM 0 HD2 PRO A 19 18.175 0.372 9.387 1.00 42.33 H new ATOM 0 HD3 PRO A 19 19.099 1.009 8.041 1.00 42.33 H new ATOM 289 N GLY A 20 14.854 4.187 9.396 1.00 32.23 N ATOM 290 CA GLY A 20 13.644 4.272 10.191 1.00 44.30 C ATOM 291 C GLY A 20 12.429 3.799 9.416 1.00 2.02 C ATOM 292 O GLY A 20 12.445 3.786 8.180 1.00 0.55 O ATOM 0 H GLY A 20 14.906 4.862 8.633 1.00 32.23 H new ATOM 0 HA2 GLY A 20 13.758 3.670 11.092 1.00 44.30 H new ATOM 0 HA3 GLY A 20 13.492 5.302 10.513 1.00 44.30 H new ATOM 296 N SER A 21 11.375 3.429 10.137 1.00 61.22 N ATOM 297 CA SER A 21 10.168 2.879 9.527 1.00 35.44 C ATOM 298 C SER A 21 9.490 3.886 8.593 1.00 33.34 C ATOM 299 O SER A 21 9.126 4.993 9.003 1.00 34.13 O ATOM 300 CB SER A 21 9.196 2.416 10.619 1.00 32.32 C ATOM 301 OG SER A 21 9.787 1.404 11.423 1.00 31.52 O ATOM 0 H SER A 21 11.333 3.501 11.154 1.00 61.22 H new ATOM 0 HA SER A 21 10.460 2.023 8.919 1.00 35.44 H new ATOM 0 HB2 SER A 21 8.912 3.263 11.243 1.00 32.32 H new ATOM 0 HB3 SER A 21 8.282 2.037 10.162 1.00 32.32 H new ATOM 0 HG SER A 21 9.152 1.123 12.115 1.00 31.52 H new ATOM 307 N MET A 22 9.352 3.495 7.329 1.00 73.11 N ATOM 308 CA MET A 22 8.655 4.293 6.322 1.00 1.02 C ATOM 309 C MET A 22 7.194 3.864 6.230 1.00 21.53 C ATOM 310 O MET A 22 6.320 4.671 5.903 1.00 54.55 O ATOM 311 CB MET A 22 9.321 4.127 4.945 1.00 61.15 C ATOM 312 CG MET A 22 10.761 4.611 4.891 1.00 10.12 C ATOM 313 SD MET A 22 10.914 6.397 5.099 1.00 14.21 S ATOM 314 CE MET A 22 9.986 6.985 3.681 1.00 55.02 C ATOM 0 H MET A 22 9.721 2.614 6.972 1.00 73.11 H new ATOM 0 HA MET A 22 8.709 5.340 6.620 1.00 1.02 H new ATOM 0 HB2 MET A 22 9.292 3.074 4.663 1.00 61.15 H new ATOM 0 HB3 MET A 22 8.738 4.672 4.203 1.00 61.15 H new ATOM 0 HG2 MET A 22 11.336 4.110 5.669 1.00 10.12 H new ATOM 0 HG3 MET A 22 11.199 4.323 3.935 1.00 10.12 H new ATOM 0 HE1 MET A 22 10.271 8.014 3.461 1.00 55.02 H new ATOM 0 HE2 MET A 22 10.203 6.356 2.818 1.00 55.02 H new ATOM 0 HE3 MET A 22 8.919 6.943 3.902 1.00 55.02 H new ATOM 324 N ILE A 23 6.942 2.581 6.500 1.00 1.11 N ATOM 325 CA ILE A 23 5.587 2.035 6.475 1.00 11.15 C ATOM 326 C ILE A 23 4.698 2.794 7.461 1.00 2.22 C ATOM 327 O ILE A 23 4.842 2.652 8.680 1.00 71.32 O ATOM 328 CB ILE A 23 5.559 0.521 6.828 1.00 50.23 C ATOM 329 CG1 ILE A 23 6.613 -0.261 6.023 1.00 63.34 C ATOM 330 CG2 ILE A 23 4.171 -0.062 6.580 1.00 55.04 C ATOM 331 CD1 ILE A 23 6.454 -0.166 4.519 1.00 15.55 C ATOM 0 H ILE A 23 7.663 1.900 6.739 1.00 1.11 H new ATOM 0 HA ILE A 23 5.212 2.154 5.458 1.00 11.15 H new ATOM 0 HB ILE A 23 5.799 0.424 7.887 1.00 50.23 H new ATOM 0 HG12 ILE A 23 7.603 0.104 6.295 1.00 63.34 H new ATOM 0 HG13 ILE A 23 6.569 -1.310 6.315 1.00 63.34 H new ATOM 0 HG21 ILE A 23 4.171 -1.122 6.833 1.00 55.04 H new ATOM 0 HG22 ILE A 23 3.441 0.459 7.200 1.00 55.04 H new ATOM 0 HG23 ILE A 23 3.907 0.061 5.530 1.00 55.04 H new ATOM 0 HD11 ILE A 23 7.238 -0.746 4.033 1.00 15.55 H new ATOM 0 HD12 ILE A 23 5.479 -0.560 4.231 1.00 15.55 H new ATOM 0 HD13 ILE A 23 6.530 0.877 4.210 1.00 15.55 H new ATOM 343 N GLU A 24 3.799 3.613 6.927 1.00 24.31 N ATOM 344 CA GLU A 24 2.937 4.456 7.748 1.00 33.44 C ATOM 345 C GLU A 24 1.838 3.614 8.395 1.00 15.03 C ATOM 346 O GLU A 24 1.300 2.708 7.769 1.00 33.30 O ATOM 347 CB GLU A 24 2.321 5.562 6.883 1.00 33.23 C ATOM 348 CG GLU A 24 1.764 6.740 7.675 1.00 60.14 C ATOM 349 CD GLU A 24 2.854 7.522 8.391 1.00 15.53 C ATOM 350 OE1 GLU A 24 3.673 8.167 7.703 1.00 4.34 O ATOM 351 OE2 GLU A 24 2.892 7.502 9.640 1.00 41.42 O ATOM 0 H GLU A 24 3.648 3.711 5.923 1.00 24.31 H new ATOM 0 HA GLU A 24 3.532 4.914 8.538 1.00 33.44 H new ATOM 0 HB2 GLU A 24 3.078 5.930 6.191 1.00 33.23 H new ATOM 0 HB3 GLU A 24 1.520 5.133 6.281 1.00 33.23 H new ATOM 0 HG2 GLU A 24 1.226 7.406 7.001 1.00 60.14 H new ATOM 0 HG3 GLU A 24 1.042 6.375 8.406 1.00 60.14 H new ATOM 358 N GLN A 25 1.510 3.917 9.648 1.00 11.20 N ATOM 359 CA GLN A 25 0.488 3.171 10.387 1.00 65.24 C ATOM 360 C GLN A 25 -0.764 4.028 10.573 1.00 4.40 C ATOM 361 O GLN A 25 -0.690 5.124 11.136 1.00 53.42 O ATOM 362 CB GLN A 25 1.041 2.730 11.748 1.00 51.25 C ATOM 363 CG GLN A 25 2.266 1.825 11.646 1.00 13.23 C ATOM 364 CD GLN A 25 2.819 1.413 13.001 1.00 45.14 C ATOM 365 OE1 GLN A 25 2.084 1.295 13.982 1.00 22.13 O ATOM 366 NE2 GLN A 25 4.126 1.210 13.067 1.00 21.22 N ATOM 0 H GLN A 25 1.938 4.677 10.177 1.00 11.20 H new ATOM 0 HA GLN A 25 0.217 2.284 9.815 1.00 65.24 H new ATOM 0 HB2 GLN A 25 1.301 3.615 12.329 1.00 51.25 H new ATOM 0 HB3 GLN A 25 0.258 2.207 12.297 1.00 51.25 H new ATOM 0 HG2 GLN A 25 2.003 0.931 11.081 1.00 13.23 H new ATOM 0 HG3 GLN A 25 3.045 2.340 11.084 1.00 13.23 H new ATOM 0 HE21 GLN A 25 4.702 1.318 12.232 1.00 21.22 H new ATOM 0 HE22 GLN A 25 4.557 0.946 13.953 1.00 21.22 H new ATOM 375 N ILE A 26 -1.910 3.534 10.096 1.00 4.23 N ATOM 376 CA ILE A 26 -3.169 4.288 10.157 1.00 35.21 C ATOM 377 C ILE A 26 -4.366 3.362 10.387 1.00 70.02 C ATOM 378 O ILE A 26 -4.212 2.144 10.498 1.00 20.22 O ATOM 379 CB ILE A 26 -3.428 5.099 8.856 1.00 32.30 C ATOM 380 CG1 ILE A 26 -3.506 4.161 7.638 1.00 11.24 C ATOM 381 CG2 ILE A 26 -2.357 6.169 8.649 1.00 63.25 C ATOM 382 CD1 ILE A 26 -3.958 4.849 6.367 1.00 64.21 C ATOM 0 H ILE A 26 -1.994 2.614 9.663 1.00 4.23 H new ATOM 0 HA ILE A 26 -3.064 4.976 10.996 1.00 35.21 H new ATOM 0 HB ILE A 26 -4.388 5.605 8.962 1.00 32.30 H new ATOM 0 HG12 ILE A 26 -2.525 3.716 7.470 1.00 11.24 H new ATOM 0 HG13 ILE A 26 -4.193 3.345 7.863 1.00 11.24 H new ATOM 0 HG21 ILE A 26 -2.565 6.719 7.731 1.00 63.25 H new ATOM 0 HG22 ILE A 26 -2.362 6.857 9.494 1.00 63.25 H new ATOM 0 HG23 ILE A 26 -1.379 5.695 8.573 1.00 63.25 H new ATOM 0 HD11 ILE A 26 -3.989 4.125 5.553 1.00 64.21 H new ATOM 0 HD12 ILE A 26 -4.952 5.271 6.515 1.00 64.21 H new ATOM 0 HD13 ILE A 26 -3.259 5.647 6.117 1.00 64.21 H new ATOM 394 N GLY A 27 -5.554 3.962 10.457 1.00 51.10 N ATOM 395 CA GLY A 27 -6.792 3.205 10.574 1.00 12.24 C ATOM 396 C GLY A 27 -7.782 3.587 9.484 1.00 63.44 C ATOM 397 O GLY A 27 -7.408 4.250 8.516 1.00 31.12 O ATOM 0 H GLY A 27 -5.681 4.974 10.434 1.00 51.10 H new ATOM 0 HA2 GLY A 27 -6.575 2.139 10.513 1.00 12.24 H new ATOM 0 HA3 GLY A 27 -7.239 3.384 11.552 1.00 12.24 H new ATOM 401 N ASP A 28 -9.045 3.188 9.647 1.00 54.11 N ATOM 402 CA ASP A 28 -10.079 3.439 8.634 1.00 51.44 C ATOM 403 C ASP A 28 -10.415 4.923 8.554 1.00 4.35 C ATOM 404 O ASP A 28 -10.498 5.492 7.464 1.00 1.31 O ATOM 405 CB ASP A 28 -11.355 2.636 8.930 1.00 52.12 C ATOM 406 CG ASP A 28 -12.482 2.955 7.953 1.00 4.34 C ATOM 407 OD1 ASP A 28 -12.422 2.501 6.789 1.00 44.41 O ATOM 408 OD2 ASP A 28 -13.433 3.668 8.338 1.00 33.22 O ATOM 0 H ASP A 28 -9.379 2.689 10.471 1.00 54.11 H new ATOM 0 HA ASP A 28 -9.677 3.114 7.674 1.00 51.44 H new ATOM 0 HB2 ASP A 28 -11.129 1.571 8.885 1.00 52.12 H new ATOM 0 HB3 ASP A 28 -11.687 2.849 9.946 1.00 52.12 H new ATOM 413 N SER A 29 -10.596 5.542 9.718 1.00 5.33 N ATOM 414 CA SER A 29 -10.906 6.964 9.793 1.00 62.32 C ATOM 415 C SER A 29 -9.786 7.776 9.142 1.00 75.42 C ATOM 416 O SER A 29 -10.015 8.857 8.601 1.00 62.31 O ATOM 417 CB SER A 29 -11.105 7.383 11.260 1.00 12.14 C ATOM 418 OG SER A 29 -11.514 8.737 11.372 1.00 22.34 O ATOM 0 H SER A 29 -10.533 5.078 10.624 1.00 5.33 H new ATOM 0 HA SER A 29 -11.832 7.160 9.252 1.00 62.32 H new ATOM 0 HB2 SER A 29 -11.852 6.739 11.724 1.00 12.14 H new ATOM 0 HB3 SER A 29 -10.174 7.238 11.809 1.00 12.14 H new ATOM 0 HG SER A 29 -11.632 8.966 12.318 1.00 22.34 H new ATOM 424 N GLU A 30 -8.568 7.241 9.199 1.00 23.41 N ATOM 425 CA GLU A 30 -7.419 7.876 8.564 1.00 4.15 C ATOM 426 C GLU A 30 -7.314 7.461 7.097 1.00 33.40 C ATOM 427 O GLU A 30 -6.873 8.241 6.262 1.00 71.21 O ATOM 428 CB GLU A 30 -6.123 7.495 9.294 1.00 3.33 C ATOM 429 CG GLU A 30 -6.118 7.827 10.780 1.00 24.13 C ATOM 430 CD GLU A 30 -6.262 9.315 11.055 1.00 3.33 C ATOM 431 OE1 GLU A 30 -5.231 10.015 11.102 1.00 10.12 O ATOM 432 OE2 GLU A 30 -7.404 9.788 11.235 1.00 53.12 O ATOM 0 H GLU A 30 -8.353 6.368 9.680 1.00 23.41 H new ATOM 0 HA GLU A 30 -7.560 8.955 8.619 1.00 4.15 H new ATOM 0 HB2 GLU A 30 -5.953 6.425 9.172 1.00 3.33 H new ATOM 0 HB3 GLU A 30 -5.287 8.007 8.817 1.00 3.33 H new ATOM 0 HG2 GLU A 30 -6.932 7.292 11.269 1.00 24.13 H new ATOM 0 HG3 GLU A 30 -5.189 7.469 11.224 1.00 24.13 H new ATOM 439 N PHE A 31 -7.740 6.234 6.800 1.00 64.12 N ATOM 440 CA PHE A 31 -7.536 5.616 5.486 1.00 64.00 C ATOM 441 C PHE A 31 -7.923 6.549 4.338 1.00 62.52 C ATOM 442 O PHE A 31 -7.072 6.929 3.528 1.00 42.00 O ATOM 443 CB PHE A 31 -8.328 4.303 5.397 1.00 74.31 C ATOM 444 CG PHE A 31 -8.197 3.585 4.075 1.00 32.33 C ATOM 445 CD1 PHE A 31 -7.016 2.942 3.734 1.00 73.53 C ATOM 446 CD2 PHE A 31 -9.258 3.548 3.180 1.00 4.44 C ATOM 447 CE1 PHE A 31 -6.898 2.279 2.528 1.00 24.42 C ATOM 448 CE2 PHE A 31 -9.142 2.887 1.974 1.00 20.32 C ATOM 449 CZ PHE A 31 -7.960 2.252 1.648 1.00 43.24 C ATOM 0 H PHE A 31 -8.237 5.638 7.462 1.00 64.12 H new ATOM 0 HA PHE A 31 -6.471 5.409 5.383 1.00 64.00 H new ATOM 0 HB2 PHE A 31 -7.995 3.637 6.193 1.00 74.31 H new ATOM 0 HB3 PHE A 31 -9.382 4.515 5.579 1.00 74.31 H new ATOM 0 HD1 PHE A 31 -6.181 2.960 4.418 1.00 73.53 H new ATOM 0 HD2 PHE A 31 -10.185 4.042 3.431 1.00 4.44 H new ATOM 0 HE1 PHE A 31 -5.974 1.781 2.274 1.00 24.42 H new ATOM 0 HE2 PHE A 31 -9.974 2.866 1.286 1.00 20.32 H new ATOM 0 HZ PHE A 31 -7.867 1.735 0.705 1.00 43.24 H new ATOM 459 N ASP A 32 -9.193 6.940 4.284 1.00 14.34 N ATOM 460 CA ASP A 32 -9.691 7.766 3.183 1.00 51.21 C ATOM 461 C ASP A 32 -8.950 9.092 3.138 1.00 63.13 C ATOM 462 O ASP A 32 -8.560 9.552 2.073 1.00 4.42 O ATOM 463 CB ASP A 32 -11.194 8.023 3.318 1.00 62.03 C ATOM 464 CG ASP A 32 -11.528 9.006 4.432 1.00 24.32 C ATOM 465 OD1 ASP A 32 -11.267 8.687 5.611 1.00 42.31 O ATOM 466 OD2 ASP A 32 -12.021 10.117 4.127 1.00 64.50 O ATOM 0 H ASP A 32 -9.895 6.701 4.985 1.00 14.34 H new ATOM 0 HA ASP A 32 -9.515 7.221 2.255 1.00 51.21 H new ATOM 0 HB2 ASP A 32 -11.578 8.408 2.373 1.00 62.03 H new ATOM 0 HB3 ASP A 32 -11.704 7.078 3.509 1.00 62.03 H new ATOM 471 N ASN A 33 -8.754 9.692 4.303 1.00 5.51 N ATOM 472 CA ASN A 33 -8.064 10.973 4.408 1.00 25.01 C ATOM 473 C ASN A 33 -6.667 10.875 3.808 1.00 41.10 C ATOM 474 O ASN A 33 -6.315 11.631 2.903 1.00 43.14 O ATOM 475 CB ASN A 33 -7.983 11.421 5.878 1.00 51.41 C ATOM 476 CG ASN A 33 -9.326 11.891 6.422 1.00 12.34 C ATOM 477 OD1 ASN A 33 -9.673 13.068 6.323 1.00 75.32 O ATOM 478 ND2 ASN A 33 -10.100 10.978 6.988 1.00 74.21 N ATOM 0 H ASN A 33 -9.065 9.310 5.196 1.00 5.51 H new ATOM 0 HA ASN A 33 -8.631 11.717 3.849 1.00 25.01 H new ATOM 0 HB2 ASN A 33 -7.618 10.594 6.487 1.00 51.41 H new ATOM 0 HB3 ASN A 33 -7.256 12.228 5.968 1.00 51.41 H new ATOM 0 HD21 ASN A 33 -11.013 11.242 7.358 1.00 74.21 H new ATOM 0 HD22 ASN A 33 -9.783 10.011 7.054 1.00 74.21 H new ATOM 485 N LYS A 34 -5.901 9.902 4.286 1.00 54.01 N ATOM 486 CA LYS A 34 -4.516 9.716 3.869 1.00 4.54 C ATOM 487 C LYS A 34 -4.426 9.448 2.369 1.00 42.13 C ATOM 488 O LYS A 34 -3.549 9.981 1.691 1.00 11.54 O ATOM 489 CB LYS A 34 -3.882 8.564 4.660 1.00 61.41 C ATOM 490 CG LYS A 34 -3.879 8.790 6.171 1.00 60.32 C ATOM 491 CD LYS A 34 -3.053 10.012 6.561 1.00 34.32 C ATOM 492 CE LYS A 34 -2.998 10.202 8.072 1.00 63.11 C ATOM 493 NZ LYS A 34 -2.276 11.445 8.451 1.00 14.34 N ATOM 0 H LYS A 34 -6.222 9.220 4.973 1.00 54.01 H new ATOM 0 HA LYS A 34 -3.967 10.634 4.077 1.00 4.54 H new ATOM 0 HB2 LYS A 34 -4.421 7.643 4.440 1.00 61.41 H new ATOM 0 HB3 LYS A 34 -2.856 8.422 4.320 1.00 61.41 H new ATOM 0 HG2 LYS A 34 -4.903 8.917 6.521 1.00 60.32 H new ATOM 0 HG3 LYS A 34 -3.479 7.907 6.670 1.00 60.32 H new ATOM 0 HD2 LYS A 34 -2.041 9.905 6.171 1.00 34.32 H new ATOM 0 HD3 LYS A 34 -3.480 10.902 6.099 1.00 34.32 H new ATOM 0 HE2 LYS A 34 -4.012 10.236 8.470 1.00 63.11 H new ATOM 0 HE3 LYS A 34 -2.505 9.343 8.528 1.00 63.11 H new ATOM 0 HZ1 LYS A 34 -2.262 11.536 9.487 1.00 14.34 H new ATOM 0 HZ2 LYS A 34 -1.300 11.402 8.094 1.00 14.34 H new ATOM 0 HZ3 LYS A 34 -2.760 12.267 8.038 1.00 14.34 H new ATOM 507 N VAL A 35 -5.342 8.630 1.856 1.00 15.44 N ATOM 508 CA VAL A 35 -5.373 8.317 0.430 1.00 25.01 C ATOM 509 C VAL A 35 -5.758 9.552 -0.386 1.00 61.31 C ATOM 510 O VAL A 35 -5.046 9.942 -1.311 1.00 34.40 O ATOM 511 CB VAL A 35 -6.349 7.152 0.121 1.00 54.53 C ATOM 512 CG1 VAL A 35 -6.441 6.894 -1.385 1.00 31.21 C ATOM 513 CG2 VAL A 35 -5.916 5.884 0.857 1.00 54.31 C ATOM 0 H VAL A 35 -6.070 8.173 2.405 1.00 15.44 H new ATOM 0 HA VAL A 35 -4.369 8.001 0.145 1.00 25.01 H new ATOM 0 HB VAL A 35 -7.340 7.439 0.473 1.00 54.53 H new ATOM 0 HG11 VAL A 35 -7.132 6.072 -1.572 1.00 31.21 H new ATOM 0 HG12 VAL A 35 -6.801 7.792 -1.887 1.00 31.21 H new ATOM 0 HG13 VAL A 35 -5.455 6.634 -1.770 1.00 31.21 H new ATOM 0 HG21 VAL A 35 -6.611 5.076 0.630 1.00 54.31 H new ATOM 0 HG22 VAL A 35 -4.913 5.601 0.536 1.00 54.31 H new ATOM 0 HG23 VAL A 35 -5.914 6.069 1.931 1.00 54.31 H new ATOM 523 N THR A 36 -6.880 10.176 -0.027 1.00 0.43 N ATOM 524 CA THR A 36 -7.358 11.368 -0.733 1.00 63.43 C ATOM 525 C THR A 36 -6.400 12.554 -0.560 1.00 52.21 C ATOM 526 O THR A 36 -6.435 13.507 -1.340 1.00 0.32 O ATOM 527 CB THR A 36 -8.779 11.777 -0.263 1.00 21.24 C ATOM 528 OG1 THR A 36 -8.802 11.974 1.160 1.00 25.13 O ATOM 529 CG2 THR A 36 -9.807 10.715 -0.646 1.00 23.23 C ATOM 0 H THR A 36 -7.475 9.878 0.746 1.00 0.43 H new ATOM 0 HA THR A 36 -7.399 11.105 -1.790 1.00 63.43 H new ATOM 0 HB THR A 36 -9.037 12.712 -0.760 1.00 21.24 H new ATOM 0 HG1 THR A 36 -9.037 11.132 1.603 1.00 25.13 H new ATOM 0 HG21 THR A 36 -10.795 11.025 -0.305 1.00 23.23 H new ATOM 0 HG22 THR A 36 -9.818 10.593 -1.729 1.00 23.23 H new ATOM 0 HG23 THR A 36 -9.543 9.767 -0.177 1.00 23.23 H new ATOM 537 N SER A 37 -5.539 12.484 0.457 1.00 42.04 N ATOM 538 CA SER A 37 -4.579 13.552 0.736 1.00 43.02 C ATOM 539 C SER A 37 -3.397 13.505 -0.238 1.00 63.32 C ATOM 540 O SER A 37 -2.446 14.282 -0.108 1.00 52.13 O ATOM 541 CB SER A 37 -4.079 13.450 2.187 1.00 2.30 C ATOM 542 OG SER A 37 -3.264 14.558 2.542 1.00 63.53 O ATOM 0 H SER A 37 -5.488 11.696 1.103 1.00 42.04 H new ATOM 0 HA SER A 37 -5.087 14.507 0.601 1.00 43.02 H new ATOM 0 HB2 SER A 37 -4.932 13.395 2.863 1.00 2.30 H new ATOM 0 HB3 SER A 37 -3.513 12.527 2.313 1.00 2.30 H new ATOM 0 HG SER A 37 -2.723 14.826 1.770 1.00 63.53 H new ATOM 548 N CYS A 38 -3.445 12.586 -1.200 1.00 1.40 N ATOM 549 CA CYS A 38 -2.425 12.509 -2.238 1.00 21.03 C ATOM 550 C CYS A 38 -2.424 13.797 -3.065 1.00 43.10 C ATOM 551 O CYS A 38 -3.395 14.088 -3.767 1.00 64.02 O ATOM 552 CB CYS A 38 -2.677 11.298 -3.141 1.00 75.32 C ATOM 553 SG CYS A 38 -4.307 11.295 -3.921 1.00 72.45 S ATOM 0 H CYS A 38 -4.181 11.884 -1.280 1.00 1.40 H new ATOM 0 HA CYS A 38 -1.449 12.392 -1.766 1.00 21.03 H new ATOM 0 HB2 CYS A 38 -1.913 11.271 -3.918 1.00 75.32 H new ATOM 0 HB3 CYS A 38 -2.565 10.388 -2.552 1.00 75.32 H new ATOM 0 HG CYS A 38 -5.169 10.739 -3.123 1.00 72.45 H new ATOM 559 N ASN A 39 -1.337 14.565 -2.964 1.00 14.41 N ATOM 560 CA ASN A 39 -1.227 15.861 -3.643 1.00 74.52 C ATOM 561 C ASN A 39 -1.526 15.734 -5.137 1.00 20.51 C ATOM 562 O ASN A 39 -2.502 16.300 -5.635 1.00 61.24 O ATOM 563 CB ASN A 39 0.170 16.467 -3.433 1.00 73.13 C ATOM 564 CG ASN A 39 0.331 17.825 -4.104 1.00 11.25 C ATOM 565 OD1 ASN A 39 -0.638 18.565 -4.280 1.00 32.44 O ATOM 566 ND2 ASN A 39 1.556 18.167 -4.470 1.00 21.10 N ATOM 0 H ASN A 39 -0.515 14.311 -2.416 1.00 14.41 H new ATOM 0 HA ASN A 39 -1.970 16.527 -3.203 1.00 74.52 H new ATOM 0 HB2 ASN A 39 0.360 16.570 -2.365 1.00 73.13 H new ATOM 0 HB3 ASN A 39 0.921 15.782 -3.825 1.00 73.13 H new ATOM 0 HD21 ASN A 39 1.722 19.070 -4.914 1.00 21.10 H new ATOM 0 HD22 ASN A 39 2.334 17.528 -4.308 1.00 21.10 H new ATOM 573 N ASP A 40 -0.686 14.987 -5.850 1.00 25.44 N ATOM 574 CA ASP A 40 -0.864 14.795 -7.288 1.00 54.44 C ATOM 575 C ASP A 40 -0.186 13.507 -7.746 1.00 34.34 C ATOM 576 O ASP A 40 1.016 13.333 -7.555 1.00 3.40 O ATOM 577 CB ASP A 40 -0.290 15.993 -8.060 1.00 61.25 C ATOM 578 CG ASP A 40 -0.408 15.833 -9.569 1.00 13.20 C ATOM 579 OD1 ASP A 40 -1.509 16.059 -10.114 1.00 75.21 O ATOM 580 OD2 ASP A 40 0.595 15.476 -10.221 1.00 25.44 O ATOM 0 H ASP A 40 0.123 14.506 -5.457 1.00 25.44 H new ATOM 0 HA ASP A 40 -1.932 14.719 -7.494 1.00 54.44 H new ATOM 0 HB2 ASP A 40 -0.811 16.900 -7.754 1.00 61.25 H new ATOM 0 HB3 ASP A 40 0.759 16.122 -7.794 1.00 61.25 H new ATOM 585 N ASN A 41 -0.977 12.606 -8.337 1.00 14.12 N ATOM 586 CA ASN A 41 -0.478 11.344 -8.908 1.00 73.21 C ATOM 587 C ASN A 41 0.417 10.563 -7.940 1.00 34.12 C ATOM 588 O ASN A 41 1.228 9.741 -8.365 1.00 11.24 O ATOM 589 CB ASN A 41 0.267 11.604 -10.229 1.00 50.14 C ATOM 590 CG ASN A 41 -0.671 12.000 -11.358 1.00 41.41 C ATOM 591 OD1 ASN A 41 -1.202 11.144 -12.068 1.00 21.13 O ATOM 592 ND2 ASN A 41 -0.878 13.293 -11.541 1.00 50.15 N ATOM 0 H ASN A 41 -1.985 12.729 -8.435 1.00 14.12 H new ATOM 0 HA ASN A 41 -1.353 10.724 -9.101 1.00 73.21 H new ATOM 0 HB2 ASN A 41 1.003 12.394 -10.078 1.00 50.14 H new ATOM 0 HB3 ASN A 41 0.817 10.707 -10.515 1.00 50.14 H new ATOM 0 HD21 ASN A 41 -1.494 13.610 -12.289 1.00 50.15 H new ATOM 0 HD22 ASN A 41 -0.421 13.974 -10.934 1.00 50.15 H new ATOM 599 N ILE A 42 0.239 10.792 -6.642 1.00 33.13 N ATOM 600 CA ILE A 42 1.024 10.092 -5.626 1.00 4.13 C ATOM 601 C ILE A 42 0.559 8.642 -5.502 1.00 1.30 C ATOM 602 O ILE A 42 -0.639 8.377 -5.344 1.00 22.03 O ATOM 603 CB ILE A 42 0.927 10.786 -4.241 1.00 54.40 C ATOM 604 CG1 ILE A 42 1.411 12.246 -4.330 1.00 54.32 C ATOM 605 CG2 ILE A 42 1.729 10.016 -3.187 1.00 22.32 C ATOM 606 CD1 ILE A 42 2.852 12.392 -4.784 1.00 35.55 C ATOM 0 H ILE A 42 -0.440 11.455 -6.268 1.00 33.13 H new ATOM 0 HA ILE A 42 2.065 10.119 -5.947 1.00 4.13 H new ATOM 0 HB ILE A 42 -0.120 10.788 -3.936 1.00 54.40 H new ATOM 0 HG12 ILE A 42 0.766 12.790 -5.020 1.00 54.32 H new ATOM 0 HG13 ILE A 42 1.299 12.715 -3.353 1.00 54.32 H new ATOM 0 HG21 ILE A 42 1.646 10.522 -2.225 1.00 22.32 H new ATOM 0 HG22 ILE A 42 1.336 9.003 -3.099 1.00 22.32 H new ATOM 0 HG23 ILE A 42 2.777 9.975 -3.485 1.00 22.32 H new ATOM 0 HD11 ILE A 42 3.117 13.449 -4.821 1.00 35.55 H new ATOM 0 HD12 ILE A 42 3.509 11.878 -4.082 1.00 35.55 H new ATOM 0 HD13 ILE A 42 2.967 11.954 -5.776 1.00 35.55 H new ATOM 618 N LEU A 43 1.507 7.714 -5.598 1.00 52.40 N ATOM 619 CA LEU A 43 1.219 6.291 -5.474 1.00 71.52 C ATOM 620 C LEU A 43 1.231 5.870 -4.005 1.00 54.41 C ATOM 621 O LEU A 43 2.284 5.800 -3.356 1.00 33.40 O ATOM 622 CB LEU A 43 2.225 5.462 -6.290 1.00 51.33 C ATOM 623 CG LEU A 43 2.105 3.933 -6.139 1.00 61.24 C ATOM 624 CD1 LEU A 43 0.677 3.457 -6.412 1.00 14.22 C ATOM 625 CD2 LEU A 43 3.099 3.224 -7.059 1.00 23.33 C ATOM 0 H LEU A 43 2.491 7.927 -5.763 1.00 52.40 H new ATOM 0 HA LEU A 43 0.223 6.103 -5.874 1.00 71.52 H new ATOM 0 HB2 LEU A 43 2.107 5.715 -7.344 1.00 51.33 H new ATOM 0 HB3 LEU A 43 3.233 5.760 -6.001 1.00 51.33 H new ATOM 0 HG LEU A 43 2.346 3.678 -5.107 1.00 61.24 H new ATOM 0 HD11 LEU A 43 0.626 2.374 -6.297 1.00 14.22 H new ATOM 0 HD12 LEU A 43 -0.005 3.929 -5.705 1.00 14.22 H new ATOM 0 HD13 LEU A 43 0.391 3.728 -7.428 1.00 14.22 H new ATOM 0 HD21 LEU A 43 3.000 2.145 -6.939 1.00 23.33 H new ATOM 0 HD22 LEU A 43 2.893 3.494 -8.095 1.00 23.33 H new ATOM 0 HD23 LEU A 43 4.114 3.526 -6.800 1.00 23.33 H new ATOM 637 N ILE A 44 0.044 5.604 -3.488 1.00 62.11 N ATOM 638 CA ILE A 44 -0.138 5.200 -2.106 1.00 35.13 C ATOM 639 C ILE A 44 -0.518 3.722 -2.034 1.00 50.31 C ATOM 640 O ILE A 44 -1.582 3.323 -2.504 1.00 3.13 O ATOM 641 CB ILE A 44 -1.236 6.058 -1.426 1.00 53.24 C ATOM 642 CG1 ILE A 44 -0.818 7.539 -1.405 1.00 41.11 C ATOM 643 CG2 ILE A 44 -1.516 5.553 -0.017 1.00 54.15 C ATOM 644 CD1 ILE A 44 -1.850 8.463 -0.790 1.00 50.23 C ATOM 0 H ILE A 44 -0.825 5.663 -4.019 1.00 62.11 H new ATOM 0 HA ILE A 44 0.803 5.354 -1.578 1.00 35.13 H new ATOM 0 HB ILE A 44 -2.156 5.969 -2.004 1.00 53.24 H new ATOM 0 HG12 ILE A 44 0.116 7.634 -0.851 1.00 41.11 H new ATOM 0 HG13 ILE A 44 -0.617 7.864 -2.426 1.00 41.11 H new ATOM 0 HG21 ILE A 44 -2.289 6.168 0.443 1.00 54.15 H new ATOM 0 HG22 ILE A 44 -1.855 4.518 -0.062 1.00 54.15 H new ATOM 0 HG23 ILE A 44 -0.605 5.611 0.578 1.00 54.15 H new ATOM 0 HD11 ILE A 44 -1.480 9.488 -0.813 1.00 50.23 H new ATOM 0 HD12 ILE A 44 -2.779 8.400 -1.357 1.00 50.23 H new ATOM 0 HD13 ILE A 44 -2.034 8.167 0.243 1.00 50.23 H new ATOM 656 N LEU A 45 0.369 2.910 -1.474 1.00 54.03 N ATOM 657 CA LEU A 45 0.094 1.489 -1.289 1.00 51.32 C ATOM 658 C LEU A 45 -0.401 1.255 0.136 1.00 35.23 C ATOM 659 O LEU A 45 -0.061 2.015 1.041 1.00 62.22 O ATOM 660 CB LEU A 45 1.350 0.634 -1.541 1.00 5.21 C ATOM 661 CG LEU A 45 1.952 0.705 -2.960 1.00 51.32 C ATOM 662 CD1 LEU A 45 2.653 2.041 -3.195 1.00 41.42 C ATOM 663 CD2 LEU A 45 2.914 -0.462 -3.195 1.00 70.12 C ATOM 0 H LEU A 45 1.285 3.210 -1.140 1.00 54.03 H new ATOM 0 HA LEU A 45 -0.668 1.192 -2.010 1.00 51.32 H new ATOM 0 HB2 LEU A 45 2.118 0.935 -0.828 1.00 5.21 H new ATOM 0 HB3 LEU A 45 1.105 -0.406 -1.325 1.00 5.21 H new ATOM 0 HG LEU A 45 1.135 0.627 -3.677 1.00 51.32 H new ATOM 0 HD11 LEU A 45 3.067 2.062 -4.203 1.00 41.42 H new ATOM 0 HD12 LEU A 45 1.935 2.853 -3.081 1.00 41.42 H new ATOM 0 HD13 LEU A 45 3.457 2.162 -2.469 1.00 41.42 H new ATOM 0 HD21 LEU A 45 3.328 -0.395 -4.201 1.00 70.12 H new ATOM 0 HD22 LEU A 45 3.723 -0.419 -2.466 1.00 70.12 H new ATOM 0 HD23 LEU A 45 2.377 -1.404 -3.086 1.00 70.12 H new ATOM 675 N VAL A 46 -1.199 0.214 0.333 1.00 72.11 N ATOM 676 CA VAL A 46 -1.700 -0.140 1.661 1.00 14.01 C ATOM 677 C VAL A 46 -1.643 -1.651 1.855 1.00 22.25 C ATOM 678 O VAL A 46 -2.280 -2.397 1.111 1.00 4.45 O ATOM 679 CB VAL A 46 -3.161 0.348 1.880 1.00 33.31 C ATOM 680 CG1 VAL A 46 -3.660 -0.025 3.278 1.00 32.43 C ATOM 681 CG2 VAL A 46 -3.279 1.857 1.652 1.00 43.42 C ATOM 0 H VAL A 46 -1.517 -0.405 -0.413 1.00 72.11 H new ATOM 0 HA VAL A 46 -1.062 0.357 2.391 1.00 14.01 H new ATOM 0 HB VAL A 46 -3.791 -0.156 1.147 1.00 33.31 H new ATOM 0 HG11 VAL A 46 -4.684 0.328 3.405 1.00 32.43 H new ATOM 0 HG12 VAL A 46 -3.632 -1.108 3.397 1.00 32.43 H new ATOM 0 HG13 VAL A 46 -3.020 0.439 4.029 1.00 32.43 H new ATOM 0 HG21 VAL A 46 -4.311 2.170 1.812 1.00 43.42 H new ATOM 0 HG22 VAL A 46 -2.628 2.383 2.351 1.00 43.42 H new ATOM 0 HG23 VAL A 46 -2.982 2.095 0.631 1.00 43.42 H new ATOM 691 N ASP A 47 -0.872 -2.105 2.838 1.00 51.41 N ATOM 692 CA ASP A 47 -0.762 -3.538 3.117 1.00 22.02 C ATOM 693 C ASP A 47 -1.734 -3.947 4.222 1.00 42.35 C ATOM 694 O ASP A 47 -2.147 -3.123 5.046 1.00 34.30 O ATOM 695 CB ASP A 47 0.670 -3.924 3.523 1.00 72.13 C ATOM 696 CG ASP A 47 1.005 -3.559 4.965 1.00 55.04 C ATOM 697 OD1 ASP A 47 0.709 -4.374 5.874 1.00 74.34 O ATOM 698 OD2 ASP A 47 1.577 -2.473 5.189 1.00 31.22 O ATOM 0 H ASP A 47 -0.317 -1.509 3.452 1.00 51.41 H new ATOM 0 HA ASP A 47 -1.015 -4.068 2.199 1.00 22.02 H new ATOM 0 HB2 ASP A 47 0.802 -4.997 3.387 1.00 72.13 H new ATOM 0 HB3 ASP A 47 1.376 -3.428 2.856 1.00 72.13 H new ATOM 703 N PHE A 48 -2.116 -5.220 4.212 1.00 51.53 N ATOM 704 CA PHE A 48 -2.938 -5.798 5.274 1.00 24.33 C ATOM 705 C PHE A 48 -2.269 -7.048 5.843 1.00 3.01 C ATOM 706 O PHE A 48 -2.939 -8.038 6.136 1.00 43.41 O ATOM 707 CB PHE A 48 -4.338 -6.136 4.735 1.00 62.23 C ATOM 708 CG PHE A 48 -5.155 -4.918 4.378 1.00 65.41 C ATOM 709 CD1 PHE A 48 -5.014 -4.305 3.139 1.00 12.24 C ATOM 710 CD2 PHE A 48 -6.052 -4.376 5.288 1.00 4.25 C ATOM 711 CE1 PHE A 48 -5.751 -3.183 2.821 1.00 40.40 C ATOM 712 CE2 PHE A 48 -6.790 -3.252 4.971 1.00 43.00 C ATOM 713 CZ PHE A 48 -6.641 -2.655 3.736 1.00 72.23 C ATOM 0 H PHE A 48 -1.867 -5.878 3.473 1.00 51.53 H new ATOM 0 HA PHE A 48 -3.040 -5.067 6.076 1.00 24.33 H new ATOM 0 HB2 PHE A 48 -4.236 -6.767 3.852 1.00 62.23 H new ATOM 0 HB3 PHE A 48 -4.876 -6.718 5.483 1.00 62.23 H new ATOM 0 HD1 PHE A 48 -4.320 -4.711 2.418 1.00 12.24 H new ATOM 0 HD2 PHE A 48 -6.175 -4.839 6.256 1.00 4.25 H new ATOM 0 HE1 PHE A 48 -5.632 -2.716 1.854 1.00 40.40 H new ATOM 0 HE2 PHE A 48 -7.483 -2.841 5.690 1.00 43.00 H new ATOM 0 HZ PHE A 48 -7.219 -1.777 3.485 1.00 72.23 H new ATOM 723 N TRP A 49 -0.946 -6.984 6.022 1.00 35.10 N ATOM 724 CA TRP A 49 -0.180 -8.130 6.521 1.00 41.22 C ATOM 725 C TRP A 49 -0.698 -8.591 7.882 1.00 22.41 C ATOM 726 O TRP A 49 -0.855 -9.791 8.116 1.00 74.40 O ATOM 727 CB TRP A 49 1.317 -7.791 6.626 1.00 62.31 C ATOM 728 CG TRP A 49 1.974 -7.500 5.309 1.00 21.22 C ATOM 729 CD1 TRP A 49 1.736 -8.115 4.110 1.00 11.30 C ATOM 730 CD2 TRP A 49 3.000 -6.530 5.063 1.00 51.12 C ATOM 731 NE1 TRP A 49 2.541 -7.576 3.136 1.00 24.51 N ATOM 732 CE2 TRP A 49 3.324 -6.602 3.697 1.00 71.20 C ATOM 733 CE3 TRP A 49 3.670 -5.601 5.866 1.00 32.44 C ATOM 734 CZ2 TRP A 49 4.289 -5.786 3.119 1.00 75.14 C ATOM 735 CZ3 TRP A 49 4.628 -4.790 5.290 1.00 11.44 C ATOM 736 CH2 TRP A 49 4.929 -4.887 3.926 1.00 74.04 C ATOM 0 H TRP A 49 -0.385 -6.154 5.830 1.00 35.10 H new ATOM 0 HA TRP A 49 -0.309 -8.941 5.804 1.00 41.22 H new ATOM 0 HB2 TRP A 49 1.438 -6.926 7.279 1.00 62.31 H new ATOM 0 HB3 TRP A 49 1.835 -8.624 7.102 1.00 62.31 H new ATOM 0 HD1 TRP A 49 1.020 -8.908 3.952 1.00 11.30 H new ATOM 0 HE1 TRP A 49 2.554 -7.855 2.155 1.00 24.51 H new ATOM 0 HE3 TRP A 49 3.442 -5.519 6.918 1.00 32.44 H new ATOM 0 HZ2 TRP A 49 4.525 -5.860 2.068 1.00 75.14 H new ATOM 0 HZ3 TRP A 49 5.153 -4.070 5.901 1.00 11.44 H new ATOM 0 HH2 TRP A 49 5.682 -4.239 3.503 1.00 74.04 H new ATOM 747 N ALA A 50 -0.962 -7.628 8.769 1.00 14.03 N ATOM 748 CA ALA A 50 -1.427 -7.919 10.129 1.00 60.24 C ATOM 749 C ALA A 50 -0.330 -8.623 10.949 1.00 71.04 C ATOM 750 O ALA A 50 0.672 -9.068 10.390 1.00 53.13 O ATOM 751 CB ALA A 50 -2.710 -8.757 10.082 1.00 14.32 C ATOM 0 H ALA A 50 -0.861 -6.633 8.568 1.00 14.03 H new ATOM 0 HA ALA A 50 -1.653 -6.976 10.627 1.00 60.24 H new ATOM 0 HB1 ALA A 50 -3.045 -8.966 11.098 1.00 14.32 H new ATOM 0 HB2 ALA A 50 -3.486 -8.206 9.550 1.00 14.32 H new ATOM 0 HB3 ALA A 50 -2.513 -9.696 9.564 1.00 14.32 H new ATOM 757 N PRO A 51 -0.478 -8.706 12.295 1.00 62.53 N ATOM 758 CA PRO A 51 0.490 -9.422 13.147 1.00 32.34 C ATOM 759 C PRO A 51 0.611 -10.899 12.756 1.00 74.52 C ATOM 760 O PRO A 51 1.679 -11.508 12.882 1.00 51.20 O ATOM 761 CB PRO A 51 -0.087 -9.274 14.568 1.00 33.54 C ATOM 762 CG PRO A 51 -1.518 -8.898 14.371 1.00 31.53 C ATOM 763 CD PRO A 51 -1.563 -8.100 13.096 1.00 65.14 C ATOM 0 HA PRO A 51 1.498 -9.017 13.052 1.00 32.34 H new ATOM 0 HB2 PRO A 51 0.002 -10.205 15.128 1.00 33.54 H new ATOM 0 HB3 PRO A 51 0.447 -8.510 15.132 1.00 33.54 H new ATOM 0 HG2 PRO A 51 -2.148 -9.784 14.300 1.00 31.53 H new ATOM 0 HG3 PRO A 51 -1.887 -8.311 15.212 1.00 31.53 H new ATOM 0 HD2 PRO A 51 -2.529 -8.185 12.599 1.00 65.14 H new ATOM 0 HD3 PRO A 51 -1.389 -7.039 13.276 1.00 65.14 H new ATOM 771 N TRP A 52 -0.494 -11.461 12.281 1.00 62.24 N ATOM 772 CA TRP A 52 -0.529 -12.840 11.811 1.00 22.42 C ATOM 773 C TRP A 52 -0.350 -12.855 10.294 1.00 4.12 C ATOM 774 O TRP A 52 -1.324 -12.766 9.552 1.00 70.23 O ATOM 775 CB TRP A 52 -1.862 -13.496 12.214 1.00 14.25 C ATOM 776 CG TRP A 52 -1.957 -14.961 11.881 1.00 72.10 C ATOM 777 CD1 TRP A 52 -2.454 -15.514 10.735 1.00 51.52 C ATOM 778 CD2 TRP A 52 -1.551 -16.054 12.710 1.00 20.44 C ATOM 779 NE1 TRP A 52 -2.378 -16.883 10.800 1.00 32.33 N ATOM 780 CE2 TRP A 52 -1.827 -17.241 12.003 1.00 13.52 C ATOM 781 CE3 TRP A 52 -0.979 -16.147 13.982 1.00 52.42 C ATOM 782 CZ2 TRP A 52 -1.546 -18.502 12.526 1.00 73.44 C ATOM 783 CZ3 TRP A 52 -0.703 -17.399 14.502 1.00 3.12 C ATOM 784 CH2 TRP A 52 -0.987 -18.561 13.772 1.00 14.44 C ATOM 0 H TRP A 52 -1.388 -10.975 12.211 1.00 62.24 H new ATOM 0 HA TRP A 52 0.280 -13.410 12.267 1.00 22.42 H new ATOM 0 HB2 TRP A 52 -2.006 -13.369 13.287 1.00 14.25 H new ATOM 0 HB3 TRP A 52 -2.677 -12.969 11.718 1.00 14.25 H new ATOM 0 HD1 TRP A 52 -2.849 -14.955 9.899 1.00 51.52 H new ATOM 0 HE1 TRP A 52 -2.682 -17.529 10.072 1.00 32.33 H new ATOM 0 HE3 TRP A 52 -0.756 -15.256 14.550 1.00 52.42 H new ATOM 0 HZ2 TRP A 52 -1.762 -19.400 11.967 1.00 73.44 H new ATOM 0 HZ3 TRP A 52 -0.262 -17.482 15.485 1.00 3.12 H new ATOM 0 HH2 TRP A 52 -0.759 -19.525 14.203 1.00 14.44 H new ATOM 795 N CYS A 53 0.900 -12.932 9.845 1.00 13.33 N ATOM 796 CA CYS A 53 1.216 -12.839 8.423 1.00 22.41 C ATOM 797 C CYS A 53 2.177 -13.948 7.979 1.00 12.41 C ATOM 798 O CYS A 53 1.797 -14.833 7.210 1.00 53.11 O ATOM 799 CB CYS A 53 1.805 -11.453 8.121 1.00 54.14 C ATOM 800 SG CYS A 53 3.024 -10.880 9.353 1.00 33.32 S ATOM 0 H CYS A 53 1.713 -13.059 10.448 1.00 13.33 H new ATOM 0 HA CYS A 53 0.294 -12.973 7.856 1.00 22.41 H new ATOM 0 HB2 CYS A 53 2.279 -11.477 7.140 1.00 54.14 H new ATOM 0 HB3 CYS A 53 0.992 -10.729 8.065 1.00 54.14 H new ATOM 805 N GLY A 54 3.420 -13.899 8.459 1.00 43.45 N ATOM 806 CA GLY A 54 4.416 -14.899 8.083 1.00 42.24 C ATOM 807 C GLY A 54 5.431 -14.365 7.081 1.00 25.32 C ATOM 808 O GLY A 54 6.421 -13.743 7.479 1.00 15.23 O ATOM 0 H GLY A 54 3.758 -13.184 9.103 1.00 43.45 H new ATOM 0 HA2 GLY A 54 4.938 -15.241 8.977 1.00 42.24 H new ATOM 0 HA3 GLY A 54 3.912 -15.767 7.657 1.00 42.24 H new ATOM 812 N PRO A 55 5.209 -14.575 5.760 1.00 64.14 N ATOM 813 CA PRO A 55 6.117 -14.088 4.698 1.00 51.23 C ATOM 814 C PRO A 55 6.386 -12.582 4.804 1.00 11.12 C ATOM 815 O PRO A 55 7.342 -12.062 4.220 1.00 64.34 O ATOM 816 CB PRO A 55 5.363 -14.416 3.401 1.00 72.04 C ATOM 817 CG PRO A 55 4.476 -15.560 3.764 1.00 3.41 C ATOM 818 CD PRO A 55 4.065 -15.325 5.193 1.00 55.33 C ATOM 0 HA PRO A 55 7.101 -14.553 4.759 1.00 51.23 H new ATOM 0 HB2 PRO A 55 4.785 -13.561 3.051 1.00 72.04 H new ATOM 0 HB3 PRO A 55 6.051 -14.686 2.599 1.00 72.04 H new ATOM 0 HG2 PRO A 55 3.606 -15.603 3.109 1.00 3.41 H new ATOM 0 HG3 PRO A 55 5.001 -16.510 3.659 1.00 3.41 H new ATOM 0 HD2 PRO A 55 3.139 -14.754 5.256 1.00 55.33 H new ATOM 0 HD3 PRO A 55 3.897 -16.263 5.722 1.00 55.33 H new ATOM 826 N CYS A 56 5.538 -11.903 5.572 1.00 3.01 N ATOM 827 CA CYS A 56 5.664 -10.469 5.830 1.00 30.44 C ATOM 828 C CYS A 56 7.077 -10.109 6.291 1.00 30.12 C ATOM 829 O CYS A 56 7.550 -8.999 6.054 1.00 20.24 O ATOM 830 CB CYS A 56 4.657 -10.065 6.907 1.00 65.15 C ATOM 831 SG CYS A 56 4.817 -11.062 8.426 1.00 31.33 S ATOM 0 H CYS A 56 4.739 -12.334 6.036 1.00 3.01 H new ATOM 0 HA CYS A 56 5.464 -9.932 4.903 1.00 30.44 H new ATOM 0 HB2 CYS A 56 4.795 -9.012 7.152 1.00 65.15 H new ATOM 0 HB3 CYS A 56 3.646 -10.170 6.512 1.00 65.15 H new ATOM 836 N ARG A 57 7.754 -11.072 6.923 1.00 3.52 N ATOM 837 CA ARG A 57 9.099 -10.859 7.460 1.00 25.33 C ATOM 838 C ARG A 57 10.050 -10.329 6.384 1.00 2.13 C ATOM 839 O ARG A 57 10.851 -9.438 6.652 1.00 31.15 O ATOM 840 CB ARG A 57 9.649 -12.168 8.056 1.00 43.24 C ATOM 841 CG ARG A 57 9.637 -13.349 7.087 1.00 61.42 C ATOM 842 CD ARG A 57 10.184 -14.620 7.728 1.00 63.24 C ATOM 843 NE ARG A 57 11.601 -14.491 8.083 1.00 3.50 N ATOM 844 CZ ARG A 57 12.181 -15.119 9.108 1.00 65.44 C ATOM 845 NH1 ARG A 57 11.479 -15.950 9.868 1.00 25.44 N ATOM 846 NH2 ARG A 57 13.470 -14.934 9.357 1.00 24.32 N ATOM 0 H ARG A 57 7.389 -12.012 7.075 1.00 3.52 H new ATOM 0 HA ARG A 57 9.030 -10.109 8.248 1.00 25.33 H new ATOM 0 HB2 ARG A 57 10.672 -11.999 8.393 1.00 43.24 H new ATOM 0 HB3 ARG A 57 9.062 -12.429 8.937 1.00 43.24 H new ATOM 0 HG2 ARG A 57 8.618 -13.526 6.744 1.00 61.42 H new ATOM 0 HG3 ARG A 57 10.231 -13.102 6.207 1.00 61.42 H new ATOM 0 HD2 ARG A 57 9.606 -14.852 8.622 1.00 63.24 H new ATOM 0 HD3 ARG A 57 10.057 -15.456 7.040 1.00 63.24 H new ATOM 0 HE ARG A 57 12.182 -13.881 7.508 1.00 3.50 H new ATOM 0 HH11 ARG A 57 10.491 -16.111 9.670 1.00 25.44 H new ATOM 0 HH12 ARG A 57 11.927 -16.427 10.650 1.00 25.44 H new ATOM 0 HH21 ARG A 57 14.020 -14.311 8.765 1.00 24.32 H new ATOM 0 HH22 ARG A 57 13.912 -15.414 10.141 1.00 24.32 H new ATOM 860 N SER A 58 9.982 -10.905 5.189 1.00 55.04 N ATOM 861 CA SER A 58 10.774 -10.436 4.052 1.00 64.14 C ATOM 862 C SER A 58 10.184 -9.147 3.466 1.00 14.03 C ATOM 863 O SER A 58 10.895 -8.162 3.202 1.00 14.24 O ATOM 864 CB SER A 58 10.828 -11.527 2.976 1.00 41.33 C ATOM 865 OG SER A 58 11.708 -11.177 1.922 1.00 43.10 O ATOM 0 H SER A 58 9.383 -11.703 4.979 1.00 55.04 H new ATOM 0 HA SER A 58 11.784 -10.219 4.400 1.00 64.14 H new ATOM 0 HB2 SER A 58 11.152 -12.466 3.425 1.00 41.33 H new ATOM 0 HB3 SER A 58 9.828 -11.694 2.576 1.00 41.33 H new ATOM 0 HG SER A 58 11.230 -10.628 1.265 1.00 43.10 H new ATOM 871 N LEU A 59 8.869 -9.162 3.279 1.00 14.10 N ATOM 872 CA LEU A 59 8.173 -8.096 2.564 1.00 74.02 C ATOM 873 C LEU A 59 8.319 -6.740 3.254 1.00 24.33 C ATOM 874 O LEU A 59 8.388 -5.718 2.575 1.00 13.13 O ATOM 875 CB LEU A 59 6.687 -8.449 2.368 1.00 33.14 C ATOM 876 CG LEU A 59 6.381 -9.394 1.189 1.00 13.12 C ATOM 877 CD1 LEU A 59 6.699 -8.717 -0.140 1.00 21.12 C ATOM 878 CD2 LEU A 59 7.153 -10.706 1.318 1.00 35.53 C ATOM 0 H LEU A 59 8.258 -9.907 3.615 1.00 14.10 H new ATOM 0 HA LEU A 59 8.645 -8.009 1.585 1.00 74.02 H new ATOM 0 HB2 LEU A 59 6.316 -8.908 3.285 1.00 33.14 H new ATOM 0 HB3 LEU A 59 6.127 -7.525 2.225 1.00 33.14 H new ATOM 0 HG LEU A 59 5.316 -9.625 1.215 1.00 13.12 H new ATOM 0 HD11 LEU A 59 6.476 -9.401 -0.959 1.00 21.12 H new ATOM 0 HD12 LEU A 59 6.093 -7.817 -0.244 1.00 21.12 H new ATOM 0 HD13 LEU A 59 7.755 -8.449 -0.168 1.00 21.12 H new ATOM 0 HD21 LEU A 59 6.917 -11.352 0.472 1.00 35.53 H new ATOM 0 HD22 LEU A 59 8.223 -10.499 1.329 1.00 35.53 H new ATOM 0 HD23 LEU A 59 6.871 -11.205 2.245 1.00 35.53 H new ATOM 890 N GLU A 60 8.376 -6.719 4.587 1.00 13.32 N ATOM 891 CA GLU A 60 8.532 -5.453 5.301 1.00 1.21 C ATOM 892 C GLU A 60 9.843 -4.767 4.886 1.00 53.12 C ATOM 893 O GLU A 60 9.798 -3.687 4.308 1.00 63.53 O ATOM 894 CB GLU A 60 8.457 -5.620 6.831 1.00 22.31 C ATOM 895 CG GLU A 60 7.119 -6.137 7.348 1.00 1.25 C ATOM 896 CD GLU A 60 6.973 -5.961 8.854 1.00 5.01 C ATOM 897 OE1 GLU A 60 7.758 -6.574 9.610 1.00 22.31 O ATOM 898 OE2 GLU A 60 6.092 -5.185 9.286 1.00 71.35 O ATOM 0 H GLU A 60 8.318 -7.545 5.182 1.00 13.32 H new ATOM 0 HA GLU A 60 7.692 -4.818 5.019 1.00 1.21 H new ATOM 0 HB2 GLU A 60 9.243 -6.305 7.148 1.00 22.31 H new ATOM 0 HB3 GLU A 60 8.665 -4.658 7.299 1.00 22.31 H new ATOM 0 HG2 GLU A 60 6.309 -5.611 6.843 1.00 1.25 H new ATOM 0 HG3 GLU A 60 7.019 -7.193 7.097 1.00 1.25 H new ATOM 905 N PRO A 61 11.034 -5.378 5.137 1.00 55.54 N ATOM 906 CA PRO A 61 12.309 -4.767 4.754 1.00 31.40 C ATOM 907 C PRO A 61 12.396 -4.502 3.249 1.00 43.43 C ATOM 908 O PRO A 61 12.933 -3.468 2.833 1.00 1.10 O ATOM 909 CB PRO A 61 13.375 -5.786 5.201 1.00 1.45 C ATOM 910 CG PRO A 61 12.636 -7.064 5.400 1.00 40.25 C ATOM 911 CD PRO A 61 11.239 -6.677 5.806 1.00 13.52 C ATOM 0 HA PRO A 61 12.440 -3.790 5.220 1.00 31.40 H new ATOM 0 HB2 PRO A 61 14.155 -5.896 4.448 1.00 1.45 H new ATOM 0 HB3 PRO A 61 13.864 -5.466 6.121 1.00 1.45 H new ATOM 0 HG2 PRO A 61 12.626 -7.656 4.485 1.00 40.25 H new ATOM 0 HG3 PRO A 61 13.111 -7.674 6.169 1.00 40.25 H new ATOM 0 HD2 PRO A 61 10.507 -7.416 5.481 1.00 13.52 H new ATOM 0 HD3 PRO A 61 11.145 -6.590 6.888 1.00 13.52 H new ATOM 919 N GLN A 62 11.874 -5.429 2.431 1.00 61.14 N ATOM 920 CA GLN A 62 11.854 -5.225 0.982 1.00 12.52 C ATOM 921 C GLN A 62 11.109 -3.935 0.614 1.00 34.52 C ATOM 922 O GLN A 62 11.669 -3.051 -0.043 1.00 32.45 O ATOM 923 CB GLN A 62 11.219 -6.428 0.270 1.00 70.11 C ATOM 924 CG GLN A 62 12.006 -7.723 0.446 1.00 65.32 C ATOM 925 CD GLN A 62 11.594 -8.804 -0.541 1.00 15.02 C ATOM 926 OE1 GLN A 62 10.650 -9.642 -0.147 1.00 61.22 O flip ATOM 927 NE2 GLN A 62 12.134 -8.892 -1.645 1.00 52.41 N flip ATOM 0 H GLN A 62 11.468 -6.311 2.745 1.00 61.14 H new ATOM 0 HA GLN A 62 12.887 -5.129 0.648 1.00 12.52 H new ATOM 0 HB2 GLN A 62 10.207 -6.572 0.649 1.00 70.11 H new ATOM 0 HB3 GLN A 62 11.132 -6.206 -0.794 1.00 70.11 H new ATOM 0 HG2 GLN A 62 13.069 -7.515 0.327 1.00 65.32 H new ATOM 0 HG3 GLN A 62 11.865 -8.093 1.462 1.00 65.32 H new ATOM 0 HE21 GLN A 62 12.859 -8.226 -1.913 1.00 52.41 H new ATOM 0 HE22 GLN A 62 11.856 -9.631 -2.291 1.00 52.41 H new ATOM 936 N LEU A 63 9.859 -3.816 1.062 1.00 34.42 N ATOM 937 CA LEU A 63 9.034 -2.660 0.710 1.00 42.32 C ATOM 938 C LEU A 63 9.506 -1.403 1.430 1.00 33.23 C ATOM 939 O LEU A 63 9.276 -0.296 0.954 1.00 12.44 O ATOM 940 CB LEU A 63 7.549 -2.920 1.005 1.00 23.51 C ATOM 941 CG LEU A 63 6.910 -4.063 0.199 1.00 3.31 C ATOM 942 CD1 LEU A 63 5.392 -4.059 0.366 1.00 4.35 C ATOM 943 CD2 LEU A 63 7.298 -3.968 -1.275 1.00 64.53 C ATOM 0 H LEU A 63 9.399 -4.499 1.664 1.00 34.42 H new ATOM 0 HA LEU A 63 9.144 -2.501 -0.363 1.00 42.32 H new ATOM 0 HB2 LEU A 63 7.440 -3.141 2.067 1.00 23.51 H new ATOM 0 HB3 LEU A 63 6.991 -2.004 0.811 1.00 23.51 H new ATOM 0 HG LEU A 63 7.289 -5.008 0.587 1.00 3.31 H new ATOM 0 HD11 LEU A 63 4.960 -4.876 -0.213 1.00 4.35 H new ATOM 0 HD12 LEU A 63 5.141 -4.188 1.419 1.00 4.35 H new ATOM 0 HD13 LEU A 63 4.989 -3.110 0.011 1.00 4.35 H new ATOM 0 HD21 LEU A 63 6.835 -4.786 -1.827 1.00 64.53 H new ATOM 0 HD22 LEU A 63 6.955 -3.017 -1.681 1.00 64.53 H new ATOM 0 HD23 LEU A 63 8.382 -4.033 -1.371 1.00 64.53 H new ATOM 955 N GLU A 64 10.160 -1.576 2.575 1.00 71.41 N ATOM 956 CA GLU A 64 10.803 -0.461 3.276 1.00 45.24 C ATOM 957 C GLU A 64 11.900 0.139 2.399 1.00 12.14 C ATOM 958 O GLU A 64 12.002 1.363 2.247 1.00 63.13 O ATOM 959 CB GLU A 64 11.381 -0.944 4.617 1.00 14.51 C ATOM 960 CG GLU A 64 10.333 -1.092 5.720 1.00 35.21 C ATOM 961 CD GLU A 64 10.131 0.189 6.505 1.00 12.43 C ATOM 962 OE1 GLU A 64 9.448 1.095 6.001 1.00 13.31 O ATOM 963 OE2 GLU A 64 10.671 0.295 7.628 1.00 12.41 O ATOM 0 H GLU A 64 10.261 -2.478 3.040 1.00 71.41 H new ATOM 0 HA GLU A 64 10.061 0.311 3.480 1.00 45.24 H new ATOM 0 HB2 GLU A 64 11.874 -1.904 4.465 1.00 14.51 H new ATOM 0 HB3 GLU A 64 12.146 -0.241 4.947 1.00 14.51 H new ATOM 0 HG2 GLU A 64 9.385 -1.396 5.277 1.00 35.21 H new ATOM 0 HG3 GLU A 64 10.637 -1.887 6.401 1.00 35.21 H new ATOM 970 N LYS A 65 12.700 -0.740 1.799 1.00 5.23 N ATOM 971 CA LYS A 65 13.757 -0.325 0.889 1.00 44.41 C ATOM 972 C LYS A 65 13.154 0.387 -0.317 1.00 2.45 C ATOM 973 O LYS A 65 13.560 1.502 -0.666 1.00 10.03 O ATOM 974 CB LYS A 65 14.580 -1.546 0.441 1.00 12.12 C ATOM 975 CG LYS A 65 15.568 -1.254 -0.688 1.00 31.34 C ATOM 976 CD LYS A 65 16.503 -2.435 -0.949 1.00 0.42 C ATOM 977 CE LYS A 65 17.411 -2.716 0.246 1.00 53.52 C ATOM 978 NZ LYS A 65 18.346 -3.846 -0.013 1.00 33.31 N ATOM 0 H LYS A 65 12.633 -1.749 1.930 1.00 5.23 H new ATOM 0 HA LYS A 65 14.422 0.367 1.406 1.00 44.41 H new ATOM 0 HB2 LYS A 65 15.130 -1.934 1.298 1.00 12.12 H new ATOM 0 HB3 LYS A 65 13.897 -2.332 0.117 1.00 12.12 H new ATOM 0 HG2 LYS A 65 15.018 -1.018 -1.599 1.00 31.34 H new ATOM 0 HG3 LYS A 65 16.158 -0.373 -0.435 1.00 31.34 H new ATOM 0 HD2 LYS A 65 15.912 -3.323 -1.173 1.00 0.42 H new ATOM 0 HD3 LYS A 65 17.113 -2.228 -1.828 1.00 0.42 H new ATOM 0 HE2 LYS A 65 17.984 -1.820 0.484 1.00 53.52 H new ATOM 0 HE3 LYS A 65 16.800 -2.945 1.119 1.00 53.52 H new ATOM 0 HZ1 LYS A 65 18.943 -4.002 0.824 1.00 33.31 H new ATOM 0 HZ2 LYS A 65 17.801 -4.708 -0.215 1.00 33.31 H new ATOM 0 HZ3 LYS A 65 18.948 -3.618 -0.830 1.00 33.31 H new ATOM 992 N LEU A 66 12.165 -0.253 -0.932 1.00 72.24 N ATOM 993 CA LEU A 66 11.503 0.313 -2.102 1.00 31.44 C ATOM 994 C LEU A 66 10.801 1.621 -1.747 1.00 1.41 C ATOM 995 O LEU A 66 10.716 2.534 -2.571 1.00 5.55 O ATOM 996 CB LEU A 66 10.502 -0.685 -2.702 1.00 51.14 C ATOM 997 CG LEU A 66 11.108 -2.005 -3.196 1.00 25.23 C ATOM 998 CD1 LEU A 66 10.068 -2.815 -3.958 1.00 42.13 C ATOM 999 CD2 LEU A 66 12.345 -1.754 -4.055 1.00 24.44 C ATOM 0 H LEU A 66 11.805 -1.162 -0.641 1.00 72.24 H new ATOM 0 HA LEU A 66 12.267 0.523 -2.850 1.00 31.44 H new ATOM 0 HB2 LEU A 66 9.745 -0.911 -1.951 1.00 51.14 H new ATOM 0 HB3 LEU A 66 9.991 -0.204 -3.536 1.00 51.14 H new ATOM 0 HG LEU A 66 11.422 -2.583 -2.327 1.00 25.23 H new ATOM 0 HD11 LEU A 66 10.514 -3.748 -4.302 1.00 42.13 H new ATOM 0 HD12 LEU A 66 9.226 -3.035 -3.302 1.00 42.13 H new ATOM 0 HD13 LEU A 66 9.718 -2.242 -4.817 1.00 42.13 H new ATOM 0 HD21 LEU A 66 12.754 -2.707 -4.391 1.00 24.44 H new ATOM 0 HD22 LEU A 66 12.071 -1.151 -4.921 1.00 24.44 H new ATOM 0 HD23 LEU A 66 13.095 -1.225 -3.467 1.00 24.44 H new ATOM 1011 N ALA A 67 10.318 1.716 -0.512 1.00 54.02 N ATOM 1012 CA ALA A 67 9.657 2.925 -0.039 1.00 31.13 C ATOM 1013 C ALA A 67 10.644 4.078 -0.029 1.00 64.42 C ATOM 1014 O ALA A 67 10.404 5.115 -0.634 1.00 24.43 O ATOM 1015 CB ALA A 67 9.068 2.712 1.352 1.00 4.25 C ATOM 0 H ALA A 67 10.373 0.968 0.179 1.00 54.02 H new ATOM 0 HA ALA A 67 8.838 3.165 -0.717 1.00 31.13 H new ATOM 0 HB1 ALA A 67 8.580 3.628 1.684 1.00 4.25 H new ATOM 0 HB2 ALA A 67 8.338 1.903 1.318 1.00 4.25 H new ATOM 0 HB3 ALA A 67 9.865 2.452 2.049 1.00 4.25 H new ATOM 1021 N GLN A 68 11.776 3.870 0.639 1.00 61.24 N ATOM 1022 CA GLN A 68 12.830 4.883 0.713 1.00 32.14 C ATOM 1023 C GLN A 68 13.326 5.254 -0.683 1.00 10.35 C ATOM 1024 O GLN A 68 13.665 6.409 -0.953 1.00 52.02 O ATOM 1025 CB GLN A 68 14.001 4.376 1.561 1.00 74.14 C ATOM 1026 CG GLN A 68 13.638 4.112 3.014 1.00 32.35 C ATOM 1027 CD GLN A 68 14.842 3.769 3.871 1.00 41.01 C ATOM 1028 OE1 GLN A 68 14.773 4.104 5.149 1.00 71.50 O flip ATOM 1029 NE2 GLN A 68 15.826 3.207 3.389 1.00 44.54 N flip ATOM 0 H GLN A 68 11.989 3.007 1.139 1.00 61.24 H new ATOM 0 HA GLN A 68 12.409 5.773 1.182 1.00 32.14 H new ATOM 0 HB2 GLN A 68 14.386 3.457 1.120 1.00 74.14 H new ATOM 0 HB3 GLN A 68 14.807 5.109 1.525 1.00 74.14 H new ATOM 0 HG2 GLN A 68 13.145 4.992 3.426 1.00 32.35 H new ATOM 0 HG3 GLN A 68 12.920 3.293 3.061 1.00 32.35 H new ATOM 0 HE21 GLN A 68 15.841 2.965 2.398 1.00 44.54 H new ATOM 0 HE22 GLN A 68 16.626 2.984 3.981 1.00 44.54 H new ATOM 1038 N GLN A 69 13.364 4.260 -1.560 1.00 2.23 N ATOM 1039 CA GLN A 69 13.809 4.454 -2.936 1.00 53.22 C ATOM 1040 C GLN A 69 12.843 5.366 -3.697 1.00 63.31 C ATOM 1041 O GLN A 69 13.253 6.339 -4.332 1.00 23.22 O ATOM 1042 CB GLN A 69 13.899 3.092 -3.641 1.00 14.23 C ATOM 1043 CG GLN A 69 14.527 3.135 -5.030 1.00 1.44 C ATOM 1044 CD GLN A 69 16.005 3.481 -4.991 1.00 20.42 C ATOM 1045 OE1 GLN A 69 16.852 2.596 -4.851 1.00 22.32 O ATOM 1046 NE2 GLN A 69 16.330 4.757 -5.143 1.00 40.51 N ATOM 0 H GLN A 69 13.090 3.302 -1.341 1.00 2.23 H new ATOM 0 HA GLN A 69 14.790 4.928 -2.922 1.00 53.22 H new ATOM 0 HB2 GLN A 69 14.478 2.412 -3.016 1.00 14.23 H new ATOM 0 HB3 GLN A 69 12.896 2.673 -3.723 1.00 14.23 H new ATOM 0 HG2 GLN A 69 14.397 2.167 -5.514 1.00 1.44 H new ATOM 0 HG3 GLN A 69 14.001 3.870 -5.640 1.00 1.44 H new ATOM 0 HE21 GLN A 69 15.599 5.459 -5.256 1.00 40.51 H new ATOM 0 HE22 GLN A 69 17.311 5.036 -5.147 1.00 40.51 H new ATOM 1055 N TYR A 70 11.557 5.049 -3.600 1.00 24.03 N ATOM 1056 CA TYR A 70 10.518 5.670 -4.426 1.00 22.33 C ATOM 1057 C TYR A 70 9.676 6.692 -3.650 1.00 22.23 C ATOM 1058 O TYR A 70 8.704 7.219 -4.186 1.00 70.32 O ATOM 1059 CB TYR A 70 9.610 4.588 -5.021 1.00 24.34 C ATOM 1060 CG TYR A 70 10.338 3.600 -5.918 1.00 72.21 C ATOM 1061 CD1 TYR A 70 10.879 4.005 -7.133 1.00 0.14 C ATOM 1062 CD2 TYR A 70 10.479 2.263 -5.554 1.00 54.35 C ATOM 1063 CE1 TYR A 70 11.531 3.109 -7.958 1.00 22.33 C ATOM 1064 CE2 TYR A 70 11.133 1.363 -6.374 1.00 14.23 C ATOM 1065 CZ TYR A 70 11.658 1.792 -7.573 1.00 3.54 C ATOM 1066 OH TYR A 70 12.308 0.899 -8.395 1.00 63.44 O ATOM 0 H TYR A 70 11.200 4.353 -2.946 1.00 24.03 H new ATOM 0 HA TYR A 70 11.024 6.213 -5.224 1.00 22.33 H new ATOM 0 HB2 TYR A 70 9.131 4.042 -4.208 1.00 24.34 H new ATOM 0 HB3 TYR A 70 8.816 5.068 -5.594 1.00 24.34 H new ATOM 0 HD1 TYR A 70 10.788 5.037 -7.437 1.00 0.14 H new ATOM 0 HD2 TYR A 70 10.070 1.923 -4.614 1.00 54.35 H new ATOM 0 HE1 TYR A 70 11.940 3.440 -8.901 1.00 22.33 H new ATOM 0 HE2 TYR A 70 11.232 0.330 -6.076 1.00 14.23 H new ATOM 0 HH TYR A 70 12.312 0.013 -7.977 1.00 63.44 H new ATOM 1076 N THR A 71 10.043 6.964 -2.400 1.00 24.53 N ATOM 1077 CA THR A 71 9.217 7.776 -1.486 1.00 11.54 C ATOM 1078 C THR A 71 8.826 9.138 -2.087 1.00 22.12 C ATOM 1079 O THR A 71 7.858 9.761 -1.646 1.00 35.11 O ATOM 1080 CB THR A 71 9.945 7.995 -0.132 1.00 4.23 C ATOM 1081 OG1 THR A 71 9.118 8.727 0.784 1.00 62.21 O ATOM 1082 CG2 THR A 71 11.264 8.733 -0.329 1.00 2.44 C ATOM 0 H THR A 71 10.915 6.634 -1.986 1.00 24.53 H new ATOM 0 HA THR A 71 8.299 7.212 -1.322 1.00 11.54 H new ATOM 0 HB THR A 71 10.153 7.010 0.287 1.00 4.23 H new ATOM 0 HG1 THR A 71 9.635 8.948 1.586 1.00 62.21 H new ATOM 0 HG21 THR A 71 11.751 8.872 0.636 1.00 2.44 H new ATOM 0 HG22 THR A 71 11.913 8.150 -0.982 1.00 2.44 H new ATOM 0 HG23 THR A 71 11.073 9.706 -0.782 1.00 2.44 H new ATOM 1090 N GLU A 72 9.562 9.591 -3.101 1.00 41.12 N ATOM 1091 CA GLU A 72 9.230 10.837 -3.797 1.00 72.13 C ATOM 1092 C GLU A 72 7.814 10.789 -4.388 1.00 11.03 C ATOM 1093 O GLU A 72 7.152 11.823 -4.517 1.00 1.00 O ATOM 1094 CB GLU A 72 10.252 11.112 -4.906 1.00 43.44 C ATOM 1095 CG GLU A 72 11.621 11.530 -4.388 1.00 72.13 C ATOM 1096 CD GLU A 72 12.686 11.516 -5.471 1.00 24.34 C ATOM 1097 OE1 GLU A 72 12.660 12.398 -6.353 1.00 14.43 O ATOM 1098 OE2 GLU A 72 13.555 10.616 -5.446 1.00 64.21 O ATOM 0 H GLU A 72 10.391 9.116 -3.459 1.00 41.12 H new ATOM 0 HA GLU A 72 9.264 11.646 -3.067 1.00 72.13 H new ATOM 0 HB2 GLU A 72 10.363 10.216 -5.516 1.00 43.44 H new ATOM 0 HB3 GLU A 72 9.865 11.895 -5.558 1.00 43.44 H new ATOM 0 HG2 GLU A 72 11.554 12.531 -3.963 1.00 72.13 H new ATOM 0 HG3 GLU A 72 11.920 10.861 -3.581 1.00 72.13 H new ATOM 1105 N ASN A 73 7.362 9.589 -4.750 1.00 55.41 N ATOM 1106 CA ASN A 73 6.027 9.403 -5.331 1.00 33.31 C ATOM 1107 C ASN A 73 5.271 8.268 -4.637 1.00 44.03 C ATOM 1108 O ASN A 73 4.072 8.097 -4.852 1.00 32.12 O ATOM 1109 CB ASN A 73 6.121 9.096 -6.836 1.00 15.04 C ATOM 1110 CG ASN A 73 6.772 10.210 -7.637 1.00 24.11 C ATOM 1111 OD1 ASN A 73 6.114 11.166 -8.042 1.00 10.34 O ATOM 1112 ND2 ASN A 73 8.067 10.087 -7.890 1.00 73.50 N ATOM 0 H ASN A 73 7.900 8.728 -4.652 1.00 55.41 H new ATOM 0 HA ASN A 73 5.482 10.335 -5.184 1.00 33.31 H new ATOM 0 HB2 ASN A 73 6.689 8.177 -6.977 1.00 15.04 H new ATOM 0 HB3 ASN A 73 5.119 8.915 -7.226 1.00 15.04 H new ATOM 0 HD21 ASN A 73 8.550 10.800 -8.437 1.00 73.50 H new ATOM 0 HD22 ASN A 73 8.581 9.280 -7.537 1.00 73.50 H new ATOM 1119 N VAL A 74 5.971 7.499 -3.805 1.00 23.01 N ATOM 1120 CA VAL A 74 5.409 6.290 -3.202 1.00 3.54 C ATOM 1121 C VAL A 74 5.330 6.398 -1.681 1.00 41.55 C ATOM 1122 O VAL A 74 6.278 6.835 -1.030 1.00 45.11 O ATOM 1123 CB VAL A 74 6.251 5.044 -3.589 1.00 33.12 C ATOM 1124 CG1 VAL A 74 5.897 3.829 -2.728 1.00 30.20 C ATOM 1125 CG2 VAL A 74 6.068 4.722 -5.070 1.00 65.13 C ATOM 0 H VAL A 74 6.934 7.693 -3.531 1.00 23.01 H new ATOM 0 HA VAL A 74 4.396 6.180 -3.590 1.00 3.54 H new ATOM 0 HB VAL A 74 7.299 5.281 -3.403 1.00 33.12 H new ATOM 0 HG11 VAL A 74 6.508 2.978 -3.030 1.00 30.20 H new ATOM 0 HG12 VAL A 74 6.087 4.058 -1.680 1.00 30.20 H new ATOM 0 HG13 VAL A 74 4.843 3.584 -2.860 1.00 30.20 H new ATOM 0 HG21 VAL A 74 6.664 3.846 -5.328 1.00 65.13 H new ATOM 0 HG22 VAL A 74 5.016 4.517 -5.271 1.00 65.13 H new ATOM 0 HG23 VAL A 74 6.393 5.572 -5.670 1.00 65.13 H new ATOM 1135 N LYS A 75 4.186 5.998 -1.122 1.00 42.15 N ATOM 1136 CA LYS A 75 4.023 5.908 0.329 1.00 2.44 C ATOM 1137 C LYS A 75 3.150 4.704 0.678 1.00 1.04 C ATOM 1138 O LYS A 75 2.056 4.552 0.137 1.00 63.24 O ATOM 1139 CB LYS A 75 3.402 7.197 0.895 1.00 40.04 C ATOM 1140 CG LYS A 75 3.424 7.281 2.426 1.00 5.23 C ATOM 1141 CD LYS A 75 4.844 7.178 2.990 1.00 30.54 C ATOM 1142 CE LYS A 75 4.861 7.227 4.518 1.00 54.22 C ATOM 1143 NZ LYS A 75 4.465 8.560 5.046 1.00 62.22 N ATOM 0 H LYS A 75 3.358 5.731 -1.654 1.00 42.15 H new ATOM 0 HA LYS A 75 5.007 5.781 0.780 1.00 2.44 H new ATOM 0 HB2 LYS A 75 3.936 8.055 0.487 1.00 40.04 H new ATOM 0 HB3 LYS A 75 2.370 7.272 0.552 1.00 40.04 H new ATOM 0 HG2 LYS A 75 2.976 8.223 2.743 1.00 5.23 H new ATOM 0 HG3 LYS A 75 2.811 6.481 2.841 1.00 5.23 H new ATOM 0 HD2 LYS A 75 5.301 6.248 2.652 1.00 30.54 H new ATOM 0 HD3 LYS A 75 5.451 7.993 2.595 1.00 30.54 H new ATOM 0 HE2 LYS A 75 4.185 6.468 4.911 1.00 54.22 H new ATOM 0 HE3 LYS A 75 5.860 6.980 4.876 1.00 54.22 H new ATOM 0 HZ1 LYS A 75 4.278 8.488 6.066 1.00 62.22 H new ATOM 0 HZ2 LYS A 75 5.234 9.241 4.883 1.00 62.22 H new ATOM 0 HZ3 LYS A 75 3.606 8.885 4.559 1.00 62.22 H new ATOM 1157 N ILE A 76 3.642 3.842 1.565 1.00 40.51 N ATOM 1158 CA ILE A 76 2.884 2.667 1.994 1.00 5.21 C ATOM 1159 C ILE A 76 2.222 2.938 3.343 1.00 62.21 C ATOM 1160 O ILE A 76 2.807 3.592 4.211 1.00 63.53 O ATOM 1161 CB ILE A 76 3.764 1.383 2.106 1.00 31.31 C ATOM 1162 CG1 ILE A 76 4.439 1.036 0.761 1.00 13.00 C ATOM 1163 CG2 ILE A 76 2.926 0.194 2.592 1.00 75.21 C ATOM 1164 CD1 ILE A 76 5.574 1.961 0.368 1.00 3.45 C ATOM 0 H ILE A 76 4.560 3.934 2.000 1.00 40.51 H new ATOM 0 HA ILE A 76 2.132 2.484 1.227 1.00 5.21 H new ATOM 0 HB ILE A 76 4.548 1.589 2.835 1.00 31.31 H new ATOM 0 HG12 ILE A 76 4.820 0.016 0.813 1.00 13.00 H new ATOM 0 HG13 ILE A 76 3.684 1.054 -0.025 1.00 13.00 H new ATOM 0 HG21 ILE A 76 3.558 -0.691 2.663 1.00 75.21 H new ATOM 0 HG22 ILE A 76 2.507 0.421 3.572 1.00 75.21 H new ATOM 0 HG23 ILE A 76 2.117 0.006 1.886 1.00 75.21 H new ATOM 0 HD11 ILE A 76 5.988 1.642 -0.588 1.00 3.45 H new ATOM 0 HD12 ILE A 76 5.198 2.980 0.279 1.00 3.45 H new ATOM 0 HD13 ILE A 76 6.352 1.926 1.130 1.00 3.45 H new ATOM 1176 N TYR A 77 0.996 2.451 3.495 1.00 23.40 N ATOM 1177 CA TYR A 77 0.245 2.565 4.738 1.00 14.32 C ATOM 1178 C TYR A 77 -0.168 1.175 5.211 1.00 54.32 C ATOM 1179 O TYR A 77 -0.372 0.269 4.400 1.00 61.11 O ATOM 1180 CB TYR A 77 -1.003 3.439 4.542 1.00 63.32 C ATOM 1181 CG TYR A 77 -0.710 4.904 4.264 1.00 24.13 C ATOM 1182 CD1 TYR A 77 -0.304 5.328 3.006 1.00 11.55 C ATOM 1183 CD2 TYR A 77 -0.858 5.864 5.257 1.00 63.41 C ATOM 1184 CE1 TYR A 77 -0.052 6.662 2.745 1.00 1.42 C ATOM 1185 CE2 TYR A 77 -0.606 7.200 5.004 1.00 73.42 C ATOM 1186 CZ TYR A 77 -0.206 7.595 3.746 1.00 32.33 C ATOM 1187 OH TYR A 77 0.037 8.928 3.485 1.00 33.24 O ATOM 0 H TYR A 77 0.493 1.963 2.754 1.00 23.40 H new ATOM 0 HA TYR A 77 0.880 3.036 5.488 1.00 14.32 H new ATOM 0 HB2 TYR A 77 -1.587 3.035 3.715 1.00 63.32 H new ATOM 0 HB3 TYR A 77 -1.624 3.369 5.435 1.00 63.32 H new ATOM 0 HD1 TYR A 77 -0.183 4.602 2.216 1.00 11.55 H new ATOM 0 HD2 TYR A 77 -1.175 5.562 6.244 1.00 63.41 H new ATOM 0 HE1 TYR A 77 0.264 6.971 1.760 1.00 1.42 H new ATOM 0 HE2 TYR A 77 -0.722 7.931 5.790 1.00 73.42 H new ATOM 0 HH TYR A 77 -0.119 9.454 4.297 1.00 33.24 H new ATOM 1197 N LYS A 78 -0.291 1.017 6.519 1.00 74.52 N ATOM 1198 CA LYS A 78 -0.668 -0.255 7.116 1.00 73.33 C ATOM 1199 C LYS A 78 -1.824 -0.044 8.085 1.00 3.05 C ATOM 1200 O LYS A 78 -1.718 0.756 9.024 1.00 35.44 O ATOM 1201 CB LYS A 78 0.534 -0.872 7.852 1.00 54.11 C ATOM 1202 CG LYS A 78 0.249 -2.240 8.472 1.00 34.23 C ATOM 1203 CD LYS A 78 1.478 -2.815 9.178 1.00 32.21 C ATOM 1204 CE LYS A 78 2.648 -3.017 8.219 1.00 2.54 C ATOM 1205 NZ LYS A 78 3.845 -3.567 8.908 1.00 12.32 N ATOM 0 H LYS A 78 -0.133 1.764 7.195 1.00 74.52 H new ATOM 0 HA LYS A 78 -0.983 -0.939 6.328 1.00 73.33 H new ATOM 0 HB2 LYS A 78 1.365 -0.968 7.153 1.00 54.11 H new ATOM 0 HB3 LYS A 78 0.856 -0.188 8.638 1.00 54.11 H new ATOM 0 HG2 LYS A 78 -0.571 -2.151 9.185 1.00 34.23 H new ATOM 0 HG3 LYS A 78 -0.078 -2.930 7.694 1.00 34.23 H new ATOM 0 HD2 LYS A 78 1.781 -2.144 9.982 1.00 32.21 H new ATOM 0 HD3 LYS A 78 1.218 -3.768 9.638 1.00 32.21 H new ATOM 0 HE2 LYS A 78 2.348 -3.693 7.419 1.00 2.54 H new ATOM 0 HE3 LYS A 78 2.903 -2.065 7.753 1.00 2.54 H new ATOM 0 HZ1 LYS A 78 4.301 -4.276 8.299 1.00 12.32 H new ATOM 0 HZ2 LYS A 78 4.516 -2.797 9.106 1.00 12.32 H new ATOM 0 HZ3 LYS A 78 3.557 -4.013 9.802 1.00 12.32 H new ATOM 1219 N ILE A 79 -2.933 -0.737 7.847 1.00 31.21 N ATOM 1220 CA ILE A 79 -4.066 -0.696 8.762 1.00 2.22 C ATOM 1221 C ILE A 79 -3.772 -1.611 9.950 1.00 3.12 C ATOM 1222 O ILE A 79 -4.302 -2.720 10.054 1.00 53.11 O ATOM 1223 CB ILE A 79 -5.394 -1.121 8.070 1.00 33.21 C ATOM 1224 CG1 ILE A 79 -5.639 -0.279 6.804 1.00 1.52 C ATOM 1225 CG2 ILE A 79 -6.576 -0.987 9.036 1.00 0.25 C ATOM 1226 CD1 ILE A 79 -5.794 1.206 7.070 1.00 13.43 C ATOM 0 H ILE A 79 -3.070 -1.332 7.030 1.00 31.21 H new ATOM 0 HA ILE A 79 -4.200 0.332 9.099 1.00 2.22 H new ATOM 0 HB ILE A 79 -5.305 -2.167 7.778 1.00 33.21 H new ATOM 0 HG12 ILE A 79 -4.809 -0.429 6.114 1.00 1.52 H new ATOM 0 HG13 ILE A 79 -6.537 -0.644 6.306 1.00 1.52 H new ATOM 0 HG21 ILE A 79 -7.494 -1.289 8.532 1.00 0.25 H new ATOM 0 HG22 ILE A 79 -6.411 -1.626 9.903 1.00 0.25 H new ATOM 0 HG23 ILE A 79 -6.665 0.050 9.361 1.00 0.25 H new ATOM 0 HD11 ILE A 79 -5.963 1.729 6.129 1.00 13.43 H new ATOM 0 HD12 ILE A 79 -6.643 1.370 7.734 1.00 13.43 H new ATOM 0 HD13 ILE A 79 -4.887 1.588 7.539 1.00 13.43 H new ATOM 1238 N ASN A 80 -2.870 -1.156 10.814 1.00 10.24 N ATOM 1239 CA ASN A 80 -2.424 -1.948 11.957 1.00 5.04 C ATOM 1240 C ASN A 80 -3.520 -2.021 13.011 1.00 32.23 C ATOM 1241 O ASN A 80 -3.625 -3.003 13.747 1.00 21.52 O ATOM 1242 CB ASN A 80 -1.151 -1.345 12.570 1.00 23.41 C ATOM 1243 CG ASN A 80 -1.417 -0.046 13.316 1.00 55.33 C ATOM 1244 OD1 ASN A 80 -1.430 1.032 12.725 1.00 31.33 O ATOM 1245 ND2 ASN A 80 -1.631 -0.144 14.621 1.00 31.53 N ATOM 0 H ASN A 80 -2.431 -0.238 10.744 1.00 10.24 H new ATOM 0 HA ASN A 80 -2.201 -2.956 11.606 1.00 5.04 H new ATOM 0 HB2 ASN A 80 -0.705 -2.067 13.254 1.00 23.41 H new ATOM 0 HB3 ASN A 80 -0.423 -1.163 11.779 1.00 23.41 H new ATOM 0 HD21 ASN A 80 -1.815 0.694 15.172 1.00 31.53 H new ATOM 0 HD22 ASN A 80 -1.612 -1.058 15.074 1.00 31.53 H new ATOM 1252 N ILE A 81 -4.332 -0.972 13.080 1.00 74.02 N ATOM 1253 CA ILE A 81 -5.426 -0.914 14.037 1.00 2.31 C ATOM 1254 C ILE A 81 -6.426 -2.033 13.753 1.00 54.33 C ATOM 1255 O ILE A 81 -7.243 -1.931 12.835 1.00 70.35 O ATOM 1256 CB ILE A 81 -6.143 0.463 14.003 1.00 65.34 C ATOM 1257 CG1 ILE A 81 -5.138 1.600 14.266 1.00 63.31 C ATOM 1258 CG2 ILE A 81 -7.282 0.503 15.023 1.00 22.22 C ATOM 1259 CD1 ILE A 81 -5.751 2.988 14.234 1.00 74.02 C ATOM 0 H ILE A 81 -4.251 -0.149 12.482 1.00 74.02 H new ATOM 0 HA ILE A 81 -5.006 -1.046 15.034 1.00 2.31 H new ATOM 0 HB ILE A 81 -6.570 0.604 13.010 1.00 65.34 H new ATOM 0 HG12 ILE A 81 -4.673 1.442 15.239 1.00 63.31 H new ATOM 0 HG13 ILE A 81 -4.344 1.548 13.521 1.00 63.31 H new ATOM 0 HG21 ILE A 81 -7.772 1.476 14.984 1.00 22.22 H new ATOM 0 HG22 ILE A 81 -8.006 -0.278 14.790 1.00 22.22 H new ATOM 0 HG23 ILE A 81 -6.881 0.339 16.023 1.00 22.22 H new ATOM 0 HD11 ILE A 81 -4.978 3.732 14.428 1.00 74.02 H new ATOM 0 HD12 ILE A 81 -6.191 3.169 13.253 1.00 74.02 H new ATOM 0 HD13 ILE A 81 -6.525 3.061 14.998 1.00 74.02 H new ATOM 1271 N GLU A 82 -6.333 -3.105 14.538 1.00 70.31 N ATOM 1272 CA GLU A 82 -7.177 -4.289 14.362 1.00 42.04 C ATOM 1273 C GLU A 82 -8.659 -3.924 14.419 1.00 71.55 C ATOM 1274 O GLU A 82 -9.501 -4.579 13.800 1.00 70.32 O ATOM 1275 CB GLU A 82 -6.852 -5.329 15.437 1.00 1.21 C ATOM 1276 CG GLU A 82 -7.010 -4.808 16.861 1.00 31.14 C ATOM 1277 CD GLU A 82 -6.764 -5.880 17.905 1.00 42.32 C ATOM 1278 OE1 GLU A 82 -5.598 -6.046 18.330 1.00 74.43 O ATOM 1279 OE2 GLU A 82 -7.732 -6.559 18.304 1.00 43.41 O ATOM 0 H GLU A 82 -5.673 -3.179 15.312 1.00 70.31 H new ATOM 0 HA GLU A 82 -6.969 -4.710 13.378 1.00 42.04 H new ATOM 0 HB2 GLU A 82 -7.502 -6.194 15.302 1.00 1.21 H new ATOM 0 HB3 GLU A 82 -5.828 -5.675 15.298 1.00 1.21 H new ATOM 0 HG2 GLU A 82 -6.315 -3.984 17.021 1.00 31.14 H new ATOM 0 HG3 GLU A 82 -8.015 -4.407 16.988 1.00 31.14 H new ATOM 1286 N ASP A 83 -8.962 -2.857 15.145 1.00 60.31 N ATOM 1287 CA ASP A 83 -10.334 -2.396 15.322 1.00 72.52 C ATOM 1288 C ASP A 83 -10.851 -1.787 14.024 1.00 74.45 C ATOM 1289 O ASP A 83 -12.055 -1.743 13.772 1.00 72.32 O ATOM 1290 CB ASP A 83 -10.390 -1.347 16.441 1.00 12.23 C ATOM 1291 CG ASP A 83 -9.664 -1.795 17.698 1.00 1.04 C ATOM 1292 OD1 ASP A 83 -10.264 -2.539 18.506 1.00 70.43 O ATOM 1293 OD2 ASP A 83 -8.484 -1.418 17.880 1.00 33.23 O ATOM 0 H ASP A 83 -8.267 -2.287 15.627 1.00 60.31 H new ATOM 0 HA ASP A 83 -10.960 -3.246 15.592 1.00 72.52 H new ATOM 0 HB2 ASP A 83 -9.950 -0.416 16.084 1.00 12.23 H new ATOM 0 HB3 ASP A 83 -11.431 -1.135 16.683 1.00 12.23 H new ATOM 1298 N ASN A 84 -9.916 -1.322 13.203 1.00 65.32 N ATOM 1299 CA ASN A 84 -10.236 -0.629 11.955 1.00 61.44 C ATOM 1300 C ASN A 84 -10.010 -1.533 10.744 1.00 62.32 C ATOM 1301 O ASN A 84 -9.966 -1.058 9.608 1.00 75.22 O ATOM 1302 CB ASN A 84 -9.378 0.640 11.815 1.00 45.40 C ATOM 1303 CG ASN A 84 -9.813 1.790 12.724 1.00 60.41 C ATOM 1304 OD1 ASN A 84 -9.623 2.958 12.384 1.00 34.21 O ATOM 1305 ND2 ASN A 84 -10.390 1.483 13.876 1.00 33.51 N ATOM 0 H ASN A 84 -8.916 -1.413 13.381 1.00 65.32 H new ATOM 0 HA ASN A 84 -11.290 -0.355 11.990 1.00 61.44 H new ATOM 0 HB2 ASN A 84 -8.340 0.390 12.034 1.00 45.40 H new ATOM 0 HB3 ASN A 84 -9.413 0.977 10.779 1.00 45.40 H new ATOM 0 HD21 ASN A 84 -10.691 2.224 14.509 1.00 33.51 H new ATOM 0 HD22 ASN A 84 -10.534 0.506 14.130 1.00 33.51 H new ATOM 1312 N GLN A 85 -9.891 -2.840 10.980 1.00 72.02 N ATOM 1313 CA GLN A 85 -9.673 -3.796 9.889 1.00 5.14 C ATOM 1314 C GLN A 85 -10.932 -3.958 9.041 1.00 12.40 C ATOM 1315 O GLN A 85 -10.948 -4.732 8.082 1.00 61.40 O ATOM 1316 CB GLN A 85 -9.199 -5.153 10.425 1.00 13.41 C ATOM 1317 CG GLN A 85 -7.749 -5.145 10.900 1.00 51.21 C ATOM 1318 CD GLN A 85 -7.284 -6.502 11.402 1.00 50.11 C ATOM 1319 OE1 GLN A 85 -8.070 -7.291 11.922 1.00 61.41 O ATOM 1320 NE2 GLN A 85 -5.997 -6.782 11.253 1.00 51.51 N ATOM 0 H GLN A 85 -9.941 -3.260 11.908 1.00 72.02 H new ATOM 0 HA GLN A 85 -8.885 -3.394 9.252 1.00 5.14 H new ATOM 0 HB2 GLN A 85 -9.843 -5.453 11.252 1.00 13.41 H new ATOM 0 HB3 GLN A 85 -9.313 -5.904 9.643 1.00 13.41 H new ATOM 0 HG2 GLN A 85 -7.105 -4.826 10.080 1.00 51.21 H new ATOM 0 HG3 GLN A 85 -7.637 -4.410 11.697 1.00 51.21 H new ATOM 0 HE21 GLN A 85 -5.374 -6.102 10.817 1.00 51.51 H new ATOM 0 HE22 GLN A 85 -5.629 -7.677 11.575 1.00 51.51 H new ATOM 1329 N ASP A 86 -11.975 -3.211 9.397 1.00 11.24 N ATOM 1330 CA ASP A 86 -13.196 -3.125 8.600 1.00 64.04 C ATOM 1331 C ASP A 86 -12.855 -2.909 7.127 1.00 2.55 C ATOM 1332 O ASP A 86 -13.487 -3.485 6.241 1.00 71.23 O ATOM 1333 CB ASP A 86 -14.073 -1.974 9.116 1.00 11.31 C ATOM 1334 CG ASP A 86 -15.337 -1.768 8.291 1.00 51.25 C ATOM 1335 OD1 ASP A 86 -16.286 -2.564 8.443 1.00 31.11 O ATOM 1336 OD2 ASP A 86 -15.391 -0.799 7.505 1.00 52.15 O ATOM 0 H ASP A 86 -11.997 -2.648 10.247 1.00 11.24 H new ATOM 0 HA ASP A 86 -13.746 -4.062 8.693 1.00 64.04 H new ATOM 0 HB2 ASP A 86 -14.351 -2.173 10.151 1.00 11.31 H new ATOM 0 HB3 ASP A 86 -13.491 -1.053 9.114 1.00 11.31 H new ATOM 1341 N VAL A 87 -11.817 -2.104 6.888 1.00 63.45 N ATOM 1342 CA VAL A 87 -11.333 -1.821 5.535 1.00 62.11 C ATOM 1343 C VAL A 87 -11.067 -3.123 4.778 1.00 11.11 C ATOM 1344 O VAL A 87 -11.438 -3.272 3.608 1.00 64.41 O ATOM 1345 CB VAL A 87 -10.023 -0.987 5.568 1.00 74.22 C ATOM 1346 CG1 VAL A 87 -9.597 -0.574 4.161 1.00 10.23 C ATOM 1347 CG2 VAL A 87 -10.177 0.237 6.464 1.00 4.42 C ATOM 0 H VAL A 87 -11.291 -1.632 7.623 1.00 63.45 H new ATOM 0 HA VAL A 87 -12.108 -1.248 5.027 1.00 62.11 H new ATOM 0 HB VAL A 87 -9.239 -1.619 5.986 1.00 74.22 H new ATOM 0 HG11 VAL A 87 -8.677 0.008 4.216 1.00 10.23 H new ATOM 0 HG12 VAL A 87 -9.427 -1.465 3.556 1.00 10.23 H new ATOM 0 HG13 VAL A 87 -10.382 0.030 3.706 1.00 10.23 H new ATOM 0 HG21 VAL A 87 -9.246 0.803 6.469 1.00 4.42 H new ATOM 0 HG22 VAL A 87 -10.982 0.866 6.085 1.00 4.42 H new ATOM 0 HG23 VAL A 87 -10.413 -0.082 7.479 1.00 4.42 H new ATOM 1357 N ALA A 88 -10.443 -4.075 5.470 1.00 73.15 N ATOM 1358 CA ALA A 88 -10.119 -5.369 4.883 1.00 74.35 C ATOM 1359 C ALA A 88 -11.395 -6.086 4.445 1.00 45.51 C ATOM 1360 O ALA A 88 -11.535 -6.490 3.285 1.00 43.42 O ATOM 1361 CB ALA A 88 -9.335 -6.224 5.879 1.00 63.03 C ATOM 0 H ALA A 88 -10.152 -3.971 6.442 1.00 73.15 H new ATOM 0 HA ALA A 88 -9.495 -5.208 4.004 1.00 74.35 H new ATOM 0 HB1 ALA A 88 -9.100 -7.187 5.426 1.00 63.03 H new ATOM 0 HB2 ALA A 88 -8.410 -5.714 6.147 1.00 63.03 H new ATOM 0 HB3 ALA A 88 -9.935 -6.381 6.775 1.00 63.03 H new ATOM 1367 N THR A 89 -12.335 -6.215 5.375 1.00 63.43 N ATOM 1368 CA THR A 89 -13.609 -6.870 5.103 1.00 3.53 C ATOM 1369 C THR A 89 -14.360 -6.161 3.970 1.00 71.15 C ATOM 1370 O THR A 89 -15.026 -6.802 3.155 1.00 23.21 O ATOM 1371 CB THR A 89 -14.479 -6.904 6.381 1.00 14.31 C ATOM 1372 OG1 THR A 89 -13.734 -7.518 7.446 1.00 55.11 O ATOM 1373 CG2 THR A 89 -15.777 -7.680 6.160 1.00 22.30 C ATOM 0 H THR A 89 -12.237 -5.872 6.331 1.00 63.43 H new ATOM 0 HA THR A 89 -13.403 -7.893 4.788 1.00 3.53 H new ATOM 0 HB THR A 89 -14.739 -5.878 6.640 1.00 14.31 H new ATOM 0 HG1 THR A 89 -14.282 -7.540 8.258 1.00 55.11 H new ATOM 0 HG21 THR A 89 -16.361 -7.682 7.080 1.00 22.30 H new ATOM 0 HG22 THR A 89 -16.353 -7.206 5.365 1.00 22.30 H new ATOM 0 HG23 THR A 89 -15.544 -8.706 5.877 1.00 22.30 H new ATOM 1381 N GLN A 90 -14.220 -4.837 3.909 1.00 40.32 N ATOM 1382 CA GLN A 90 -14.874 -4.031 2.879 1.00 24.01 C ATOM 1383 C GLN A 90 -14.353 -4.385 1.489 1.00 31.21 C ATOM 1384 O GLN A 90 -15.125 -4.764 0.608 1.00 10.13 O ATOM 1385 CB GLN A 90 -14.671 -2.537 3.166 1.00 55.20 C ATOM 1386 CG GLN A 90 -15.462 -2.038 4.370 1.00 60.15 C ATOM 1387 CD GLN A 90 -16.961 -2.070 4.124 1.00 21.50 C ATOM 1388 OE1 GLN A 90 -17.627 -3.082 4.358 1.00 21.03 O ATOM 1389 NE2 GLN A 90 -17.504 -0.961 3.646 1.00 43.14 N ATOM 0 H GLN A 90 -13.656 -4.297 4.565 1.00 40.32 H new ATOM 0 HA GLN A 90 -15.941 -4.251 2.902 1.00 24.01 H new ATOM 0 HB2 GLN A 90 -13.611 -2.348 3.334 1.00 55.20 H new ATOM 0 HB3 GLN A 90 -14.962 -1.963 2.286 1.00 55.20 H new ATOM 0 HG2 GLN A 90 -15.225 -2.652 5.239 1.00 60.15 H new ATOM 0 HG3 GLN A 90 -15.156 -1.019 4.607 1.00 60.15 H new ATOM 0 HE21 GLN A 90 -16.920 -0.144 3.465 1.00 43.14 H new ATOM 0 HE22 GLN A 90 -18.506 -0.923 3.459 1.00 43.14 H new ATOM 1398 N TYR A 91 -13.041 -4.279 1.296 1.00 55.42 N ATOM 1399 CA TYR A 91 -12.438 -4.580 -0.005 1.00 43.24 C ATOM 1400 C TYR A 91 -12.443 -6.086 -0.281 1.00 22.32 C ATOM 1401 O TYR A 91 -12.247 -6.516 -1.421 1.00 23.12 O ATOM 1402 CB TYR A 91 -11.016 -4.008 -0.096 1.00 3.31 C ATOM 1403 CG TYR A 91 -10.982 -2.489 -0.189 1.00 21.23 C ATOM 1404 CD1 TYR A 91 -11.029 -1.698 0.958 1.00 55.00 C ATOM 1405 CD2 TYR A 91 -10.907 -1.843 -1.423 1.00 54.40 C ATOM 1406 CE1 TYR A 91 -11.002 -0.319 0.877 1.00 21.21 C ATOM 1407 CE2 TYR A 91 -10.879 -0.465 -1.507 1.00 55.32 C ATOM 1408 CZ TYR A 91 -10.926 0.292 -0.356 1.00 13.13 C ATOM 1409 OH TYR A 91 -10.898 1.666 -0.436 1.00 50.14 O ATOM 0 H TYR A 91 -12.378 -3.990 2.015 1.00 55.42 H new ATOM 0 HA TYR A 91 -13.044 -4.099 -0.773 1.00 43.24 H new ATOM 0 HB2 TYR A 91 -10.448 -4.324 0.779 1.00 3.31 H new ATOM 0 HB3 TYR A 91 -10.518 -4.430 -0.969 1.00 3.31 H new ATOM 0 HD1 TYR A 91 -11.088 -2.171 1.927 1.00 55.00 H new ATOM 0 HD2 TYR A 91 -10.870 -2.431 -2.328 1.00 54.40 H new ATOM 0 HE1 TYR A 91 -11.040 0.278 1.776 1.00 21.21 H new ATOM 0 HE2 TYR A 91 -10.820 0.018 -2.471 1.00 55.32 H new ATOM 0 HH TYR A 91 -10.842 1.938 -1.376 1.00 50.14 H new ATOM 1419 N GLY A 92 -12.664 -6.880 0.765 1.00 11.25 N ATOM 1420 CA GLY A 92 -12.815 -8.319 0.602 1.00 73.02 C ATOM 1421 C GLY A 92 -11.501 -9.063 0.725 1.00 62.22 C ATOM 1422 O GLY A 92 -11.238 -10.009 -0.023 1.00 40.13 O ATOM 0 H GLY A 92 -12.742 -6.551 1.727 1.00 11.25 H new ATOM 0 HA2 GLY A 92 -13.512 -8.694 1.352 1.00 73.02 H new ATOM 0 HA3 GLY A 92 -13.255 -8.526 -0.374 1.00 73.02 H new ATOM 1426 N VAL A 93 -10.675 -8.630 1.670 1.00 70.03 N ATOM 1427 CA VAL A 93 -9.396 -9.275 1.940 1.00 33.24 C ATOM 1428 C VAL A 93 -9.612 -10.685 2.502 1.00 71.42 C ATOM 1429 O VAL A 93 -9.825 -10.867 3.706 1.00 31.21 O ATOM 1430 CB VAL A 93 -8.539 -8.424 2.919 1.00 64.51 C ATOM 1431 CG1 VAL A 93 -7.244 -9.142 3.289 1.00 64.32 C ATOM 1432 CG2 VAL A 93 -8.236 -7.051 2.313 1.00 42.34 C ATOM 0 H VAL A 93 -10.871 -7.827 2.267 1.00 70.03 H new ATOM 0 HA VAL A 93 -8.854 -9.357 0.998 1.00 33.24 H new ATOM 0 HB VAL A 93 -9.117 -8.283 3.833 1.00 64.51 H new ATOM 0 HG11 VAL A 93 -6.667 -8.521 3.975 1.00 64.32 H new ATOM 0 HG12 VAL A 93 -7.479 -10.092 3.770 1.00 64.32 H new ATOM 0 HG13 VAL A 93 -6.660 -9.326 2.387 1.00 64.32 H new ATOM 0 HG21 VAL A 93 -7.635 -6.469 3.012 1.00 42.34 H new ATOM 0 HG22 VAL A 93 -7.686 -7.178 1.381 1.00 42.34 H new ATOM 0 HG23 VAL A 93 -9.171 -6.527 2.114 1.00 42.34 H new ATOM 1442 N SER A 94 -9.602 -11.668 1.608 1.00 53.13 N ATOM 1443 CA SER A 94 -9.769 -13.068 1.986 1.00 42.32 C ATOM 1444 C SER A 94 -8.401 -13.690 2.259 1.00 43.31 C ATOM 1445 O SER A 94 -8.237 -14.510 3.168 1.00 64.21 O ATOM 1446 CB SER A 94 -10.501 -13.826 0.869 1.00 22.45 C ATOM 1447 OG SER A 94 -10.893 -15.123 1.287 1.00 13.34 O ATOM 0 H SER A 94 -9.479 -11.519 0.607 1.00 53.13 H new ATOM 0 HA SER A 94 -10.369 -13.133 2.894 1.00 42.32 H new ATOM 0 HB2 SER A 94 -11.381 -13.261 0.562 1.00 22.45 H new ATOM 0 HB3 SER A 94 -9.852 -13.905 -0.003 1.00 22.45 H new ATOM 0 HG SER A 94 -11.357 -15.577 0.553 1.00 13.34 H new ATOM 1453 N ALA A 95 -7.416 -13.285 1.466 1.00 41.22 N ATOM 1454 CA ALA A 95 -6.037 -13.691 1.681 1.00 3.21 C ATOM 1455 C ALA A 95 -5.394 -12.750 2.690 1.00 12.43 C ATOM 1456 O ALA A 95 -5.583 -11.539 2.605 1.00 25.34 O ATOM 1457 CB ALA A 95 -5.267 -13.682 0.366 1.00 73.44 C ATOM 0 H ALA A 95 -7.551 -12.671 0.663 1.00 41.22 H new ATOM 0 HA ALA A 95 -6.013 -14.708 2.073 1.00 3.21 H new ATOM 0 HB1 ALA A 95 -4.237 -13.988 0.546 1.00 73.44 H new ATOM 0 HB2 ALA A 95 -5.735 -14.374 -0.334 1.00 73.44 H new ATOM 0 HB3 ALA A 95 -5.278 -12.677 -0.055 1.00 73.44 H new ATOM 1463 N ILE A 96 -4.645 -13.297 3.638 1.00 20.44 N ATOM 1464 CA ILE A 96 -4.047 -12.485 4.698 1.00 53.44 C ATOM 1465 C ILE A 96 -3.123 -11.396 4.119 1.00 43.51 C ATOM 1466 O ILE A 96 -3.371 -10.207 4.327 1.00 52.31 O ATOM 1467 CB ILE A 96 -3.279 -13.352 5.731 1.00 63.23 C ATOM 1468 CG1 ILE A 96 -4.214 -14.401 6.359 1.00 22.02 C ATOM 1469 CG2 ILE A 96 -2.649 -12.476 6.812 1.00 60.32 C ATOM 1470 CD1 ILE A 96 -5.397 -13.813 7.108 1.00 0.23 C ATOM 0 H ILE A 96 -4.436 -14.294 3.698 1.00 20.44 H new ATOM 0 HA ILE A 96 -4.870 -11.996 5.220 1.00 53.44 H new ATOM 0 HB ILE A 96 -2.478 -13.875 5.208 1.00 63.23 H new ATOM 0 HG12 ILE A 96 -4.586 -15.057 5.572 1.00 22.02 H new ATOM 0 HG13 ILE A 96 -3.637 -15.022 7.044 1.00 22.02 H new ATOM 0 HG21 ILE A 96 -2.116 -13.105 7.525 1.00 60.32 H new ATOM 0 HG22 ILE A 96 -1.951 -11.776 6.352 1.00 60.32 H new ATOM 0 HG23 ILE A 96 -3.430 -11.921 7.331 1.00 60.32 H new ATOM 0 HD11 ILE A 96 -6.005 -14.619 7.519 1.00 0.23 H new ATOM 0 HD12 ILE A 96 -5.036 -13.181 7.919 1.00 0.23 H new ATOM 0 HD13 ILE A 96 -6.001 -13.216 6.424 1.00 0.23 H new ATOM 1482 N PRO A 97 -2.068 -11.762 3.352 1.00 21.22 N ATOM 1483 CA PRO A 97 -1.128 -10.779 2.815 1.00 23.20 C ATOM 1484 C PRO A 97 -1.663 -10.093 1.553 1.00 34.15 C ATOM 1485 O PRO A 97 -1.209 -10.368 0.440 1.00 21.42 O ATOM 1486 CB PRO A 97 0.115 -11.625 2.513 1.00 73.40 C ATOM 1487 CG PRO A 97 -0.427 -12.969 2.152 1.00 63.23 C ATOM 1488 CD PRO A 97 -1.713 -13.139 2.932 1.00 73.14 C ATOM 0 HA PRO A 97 -0.936 -9.958 3.506 1.00 23.20 H new ATOM 0 HB2 PRO A 97 0.696 -11.199 1.695 1.00 73.40 H new ATOM 0 HB3 PRO A 97 0.776 -11.683 3.378 1.00 73.40 H new ATOM 0 HG2 PRO A 97 -0.612 -13.037 1.080 1.00 63.23 H new ATOM 0 HG3 PRO A 97 0.286 -13.755 2.403 1.00 63.23 H new ATOM 0 HD2 PRO A 97 -2.496 -13.582 2.317 1.00 73.14 H new ATOM 0 HD3 PRO A 97 -1.574 -13.794 3.792 1.00 73.14 H new ATOM 1496 N THR A 98 -2.649 -9.220 1.730 1.00 60.43 N ATOM 1497 CA THR A 98 -3.204 -8.454 0.618 1.00 11.02 C ATOM 1498 C THR A 98 -2.681 -7.017 0.634 1.00 62.43 C ATOM 1499 O THR A 98 -2.641 -6.366 1.685 1.00 32.02 O ATOM 1500 CB THR A 98 -4.752 -8.448 0.647 1.00 62.40 C ATOM 1501 OG1 THR A 98 -5.244 -9.796 0.596 1.00 24.03 O ATOM 1502 CG2 THR A 98 -5.330 -7.658 -0.525 1.00 12.44 C ATOM 0 H THR A 98 -3.081 -9.025 2.633 1.00 60.43 H new ATOM 0 HA THR A 98 -2.881 -8.941 -0.302 1.00 11.02 H new ATOM 0 HB THR A 98 -5.066 -7.968 1.574 1.00 62.40 H new ATOM 0 HG1 THR A 98 -5.116 -10.224 1.468 1.00 24.03 H new ATOM 0 HG21 THR A 98 -6.419 -7.675 -0.473 1.00 12.44 H new ATOM 0 HG22 THR A 98 -4.980 -6.627 -0.477 1.00 12.44 H new ATOM 0 HG23 THR A 98 -5.004 -8.108 -1.463 1.00 12.44 H new ATOM 1510 N ILE A 99 -2.248 -6.551 -0.535 1.00 42.04 N ATOM 1511 CA ILE A 99 -1.777 -5.182 -0.714 1.00 41.33 C ATOM 1512 C ILE A 99 -2.691 -4.442 -1.693 1.00 23.45 C ATOM 1513 O ILE A 99 -2.860 -4.864 -2.838 1.00 32.21 O ATOM 1514 CB ILE A 99 -0.312 -5.133 -1.249 1.00 11.52 C ATOM 1515 CG1 ILE A 99 0.698 -5.548 -0.159 1.00 11.12 C ATOM 1516 CG2 ILE A 99 0.035 -3.737 -1.775 1.00 21.13 C ATOM 1517 CD1 ILE A 99 0.685 -7.023 0.187 1.00 73.23 C ATOM 0 H ILE A 99 -2.214 -7.114 -1.385 1.00 42.04 H new ATOM 0 HA ILE A 99 -1.798 -4.701 0.264 1.00 41.33 H new ATOM 0 HB ILE A 99 -0.245 -5.845 -2.072 1.00 11.52 H new ATOM 0 HG12 ILE A 99 1.700 -5.275 -0.489 1.00 11.12 H new ATOM 0 HG13 ILE A 99 0.492 -4.975 0.745 1.00 11.12 H new ATOM 0 HG21 ILE A 99 1.061 -3.731 -2.142 1.00 21.13 H new ATOM 0 HG22 ILE A 99 -0.642 -3.476 -2.588 1.00 21.13 H new ATOM 0 HG23 ILE A 99 -0.067 -3.009 -0.970 1.00 21.13 H new ATOM 0 HD11 ILE A 99 1.426 -7.222 0.961 1.00 73.23 H new ATOM 0 HD12 ILE A 99 -0.304 -7.303 0.551 1.00 73.23 H new ATOM 0 HD13 ILE A 99 0.923 -7.607 -0.702 1.00 73.23 H new ATOM 1529 N LEU A 100 -3.286 -3.351 -1.232 1.00 73.33 N ATOM 1530 CA LEU A 100 -4.113 -2.502 -2.082 1.00 54.24 C ATOM 1531 C LEU A 100 -3.298 -1.310 -2.569 1.00 52.12 C ATOM 1532 O LEU A 100 -2.737 -0.567 -1.762 1.00 40.25 O ATOM 1533 CB LEU A 100 -5.343 -2.005 -1.310 1.00 73.12 C ATOM 1534 CG LEU A 100 -6.283 -3.098 -0.781 1.00 21.32 C ATOM 1535 CD1 LEU A 100 -7.451 -2.481 -0.018 1.00 41.41 C ATOM 1536 CD2 LEU A 100 -6.792 -3.976 -1.919 1.00 13.51 C ATOM 0 H LEU A 100 -3.211 -3.030 -0.267 1.00 73.33 H new ATOM 0 HA LEU A 100 -4.449 -3.087 -2.938 1.00 54.24 H new ATOM 0 HB2 LEU A 100 -5.002 -1.405 -0.466 1.00 73.12 H new ATOM 0 HB3 LEU A 100 -5.915 -1.343 -1.961 1.00 73.12 H new ATOM 0 HG LEU A 100 -5.716 -3.727 -0.094 1.00 21.32 H new ATOM 0 HD11 LEU A 100 -8.105 -3.272 0.348 1.00 41.41 H new ATOM 0 HD12 LEU A 100 -7.071 -1.905 0.826 1.00 41.41 H new ATOM 0 HD13 LEU A 100 -8.013 -1.824 -0.682 1.00 41.41 H new ATOM 0 HD21 LEU A 100 -7.456 -4.742 -1.518 1.00 13.51 H new ATOM 0 HD22 LEU A 100 -7.337 -3.362 -2.636 1.00 13.51 H new ATOM 0 HD23 LEU A 100 -5.947 -4.452 -2.417 1.00 13.51 H new ATOM 1548 N MET A 101 -3.214 -1.139 -3.882 1.00 3.21 N ATOM 1549 CA MET A 101 -2.535 0.016 -4.462 1.00 32.15 C ATOM 1550 C MET A 101 -3.565 1.100 -4.787 1.00 55.14 C ATOM 1551 O MET A 101 -4.669 0.798 -5.246 1.00 40.04 O ATOM 1552 CB MET A 101 -1.760 -0.392 -5.734 1.00 55.41 C ATOM 1553 CG MET A 101 -0.779 -1.546 -5.529 1.00 54.53 C ATOM 1554 SD MET A 101 0.317 -1.792 -6.941 1.00 44.53 S ATOM 1555 CE MET A 101 1.242 -0.260 -6.923 1.00 25.14 C ATOM 0 H MET A 101 -3.607 -1.785 -4.567 1.00 3.21 H new ATOM 0 HA MET A 101 -1.817 0.407 -3.741 1.00 32.15 H new ATOM 0 HB2 MET A 101 -2.475 -0.672 -6.507 1.00 55.41 H new ATOM 0 HB3 MET A 101 -1.212 0.474 -6.105 1.00 55.41 H new ATOM 0 HG2 MET A 101 -0.180 -1.354 -4.639 1.00 54.53 H new ATOM 0 HG3 MET A 101 -1.338 -2.463 -5.345 1.00 54.53 H new ATOM 0 HE1 MET A 101 2.285 -0.462 -7.168 1.00 25.14 H new ATOM 0 HE2 MET A 101 0.822 0.427 -7.658 1.00 25.14 H new ATOM 0 HE3 MET A 101 1.183 0.189 -5.932 1.00 25.14 H new ATOM 1565 N PHE A 102 -3.210 2.354 -4.530 1.00 62.22 N ATOM 1566 CA PHE A 102 -4.043 3.503 -4.894 1.00 12.22 C ATOM 1567 C PHE A 102 -3.148 4.608 -5.441 1.00 62.32 C ATOM 1568 O PHE A 102 -1.998 4.729 -5.024 1.00 71.33 O ATOM 1569 CB PHE A 102 -4.821 4.025 -3.675 1.00 61.30 C ATOM 1570 CG PHE A 102 -5.750 3.010 -3.060 1.00 42.33 C ATOM 1571 CD1 PHE A 102 -6.976 2.726 -3.644 1.00 24.41 C ATOM 1572 CD2 PHE A 102 -5.397 2.340 -1.896 1.00 51.14 C ATOM 1573 CE1 PHE A 102 -7.830 1.797 -3.082 1.00 22.22 C ATOM 1574 CE2 PHE A 102 -6.248 1.412 -1.330 1.00 71.14 C ATOM 1575 CZ PHE A 102 -7.466 1.139 -1.924 1.00 72.21 C ATOM 0 H PHE A 102 -2.338 2.607 -4.064 1.00 62.22 H new ATOM 0 HA PHE A 102 -4.764 3.192 -5.650 1.00 12.22 H new ATOM 0 HB2 PHE A 102 -4.110 4.357 -2.918 1.00 61.30 H new ATOM 0 HB3 PHE A 102 -5.400 4.899 -3.974 1.00 61.30 H new ATOM 0 HD1 PHE A 102 -7.266 3.238 -4.550 1.00 24.41 H new ATOM 0 HD2 PHE A 102 -4.446 2.547 -1.428 1.00 51.14 H new ATOM 0 HE1 PHE A 102 -8.781 1.586 -3.548 1.00 22.22 H new ATOM 0 HE2 PHE A 102 -5.962 0.899 -0.423 1.00 71.14 H new ATOM 0 HZ PHE A 102 -8.132 0.412 -1.483 1.00 72.21 H new ATOM 1585 N LYS A 103 -3.645 5.407 -6.385 1.00 43.33 N ATOM 1586 CA LYS A 103 -2.848 6.523 -6.905 1.00 23.44 C ATOM 1587 C LYS A 103 -3.733 7.697 -7.295 1.00 14.13 C ATOM 1588 O LYS A 103 -4.628 7.560 -8.128 1.00 11.41 O ATOM 1589 CB LYS A 103 -1.983 6.076 -8.095 1.00 30.22 C ATOM 1590 CG LYS A 103 -1.018 7.154 -8.593 1.00 70.33 C ATOM 1591 CD LYS A 103 0.087 6.575 -9.478 1.00 54.03 C ATOM 1592 CE LYS A 103 -0.449 5.997 -10.783 1.00 21.24 C ATOM 1593 NZ LYS A 103 -0.919 7.052 -11.716 1.00 64.21 N ATOM 0 H LYS A 103 -4.572 5.309 -6.798 1.00 43.33 H new ATOM 0 HA LYS A 103 -2.183 6.853 -6.107 1.00 23.44 H new ATOM 0 HB2 LYS A 103 -1.411 5.194 -7.806 1.00 30.22 H new ATOM 0 HB3 LYS A 103 -2.636 5.778 -8.916 1.00 30.22 H new ATOM 0 HG2 LYS A 103 -1.574 7.906 -9.153 1.00 70.33 H new ATOM 0 HG3 LYS A 103 -0.569 7.660 -7.739 1.00 70.33 H new ATOM 0 HD2 LYS A 103 0.814 7.356 -9.702 1.00 54.03 H new ATOM 0 HD3 LYS A 103 0.615 5.795 -8.930 1.00 54.03 H new ATOM 0 HE2 LYS A 103 0.332 5.410 -11.266 1.00 21.24 H new ATOM 0 HE3 LYS A 103 -1.271 5.315 -10.565 1.00 21.24 H new ATOM 0 HZ1 LYS A 103 -1.227 6.615 -12.608 1.00 64.21 H new ATOM 0 HZ2 LYS A 103 -1.717 7.564 -11.288 1.00 64.21 H new ATOM 0 HZ3 LYS A 103 -0.143 7.718 -11.907 1.00 64.21 H new ATOM 1607 N ASN A 104 -3.474 8.847 -6.667 1.00 10.21 N ATOM 1608 CA ASN A 104 -4.244 10.077 -6.900 1.00 24.41 C ATOM 1609 C ASN A 104 -5.713 9.862 -6.523 1.00 62.14 C ATOM 1610 O ASN A 104 -6.611 10.542 -7.019 1.00 35.31 O ATOM 1611 CB ASN A 104 -4.116 10.529 -8.370 1.00 12.22 C ATOM 1612 CG ASN A 104 -4.586 11.961 -8.599 1.00 60.41 C ATOM 1613 OD1 ASN A 104 -3.806 12.907 -8.477 1.00 45.52 O ATOM 1614 ND2 ASN A 104 -5.855 12.133 -8.937 1.00 45.41 N ATOM 0 H ASN A 104 -2.725 8.954 -5.983 1.00 10.21 H new ATOM 0 HA ASN A 104 -3.838 10.867 -6.268 1.00 24.41 H new ATOM 0 HB2 ASN A 104 -3.075 10.440 -8.682 1.00 12.22 H new ATOM 0 HB3 ASN A 104 -4.696 9.857 -9.002 1.00 12.22 H new ATOM 0 HD21 ASN A 104 -6.215 13.072 -9.106 1.00 45.41 H new ATOM 0 HD22 ASN A 104 -6.472 11.326 -9.029 1.00 45.41 H new ATOM 1621 N GLY A 105 -5.944 8.917 -5.615 1.00 22.10 N ATOM 1622 CA GLY A 105 -7.297 8.583 -5.207 1.00 23.52 C ATOM 1623 C GLY A 105 -8.008 7.721 -6.235 1.00 0.12 C ATOM 1624 O GLY A 105 -9.204 7.450 -6.114 1.00 33.45 O ATOM 0 H GLY A 105 -5.214 8.375 -5.153 1.00 22.10 H new ATOM 0 HA2 GLY A 105 -7.268 8.058 -4.252 1.00 23.52 H new ATOM 0 HA3 GLY A 105 -7.864 9.500 -5.049 1.00 23.52 H new ATOM 1628 N LYS A 106 -7.268 7.291 -7.253 1.00 61.04 N ATOM 1629 CA LYS A 106 -7.812 6.442 -8.304 1.00 20.33 C ATOM 1630 C LYS A 106 -7.409 4.988 -8.082 1.00 43.34 C ATOM 1631 O LYS A 106 -6.341 4.705 -7.509 1.00 4.12 O ATOM 1632 CB LYS A 106 -7.346 6.920 -9.690 1.00 31.35 C ATOM 1633 CG LYS A 106 -7.872 6.064 -10.842 1.00 24.21 C ATOM 1634 CD LYS A 106 -7.638 6.710 -12.207 1.00 2.11 C ATOM 1635 CE LYS A 106 -6.160 6.854 -12.541 1.00 54.43 C ATOM 1636 NZ LYS A 106 -5.961 7.491 -13.870 1.00 44.31 N ATOM 0 H LYS A 106 -6.281 7.520 -7.371 1.00 61.04 H new ATOM 0 HA LYS A 106 -8.899 6.511 -8.265 1.00 20.33 H new ATOM 0 HB2 LYS A 106 -7.669 7.950 -9.837 1.00 31.35 H new ATOM 0 HB3 LYS A 106 -6.256 6.921 -9.717 1.00 31.35 H new ATOM 0 HG2 LYS A 106 -7.385 5.089 -10.817 1.00 24.21 H new ATOM 0 HG3 LYS A 106 -8.939 5.891 -10.704 1.00 24.21 H new ATOM 0 HD2 LYS A 106 -8.124 6.110 -12.977 1.00 2.11 H new ATOM 0 HD3 LYS A 106 -8.108 7.693 -12.225 1.00 2.11 H new ATOM 0 HE2 LYS A 106 -5.669 7.451 -11.773 1.00 54.43 H new ATOM 0 HE3 LYS A 106 -5.687 5.872 -12.532 1.00 54.43 H new ATOM 0 HZ1 LYS A 106 -4.943 7.574 -14.066 1.00 44.31 H new ATOM 0 HZ2 LYS A 106 -6.409 6.908 -14.605 1.00 44.31 H new ATOM 0 HZ3 LYS A 106 -6.392 8.438 -13.869 1.00 44.31 H new ATOM 1650 N LYS A 107 -8.279 4.082 -8.542 1.00 22.10 N ATOM 1651 CA LYS A 107 -8.075 2.646 -8.409 1.00 72.21 C ATOM 1652 C LYS A 107 -6.752 2.210 -9.029 1.00 63.04 C ATOM 1653 O LYS A 107 -6.445 2.509 -10.184 1.00 2.11 O ATOM 1654 CB LYS A 107 -9.239 1.878 -9.054 1.00 11.15 C ATOM 1655 CG LYS A 107 -10.563 2.028 -8.305 1.00 54.11 C ATOM 1656 CD LYS A 107 -10.570 1.274 -6.966 1.00 73.21 C ATOM 1657 CE LYS A 107 -10.972 -0.196 -7.124 1.00 0.31 C ATOM 1658 NZ LYS A 107 -10.044 -0.968 -7.996 1.00 0.12 N ATOM 0 H LYS A 107 -9.146 4.331 -9.018 1.00 22.10 H new ATOM 0 HA LYS A 107 -8.040 2.414 -7.345 1.00 72.21 H new ATOM 0 HB2 LYS A 107 -9.370 2.227 -10.078 1.00 11.15 H new ATOM 0 HB3 LYS A 107 -8.980 0.821 -9.108 1.00 11.15 H new ATOM 0 HG2 LYS A 107 -10.757 3.085 -8.124 1.00 54.11 H new ATOM 0 HG3 LYS A 107 -11.375 1.658 -8.931 1.00 54.11 H new ATOM 0 HD2 LYS A 107 -9.579 1.330 -6.516 1.00 73.21 H new ATOM 0 HD3 LYS A 107 -11.260 1.765 -6.280 1.00 73.21 H new ATOM 0 HE2 LYS A 107 -11.009 -0.664 -6.140 1.00 0.31 H new ATOM 0 HE3 LYS A 107 -11.978 -0.248 -7.540 1.00 0.31 H new ATOM 0 HZ1 LYS A 107 -10.199 -1.986 -7.852 1.00 0.12 H new ATOM 0 HZ2 LYS A 107 -10.223 -0.728 -8.992 1.00 0.12 H new ATOM 0 HZ3 LYS A 107 -9.061 -0.730 -7.753 1.00 0.12 H new ATOM 1672 N LEU A 108 -6.002 1.488 -8.228 1.00 74.44 N ATOM 1673 CA LEU A 108 -4.680 0.991 -8.561 1.00 74.42 C ATOM 1674 C LEU A 108 -4.638 -0.475 -8.142 1.00 5.32 C ATOM 1675 O LEU A 108 -5.550 -0.942 -7.454 1.00 4.05 O ATOM 1676 CB LEU A 108 -3.574 1.841 -7.904 1.00 62.01 C ATOM 1677 CG LEU A 108 -2.511 2.412 -8.862 1.00 50.12 C ATOM 1678 CD1 LEU A 108 -1.680 1.293 -9.481 1.00 4.41 C ATOM 1679 CD2 LEU A 108 -3.168 3.264 -9.948 1.00 42.04 C ATOM 0 H LEU A 108 -6.304 1.219 -7.292 1.00 74.44 H new ATOM 0 HA LEU A 108 -4.489 1.068 -9.631 1.00 74.42 H new ATOM 0 HB2 LEU A 108 -4.044 2.671 -7.377 1.00 62.01 H new ATOM 0 HB3 LEU A 108 -3.070 1.231 -7.154 1.00 62.01 H new ATOM 0 HG LEU A 108 -1.841 3.050 -8.286 1.00 50.12 H new ATOM 0 HD11 LEU A 108 -0.937 1.721 -10.153 1.00 4.41 H new ATOM 0 HD12 LEU A 108 -1.177 0.734 -8.692 1.00 4.41 H new ATOM 0 HD13 LEU A 108 -2.332 0.623 -10.041 1.00 4.41 H new ATOM 0 HD21 LEU A 108 -2.401 3.658 -10.615 1.00 42.04 H new ATOM 0 HD22 LEU A 108 -3.865 2.651 -10.519 1.00 42.04 H new ATOM 0 HD23 LEU A 108 -3.707 4.091 -9.485 1.00 42.04 H new ATOM 1691 N SER A 109 -3.616 -1.203 -8.554 1.00 63.04 N ATOM 1692 CA SER A 109 -3.676 -2.654 -8.628 1.00 23.14 C ATOM 1693 C SER A 109 -3.722 -3.315 -7.248 1.00 52.13 C ATOM 1694 O SER A 109 -3.347 -2.729 -6.238 1.00 51.51 O ATOM 1695 CB SER A 109 -2.417 -3.127 -9.356 1.00 71.23 C ATOM 1696 OG SER A 109 -2.477 -2.819 -10.743 1.00 33.20 O ATOM 0 H SER A 109 -2.722 -0.808 -8.846 1.00 63.04 H new ATOM 0 HA SER A 109 -4.591 -2.935 -9.150 1.00 23.14 H new ATOM 0 HB2 SER A 109 -1.540 -2.655 -8.914 1.00 71.23 H new ATOM 0 HB3 SER A 109 -2.301 -4.203 -9.225 1.00 71.23 H new ATOM 0 HG SER A 109 -1.659 -3.131 -11.183 1.00 33.20 H new ATOM 1702 N GLN A 110 -4.241 -4.538 -7.225 1.00 12.12 N ATOM 1703 CA GLN A 110 -4.419 -5.281 -5.988 1.00 70.20 C ATOM 1704 C GLN A 110 -3.516 -6.508 -5.987 1.00 1.24 C ATOM 1705 O GLN A 110 -3.645 -7.385 -6.844 1.00 33.33 O ATOM 1706 CB GLN A 110 -5.892 -5.693 -5.838 1.00 5.23 C ATOM 1707 CG GLN A 110 -6.212 -6.404 -4.528 1.00 13.23 C ATOM 1708 CD GLN A 110 -7.688 -6.753 -4.386 1.00 23.02 C ATOM 1709 OE1 GLN A 110 -8.560 -6.065 -4.923 1.00 11.02 O ATOM 1710 NE2 GLN A 110 -7.974 -7.816 -3.649 1.00 42.22 N ATOM 0 H GLN A 110 -4.548 -5.038 -8.060 1.00 12.12 H new ATOM 0 HA GLN A 110 -4.146 -4.649 -5.143 1.00 70.20 H new ATOM 0 HB2 GLN A 110 -6.516 -4.803 -5.917 1.00 5.23 H new ATOM 0 HB3 GLN A 110 -6.161 -6.346 -6.668 1.00 5.23 H new ATOM 0 HG2 GLN A 110 -5.620 -7.317 -4.463 1.00 13.23 H new ATOM 0 HG3 GLN A 110 -5.912 -5.770 -3.694 1.00 13.23 H new ATOM 0 HE21 GLN A 110 -7.223 -8.358 -3.222 1.00 42.22 H new ATOM 0 HE22 GLN A 110 -8.946 -8.093 -3.508 1.00 42.22 H new ATOM 1719 N VAL A 111 -2.602 -6.561 -5.028 1.00 31.12 N ATOM 1720 CA VAL A 111 -1.673 -7.675 -4.908 1.00 41.52 C ATOM 1721 C VAL A 111 -2.190 -8.681 -3.883 1.00 72.22 C ATOM 1722 O VAL A 111 -2.188 -8.416 -2.679 1.00 63.51 O ATOM 1723 CB VAL A 111 -0.259 -7.190 -4.497 1.00 55.24 C ATOM 1724 CG1 VAL A 111 0.736 -8.352 -4.464 1.00 20.44 C ATOM 1725 CG2 VAL A 111 0.226 -6.087 -5.439 1.00 3.21 C ATOM 0 H VAL A 111 -2.484 -5.839 -4.317 1.00 31.12 H new ATOM 0 HA VAL A 111 -1.599 -8.154 -5.884 1.00 41.52 H new ATOM 0 HB VAL A 111 -0.324 -6.779 -3.490 1.00 55.24 H new ATOM 0 HG11 VAL A 111 1.719 -7.981 -4.173 1.00 20.44 H new ATOM 0 HG12 VAL A 111 0.401 -9.098 -3.743 1.00 20.44 H new ATOM 0 HG13 VAL A 111 0.798 -8.806 -5.453 1.00 20.44 H new ATOM 0 HG21 VAL A 111 1.220 -5.759 -5.134 1.00 3.21 H new ATOM 0 HG22 VAL A 111 0.267 -6.471 -6.458 1.00 3.21 H new ATOM 0 HG23 VAL A 111 -0.463 -5.243 -5.396 1.00 3.21 H new ATOM 1735 N ILE A 112 -2.661 -9.819 -4.375 1.00 42.12 N ATOM 1736 CA ILE A 112 -3.127 -10.903 -3.517 1.00 63.12 C ATOM 1737 C ILE A 112 -1.976 -11.867 -3.250 1.00 73.25 C ATOM 1738 O ILE A 112 -1.580 -12.637 -4.128 1.00 3.42 O ATOM 1739 CB ILE A 112 -4.317 -11.693 -4.136 1.00 13.04 C ATOM 1740 CG1 ILE A 112 -5.541 -10.782 -4.365 1.00 41.24 C ATOM 1741 CG2 ILE A 112 -4.701 -12.871 -3.242 1.00 10.42 C ATOM 1742 CD1 ILE A 112 -5.414 -9.851 -5.554 1.00 53.11 C ATOM 0 H ILE A 112 -2.731 -10.017 -5.373 1.00 42.12 H new ATOM 0 HA ILE A 112 -3.481 -10.450 -2.591 1.00 63.12 H new ATOM 0 HB ILE A 112 -3.992 -12.073 -5.105 1.00 13.04 H new ATOM 0 HG12 ILE A 112 -6.424 -11.407 -4.501 1.00 41.24 H new ATOM 0 HG13 ILE A 112 -5.708 -10.186 -3.468 1.00 41.24 H new ATOM 0 HG21 ILE A 112 -5.534 -13.412 -3.691 1.00 10.42 H new ATOM 0 HG22 ILE A 112 -3.848 -13.541 -3.137 1.00 10.42 H new ATOM 0 HG23 ILE A 112 -4.995 -12.502 -2.260 1.00 10.42 H new ATOM 0 HD11 ILE A 112 -6.317 -9.247 -5.642 1.00 53.11 H new ATOM 0 HD12 ILE A 112 -4.553 -9.197 -5.414 1.00 53.11 H new ATOM 0 HD13 ILE A 112 -5.280 -10.438 -6.463 1.00 53.11 H new ATOM 1754 N GLY A 113 -1.426 -11.806 -2.046 1.00 43.32 N ATOM 1755 CA GLY A 113 -0.308 -12.653 -1.693 1.00 44.33 C ATOM 1756 C GLY A 113 0.991 -11.877 -1.665 1.00 63.32 C ATOM 1757 O GLY A 113 1.101 -10.814 -2.281 1.00 31.44 O ATOM 0 H GLY A 113 -1.738 -11.180 -1.303 1.00 43.32 H new ATOM 0 HA2 GLY A 113 -0.485 -13.102 -0.716 1.00 44.33 H new ATOM 0 HA3 GLY A 113 -0.229 -13.470 -2.410 1.00 44.33 H new ATOM 1761 N ALA A 114 1.975 -12.404 -0.953 1.00 1.24 N ATOM 1762 CA ALA A 114 3.269 -11.749 -0.830 1.00 10.12 C ATOM 1763 C ALA A 114 4.091 -11.935 -2.104 1.00 15.11 C ATOM 1764 O ALA A 114 4.904 -12.858 -2.202 1.00 61.23 O ATOM 1765 CB ALA A 114 4.019 -12.283 0.387 1.00 14.21 C ATOM 0 H ALA A 114 1.902 -13.288 -0.449 1.00 1.24 H new ATOM 0 HA ALA A 114 3.106 -10.680 -0.690 1.00 10.12 H new ATOM 0 HB1 ALA A 114 4.985 -11.784 0.467 1.00 14.21 H new ATOM 0 HB2 ALA A 114 3.436 -12.090 1.287 1.00 14.21 H new ATOM 0 HB3 ALA A 114 4.173 -13.357 0.277 1.00 14.21 H new ATOM 1771 N ASP A 115 3.847 -11.081 -3.096 1.00 62.23 N ATOM 1772 CA ASP A 115 4.622 -11.113 -4.336 1.00 41.14 C ATOM 1773 C ASP A 115 5.300 -9.767 -4.570 1.00 1.44 C ATOM 1774 O ASP A 115 4.734 -8.848 -5.194 1.00 1.04 O ATOM 1775 CB ASP A 115 3.752 -11.502 -5.542 1.00 71.13 C ATOM 1776 CG ASP A 115 4.586 -11.764 -6.795 1.00 4.12 C ATOM 1777 OD1 ASP A 115 5.533 -12.579 -6.721 1.00 31.42 O ATOM 1778 OD2 ASP A 115 4.292 -11.171 -7.855 1.00 4.13 O ATOM 0 H ASP A 115 3.124 -10.362 -3.067 1.00 62.23 H new ATOM 0 HA ASP A 115 5.389 -11.880 -4.230 1.00 41.14 H new ATOM 0 HB2 ASP A 115 3.175 -12.394 -5.299 1.00 71.13 H new ATOM 0 HB3 ASP A 115 3.037 -10.705 -5.744 1.00 71.13 H new ATOM 1783 N ILE A 116 6.517 -9.656 -4.043 1.00 13.21 N ATOM 1784 CA ILE A 116 7.299 -8.434 -4.146 1.00 13.14 C ATOM 1785 C ILE A 116 7.517 -8.092 -5.622 1.00 2.43 C ATOM 1786 O ILE A 116 7.590 -6.923 -5.987 1.00 25.31 O ATOM 1787 CB ILE A 116 8.659 -8.576 -3.387 1.00 2.41 C ATOM 1788 CG1 ILE A 116 9.091 -7.240 -2.743 1.00 43.40 C ATOM 1789 CG2 ILE A 116 9.762 -9.109 -4.303 1.00 11.11 C ATOM 1790 CD1 ILE A 116 9.407 -6.128 -3.722 1.00 4.54 C ATOM 0 H ILE A 116 6.984 -10.408 -3.536 1.00 13.21 H new ATOM 0 HA ILE A 116 6.752 -7.618 -3.675 1.00 13.14 H new ATOM 0 HB ILE A 116 8.502 -9.302 -2.589 1.00 2.41 H new ATOM 0 HG12 ILE A 116 8.297 -6.902 -2.077 1.00 43.40 H new ATOM 0 HG13 ILE A 116 9.971 -7.420 -2.125 1.00 43.40 H new ATOM 0 HG21 ILE A 116 10.692 -9.194 -3.741 1.00 11.11 H new ATOM 0 HG22 ILE A 116 9.477 -10.090 -4.684 1.00 11.11 H new ATOM 0 HG23 ILE A 116 9.904 -8.423 -5.138 1.00 11.11 H new ATOM 0 HD11 ILE A 116 9.700 -5.233 -3.174 1.00 4.54 H new ATOM 0 HD12 ILE A 116 10.224 -6.438 -4.373 1.00 4.54 H new ATOM 0 HD13 ILE A 116 8.525 -5.912 -4.324 1.00 4.54 H new ATOM 1802 N SER A 117 7.579 -9.128 -6.463 1.00 34.41 N ATOM 1803 CA SER A 117 7.697 -8.949 -7.906 1.00 23.22 C ATOM 1804 C SER A 117 6.548 -8.089 -8.425 1.00 1.12 C ATOM 1805 O SER A 117 6.770 -7.075 -9.083 1.00 64.33 O ATOM 1806 CB SER A 117 7.706 -10.311 -8.615 1.00 44.15 C ATOM 1807 OG SER A 117 7.706 -10.161 -10.028 1.00 53.23 O ATOM 0 H SER A 117 7.549 -10.103 -6.164 1.00 34.41 H new ATOM 0 HA SER A 117 8.638 -8.442 -8.119 1.00 23.22 H new ATOM 0 HB2 SER A 117 8.586 -10.877 -8.308 1.00 44.15 H new ATOM 0 HB3 SER A 117 6.833 -10.888 -8.309 1.00 44.15 H new ATOM 0 HG SER A 117 7.713 -11.045 -10.451 1.00 53.23 H new ATOM 1813 N LYS A 118 5.321 -8.493 -8.103 1.00 42.32 N ATOM 1814 CA LYS A 118 4.134 -7.765 -8.530 1.00 24.15 C ATOM 1815 C LYS A 118 4.164 -6.352 -7.972 1.00 43.24 C ATOM 1816 O LYS A 118 3.954 -5.379 -8.701 1.00 35.31 O ATOM 1817 CB LYS A 118 2.862 -8.487 -8.059 1.00 14.12 C ATOM 1818 CG LYS A 118 1.578 -7.980 -8.708 1.00 64.33 C ATOM 1819 CD LYS A 118 1.543 -8.240 -10.217 1.00 24.44 C ATOM 1820 CE LYS A 118 1.518 -9.733 -10.563 1.00 72.24 C ATOM 1821 NZ LYS A 118 2.839 -10.400 -10.353 1.00 41.22 N ATOM 0 H LYS A 118 5.125 -9.324 -7.545 1.00 42.32 H new ATOM 0 HA LYS A 118 4.126 -7.720 -9.619 1.00 24.15 H new ATOM 0 HB2 LYS A 118 2.965 -9.552 -8.266 1.00 14.12 H new ATOM 0 HB3 LYS A 118 2.776 -8.380 -6.978 1.00 14.12 H new ATOM 0 HG2 LYS A 118 0.722 -8.464 -8.239 1.00 64.33 H new ATOM 0 HG3 LYS A 118 1.479 -6.910 -8.524 1.00 64.33 H new ATOM 0 HD2 LYS A 118 0.663 -7.758 -10.644 1.00 24.44 H new ATOM 0 HD3 LYS A 118 2.415 -7.779 -10.681 1.00 24.44 H new ATOM 0 HE2 LYS A 118 0.764 -10.230 -9.952 1.00 72.24 H new ATOM 0 HE3 LYS A 118 1.216 -9.855 -11.603 1.00 72.24 H new ATOM 0 HZ1 LYS A 118 3.008 -11.085 -11.117 1.00 41.22 H new ATOM 0 HZ2 LYS A 118 3.594 -9.684 -10.357 1.00 41.22 H new ATOM 0 HZ3 LYS A 118 2.836 -10.896 -9.439 1.00 41.22 H new ATOM 1835 N ILE A 119 4.444 -6.249 -6.674 1.00 74.15 N ATOM 1836 CA ILE A 119 4.455 -4.952 -6.002 1.00 53.32 C ATOM 1837 C ILE A 119 5.431 -3.983 -6.685 1.00 11.31 C ATOM 1838 O ILE A 119 5.033 -2.904 -7.141 1.00 71.41 O ATOM 1839 CB ILE A 119 4.825 -5.096 -4.503 1.00 75.13 C ATOM 1840 CG1 ILE A 119 3.850 -6.062 -3.803 1.00 4.23 C ATOM 1841 CG2 ILE A 119 4.819 -3.731 -3.813 1.00 33.02 C ATOM 1842 CD1 ILE A 119 4.179 -6.328 -2.347 1.00 31.03 C ATOM 0 H ILE A 119 4.665 -7.042 -6.071 1.00 74.15 H new ATOM 0 HA ILE A 119 3.446 -4.545 -6.074 1.00 53.32 H new ATOM 0 HB ILE A 119 5.832 -5.508 -4.433 1.00 75.13 H new ATOM 0 HG12 ILE A 119 2.842 -5.653 -3.867 1.00 4.23 H new ATOM 0 HG13 ILE A 119 3.845 -7.009 -4.342 1.00 4.23 H new ATOM 0 HG21 ILE A 119 5.081 -3.853 -2.762 1.00 33.02 H new ATOM 0 HG22 ILE A 119 5.546 -3.077 -4.294 1.00 33.02 H new ATOM 0 HG23 ILE A 119 3.826 -3.289 -3.890 1.00 33.02 H new ATOM 0 HD11 ILE A 119 3.445 -7.017 -1.928 1.00 31.03 H new ATOM 0 HD12 ILE A 119 5.174 -6.768 -2.273 1.00 31.03 H new ATOM 0 HD13 ILE A 119 4.155 -5.391 -1.791 1.00 31.03 H new ATOM 1854 N ILE A 120 6.697 -4.388 -6.796 1.00 62.30 N ATOM 1855 CA ILE A 120 7.725 -3.530 -7.386 1.00 34.13 C ATOM 1856 C ILE A 120 7.413 -3.267 -8.859 1.00 22.31 C ATOM 1857 O ILE A 120 7.647 -2.165 -9.368 1.00 10.35 O ATOM 1858 CB ILE A 120 9.154 -4.134 -7.249 1.00 64.45 C ATOM 1859 CG1 ILE A 120 10.212 -3.114 -7.709 1.00 5.00 C ATOM 1860 CG2 ILE A 120 9.285 -5.434 -8.043 1.00 71.42 C ATOM 1861 CD1 ILE A 120 11.642 -3.601 -7.572 1.00 60.21 C ATOM 0 H ILE A 120 7.034 -5.300 -6.487 1.00 62.30 H new ATOM 0 HA ILE A 120 7.712 -2.591 -6.833 1.00 34.13 H new ATOM 0 HB ILE A 120 9.322 -4.366 -6.197 1.00 64.45 H new ATOM 0 HG12 ILE A 120 10.025 -2.858 -8.752 1.00 5.00 H new ATOM 0 HG13 ILE A 120 10.094 -2.198 -7.130 1.00 5.00 H new ATOM 0 HG21 ILE A 120 10.294 -5.831 -7.927 1.00 71.42 H new ATOM 0 HG22 ILE A 120 8.564 -6.162 -7.671 1.00 71.42 H new ATOM 0 HG23 ILE A 120 9.091 -5.237 -9.097 1.00 71.42 H new ATOM 0 HD11 ILE A 120 12.325 -2.825 -7.917 1.00 60.21 H new ATOM 0 HD12 ILE A 120 11.850 -3.829 -6.527 1.00 60.21 H new ATOM 0 HD13 ILE A 120 11.780 -4.499 -8.174 1.00 60.21 H new ATOM 1873 N SER A 121 6.860 -4.284 -9.527 1.00 43.05 N ATOM 1874 CA SER A 121 6.483 -4.183 -10.934 1.00 25.44 C ATOM 1875 C SER A 121 5.535 -3.012 -11.143 1.00 44.11 C ATOM 1876 O SER A 121 5.780 -2.139 -11.976 1.00 45.24 O ATOM 1877 CB SER A 121 5.815 -5.486 -11.401 1.00 53.14 C ATOM 1878 OG SER A 121 5.369 -5.396 -12.746 1.00 34.12 O ATOM 0 H SER A 121 6.663 -5.193 -9.108 1.00 43.05 H new ATOM 0 HA SER A 121 7.385 -4.017 -11.523 1.00 25.44 H new ATOM 0 HB2 SER A 121 6.521 -6.311 -11.306 1.00 53.14 H new ATOM 0 HB3 SER A 121 4.970 -5.714 -10.752 1.00 53.14 H new ATOM 0 HG SER A 121 4.439 -5.089 -12.762 1.00 34.12 H new ATOM 1884 N GLU A 122 4.471 -2.981 -10.355 1.00 2.30 N ATOM 1885 CA GLU A 122 3.444 -1.965 -10.513 1.00 40.31 C ATOM 1886 C GLU A 122 3.916 -0.615 -9.989 1.00 41.04 C ATOM 1887 O GLU A 122 3.502 0.429 -10.499 1.00 24.51 O ATOM 1888 CB GLU A 122 2.143 -2.408 -9.842 1.00 73.44 C ATOM 1889 CG GLU A 122 1.600 -3.711 -10.420 1.00 32.23 C ATOM 1890 CD GLU A 122 1.608 -3.709 -11.945 1.00 33.32 C ATOM 1891 OE1 GLU A 122 0.756 -3.024 -12.550 1.00 21.12 O ATOM 1892 OE2 GLU A 122 2.483 -4.374 -12.550 1.00 73.12 O ATOM 0 H GLU A 122 4.297 -3.646 -9.602 1.00 2.30 H new ATOM 0 HA GLU A 122 3.246 -1.843 -11.578 1.00 40.31 H new ATOM 0 HB2 GLU A 122 2.314 -2.532 -8.773 1.00 73.44 H new ATOM 0 HB3 GLU A 122 1.394 -1.624 -9.956 1.00 73.44 H new ATOM 0 HG2 GLU A 122 2.199 -4.546 -10.056 1.00 32.23 H new ATOM 0 HG3 GLU A 122 0.582 -3.869 -10.063 1.00 32.23 H new ATOM 1899 N ILE A 123 4.792 -0.627 -8.987 1.00 4.12 N ATOM 1900 CA ILE A 123 5.388 0.612 -8.494 1.00 61.22 C ATOM 1901 C ILE A 123 6.126 1.328 -9.629 1.00 74.41 C ATOM 1902 O ILE A 123 5.812 2.475 -9.968 1.00 70.45 O ATOM 1903 CB ILE A 123 6.367 0.357 -7.314 1.00 55.03 C ATOM 1904 CG1 ILE A 123 5.602 -0.127 -6.069 1.00 71.02 C ATOM 1905 CG2 ILE A 123 7.172 1.614 -6.990 1.00 14.21 C ATOM 1906 CD1 ILE A 123 6.493 -0.440 -4.880 1.00 71.43 C ATOM 0 H ILE A 123 5.102 -1.471 -8.505 1.00 4.12 H new ATOM 0 HA ILE A 123 4.577 1.240 -8.126 1.00 61.22 H new ATOM 0 HB ILE A 123 7.064 -0.424 -7.618 1.00 55.03 H new ATOM 0 HG12 ILE A 123 4.881 0.637 -5.778 1.00 71.02 H new ATOM 0 HG13 ILE A 123 5.033 -1.020 -6.329 1.00 71.02 H new ATOM 0 HG21 ILE A 123 7.849 1.409 -6.161 1.00 14.21 H new ATOM 0 HG22 ILE A 123 7.750 1.912 -7.865 1.00 14.21 H new ATOM 0 HG23 ILE A 123 6.492 2.420 -6.712 1.00 14.21 H new ATOM 0 HD11 ILE A 123 5.879 -0.774 -4.044 1.00 71.43 H new ATOM 0 HD12 ILE A 123 7.198 -1.227 -5.150 1.00 71.43 H new ATOM 0 HD13 ILE A 123 7.043 0.456 -4.591 1.00 71.43 H new ATOM 1918 N ASN A 124 7.069 0.629 -10.261 1.00 2.32 N ATOM 1919 CA ASN A 124 7.869 1.236 -11.327 1.00 4.21 C ATOM 1920 C ASN A 124 7.015 1.444 -12.574 1.00 74.43 C ATOM 1921 O ASN A 124 7.250 2.373 -13.344 1.00 35.35 O ATOM 1922 CB ASN A 124 9.120 0.399 -11.666 1.00 3.42 C ATOM 1923 CG ASN A 124 8.820 -0.867 -12.459 1.00 61.03 C ATOM 1924 OD1 ASN A 124 8.701 -0.834 -13.683 1.00 75.42 O ATOM 1925 ND2 ASN A 124 8.733 -1.995 -11.780 1.00 65.13 N ATOM 0 H ASN A 124 7.296 -0.344 -10.058 1.00 2.32 H new ATOM 0 HA ASN A 124 8.217 2.203 -10.963 1.00 4.21 H new ATOM 0 HB2 ASN A 124 9.815 1.016 -12.235 1.00 3.42 H new ATOM 0 HB3 ASN A 124 9.624 0.125 -10.739 1.00 3.42 H new ATOM 0 HD21 ASN A 124 8.562 -2.873 -12.270 1.00 65.13 H new ATOM 0 HD22 ASN A 124 8.836 -1.989 -10.765 1.00 65.13 H new ATOM 1932 N ASN A 125 6.012 0.582 -12.749 1.00 20.10 N ATOM 1933 CA ASN A 125 5.065 0.693 -13.864 1.00 4.44 C ATOM 1934 C ASN A 125 4.304 2.012 -13.804 1.00 12.32 C ATOM 1935 O ASN A 125 4.133 2.689 -14.820 1.00 1.34 O ATOM 1936 CB ASN A 125 4.069 -0.483 -13.839 1.00 73.34 C ATOM 1937 CG ASN A 125 2.924 -0.337 -14.837 1.00 72.33 C ATOM 1938 OD1 ASN A 125 3.072 0.274 -15.897 1.00 63.11 O ATOM 1939 ND2 ASN A 125 1.774 -0.914 -14.512 1.00 54.34 N ATOM 0 H ASN A 125 5.832 -0.207 -12.128 1.00 20.10 H new ATOM 0 HA ASN A 125 5.635 0.662 -14.793 1.00 4.44 H new ATOM 0 HB2 ASN A 125 4.607 -1.408 -14.049 1.00 73.34 H new ATOM 0 HB3 ASN A 125 3.655 -0.576 -12.835 1.00 73.34 H new ATOM 0 HD21 ASN A 125 0.978 -0.859 -15.148 1.00 54.34 H new ATOM 0 HD22 ASN A 125 1.686 -1.412 -13.626 1.00 54.34 H new ATOM 1946 N ASN A 126 3.847 2.372 -12.610 1.00 13.33 N ATOM 1947 CA ASN A 126 3.031 3.572 -12.431 1.00 62.21 C ATOM 1948 C ASN A 126 3.884 4.829 -12.266 1.00 51.05 C ATOM 1949 O ASN A 126 3.429 5.932 -12.580 1.00 23.22 O ATOM 1950 CB ASN A 126 2.074 3.402 -11.244 1.00 30.11 C ATOM 1951 CG ASN A 126 0.859 2.562 -11.604 1.00 14.44 C ATOM 1952 OD1 ASN A 126 -0.163 3.089 -12.046 1.00 1.11 O ATOM 1953 ND2 ASN A 126 0.956 1.255 -11.418 1.00 3.42 N ATOM 0 H ASN A 126 4.026 1.852 -11.751 1.00 13.33 H new ATOM 0 HA ASN A 126 2.442 3.702 -13.339 1.00 62.21 H new ATOM 0 HB2 ASN A 126 2.605 2.934 -10.415 1.00 30.11 H new ATOM 0 HB3 ASN A 126 1.747 4.383 -10.900 1.00 30.11 H new ATOM 0 HD21 ASN A 126 0.168 0.648 -11.643 1.00 3.42 H new ATOM 0 HD22 ASN A 126 1.819 0.855 -11.050 1.00 3.42 H new ATOM 1960 N ILE A 127 5.106 4.675 -11.759 1.00 62.34 N ATOM 1961 CA ILE A 127 6.033 5.804 -11.676 1.00 24.23 C ATOM 1962 C ILE A 127 6.575 6.153 -13.060 1.00 55.31 C ATOM 1963 O ILE A 127 6.566 7.316 -13.469 1.00 34.31 O ATOM 1964 CB ILE A 127 7.209 5.509 -10.711 1.00 21.14 C ATOM 1965 CG1 ILE A 127 6.689 5.349 -9.273 1.00 35.41 C ATOM 1966 CG2 ILE A 127 8.269 6.613 -10.785 1.00 75.42 C ATOM 1967 CD1 ILE A 127 7.774 5.043 -8.266 1.00 45.55 C ATOM 0 H ILE A 127 5.474 3.793 -11.404 1.00 62.34 H new ATOM 0 HA ILE A 127 5.476 6.654 -11.281 1.00 24.23 H new ATOM 0 HB ILE A 127 7.679 4.574 -11.017 1.00 21.14 H new ATOM 0 HG12 ILE A 127 6.178 6.265 -8.977 1.00 35.41 H new ATOM 0 HG13 ILE A 127 5.948 4.549 -9.250 1.00 35.41 H new ATOM 0 HG21 ILE A 127 9.083 6.382 -10.098 1.00 75.42 H new ATOM 0 HG22 ILE A 127 8.658 6.676 -11.801 1.00 75.42 H new ATOM 0 HG23 ILE A 127 7.821 7.567 -10.508 1.00 75.42 H new ATOM 0 HD11 ILE A 127 7.333 4.944 -7.274 1.00 45.55 H new ATOM 0 HD12 ILE A 127 8.270 4.111 -8.537 1.00 45.55 H new ATOM 0 HD13 ILE A 127 8.503 5.853 -8.259 1.00 45.55 H new ATOM 1979 N ASN A 128 7.037 5.137 -13.783 1.00 4.22 N ATOM 1980 CA ASN A 128 7.589 5.330 -15.124 1.00 11.43 C ATOM 1981 C ASN A 128 6.559 4.930 -16.179 1.00 23.54 C ATOM 1982 O ASN A 128 5.760 5.792 -16.596 1.00 10.51 O ATOM 1983 CB ASN A 128 8.882 4.517 -15.311 1.00 41.43 C ATOM 1984 CG ASN A 128 10.002 4.968 -14.392 1.00 14.11 C ATOM 1985 OD1 ASN A 128 10.764 5.877 -14.726 1.00 41.11 O ATOM 1986 ND2 ASN A 128 10.122 4.332 -13.237 1.00 33.12 N ATOM 1987 OXT ASN A 128 6.546 3.752 -16.590 1.00 0.00 O ATOM 0 H ASN A 128 7.041 4.168 -13.463 1.00 4.22 H new ATOM 0 HA ASN A 128 7.831 6.386 -15.244 1.00 11.43 H new ATOM 0 HB2 ASN A 128 8.672 3.463 -15.129 1.00 41.43 H new ATOM 0 HB3 ASN A 128 9.212 4.602 -16.346 1.00 41.43 H new ATOM 0 HD21 ASN A 128 10.865 4.590 -12.588 1.00 33.12 H new ATOM 0 HD22 ASN A 128 9.471 3.584 -12.996 1.00 33.12 H new TER 1994 ASN A 128