USER MOD reduce.3.24.130724 H: found=0, std=0, add=808, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 806 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 103 GLN : amide:sc= -0.103 K(o=-0.2,f=-1.9) USER MOD Set 1.2: A 107 LYS NZ :NH3+ 168:sc= -0.0973 (180deg=-0.0973) USER MOD Single : A 1 ALA N :NH3+ -171:sc= 0 (180deg=-0.0921) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot -43:sc= 0.105 USER MOD Single : A 16 SER OG : rot 67:sc= 0.117 USER MOD Single : A 17 SER OG : rot 129:sc= 1.31 USER MOD Single : A 18 CYS SG : rot -67:sc= 0.825 USER MOD Single : A 19 GLN : amide:sc= 0.0231 X(o=0.023,f=-0.0082) USER MOD Single : A 23 SER OG : rot -79:sc= 1.19 USER MOD Single : A 25 ASN : amide:sc= -0.812 K(o=-0.81,f=-7.9!) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 140:sc= 0.00103 USER MOD Single : A 31 SER OG : rot -40:sc= 0.885 USER MOD Single : A 32 THR OG1 : rot 122:sc= -0.354 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -164:sc= -0.305 (180deg=-0.591) USER MOD Single : A 39 THR OG1 : rot 180:sc= -1.24 USER MOD Single : A 42 GLN : amide:sc= -1.17 K(o=-1.2,f=-1.7) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -1.3 K(o=-1.3,f=-1.8) USER MOD Single : A 54 LYS NZ :NH3+ -171:sc= 0.0247 (180deg=0.014) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= -0.0294 K(o=-0.029,f=-2.8!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN :FLIP amide:sc= -1.23 F(o=-3.5!,f=-1.2) USER MOD Single : A 71 SER OG : rot 55:sc= 0.578 USER MOD Single : A 72 SER OG : rot -52:sc= 0.114 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 26:sc= 0.353 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 180:sc= -1.13 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 180:sc= -0.655 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 1.612 0.892 -3.046 1.00 51.15 N ATOM 2 CA ALA A 1 1.205 0.015 -1.955 1.00 52.54 C ATOM 3 C ALA A 1 2.158 -1.167 -1.816 1.00 50.41 C ATOM 4 O ALA A 1 2.507 -1.567 -0.705 1.00 52.11 O ATOM 5 CB ALA A 1 -0.219 -0.475 -2.176 1.00 4.15 C ATOM 0 H1 ALA A 1 1.042 1.762 -3.023 1.00 51.15 H new ATOM 0 H2 ALA A 1 2.618 1.134 -2.940 1.00 51.15 H new ATOM 0 H3 ALA A 1 1.467 0.407 -3.954 1.00 51.15 H new ATOM 0 HA ALA A 1 1.241 0.587 -1.028 1.00 52.54 H new ATOM 0 HB1 ALA A 1 -0.510 -1.129 -1.354 1.00 4.15 H new ATOM 0 HB2 ALA A 1 -0.895 0.379 -2.218 1.00 4.15 H new ATOM 0 HB3 ALA A 1 -0.273 -1.026 -3.115 1.00 4.15 H new ATOM 11 N ILE A 2 2.575 -1.721 -2.949 1.00 71.23 N ATOM 12 CA ILE A 2 3.488 -2.857 -2.952 1.00 61.34 C ATOM 13 C ILE A 2 4.816 -2.493 -3.607 1.00 62.34 C ATOM 14 O ILE A 2 5.859 -3.063 -3.283 1.00 33.11 O ATOM 15 CB ILE A 2 2.880 -4.066 -3.688 1.00 21.10 C ATOM 16 CG1 ILE A 2 3.869 -5.234 -3.700 1.00 11.25 C ATOM 17 CG2 ILE A 2 2.490 -3.681 -5.107 1.00 60.22 C ATOM 18 CD1 ILE A 2 4.232 -5.732 -2.318 1.00 73.02 C ATOM 0 H ILE A 2 2.295 -1.402 -3.877 1.00 71.23 H new ATOM 0 HA ILE A 2 3.661 -3.126 -1.910 1.00 61.34 H new ATOM 0 HB ILE A 2 1.981 -4.381 -3.158 1.00 21.10 H new ATOM 0 HG12 ILE A 2 3.441 -6.056 -4.273 1.00 11.25 H new ATOM 0 HG13 ILE A 2 4.778 -4.925 -4.216 1.00 11.25 H new ATOM 0 HG21 ILE A 2 2.062 -4.546 -5.614 1.00 60.22 H new ATOM 0 HG22 ILE A 2 1.754 -2.877 -5.077 1.00 60.22 H new ATOM 0 HG23 ILE A 2 3.374 -3.344 -5.648 1.00 60.22 H new ATOM 0 HD11 ILE A 2 4.936 -6.560 -2.403 1.00 73.02 H new ATOM 0 HD12 ILE A 2 4.690 -4.923 -1.748 1.00 73.02 H new ATOM 0 HD13 ILE A 2 3.332 -6.072 -1.806 1.00 73.02 H new ATOM 30 N THR A 3 4.772 -1.538 -4.531 1.00 62.22 N ATOM 31 CA THR A 3 5.971 -1.097 -5.232 1.00 5.32 C ATOM 32 C THR A 3 7.043 -0.636 -4.251 1.00 23.04 C ATOM 33 O THR A 3 8.234 -0.655 -4.563 1.00 71.21 O ATOM 34 CB THR A 3 5.660 0.051 -6.210 1.00 51.34 C ATOM 35 OG1 THR A 3 5.104 1.163 -5.500 1.00 13.20 O ATOM 36 CG2 THR A 3 4.689 -0.405 -7.289 1.00 34.35 C ATOM 0 H THR A 3 3.918 -1.055 -4.811 1.00 62.22 H new ATOM 0 HA THR A 3 6.341 -1.954 -5.795 1.00 5.32 H new ATOM 0 HB THR A 3 6.592 0.355 -6.687 1.00 51.34 H new ATOM 0 HG1 THR A 3 4.911 1.889 -6.129 1.00 13.20 H new ATOM 0 HG21 THR A 3 4.484 0.423 -7.968 1.00 34.35 H new ATOM 0 HG22 THR A 3 5.128 -1.232 -7.847 1.00 34.35 H new ATOM 0 HG23 THR A 3 3.758 -0.733 -6.826 1.00 34.35 H new ATOM 44 N ASP A 4 6.614 -0.223 -3.063 1.00 74.14 N ATOM 45 CA ASP A 4 7.537 0.241 -2.035 1.00 4.11 C ATOM 46 C ASP A 4 8.526 -0.857 -1.657 1.00 64.21 C ATOM 47 O ASP A 4 9.587 -0.584 -1.093 1.00 75.14 O ATOM 48 CB ASP A 4 6.767 0.699 -0.796 1.00 34.12 C ATOM 49 CG ASP A 4 6.230 2.110 -0.936 1.00 64.00 C ATOM 50 OD1 ASP A 4 6.985 2.988 -1.404 1.00 3.21 O ATOM 51 OD2 ASP A 4 5.056 2.336 -0.579 1.00 35.02 O ATOM 0 H ASP A 4 5.632 -0.200 -2.789 1.00 74.14 H new ATOM 0 HA ASP A 4 8.096 1.086 -2.438 1.00 4.11 H new ATOM 0 HB2 ASP A 4 5.939 0.015 -0.613 1.00 34.12 H new ATOM 0 HB3 ASP A 4 7.421 0.647 0.074 1.00 34.12 H new ATOM 56 N ILE A 5 8.172 -2.099 -1.970 1.00 52.12 N ATOM 57 CA ILE A 5 9.028 -3.238 -1.663 1.00 42.33 C ATOM 58 C ILE A 5 9.444 -3.971 -2.934 1.00 71.11 C ATOM 59 O ILE A 5 10.620 -4.283 -3.128 1.00 13.03 O ATOM 60 CB ILE A 5 8.327 -4.230 -0.717 1.00 62.42 C ATOM 61 CG1 ILE A 5 7.305 -3.501 0.157 1.00 4.40 C ATOM 62 CG2 ILE A 5 9.351 -4.952 0.146 1.00 61.51 C ATOM 63 CD1 ILE A 5 6.612 -4.401 1.155 1.00 13.23 C ATOM 0 H ILE A 5 7.298 -2.342 -2.436 1.00 52.12 H new ATOM 0 HA ILE A 5 9.915 -2.842 -1.168 1.00 42.33 H new ATOM 0 HB ILE A 5 7.799 -4.971 -1.318 1.00 62.42 H new ATOM 0 HG12 ILE A 5 7.807 -2.696 0.693 1.00 4.40 H new ATOM 0 HG13 ILE A 5 6.555 -3.038 -0.484 1.00 4.40 H new ATOM 0 HG21 ILE A 5 8.840 -5.650 0.810 1.00 61.51 H new ATOM 0 HG22 ILE A 5 10.044 -5.500 -0.493 1.00 61.51 H new ATOM 0 HG23 ILE A 5 9.904 -4.224 0.741 1.00 61.51 H new ATOM 0 HD11 ILE A 5 5.902 -3.817 1.740 1.00 13.23 H new ATOM 0 HD12 ILE A 5 6.082 -5.192 0.625 1.00 13.23 H new ATOM 0 HD13 ILE A 5 7.353 -4.844 1.821 1.00 13.23 H new ATOM 75 N LEU A 6 8.472 -4.242 -3.799 1.00 24.35 N ATOM 76 CA LEU A 6 8.737 -4.938 -5.053 1.00 51.34 C ATOM 77 C LEU A 6 8.885 -3.947 -6.204 1.00 72.40 C ATOM 78 O LEU A 6 8.825 -2.734 -6.004 1.00 22.33 O ATOM 79 CB LEU A 6 7.611 -5.927 -5.358 1.00 53.14 C ATOM 80 CG LEU A 6 7.891 -7.390 -5.013 1.00 55.11 C ATOM 81 CD1 LEU A 6 8.455 -7.508 -3.606 1.00 44.30 C ATOM 82 CD2 LEU A 6 6.624 -8.223 -5.153 1.00 5.50 C ATOM 0 H LEU A 6 7.494 -3.990 -3.655 1.00 24.35 H new ATOM 0 HA LEU A 6 9.673 -5.485 -4.946 1.00 51.34 H new ATOM 0 HB2 LEU A 6 6.720 -5.611 -4.816 1.00 53.14 H new ATOM 0 HB3 LEU A 6 7.377 -5.864 -6.421 1.00 53.14 H new ATOM 0 HG LEU A 6 8.633 -7.773 -5.713 1.00 55.11 H new ATOM 0 HD11 LEU A 6 8.648 -8.556 -3.378 1.00 44.30 H new ATOM 0 HD12 LEU A 6 9.386 -6.945 -3.539 1.00 44.30 H new ATOM 0 HD13 LEU A 6 7.736 -7.108 -2.891 1.00 44.30 H new ATOM 0 HD21 LEU A 6 6.842 -9.261 -4.904 1.00 5.50 H new ATOM 0 HD22 LEU A 6 5.860 -7.840 -4.476 1.00 5.50 H new ATOM 0 HD23 LEU A 6 6.262 -8.165 -6.179 1.00 5.50 H new ATOM 94 N SER A 7 9.076 -4.473 -7.410 1.00 30.23 N ATOM 95 CA SER A 7 9.234 -3.635 -8.593 1.00 31.52 C ATOM 96 C SER A 7 8.107 -3.887 -9.591 1.00 4.34 C ATOM 97 O SER A 7 7.805 -5.031 -9.927 1.00 63.11 O ATOM 98 CB SER A 7 10.587 -3.902 -9.256 1.00 34.23 C ATOM 99 OG SER A 7 11.590 -3.053 -8.726 1.00 62.42 O ATOM 0 H SER A 7 9.125 -5.475 -7.593 1.00 30.23 H new ATOM 0 HA SER A 7 9.191 -2.592 -8.278 1.00 31.52 H new ATOM 0 HB2 SER A 7 10.870 -4.944 -9.105 1.00 34.23 H new ATOM 0 HB3 SER A 7 10.506 -3.747 -10.332 1.00 34.23 H new ATOM 0 HG SER A 7 12.445 -3.244 -9.164 1.00 62.42 H new ATOM 105 N ALA A 8 7.490 -2.808 -10.060 1.00 14.42 N ATOM 106 CA ALA A 8 6.398 -2.909 -11.020 1.00 71.54 C ATOM 107 C ALA A 8 6.883 -3.495 -12.342 1.00 52.34 C ATOM 108 O ALA A 8 6.112 -4.107 -13.082 1.00 43.02 O ATOM 109 CB ALA A 8 5.764 -1.545 -11.246 1.00 3.31 C ATOM 0 H ALA A 8 7.728 -1.853 -9.791 1.00 14.42 H new ATOM 0 HA ALA A 8 5.646 -3.582 -10.608 1.00 71.54 H new ATOM 0 HB1 ALA A 8 4.950 -1.637 -11.965 1.00 3.31 H new ATOM 0 HB2 ALA A 8 5.373 -1.165 -10.302 1.00 3.31 H new ATOM 0 HB3 ALA A 8 6.514 -0.855 -11.633 1.00 3.31 H new ATOM 115 N LYS A 9 8.165 -3.302 -12.635 1.00 34.24 N ATOM 116 CA LYS A 9 8.754 -3.811 -13.867 1.00 74.15 C ATOM 117 C LYS A 9 9.244 -5.244 -13.685 1.00 51.12 C ATOM 118 O LYS A 9 9.860 -5.818 -14.583 1.00 63.01 O ATOM 119 CB LYS A 9 9.914 -2.916 -14.310 1.00 75.31 C ATOM 120 CG LYS A 9 10.078 -2.835 -15.818 1.00 13.31 C ATOM 121 CD LYS A 9 11.067 -1.751 -16.213 1.00 73.13 C ATOM 122 CE LYS A 9 10.743 -1.174 -17.583 1.00 11.33 C ATOM 123 NZ LYS A 9 11.063 -2.130 -18.678 1.00 24.40 N ATOM 0 H LYS A 9 8.816 -2.796 -12.035 1.00 34.24 H new ATOM 0 HA LYS A 9 7.983 -3.805 -14.638 1.00 74.15 H new ATOM 0 HB2 LYS A 9 9.758 -1.912 -13.915 1.00 75.31 H new ATOM 0 HB3 LYS A 9 10.839 -3.291 -13.872 1.00 75.31 H new ATOM 0 HG2 LYS A 9 10.419 -3.797 -16.200 1.00 13.31 H new ATOM 0 HG3 LYS A 9 9.112 -2.633 -16.280 1.00 13.31 H new ATOM 0 HD2 LYS A 9 11.052 -0.955 -15.469 1.00 73.13 H new ATOM 0 HD3 LYS A 9 12.076 -2.163 -16.220 1.00 73.13 H new ATOM 0 HE2 LYS A 9 9.686 -0.913 -17.626 1.00 11.33 H new ATOM 0 HE3 LYS A 9 11.305 -0.252 -17.731 1.00 11.33 H new ATOM 0 HZ1 LYS A 9 10.828 -1.699 -19.595 1.00 24.40 H new ATOM 0 HZ2 LYS A 9 12.077 -2.359 -18.653 1.00 24.40 H new ATOM 0 HZ3 LYS A 9 10.508 -3.000 -18.552 1.00 24.40 H new ATOM 137 N ASP A 10 8.965 -5.816 -12.519 1.00 42.21 N ATOM 138 CA ASP A 10 9.376 -7.183 -12.220 1.00 52.14 C ATOM 139 C ASP A 10 8.170 -8.046 -11.862 1.00 23.24 C ATOM 140 O ASP A 10 8.137 -9.240 -12.164 1.00 5.55 O ATOM 141 CB ASP A 10 10.387 -7.195 -11.073 1.00 62.21 C ATOM 142 CG ASP A 10 11.579 -6.298 -11.342 1.00 40.34 C ATOM 143 OD1 ASP A 10 11.708 -5.811 -12.485 1.00 2.43 O ATOM 144 OD2 ASP A 10 12.383 -6.083 -10.411 1.00 21.20 O ATOM 0 H ASP A 10 8.456 -5.354 -11.765 1.00 42.21 H new ATOM 0 HA ASP A 10 9.846 -7.599 -13.111 1.00 52.14 H new ATOM 0 HB2 ASP A 10 9.894 -6.874 -10.155 1.00 62.21 H new ATOM 0 HB3 ASP A 10 10.734 -8.215 -10.909 1.00 62.21 H new ATOM 149 N ILE A 11 7.183 -7.435 -11.215 1.00 61.52 N ATOM 150 CA ILE A 11 5.976 -8.148 -10.816 1.00 23.55 C ATOM 151 C ILE A 11 5.230 -8.691 -12.030 1.00 43.40 C ATOM 152 O ILE A 11 5.002 -9.894 -12.143 1.00 70.44 O ATOM 153 CB ILE A 11 5.029 -7.242 -10.007 1.00 74.44 C ATOM 154 CG1 ILE A 11 5.702 -6.792 -8.710 1.00 1.34 C ATOM 155 CG2 ILE A 11 3.726 -7.970 -9.710 1.00 21.03 C ATOM 156 CD1 ILE A 11 5.288 -5.407 -8.264 1.00 5.25 C ATOM 0 H ILE A 11 7.196 -6.448 -10.956 1.00 61.52 H new ATOM 0 HA ILE A 11 6.294 -8.980 -10.188 1.00 23.55 H new ATOM 0 HB ILE A 11 4.801 -6.357 -10.601 1.00 74.44 H new ATOM 0 HG12 ILE A 11 5.465 -7.505 -7.921 1.00 1.34 H new ATOM 0 HG13 ILE A 11 6.783 -6.814 -8.845 1.00 1.34 H new ATOM 0 HG21 ILE A 11 3.067 -7.317 -9.138 1.00 21.03 H new ATOM 0 HG22 ILE A 11 3.241 -8.245 -10.647 1.00 21.03 H new ATOM 0 HG23 ILE A 11 3.936 -8.870 -9.133 1.00 21.03 H new ATOM 0 HD11 ILE A 11 5.804 -5.154 -7.338 1.00 5.25 H new ATOM 0 HD12 ILE A 11 5.550 -4.683 -9.035 1.00 5.25 H new ATOM 0 HD13 ILE A 11 4.211 -5.385 -8.097 1.00 5.25 H new ATOM 168 N GLU A 12 4.855 -7.793 -12.936 1.00 71.32 N ATOM 169 CA GLU A 12 4.136 -8.183 -14.143 1.00 55.34 C ATOM 170 C GLU A 12 5.029 -9.005 -15.067 1.00 73.45 C ATOM 171 O GLU A 12 4.547 -9.843 -15.830 1.00 52.23 O ATOM 172 CB GLU A 12 3.624 -6.944 -14.881 1.00 12.41 C ATOM 173 CG GLU A 12 4.694 -6.232 -15.691 1.00 62.45 C ATOM 174 CD GLU A 12 4.312 -4.807 -16.039 1.00 1.42 C ATOM 175 OE1 GLU A 12 3.236 -4.356 -15.593 1.00 74.43 O ATOM 176 OE2 GLU A 12 5.088 -4.141 -16.756 1.00 25.54 O ATOM 0 H GLU A 12 5.037 -6.792 -12.857 1.00 71.32 H new ATOM 0 HA GLU A 12 3.286 -8.798 -13.846 1.00 55.34 H new ATOM 0 HB2 GLU A 12 2.812 -7.238 -15.546 1.00 12.41 H new ATOM 0 HB3 GLU A 12 3.205 -6.247 -14.155 1.00 12.41 H new ATOM 0 HG2 GLU A 12 5.627 -6.227 -15.128 1.00 62.45 H new ATOM 0 HG3 GLU A 12 4.879 -6.789 -16.609 1.00 62.45 H new ATOM 183 N SER A 13 6.333 -8.760 -14.993 1.00 51.32 N ATOM 184 CA SER A 13 7.294 -9.474 -15.826 1.00 11.24 C ATOM 185 C SER A 13 7.633 -10.833 -15.220 1.00 52.42 C ATOM 186 O SER A 13 8.442 -11.582 -15.765 1.00 25.43 O ATOM 187 CB SER A 13 8.569 -8.646 -15.994 1.00 41.42 C ATOM 188 OG SER A 13 9.323 -9.092 -17.108 1.00 4.41 O ATOM 0 H SER A 13 6.749 -8.072 -14.365 1.00 51.32 H new ATOM 0 HA SER A 13 6.842 -9.634 -16.805 1.00 11.24 H new ATOM 0 HB2 SER A 13 8.310 -7.595 -16.123 1.00 41.42 H new ATOM 0 HB3 SER A 13 9.174 -8.716 -15.090 1.00 41.42 H new ATOM 0 HG SER A 13 9.342 -10.072 -17.119 1.00 4.41 H new ATOM 194 N ALA A 14 7.007 -11.142 -14.090 1.00 34.44 N ATOM 195 CA ALA A 14 7.239 -12.411 -13.410 1.00 43.13 C ATOM 196 C ALA A 14 6.005 -13.304 -13.477 1.00 50.11 C ATOM 197 O ALA A 14 6.101 -14.525 -13.344 1.00 43.31 O ATOM 198 CB ALA A 14 7.640 -12.169 -11.963 1.00 0.53 C ATOM 0 H ALA A 14 6.335 -10.531 -13.625 1.00 34.44 H new ATOM 0 HA ALA A 14 8.054 -12.924 -13.920 1.00 43.13 H new ATOM 0 HB1 ALA A 14 7.810 -13.125 -11.468 1.00 0.53 H new ATOM 0 HB2 ALA A 14 8.555 -11.577 -11.933 1.00 0.53 H new ATOM 0 HB3 ALA A 14 6.843 -11.631 -11.450 1.00 0.53 H new ATOM 204 N LEU A 15 4.846 -12.689 -13.683 1.00 51.51 N ATOM 205 CA LEU A 15 3.591 -13.428 -13.767 1.00 23.21 C ATOM 206 C LEU A 15 3.512 -14.221 -15.068 1.00 1.51 C ATOM 207 O LEU A 15 3.224 -15.417 -15.061 1.00 23.31 O ATOM 208 CB LEU A 15 2.404 -12.469 -13.667 1.00 75.44 C ATOM 209 CG LEU A 15 2.212 -11.776 -12.318 1.00 41.32 C ATOM 210 CD1 LEU A 15 1.636 -10.381 -12.512 1.00 23.52 C ATOM 211 CD2 LEU A 15 1.312 -12.606 -11.415 1.00 11.23 C ATOM 0 H LEU A 15 4.749 -11.680 -13.795 1.00 51.51 H new ATOM 0 HA LEU A 15 3.554 -14.129 -12.933 1.00 23.21 H new ATOM 0 HB2 LEU A 15 2.517 -11.702 -14.434 1.00 75.44 H new ATOM 0 HB3 LEU A 15 1.495 -13.023 -13.901 1.00 75.44 H new ATOM 0 HG LEU A 15 3.186 -11.681 -11.838 1.00 41.32 H new ATOM 0 HD11 LEU A 15 1.506 -9.903 -11.541 1.00 23.52 H new ATOM 0 HD12 LEU A 15 2.318 -9.787 -13.121 1.00 23.52 H new ATOM 0 HD13 LEU A 15 0.671 -10.452 -13.013 1.00 23.52 H new ATOM 0 HD21 LEU A 15 1.187 -12.097 -10.459 1.00 11.23 H new ATOM 0 HD22 LEU A 15 0.339 -12.733 -11.889 1.00 11.23 H new ATOM 0 HD23 LEU A 15 1.765 -13.583 -11.249 1.00 11.23 H new ATOM 223 N SER A 16 3.772 -13.545 -16.183 1.00 34.11 N ATOM 224 CA SER A 16 3.728 -14.186 -17.492 1.00 43.42 C ATOM 225 C SER A 16 5.040 -14.907 -17.788 1.00 33.03 C ATOM 226 O SER A 16 5.214 -15.487 -18.859 1.00 70.42 O ATOM 227 CB SER A 16 3.447 -13.149 -18.581 1.00 53.15 C ATOM 228 OG SER A 16 3.591 -11.831 -18.081 1.00 33.13 O ATOM 0 H SER A 16 4.015 -12.555 -16.206 1.00 34.11 H new ATOM 0 HA SER A 16 2.923 -14.921 -17.483 1.00 43.42 H new ATOM 0 HB2 SER A 16 4.130 -13.301 -19.417 1.00 53.15 H new ATOM 0 HB3 SER A 16 2.437 -13.287 -18.966 1.00 53.15 H new ATOM 0 HG SER A 16 4.531 -11.667 -17.858 1.00 33.13 H new ATOM 234 N SER A 17 5.960 -14.866 -16.829 1.00 55.21 N ATOM 235 CA SER A 17 7.257 -15.512 -16.987 1.00 3.34 C ATOM 236 C SER A 17 7.192 -16.975 -16.558 1.00 53.51 C ATOM 237 O SER A 17 7.866 -17.831 -17.131 1.00 30.42 O ATOM 238 CB SER A 17 8.320 -14.776 -16.168 1.00 13.11 C ATOM 239 OG SER A 17 8.999 -13.816 -16.959 1.00 14.23 O ATOM 0 H SER A 17 5.831 -14.392 -15.935 1.00 55.21 H new ATOM 0 HA SER A 17 7.528 -15.472 -18.042 1.00 3.34 H new ATOM 0 HB2 SER A 17 7.851 -14.284 -15.316 1.00 13.11 H new ATOM 0 HB3 SER A 17 9.036 -15.493 -15.767 1.00 13.11 H new ATOM 0 HG SER A 17 8.998 -12.952 -16.497 1.00 14.23 H new ATOM 245 N CYS A 18 6.375 -17.252 -15.548 1.00 24.13 N ATOM 246 CA CYS A 18 6.221 -18.611 -15.040 1.00 41.05 C ATOM 247 C CYS A 18 4.834 -19.158 -15.364 1.00 5.23 C ATOM 248 O CYS A 18 4.148 -19.689 -14.491 1.00 41.12 O ATOM 249 CB CYS A 18 6.456 -18.643 -13.530 1.00 30.44 C ATOM 250 SG CYS A 18 5.375 -17.540 -12.591 1.00 14.44 S ATOM 0 H CYS A 18 5.809 -16.554 -15.065 1.00 24.13 H new ATOM 0 HA CYS A 18 6.964 -19.242 -15.528 1.00 41.05 H new ATOM 0 HB2 CYS A 18 6.315 -19.663 -13.173 1.00 30.44 H new ATOM 0 HB3 CYS A 18 7.493 -18.375 -13.329 1.00 30.44 H new ATOM 0 HG CYS A 18 5.671 -16.304 -12.867 1.00 14.44 H new ATOM 256 N GLN A 19 4.429 -19.022 -16.622 1.00 62.32 N ATOM 257 CA GLN A 19 3.123 -19.501 -17.059 1.00 41.14 C ATOM 258 C GLN A 19 3.264 -20.728 -17.953 1.00 64.35 C ATOM 259 O GLN A 19 2.274 -21.368 -18.307 1.00 24.34 O ATOM 260 CB GLN A 19 2.375 -18.395 -17.806 1.00 32.03 C ATOM 261 CG GLN A 19 1.697 -17.392 -16.886 1.00 74.14 C ATOM 262 CD GLN A 19 0.290 -17.810 -16.503 1.00 45.53 C ATOM 263 OE1 GLN A 19 -0.604 -17.868 -17.348 1.00 1.04 O ATOM 264 NE2 GLN A 19 0.088 -18.103 -15.224 1.00 55.12 N ATOM 0 H GLN A 19 4.986 -18.584 -17.356 1.00 62.32 H new ATOM 0 HA GLN A 19 2.553 -19.783 -16.174 1.00 41.14 H new ATOM 0 HB2 GLN A 19 3.075 -17.867 -18.453 1.00 32.03 H new ATOM 0 HB3 GLN A 19 1.624 -18.848 -18.453 1.00 32.03 H new ATOM 0 HG2 GLN A 19 2.295 -17.271 -15.983 1.00 74.14 H new ATOM 0 HG3 GLN A 19 1.662 -16.420 -17.377 1.00 74.14 H new ATOM 0 HE21 GLN A 19 0.859 -18.041 -14.559 1.00 55.12 H new ATOM 0 HE22 GLN A 19 -0.838 -18.390 -14.907 1.00 55.12 H new ATOM 273 N ALA A 20 4.502 -21.051 -18.316 1.00 54.44 N ATOM 274 CA ALA A 20 4.772 -22.202 -19.168 1.00 24.20 C ATOM 275 C ALA A 20 5.560 -23.269 -18.415 1.00 11.13 C ATOM 276 O ALA A 20 5.733 -23.184 -17.199 1.00 50.43 O ATOM 277 CB ALA A 20 5.527 -21.770 -20.416 1.00 52.54 C ATOM 0 H ALA A 20 5.333 -20.531 -18.033 1.00 54.44 H new ATOM 0 HA ALA A 20 3.817 -22.634 -19.466 1.00 24.20 H new ATOM 0 HB1 ALA A 20 5.722 -22.640 -21.043 1.00 52.54 H new ATOM 0 HB2 ALA A 20 4.928 -21.049 -20.972 1.00 52.54 H new ATOM 0 HB3 ALA A 20 6.473 -21.311 -20.128 1.00 52.54 H new ATOM 283 N ALA A 21 6.034 -24.273 -19.144 1.00 64.24 N ATOM 284 CA ALA A 21 6.805 -25.356 -18.545 1.00 14.21 C ATOM 285 C ALA A 21 8.301 -25.137 -18.739 1.00 23.52 C ATOM 286 O ALA A 21 9.115 -25.608 -17.944 1.00 0.24 O ATOM 287 CB ALA A 21 6.383 -26.693 -19.136 1.00 24.23 C ATOM 0 H ALA A 21 5.898 -24.360 -20.151 1.00 64.24 H new ATOM 0 HA ALA A 21 6.602 -25.365 -17.474 1.00 14.21 H new ATOM 0 HB1 ALA A 21 6.967 -27.493 -18.680 1.00 24.23 H new ATOM 0 HB2 ALA A 21 5.324 -26.859 -18.940 1.00 24.23 H new ATOM 0 HB3 ALA A 21 6.556 -26.686 -20.212 1.00 24.23 H new ATOM 293 N ASP A 22 8.657 -24.422 -19.800 1.00 64.53 N ATOM 294 CA ASP A 22 10.057 -24.142 -20.098 1.00 50.44 C ATOM 295 C ASP A 22 10.342 -22.646 -20.010 1.00 53.54 C ATOM 296 O ASP A 22 11.411 -22.183 -20.407 1.00 50.45 O ATOM 297 CB ASP A 22 10.418 -24.661 -21.491 1.00 21.11 C ATOM 298 CG ASP A 22 11.907 -24.587 -21.768 1.00 53.25 C ATOM 299 OD1 ASP A 22 12.651 -25.439 -21.241 1.00 23.01 O ATOM 300 OD2 ASP A 22 12.327 -23.676 -22.513 1.00 2.05 O ATOM 0 H ASP A 22 7.996 -24.026 -20.468 1.00 64.53 H new ATOM 0 HA ASP A 22 10.670 -24.655 -19.357 1.00 50.44 H new ATOM 0 HB2 ASP A 22 10.084 -25.694 -21.589 1.00 21.11 H new ATOM 0 HB3 ASP A 22 9.882 -24.080 -22.242 1.00 21.11 H new ATOM 305 N SER A 23 9.377 -21.894 -19.489 1.00 22.45 N ATOM 306 CA SER A 23 9.522 -20.450 -19.353 1.00 2.20 C ATOM 307 C SER A 23 10.243 -20.095 -18.056 1.00 65.51 C ATOM 308 O SER A 23 10.939 -19.083 -17.976 1.00 11.33 O ATOM 309 CB SER A 23 8.151 -19.773 -19.388 1.00 54.23 C ATOM 310 OG SER A 23 8.275 -18.381 -19.621 1.00 50.53 O ATOM 0 H SER A 23 8.486 -22.262 -19.154 1.00 22.45 H new ATOM 0 HA SER A 23 10.119 -20.090 -20.191 1.00 2.20 H new ATOM 0 HB2 SER A 23 7.540 -20.223 -20.171 1.00 54.23 H new ATOM 0 HB3 SER A 23 7.634 -19.942 -18.443 1.00 54.23 H new ATOM 0 HG SER A 23 8.520 -17.930 -18.786 1.00 50.53 H new ATOM 316 N PHE A 24 10.072 -20.937 -17.042 1.00 64.53 N ATOM 317 CA PHE A 24 10.706 -20.714 -15.748 1.00 34.12 C ATOM 318 C PHE A 24 12.040 -21.449 -15.661 1.00 42.21 C ATOM 319 O PHE A 24 12.135 -22.515 -15.055 1.00 64.22 O ATOM 320 CB PHE A 24 9.782 -21.175 -14.618 1.00 63.43 C ATOM 321 CG PHE A 24 10.386 -21.026 -13.251 1.00 44.23 C ATOM 322 CD1 PHE A 24 10.940 -19.820 -12.852 1.00 51.13 C ATOM 323 CD2 PHE A 24 10.400 -22.091 -12.365 1.00 44.22 C ATOM 324 CE1 PHE A 24 11.497 -19.680 -11.595 1.00 41.13 C ATOM 325 CE2 PHE A 24 10.956 -21.957 -11.107 1.00 11.34 C ATOM 326 CZ PHE A 24 11.504 -20.749 -10.721 1.00 20.20 C ATOM 0 H PHE A 24 9.500 -21.780 -17.092 1.00 64.53 H new ATOM 0 HA PHE A 24 10.893 -19.645 -15.643 1.00 34.12 H new ATOM 0 HB2 PHE A 24 8.855 -20.603 -14.661 1.00 63.43 H new ATOM 0 HB3 PHE A 24 9.519 -22.221 -14.778 1.00 63.43 H new ATOM 0 HD1 PHE A 24 10.936 -18.980 -13.531 1.00 51.13 H new ATOM 0 HD2 PHE A 24 9.971 -23.037 -12.661 1.00 44.22 H new ATOM 0 HE1 PHE A 24 11.927 -18.735 -11.296 1.00 41.13 H new ATOM 0 HE2 PHE A 24 10.962 -22.796 -10.426 1.00 11.34 H new ATOM 0 HZ PHE A 24 11.937 -20.641 -9.738 1.00 20.20 H new ATOM 336 N ASN A 25 13.068 -20.870 -16.272 1.00 44.44 N ATOM 337 CA ASN A 25 14.398 -21.469 -16.266 1.00 31.12 C ATOM 338 C ASN A 25 15.345 -20.682 -15.366 1.00 3.33 C ATOM 339 O ASN A 25 14.938 -19.728 -14.701 1.00 61.52 O ATOM 340 CB ASN A 25 14.960 -21.530 -17.688 1.00 12.44 C ATOM 341 CG ASN A 25 15.464 -20.182 -18.168 1.00 73.40 C ATOM 342 OD1 ASN A 25 16.670 -19.944 -18.228 1.00 40.14 O ATOM 343 ND2 ASN A 25 14.539 -19.294 -18.512 1.00 42.44 N ATOM 0 H ASN A 25 13.006 -19.986 -16.778 1.00 44.44 H new ATOM 0 HA ASN A 25 14.311 -22.482 -15.874 1.00 31.12 H new ATOM 0 HB2 ASN A 25 15.775 -22.253 -17.723 1.00 12.44 H new ATOM 0 HB3 ASN A 25 14.186 -21.888 -18.367 1.00 12.44 H new ATOM 0 HD21 ASN A 25 14.817 -18.370 -18.843 1.00 42.44 H new ATOM 0 HD22 ASN A 25 13.550 -19.536 -18.446 1.00 42.44 H new ATOM 350 N TYR A 26 16.610 -21.086 -15.350 1.00 23.40 N ATOM 351 CA TYR A 26 17.616 -20.420 -14.530 1.00 73.35 C ATOM 352 C TYR A 26 17.586 -18.911 -14.751 1.00 60.14 C ATOM 353 O TYR A 26 17.853 -18.132 -13.836 1.00 42.24 O ATOM 354 CB TYR A 26 19.008 -20.967 -14.850 1.00 42.54 C ATOM 355 CG TYR A 26 19.277 -21.109 -16.331 1.00 61.54 C ATOM 356 CD1 TYR A 26 19.674 -20.018 -17.094 1.00 72.22 C ATOM 357 CD2 TYR A 26 19.135 -22.337 -16.968 1.00 2.43 C ATOM 358 CE1 TYR A 26 19.920 -20.144 -18.448 1.00 33.23 C ATOM 359 CE2 TYR A 26 19.380 -22.472 -18.321 1.00 23.35 C ATOM 360 CZ TYR A 26 19.772 -21.373 -19.056 1.00 72.22 C ATOM 361 OH TYR A 26 20.017 -21.503 -20.404 1.00 22.21 O ATOM 0 H TYR A 26 16.964 -21.872 -15.896 1.00 23.40 H new ATOM 0 HA TYR A 26 17.387 -20.620 -13.483 1.00 73.35 H new ATOM 0 HB2 TYR A 26 19.758 -20.306 -14.415 1.00 42.54 H new ATOM 0 HB3 TYR A 26 19.125 -21.940 -14.373 1.00 42.54 H new ATOM 0 HD1 TYR A 26 19.792 -19.055 -16.621 1.00 72.22 H new ATOM 0 HD2 TYR A 26 18.828 -23.200 -16.395 1.00 2.43 H new ATOM 0 HE1 TYR A 26 20.226 -19.285 -19.027 1.00 33.23 H new ATOM 0 HE2 TYR A 26 19.265 -23.433 -18.800 1.00 23.35 H new ATOM 0 HH TYR A 26 19.868 -22.433 -20.675 1.00 22.21 H new ATOM 371 N LYS A 27 17.258 -18.505 -15.973 1.00 63.14 N ATOM 372 CA LYS A 27 17.191 -17.090 -16.318 1.00 13.25 C ATOM 373 C LYS A 27 15.952 -16.440 -15.709 1.00 31.51 C ATOM 374 O LYS A 27 16.031 -15.364 -15.117 1.00 60.01 O ATOM 375 CB LYS A 27 17.177 -16.914 -17.838 1.00 3.54 C ATOM 376 CG LYS A 27 18.552 -17.023 -18.475 1.00 12.33 C ATOM 377 CD LYS A 27 19.153 -15.653 -18.743 1.00 35.01 C ATOM 378 CE LYS A 27 20.668 -15.721 -18.855 1.00 71.31 C ATOM 379 NZ LYS A 27 21.289 -14.368 -18.814 1.00 74.34 N ATOM 0 H LYS A 27 17.034 -19.137 -16.742 1.00 63.14 H new ATOM 0 HA LYS A 27 18.075 -16.600 -15.910 1.00 13.25 H new ATOM 0 HB2 LYS A 27 16.522 -17.667 -18.277 1.00 3.54 H new ATOM 0 HB3 LYS A 27 16.750 -15.940 -18.079 1.00 3.54 H new ATOM 0 HG2 LYS A 27 19.214 -17.590 -17.820 1.00 12.33 H new ATOM 0 HG3 LYS A 27 18.478 -17.578 -19.410 1.00 12.33 H new ATOM 0 HD2 LYS A 27 18.737 -15.246 -19.665 1.00 35.01 H new ATOM 0 HD3 LYS A 27 18.877 -14.970 -17.940 1.00 35.01 H new ATOM 0 HE2 LYS A 27 21.065 -16.328 -18.041 1.00 71.31 H new ATOM 0 HE3 LYS A 27 20.941 -16.218 -19.786 1.00 71.31 H new ATOM 0 HZ1 LYS A 27 22.322 -14.458 -18.893 1.00 74.34 H new ATOM 0 HZ2 LYS A 27 20.929 -13.797 -19.605 1.00 74.34 H new ATOM 0 HZ3 LYS A 27 21.050 -13.903 -17.915 1.00 74.34 H new ATOM 393 N SER A 28 14.809 -17.102 -15.857 1.00 71.52 N ATOM 394 CA SER A 28 13.553 -16.588 -15.324 1.00 31.10 C ATOM 395 C SER A 28 13.681 -16.279 -13.835 1.00 73.24 C ATOM 396 O SER A 28 13.245 -15.227 -13.368 1.00 52.34 O ATOM 397 CB SER A 28 12.426 -17.598 -15.552 1.00 41.40 C ATOM 398 OG SER A 28 11.170 -16.948 -15.643 1.00 41.25 O ATOM 0 H SER A 28 14.727 -17.996 -16.342 1.00 71.52 H new ATOM 0 HA SER A 28 13.315 -15.664 -15.850 1.00 31.10 H new ATOM 0 HB2 SER A 28 12.616 -18.159 -16.467 1.00 41.40 H new ATOM 0 HB3 SER A 28 12.408 -18.318 -14.734 1.00 41.40 H new ATOM 0 HG SER A 28 10.635 -17.367 -16.349 1.00 41.25 H new ATOM 404 N PHE A 29 14.282 -17.205 -13.095 1.00 53.30 N ATOM 405 CA PHE A 29 14.467 -17.033 -11.659 1.00 31.12 C ATOM 406 C PHE A 29 15.214 -15.737 -11.358 1.00 14.04 C ATOM 407 O PHE A 29 15.077 -15.165 -10.276 1.00 32.42 O ATOM 408 CB PHE A 29 15.232 -18.223 -11.076 1.00 62.10 C ATOM 409 CG PHE A 29 15.522 -18.089 -9.608 1.00 44.55 C ATOM 410 CD1 PHE A 29 16.611 -17.353 -9.169 1.00 12.34 C ATOM 411 CD2 PHE A 29 14.707 -18.699 -8.669 1.00 10.51 C ATOM 412 CE1 PHE A 29 16.881 -17.227 -7.819 1.00 14.52 C ATOM 413 CE2 PHE A 29 14.971 -18.576 -7.318 1.00 4.41 C ATOM 414 CZ PHE A 29 16.060 -17.840 -6.892 1.00 42.24 C ATOM 0 H PHE A 29 14.649 -18.082 -13.466 1.00 53.30 H new ATOM 0 HA PHE A 29 13.482 -16.980 -11.195 1.00 31.12 H new ATOM 0 HB2 PHE A 29 14.655 -19.132 -11.243 1.00 62.10 H new ATOM 0 HB3 PHE A 29 16.172 -18.339 -11.615 1.00 62.10 H new ATOM 0 HD1 PHE A 29 17.256 -16.872 -9.890 1.00 12.34 H new ATOM 0 HD2 PHE A 29 13.856 -19.277 -8.996 1.00 10.51 H new ATOM 0 HE1 PHE A 29 17.733 -16.650 -7.489 1.00 14.52 H new ATOM 0 HE2 PHE A 29 14.327 -19.055 -6.596 1.00 4.41 H new ATOM 0 HZ PHE A 29 16.269 -17.744 -5.837 1.00 42.24 H new ATOM 424 N PHE A 30 16.005 -15.279 -12.322 1.00 55.04 N ATOM 425 CA PHE A 30 16.775 -14.051 -12.161 1.00 71.42 C ATOM 426 C PHE A 30 15.905 -12.825 -12.423 1.00 63.20 C ATOM 427 O PHE A 30 16.043 -11.799 -11.757 1.00 64.20 O ATOM 428 CB PHE A 30 17.977 -14.050 -13.108 1.00 75.24 C ATOM 429 CG PHE A 30 18.888 -15.229 -12.922 1.00 71.41 C ATOM 430 CD1 PHE A 30 19.042 -15.813 -11.675 1.00 14.21 C ATOM 431 CD2 PHE A 30 19.591 -15.754 -13.994 1.00 64.23 C ATOM 432 CE1 PHE A 30 19.879 -16.898 -11.500 1.00 61.40 C ATOM 433 CE2 PHE A 30 20.430 -16.840 -13.826 1.00 10.33 C ATOM 434 CZ PHE A 30 20.575 -17.412 -12.577 1.00 0.22 C ATOM 0 H PHE A 30 16.130 -15.740 -13.223 1.00 55.04 H new ATOM 0 HA PHE A 30 17.132 -14.008 -11.132 1.00 71.42 H new ATOM 0 HB2 PHE A 30 17.618 -14.037 -14.137 1.00 75.24 H new ATOM 0 HB3 PHE A 30 18.547 -13.133 -12.958 1.00 75.24 H new ATOM 0 HD1 PHE A 30 18.501 -15.415 -10.829 1.00 14.21 H new ATOM 0 HD2 PHE A 30 19.482 -15.310 -14.972 1.00 64.23 H new ATOM 0 HE1 PHE A 30 19.989 -17.344 -10.522 1.00 61.40 H new ATOM 0 HE2 PHE A 30 20.971 -17.241 -14.670 1.00 10.33 H new ATOM 0 HZ PHE A 30 21.231 -18.259 -12.443 1.00 0.22 H new ATOM 444 N SER A 31 15.010 -12.940 -13.398 1.00 54.24 N ATOM 445 CA SER A 31 14.120 -11.840 -13.752 1.00 50.14 C ATOM 446 C SER A 31 12.850 -11.876 -12.908 1.00 54.51 C ATOM 447 O SER A 31 11.908 -11.119 -13.148 1.00 42.23 O ATOM 448 CB SER A 31 13.761 -11.905 -15.238 1.00 55.40 C ATOM 449 OG SER A 31 12.927 -10.820 -15.609 1.00 21.12 O ATOM 0 H SER A 31 14.881 -13.783 -13.957 1.00 54.24 H new ATOM 0 HA SER A 31 14.642 -10.904 -13.552 1.00 50.14 H new ATOM 0 HB2 SER A 31 14.672 -11.889 -15.836 1.00 55.40 H new ATOM 0 HB3 SER A 31 13.255 -12.846 -15.452 1.00 55.40 H new ATOM 0 HG SER A 31 12.272 -10.653 -14.899 1.00 21.12 H new ATOM 455 N THR A 32 12.830 -12.761 -11.917 1.00 20.13 N ATOM 456 CA THR A 32 11.676 -12.898 -11.037 1.00 4.23 C ATOM 457 C THR A 32 11.266 -11.550 -10.455 1.00 52.10 C ATOM 458 O THR A 32 12.069 -10.620 -10.390 1.00 44.44 O ATOM 459 CB THR A 32 11.963 -13.876 -9.882 1.00 62.53 C ATOM 460 OG1 THR A 32 12.523 -15.090 -10.396 1.00 44.25 O ATOM 461 CG2 THR A 32 10.691 -14.187 -9.108 1.00 23.41 C ATOM 0 H THR A 32 13.601 -13.394 -11.703 1.00 20.13 H new ATOM 0 HA THR A 32 10.861 -13.293 -11.644 1.00 4.23 H new ATOM 0 HB THR A 32 12.676 -13.405 -9.205 1.00 62.53 H new ATOM 0 HG1 THR A 32 13.399 -15.245 -9.986 1.00 44.25 H new ATOM 0 HG21 THR A 32 10.918 -14.879 -8.297 1.00 23.41 H new ATOM 0 HG22 THR A 32 10.283 -13.265 -8.694 1.00 23.41 H new ATOM 0 HG23 THR A 32 9.959 -14.640 -9.777 1.00 23.41 H new ATOM 469 N VAL A 33 10.010 -11.451 -10.032 1.00 34.24 N ATOM 470 CA VAL A 33 9.493 -10.217 -9.453 1.00 53.30 C ATOM 471 C VAL A 33 10.445 -9.662 -8.400 1.00 25.31 C ATOM 472 O VAL A 33 10.551 -8.450 -8.220 1.00 13.14 O ATOM 473 CB VAL A 33 8.108 -10.433 -8.814 1.00 22.22 C ATOM 474 CG1 VAL A 33 8.117 -11.669 -7.927 1.00 13.23 C ATOM 475 CG2 VAL A 33 7.688 -9.203 -8.024 1.00 42.20 C ATOM 0 H VAL A 33 9.331 -12.211 -10.079 1.00 34.24 H new ATOM 0 HA VAL A 33 9.401 -9.500 -10.269 1.00 53.30 H new ATOM 0 HB VAL A 33 7.380 -10.591 -9.610 1.00 22.22 H new ATOM 0 HG11 VAL A 33 7.131 -11.806 -7.484 1.00 13.23 H new ATOM 0 HG12 VAL A 33 8.371 -12.544 -8.525 1.00 13.23 H new ATOM 0 HG13 VAL A 33 8.856 -11.544 -7.136 1.00 13.23 H new ATOM 0 HG21 VAL A 33 6.707 -9.373 -7.580 1.00 42.20 H new ATOM 0 HG22 VAL A 33 8.415 -9.011 -7.235 1.00 42.20 H new ATOM 0 HG23 VAL A 33 7.640 -8.342 -8.690 1.00 42.20 H new ATOM 485 N GLY A 34 11.139 -10.560 -7.706 1.00 43.31 N ATOM 486 CA GLY A 34 12.075 -10.141 -6.679 1.00 64.11 C ATOM 487 C GLY A 34 11.634 -10.554 -5.289 1.00 53.31 C ATOM 488 O GLY A 34 12.282 -10.215 -4.298 1.00 34.45 O ATOM 0 H GLY A 34 11.070 -11.569 -7.837 1.00 43.31 H new ATOM 0 HA2 GLY A 34 13.055 -10.570 -6.888 1.00 64.11 H new ATOM 0 HA3 GLY A 34 12.187 -9.057 -6.714 1.00 64.11 H new ATOM 492 N LEU A 35 10.527 -11.285 -5.214 1.00 63.25 N ATOM 493 CA LEU A 35 9.998 -11.744 -3.935 1.00 10.54 C ATOM 494 C LEU A 35 10.729 -12.996 -3.460 1.00 54.41 C ATOM 495 O LEU A 35 11.070 -13.119 -2.284 1.00 3.20 O ATOM 496 CB LEU A 35 8.499 -12.027 -4.052 1.00 65.54 C ATOM 497 CG LEU A 35 7.585 -11.190 -3.157 1.00 23.40 C ATOM 498 CD1 LEU A 35 6.146 -11.668 -3.269 1.00 53.52 C ATOM 499 CD2 LEU A 35 8.057 -11.248 -1.711 1.00 50.43 C ATOM 0 H LEU A 35 9.978 -11.572 -6.024 1.00 63.25 H new ATOM 0 HA LEU A 35 10.156 -10.954 -3.201 1.00 10.54 H new ATOM 0 HB2 LEU A 35 8.200 -11.871 -5.089 1.00 65.54 H new ATOM 0 HB3 LEU A 35 8.330 -13.080 -3.826 1.00 65.54 H new ATOM 0 HG LEU A 35 7.629 -10.154 -3.492 1.00 23.40 H new ATOM 0 HD11 LEU A 35 5.510 -11.061 -2.625 1.00 53.52 H new ATOM 0 HD12 LEU A 35 5.811 -11.575 -4.302 1.00 53.52 H new ATOM 0 HD13 LEU A 35 6.084 -12.712 -2.960 1.00 53.52 H new ATOM 0 HD21 LEU A 35 7.395 -10.647 -1.088 1.00 50.43 H new ATOM 0 HD22 LEU A 35 8.042 -12.281 -1.365 1.00 50.43 H new ATOM 0 HD23 LEU A 35 9.072 -10.858 -1.644 1.00 50.43 H new ATOM 511 N SER A 36 10.967 -13.921 -4.384 1.00 32.33 N ATOM 512 CA SER A 36 11.656 -15.165 -4.060 1.00 12.14 C ATOM 513 C SER A 36 13.116 -14.900 -3.704 1.00 72.42 C ATOM 514 O SER A 36 13.797 -15.762 -3.149 1.00 31.32 O ATOM 515 CB SER A 36 11.574 -16.140 -5.236 1.00 40.40 C ATOM 516 OG SER A 36 10.227 -16.410 -5.582 1.00 14.14 O ATOM 0 H SER A 36 10.693 -13.833 -5.363 1.00 32.33 H new ATOM 0 HA SER A 36 11.164 -15.610 -3.195 1.00 12.14 H new ATOM 0 HB2 SER A 36 12.097 -15.722 -6.096 1.00 40.40 H new ATOM 0 HB3 SER A 36 12.080 -17.070 -4.977 1.00 40.40 H new ATOM 0 HG SER A 36 10.202 -17.034 -6.337 1.00 14.14 H new ATOM 522 N SER A 37 13.589 -13.702 -4.029 1.00 45.30 N ATOM 523 CA SER A 37 14.969 -13.323 -3.748 1.00 65.43 C ATOM 524 C SER A 37 15.029 -12.257 -2.659 1.00 45.53 C ATOM 525 O SER A 37 16.058 -11.609 -2.464 1.00 1.32 O ATOM 526 CB SER A 37 15.648 -12.810 -5.019 1.00 44.53 C ATOM 527 OG SER A 37 15.266 -11.474 -5.298 1.00 13.24 O ATOM 0 H SER A 37 13.037 -12.977 -4.487 1.00 45.30 H new ATOM 0 HA SER A 37 15.498 -14.208 -3.394 1.00 65.43 H new ATOM 0 HB2 SER A 37 16.731 -12.866 -4.904 1.00 44.53 H new ATOM 0 HB3 SER A 37 15.383 -13.450 -5.860 1.00 44.53 H new ATOM 0 HG SER A 37 15.715 -11.169 -6.114 1.00 13.24 H new ATOM 533 N LYS A 38 13.919 -12.079 -1.952 1.00 73.10 N ATOM 534 CA LYS A 38 13.842 -11.092 -0.881 1.00 64.51 C ATOM 535 C LYS A 38 14.212 -11.716 0.461 1.00 62.32 C ATOM 536 O LYS A 38 14.344 -12.935 0.576 1.00 62.43 O ATOM 537 CB LYS A 38 12.435 -10.497 -0.808 1.00 14.20 C ATOM 538 CG LYS A 38 12.267 -9.230 -1.629 1.00 11.23 C ATOM 539 CD LYS A 38 12.371 -7.986 -0.762 1.00 65.10 C ATOM 540 CE LYS A 38 12.232 -6.717 -1.589 1.00 63.10 C ATOM 541 NZ LYS A 38 12.560 -5.500 -0.796 1.00 51.24 N ATOM 0 H LYS A 38 13.059 -12.606 -2.101 1.00 73.10 H new ATOM 0 HA LYS A 38 14.555 -10.297 -1.101 1.00 64.51 H new ATOM 0 HB2 LYS A 38 11.717 -11.241 -1.152 1.00 14.20 H new ATOM 0 HB3 LYS A 38 12.195 -10.280 0.233 1.00 14.20 H new ATOM 0 HG2 LYS A 38 13.029 -9.196 -2.408 1.00 11.23 H new ATOM 0 HG3 LYS A 38 11.299 -9.246 -2.130 1.00 11.23 H new ATOM 0 HD2 LYS A 38 11.596 -8.009 0.004 1.00 65.10 H new ATOM 0 HD3 LYS A 38 13.330 -7.981 -0.244 1.00 65.10 H new ATOM 0 HE2 LYS A 38 12.891 -6.774 -2.456 1.00 63.10 H new ATOM 0 HE3 LYS A 38 11.213 -6.640 -1.968 1.00 63.10 H new ATOM 0 HZ1 LYS A 38 12.202 -4.657 -1.289 1.00 51.24 H new ATOM 0 HZ2 LYS A 38 12.116 -5.567 0.142 1.00 51.24 H new ATOM 0 HZ3 LYS A 38 13.591 -5.425 -0.687 1.00 51.24 H new ATOM 555 N THR A 39 14.377 -10.873 1.475 1.00 1.12 N ATOM 556 CA THR A 39 14.731 -11.342 2.809 1.00 41.50 C ATOM 557 C THR A 39 13.495 -11.790 3.580 1.00 1.02 C ATOM 558 O THR A 39 12.375 -11.355 3.312 1.00 32.40 O ATOM 559 CB THR A 39 15.456 -10.247 3.615 1.00 61.11 C ATOM 560 OG1 THR A 39 16.711 -10.742 4.094 1.00 22.24 O ATOM 561 CG2 THR A 39 14.605 -9.786 4.789 1.00 62.14 C ATOM 0 H THR A 39 14.271 -9.861 1.398 1.00 1.12 H new ATOM 0 HA THR A 39 15.402 -12.191 2.678 1.00 41.50 H new ATOM 0 HB THR A 39 15.629 -9.396 2.956 1.00 61.11 H new ATOM 0 HG1 THR A 39 17.167 -10.040 4.604 1.00 22.24 H new ATOM 0 HG21 THR A 39 15.138 -9.013 5.343 1.00 62.14 H new ATOM 0 HG22 THR A 39 13.662 -9.383 4.419 1.00 62.14 H new ATOM 0 HG23 THR A 39 14.405 -10.631 5.447 1.00 62.14 H new ATOM 569 N PRO A 40 13.700 -12.680 4.562 1.00 22.15 N ATOM 570 CA PRO A 40 12.613 -13.206 5.394 1.00 44.11 C ATOM 571 C PRO A 40 12.042 -12.151 6.336 1.00 73.45 C ATOM 572 O PRO A 40 12.273 -12.194 7.544 1.00 42.31 O ATOM 573 CB PRO A 40 13.287 -14.326 6.191 1.00 13.10 C ATOM 574 CG PRO A 40 14.727 -13.947 6.235 1.00 13.30 C ATOM 575 CD PRO A 40 15.009 -13.241 4.937 1.00 30.34 C ATOM 0 HA PRO A 40 11.766 -13.541 4.795 1.00 44.11 H new ATOM 0 HB2 PRO A 40 12.868 -14.405 7.194 1.00 13.10 H new ATOM 0 HB3 PRO A 40 13.147 -15.294 5.710 1.00 13.10 H new ATOM 0 HG2 PRO A 40 14.934 -13.297 7.086 1.00 13.30 H new ATOM 0 HG3 PRO A 40 15.359 -14.828 6.346 1.00 13.30 H new ATOM 0 HD2 PRO A 40 15.760 -12.461 5.059 1.00 30.34 H new ATOM 0 HD3 PRO A 40 15.384 -13.929 4.179 1.00 30.34 H new ATOM 583 N ASP A 41 11.294 -11.207 5.775 1.00 63.23 N ATOM 584 CA ASP A 41 10.688 -10.142 6.565 1.00 31.21 C ATOM 585 C ASP A 41 9.838 -9.230 5.686 1.00 4.41 C ATOM 586 O ASP A 41 8.831 -8.684 6.134 1.00 15.13 O ATOM 587 CB ASP A 41 11.769 -9.326 7.275 1.00 42.45 C ATOM 588 CG ASP A 41 11.348 -8.891 8.664 1.00 13.34 C ATOM 589 OD1 ASP A 41 10.526 -9.598 9.284 1.00 31.22 O ATOM 590 OD2 ASP A 41 11.840 -7.843 9.133 1.00 64.33 O ATOM 0 H ASP A 41 11.093 -11.158 4.776 1.00 63.23 H new ATOM 0 HA ASP A 41 10.041 -10.601 7.313 1.00 31.21 H new ATOM 0 HB2 ASP A 41 12.681 -9.919 7.344 1.00 42.45 H new ATOM 0 HB3 ASP A 41 12.006 -8.445 6.678 1.00 42.45 H new ATOM 595 N GLN A 42 10.254 -9.068 4.434 1.00 74.42 N ATOM 596 CA GLN A 42 9.531 -8.220 3.493 1.00 22.32 C ATOM 597 C GLN A 42 8.423 -9.002 2.796 1.00 15.21 C ATOM 598 O GLN A 42 7.385 -8.442 2.439 1.00 5.01 O ATOM 599 CB GLN A 42 10.493 -7.640 2.455 1.00 51.02 C ATOM 600 CG GLN A 42 11.780 -7.098 3.054 1.00 45.20 C ATOM 601 CD GLN A 42 11.548 -6.333 4.342 1.00 20.01 C ATOM 602 OE1 GLN A 42 12.229 -6.559 5.343 1.00 12.30 O ATOM 603 NE2 GLN A 42 10.583 -5.422 4.324 1.00 55.43 N ATOM 0 H GLN A 42 11.087 -9.512 4.048 1.00 74.42 H new ATOM 0 HA GLN A 42 9.076 -7.403 4.053 1.00 22.32 H new ATOM 0 HB2 GLN A 42 10.738 -8.413 1.727 1.00 51.02 H new ATOM 0 HB3 GLN A 42 9.989 -6.840 1.912 1.00 51.02 H new ATOM 0 HG2 GLN A 42 12.464 -7.925 3.245 1.00 45.20 H new ATOM 0 HG3 GLN A 42 12.266 -6.444 2.330 1.00 45.20 H new ATOM 0 HE21 GLN A 42 10.043 -5.267 3.472 1.00 55.43 H new ATOM 0 HE22 GLN A 42 10.381 -4.876 5.162 1.00 55.43 H new ATOM 612 N ILE A 43 8.649 -10.297 2.605 1.00 34.22 N ATOM 613 CA ILE A 43 7.668 -11.155 1.951 1.00 22.04 C ATOM 614 C ILE A 43 6.330 -11.117 2.682 1.00 25.34 C ATOM 615 O ILE A 43 5.281 -10.916 2.071 1.00 42.34 O ATOM 616 CB ILE A 43 8.158 -12.613 1.875 1.00 31.23 C ATOM 617 CG1 ILE A 43 9.530 -12.679 1.201 1.00 53.13 C ATOM 618 CG2 ILE A 43 7.151 -13.472 1.125 1.00 52.33 C ATOM 619 CD1 ILE A 43 10.209 -14.023 1.342 1.00 32.21 C ATOM 0 H ILE A 43 9.502 -10.775 2.894 1.00 34.22 H new ATOM 0 HA ILE A 43 7.537 -10.771 0.939 1.00 22.04 H new ATOM 0 HB ILE A 43 8.254 -13.002 2.889 1.00 31.23 H new ATOM 0 HG12 ILE A 43 9.417 -12.448 0.142 1.00 53.13 H new ATOM 0 HG13 ILE A 43 10.173 -11.910 1.628 1.00 53.13 H new ATOM 0 HG21 ILE A 43 7.512 -14.500 1.080 1.00 52.33 H new ATOM 0 HG22 ILE A 43 6.193 -13.446 1.644 1.00 52.33 H new ATOM 0 HG23 ILE A 43 7.026 -13.086 0.113 1.00 52.33 H new ATOM 0 HD11 ILE A 43 11.176 -13.996 0.840 1.00 32.21 H new ATOM 0 HD12 ILE A 43 10.354 -14.248 2.399 1.00 32.21 H new ATOM 0 HD13 ILE A 43 9.586 -14.794 0.889 1.00 32.21 H new ATOM 631 N LYS A 44 6.375 -11.311 3.996 1.00 32.02 N ATOM 632 CA LYS A 44 5.167 -11.296 4.813 1.00 23.44 C ATOM 633 C LYS A 44 4.386 -10.002 4.607 1.00 24.41 C ATOM 634 O LYS A 44 3.155 -9.997 4.630 1.00 64.52 O ATOM 635 CB LYS A 44 5.526 -11.458 6.292 1.00 13.14 C ATOM 636 CG LYS A 44 6.700 -10.600 6.731 1.00 70.21 C ATOM 637 CD LYS A 44 6.835 -10.571 8.244 1.00 13.31 C ATOM 638 CE LYS A 44 7.275 -11.920 8.791 1.00 43.11 C ATOM 639 NZ LYS A 44 7.180 -11.974 10.276 1.00 63.40 N ATOM 0 H LYS A 44 7.235 -11.480 4.518 1.00 32.02 H new ATOM 0 HA LYS A 44 4.539 -12.131 4.504 1.00 23.44 H new ATOM 0 HB2 LYS A 44 4.656 -11.206 6.898 1.00 13.14 H new ATOM 0 HB3 LYS A 44 5.758 -12.505 6.488 1.00 13.14 H new ATOM 0 HG2 LYS A 44 7.619 -10.986 6.290 1.00 70.21 H new ATOM 0 HG3 LYS A 44 6.570 -9.585 6.357 1.00 70.21 H new ATOM 0 HD2 LYS A 44 7.558 -9.808 8.531 1.00 13.31 H new ATOM 0 HD3 LYS A 44 5.881 -10.290 8.690 1.00 13.31 H new ATOM 0 HE2 LYS A 44 6.656 -12.706 8.359 1.00 43.11 H new ATOM 0 HE3 LYS A 44 8.302 -12.118 8.485 1.00 43.11 H new ATOM 0 HZ1 LYS A 44 7.489 -12.909 10.610 1.00 63.40 H new ATOM 0 HZ2 LYS A 44 7.790 -11.240 10.690 1.00 63.40 H new ATOM 0 HZ3 LYS A 44 6.195 -11.810 10.567 1.00 63.40 H new ATOM 653 N LYS A 45 5.109 -8.906 4.404 1.00 25.34 N ATOM 654 CA LYS A 45 4.485 -7.606 4.191 1.00 43.01 C ATOM 655 C LYS A 45 3.767 -7.561 2.846 1.00 63.31 C ATOM 656 O LYS A 45 2.851 -6.764 2.646 1.00 35.24 O ATOM 657 CB LYS A 45 5.536 -6.496 4.257 1.00 44.30 C ATOM 658 CG LYS A 45 6.118 -6.290 5.645 1.00 34.12 C ATOM 659 CD LYS A 45 5.326 -5.260 6.434 1.00 23.30 C ATOM 660 CE LYS A 45 5.591 -3.849 5.931 1.00 32.42 C ATOM 661 NZ LYS A 45 5.324 -2.827 6.981 1.00 64.40 N ATOM 0 H LYS A 45 6.129 -8.892 4.383 1.00 25.34 H new ATOM 0 HA LYS A 45 3.750 -7.450 4.981 1.00 43.01 H new ATOM 0 HB2 LYS A 45 6.344 -6.731 3.565 1.00 44.30 H new ATOM 0 HB3 LYS A 45 5.088 -5.562 3.918 1.00 44.30 H new ATOM 0 HG2 LYS A 45 6.122 -7.238 6.183 1.00 34.12 H new ATOM 0 HG3 LYS A 45 7.156 -5.967 5.561 1.00 34.12 H new ATOM 0 HD2 LYS A 45 4.261 -5.481 6.357 1.00 23.30 H new ATOM 0 HD3 LYS A 45 5.590 -5.327 7.489 1.00 23.30 H new ATOM 0 HE2 LYS A 45 6.627 -3.769 5.602 1.00 32.42 H new ATOM 0 HE3 LYS A 45 4.964 -3.649 5.062 1.00 32.42 H new ATOM 0 HZ1 LYS A 45 5.516 -1.879 6.599 1.00 64.40 H new ATOM 0 HZ2 LYS A 45 4.329 -2.886 7.278 1.00 64.40 H new ATOM 0 HZ3 LYS A 45 5.940 -3.002 7.800 1.00 64.40 H new ATOM 675 N VAL A 46 4.189 -8.423 1.926 1.00 30.41 N ATOM 676 CA VAL A 46 3.584 -8.484 0.601 1.00 43.12 C ATOM 677 C VAL A 46 2.336 -9.359 0.606 1.00 53.42 C ATOM 678 O VAL A 46 1.477 -9.239 -0.269 1.00 23.23 O ATOM 679 CB VAL A 46 4.576 -9.029 -0.444 1.00 73.51 C ATOM 680 CG1 VAL A 46 3.913 -9.128 -1.810 1.00 14.45 C ATOM 681 CG2 VAL A 46 5.818 -8.154 -0.507 1.00 40.23 C ATOM 0 H VAL A 46 4.948 -9.089 2.074 1.00 30.41 H new ATOM 0 HA VAL A 46 3.308 -7.465 0.332 1.00 43.12 H new ATOM 0 HB VAL A 46 4.881 -10.031 -0.142 1.00 73.51 H new ATOM 0 HG11 VAL A 46 4.629 -9.515 -2.535 1.00 14.45 H new ATOM 0 HG12 VAL A 46 3.057 -9.800 -1.751 1.00 14.45 H new ATOM 0 HG13 VAL A 46 3.577 -8.140 -2.124 1.00 14.45 H new ATOM 0 HG21 VAL A 46 6.508 -8.554 -1.250 1.00 40.23 H new ATOM 0 HG22 VAL A 46 5.534 -7.139 -0.785 1.00 40.23 H new ATOM 0 HG23 VAL A 46 6.304 -8.141 0.469 1.00 40.23 H new ATOM 691 N PHE A 47 2.240 -10.238 1.597 1.00 23.43 N ATOM 692 CA PHE A 47 1.096 -11.135 1.717 1.00 42.34 C ATOM 693 C PHE A 47 -0.097 -10.414 2.338 1.00 42.04 C ATOM 694 O PHE A 47 -1.248 -10.783 2.108 1.00 65.42 O ATOM 695 CB PHE A 47 1.464 -12.356 2.561 1.00 24.40 C ATOM 696 CG PHE A 47 0.343 -12.842 3.434 1.00 53.11 C ATOM 697 CD1 PHE A 47 -0.688 -13.600 2.902 1.00 20.22 C ATOM 698 CD2 PHE A 47 0.319 -12.541 4.786 1.00 1.41 C ATOM 699 CE1 PHE A 47 -1.722 -14.047 3.703 1.00 23.41 C ATOM 700 CE2 PHE A 47 -0.712 -12.986 5.592 1.00 1.41 C ATOM 701 CZ PHE A 47 -1.733 -13.741 5.050 1.00 51.11 C ATOM 0 H PHE A 47 2.941 -10.349 2.330 1.00 23.43 H new ATOM 0 HA PHE A 47 0.818 -11.465 0.716 1.00 42.34 H new ATOM 0 HB2 PHE A 47 1.775 -13.164 1.899 1.00 24.40 H new ATOM 0 HB3 PHE A 47 2.321 -12.109 3.188 1.00 24.40 H new ATOM 0 HD1 PHE A 47 -0.684 -13.844 1.850 1.00 20.22 H new ATOM 0 HD2 PHE A 47 1.116 -11.951 5.215 1.00 1.41 H new ATOM 0 HE1 PHE A 47 -2.521 -14.635 3.276 1.00 23.41 H new ATOM 0 HE2 PHE A 47 -0.719 -12.743 6.644 1.00 1.41 H new ATOM 0 HZ PHE A 47 -2.539 -14.092 5.678 1.00 51.11 H new ATOM 711 N GLY A 48 0.188 -9.383 3.127 1.00 13.42 N ATOM 712 CA GLY A 48 -0.871 -8.626 3.770 1.00 21.42 C ATOM 713 C GLY A 48 -1.675 -7.801 2.785 1.00 62.41 C ATOM 714 O GLY A 48 -2.712 -7.239 3.137 1.00 32.32 O ATOM 0 H GLY A 48 1.133 -9.058 3.333 1.00 13.42 H new ATOM 0 HA2 GLY A 48 -1.537 -9.312 4.293 1.00 21.42 H new ATOM 0 HA3 GLY A 48 -0.437 -7.967 4.522 1.00 21.42 H new ATOM 718 N ILE A 49 -1.195 -7.727 1.548 1.00 0.11 N ATOM 719 CA ILE A 49 -1.876 -6.964 0.510 1.00 51.23 C ATOM 720 C ILE A 49 -2.836 -7.846 -0.281 1.00 34.24 C ATOM 721 O ILE A 49 -3.698 -7.350 -1.007 1.00 50.34 O ATOM 722 CB ILE A 49 -0.873 -6.317 -0.463 1.00 42.41 C ATOM 723 CG1 ILE A 49 0.251 -5.627 0.313 1.00 51.30 C ATOM 724 CG2 ILE A 49 -1.582 -5.325 -1.373 1.00 42.22 C ATOM 725 CD1 ILE A 49 1.323 -5.035 -0.575 1.00 25.14 C ATOM 0 H ILE A 49 -0.338 -8.186 1.241 1.00 0.11 H new ATOM 0 HA ILE A 49 -2.439 -6.179 1.015 1.00 51.23 H new ATOM 0 HB ILE A 49 -0.434 -7.099 -1.083 1.00 42.41 H new ATOM 0 HG12 ILE A 49 -0.176 -4.836 0.929 1.00 51.30 H new ATOM 0 HG13 ILE A 49 0.709 -6.347 0.991 1.00 51.30 H new ATOM 0 HG21 ILE A 49 -0.860 -4.876 -2.055 1.00 42.22 H new ATOM 0 HG22 ILE A 49 -2.350 -5.843 -1.947 1.00 42.22 H new ATOM 0 HG23 ILE A 49 -2.045 -4.544 -0.770 1.00 42.22 H new ATOM 0 HD11 ILE A 49 2.087 -4.562 0.042 1.00 25.14 H new ATOM 0 HD12 ILE A 49 1.777 -5.825 -1.173 1.00 25.14 H new ATOM 0 HD13 ILE A 49 0.878 -4.290 -1.235 1.00 25.14 H new ATOM 737 N LEU A 50 -2.684 -9.158 -0.133 1.00 4.54 N ATOM 738 CA LEU A 50 -3.539 -10.111 -0.831 1.00 63.01 C ATOM 739 C LEU A 50 -4.852 -10.314 -0.083 1.00 32.42 C ATOM 740 O LEU A 50 -5.933 -10.152 -0.650 1.00 2.31 O ATOM 741 CB LEU A 50 -2.817 -11.450 -0.992 1.00 34.42 C ATOM 742 CG LEU A 50 -1.291 -11.387 -1.059 1.00 51.13 C ATOM 743 CD1 LEU A 50 -0.707 -12.778 -1.254 1.00 12.44 C ATOM 744 CD2 LEU A 50 -0.845 -10.458 -2.179 1.00 1.22 C ATOM 0 H LEU A 50 -1.976 -9.586 0.464 1.00 4.54 H new ATOM 0 HA LEU A 50 -3.764 -9.706 -1.818 1.00 63.01 H new ATOM 0 HB2 LEU A 50 -3.098 -12.094 -0.158 1.00 34.42 H new ATOM 0 HB3 LEU A 50 -3.181 -11.929 -1.901 1.00 34.42 H new ATOM 0 HG LEU A 50 -0.921 -10.989 -0.114 1.00 51.13 H new ATOM 0 HD11 LEU A 50 0.380 -12.713 -1.299 1.00 12.44 H new ATOM 0 HD12 LEU A 50 -0.998 -13.415 -0.419 1.00 12.44 H new ATOM 0 HD13 LEU A 50 -1.084 -13.204 -2.184 1.00 12.44 H new ATOM 0 HD21 LEU A 50 0.244 -10.425 -2.212 1.00 1.22 H new ATOM 0 HD22 LEU A 50 -1.226 -10.827 -3.131 1.00 1.22 H new ATOM 0 HD23 LEU A 50 -1.233 -9.456 -1.997 1.00 1.22 H new ATOM 756 N ASP A 51 -4.751 -10.669 1.193 1.00 11.24 N ATOM 757 CA ASP A 51 -5.931 -10.891 2.021 1.00 71.10 C ATOM 758 C ASP A 51 -6.828 -9.657 2.031 1.00 74.45 C ATOM 759 O ASP A 51 -6.525 -8.653 1.387 1.00 23.23 O ATOM 760 CB ASP A 51 -5.518 -11.248 3.450 1.00 54.12 C ATOM 761 CG ASP A 51 -5.301 -10.021 4.313 1.00 12.23 C ATOM 762 OD1 ASP A 51 -4.443 -9.187 3.955 1.00 21.21 O ATOM 763 OD2 ASP A 51 -5.990 -9.894 5.347 1.00 53.33 O ATOM 0 H ASP A 51 -3.864 -10.809 1.677 1.00 11.24 H new ATOM 0 HA ASP A 51 -6.492 -11.723 1.595 1.00 71.10 H new ATOM 0 HB2 ASP A 51 -6.287 -11.875 3.902 1.00 54.12 H new ATOM 0 HB3 ASP A 51 -4.601 -11.837 3.424 1.00 54.12 H new ATOM 768 N GLN A 52 -7.934 -9.742 2.763 1.00 11.22 N ATOM 769 CA GLN A 52 -8.876 -8.633 2.854 1.00 10.53 C ATOM 770 C GLN A 52 -9.702 -8.723 4.133 1.00 31.51 C ATOM 771 O GLN A 52 -9.810 -7.754 4.884 1.00 12.12 O ATOM 772 CB GLN A 52 -9.801 -8.619 1.636 1.00 64.43 C ATOM 773 CG GLN A 52 -10.059 -10.000 1.053 1.00 44.40 C ATOM 774 CD GLN A 52 -11.443 -10.129 0.450 1.00 54.20 C ATOM 775 OE1 GLN A 52 -11.633 -9.922 -0.749 1.00 62.21 O ATOM 776 NE2 GLN A 52 -12.421 -10.473 1.280 1.00 11.31 N ATOM 0 H GLN A 52 -8.200 -10.567 3.301 1.00 11.22 H new ATOM 0 HA GLN A 52 -8.304 -7.706 2.877 1.00 10.53 H new ATOM 0 HB2 GLN A 52 -10.753 -8.169 1.918 1.00 64.43 H new ATOM 0 HB3 GLN A 52 -9.364 -7.984 0.865 1.00 64.43 H new ATOM 0 HG2 GLN A 52 -9.312 -10.213 0.288 1.00 44.40 H new ATOM 0 HG3 GLN A 52 -9.936 -10.749 1.835 1.00 44.40 H new ATOM 0 HE21 GLN A 52 -12.219 -10.635 2.267 1.00 11.31 H new ATOM 0 HE22 GLN A 52 -13.374 -10.575 0.931 1.00 11.31 H new ATOM 785 N ASP A 53 -10.283 -9.893 4.374 1.00 31.51 N ATOM 786 CA ASP A 53 -11.099 -10.111 5.563 1.00 73.42 C ATOM 787 C ASP A 53 -11.241 -11.601 5.859 1.00 71.20 C ATOM 788 O ASP A 53 -12.318 -12.073 6.225 1.00 2.12 O ATOM 789 CB ASP A 53 -12.481 -9.481 5.381 1.00 30.14 C ATOM 790 CG ASP A 53 -12.485 -7.996 5.687 1.00 24.20 C ATOM 791 OD1 ASP A 53 -12.631 -7.635 6.873 1.00 32.43 O ATOM 792 OD2 ASP A 53 -12.342 -7.195 4.740 1.00 44.33 O ATOM 0 H ASP A 53 -10.204 -10.705 3.762 1.00 31.51 H new ATOM 0 HA ASP A 53 -10.600 -9.637 6.408 1.00 73.42 H new ATOM 0 HB2 ASP A 53 -12.817 -9.639 4.356 1.00 30.14 H new ATOM 0 HB3 ASP A 53 -13.195 -9.985 6.032 1.00 30.14 H new ATOM 797 N LYS A 54 -10.147 -12.338 5.697 1.00 74.11 N ATOM 798 CA LYS A 54 -10.148 -13.775 5.947 1.00 52.43 C ATOM 799 C LYS A 54 -9.654 -14.082 7.356 1.00 24.05 C ATOM 800 O LYS A 54 -9.054 -15.129 7.600 1.00 73.44 O ATOM 801 CB LYS A 54 -9.270 -14.492 4.919 1.00 72.21 C ATOM 802 CG LYS A 54 -9.487 -14.014 3.494 1.00 52.32 C ATOM 803 CD LYS A 54 -10.922 -14.233 3.044 1.00 21.12 C ATOM 804 CE LYS A 54 -11.209 -15.706 2.797 1.00 73.14 C ATOM 805 NZ LYS A 54 -12.670 -15.978 2.703 1.00 34.01 N ATOM 0 H LYS A 54 -9.248 -11.964 5.394 1.00 74.11 H new ATOM 0 HA LYS A 54 -11.173 -14.135 5.854 1.00 52.43 H new ATOM 0 HB2 LYS A 54 -8.223 -14.349 5.186 1.00 72.21 H new ATOM 0 HB3 LYS A 54 -9.468 -15.563 4.968 1.00 72.21 H new ATOM 0 HG2 LYS A 54 -9.240 -12.955 3.423 1.00 52.32 H new ATOM 0 HG3 LYS A 54 -8.810 -14.544 2.824 1.00 52.32 H new ATOM 0 HD2 LYS A 54 -11.605 -13.850 3.802 1.00 21.12 H new ATOM 0 HD3 LYS A 54 -11.109 -13.667 2.132 1.00 21.12 H new ATOM 0 HE2 LYS A 54 -10.721 -16.022 1.875 1.00 73.14 H new ATOM 0 HE3 LYS A 54 -10.780 -16.300 3.604 1.00 73.14 H new ATOM 0 HZ1 LYS A 54 -12.832 -17.005 2.688 1.00 34.01 H new ATOM 0 HZ2 LYS A 54 -13.154 -15.564 3.525 1.00 34.01 H new ATOM 0 HZ3 LYS A 54 -13.046 -15.555 1.831 1.00 34.01 H new ATOM 819 N SER A 55 -9.910 -13.163 8.282 1.00 22.22 N ATOM 820 CA SER A 55 -9.488 -13.336 9.667 1.00 14.55 C ATOM 821 C SER A 55 -7.973 -13.490 9.759 1.00 33.32 C ATOM 822 O SER A 55 -7.451 -14.035 10.731 1.00 53.01 O ATOM 823 CB SER A 55 -10.175 -14.556 10.284 1.00 53.23 C ATOM 824 OG SER A 55 -11.017 -14.178 11.359 1.00 30.23 O ATOM 0 H SER A 55 -10.407 -12.292 8.098 1.00 22.22 H new ATOM 0 HA SER A 55 -9.779 -12.445 10.223 1.00 14.55 H new ATOM 0 HB2 SER A 55 -10.761 -15.071 9.523 1.00 53.23 H new ATOM 0 HB3 SER A 55 -9.423 -15.261 10.638 1.00 53.23 H new ATOM 0 HG SER A 55 -11.445 -14.975 11.735 1.00 30.23 H new ATOM 830 N GLY A 56 -7.272 -13.006 8.738 1.00 33.32 N ATOM 831 CA GLY A 56 -5.824 -13.100 8.722 1.00 72.21 C ATOM 832 C GLY A 56 -5.325 -14.206 7.814 1.00 71.54 C ATOM 833 O GLY A 56 -4.343 -14.032 7.092 1.00 2.34 O ATOM 0 H GLY A 56 -7.681 -12.551 7.922 1.00 33.32 H new ATOM 0 HA2 GLY A 56 -5.405 -12.149 8.395 1.00 72.21 H new ATOM 0 HA3 GLY A 56 -5.463 -13.276 9.735 1.00 72.21 H new ATOM 837 N PHE A 57 -6.002 -15.350 7.849 1.00 1.41 N ATOM 838 CA PHE A 57 -5.620 -16.490 7.025 1.00 61.13 C ATOM 839 C PHE A 57 -6.428 -16.521 5.731 1.00 50.12 C ATOM 840 O PHE A 57 -7.642 -16.725 5.750 1.00 72.53 O ATOM 841 CB PHE A 57 -5.823 -17.795 7.797 1.00 24.30 C ATOM 842 CG PHE A 57 -4.948 -17.915 9.012 1.00 2.12 C ATOM 843 CD1 PHE A 57 -5.369 -17.421 10.236 1.00 3.53 C ATOM 844 CD2 PHE A 57 -3.705 -18.522 8.931 1.00 71.05 C ATOM 845 CE1 PHE A 57 -4.565 -17.529 11.356 1.00 53.43 C ATOM 846 CE2 PHE A 57 -2.897 -18.633 10.047 1.00 75.33 C ATOM 847 CZ PHE A 57 -3.329 -18.137 11.261 1.00 2.21 C ATOM 0 H PHE A 57 -6.818 -15.511 8.440 1.00 1.41 H new ATOM 0 HA PHE A 57 -4.565 -16.386 6.772 1.00 61.13 H new ATOM 0 HB2 PHE A 57 -6.867 -17.869 8.102 1.00 24.30 H new ATOM 0 HB3 PHE A 57 -5.625 -18.636 7.132 1.00 24.30 H new ATOM 0 HD1 PHE A 57 -6.336 -16.946 10.316 1.00 3.53 H new ATOM 0 HD2 PHE A 57 -3.363 -18.913 7.984 1.00 71.05 H new ATOM 0 HE1 PHE A 57 -4.904 -17.138 12.304 1.00 53.43 H new ATOM 0 HE2 PHE A 57 -1.930 -19.107 9.970 1.00 75.33 H new ATOM 0 HZ PHE A 57 -2.701 -18.225 12.135 1.00 2.21 H new ATOM 857 N ILE A 58 -5.746 -16.316 4.609 1.00 2.32 N ATOM 858 CA ILE A 58 -6.399 -16.320 3.306 1.00 34.44 C ATOM 859 C ILE A 58 -6.840 -17.727 2.918 1.00 72.45 C ATOM 860 O ILE A 58 -6.066 -18.679 3.013 1.00 32.14 O ATOM 861 CB ILE A 58 -5.473 -15.763 2.210 1.00 64.44 C ATOM 862 CG1 ILE A 58 -5.351 -14.244 2.338 1.00 45.40 C ATOM 863 CG2 ILE A 58 -5.994 -16.144 0.832 1.00 11.10 C ATOM 864 CD1 ILE A 58 -4.188 -13.663 1.564 1.00 61.35 C ATOM 0 H ILE A 58 -4.741 -16.145 4.576 1.00 2.32 H new ATOM 0 HA ILE A 58 -7.275 -15.677 3.390 1.00 34.44 H new ATOM 0 HB ILE A 58 -4.482 -16.200 2.336 1.00 64.44 H new ATOM 0 HG12 ILE A 58 -6.275 -13.783 1.990 1.00 45.40 H new ATOM 0 HG13 ILE A 58 -5.242 -13.984 3.391 1.00 45.40 H new ATOM 0 HG21 ILE A 58 -5.328 -15.743 0.068 1.00 11.10 H new ATOM 0 HG22 ILE A 58 -6.033 -17.230 0.745 1.00 11.10 H new ATOM 0 HG23 ILE A 58 -6.994 -15.733 0.695 1.00 11.10 H new ATOM 0 HD11 ILE A 58 -4.164 -12.582 1.701 1.00 61.35 H new ATOM 0 HD12 ILE A 58 -3.256 -14.096 1.928 1.00 61.35 H new ATOM 0 HD13 ILE A 58 -4.305 -13.892 0.505 1.00 61.35 H new ATOM 876 N GLU A 59 -8.088 -17.850 2.477 1.00 74.12 N ATOM 877 CA GLU A 59 -8.631 -19.142 2.072 1.00 15.53 C ATOM 878 C GLU A 59 -8.620 -19.285 0.553 1.00 14.40 C ATOM 879 O GLU A 59 -8.372 -18.320 -0.169 1.00 42.21 O ATOM 880 CB GLU A 59 -10.058 -19.308 2.601 1.00 63.22 C ATOM 881 CG GLU A 59 -10.162 -19.210 4.113 1.00 3.45 C ATOM 882 CD GLU A 59 -11.598 -19.145 4.597 1.00 64.54 C ATOM 883 OE1 GLU A 59 -12.320 -20.152 4.446 1.00 33.52 O ATOM 884 OE2 GLU A 59 -11.998 -18.087 5.126 1.00 71.34 O ATOM 0 H GLU A 59 -8.742 -17.072 2.391 1.00 74.12 H new ATOM 0 HA GLU A 59 -8.000 -19.922 2.497 1.00 15.53 H new ATOM 0 HB2 GLU A 59 -10.694 -18.545 2.151 1.00 63.22 H new ATOM 0 HB3 GLU A 59 -10.445 -20.275 2.281 1.00 63.22 H new ATOM 0 HG2 GLU A 59 -9.669 -20.072 4.564 1.00 3.45 H new ATOM 0 HG3 GLU A 59 -9.627 -18.323 4.453 1.00 3.45 H new ATOM 891 N GLU A 60 -8.891 -20.496 0.077 1.00 50.25 N ATOM 892 CA GLU A 60 -8.911 -20.765 -1.356 1.00 64.34 C ATOM 893 C GLU A 60 -9.786 -19.752 -2.089 1.00 5.13 C ATOM 894 O GLU A 60 -9.578 -19.477 -3.270 1.00 21.10 O ATOM 895 CB GLU A 60 -9.420 -22.183 -1.624 1.00 71.12 C ATOM 896 CG GLU A 60 -9.227 -22.638 -3.061 1.00 53.22 C ATOM 897 CD GLU A 60 -10.468 -22.433 -3.909 1.00 64.32 C ATOM 898 OE1 GLU A 60 -11.533 -22.972 -3.541 1.00 3.42 O ATOM 899 OE2 GLU A 60 -10.374 -21.736 -4.941 1.00 5.24 O ATOM 0 H GLU A 60 -9.099 -21.305 0.662 1.00 50.25 H new ATOM 0 HA GLU A 60 -7.891 -20.675 -1.730 1.00 64.34 H new ATOM 0 HB2 GLU A 60 -8.904 -22.877 -0.960 1.00 71.12 H new ATOM 0 HB3 GLU A 60 -10.480 -22.232 -1.375 1.00 71.12 H new ATOM 0 HG2 GLU A 60 -8.395 -22.090 -3.503 1.00 53.22 H new ATOM 0 HG3 GLU A 60 -8.955 -23.693 -3.071 1.00 53.22 H new ATOM 906 N GLU A 61 -10.764 -19.201 -1.378 1.00 14.12 N ATOM 907 CA GLU A 61 -11.672 -18.219 -1.961 1.00 24.24 C ATOM 908 C GLU A 61 -10.929 -16.933 -2.310 1.00 53.43 C ATOM 909 O GLU A 61 -11.077 -16.399 -3.409 1.00 2.51 O ATOM 910 CB GLU A 61 -12.817 -17.913 -0.994 1.00 32.35 C ATOM 911 CG GLU A 61 -13.603 -19.144 -0.572 1.00 50.41 C ATOM 912 CD GLU A 61 -14.805 -18.802 0.287 1.00 24.25 C ATOM 913 OE1 GLU A 61 -14.636 -18.051 1.271 1.00 44.45 O ATOM 914 OE2 GLU A 61 -15.913 -19.286 -0.022 1.00 71.41 O ATOM 0 H GLU A 61 -10.948 -19.417 -0.398 1.00 14.12 H new ATOM 0 HA GLU A 61 -12.084 -18.641 -2.878 1.00 24.24 H new ATOM 0 HB2 GLU A 61 -12.411 -17.429 -0.106 1.00 32.35 H new ATOM 0 HB3 GLU A 61 -13.497 -17.201 -1.463 1.00 32.35 H new ATOM 0 HG2 GLU A 61 -13.937 -19.680 -1.461 1.00 50.41 H new ATOM 0 HG3 GLU A 61 -12.947 -19.818 -0.021 1.00 50.41 H new ATOM 921 N GLU A 62 -10.132 -16.441 -1.367 1.00 21.21 N ATOM 922 CA GLU A 62 -9.368 -15.217 -1.575 1.00 1.21 C ATOM 923 C GLU A 62 -8.011 -15.522 -2.203 1.00 21.24 C ATOM 924 O GLU A 62 -7.254 -14.613 -2.545 1.00 62.02 O ATOM 925 CB GLU A 62 -9.174 -14.479 -0.249 1.00 12.43 C ATOM 926 CG GLU A 62 -9.950 -13.175 -0.159 1.00 22.13 C ATOM 927 CD GLU A 62 -11.445 -13.374 -0.318 1.00 43.52 C ATOM 928 OE1 GLU A 62 -11.956 -14.419 0.133 1.00 74.31 O ATOM 929 OE2 GLU A 62 -12.103 -12.482 -0.894 1.00 44.14 O ATOM 0 H GLU A 62 -9.999 -16.871 -0.452 1.00 21.21 H new ATOM 0 HA GLU A 62 -9.930 -14.580 -2.258 1.00 1.21 H new ATOM 0 HB2 GLU A 62 -9.480 -15.132 0.569 1.00 12.43 H new ATOM 0 HB3 GLU A 62 -8.113 -14.271 -0.110 1.00 12.43 H new ATOM 0 HG2 GLU A 62 -9.750 -12.703 0.803 1.00 22.13 H new ATOM 0 HG3 GLU A 62 -9.594 -12.491 -0.929 1.00 22.13 H new ATOM 936 N LEU A 63 -7.710 -16.808 -2.350 1.00 2.44 N ATOM 937 CA LEU A 63 -6.444 -17.235 -2.935 1.00 41.35 C ATOM 938 C LEU A 63 -6.481 -17.120 -4.456 1.00 13.00 C ATOM 939 O LEU A 63 -5.447 -16.944 -5.100 1.00 33.23 O ATOM 940 CB LEU A 63 -6.132 -18.676 -2.529 1.00 4.01 C ATOM 941 CG LEU A 63 -4.650 -19.046 -2.454 1.00 60.32 C ATOM 942 CD1 LEU A 63 -3.967 -18.290 -1.325 1.00 71.40 C ATOM 943 CD2 LEU A 63 -4.484 -20.548 -2.270 1.00 51.31 C ATOM 0 H LEU A 63 -8.325 -17.573 -2.072 1.00 2.44 H new ATOM 0 HA LEU A 63 -5.659 -16.580 -2.558 1.00 41.35 H new ATOM 0 HB2 LEU A 63 -6.583 -18.863 -1.554 1.00 4.01 H new ATOM 0 HB3 LEU A 63 -6.618 -19.346 -3.239 1.00 4.01 H new ATOM 0 HG LEU A 63 -4.176 -18.760 -3.393 1.00 60.32 H new ATOM 0 HD11 LEU A 63 -2.913 -18.566 -1.287 1.00 71.40 H new ATOM 0 HD12 LEU A 63 -4.055 -17.218 -1.500 1.00 71.40 H new ATOM 0 HD13 LEU A 63 -4.443 -18.543 -0.378 1.00 71.40 H new ATOM 0 HD21 LEU A 63 -3.423 -20.793 -2.219 1.00 51.31 H new ATOM 0 HD22 LEU A 63 -4.973 -20.858 -1.346 1.00 51.31 H new ATOM 0 HD23 LEU A 63 -4.937 -21.070 -3.113 1.00 51.31 H new ATOM 955 N GLN A 64 -7.680 -17.219 -5.022 1.00 44.34 N ATOM 956 CA GLN A 64 -7.851 -17.124 -6.467 1.00 72.33 C ATOM 957 C GLN A 64 -7.576 -15.706 -6.957 1.00 22.43 C ATOM 958 O GLN A 64 -7.598 -15.438 -8.159 1.00 1.13 O ATOM 959 CB GLN A 64 -9.267 -17.547 -6.863 1.00 31.03 C ATOM 960 CG GLN A 64 -10.318 -16.482 -6.592 1.00 21.54 C ATOM 961 CD GLN A 64 -11.712 -16.923 -6.993 1.00 42.33 C ATOM 962 OE1 GLN A 64 -12.105 -16.795 -8.153 1.00 74.41 O ATOM 963 NE2 GLN A 64 -12.467 -17.445 -6.034 1.00 55.42 N ATOM 0 H GLN A 64 -8.546 -17.365 -4.503 1.00 44.34 H new ATOM 0 HA GLN A 64 -7.133 -17.796 -6.937 1.00 72.33 H new ATOM 0 HB2 GLN A 64 -9.279 -17.796 -7.924 1.00 31.03 H new ATOM 0 HB3 GLN A 64 -9.532 -18.454 -6.319 1.00 31.03 H new ATOM 0 HG2 GLN A 64 -10.311 -16.232 -5.531 1.00 21.54 H new ATOM 0 HG3 GLN A 64 -10.058 -15.574 -7.135 1.00 21.54 H new ATOM 0 HE21 GLN A 64 -12.100 -17.532 -5.086 1.00 55.42 H new ATOM 0 HE22 GLN A 64 -13.414 -17.759 -6.245 1.00 55.42 H new ATOM 972 N LEU A 65 -7.317 -14.802 -6.019 1.00 22.02 N ATOM 973 CA LEU A 65 -7.037 -13.410 -6.354 1.00 71.24 C ATOM 974 C LEU A 65 -5.543 -13.117 -6.260 1.00 52.03 C ATOM 975 O LEU A 65 -5.130 -11.959 -6.202 1.00 3.23 O ATOM 976 CB LEU A 65 -7.812 -12.475 -5.424 1.00 25.11 C ATOM 977 CG LEU A 65 -9.215 -12.935 -5.026 1.00 44.21 C ATOM 978 CD1 LEU A 65 -9.759 -12.073 -3.898 1.00 0.23 C ATOM 979 CD2 LEU A 65 -10.149 -12.897 -6.227 1.00 4.01 C ATOM 0 H LEU A 65 -7.295 -15.008 -5.020 1.00 22.02 H new ATOM 0 HA LEU A 65 -7.358 -13.238 -7.381 1.00 71.24 H new ATOM 0 HB2 LEU A 65 -7.227 -12.332 -4.515 1.00 25.11 H new ATOM 0 HB3 LEU A 65 -7.894 -11.501 -5.907 1.00 25.11 H new ATOM 0 HG LEU A 65 -9.153 -13.964 -4.672 1.00 44.21 H new ATOM 0 HD11 LEU A 65 -10.758 -12.415 -3.628 1.00 0.23 H new ATOM 0 HD12 LEU A 65 -9.102 -12.151 -3.031 1.00 0.23 H new ATOM 0 HD13 LEU A 65 -9.807 -11.034 -4.225 1.00 0.23 H new ATOM 0 HD21 LEU A 65 -11.143 -13.228 -5.926 1.00 4.01 H new ATOM 0 HD22 LEU A 65 -10.206 -11.879 -6.611 1.00 4.01 H new ATOM 0 HD23 LEU A 65 -9.768 -13.558 -7.006 1.00 4.01 H new ATOM 991 N PHE A 66 -4.738 -14.174 -6.249 1.00 3.25 N ATOM 992 CA PHE A 66 -3.289 -14.030 -6.163 1.00 70.01 C ATOM 993 C PHE A 66 -2.738 -13.333 -7.404 1.00 24.44 C ATOM 994 O PHE A 66 -1.653 -12.751 -7.372 1.00 64.11 O ATOM 995 CB PHE A 66 -2.628 -15.400 -5.997 1.00 71.05 C ATOM 996 CG PHE A 66 -1.127 -15.347 -6.010 1.00 51.04 C ATOM 997 CD1 PHE A 66 -0.417 -15.158 -4.836 1.00 32.54 C ATOM 998 CD2 PHE A 66 -0.426 -15.485 -7.198 1.00 31.14 C ATOM 999 CE1 PHE A 66 0.964 -15.110 -4.844 1.00 1.51 C ATOM 1000 CE2 PHE A 66 0.955 -15.437 -7.212 1.00 60.50 C ATOM 1001 CZ PHE A 66 1.651 -15.248 -6.034 1.00 70.20 C ATOM 0 H PHE A 66 -5.064 -15.139 -6.299 1.00 3.25 H new ATOM 0 HA PHE A 66 -3.060 -13.417 -5.291 1.00 70.01 H new ATOM 0 HB2 PHE A 66 -2.960 -15.843 -5.058 1.00 71.05 H new ATOM 0 HB3 PHE A 66 -2.967 -16.058 -6.797 1.00 71.05 H new ATOM 0 HD1 PHE A 66 -0.949 -15.047 -3.903 1.00 32.54 H new ATOM 0 HD2 PHE A 66 -0.965 -15.632 -8.122 1.00 31.14 H new ATOM 0 HE1 PHE A 66 1.505 -14.965 -3.921 1.00 1.51 H new ATOM 0 HE2 PHE A 66 1.490 -15.547 -8.144 1.00 60.50 H new ATOM 0 HZ PHE A 66 2.730 -15.208 -6.044 1.00 70.20 H new ATOM 1011 N LEU A 67 -3.492 -13.398 -8.495 1.00 42.13 N ATOM 1012 CA LEU A 67 -3.080 -12.774 -9.748 1.00 24.20 C ATOM 1013 C LEU A 67 -3.555 -11.326 -9.817 1.00 64.35 C ATOM 1014 O LEU A 67 -3.102 -10.553 -10.661 1.00 44.52 O ATOM 1015 CB LEU A 67 -3.631 -13.561 -10.938 1.00 62.41 C ATOM 1016 CG LEU A 67 -2.787 -14.748 -11.407 1.00 15.24 C ATOM 1017 CD1 LEU A 67 -3.527 -15.541 -12.473 1.00 14.33 C ATOM 1018 CD2 LEU A 67 -1.441 -14.271 -11.932 1.00 54.31 C ATOM 0 H LEU A 67 -4.392 -13.876 -8.538 1.00 42.13 H new ATOM 0 HA LEU A 67 -1.991 -12.782 -9.788 1.00 24.20 H new ATOM 0 HB2 LEU A 67 -4.624 -13.927 -10.677 1.00 62.41 H new ATOM 0 HB3 LEU A 67 -3.754 -12.875 -11.776 1.00 62.41 H new ATOM 0 HG LEU A 67 -2.610 -15.403 -10.554 1.00 15.24 H new ATOM 0 HD11 LEU A 67 -2.911 -16.381 -12.794 1.00 14.33 H new ATOM 0 HD12 LEU A 67 -4.465 -15.915 -12.063 1.00 14.33 H new ATOM 0 HD13 LEU A 67 -3.736 -14.896 -13.327 1.00 14.33 H new ATOM 0 HD21 LEU A 67 -0.854 -15.129 -12.261 1.00 54.31 H new ATOM 0 HD22 LEU A 67 -1.597 -13.594 -12.772 1.00 54.31 H new ATOM 0 HD23 LEU A 67 -0.906 -13.748 -11.139 1.00 54.31 H new ATOM 1030 N LYS A 68 -4.469 -10.966 -8.923 1.00 41.55 N ATOM 1031 CA LYS A 68 -5.004 -9.610 -8.880 1.00 2.22 C ATOM 1032 C LYS A 68 -4.093 -8.691 -8.071 1.00 71.42 C ATOM 1033 O LYS A 68 -4.170 -7.469 -8.185 1.00 41.10 O ATOM 1034 CB LYS A 68 -6.409 -9.613 -8.275 1.00 34.33 C ATOM 1035 CG LYS A 68 -7.397 -10.481 -9.036 1.00 11.43 C ATOM 1036 CD LYS A 68 -8.050 -9.715 -10.174 1.00 41.33 C ATOM 1037 CE LYS A 68 -9.555 -9.611 -9.985 1.00 55.20 C ATOM 1038 NZ LYS A 68 -9.922 -8.519 -9.041 1.00 2.00 N ATOM 0 H LYS A 68 -4.855 -11.594 -8.218 1.00 41.55 H new ATOM 0 HA LYS A 68 -5.056 -9.234 -9.902 1.00 2.22 H new ATOM 0 HB2 LYS A 68 -6.351 -9.962 -7.244 1.00 34.33 H new ATOM 0 HB3 LYS A 68 -6.785 -8.590 -8.245 1.00 34.33 H new ATOM 0 HG2 LYS A 68 -6.883 -11.356 -9.433 1.00 11.43 H new ATOM 0 HG3 LYS A 68 -8.165 -10.845 -8.353 1.00 11.43 H new ATOM 0 HD2 LYS A 68 -7.620 -8.715 -10.235 1.00 41.33 H new ATOM 0 HD3 LYS A 68 -7.835 -10.213 -11.120 1.00 41.33 H new ATOM 0 HE2 LYS A 68 -10.031 -9.432 -10.949 1.00 55.20 H new ATOM 0 HE3 LYS A 68 -9.940 -10.559 -9.611 1.00 55.20 H new ATOM 0 HZ1 LYS A 68 -10.956 -8.481 -8.939 1.00 2.00 H new ATOM 0 HZ2 LYS A 68 -9.489 -8.702 -8.113 1.00 2.00 H new ATOM 0 HZ3 LYS A 68 -9.577 -7.610 -9.410 1.00 2.00 H new ATOM 1052 N ASN A 69 -3.231 -9.289 -7.256 1.00 25.33 N ATOM 1053 CA ASN A 69 -2.304 -8.524 -6.429 1.00 32.31 C ATOM 1054 C ASN A 69 -0.981 -8.304 -7.156 1.00 20.04 C ATOM 1055 O ASN A 69 -0.169 -7.471 -6.751 1.00 72.40 O ATOM 1056 CB ASN A 69 -2.057 -9.246 -5.103 1.00 5.14 C ATOM 1057 CG ASN A 69 -3.301 -9.938 -4.580 1.00 4.34 C ATOM 1058 OD1 ASN A 69 -3.172 -11.218 -4.253 1.00 71.32 O flip ATOM 1059 ND2 ASN A 69 -4.364 -9.327 -4.470 1.00 73.53 N flip ATOM 0 H ASN A 69 -3.155 -10.301 -7.150 1.00 25.33 H new ATOM 0 HA ASN A 69 -2.753 -7.551 -6.227 1.00 32.31 H new ATOM 0 HB2 ASN A 69 -1.264 -9.982 -5.236 1.00 5.14 H new ATOM 0 HB3 ASN A 69 -1.705 -8.528 -4.362 1.00 5.14 H new ATOM 0 HD21 ASN A 69 -4.416 -8.343 -4.734 1.00 73.53 H new ATOM 0 HD22 ASN A 69 -5.192 -9.805 -4.115 1.00 73.53 H new ATOM 1066 N PHE A 70 -0.771 -9.056 -8.231 1.00 43.42 N ATOM 1067 CA PHE A 70 0.454 -8.943 -9.015 1.00 31.11 C ATOM 1068 C PHE A 70 0.170 -8.326 -10.382 1.00 24.45 C ATOM 1069 O PHE A 70 0.927 -7.484 -10.863 1.00 44.24 O ATOM 1070 CB PHE A 70 1.102 -10.318 -9.188 1.00 72.40 C ATOM 1071 CG PHE A 70 1.697 -10.864 -7.922 1.00 31.44 C ATOM 1072 CD1 PHE A 70 0.888 -11.190 -6.845 1.00 20.02 C ATOM 1073 CD2 PHE A 70 3.065 -11.053 -7.808 1.00 51.52 C ATOM 1074 CE1 PHE A 70 1.433 -11.692 -5.678 1.00 42.21 C ATOM 1075 CE2 PHE A 70 3.616 -11.554 -6.644 1.00 72.41 C ATOM 1076 CZ PHE A 70 2.799 -11.875 -5.578 1.00 75.40 C ATOM 0 H PHE A 70 -1.432 -9.750 -8.579 1.00 43.42 H new ATOM 0 HA PHE A 70 1.141 -8.290 -8.477 1.00 31.11 H new ATOM 0 HB2 PHE A 70 0.355 -11.019 -9.560 1.00 72.40 H new ATOM 0 HB3 PHE A 70 1.882 -10.250 -9.947 1.00 72.40 H new ATOM 0 HD1 PHE A 70 -0.180 -11.050 -6.918 1.00 20.02 H new ATOM 0 HD2 PHE A 70 3.709 -10.806 -8.639 1.00 51.52 H new ATOM 0 HE1 PHE A 70 0.792 -11.941 -4.845 1.00 42.21 H new ATOM 0 HE2 PHE A 70 4.684 -11.694 -6.568 1.00 72.41 H new ATOM 0 HZ PHE A 70 3.227 -12.268 -4.668 1.00 75.40 H new ATOM 1086 N SER A 71 -0.925 -8.753 -11.001 1.00 35.21 N ATOM 1087 CA SER A 71 -1.308 -8.247 -12.314 1.00 23.01 C ATOM 1088 C SER A 71 -2.684 -7.591 -12.264 1.00 33.24 C ATOM 1089 O SER A 71 -3.398 -7.697 -11.267 1.00 14.14 O ATOM 1090 CB SER A 71 -1.308 -9.381 -13.341 1.00 23.01 C ATOM 1091 OG SER A 71 -1.506 -10.636 -12.714 1.00 73.54 O ATOM 0 H SER A 71 -1.563 -9.448 -10.615 1.00 35.21 H new ATOM 0 HA SER A 71 -0.577 -7.495 -12.613 1.00 23.01 H new ATOM 0 HB2 SER A 71 -2.094 -9.210 -14.076 1.00 23.01 H new ATOM 0 HB3 SER A 71 -0.362 -9.386 -13.882 1.00 23.01 H new ATOM 0 HG SER A 71 -2.326 -10.608 -12.179 1.00 73.54 H new ATOM 1097 N SER A 72 -3.050 -6.913 -13.347 1.00 22.30 N ATOM 1098 CA SER A 72 -4.339 -6.236 -13.426 1.00 61.34 C ATOM 1099 C SER A 72 -5.132 -6.719 -14.637 1.00 35.24 C ATOM 1100 O SER A 72 -6.053 -6.045 -15.099 1.00 5.41 O ATOM 1101 CB SER A 72 -4.139 -4.722 -13.504 1.00 53.55 C ATOM 1102 OG SER A 72 -5.319 -4.032 -13.130 1.00 11.31 O ATOM 0 H SER A 72 -2.472 -6.818 -14.182 1.00 22.30 H new ATOM 0 HA SER A 72 -4.904 -6.475 -12.525 1.00 61.34 H new ATOM 0 HB2 SER A 72 -3.318 -4.426 -12.850 1.00 53.55 H new ATOM 0 HB3 SER A 72 -3.856 -4.441 -14.518 1.00 53.55 H new ATOM 0 HG SER A 72 -6.077 -4.377 -13.646 1.00 11.31 H new ATOM 1108 N SER A 73 -4.769 -7.892 -15.145 1.00 61.30 N ATOM 1109 CA SER A 73 -5.443 -8.465 -16.304 1.00 34.20 C ATOM 1110 C SER A 73 -5.976 -9.859 -15.988 1.00 73.52 C ATOM 1111 O SER A 73 -7.068 -10.231 -16.418 1.00 42.23 O ATOM 1112 CB SER A 73 -4.487 -8.530 -17.496 1.00 73.35 C ATOM 1113 OG SER A 73 -5.181 -8.851 -18.690 1.00 13.53 O ATOM 0 H SER A 73 -4.012 -8.464 -14.772 1.00 61.30 H new ATOM 0 HA SER A 73 -6.286 -7.822 -16.558 1.00 34.20 H new ATOM 0 HB2 SER A 73 -3.980 -7.572 -17.613 1.00 73.35 H new ATOM 0 HB3 SER A 73 -3.716 -9.277 -17.308 1.00 73.35 H new ATOM 0 HG SER A 73 -4.548 -8.885 -19.437 1.00 13.53 H new ATOM 1119 N ALA A 74 -5.197 -10.627 -15.233 1.00 42.05 N ATOM 1120 CA ALA A 74 -5.590 -11.979 -14.858 1.00 22.43 C ATOM 1121 C ALA A 74 -6.754 -11.959 -13.873 1.00 72.13 C ATOM 1122 O ALA A 74 -6.592 -11.580 -12.713 1.00 70.52 O ATOM 1123 CB ALA A 74 -4.406 -12.727 -14.262 1.00 42.23 C ATOM 0 H ALA A 74 -4.290 -10.335 -14.869 1.00 42.05 H new ATOM 0 HA ALA A 74 -5.918 -12.498 -15.759 1.00 22.43 H new ATOM 0 HB1 ALA A 74 -4.714 -13.736 -13.986 1.00 42.23 H new ATOM 0 HB2 ALA A 74 -3.603 -12.781 -14.997 1.00 42.23 H new ATOM 0 HB3 ALA A 74 -4.052 -12.201 -13.375 1.00 42.23 H new ATOM 1129 N ARG A 75 -7.928 -12.368 -14.344 1.00 21.01 N ATOM 1130 CA ARG A 75 -9.120 -12.395 -13.505 1.00 10.30 C ATOM 1131 C ARG A 75 -8.823 -13.048 -12.158 1.00 63.04 C ATOM 1132 O ARG A 75 -8.701 -12.368 -11.140 1.00 13.43 O ATOM 1133 CB ARG A 75 -10.250 -13.147 -14.211 1.00 25.33 C ATOM 1134 CG ARG A 75 -9.760 -14.226 -15.163 1.00 74.12 C ATOM 1135 CD ARG A 75 -10.671 -15.444 -15.141 1.00 53.41 C ATOM 1136 NE ARG A 75 -9.999 -16.620 -14.597 1.00 32.25 N ATOM 1137 CZ ARG A 75 -9.110 -17.338 -15.274 1.00 3.33 C ATOM 1138 NH1 ARG A 75 -8.787 -17.000 -16.514 1.00 43.44 N ATOM 1139 NH2 ARG A 75 -8.541 -18.395 -14.710 1.00 22.44 N ATOM 0 H ARG A 75 -8.079 -12.685 -15.302 1.00 21.01 H new ATOM 0 HA ARG A 75 -9.433 -11.366 -13.329 1.00 10.30 H new ATOM 0 HB2 ARG A 75 -10.897 -13.602 -13.461 1.00 25.33 H new ATOM 0 HB3 ARG A 75 -10.859 -12.433 -14.766 1.00 25.33 H new ATOM 0 HG2 ARG A 75 -9.711 -13.825 -16.175 1.00 74.12 H new ATOM 0 HG3 ARG A 75 -8.748 -14.522 -14.889 1.00 74.12 H new ATOM 0 HD2 ARG A 75 -11.556 -15.224 -14.544 1.00 53.41 H new ATOM 0 HD3 ARG A 75 -11.014 -15.658 -16.153 1.00 53.41 H new ATOM 0 HE ARG A 75 -10.225 -16.906 -13.644 1.00 32.25 H new ATOM 0 HH11 ARG A 75 -9.221 -16.187 -16.951 1.00 43.44 H new ATOM 0 HH12 ARG A 75 -8.104 -17.553 -17.032 1.00 43.44 H new ATOM 0 HH21 ARG A 75 -8.786 -18.657 -13.755 1.00 22.44 H new ATOM 0 HH22 ARG A 75 -7.858 -18.946 -15.231 1.00 22.44 H new ATOM 1153 N VAL A 76 -8.707 -14.372 -12.162 1.00 32.34 N ATOM 1154 CA VAL A 76 -8.424 -15.118 -10.941 1.00 43.11 C ATOM 1155 C VAL A 76 -7.749 -16.448 -11.254 1.00 63.53 C ATOM 1156 O VAL A 76 -7.825 -16.947 -12.378 1.00 41.43 O ATOM 1157 CB VAL A 76 -9.709 -15.384 -10.135 1.00 4.14 C ATOM 1158 CG1 VAL A 76 -10.121 -14.140 -9.362 1.00 33.41 C ATOM 1159 CG2 VAL A 76 -10.829 -15.846 -11.055 1.00 5.03 C ATOM 0 H VAL A 76 -8.805 -14.950 -12.997 1.00 32.34 H new ATOM 0 HA VAL A 76 -7.750 -14.504 -10.344 1.00 43.11 H new ATOM 0 HB VAL A 76 -9.509 -16.179 -9.417 1.00 4.14 H new ATOM 0 HG11 VAL A 76 -11.031 -14.347 -8.798 1.00 33.41 H new ATOM 0 HG12 VAL A 76 -9.324 -13.859 -8.674 1.00 33.41 H new ATOM 0 HG13 VAL A 76 -10.304 -13.322 -10.059 1.00 33.41 H new ATOM 0 HG21 VAL A 76 -11.729 -16.029 -10.469 1.00 5.03 H new ATOM 0 HG22 VAL A 76 -11.031 -15.075 -11.798 1.00 5.03 H new ATOM 0 HG23 VAL A 76 -10.530 -16.766 -11.558 1.00 5.03 H new ATOM 1169 N LEU A 77 -7.088 -17.020 -10.254 1.00 33.44 N ATOM 1170 CA LEU A 77 -6.399 -18.295 -10.421 1.00 72.22 C ATOM 1171 C LEU A 77 -7.321 -19.334 -11.052 1.00 13.13 C ATOM 1172 O LEU A 77 -8.541 -19.164 -11.077 1.00 61.30 O ATOM 1173 CB LEU A 77 -5.888 -18.803 -9.072 1.00 12.54 C ATOM 1174 CG LEU A 77 -4.964 -17.856 -8.305 1.00 43.01 C ATOM 1175 CD1 LEU A 77 -4.205 -18.610 -7.224 1.00 61.12 C ATOM 1176 CD2 LEU A 77 -3.996 -17.168 -9.257 1.00 73.23 C ATOM 0 H LEU A 77 -7.014 -16.621 -9.318 1.00 33.44 H new ATOM 0 HA LEU A 77 -5.551 -18.136 -11.087 1.00 72.22 H new ATOM 0 HB2 LEU A 77 -6.748 -19.029 -8.442 1.00 12.54 H new ATOM 0 HB3 LEU A 77 -5.358 -19.741 -9.237 1.00 12.54 H new ATOM 0 HG LEU A 77 -5.576 -17.092 -7.825 1.00 43.01 H new ATOM 0 HD11 LEU A 77 -3.553 -17.920 -6.689 1.00 61.12 H new ATOM 0 HD12 LEU A 77 -4.913 -19.055 -6.525 1.00 61.12 H new ATOM 0 HD13 LEU A 77 -3.604 -19.396 -7.682 1.00 61.12 H new ATOM 0 HD21 LEU A 77 -3.346 -16.498 -8.694 1.00 73.23 H new ATOM 0 HD22 LEU A 77 -3.390 -17.918 -9.765 1.00 73.23 H new ATOM 0 HD23 LEU A 77 -4.557 -16.594 -9.995 1.00 73.23 H new ATOM 1188 N THR A 78 -6.731 -20.412 -11.559 1.00 11.21 N ATOM 1189 CA THR A 78 -7.499 -21.479 -12.188 1.00 42.23 C ATOM 1190 C THR A 78 -7.266 -22.812 -11.486 1.00 12.52 C ATOM 1191 O THR A 78 -6.676 -22.861 -10.406 1.00 54.45 O ATOM 1192 CB THR A 78 -7.138 -21.627 -13.678 1.00 42.14 C ATOM 1193 OG1 THR A 78 -8.137 -22.402 -14.350 1.00 13.11 O ATOM 1194 CG2 THR A 78 -5.779 -22.291 -13.843 1.00 1.35 C ATOM 0 H THR A 78 -5.723 -20.569 -11.546 1.00 11.21 H new ATOM 0 HA THR A 78 -8.550 -21.205 -12.101 1.00 42.23 H new ATOM 0 HB THR A 78 -7.094 -20.631 -14.118 1.00 42.14 H new ATOM 0 HG1 THR A 78 -8.989 -22.321 -13.873 1.00 13.11 H new ATOM 0 HG21 THR A 78 -5.546 -22.385 -14.904 1.00 1.35 H new ATOM 0 HG22 THR A 78 -5.016 -21.684 -13.356 1.00 1.35 H new ATOM 0 HG23 THR A 78 -5.800 -23.281 -13.388 1.00 1.35 H new ATOM 1202 N SER A 79 -7.733 -23.891 -12.105 1.00 62.03 N ATOM 1203 CA SER A 79 -7.578 -25.225 -11.537 1.00 60.12 C ATOM 1204 C SER A 79 -6.149 -25.729 -11.716 1.00 72.44 C ATOM 1205 O SER A 79 -5.919 -26.767 -12.337 1.00 2.30 O ATOM 1206 CB SER A 79 -8.560 -26.198 -12.192 1.00 32.31 C ATOM 1207 OG SER A 79 -9.901 -25.812 -11.946 1.00 52.33 O ATOM 0 H SER A 79 -8.222 -23.868 -13.000 1.00 62.03 H new ATOM 0 HA SER A 79 -7.793 -25.166 -10.470 1.00 60.12 H new ATOM 0 HB2 SER A 79 -8.380 -26.233 -13.266 1.00 32.31 H new ATOM 0 HB3 SER A 79 -8.391 -27.204 -11.807 1.00 32.31 H new ATOM 0 HG SER A 79 -10.509 -26.449 -12.376 1.00 52.33 H new ATOM 1213 N ALA A 80 -5.193 -24.987 -11.168 1.00 12.31 N ATOM 1214 CA ALA A 80 -3.787 -25.358 -11.265 1.00 31.34 C ATOM 1215 C ALA A 80 -2.905 -24.371 -10.508 1.00 31.13 C ATOM 1216 O ALA A 80 -1.925 -24.761 -9.875 1.00 4.34 O ATOM 1217 CB ALA A 80 -3.362 -25.438 -12.723 1.00 64.52 C ATOM 0 H ALA A 80 -5.367 -24.125 -10.652 1.00 12.31 H new ATOM 0 HA ALA A 80 -3.663 -26.340 -10.808 1.00 31.34 H new ATOM 0 HB1 ALA A 80 -2.310 -25.716 -12.780 1.00 64.52 H new ATOM 0 HB2 ALA A 80 -3.964 -26.188 -13.237 1.00 64.52 H new ATOM 0 HB3 ALA A 80 -3.507 -24.468 -13.198 1.00 64.52 H new ATOM 1223 N GLU A 81 -3.260 -23.092 -10.579 1.00 34.13 N ATOM 1224 CA GLU A 81 -2.499 -22.050 -9.901 1.00 1.33 C ATOM 1225 C GLU A 81 -2.844 -22.003 -8.415 1.00 1.11 C ATOM 1226 O GLU A 81 -1.959 -22.019 -7.559 1.00 2.22 O ATOM 1227 CB GLU A 81 -2.773 -20.688 -10.542 1.00 42.22 C ATOM 1228 CG GLU A 81 -2.447 -20.637 -12.025 1.00 65.04 C ATOM 1229 CD GLU A 81 -2.189 -19.226 -12.518 1.00 72.31 C ATOM 1230 OE1 GLU A 81 -1.487 -18.471 -11.815 1.00 4.50 O ATOM 1231 OE2 GLU A 81 -2.691 -18.878 -13.608 1.00 23.43 O ATOM 0 H GLU A 81 -4.069 -22.753 -11.099 1.00 34.13 H new ATOM 0 HA GLU A 81 -1.440 -22.285 -10.003 1.00 1.33 H new ATOM 0 HB2 GLU A 81 -3.824 -20.434 -10.401 1.00 42.22 H new ATOM 0 HB3 GLU A 81 -2.189 -19.928 -10.024 1.00 42.22 H new ATOM 0 HG2 GLU A 81 -1.569 -21.253 -12.221 1.00 65.04 H new ATOM 0 HG3 GLU A 81 -3.273 -21.070 -12.590 1.00 65.04 H new ATOM 1238 N THR A 82 -4.138 -21.944 -8.115 1.00 60.44 N ATOM 1239 CA THR A 82 -4.601 -21.893 -6.735 1.00 33.44 C ATOM 1240 C THR A 82 -4.199 -23.151 -5.973 1.00 35.20 C ATOM 1241 O THR A 82 -3.851 -23.091 -4.794 1.00 34.15 O ATOM 1242 CB THR A 82 -6.131 -21.729 -6.661 1.00 71.11 C ATOM 1243 OG1 THR A 82 -6.638 -21.294 -7.927 1.00 55.53 O ATOM 1244 CG2 THR A 82 -6.517 -20.728 -5.583 1.00 3.31 C ATOM 0 H THR A 82 -4.884 -21.930 -8.811 1.00 60.44 H new ATOM 0 HA THR A 82 -4.127 -21.026 -6.275 1.00 33.44 H new ATOM 0 HB THR A 82 -6.566 -22.696 -6.408 1.00 71.11 H new ATOM 0 HG1 THR A 82 -7.611 -21.194 -7.873 1.00 55.53 H new ATOM 0 HG21 THR A 82 -7.602 -20.629 -5.550 1.00 3.31 H new ATOM 0 HG22 THR A 82 -6.155 -21.077 -4.616 1.00 3.31 H new ATOM 0 HG23 THR A 82 -6.071 -19.759 -5.809 1.00 3.31 H new ATOM 1252 N LYS A 83 -4.249 -24.291 -6.654 1.00 41.13 N ATOM 1253 CA LYS A 83 -3.888 -25.565 -6.043 1.00 51.51 C ATOM 1254 C LYS A 83 -2.380 -25.660 -5.834 1.00 52.03 C ATOM 1255 O LYS A 83 -1.916 -26.032 -4.757 1.00 63.43 O ATOM 1256 CB LYS A 83 -4.367 -26.727 -6.916 1.00 14.50 C ATOM 1257 CG LYS A 83 -5.849 -26.670 -7.244 1.00 34.12 C ATOM 1258 CD LYS A 83 -6.408 -28.052 -7.541 1.00 43.44 C ATOM 1259 CE LYS A 83 -7.925 -28.028 -7.651 1.00 44.02 C ATOM 1260 NZ LYS A 83 -8.481 -29.378 -7.943 1.00 23.32 N ATOM 0 H LYS A 83 -4.536 -24.359 -7.630 1.00 41.13 H new ATOM 0 HA LYS A 83 -4.376 -25.624 -5.070 1.00 51.51 H new ATOM 0 HB2 LYS A 83 -3.798 -26.731 -7.845 1.00 14.50 H new ATOM 0 HB3 LYS A 83 -4.152 -27.666 -6.406 1.00 14.50 H new ATOM 0 HG2 LYS A 83 -6.391 -26.229 -6.407 1.00 34.12 H new ATOM 0 HG3 LYS A 83 -6.007 -26.020 -8.104 1.00 34.12 H new ATOM 0 HD2 LYS A 83 -5.981 -28.426 -8.471 1.00 43.44 H new ATOM 0 HD3 LYS A 83 -6.110 -28.743 -6.753 1.00 43.44 H new ATOM 0 HE2 LYS A 83 -8.351 -27.653 -6.720 1.00 44.02 H new ATOM 0 HE3 LYS A 83 -8.221 -27.335 -8.439 1.00 44.02 H new ATOM 0 HZ1 LYS A 83 -9.517 -29.320 -8.010 1.00 23.32 H new ATOM 0 HZ2 LYS A 83 -8.095 -29.725 -8.844 1.00 23.32 H new ATOM 0 HZ3 LYS A 83 -8.220 -30.034 -7.179 1.00 23.32 H new ATOM 1274 N ALA A 84 -1.621 -25.320 -6.871 1.00 11.12 N ATOM 1275 CA ALA A 84 -0.166 -25.364 -6.799 1.00 61.01 C ATOM 1276 C ALA A 84 0.369 -24.299 -5.848 1.00 24.54 C ATOM 1277 O ALA A 84 1.554 -24.291 -5.513 1.00 2.12 O ATOM 1278 CB ALA A 84 0.436 -25.187 -8.185 1.00 43.11 C ATOM 0 H ALA A 84 -1.990 -25.011 -7.770 1.00 11.12 H new ATOM 0 HA ALA A 84 0.125 -26.340 -6.410 1.00 61.01 H new ATOM 0 HB1 ALA A 84 1.523 -25.222 -8.117 1.00 43.11 H new ATOM 0 HB2 ALA A 84 0.088 -25.987 -8.838 1.00 43.11 H new ATOM 0 HB3 ALA A 84 0.129 -24.225 -8.595 1.00 43.11 H new ATOM 1284 N PHE A 85 -0.511 -23.402 -5.415 1.00 64.35 N ATOM 1285 CA PHE A 85 -0.126 -22.332 -4.503 1.00 44.44 C ATOM 1286 C PHE A 85 -0.589 -22.636 -3.082 1.00 2.54 C ATOM 1287 O PHE A 85 0.180 -22.514 -2.127 1.00 14.24 O ATOM 1288 CB PHE A 85 -0.715 -20.999 -4.970 1.00 1.21 C ATOM 1289 CG PHE A 85 -0.197 -19.814 -4.205 1.00 74.22 C ATOM 1290 CD1 PHE A 85 1.068 -19.309 -4.457 1.00 53.25 C ATOM 1291 CD2 PHE A 85 -0.976 -19.206 -3.234 1.00 31.24 C ATOM 1292 CE1 PHE A 85 1.547 -18.219 -3.756 1.00 12.51 C ATOM 1293 CE2 PHE A 85 -0.503 -18.116 -2.529 1.00 44.52 C ATOM 1294 CZ PHE A 85 0.761 -17.622 -2.790 1.00 12.23 C ATOM 0 H PHE A 85 -1.496 -23.395 -5.681 1.00 64.35 H new ATOM 0 HA PHE A 85 0.962 -22.261 -4.504 1.00 44.44 H new ATOM 0 HB2 PHE A 85 -0.493 -20.864 -6.028 1.00 1.21 H new ATOM 0 HB3 PHE A 85 -1.800 -21.037 -4.875 1.00 1.21 H new ATOM 0 HD1 PHE A 85 1.687 -19.773 -5.210 1.00 53.25 H new ATOM 0 HD2 PHE A 85 -1.964 -19.588 -3.026 1.00 31.24 H new ATOM 0 HE1 PHE A 85 2.535 -17.834 -3.963 1.00 12.51 H new ATOM 0 HE2 PHE A 85 -1.120 -17.651 -1.775 1.00 44.52 H new ATOM 0 HZ PHE A 85 1.133 -16.771 -2.240 1.00 12.23 H new ATOM 1304 N LEU A 86 -1.850 -23.031 -2.949 1.00 0.13 N ATOM 1305 CA LEU A 86 -2.418 -23.352 -1.644 1.00 24.32 C ATOM 1306 C LEU A 86 -1.750 -24.588 -1.049 1.00 1.01 C ATOM 1307 O LEU A 86 -1.233 -24.550 0.067 1.00 15.24 O ATOM 1308 CB LEU A 86 -3.925 -23.581 -1.764 1.00 32.12 C ATOM 1309 CG LEU A 86 -4.750 -23.293 -0.509 1.00 1.31 C ATOM 1310 CD1 LEU A 86 -6.168 -22.890 -0.883 1.00 31.30 C ATOM 1311 CD2 LEU A 86 -4.763 -24.505 0.411 1.00 4.32 C ATOM 0 H LEU A 86 -2.499 -23.137 -3.729 1.00 0.13 H new ATOM 0 HA LEU A 86 -2.237 -22.508 -0.979 1.00 24.32 H new ATOM 0 HB2 LEU A 86 -4.304 -22.958 -2.574 1.00 32.12 H new ATOM 0 HB3 LEU A 86 -4.093 -24.618 -2.055 1.00 32.12 H new ATOM 0 HG LEU A 86 -4.287 -22.463 0.024 1.00 1.31 H new ATOM 0 HD11 LEU A 86 -6.740 -22.689 0.023 1.00 31.30 H new ATOM 0 HD12 LEU A 86 -6.140 -21.993 -1.501 1.00 31.30 H new ATOM 0 HD13 LEU A 86 -6.642 -23.699 -1.439 1.00 31.30 H new ATOM 0 HD21 LEU A 86 -5.355 -24.282 1.299 1.00 4.32 H new ATOM 0 HD22 LEU A 86 -5.201 -25.355 -0.113 1.00 4.32 H new ATOM 0 HD23 LEU A 86 -3.743 -24.748 0.707 1.00 4.32 H new ATOM 1323 N ALA A 87 -1.763 -25.682 -1.803 1.00 63.12 N ATOM 1324 CA ALA A 87 -1.155 -26.928 -1.352 1.00 42.15 C ATOM 1325 C ALA A 87 0.355 -26.779 -1.202 1.00 3.11 C ATOM 1326 O ALA A 87 1.013 -27.618 -0.587 1.00 11.42 O ATOM 1327 CB ALA A 87 -1.482 -28.055 -2.320 1.00 60.25 C ATOM 0 H ALA A 87 -2.188 -25.731 -2.729 1.00 63.12 H new ATOM 0 HA ALA A 87 -1.569 -27.172 -0.374 1.00 42.15 H new ATOM 0 HB1 ALA A 87 -1.022 -28.979 -1.971 1.00 60.25 H new ATOM 0 HB2 ALA A 87 -2.563 -28.186 -2.374 1.00 60.25 H new ATOM 0 HB3 ALA A 87 -1.096 -27.808 -3.309 1.00 60.25 H new ATOM 1333 N ALA A 88 0.899 -25.706 -1.768 1.00 72.31 N ATOM 1334 CA ALA A 88 2.331 -25.447 -1.695 1.00 63.33 C ATOM 1335 C ALA A 88 2.658 -24.482 -0.561 1.00 13.21 C ATOM 1336 O ALA A 88 3.752 -24.516 0.001 1.00 54.11 O ATOM 1337 CB ALA A 88 2.836 -24.897 -3.021 1.00 22.01 C ATOM 0 H ALA A 88 0.369 -25.002 -2.282 1.00 72.31 H new ATOM 0 HA ALA A 88 2.836 -26.391 -1.490 1.00 63.33 H new ATOM 0 HB1 ALA A 88 3.907 -24.708 -2.952 1.00 22.01 H new ATOM 0 HB2 ALA A 88 2.646 -25.622 -3.812 1.00 22.01 H new ATOM 0 HB3 ALA A 88 2.317 -23.966 -3.250 1.00 22.01 H new ATOM 1343 N GLY A 89 1.701 -23.620 -0.229 1.00 72.23 N ATOM 1344 CA GLY A 89 1.907 -22.657 0.836 1.00 12.32 C ATOM 1345 C GLY A 89 1.353 -23.133 2.164 1.00 31.52 C ATOM 1346 O GLY A 89 2.089 -23.256 3.144 1.00 53.44 O ATOM 0 H GLY A 89 0.787 -23.572 -0.679 1.00 72.23 H new ATOM 0 HA2 GLY A 89 2.974 -22.459 0.941 1.00 12.32 H new ATOM 0 HA3 GLY A 89 1.433 -21.714 0.565 1.00 12.32 H new ATOM 1350 N ASP A 90 0.052 -23.402 2.199 1.00 43.04 N ATOM 1351 CA ASP A 90 -0.600 -23.867 3.417 1.00 73.42 C ATOM 1352 C ASP A 90 0.138 -25.066 4.005 1.00 74.24 C ATOM 1353 O ASP A 90 0.011 -26.189 3.514 1.00 3.13 O ATOM 1354 CB ASP A 90 -2.056 -24.239 3.131 1.00 71.12 C ATOM 1355 CG ASP A 90 -2.644 -25.140 4.199 1.00 53.10 C ATOM 1356 OD1 ASP A 90 -2.364 -24.905 5.393 1.00 64.22 O ATOM 1357 OD2 ASP A 90 -3.385 -26.080 3.841 1.00 24.11 O ATOM 0 H ASP A 90 -0.571 -23.306 1.397 1.00 43.04 H new ATOM 0 HA ASP A 90 -0.576 -23.056 4.145 1.00 73.42 H new ATOM 0 HB2 ASP A 90 -2.653 -23.330 3.058 1.00 71.12 H new ATOM 0 HB3 ASP A 90 -2.117 -24.739 2.164 1.00 71.12 H new ATOM 1362 N THR A 91 0.910 -24.821 5.058 1.00 0.25 N ATOM 1363 CA THR A 91 1.670 -25.879 5.712 1.00 42.31 C ATOM 1364 C THR A 91 1.160 -26.130 7.126 1.00 14.52 C ATOM 1365 O THR A 91 0.925 -27.273 7.518 1.00 52.21 O ATOM 1366 CB THR A 91 3.171 -25.537 5.773 1.00 12.52 C ATOM 1367 OG1 THR A 91 3.344 -24.141 6.043 1.00 24.02 O ATOM 1368 CG2 THR A 91 3.861 -25.895 4.466 1.00 25.11 C ATOM 0 H THR A 91 1.026 -23.898 5.477 1.00 0.25 H new ATOM 0 HA THR A 91 1.534 -26.781 5.115 1.00 42.31 H new ATOM 0 HB THR A 91 3.622 -26.121 6.575 1.00 12.52 H new ATOM 0 HG1 THR A 91 4.301 -23.931 6.082 1.00 24.02 H new ATOM 0 HG21 THR A 91 4.920 -25.645 4.533 1.00 25.11 H new ATOM 0 HG22 THR A 91 3.752 -26.963 4.278 1.00 25.11 H new ATOM 0 HG23 THR A 91 3.407 -25.334 3.649 1.00 25.11 H new ATOM 1376 N ASP A 92 0.989 -25.055 7.888 1.00 41.42 N ATOM 1377 CA ASP A 92 0.504 -25.158 9.259 1.00 20.21 C ATOM 1378 C ASP A 92 -0.860 -24.490 9.405 1.00 22.51 C ATOM 1379 O ASP A 92 -1.110 -23.770 10.371 1.00 65.42 O ATOM 1380 CB ASP A 92 1.504 -24.521 10.226 1.00 74.42 C ATOM 1381 CG ASP A 92 1.838 -23.090 9.853 1.00 31.33 C ATOM 1382 OD1 ASP A 92 0.974 -22.209 10.048 1.00 63.14 O ATOM 1383 OD2 ASP A 92 2.963 -22.851 9.368 1.00 23.33 O ATOM 0 H ASP A 92 1.179 -24.102 7.579 1.00 41.42 H new ATOM 0 HA ASP A 92 0.398 -26.215 9.502 1.00 20.21 H new ATOM 0 HB2 ASP A 92 1.094 -24.544 11.236 1.00 74.42 H new ATOM 0 HB3 ASP A 92 2.419 -25.113 10.240 1.00 74.42 H new ATOM 1388 N GLY A 93 -1.739 -24.734 8.438 1.00 72.30 N ATOM 1389 CA GLY A 93 -3.066 -24.148 8.477 1.00 33.31 C ATOM 1390 C GLY A 93 -4.147 -25.134 8.082 1.00 74.45 C ATOM 1391 O GLY A 93 -3.866 -26.305 7.826 1.00 63.30 O ATOM 0 H GLY A 93 -1.556 -25.327 7.628 1.00 72.30 H new ATOM 0 HA2 GLY A 93 -3.267 -23.777 9.482 1.00 33.31 H new ATOM 0 HA3 GLY A 93 -3.100 -23.289 7.807 1.00 33.31 H new ATOM 1395 N ASP A 94 -5.388 -24.662 8.032 1.00 2.54 N ATOM 1396 CA ASP A 94 -6.516 -25.510 7.666 1.00 64.22 C ATOM 1397 C ASP A 94 -7.240 -24.954 6.444 1.00 11.41 C ATOM 1398 O ASP A 94 -8.203 -24.199 6.571 1.00 12.23 O ATOM 1399 CB ASP A 94 -7.489 -25.635 8.839 1.00 75.55 C ATOM 1400 CG ASP A 94 -8.556 -26.685 8.596 1.00 71.12 C ATOM 1401 OD1 ASP A 94 -8.255 -27.692 7.921 1.00 3.41 O ATOM 1402 OD2 ASP A 94 -9.693 -26.500 9.080 1.00 45.22 O ATOM 0 H ASP A 94 -5.638 -23.695 8.241 1.00 2.54 H new ATOM 0 HA ASP A 94 -6.130 -26.499 7.418 1.00 64.22 H new ATOM 0 HB2 ASP A 94 -6.934 -25.887 9.743 1.00 75.55 H new ATOM 0 HB3 ASP A 94 -7.966 -24.671 9.016 1.00 75.55 H new ATOM 1407 N GLY A 95 -6.769 -25.331 5.260 1.00 65.25 N ATOM 1408 CA GLY A 95 -7.382 -24.859 4.032 1.00 34.31 C ATOM 1409 C GLY A 95 -7.201 -23.368 3.829 1.00 33.13 C ATOM 1410 O GLY A 95 -8.034 -22.713 3.202 1.00 31.22 O ATOM 0 H GLY A 95 -5.973 -25.955 5.129 1.00 65.25 H new ATOM 0 HA2 GLY A 95 -6.950 -25.393 3.186 1.00 34.31 H new ATOM 0 HA3 GLY A 95 -8.446 -25.094 4.047 1.00 34.31 H new ATOM 1414 N LYS A 96 -6.110 -22.828 4.362 1.00 34.44 N ATOM 1415 CA LYS A 96 -5.822 -21.405 4.238 1.00 45.42 C ATOM 1416 C LYS A 96 -4.329 -21.136 4.404 1.00 52.34 C ATOM 1417 O LYS A 96 -3.561 -22.036 4.743 1.00 30.14 O ATOM 1418 CB LYS A 96 -6.613 -20.610 5.279 1.00 5.31 C ATOM 1419 CG LYS A 96 -6.398 -21.092 6.704 1.00 55.35 C ATOM 1420 CD LYS A 96 -7.580 -20.745 7.593 1.00 14.32 C ATOM 1421 CE LYS A 96 -7.469 -21.414 8.954 1.00 31.53 C ATOM 1422 NZ LYS A 96 -8.592 -21.031 9.855 1.00 64.14 N ATOM 0 H LYS A 96 -5.411 -23.356 4.884 1.00 34.44 H new ATOM 0 HA LYS A 96 -6.123 -21.085 3.241 1.00 45.42 H new ATOM 0 HB2 LYS A 96 -6.331 -19.559 5.213 1.00 5.31 H new ATOM 0 HB3 LYS A 96 -7.675 -20.670 5.040 1.00 5.31 H new ATOM 0 HG2 LYS A 96 -6.245 -22.171 6.705 1.00 55.35 H new ATOM 0 HG3 LYS A 96 -5.492 -20.641 7.109 1.00 55.35 H new ATOM 0 HD2 LYS A 96 -7.635 -19.664 7.721 1.00 14.32 H new ATOM 0 HD3 LYS A 96 -8.505 -21.056 7.108 1.00 14.32 H new ATOM 0 HE2 LYS A 96 -7.459 -22.496 8.827 1.00 31.53 H new ATOM 0 HE3 LYS A 96 -6.522 -21.139 9.418 1.00 31.53 H new ATOM 0 HZ1 LYS A 96 -8.479 -21.508 10.772 1.00 64.14 H new ATOM 0 HZ2 LYS A 96 -8.587 -20.001 9.998 1.00 64.14 H new ATOM 0 HZ3 LYS A 96 -9.495 -21.316 9.425 1.00 64.14 H new ATOM 1436 N ILE A 97 -3.926 -19.893 4.163 1.00 14.41 N ATOM 1437 CA ILE A 97 -2.527 -19.506 4.289 1.00 43.03 C ATOM 1438 C ILE A 97 -2.387 -18.181 5.030 1.00 2.21 C ATOM 1439 O ILE A 97 -3.215 -17.284 4.881 1.00 13.33 O ATOM 1440 CB ILE A 97 -1.850 -19.384 2.910 1.00 15.03 C ATOM 1441 CG1 ILE A 97 -1.816 -20.745 2.213 1.00 72.25 C ATOM 1442 CG2 ILE A 97 -0.444 -18.823 3.058 1.00 11.11 C ATOM 1443 CD1 ILE A 97 -1.137 -20.715 0.861 1.00 1.33 C ATOM 0 H ILE A 97 -4.549 -19.137 3.879 1.00 14.41 H new ATOM 0 HA ILE A 97 -2.033 -20.292 4.860 1.00 43.03 H new ATOM 0 HB ILE A 97 -2.431 -18.696 2.295 1.00 15.03 H new ATOM 0 HG12 ILE A 97 -1.300 -21.460 2.854 1.00 72.25 H new ATOM 0 HG13 ILE A 97 -2.837 -21.107 2.090 1.00 72.25 H new ATOM 0 HG21 ILE A 97 0.021 -18.743 2.075 1.00 11.11 H new ATOM 0 HG22 ILE A 97 -0.493 -17.836 3.518 1.00 11.11 H new ATOM 0 HG23 ILE A 97 0.149 -19.488 3.687 1.00 11.11 H new ATOM 0 HD11 ILE A 97 -1.150 -21.714 0.425 1.00 1.33 H new ATOM 0 HD12 ILE A 97 -1.666 -20.025 0.203 1.00 1.33 H new ATOM 0 HD13 ILE A 97 -0.105 -20.384 0.979 1.00 1.33 H new ATOM 1455 N GLY A 98 -1.330 -18.064 5.829 1.00 32.40 N ATOM 1456 CA GLY A 98 -1.099 -16.845 6.581 1.00 55.32 C ATOM 1457 C GLY A 98 0.172 -16.136 6.159 1.00 3.34 C ATOM 1458 O GLY A 98 0.313 -15.732 5.005 1.00 3.41 O ATOM 0 H GLY A 98 -0.630 -18.792 5.968 1.00 32.40 H new ATOM 0 HA2 GLY A 98 -1.947 -16.173 6.448 1.00 55.32 H new ATOM 0 HA3 GLY A 98 -1.044 -17.082 7.643 1.00 55.32 H new ATOM 1462 N VAL A 99 1.101 -15.982 7.098 1.00 62.22 N ATOM 1463 CA VAL A 99 2.368 -15.316 6.818 1.00 32.41 C ATOM 1464 C VAL A 99 3.527 -16.306 6.847 1.00 21.05 C ATOM 1465 O VAL A 99 4.260 -16.447 5.869 1.00 30.01 O ATOM 1466 CB VAL A 99 2.644 -14.188 7.830 1.00 64.51 C ATOM 1467 CG1 VAL A 99 2.493 -12.828 7.167 1.00 0.33 C ATOM 1468 CG2 VAL A 99 1.719 -14.312 9.031 1.00 52.22 C ATOM 0 H VAL A 99 1.000 -16.309 8.059 1.00 62.22 H new ATOM 0 HA VAL A 99 2.287 -14.886 5.820 1.00 32.41 H new ATOM 0 HB VAL A 99 3.671 -14.281 8.182 1.00 64.51 H new ATOM 0 HG11 VAL A 99 2.692 -12.043 7.897 1.00 0.33 H new ATOM 0 HG12 VAL A 99 3.201 -12.744 6.343 1.00 0.33 H new ATOM 0 HG13 VAL A 99 1.478 -12.720 6.785 1.00 0.33 H new ATOM 0 HG21 VAL A 99 1.928 -13.507 9.736 1.00 52.22 H new ATOM 0 HG22 VAL A 99 0.683 -14.245 8.700 1.00 52.22 H new ATOM 0 HG23 VAL A 99 1.883 -15.273 9.519 1.00 52.22 H new ATOM 1478 N GLU A 100 3.686 -16.989 7.977 1.00 63.54 N ATOM 1479 CA GLU A 100 4.758 -17.966 8.133 1.00 75.42 C ATOM 1480 C GLU A 100 4.690 -19.027 7.038 1.00 64.30 C ATOM 1481 O GLU A 100 5.715 -19.554 6.607 1.00 45.00 O ATOM 1482 CB GLU A 100 4.675 -18.631 9.508 1.00 32.44 C ATOM 1483 CG GLU A 100 5.812 -18.246 10.440 1.00 73.50 C ATOM 1484 CD GLU A 100 6.091 -19.306 11.488 1.00 23.01 C ATOM 1485 OE1 GLU A 100 5.239 -20.201 11.670 1.00 4.53 O ATOM 1486 OE2 GLU A 100 7.163 -19.240 12.126 1.00 20.31 O ATOM 0 H GLU A 100 3.087 -16.884 8.796 1.00 63.54 H new ATOM 0 HA GLU A 100 5.709 -17.441 8.048 1.00 75.42 H new ATOM 0 HB2 GLU A 100 3.727 -18.363 9.975 1.00 32.44 H new ATOM 0 HB3 GLU A 100 4.673 -19.713 9.379 1.00 32.44 H new ATOM 0 HG2 GLU A 100 6.715 -18.073 9.854 1.00 73.50 H new ATOM 0 HG3 GLU A 100 5.569 -17.306 10.935 1.00 73.50 H new ATOM 1493 N GLU A 101 3.476 -19.335 6.594 1.00 33.10 N ATOM 1494 CA GLU A 101 3.275 -20.334 5.551 1.00 51.12 C ATOM 1495 C GLU A 101 3.391 -19.705 4.165 1.00 12.45 C ATOM 1496 O GLU A 101 3.463 -20.407 3.157 1.00 53.45 O ATOM 1497 CB GLU A 101 1.906 -20.999 5.708 1.00 61.52 C ATOM 1498 CG GLU A 101 1.666 -21.579 7.092 1.00 63.54 C ATOM 1499 CD GLU A 101 0.206 -21.898 7.345 1.00 32.45 C ATOM 1500 OE1 GLU A 101 -0.294 -22.888 6.772 1.00 73.31 O ATOM 1501 OE2 GLU A 101 -0.437 -21.157 8.119 1.00 61.35 O ATOM 0 H GLU A 101 2.617 -18.907 6.940 1.00 33.10 H new ATOM 0 HA GLU A 101 4.053 -21.091 5.654 1.00 51.12 H new ATOM 0 HB2 GLU A 101 1.129 -20.267 5.490 1.00 61.52 H new ATOM 0 HB3 GLU A 101 1.811 -21.794 4.969 1.00 61.52 H new ATOM 0 HG2 GLU A 101 2.258 -22.487 7.209 1.00 63.54 H new ATOM 0 HG3 GLU A 101 2.015 -20.871 7.844 1.00 63.54 H new ATOM 1508 N PHE A 102 3.408 -18.376 4.125 1.00 73.50 N ATOM 1509 CA PHE A 102 3.513 -17.651 2.864 1.00 21.32 C ATOM 1510 C PHE A 102 4.974 -17.473 2.460 1.00 54.21 C ATOM 1511 O PHE A 102 5.422 -18.025 1.456 1.00 73.52 O ATOM 1512 CB PHE A 102 2.833 -16.285 2.979 1.00 63.33 C ATOM 1513 CG PHE A 102 2.815 -15.515 1.689 1.00 11.04 C ATOM 1514 CD1 PHE A 102 1.788 -15.692 0.776 1.00 2.20 C ATOM 1515 CD2 PHE A 102 3.825 -14.614 1.391 1.00 74.43 C ATOM 1516 CE1 PHE A 102 1.768 -14.984 -0.411 1.00 70.22 C ATOM 1517 CE2 PHE A 102 3.809 -13.904 0.205 1.00 5.24 C ATOM 1518 CZ PHE A 102 2.781 -14.090 -0.697 1.00 54.22 C ATOM 0 H PHE A 102 3.350 -17.780 4.951 1.00 73.50 H new ATOM 0 HA PHE A 102 3.010 -18.235 2.094 1.00 21.32 H new ATOM 0 HB2 PHE A 102 1.808 -16.426 3.323 1.00 63.33 H new ATOM 0 HB3 PHE A 102 3.346 -15.695 3.738 1.00 63.33 H new ATOM 0 HD1 PHE A 102 0.994 -16.391 0.994 1.00 2.20 H new ATOM 0 HD2 PHE A 102 4.633 -14.465 2.092 1.00 74.43 H new ATOM 0 HE1 PHE A 102 0.961 -15.130 -1.114 1.00 70.22 H new ATOM 0 HE2 PHE A 102 4.601 -13.204 -0.016 1.00 5.24 H new ATOM 0 HZ PHE A 102 2.769 -13.537 -1.625 1.00 54.22 H new ATOM 1528 N GLN A 103 5.709 -16.697 3.249 1.00 3.23 N ATOM 1529 CA GLN A 103 7.119 -16.444 2.973 1.00 35.30 C ATOM 1530 C GLN A 103 7.889 -17.753 2.833 1.00 31.14 C ATOM 1531 O GLN A 103 8.809 -17.860 2.022 1.00 13.23 O ATOM 1532 CB GLN A 103 7.733 -15.593 4.085 1.00 4.12 C ATOM 1533 CG GLN A 103 7.552 -16.183 5.474 1.00 20.42 C ATOM 1534 CD GLN A 103 8.318 -15.421 6.537 1.00 1.21 C ATOM 1535 OE1 GLN A 103 7.865 -14.383 7.020 1.00 5.34 O ATOM 1536 NE2 GLN A 103 9.486 -15.933 6.908 1.00 50.04 N ATOM 0 H GLN A 103 5.352 -16.232 4.084 1.00 3.23 H new ATOM 0 HA GLN A 103 7.188 -15.901 2.030 1.00 35.30 H new ATOM 0 HB2 GLN A 103 8.798 -15.467 3.889 1.00 4.12 H new ATOM 0 HB3 GLN A 103 7.285 -14.600 4.060 1.00 4.12 H new ATOM 0 HG2 GLN A 103 6.492 -16.186 5.728 1.00 20.42 H new ATOM 0 HG3 GLN A 103 7.882 -17.222 5.469 1.00 20.42 H new ATOM 0 HE21 GLN A 103 9.823 -16.796 6.481 1.00 50.04 H new ATOM 0 HE22 GLN A 103 10.046 -15.463 7.620 1.00 50.04 H new ATOM 1545 N SER A 104 7.507 -18.747 3.630 1.00 44.52 N ATOM 1546 CA SER A 104 8.165 -20.047 3.598 1.00 63.51 C ATOM 1547 C SER A 104 8.124 -20.643 2.194 1.00 42.33 C ATOM 1548 O SER A 104 8.929 -21.510 1.850 1.00 1.43 O ATOM 1549 CB SER A 104 7.499 -21.004 4.589 1.00 4.22 C ATOM 1550 OG SER A 104 7.954 -22.333 4.399 1.00 15.44 O ATOM 0 H SER A 104 6.746 -18.676 4.305 1.00 44.52 H new ATOM 0 HA SER A 104 9.207 -19.906 3.884 1.00 63.51 H new ATOM 0 HB2 SER A 104 7.715 -20.685 5.609 1.00 4.22 H new ATOM 0 HB3 SER A 104 6.417 -20.966 4.465 1.00 4.22 H new ATOM 0 HG SER A 104 7.515 -22.925 5.045 1.00 15.44 H new ATOM 1556 N LEU A 105 7.181 -20.171 1.386 1.00 71.42 N ATOM 1557 CA LEU A 105 7.033 -20.656 0.018 1.00 41.03 C ATOM 1558 C LEU A 105 7.821 -19.786 -0.956 1.00 52.33 C ATOM 1559 O LEU A 105 8.564 -20.292 -1.797 1.00 23.45 O ATOM 1560 CB LEU A 105 5.556 -20.678 -0.380 1.00 2.22 C ATOM 1561 CG LEU A 105 5.250 -21.162 -1.797 1.00 74.52 C ATOM 1562 CD1 LEU A 105 3.850 -21.754 -1.868 1.00 43.33 C ATOM 1563 CD2 LEU A 105 5.401 -20.023 -2.795 1.00 34.33 C ATOM 0 H LEU A 105 6.508 -19.453 1.654 1.00 71.42 H new ATOM 0 HA LEU A 105 7.430 -21.670 -0.026 1.00 41.03 H new ATOM 0 HB2 LEU A 105 5.020 -21.315 0.324 1.00 2.22 H new ATOM 0 HB3 LEU A 105 5.155 -19.671 -0.267 1.00 2.22 H new ATOM 0 HG LEU A 105 5.966 -21.942 -2.056 1.00 74.52 H new ATOM 0 HD11 LEU A 105 3.650 -22.093 -2.884 1.00 43.33 H new ATOM 0 HD12 LEU A 105 3.777 -22.598 -1.182 1.00 43.33 H new ATOM 0 HD13 LEU A 105 3.119 -20.995 -1.588 1.00 43.33 H new ATOM 0 HD21 LEU A 105 5.179 -20.387 -3.798 1.00 34.33 H new ATOM 0 HD22 LEU A 105 4.709 -19.221 -2.539 1.00 34.33 H new ATOM 0 HD23 LEU A 105 6.423 -19.645 -2.764 1.00 34.33 H new ATOM 1575 N VAL A 106 7.654 -18.472 -0.836 1.00 63.32 N ATOM 1576 CA VAL A 106 8.352 -17.531 -1.704 1.00 1.34 C ATOM 1577 C VAL A 106 9.864 -17.686 -1.580 1.00 14.02 C ATOM 1578 O VAL A 106 10.547 -18.015 -2.550 1.00 11.12 O ATOM 1579 CB VAL A 106 7.968 -16.075 -1.376 1.00 70.53 C ATOM 1580 CG1 VAL A 106 8.885 -15.104 -2.104 1.00 25.44 C ATOM 1581 CG2 VAL A 106 6.512 -15.816 -1.734 1.00 3.11 C ATOM 0 H VAL A 106 7.042 -18.036 -0.147 1.00 63.32 H new ATOM 0 HA VAL A 106 8.049 -17.758 -2.726 1.00 1.34 H new ATOM 0 HB VAL A 106 8.089 -15.917 -0.304 1.00 70.53 H new ATOM 0 HG11 VAL A 106 8.599 -14.081 -1.860 1.00 25.44 H new ATOM 0 HG12 VAL A 106 9.916 -15.276 -1.795 1.00 25.44 H new ATOM 0 HG13 VAL A 106 8.798 -15.259 -3.180 1.00 25.44 H new ATOM 0 HG21 VAL A 106 6.257 -14.783 -1.496 1.00 3.11 H new ATOM 0 HG22 VAL A 106 6.363 -15.990 -2.800 1.00 3.11 H new ATOM 0 HG23 VAL A 106 5.872 -16.489 -1.163 1.00 3.11 H new ATOM 1591 N LYS A 107 10.381 -17.448 -0.379 1.00 51.54 N ATOM 1592 CA LYS A 107 11.812 -17.562 -0.126 1.00 62.21 C ATOM 1593 C LYS A 107 12.321 -18.951 -0.498 1.00 20.33 C ATOM 1594 O LYS A 107 13.513 -19.143 -0.735 1.00 2.13 O ATOM 1595 CB LYS A 107 12.115 -17.273 1.346 1.00 62.31 C ATOM 1596 CG LYS A 107 11.698 -18.393 2.284 1.00 40.12 C ATOM 1597 CD LYS A 107 11.360 -17.864 3.668 1.00 65.22 C ATOM 1598 CE LYS A 107 12.611 -17.671 4.511 1.00 25.01 C ATOM 1599 NZ LYS A 107 12.318 -17.763 5.968 1.00 12.51 N ATOM 0 H LYS A 107 9.830 -17.175 0.434 1.00 51.54 H new ATOM 0 HA LYS A 107 12.325 -16.828 -0.747 1.00 62.21 H new ATOM 0 HB2 LYS A 107 13.184 -17.094 1.460 1.00 62.31 H new ATOM 0 HB3 LYS A 107 11.605 -16.355 1.640 1.00 62.31 H new ATOM 0 HG2 LYS A 107 10.833 -18.912 1.871 1.00 40.12 H new ATOM 0 HG3 LYS A 107 12.503 -19.124 2.359 1.00 40.12 H new ATOM 0 HD2 LYS A 107 10.831 -16.915 3.577 1.00 65.22 H new ATOM 0 HD3 LYS A 107 10.685 -18.558 4.169 1.00 65.22 H new ATOM 0 HE2 LYS A 107 13.351 -18.425 4.241 1.00 25.01 H new ATOM 0 HE3 LYS A 107 13.051 -16.699 4.290 1.00 25.01 H new ATOM 0 HZ1 LYS A 107 13.210 -17.830 6.498 1.00 12.51 H new ATOM 0 HZ2 LYS A 107 11.798 -16.915 6.272 1.00 12.51 H new ATOM 0 HZ3 LYS A 107 11.741 -18.608 6.153 1.00 12.51 H new ATOM 1613 N ALA A 108 11.409 -19.917 -0.548 1.00 0.32 N ATOM 1614 CA ALA A 108 11.765 -21.287 -0.894 1.00 44.02 C ATOM 1615 C ALA A 108 11.524 -21.560 -2.375 1.00 14.51 C ATOM 1616 O ALA A 108 12.468 -21.750 -3.143 1.00 55.10 O ATOM 1617 CB ALA A 108 10.978 -22.269 -0.039 1.00 62.24 C ATOM 0 H ALA A 108 10.418 -19.775 -0.353 1.00 0.32 H new ATOM 0 HA ALA A 108 12.828 -21.421 -0.696 1.00 44.02 H new ATOM 0 HB1 ALA A 108 11.254 -23.288 -0.308 1.00 62.24 H new ATOM 0 HB2 ALA A 108 11.204 -22.098 1.013 1.00 62.24 H new ATOM 0 HB3 ALA A 108 9.911 -22.125 -0.209 1.00 62.24 H new TER 1623 ALA A 108