USER MOD reduce.3.24.130724 H: found=0, std=0, add=1141, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1137 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 143 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 145 ASN : amide:sc= -0.0284 X(o=-0.028,f=0) USER MOD Set 2.1: A 34 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 49 MET CE :methyl 164:sc= -0.0218 (180deg=-0.297) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= -0.0279 X(o=-0.028,f=-0.028) USER MOD Single : A 4 THR OG1 : rot 10:sc= 1.18 USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 HIS : no HD1:sc= -0.0378 X(o=-0.038,f=-0.38) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= 0.557 K(o=0.56,f=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 0.864 K(o=0.86,f=-6.7!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 GLN :FLIP amide:sc= -1.88 F(o=-2.7!,f=-1.9) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.0858 USER MOD Single : A 48 TYR OH : rot -24:sc= 0.687 USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.226 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 0.0361 K(o=0.036,f=-4!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 53:sc= 1.25 USER MOD Single : A 57 GLN : amide:sc= -0.125 K(o=-0.12,f=-0.78) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 68:sc= 1.21 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 MET CE :methyl 162:sc= 0 (180deg=-0.567) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 166:sc= 1.25 USER MOD Single : A 77 THR OG1 : rot 63:sc= 1.21 USER MOD Single : A 78 THR OG1 : rot -127:sc= 0.85 USER MOD Single : A 79 HIS : no HE2:sc= 0.0766 K(o=0.077,f=-0.85) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0.27 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 GLN : amide:sc= 0.736 K(o=0.74,f=0) USER MOD Single : A 108 HIS : no HD1:sc= 0 X(o=0,f=-0.08) USER MOD Single : A 110 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 112 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 115 LYS NZ :NH3+ -172:sc= 0.892 (180deg=0.85) USER MOD Single : A 119 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.0038) USER MOD Single : A 123 THR OG1 : rot 180:sc= 0 USER MOD Single : A 125 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 127 THR OG1 : rot 77:sc= 0.414 USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 THR OG1 : rot -43:sc= 0.453 USER MOD Single : A 135 THR OG1 : rot -170:sc= 0.0124 USER MOD Single : A 137 ASN : amide:sc= -0.0396 X(o=-0.04,f=0) USER MOD Single : A 141 THR OG1 : rot 180:sc= 0 USER MOD Single : A 144 LYS NZ :NH3+ -172:sc= 1.05 (180deg=0.995) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -53.513 63.713 -45.425 1.00 93.19 N ATOM 2 CA MET A 1 -53.479 62.351 -45.995 1.00 93.15 C ATOM 3 C MET A 1 -52.602 61.388 -45.193 1.00 91.51 C ATOM 4 O MET A 1 -53.126 60.343 -44.813 1.00 91.35 O ATOM 5 CB MET A 1 -53.196 62.333 -47.507 1.00 94.27 C ATOM 6 CG MET A 1 -51.763 62.678 -47.936 1.00 94.24 C ATOM 7 SD MET A 1 -51.581 62.763 -49.737 1.00 95.78 S ATOM 8 CE MET A 1 -49.776 62.885 -49.850 1.00 95.22 C ATOM 0 H1 MET A 1 -54.122 64.319 -46.011 1.00 93.19 H new ATOM 0 H2 MET A 1 -53.891 63.675 -44.457 1.00 93.19 H new ATOM 0 H3 MET A 1 -52.550 64.105 -45.406 1.00 93.19 H new ATOM 0 HA MET A 1 -54.493 61.963 -45.895 1.00 93.15 H new ATOM 0 HB2 MET A 1 -53.438 61.341 -47.888 1.00 94.27 H new ATOM 0 HB3 MET A 1 -53.876 63.034 -47.990 1.00 94.27 H new ATOM 0 HG2 MET A 1 -51.477 63.635 -47.499 1.00 94.24 H new ATOM 0 HG3 MET A 1 -51.078 61.929 -47.539 1.00 94.24 H new ATOM 0 HE1 MET A 1 -49.480 62.947 -50.897 1.00 95.22 H new ATOM 0 HE2 MET A 1 -49.438 63.778 -49.324 1.00 95.22 H new ATOM 0 HE3 MET A 1 -49.323 62.004 -49.396 1.00 95.22 H new ATOM 20 N GLY A 2 -51.332 61.709 -44.906 1.00 90.37 N ATOM 21 CA GLY A 2 -50.423 60.848 -44.133 1.00 88.79 C ATOM 22 C GLY A 2 -49.364 60.110 -44.962 1.00 88.19 C ATOM 23 O GLY A 2 -49.210 60.324 -46.161 1.00 89.00 O ATOM 0 H GLY A 2 -50.902 62.583 -45.207 1.00 90.37 H new ATOM 0 HA2 GLY A 2 -49.916 61.459 -43.386 1.00 88.79 H new ATOM 0 HA3 GLY A 2 -51.017 60.111 -43.592 1.00 88.79 H new ATOM 27 N HIS A 3 -48.604 59.256 -44.282 1.00 86.75 N ATOM 28 CA HIS A 3 -47.432 58.509 -44.745 1.00 85.86 C ATOM 29 C HIS A 3 -47.102 57.466 -43.651 1.00 84.32 C ATOM 30 O HIS A 3 -47.706 57.534 -42.575 1.00 83.94 O ATOM 31 CB HIS A 3 -46.278 59.501 -45.003 1.00 85.57 C ATOM 32 CG HIS A 3 -45.043 58.911 -45.639 1.00 85.17 C ATOM 33 ND1 HIS A 3 -44.910 58.488 -46.945 1.00 85.91 N ATOM 34 CD2 HIS A 3 -43.806 58.800 -45.059 1.00 84.07 C ATOM 35 CE1 HIS A 3 -43.627 58.135 -47.139 1.00 85.27 C ATOM 36 NE2 HIS A 3 -42.916 58.300 -46.013 1.00 84.14 N ATOM 0 H HIS A 3 -48.809 59.049 -43.305 1.00 86.75 H new ATOM 0 HA HIS A 3 -47.608 57.984 -45.684 1.00 85.86 H new ATOM 0 HB2 HIS A 3 -46.647 60.302 -45.643 1.00 85.57 H new ATOM 0 HB3 HIS A 3 -45.994 59.956 -44.054 1.00 85.57 H new ATOM 0 HD2 HIS A 3 -43.561 59.055 -44.039 1.00 84.07 H new ATOM 0 HE1 HIS A 3 -43.224 57.769 -48.072 1.00 85.27 H new ATOM 0 HE2 HIS A 3 -41.925 58.100 -45.880 1.00 84.14 H new ATOM 44 N THR A 4 -46.197 56.503 -43.879 1.00 83.46 N ATOM 45 CA THR A 4 -45.861 55.433 -42.914 1.00 82.00 C ATOM 46 C THR A 4 -44.582 54.732 -43.340 1.00 80.94 C ATOM 47 O THR A 4 -44.531 54.184 -44.434 1.00 81.68 O ATOM 48 CB THR A 4 -47.001 54.403 -42.792 1.00 82.45 C ATOM 49 OG1 THR A 4 -48.024 54.971 -42.021 1.00 82.61 O ATOM 50 CG2 THR A 4 -46.620 53.097 -42.084 1.00 81.81 C ATOM 0 H THR A 4 -45.668 56.440 -44.749 1.00 83.46 H new ATOM 0 HA THR A 4 -45.718 55.898 -41.938 1.00 82.00 H new ATOM 0 HB THR A 4 -47.284 54.159 -43.816 1.00 82.45 H new ATOM 0 HG1 THR A 4 -47.842 55.925 -41.887 1.00 82.61 H new ATOM 0 HG21 THR A 4 -47.487 52.437 -42.047 1.00 81.81 H new ATOM 0 HG22 THR A 4 -45.814 52.608 -42.632 1.00 81.81 H new ATOM 0 HG23 THR A 4 -46.288 53.317 -41.069 1.00 81.81 H new ATOM 58 N MET A 5 -43.607 54.663 -42.428 1.00 79.26 N ATOM 59 CA MET A 5 -42.448 53.759 -42.506 1.00 78.03 C ATOM 60 C MET A 5 -41.786 53.564 -41.120 1.00 76.32 C ATOM 61 O MET A 5 -41.197 54.518 -40.597 1.00 75.67 O ATOM 62 CB MET A 5 -41.426 54.256 -43.547 1.00 77.89 C ATOM 63 CG MET A 5 -40.359 53.187 -43.819 1.00 77.21 C ATOM 64 SD MET A 5 -39.241 53.607 -45.180 1.00 77.41 S ATOM 65 CE MET A 5 -38.350 52.036 -45.301 1.00 76.51 C ATOM 0 H MET A 5 -43.599 55.248 -41.593 1.00 79.26 H new ATOM 0 HA MET A 5 -42.812 52.785 -42.834 1.00 78.03 H new ATOM 0 HB2 MET A 5 -41.939 54.508 -44.475 1.00 77.89 H new ATOM 0 HB3 MET A 5 -40.950 55.168 -43.188 1.00 77.89 H new ATOM 0 HG2 MET A 5 -39.773 53.032 -42.913 1.00 77.21 H new ATOM 0 HG3 MET A 5 -40.853 52.242 -44.044 1.00 77.21 H new ATOM 0 HE1 MET A 5 -37.607 52.099 -46.096 1.00 76.51 H new ATOM 0 HE2 MET A 5 -37.851 51.827 -44.355 1.00 76.51 H new ATOM 0 HE3 MET A 5 -39.054 51.235 -45.525 1.00 76.51 H new ATOM 75 N PRO A 6 -41.866 52.360 -40.514 1.00 75.62 N ATOM 76 CA PRO A 6 -41.110 51.987 -39.318 1.00 73.97 C ATOM 77 C PRO A 6 -39.758 51.345 -39.687 1.00 72.72 C ATOM 78 O PRO A 6 -39.600 50.820 -40.790 1.00 73.14 O ATOM 79 CB PRO A 6 -42.017 50.983 -38.603 1.00 74.05 C ATOM 80 CG PRO A 6 -42.665 50.225 -39.764 1.00 75.25 C ATOM 81 CD PRO A 6 -42.797 51.290 -40.858 1.00 76.46 C ATOM 0 HA PRO A 6 -40.865 52.849 -38.697 1.00 73.97 H new ATOM 0 HB2 PRO A 6 -41.450 50.318 -37.952 1.00 74.05 H new ATOM 0 HB3 PRO A 6 -42.760 51.481 -37.980 1.00 74.05 H new ATOM 0 HG2 PRO A 6 -42.048 49.388 -40.091 1.00 75.25 H new ATOM 0 HG3 PRO A 6 -43.635 49.815 -39.484 1.00 75.25 H new ATOM 0 HD2 PRO A 6 -42.561 50.871 -41.836 1.00 76.46 H new ATOM 0 HD3 PRO A 6 -43.818 51.667 -40.910 1.00 76.46 H new ATOM 89 N ALA A 7 -38.806 51.339 -38.746 1.00 71.22 N ATOM 90 CA ALA A 7 -37.488 50.727 -38.916 1.00 69.91 C ATOM 91 C ALA A 7 -36.932 50.152 -37.595 1.00 68.30 C ATOM 92 O ALA A 7 -36.735 50.872 -36.612 1.00 67.91 O ATOM 93 CB ALA A 7 -36.541 51.770 -39.523 1.00 69.80 C ATOM 0 H ALA A 7 -38.935 51.768 -37.830 1.00 71.22 H new ATOM 0 HA ALA A 7 -37.578 49.876 -39.591 1.00 69.91 H new ATOM 0 HB1 ALA A 7 -35.553 51.330 -39.657 1.00 69.80 H new ATOM 0 HB2 ALA A 7 -36.928 52.094 -40.489 1.00 69.80 H new ATOM 0 HB3 ALA A 7 -36.469 52.628 -38.855 1.00 69.80 H new ATOM 99 N HIS A 8 -36.613 48.852 -37.590 1.00 67.37 N ATOM 100 CA HIS A 8 -36.051 48.121 -36.446 1.00 65.80 C ATOM 101 C HIS A 8 -35.269 46.863 -36.896 1.00 64.90 C ATOM 102 O HIS A 8 -35.629 46.248 -37.902 1.00 65.60 O ATOM 103 CB HIS A 8 -37.198 47.712 -35.493 1.00 65.90 C ATOM 104 CG HIS A 8 -37.416 48.567 -34.267 1.00 65.42 C ATOM 105 ND1 HIS A 8 -36.745 49.709 -33.881 1.00 64.89 N ATOM 106 CD2 HIS A 8 -38.281 48.259 -33.253 1.00 65.46 C ATOM 107 CE1 HIS A 8 -37.175 50.049 -32.655 1.00 64.58 C ATOM 108 NE2 HIS A 8 -38.112 49.193 -32.225 1.00 64.89 N ATOM 0 H HIS A 8 -36.743 48.259 -38.410 1.00 67.37 H new ATOM 0 HA HIS A 8 -35.349 48.778 -35.932 1.00 65.80 H new ATOM 0 HB2 HIS A 8 -38.125 47.701 -36.066 1.00 65.90 H new ATOM 0 HB3 HIS A 8 -37.015 46.689 -35.163 1.00 65.90 H new ATOM 0 HD2 HIS A 8 -38.977 47.434 -33.247 1.00 65.46 H new ATOM 0 HE1 HIS A 8 -36.815 50.897 -32.092 1.00 64.58 H new ATOM 0 HE2 HIS A 8 -38.602 49.217 -31.331 1.00 64.89 H new ATOM 116 N THR A 9 -34.245 46.477 -36.112 1.00 63.39 N ATOM 117 CA THR A 9 -33.432 45.250 -36.218 1.00 62.31 C ATOM 118 C THR A 9 -32.369 45.269 -35.103 1.00 60.66 C ATOM 119 O THR A 9 -31.808 46.336 -34.851 1.00 60.45 O ATOM 120 CB THR A 9 -32.823 45.057 -37.621 1.00 62.61 C ATOM 121 OG1 THR A 9 -32.155 43.828 -37.632 1.00 61.82 O ATOM 122 CG2 THR A 9 -31.827 46.133 -38.051 1.00 62.28 C ATOM 0 H THR A 9 -33.942 47.057 -35.330 1.00 63.39 H new ATOM 0 HA THR A 9 -34.077 44.382 -36.080 1.00 62.31 H new ATOM 0 HB THR A 9 -33.654 45.113 -38.324 1.00 62.61 H new ATOM 0 HG1 THR A 9 -31.759 43.679 -38.516 1.00 61.82 H new ATOM 0 HG21 THR A 9 -31.456 45.907 -39.051 1.00 62.28 H new ATOM 0 HG22 THR A 9 -32.321 47.104 -38.058 1.00 62.28 H new ATOM 0 HG23 THR A 9 -30.992 46.156 -37.351 1.00 62.28 H new ATOM 130 N PRO A 10 -32.101 44.158 -34.385 1.00 59.54 N ATOM 131 CA PRO A 10 -31.180 44.139 -33.244 1.00 57.96 C ATOM 132 C PRO A 10 -29.722 43.830 -33.652 1.00 56.90 C ATOM 133 O PRO A 10 -29.505 42.974 -34.511 1.00 57.04 O ATOM 134 CB PRO A 10 -31.727 43.048 -32.316 1.00 57.37 C ATOM 135 CG PRO A 10 -32.336 42.040 -33.291 1.00 58.22 C ATOM 136 CD PRO A 10 -32.869 42.921 -34.420 1.00 59.81 C ATOM 0 HA PRO A 10 -31.135 45.118 -32.768 1.00 57.96 H new ATOM 0 HB2 PRO A 10 -30.938 42.599 -31.712 1.00 57.37 H new ATOM 0 HB3 PRO A 10 -32.472 43.442 -31.625 1.00 57.37 H new ATOM 0 HG2 PRO A 10 -31.592 41.330 -33.652 1.00 58.22 H new ATOM 0 HG3 PRO A 10 -33.131 41.459 -32.824 1.00 58.22 H new ATOM 0 HD2 PRO A 10 -32.758 42.424 -35.384 1.00 59.81 H new ATOM 0 HD3 PRO A 10 -33.932 43.122 -34.285 1.00 59.81 H new ATOM 144 N PRO A 11 -28.709 44.464 -33.018 1.00 55.89 N ATOM 145 CA PRO A 11 -27.298 44.108 -33.162 1.00 54.76 C ATOM 146 C PRO A 11 -26.913 42.986 -32.181 1.00 53.22 C ATOM 147 O PRO A 11 -26.774 43.221 -30.980 1.00 52.53 O ATOM 148 CB PRO A 11 -26.542 45.416 -32.895 1.00 54.54 C ATOM 149 CG PRO A 11 -27.424 46.142 -31.876 1.00 54.73 C ATOM 150 CD PRO A 11 -28.842 45.678 -32.217 1.00 55.91 C ATOM 0 HA PRO A 11 -27.057 43.710 -34.148 1.00 54.76 H new ATOM 0 HB2 PRO A 11 -25.544 45.228 -32.499 1.00 54.54 H new ATOM 0 HB3 PRO A 11 -26.419 46.001 -33.807 1.00 54.54 H new ATOM 0 HG2 PRO A 11 -27.153 45.878 -30.854 1.00 54.73 H new ATOM 0 HG3 PRO A 11 -27.326 47.224 -31.963 1.00 54.73 H new ATOM 0 HD2 PRO A 11 -29.413 45.481 -31.309 1.00 55.91 H new ATOM 0 HD3 PRO A 11 -29.378 46.449 -32.770 1.00 55.91 H new ATOM 158 N ALA A 12 -26.718 41.763 -32.690 1.00 52.72 N ATOM 159 CA ALA A 12 -26.516 40.560 -31.873 1.00 51.36 C ATOM 160 C ALA A 12 -25.046 40.092 -31.843 1.00 49.99 C ATOM 161 O ALA A 12 -24.398 39.977 -32.886 1.00 50.25 O ATOM 162 CB ALA A 12 -27.449 39.463 -32.403 1.00 51.92 C ATOM 0 H ALA A 12 -26.696 41.579 -33.693 1.00 52.72 H new ATOM 0 HA ALA A 12 -26.759 40.794 -30.836 1.00 51.36 H new ATOM 0 HB1 ALA A 12 -27.318 38.557 -31.812 1.00 51.92 H new ATOM 0 HB2 ALA A 12 -28.484 39.798 -32.329 1.00 51.92 H new ATOM 0 HB3 ALA A 12 -27.209 39.254 -33.446 1.00 51.92 H new ATOM 168 N GLN A 13 -24.523 39.767 -30.661 1.00 48.55 N ATOM 169 CA GLN A 13 -23.206 39.146 -30.424 1.00 47.12 C ATOM 170 C GLN A 13 -23.387 37.934 -29.485 1.00 45.77 C ATOM 171 O GLN A 13 -24.375 37.891 -28.752 1.00 45.91 O ATOM 172 CB GLN A 13 -22.238 40.169 -29.781 1.00 46.68 C ATOM 173 CG GLN A 13 -21.345 40.982 -30.747 1.00 47.24 C ATOM 174 CD GLN A 13 -21.951 42.281 -31.292 1.00 48.52 C ATOM 175 OE1 GLN A 13 -21.680 43.387 -30.841 1.00 48.31 O ATOM 176 NE2 GLN A 13 -22.759 42.223 -32.326 1.00 49.97 N ATOM 0 H GLN A 13 -25.029 39.936 -29.792 1.00 48.55 H new ATOM 0 HA GLN A 13 -22.782 38.819 -31.374 1.00 47.12 H new ATOM 0 HB2 GLN A 13 -22.827 40.871 -29.191 1.00 46.68 H new ATOM 0 HB3 GLN A 13 -21.590 39.634 -29.087 1.00 46.68 H new ATOM 0 HG2 GLN A 13 -20.416 41.226 -30.232 1.00 47.24 H new ATOM 0 HG3 GLN A 13 -21.083 40.344 -31.591 1.00 47.24 H new ATOM 0 HE21 GLN A 13 -23.008 41.320 -32.729 1.00 49.97 H new ATOM 0 HE22 GLN A 13 -23.138 43.081 -32.726 1.00 49.97 H new ATOM 185 N THR A 14 -22.440 36.970 -29.499 1.00 44.54 N ATOM 186 CA THR A 14 -22.449 35.708 -28.718 1.00 43.17 C ATOM 187 C THR A 14 -21.165 34.881 -28.926 1.00 41.81 C ATOM 188 O THR A 14 -21.173 33.860 -29.614 1.00 42.06 O ATOM 189 CB THR A 14 -23.753 34.902 -28.917 1.00 43.80 C ATOM 190 OG1 THR A 14 -23.594 33.658 -28.282 1.00 43.17 O ATOM 191 CG2 THR A 14 -24.146 34.632 -30.373 1.00 44.44 C ATOM 0 H THR A 14 -21.607 37.052 -30.083 1.00 44.54 H new ATOM 0 HA THR A 14 -22.443 35.985 -27.664 1.00 43.17 H new ATOM 0 HB THR A 14 -24.549 35.516 -28.496 1.00 43.80 H new ATOM 0 HG1 THR A 14 -24.410 33.127 -28.393 1.00 43.17 H new ATOM 0 HG21 THR A 14 -25.074 34.061 -30.399 1.00 44.44 H new ATOM 0 HG22 THR A 14 -24.288 35.579 -30.893 1.00 44.44 H new ATOM 0 HG23 THR A 14 -23.356 34.064 -30.864 1.00 44.44 H new ATOM 199 N ALA A 15 -20.059 35.284 -28.291 1.00 40.41 N ATOM 200 CA ALA A 15 -18.776 34.566 -28.373 1.00 39.05 C ATOM 201 C ALA A 15 -18.726 33.348 -27.406 1.00 37.57 C ATOM 202 O ALA A 15 -19.173 33.492 -26.269 1.00 37.10 O ATOM 203 CB ALA A 15 -17.633 35.555 -28.094 1.00 38.60 C ATOM 0 H ALA A 15 -20.025 36.118 -27.704 1.00 40.41 H new ATOM 0 HA ALA A 15 -18.664 34.158 -29.378 1.00 39.05 H new ATOM 0 HB1 ALA A 15 -16.678 35.033 -28.152 1.00 38.60 H new ATOM 0 HB2 ALA A 15 -17.655 36.355 -28.834 1.00 38.60 H new ATOM 0 HB3 ALA A 15 -17.754 35.979 -27.097 1.00 38.60 H new ATOM 209 N PRO A 16 -18.178 32.179 -27.817 1.00 36.93 N ATOM 210 CA PRO A 16 -18.157 30.941 -27.028 1.00 35.61 C ATOM 211 C PRO A 16 -16.944 30.817 -26.086 1.00 33.79 C ATOM 212 O PRO A 16 -15.844 31.279 -26.392 1.00 33.63 O ATOM 213 CB PRO A 16 -18.138 29.818 -28.072 1.00 36.04 C ATOM 214 CG PRO A 16 -17.301 30.428 -29.194 1.00 36.73 C ATOM 215 CD PRO A 16 -17.727 31.896 -29.174 1.00 37.69 C ATOM 0 HA PRO A 16 -19.019 30.908 -26.362 1.00 35.61 H new ATOM 0 HB2 PRO A 16 -17.688 28.906 -27.680 1.00 36.04 H new ATOM 0 HB3 PRO A 16 -19.142 29.559 -28.409 1.00 36.04 H new ATOM 0 HG2 PRO A 16 -16.233 30.314 -29.010 1.00 36.73 H new ATOM 0 HG3 PRO A 16 -17.510 29.959 -30.156 1.00 36.73 H new ATOM 0 HD2 PRO A 16 -16.896 32.545 -29.449 1.00 37.69 H new ATOM 0 HD3 PRO A 16 -18.525 32.078 -29.894 1.00 37.69 H new ATOM 223 N ALA A 17 -17.136 30.107 -24.967 1.00 32.47 N ATOM 224 CA ALA A 17 -16.149 29.940 -23.891 1.00 30.65 C ATOM 225 C ALA A 17 -16.276 28.561 -23.189 1.00 29.29 C ATOM 226 O ALA A 17 -16.736 27.593 -23.802 1.00 29.81 O ATOM 227 CB ALA A 17 -16.301 31.142 -22.942 1.00 30.42 C ATOM 0 H ALA A 17 -18.011 29.617 -24.779 1.00 32.47 H new ATOM 0 HA ALA A 17 -15.135 29.932 -24.291 1.00 30.65 H new ATOM 0 HB1 ALA A 17 -15.583 31.055 -22.127 1.00 30.42 H new ATOM 0 HB2 ALA A 17 -16.116 32.065 -23.491 1.00 30.42 H new ATOM 0 HB3 ALA A 17 -17.312 31.159 -22.535 1.00 30.42 H new ATOM 233 N ALA A 18 -15.865 28.464 -21.915 1.00 27.64 N ATOM 234 CA ALA A 18 -15.877 27.255 -21.078 1.00 26.21 C ATOM 235 C ALA A 18 -16.042 27.598 -19.577 1.00 24.61 C ATOM 236 O ALA A 18 -16.063 28.776 -19.211 1.00 24.67 O ATOM 237 CB ALA A 18 -14.587 26.455 -21.346 1.00 25.98 C ATOM 0 H ALA A 18 -15.495 29.272 -21.414 1.00 27.64 H new ATOM 0 HA ALA A 18 -16.739 26.643 -21.342 1.00 26.21 H new ATOM 0 HB1 ALA A 18 -14.583 25.555 -20.731 1.00 25.98 H new ATOM 0 HB2 ALA A 18 -14.544 26.176 -22.399 1.00 25.98 H new ATOM 0 HB3 ALA A 18 -13.721 27.068 -21.098 1.00 25.98 H new ATOM 243 N GLN A 19 -16.154 26.564 -18.734 1.00 23.34 N ATOM 244 CA GLN A 19 -16.464 26.565 -17.294 1.00 21.91 C ATOM 245 C GLN A 19 -16.622 25.089 -16.860 1.00 20.84 C ATOM 246 O GLN A 19 -16.506 24.184 -17.688 1.00 21.26 O ATOM 247 CB GLN A 19 -17.720 27.431 -16.976 1.00 22.39 C ATOM 248 CG GLN A 19 -17.425 28.681 -16.123 1.00 22.15 C ATOM 249 CD GLN A 19 -17.321 28.399 -14.624 1.00 21.47 C ATOM 250 OE1 GLN A 19 -17.095 27.284 -14.189 1.00 21.07 O ATOM 251 NE2 GLN A 19 -17.536 29.386 -13.784 1.00 21.57 N ATOM 0 H GLN A 19 -16.017 25.612 -19.074 1.00 23.34 H new ATOM 0 HA GLN A 19 -15.658 27.027 -16.724 1.00 21.91 H new ATOM 0 HB2 GLN A 19 -18.178 27.745 -17.914 1.00 22.39 H new ATOM 0 HB3 GLN A 19 -18.451 26.813 -16.455 1.00 22.39 H new ATOM 0 HG2 GLN A 19 -16.492 29.129 -16.464 1.00 22.15 H new ATOM 0 HG3 GLN A 19 -18.212 29.417 -16.290 1.00 22.15 H new ATOM 0 HE21 GLN A 19 -17.726 30.324 -14.137 1.00 21.57 H new ATOM 0 HE22 GLN A 19 -17.513 29.214 -12.779 1.00 21.57 H new ATOM 260 N LYS A 20 -16.911 24.835 -15.582 1.00 19.64 N ATOM 261 CA LYS A 20 -17.172 23.504 -15.014 1.00 18.68 C ATOM 262 C LYS A 20 -18.471 23.460 -14.175 1.00 18.14 C ATOM 263 O LYS A 20 -19.187 24.456 -14.068 1.00 18.49 O ATOM 264 CB LYS A 20 -15.903 23.002 -14.283 1.00 17.78 C ATOM 265 CG LYS A 20 -15.381 23.928 -13.165 1.00 17.12 C ATOM 266 CD LYS A 20 -14.131 23.351 -12.474 1.00 16.90 C ATOM 267 CE LYS A 20 -12.889 23.273 -13.382 1.00 17.63 C ATOM 268 NZ LYS A 20 -12.143 24.551 -13.430 1.00 17.96 N ATOM 0 H LYS A 20 -16.973 25.577 -14.885 1.00 19.64 H new ATOM 0 HA LYS A 20 -17.374 22.797 -15.818 1.00 18.68 H new ATOM 0 HB2 LYS A 20 -16.114 22.023 -13.853 1.00 17.78 H new ATOM 0 HB3 LYS A 20 -15.110 22.863 -15.018 1.00 17.78 H new ATOM 0 HG2 LYS A 20 -15.144 24.906 -13.585 1.00 17.12 H new ATOM 0 HG3 LYS A 20 -16.166 24.081 -12.425 1.00 17.12 H new ATOM 0 HD2 LYS A 20 -13.894 23.964 -11.605 1.00 16.90 H new ATOM 0 HD3 LYS A 20 -14.362 22.351 -12.106 1.00 16.90 H new ATOM 0 HE2 LYS A 20 -12.229 22.484 -13.023 1.00 17.63 H new ATOM 0 HE3 LYS A 20 -13.197 22.997 -14.391 1.00 17.63 H new ATOM 0 HZ1 LYS A 20 -11.317 24.448 -14.053 1.00 17.96 H new ATOM 0 HZ2 LYS A 20 -12.763 25.301 -13.798 1.00 17.96 H new ATOM 0 HZ3 LYS A 20 -11.825 24.803 -12.473 1.00 17.96 H new ATOM 282 N ALA A 21 -18.830 22.286 -13.636 1.00 17.57 N ATOM 283 CA ALA A 21 -20.148 22.045 -13.019 1.00 17.35 C ATOM 284 C ALA A 21 -20.122 21.111 -11.790 1.00 15.95 C ATOM 285 O ALA A 21 -20.299 21.597 -10.676 1.00 15.46 O ATOM 286 CB ALA A 21 -21.099 21.547 -14.122 1.00 18.84 C ATOM 0 H ALA A 21 -18.215 21.473 -13.614 1.00 17.57 H new ATOM 0 HA ALA A 21 -20.508 22.986 -12.602 1.00 17.35 H new ATOM 0 HB1 ALA A 21 -22.084 21.360 -13.695 1.00 18.84 H new ATOM 0 HB2 ALA A 21 -21.179 22.304 -14.902 1.00 18.84 H new ATOM 0 HB3 ALA A 21 -20.708 20.624 -14.551 1.00 18.84 H new ATOM 292 N GLY A 22 -19.936 19.801 -11.987 1.00 15.49 N ATOM 293 CA GLY A 22 -20.056 18.806 -10.916 1.00 14.40 C ATOM 294 C GLY A 22 -18.892 18.883 -9.929 1.00 12.39 C ATOM 295 O GLY A 22 -17.727 18.864 -10.324 1.00 11.96 O ATOM 0 H GLY A 22 -19.698 19.401 -12.894 1.00 15.49 H new ATOM 0 HA2 GLY A 22 -20.994 18.959 -10.383 1.00 14.40 H new ATOM 0 HA3 GLY A 22 -20.096 17.808 -11.352 1.00 14.40 H new ATOM 299 N ALA A 23 -19.211 18.920 -8.632 1.00 11.46 N ATOM 300 CA ALA A 23 -18.241 19.058 -7.546 1.00 9.80 C ATOM 301 C ALA A 23 -18.568 18.116 -6.368 1.00 9.16 C ATOM 302 O ALA A 23 -19.511 18.355 -5.613 1.00 9.88 O ATOM 303 CB ALA A 23 -18.217 20.534 -7.110 1.00 10.02 C ATOM 0 H ALA A 23 -20.174 18.853 -8.302 1.00 11.46 H new ATOM 0 HA ALA A 23 -17.251 18.765 -7.896 1.00 9.80 H new ATOM 0 HB1 ALA A 23 -17.500 20.662 -6.299 1.00 10.02 H new ATOM 0 HB2 ALA A 23 -17.926 21.158 -7.955 1.00 10.02 H new ATOM 0 HB3 ALA A 23 -19.209 20.828 -6.767 1.00 10.02 H new ATOM 309 N GLN A 24 -17.773 17.044 -6.241 1.00 8.26 N ATOM 310 CA GLN A 24 -17.817 16.056 -5.155 1.00 7.92 C ATOM 311 C GLN A 24 -19.150 15.293 -5.112 1.00 8.12 C ATOM 312 O GLN A 24 -19.972 15.482 -4.221 1.00 9.08 O ATOM 313 CB GLN A 24 -17.413 16.705 -3.817 1.00 8.17 C ATOM 314 CG GLN A 24 -17.139 15.657 -2.720 1.00 9.21 C ATOM 315 CD GLN A 24 -16.607 16.304 -1.444 1.00 10.21 C ATOM 316 OE1 GLN A 24 -17.006 17.399 -1.056 1.00 10.68 O ATOM 317 NE2 GLN A 24 -15.664 15.681 -0.773 1.00 11.04 N ATOM 0 H GLN A 24 -17.047 16.833 -6.926 1.00 8.26 H new ATOM 0 HA GLN A 24 -17.074 15.285 -5.358 1.00 7.92 H new ATOM 0 HB2 GLN A 24 -16.522 17.314 -3.965 1.00 8.17 H new ATOM 0 HB3 GLN A 24 -18.206 17.376 -3.486 1.00 8.17 H new ATOM 0 HG2 GLN A 24 -18.058 15.114 -2.497 1.00 9.21 H new ATOM 0 HG3 GLN A 24 -16.418 14.926 -3.086 1.00 9.21 H new ATOM 0 HE21 GLN A 24 -15.328 14.771 -1.090 1.00 11.04 H new ATOM 0 HE22 GLN A 24 -15.268 16.107 0.065 1.00 11.04 H new ATOM 326 N ALA A 25 -19.360 14.421 -6.100 1.00 7.57 N ATOM 327 CA ALA A 25 -20.601 13.658 -6.272 1.00 7.83 C ATOM 328 C ALA A 25 -20.339 12.392 -7.109 1.00 7.29 C ATOM 329 O ALA A 25 -20.877 12.222 -8.199 1.00 7.85 O ATOM 330 CB ALA A 25 -21.673 14.583 -6.876 1.00 8.72 C ATOM 0 H ALA A 25 -18.662 14.221 -6.816 1.00 7.57 H new ATOM 0 HA ALA A 25 -20.976 13.307 -5.311 1.00 7.83 H new ATOM 0 HB1 ALA A 25 -22.601 14.027 -7.009 1.00 8.72 H new ATOM 0 HB2 ALA A 25 -21.847 15.424 -6.205 1.00 8.72 H new ATOM 0 HB3 ALA A 25 -21.331 14.954 -7.842 1.00 8.72 H new ATOM 336 N LEU A 26 -19.419 11.534 -6.644 1.00 6.40 N ATOM 337 CA LEU A 26 -18.937 10.356 -7.386 1.00 5.87 C ATOM 338 C LEU A 26 -19.167 9.059 -6.574 1.00 5.59 C ATOM 339 O LEU A 26 -18.681 8.968 -5.442 1.00 5.24 O ATOM 340 CB LEU A 26 -17.440 10.536 -7.729 1.00 5.32 C ATOM 341 CG LEU A 26 -17.134 11.692 -8.709 1.00 5.95 C ATOM 342 CD1 LEU A 26 -15.617 11.850 -8.854 1.00 5.92 C ATOM 343 CD2 LEU A 26 -17.757 11.459 -10.094 1.00 7.13 C ATOM 0 H LEU A 26 -18.982 11.639 -5.729 1.00 6.40 H new ATOM 0 HA LEU A 26 -19.503 10.267 -8.313 1.00 5.87 H new ATOM 0 HB2 LEU A 26 -16.888 10.706 -6.805 1.00 5.32 H new ATOM 0 HB3 LEU A 26 -17.066 9.606 -8.157 1.00 5.32 H new ATOM 0 HG LEU A 26 -17.575 12.599 -8.296 1.00 5.95 H new ATOM 0 HD11 LEU A 26 -15.400 12.665 -9.545 1.00 5.92 H new ATOM 0 HD12 LEU A 26 -15.180 12.073 -7.881 1.00 5.92 H new ATOM 0 HD13 LEU A 26 -15.190 10.924 -9.240 1.00 5.92 H new ATOM 0 HD21 LEU A 26 -17.515 12.297 -10.748 1.00 7.13 H new ATOM 0 HD22 LEU A 26 -17.359 10.539 -10.522 1.00 7.13 H new ATOM 0 HD23 LEU A 26 -18.839 11.376 -9.997 1.00 7.13 H new ATOM 355 N PRO A 27 -19.845 8.026 -7.128 1.00 6.08 N ATOM 356 CA PRO A 27 -20.264 6.835 -6.384 1.00 6.21 C ATOM 357 C PRO A 27 -19.123 5.811 -6.223 1.00 5.35 C ATOM 358 O PRO A 27 -19.295 4.633 -6.519 1.00 5.66 O ATOM 359 CB PRO A 27 -21.465 6.302 -7.177 1.00 7.40 C ATOM 360 CG PRO A 27 -21.075 6.616 -8.618 1.00 7.59 C ATOM 361 CD PRO A 27 -20.393 7.978 -8.482 1.00 6.96 C ATOM 0 HA PRO A 27 -20.537 7.058 -5.353 1.00 6.21 H new ATOM 0 HB2 PRO A 27 -21.613 5.233 -7.020 1.00 7.40 H new ATOM 0 HB3 PRO A 27 -22.393 6.798 -6.890 1.00 7.40 H new ATOM 0 HG2 PRO A 27 -20.402 5.864 -9.030 1.00 7.59 H new ATOM 0 HG3 PRO A 27 -21.944 6.660 -9.274 1.00 7.59 H new ATOM 0 HD2 PRO A 27 -19.604 8.094 -9.225 1.00 6.96 H new ATOM 0 HD3 PRO A 27 -21.105 8.788 -8.643 1.00 6.96 H new ATOM 369 N VAL A 28 -17.945 6.259 -5.777 1.00 4.49 N ATOM 370 CA VAL A 28 -16.707 5.468 -5.679 1.00 3.67 C ATOM 371 C VAL A 28 -16.142 5.612 -4.271 1.00 3.55 C ATOM 372 O VAL A 28 -16.155 6.709 -3.722 1.00 4.02 O ATOM 373 CB VAL A 28 -15.690 5.928 -6.754 1.00 3.30 C ATOM 374 CG1 VAL A 28 -14.225 5.535 -6.478 1.00 3.62 C ATOM 375 CG2 VAL A 28 -16.113 5.345 -8.115 1.00 3.88 C ATOM 0 H VAL A 28 -17.819 7.221 -5.461 1.00 4.49 H new ATOM 0 HA VAL A 28 -16.918 4.415 -5.865 1.00 3.67 H new ATOM 0 HB VAL A 28 -15.713 7.018 -6.741 1.00 3.30 H new ATOM 0 HG11 VAL A 28 -13.592 5.901 -7.286 1.00 3.62 H new ATOM 0 HG12 VAL A 28 -13.902 5.976 -5.535 1.00 3.62 H new ATOM 0 HG13 VAL A 28 -14.145 4.450 -6.418 1.00 3.62 H new ATOM 0 HG21 VAL A 28 -15.406 5.661 -8.882 1.00 3.88 H new ATOM 0 HG22 VAL A 28 -16.123 4.257 -8.057 1.00 3.88 H new ATOM 0 HG23 VAL A 28 -17.110 5.704 -8.371 1.00 3.88 H new ATOM 385 N THR A 29 -15.671 4.499 -3.694 1.00 3.20 N ATOM 386 CA THR A 29 -15.002 4.465 -2.382 1.00 3.09 C ATOM 387 C THR A 29 -13.533 4.114 -2.613 1.00 2.50 C ATOM 388 O THR A 29 -13.214 3.345 -3.514 1.00 2.67 O ATOM 389 CB THR A 29 -15.700 3.495 -1.413 1.00 3.69 C ATOM 390 OG1 THR A 29 -17.077 3.770 -1.424 1.00 4.32 O ATOM 391 CG2 THR A 29 -15.220 3.657 0.028 1.00 4.17 C ATOM 0 H THR A 29 -15.744 3.580 -4.131 1.00 3.20 H new ATOM 0 HA THR A 29 -15.065 5.441 -1.901 1.00 3.09 H new ATOM 0 HB THR A 29 -15.469 2.483 -1.745 1.00 3.69 H new ATOM 0 HG1 THR A 29 -17.538 3.159 -0.812 1.00 4.32 H new ATOM 0 HG21 THR A 29 -15.745 2.948 0.668 1.00 4.17 H new ATOM 0 HG22 THR A 29 -14.148 3.466 0.078 1.00 4.17 H new ATOM 0 HG23 THR A 29 -15.424 4.673 0.367 1.00 4.17 H new ATOM 399 N VAL A 30 -12.630 4.690 -1.824 1.00 2.42 N ATOM 400 CA VAL A 30 -11.181 4.767 -2.088 1.00 2.43 C ATOM 401 C VAL A 30 -10.382 4.354 -0.852 1.00 1.92 C ATOM 402 O VAL A 30 -10.895 4.459 0.265 1.00 2.32 O ATOM 403 CB VAL A 30 -10.748 6.198 -2.506 1.00 3.65 C ATOM 404 CG1 VAL A 30 -11.486 6.658 -3.776 1.00 5.10 C ATOM 405 CG2 VAL A 30 -10.962 7.254 -1.402 1.00 4.41 C ATOM 0 H VAL A 30 -12.890 5.137 -0.945 1.00 2.42 H new ATOM 0 HA VAL A 30 -10.974 4.081 -2.910 1.00 2.43 H new ATOM 0 HB VAL A 30 -9.677 6.124 -2.697 1.00 3.65 H new ATOM 0 HG11 VAL A 30 -11.160 7.664 -4.042 1.00 5.10 H new ATOM 0 HG12 VAL A 30 -11.261 5.975 -4.595 1.00 5.10 H new ATOM 0 HG13 VAL A 30 -12.560 6.662 -3.591 1.00 5.10 H new ATOM 0 HG21 VAL A 30 -10.638 8.230 -1.764 1.00 4.41 H new ATOM 0 HG22 VAL A 30 -12.019 7.297 -1.140 1.00 4.41 H new ATOM 0 HG23 VAL A 30 -10.381 6.982 -0.521 1.00 4.41 H new ATOM 415 N GLN A 31 -9.134 3.912 -1.036 1.00 1.68 N ATOM 416 CA GLN A 31 -8.259 3.651 0.098 1.00 1.75 C ATOM 417 C GLN A 31 -7.783 4.936 0.789 1.00 2.26 C ATOM 418 O GLN A 31 -7.432 5.910 0.123 1.00 3.79 O ATOM 419 CB GLN A 31 -7.070 2.759 -0.303 1.00 1.95 C ATOM 420 CG GLN A 31 -5.973 3.364 -1.198 1.00 2.05 C ATOM 421 CD GLN A 31 -6.323 3.390 -2.682 1.00 2.40 C ATOM 422 OE1 GLN A 31 -5.835 2.431 -3.442 1.00 3.74 O flip ATOM 423 NE2 GLN A 31 -7.021 4.262 -3.178 1.00 2.08 N flip ATOM 0 H GLN A 31 -8.716 3.731 -1.949 1.00 1.68 H new ATOM 0 HA GLN A 31 -8.857 3.108 0.830 1.00 1.75 H new ATOM 0 HB2 GLN A 31 -6.595 2.406 0.613 1.00 1.95 H new ATOM 0 HB3 GLN A 31 -7.469 1.882 -0.813 1.00 1.95 H new ATOM 0 HG2 GLN A 31 -5.769 4.382 -0.866 1.00 2.05 H new ATOM 0 HG3 GLN A 31 -5.054 2.794 -1.063 1.00 2.05 H new ATOM 0 HE21 GLN A 31 -7.401 5.006 -2.593 1.00 2.08 H new ATOM 0 HE22 GLN A 31 -7.224 4.246 -4.177 1.00 2.08 H new ATOM 432 N GLY A 32 -7.677 4.902 2.121 1.00 1.63 N ATOM 433 CA GLY A 32 -6.932 5.899 2.902 1.00 2.01 C ATOM 434 C GLY A 32 -5.507 5.477 3.245 1.00 1.89 C ATOM 435 O GLY A 32 -4.767 6.206 3.888 1.00 2.62 O ATOM 0 H GLY A 32 -8.109 4.177 2.694 1.00 1.63 H new ATOM 0 HA2 GLY A 32 -6.899 6.834 2.342 1.00 2.01 H new ATOM 0 HA3 GLY A 32 -7.473 6.100 3.826 1.00 2.01 H new ATOM 439 N ALA A 33 -5.144 4.260 2.815 1.00 1.27 N ATOM 440 CA ALA A 33 -3.971 3.445 3.189 1.00 1.10 C ATOM 441 C ALA A 33 -4.018 3.028 4.681 1.00 1.06 C ATOM 442 O ALA A 33 -4.438 3.797 5.556 1.00 1.52 O ATOM 443 CB ALA A 33 -2.660 4.139 2.788 1.00 1.36 C ATOM 0 H ALA A 33 -5.719 3.771 2.129 1.00 1.27 H new ATOM 0 HA ALA A 33 -4.007 2.515 2.621 1.00 1.10 H new ATOM 0 HB1 ALA A 33 -1.815 3.514 3.077 1.00 1.36 H new ATOM 0 HB2 ALA A 33 -2.645 4.294 1.709 1.00 1.36 H new ATOM 0 HB3 ALA A 33 -2.589 5.102 3.293 1.00 1.36 H new ATOM 449 N THR A 34 -3.622 1.777 4.972 1.00 1.05 N ATOM 450 CA THR A 34 -3.685 1.205 6.323 1.00 1.04 C ATOM 451 C THR A 34 -2.422 0.400 6.585 1.00 1.02 C ATOM 452 O THR A 34 -1.972 -0.333 5.706 1.00 1.24 O ATOM 453 CB THR A 34 -4.939 0.350 6.509 1.00 1.14 C ATOM 454 OG1 THR A 34 -6.065 1.100 6.109 1.00 1.63 O ATOM 455 CG2 THR A 34 -5.146 -0.056 7.960 1.00 1.41 C ATOM 0 H THR A 34 -3.249 1.134 4.273 1.00 1.05 H new ATOM 0 HA THR A 34 -3.747 2.016 7.049 1.00 1.04 H new ATOM 0 HB THR A 34 -4.814 -0.551 5.909 1.00 1.14 H new ATOM 0 HG1 THR A 34 -6.875 0.560 6.223 1.00 1.63 H new ATOM 0 HG21 THR A 34 -6.048 -0.662 8.043 1.00 1.41 H new ATOM 0 HG22 THR A 34 -4.288 -0.635 8.302 1.00 1.41 H new ATOM 0 HG23 THR A 34 -5.250 0.837 8.576 1.00 1.41 H new ATOM 463 N VAL A 35 -1.896 0.523 7.799 1.00 0.82 N ATOM 464 CA VAL A 35 -0.786 -0.291 8.324 1.00 0.74 C ATOM 465 C VAL A 35 -1.281 -1.205 9.453 1.00 0.85 C ATOM 466 O VAL A 35 -2.206 -0.849 10.187 1.00 0.99 O ATOM 467 CB VAL A 35 0.342 0.605 8.880 1.00 0.78 C ATOM 468 CG1 VAL A 35 1.629 -0.161 9.246 1.00 0.86 C ATOM 469 CG2 VAL A 35 0.746 1.706 7.876 1.00 0.99 C ATOM 0 H VAL A 35 -2.235 1.211 8.472 1.00 0.82 H new ATOM 0 HA VAL A 35 -0.401 -0.890 7.499 1.00 0.74 H new ATOM 0 HB VAL A 35 -0.087 1.032 9.787 1.00 0.78 H new ATOM 0 HG11 VAL A 35 2.372 0.538 9.629 1.00 0.86 H new ATOM 0 HG12 VAL A 35 1.404 -0.906 10.010 1.00 0.86 H new ATOM 0 HG13 VAL A 35 2.021 -0.658 8.359 1.00 0.86 H new ATOM 0 HG21 VAL A 35 1.542 2.315 8.305 1.00 0.99 H new ATOM 0 HG22 VAL A 35 1.098 1.245 6.953 1.00 0.99 H new ATOM 0 HG23 VAL A 35 -0.117 2.336 7.660 1.00 0.99 H new ATOM 479 N ALA A 36 -0.640 -2.357 9.642 1.00 0.90 N ATOM 480 CA ALA A 36 -0.799 -3.205 10.817 1.00 1.18 C ATOM 481 C ALA A 36 -0.280 -2.538 12.108 1.00 1.41 C ATOM 482 O ALA A 36 0.918 -2.536 12.389 1.00 1.96 O ATOM 483 CB ALA A 36 -0.083 -4.539 10.567 1.00 1.45 C ATOM 0 H ALA A 36 0.021 -2.734 8.963 1.00 0.90 H new ATOM 0 HA ALA A 36 -1.865 -3.374 10.972 1.00 1.18 H new ATOM 0 HB1 ALA A 36 -0.196 -5.182 11.440 1.00 1.45 H new ATOM 0 HB2 ALA A 36 -0.520 -5.029 9.697 1.00 1.45 H new ATOM 0 HB3 ALA A 36 0.976 -4.355 10.386 1.00 1.45 H new ATOM 489 N ALA A 37 -1.206 -2.027 12.920 1.00 1.30 N ATOM 490 CA ALA A 37 -0.969 -1.818 14.352 1.00 1.42 C ATOM 491 C ALA A 37 -0.480 -3.113 15.017 1.00 1.50 C ATOM 492 O ALA A 37 -1.014 -4.184 14.734 1.00 1.66 O ATOM 493 CB ALA A 37 -2.237 -1.322 15.050 1.00 1.69 C ATOM 0 H ALA A 37 -2.136 -1.747 12.608 1.00 1.30 H new ATOM 0 HA ALA A 37 -0.196 -1.056 14.452 1.00 1.42 H new ATOM 0 HB1 ALA A 37 -2.035 -1.175 16.111 1.00 1.69 H new ATOM 0 HB2 ALA A 37 -2.551 -0.377 14.606 1.00 1.69 H new ATOM 0 HB3 ALA A 37 -3.030 -2.060 14.931 1.00 1.69 H new ATOM 499 N VAL A 38 0.500 -3.006 15.913 1.00 1.51 N ATOM 500 CA VAL A 38 1.328 -4.140 16.381 1.00 1.49 C ATOM 501 C VAL A 38 1.936 -3.808 17.769 1.00 1.50 C ATOM 502 O VAL A 38 2.093 -2.621 18.069 1.00 1.62 O ATOM 503 CB VAL A 38 2.402 -4.472 15.296 1.00 1.49 C ATOM 504 CG1 VAL A 38 3.851 -4.639 15.793 1.00 2.40 C ATOM 505 CG2 VAL A 38 2.015 -5.712 14.473 1.00 2.44 C ATOM 0 H VAL A 38 0.753 -2.118 16.347 1.00 1.51 H new ATOM 0 HA VAL A 38 0.722 -5.036 16.516 1.00 1.49 H new ATOM 0 HB VAL A 38 2.400 -3.573 14.679 1.00 1.49 H new ATOM 0 HG11 VAL A 38 4.501 -4.867 14.948 1.00 2.40 H new ATOM 0 HG12 VAL A 38 4.182 -3.715 16.267 1.00 2.40 H new ATOM 0 HG13 VAL A 38 3.896 -5.454 16.516 1.00 2.40 H new ATOM 0 HG21 VAL A 38 2.787 -5.910 13.729 1.00 2.44 H new ATOM 0 HG22 VAL A 38 1.919 -6.573 15.135 1.00 2.44 H new ATOM 0 HG23 VAL A 38 1.064 -5.533 13.971 1.00 2.44 H new ATOM 515 N PRO A 39 2.246 -4.809 18.628 1.00 1.50 N ATOM 516 CA PRO A 39 2.742 -4.601 19.995 1.00 1.65 C ATOM 517 C PRO A 39 4.178 -4.027 20.080 1.00 1.75 C ATOM 518 O PRO A 39 4.913 -4.065 19.096 1.00 1.74 O ATOM 519 CB PRO A 39 2.638 -5.976 20.673 1.00 1.67 C ATOM 520 CG PRO A 39 2.706 -6.967 19.515 1.00 1.56 C ATOM 521 CD PRO A 39 1.971 -6.223 18.407 1.00 1.50 C ATOM 0 HA PRO A 39 2.144 -3.838 20.493 1.00 1.65 H new ATOM 0 HB2 PRO A 39 3.451 -6.134 21.381 1.00 1.67 H new ATOM 0 HB3 PRO A 39 1.706 -6.077 21.230 1.00 1.67 H new ATOM 0 HG2 PRO A 39 3.734 -7.198 19.237 1.00 1.56 H new ATOM 0 HG3 PRO A 39 2.222 -7.913 19.760 1.00 1.56 H new ATOM 0 HD2 PRO A 39 2.320 -6.540 17.424 1.00 1.50 H new ATOM 0 HD3 PRO A 39 0.900 -6.424 18.445 1.00 1.50 H new ATOM 529 N PRO A 40 4.599 -3.497 21.252 1.00 1.99 N ATOM 530 CA PRO A 40 5.942 -2.948 21.468 1.00 2.18 C ATOM 531 C PRO A 40 7.026 -4.036 21.525 1.00 2.22 C ATOM 532 O PRO A 40 6.731 -5.209 21.740 1.00 3.14 O ATOM 533 CB PRO A 40 5.854 -2.141 22.767 1.00 2.48 C ATOM 534 CG PRO A 40 4.759 -2.858 23.549 1.00 2.49 C ATOM 535 CD PRO A 40 3.795 -3.317 22.455 1.00 2.22 C ATOM 0 HA PRO A 40 6.245 -2.318 20.632 1.00 2.18 H new ATOM 0 HB2 PRO A 40 6.801 -2.142 23.307 1.00 2.48 H new ATOM 0 HB3 PRO A 40 5.597 -1.099 22.577 1.00 2.48 H new ATOM 0 HG2 PRO A 40 5.155 -3.700 24.117 1.00 2.49 H new ATOM 0 HG3 PRO A 40 4.272 -2.193 24.262 1.00 2.49 H new ATOM 0 HD2 PRO A 40 3.302 -4.248 22.736 1.00 2.22 H new ATOM 0 HD3 PRO A 40 3.011 -2.578 22.292 1.00 2.22 H new ATOM 543 N SER A 41 8.280 -3.619 21.282 1.00 2.18 N ATOM 544 CA SER A 41 9.495 -4.444 21.052 1.00 2.33 C ATOM 545 C SER A 41 9.601 -4.898 19.581 1.00 2.25 C ATOM 546 O SER A 41 10.695 -5.157 19.076 1.00 2.55 O ATOM 547 CB SER A 41 9.578 -5.661 21.987 1.00 2.47 C ATOM 548 OG SER A 41 10.913 -6.112 22.113 1.00 2.85 O ATOM 0 H SER A 41 8.495 -2.623 21.236 1.00 2.18 H new ATOM 0 HA SER A 41 10.341 -3.797 21.284 1.00 2.33 H new ATOM 0 HB2 SER A 41 9.185 -5.397 22.969 1.00 2.47 H new ATOM 0 HB3 SER A 41 8.953 -6.466 21.599 1.00 2.47 H new ATOM 0 HG SER A 41 10.942 -6.886 22.714 1.00 2.85 H new ATOM 554 N ILE A 42 8.473 -4.938 18.868 1.00 2.02 N ATOM 555 CA ILE A 42 8.413 -5.343 17.465 1.00 1.94 C ATOM 556 C ILE A 42 8.773 -4.151 16.569 1.00 1.83 C ATOM 557 O ILE A 42 8.173 -3.079 16.665 1.00 2.03 O ATOM 558 CB ILE A 42 7.023 -5.934 17.130 1.00 2.01 C ATOM 559 CG1 ILE A 42 6.573 -7.063 18.089 1.00 2.31 C ATOM 560 CG2 ILE A 42 6.989 -6.424 15.671 1.00 1.92 C ATOM 561 CD1 ILE A 42 7.541 -8.249 18.211 1.00 2.59 C ATOM 0 H ILE A 42 7.564 -4.686 19.256 1.00 2.02 H new ATOM 0 HA ILE A 42 9.143 -6.131 17.278 1.00 1.94 H new ATOM 0 HB ILE A 42 6.309 -5.122 17.266 1.00 2.01 H new ATOM 0 HG12 ILE A 42 6.422 -6.636 19.080 1.00 2.31 H new ATOM 0 HG13 ILE A 42 5.606 -7.438 17.753 1.00 2.31 H new ATOM 0 HG21 ILE A 42 6.005 -6.837 15.449 1.00 1.92 H new ATOM 0 HG22 ILE A 42 7.191 -5.588 15.002 1.00 1.92 H new ATOM 0 HG23 ILE A 42 7.747 -7.194 15.528 1.00 1.92 H new ATOM 0 HD11 ILE A 42 7.132 -8.983 18.906 1.00 2.59 H new ATOM 0 HD12 ILE A 42 7.675 -8.711 17.233 1.00 2.59 H new ATOM 0 HD13 ILE A 42 8.504 -7.896 18.581 1.00 2.59 H new ATOM 573 N ARG A 43 9.722 -4.374 15.655 1.00 1.64 N ATOM 574 CA ARG A 43 10.148 -3.429 14.617 1.00 1.48 C ATOM 575 C ARG A 43 9.825 -3.920 13.191 1.00 1.30 C ATOM 576 O ARG A 43 10.473 -3.500 12.249 1.00 1.26 O ATOM 577 CB ARG A 43 11.639 -3.089 14.803 1.00 1.69 C ATOM 578 CG ARG A 43 12.579 -4.301 14.748 1.00 2.08 C ATOM 579 CD ARG A 43 14.040 -3.840 14.724 1.00 2.50 C ATOM 580 NE ARG A 43 14.951 -4.992 14.824 1.00 3.14 N ATOM 581 CZ ARG A 43 15.482 -5.470 15.946 1.00 3.53 C ATOM 582 NH1 ARG A 43 15.350 -4.880 17.118 1.00 3.73 N ATOM 583 NH2 ARG A 43 16.215 -6.562 15.905 1.00 4.33 N ATOM 0 H ARG A 43 10.236 -5.254 15.616 1.00 1.64 H new ATOM 0 HA ARG A 43 9.570 -2.513 14.736 1.00 1.48 H new ATOM 0 HB2 ARG A 43 11.936 -2.379 14.031 1.00 1.69 H new ATOM 0 HB3 ARG A 43 11.768 -2.588 15.763 1.00 1.69 H new ATOM 0 HG2 ARG A 43 12.407 -4.943 15.612 1.00 2.08 H new ATOM 0 HG3 ARG A 43 12.364 -4.897 13.861 1.00 2.08 H new ATOM 0 HD2 ARG A 43 14.238 -3.292 13.803 1.00 2.50 H new ATOM 0 HD3 ARG A 43 14.223 -3.152 15.550 1.00 2.50 H new ATOM 0 HE ARG A 43 15.197 -5.466 13.955 1.00 3.14 H new ATOM 0 HH11 ARG A 43 14.819 -4.013 17.195 1.00 3.73 H new ATOM 0 HH12 ARG A 43 15.779 -5.291 17.947 1.00 3.73 H new ATOM 0 HH21 ARG A 43 16.373 -7.037 15.016 1.00 4.33 H new ATOM 0 HH22 ARG A 43 16.625 -6.934 16.762 1.00 4.33 H new ATOM 597 N ASP A 44 8.816 -4.762 13.003 1.00 1.33 N ATOM 598 CA ASP A 44 8.388 -5.235 11.679 1.00 1.29 C ATOM 599 C ASP A 44 6.852 -5.230 11.585 1.00 1.20 C ATOM 600 O ASP A 44 6.163 -5.677 12.507 1.00 1.33 O ATOM 601 CB ASP A 44 9.003 -6.618 11.400 1.00 1.47 C ATOM 602 CG ASP A 44 10.510 -6.515 11.098 1.00 1.54 C ATOM 603 OD1 ASP A 44 11.331 -6.501 12.046 1.00 2.63 O ATOM 604 OD2 ASP A 44 10.851 -6.409 9.902 1.00 1.93 O ATOM 0 H ASP A 44 8.262 -5.144 13.770 1.00 1.33 H new ATOM 0 HA ASP A 44 8.750 -4.560 10.904 1.00 1.29 H new ATOM 0 HB2 ASP A 44 8.847 -7.267 12.262 1.00 1.47 H new ATOM 0 HB3 ASP A 44 8.492 -7.081 10.556 1.00 1.47 H new ATOM 609 N THR A 45 6.309 -4.705 10.475 1.00 1.04 N ATOM 610 CA THR A 45 4.864 -4.529 10.229 1.00 1.01 C ATOM 611 C THR A 45 4.542 -4.719 8.741 1.00 0.89 C ATOM 612 O THR A 45 5.428 -4.998 7.934 1.00 1.06 O ATOM 613 CB THR A 45 4.327 -3.184 10.760 1.00 1.05 C ATOM 614 OG1 THR A 45 5.051 -2.133 10.178 1.00 2.54 O ATOM 615 CG2 THR A 45 4.413 -3.032 12.275 1.00 1.92 C ATOM 0 H THR A 45 6.881 -4.379 9.696 1.00 1.04 H new ATOM 0 HA THR A 45 4.346 -5.304 10.794 1.00 1.01 H new ATOM 0 HB THR A 45 3.271 -3.158 10.491 1.00 1.05 H new ATOM 0 HG1 THR A 45 4.711 -1.277 10.512 1.00 2.54 H new ATOM 0 HG21 THR A 45 4.016 -2.060 12.566 1.00 1.92 H new ATOM 0 HG22 THR A 45 3.831 -3.820 12.753 1.00 1.92 H new ATOM 0 HG23 THR A 45 5.454 -3.108 12.590 1.00 1.92 H new ATOM 623 N ALA A 46 3.277 -4.561 8.349 1.00 0.95 N ATOM 624 CA ALA A 46 2.802 -4.679 6.964 1.00 0.94 C ATOM 625 C ALA A 46 1.672 -3.682 6.669 1.00 0.78 C ATOM 626 O ALA A 46 1.093 -3.133 7.600 1.00 0.90 O ATOM 627 CB ALA A 46 2.379 -6.131 6.699 1.00 1.15 C ATOM 0 H ALA A 46 2.528 -4.340 9.006 1.00 0.95 H new ATOM 0 HA ALA A 46 3.613 -4.424 6.282 1.00 0.94 H new ATOM 0 HB1 ALA A 46 2.025 -6.225 5.672 1.00 1.15 H new ATOM 0 HB2 ALA A 46 3.232 -6.792 6.851 1.00 1.15 H new ATOM 0 HB3 ALA A 46 1.579 -6.408 7.385 1.00 1.15 H new ATOM 633 N ALA A 47 1.349 -3.466 5.390 1.00 0.80 N ATOM 634 CA ALA A 47 0.326 -2.528 4.932 1.00 0.72 C ATOM 635 C ALA A 47 -0.468 -3.074 3.732 1.00 0.79 C ATOM 636 O ALA A 47 0.036 -3.867 2.932 1.00 1.03 O ATOM 637 CB ALA A 47 1.003 -1.188 4.624 1.00 0.80 C ATOM 0 H ALA A 47 1.809 -3.956 4.623 1.00 0.80 H new ATOM 0 HA ALA A 47 -0.413 -2.384 5.720 1.00 0.72 H new ATOM 0 HB1 ALA A 47 0.255 -0.473 4.280 1.00 0.80 H new ATOM 0 HB2 ALA A 47 1.482 -0.807 5.526 1.00 0.80 H new ATOM 0 HB3 ALA A 47 1.754 -1.330 3.847 1.00 0.80 H new ATOM 643 N TYR A 48 -1.724 -2.636 3.640 1.00 0.77 N ATOM 644 CA TYR A 48 -2.808 -3.206 2.821 1.00 0.86 C ATOM 645 C TYR A 48 -4.015 -2.243 2.773 1.00 0.98 C ATOM 646 O TYR A 48 -4.142 -1.385 3.649 1.00 1.20 O ATOM 647 CB TYR A 48 -3.212 -4.571 3.413 1.00 1.44 C ATOM 648 CG TYR A 48 -3.388 -4.554 4.922 1.00 1.38 C ATOM 649 CD1 TYR A 48 -4.530 -3.968 5.501 1.00 2.56 C ATOM 650 CD2 TYR A 48 -2.355 -5.044 5.746 1.00 2.63 C ATOM 651 CE1 TYR A 48 -4.632 -3.842 6.897 1.00 3.76 C ATOM 652 CE2 TYR A 48 -2.458 -4.934 7.143 1.00 3.54 C ATOM 653 CZ TYR A 48 -3.591 -4.322 7.722 1.00 3.88 C ATOM 654 OH TYR A 48 -3.672 -4.162 9.071 1.00 5.27 O ATOM 0 H TYR A 48 -2.037 -1.821 4.168 1.00 0.77 H new ATOM 0 HA TYR A 48 -2.461 -3.347 1.797 1.00 0.86 H new ATOM 0 HB2 TYR A 48 -4.144 -4.896 2.951 1.00 1.44 H new ATOM 0 HB3 TYR A 48 -2.453 -5.309 3.153 1.00 1.44 H new ATOM 0 HD1 TYR A 48 -5.331 -3.614 4.869 1.00 2.56 H new ATOM 0 HD2 TYR A 48 -1.484 -5.504 5.304 1.00 2.63 H new ATOM 0 HE1 TYR A 48 -5.503 -3.380 7.337 1.00 3.76 H new ATOM 0 HE2 TYR A 48 -1.670 -5.318 7.774 1.00 3.54 H new ATOM 0 HH TYR A 48 -4.256 -3.402 9.276 1.00 5.27 H new ATOM 664 N MET A 49 -4.926 -2.391 1.797 1.00 1.29 N ATOM 665 CA MET A 49 -6.148 -1.583 1.581 1.00 1.96 C ATOM 666 C MET A 49 -6.919 -1.991 0.300 1.00 1.82 C ATOM 667 O MET A 49 -6.665 -3.066 -0.242 1.00 1.97 O ATOM 668 CB MET A 49 -5.805 -0.077 1.612 1.00 2.61 C ATOM 669 CG MET A 49 -6.547 0.623 2.754 1.00 4.19 C ATOM 670 SD MET A 49 -8.315 0.889 2.484 1.00 6.57 S ATOM 671 CE MET A 49 -8.997 -0.289 3.677 1.00 8.00 C ATOM 0 H MET A 49 -4.827 -3.122 1.092 1.00 1.29 H new ATOM 0 HA MET A 49 -6.833 -1.790 2.404 1.00 1.96 H new ATOM 0 HB2 MET A 49 -4.730 0.054 1.736 1.00 2.61 H new ATOM 0 HB3 MET A 49 -6.075 0.382 0.661 1.00 2.61 H new ATOM 0 HG2 MET A 49 -6.420 0.033 3.662 1.00 4.19 H new ATOM 0 HG3 MET A 49 -6.075 1.589 2.933 1.00 4.19 H new ATOM 0 HE1 MET A 49 -10.049 -0.063 3.851 1.00 8.00 H new ATOM 0 HE2 MET A 49 -8.904 -1.301 3.283 1.00 8.00 H new ATOM 0 HE3 MET A 49 -8.450 -0.213 4.617 1.00 8.00 H new ATOM 681 N THR A 50 -7.860 -1.172 -0.198 1.00 1.67 N ATOM 682 CA THR A 50 -8.542 -1.344 -1.504 1.00 1.44 C ATOM 683 C THR A 50 -9.259 -0.056 -1.929 1.00 1.74 C ATOM 684 O THR A 50 -9.671 0.727 -1.076 1.00 2.14 O ATOM 685 CB THR A 50 -9.594 -2.469 -1.491 1.00 1.43 C ATOM 686 OG1 THR A 50 -9.381 -3.394 -0.454 1.00 2.17 O ATOM 687 CG2 THR A 50 -9.577 -3.261 -2.799 1.00 1.73 C ATOM 0 H THR A 50 -8.181 -0.346 0.307 1.00 1.67 H new ATOM 0 HA THR A 50 -7.749 -1.602 -2.206 1.00 1.44 H new ATOM 0 HB THR A 50 -10.550 -1.965 -1.348 1.00 1.43 H new ATOM 0 HG1 THR A 50 -10.074 -4.087 -0.486 1.00 2.17 H new ATOM 0 HG21 THR A 50 -10.331 -4.047 -2.758 1.00 1.73 H new ATOM 0 HG22 THR A 50 -9.795 -2.593 -3.632 1.00 1.73 H new ATOM 0 HG23 THR A 50 -8.593 -3.708 -2.941 1.00 1.73 H new ATOM 695 N LEU A 51 -9.440 0.150 -3.238 1.00 1.74 N ATOM 696 CA LEU A 51 -10.380 1.122 -3.845 1.00 2.01 C ATOM 697 C LEU A 51 -11.563 0.343 -4.462 1.00 1.95 C ATOM 698 O LEU A 51 -11.509 -0.886 -4.483 1.00 2.54 O ATOM 699 CB LEU A 51 -9.585 1.939 -4.889 1.00 2.33 C ATOM 700 CG LEU A 51 -10.321 3.089 -5.621 1.00 3.25 C ATOM 701 CD1 LEU A 51 -9.426 4.330 -5.682 1.00 3.65 C ATOM 702 CD2 LEU A 51 -10.722 2.702 -7.054 1.00 4.07 C ATOM 0 H LEU A 51 -8.917 -0.374 -3.940 1.00 1.74 H new ATOM 0 HA LEU A 51 -10.800 1.815 -3.115 1.00 2.01 H new ATOM 0 HB2 LEU A 51 -8.714 2.364 -4.389 1.00 2.33 H new ATOM 0 HB3 LEU A 51 -9.213 1.246 -5.644 1.00 2.33 H new ATOM 0 HG LEU A 51 -11.228 3.298 -5.054 1.00 3.25 H new ATOM 0 HD11 LEU A 51 -9.952 5.133 -6.198 1.00 3.65 H new ATOM 0 HD12 LEU A 51 -9.179 4.650 -4.670 1.00 3.65 H new ATOM 0 HD13 LEU A 51 -8.509 4.091 -6.221 1.00 3.65 H new ATOM 0 HD21 LEU A 51 -11.235 3.539 -7.527 1.00 4.07 H new ATOM 0 HD22 LEU A 51 -9.829 2.453 -7.627 1.00 4.07 H new ATOM 0 HD23 LEU A 51 -11.387 1.839 -7.025 1.00 4.07 H new ATOM 714 N THR A 52 -12.609 0.999 -4.991 1.00 1.73 N ATOM 715 CA THR A 52 -13.712 0.306 -5.674 1.00 1.80 C ATOM 716 C THR A 52 -14.370 1.201 -6.727 1.00 1.89 C ATOM 717 O THR A 52 -15.093 2.138 -6.408 1.00 2.47 O ATOM 718 CB THR A 52 -14.652 -0.283 -4.605 1.00 2.26 C ATOM 719 OG1 THR A 52 -15.359 -1.363 -5.163 1.00 2.63 O ATOM 720 CG2 THR A 52 -15.667 0.663 -3.965 1.00 2.75 C ATOM 0 H THR A 52 -12.713 2.013 -4.958 1.00 1.73 H new ATOM 0 HA THR A 52 -13.349 -0.537 -6.262 1.00 1.80 H new ATOM 0 HB THR A 52 -13.980 -0.565 -3.794 1.00 2.26 H new ATOM 0 HG1 THR A 52 -15.959 -1.745 -4.488 1.00 2.63 H new ATOM 0 HG21 THR A 52 -16.262 0.117 -3.232 1.00 2.75 H new ATOM 0 HG22 THR A 52 -15.141 1.480 -3.470 1.00 2.75 H new ATOM 0 HG23 THR A 52 -16.323 1.068 -4.735 1.00 2.75 H new ATOM 728 N ASN A 53 -14.099 0.942 -8.010 1.00 1.57 N ATOM 729 CA ASN A 53 -14.629 1.722 -9.120 1.00 1.62 C ATOM 730 C ASN A 53 -16.107 1.395 -9.371 1.00 1.80 C ATOM 731 O ASN A 53 -16.549 0.264 -9.175 1.00 2.06 O ATOM 732 CB ASN A 53 -13.798 1.422 -10.379 1.00 1.74 C ATOM 733 CG ASN A 53 -13.627 2.621 -11.302 1.00 1.96 C ATOM 734 OD1 ASN A 53 -14.371 3.597 -11.288 1.00 3.35 O ATOM 735 ND2 ASN A 53 -12.568 2.573 -12.081 1.00 1.96 N ATOM 0 H ASN A 53 -13.497 0.173 -8.305 1.00 1.57 H new ATOM 0 HA ASN A 53 -14.563 2.782 -8.873 1.00 1.62 H new ATOM 0 HB2 ASN A 53 -12.814 1.065 -10.077 1.00 1.74 H new ATOM 0 HB3 ASN A 53 -14.274 0.613 -10.933 1.00 1.74 H new ATOM 0 HD21 ASN A 53 -12.349 3.359 -12.693 1.00 1.96 H new ATOM 0 HD22 ASN A 53 -11.966 1.750 -12.073 1.00 1.96 H new ATOM 742 N LYS A 54 -16.848 2.382 -9.878 1.00 1.94 N ATOM 743 CA LYS A 54 -18.259 2.256 -10.282 1.00 2.19 C ATOM 744 C LYS A 54 -18.665 3.332 -11.308 1.00 1.97 C ATOM 745 O LYS A 54 -19.550 4.155 -11.067 1.00 2.18 O ATOM 746 CB LYS A 54 -19.143 2.189 -9.019 1.00 2.75 C ATOM 747 CG LYS A 54 -20.543 1.632 -9.321 1.00 3.44 C ATOM 748 CD LYS A 54 -21.307 1.301 -8.030 1.00 4.02 C ATOM 749 CE LYS A 54 -22.724 0.852 -8.399 1.00 5.02 C ATOM 750 NZ LYS A 54 -23.506 0.409 -7.224 1.00 5.32 N ATOM 0 H LYS A 54 -16.477 3.321 -10.025 1.00 1.94 H new ATOM 0 HA LYS A 54 -18.412 1.321 -10.821 1.00 2.19 H new ATOM 0 HB2 LYS A 54 -18.658 1.562 -8.271 1.00 2.75 H new ATOM 0 HB3 LYS A 54 -19.235 3.186 -8.589 1.00 2.75 H new ATOM 0 HG2 LYS A 54 -21.108 2.360 -9.903 1.00 3.44 H new ATOM 0 HG3 LYS A 54 -20.455 0.734 -9.933 1.00 3.44 H new ATOM 0 HD2 LYS A 54 -20.793 0.514 -7.478 1.00 4.02 H new ATOM 0 HD3 LYS A 54 -21.345 2.174 -7.379 1.00 4.02 H new ATOM 0 HE2 LYS A 54 -23.246 1.675 -8.888 1.00 5.02 H new ATOM 0 HE3 LYS A 54 -22.666 0.037 -9.120 1.00 5.02 H new ATOM 0 HZ1 LYS A 54 -24.456 0.116 -7.530 1.00 5.32 H new ATOM 0 HZ2 LYS A 54 -23.026 -0.394 -6.770 1.00 5.32 H new ATOM 0 HZ3 LYS A 54 -23.587 1.193 -6.545 1.00 5.32 H new ATOM 764 N SER A 55 -17.991 3.321 -12.463 1.00 1.86 N ATOM 765 CA SER A 55 -18.261 4.131 -13.668 1.00 1.92 C ATOM 766 C SER A 55 -17.328 3.745 -14.831 1.00 2.11 C ATOM 767 O SER A 55 -17.764 2.982 -15.672 1.00 3.53 O ATOM 768 CB SER A 55 -18.264 5.653 -13.414 1.00 2.15 C ATOM 769 OG SER A 55 -19.497 6.088 -12.862 1.00 2.40 O ATOM 0 H SER A 55 -17.188 2.707 -12.595 1.00 1.86 H new ATOM 0 HA SER A 55 -19.282 3.888 -13.961 1.00 1.92 H new ATOM 0 HB2 SER A 55 -17.450 5.911 -12.736 1.00 2.15 H new ATOM 0 HB3 SER A 55 -18.078 6.179 -14.350 1.00 2.15 H new ATOM 0 HG SER A 55 -19.707 5.553 -12.068 1.00 2.40 H new ATOM 775 N ASP A 56 -16.084 4.248 -14.879 1.00 1.56 N ATOM 776 CA ASP A 56 -15.205 4.369 -16.072 1.00 1.60 C ATOM 777 C ASP A 56 -14.090 5.404 -15.799 1.00 1.59 C ATOM 778 O ASP A 56 -14.107 6.533 -16.296 1.00 1.90 O ATOM 779 CB ASP A 56 -15.986 4.724 -17.360 1.00 1.87 C ATOM 780 CG ASP A 56 -15.063 4.939 -18.568 1.00 3.25 C ATOM 781 OD1 ASP A 56 -14.048 4.207 -18.668 1.00 4.43 O ATOM 782 OD2 ASP A 56 -15.375 5.828 -19.403 1.00 4.17 O ATOM 0 H ASP A 56 -15.629 4.605 -14.039 1.00 1.56 H new ATOM 0 HA ASP A 56 -14.757 3.391 -16.248 1.00 1.60 H new ATOM 0 HB2 ASP A 56 -16.692 3.925 -17.584 1.00 1.87 H new ATOM 0 HB3 ASP A 56 -16.571 5.628 -17.189 1.00 1.87 H new ATOM 787 N GLN A 57 -13.140 5.048 -14.925 1.00 1.69 N ATOM 788 CA GLN A 57 -12.031 5.933 -14.551 1.00 1.84 C ATOM 789 C GLN A 57 -10.872 5.101 -13.983 1.00 1.81 C ATOM 790 O GLN A 57 -10.762 4.942 -12.768 1.00 1.81 O ATOM 791 CB GLN A 57 -12.515 7.051 -13.604 1.00 2.02 C ATOM 792 CG GLN A 57 -13.460 6.567 -12.490 1.00 2.33 C ATOM 793 CD GLN A 57 -13.792 7.652 -11.484 1.00 2.87 C ATOM 794 OE1 GLN A 57 -13.121 8.664 -11.349 1.00 3.33 O ATOM 795 NE2 GLN A 57 -14.819 7.455 -10.684 1.00 3.56 N ATOM 0 H GLN A 57 -13.119 4.141 -14.459 1.00 1.69 H new ATOM 0 HA GLN A 57 -11.649 6.443 -15.435 1.00 1.84 H new ATOM 0 HB2 GLN A 57 -11.647 7.527 -13.148 1.00 2.02 H new ATOM 0 HB3 GLN A 57 -13.025 7.814 -14.192 1.00 2.02 H new ATOM 0 HG2 GLN A 57 -14.383 6.199 -12.938 1.00 2.33 H new ATOM 0 HG3 GLN A 57 -13.001 5.726 -11.971 1.00 2.33 H new ATOM 0 HE21 GLN A 57 -15.389 6.615 -10.784 1.00 3.56 H new ATOM 0 HE22 GLN A 57 -15.044 8.142 -9.965 1.00 3.56 H new ATOM 804 N PRO A 58 -10.028 4.491 -14.830 1.00 2.11 N ATOM 805 CA PRO A 58 -8.954 3.623 -14.375 1.00 2.37 C ATOM 806 C PRO A 58 -7.663 4.431 -14.179 1.00 2.61 C ATOM 807 O PRO A 58 -6.718 4.336 -14.960 1.00 3.95 O ATOM 808 CB PRO A 58 -8.867 2.551 -15.450 1.00 2.95 C ATOM 809 CG PRO A 58 -9.142 3.336 -16.735 1.00 3.11 C ATOM 810 CD PRO A 58 -10.160 4.393 -16.283 1.00 2.47 C ATOM 0 HA PRO A 58 -9.128 3.166 -13.401 1.00 2.37 H new ATOM 0 HB2 PRO A 58 -7.886 2.076 -15.469 1.00 2.95 H new ATOM 0 HB3 PRO A 58 -9.601 1.761 -15.294 1.00 2.95 H new ATOM 0 HG2 PRO A 58 -8.235 3.793 -17.131 1.00 3.11 H new ATOM 0 HG3 PRO A 58 -9.546 2.697 -17.520 1.00 3.11 H new ATOM 0 HD2 PRO A 58 -9.961 5.354 -16.758 1.00 2.47 H new ATOM 0 HD3 PRO A 58 -11.173 4.103 -16.563 1.00 2.47 H new ATOM 818 N ILE A 59 -7.614 5.227 -13.114 1.00 1.71 N ATOM 819 CA ILE A 59 -6.530 6.169 -12.837 1.00 1.87 C ATOM 820 C ILE A 59 -6.451 6.453 -11.337 1.00 2.01 C ATOM 821 O ILE A 59 -7.470 6.453 -10.655 1.00 3.45 O ATOM 822 CB ILE A 59 -6.688 7.439 -13.706 1.00 3.66 C ATOM 823 CG1 ILE A 59 -5.446 8.345 -13.565 1.00 4.73 C ATOM 824 CG2 ILE A 59 -7.990 8.208 -13.407 1.00 4.58 C ATOM 825 CD1 ILE A 59 -5.330 9.418 -14.655 1.00 6.23 C ATOM 0 H ILE A 59 -8.344 5.236 -12.402 1.00 1.71 H new ATOM 0 HA ILE A 59 -5.572 5.730 -13.115 1.00 1.87 H new ATOM 0 HB ILE A 59 -6.764 7.115 -14.744 1.00 3.66 H new ATOM 0 HG12 ILE A 59 -5.474 8.833 -12.591 1.00 4.73 H new ATOM 0 HG13 ILE A 59 -4.551 7.723 -13.585 1.00 4.73 H new ATOM 0 HG21 ILE A 59 -8.047 9.089 -14.046 1.00 4.58 H new ATOM 0 HG22 ILE A 59 -8.847 7.563 -13.602 1.00 4.58 H new ATOM 0 HG23 ILE A 59 -7.998 8.517 -12.362 1.00 4.58 H new ATOM 0 HD11 ILE A 59 -4.432 10.013 -14.486 1.00 6.23 H new ATOM 0 HD12 ILE A 59 -5.269 8.939 -15.632 1.00 6.23 H new ATOM 0 HD13 ILE A 59 -6.206 10.066 -14.622 1.00 6.23 H new ATOM 837 N LYS A 60 -5.231 6.648 -10.829 1.00 2.10 N ATOM 838 CA LYS A 60 -4.878 6.754 -9.401 1.00 3.71 C ATOM 839 C LYS A 60 -3.345 6.856 -9.213 1.00 2.68 C ATOM 840 O LYS A 60 -2.611 7.242 -10.132 1.00 1.96 O ATOM 841 CB LYS A 60 -5.570 5.620 -8.579 1.00 6.14 C ATOM 842 CG LYS A 60 -6.630 6.151 -7.594 1.00 7.96 C ATOM 843 CD LYS A 60 -6.099 6.215 -6.151 1.00 10.03 C ATOM 844 CE LYS A 60 -7.068 6.915 -5.188 1.00 11.55 C ATOM 845 NZ LYS A 60 -7.048 8.389 -5.344 1.00 12.20 N ATOM 0 H LYS A 60 -4.414 6.742 -11.432 1.00 2.10 H new ATOM 0 HA LYS A 60 -5.270 7.686 -8.993 1.00 3.71 H new ATOM 0 HB2 LYS A 60 -6.040 4.916 -9.266 1.00 6.14 H new ATOM 0 HB3 LYS A 60 -4.812 5.066 -8.025 1.00 6.14 H new ATOM 0 HG2 LYS A 60 -6.949 7.145 -7.907 1.00 7.96 H new ATOM 0 HG3 LYS A 60 -7.510 5.508 -7.628 1.00 7.96 H new ATOM 0 HD2 LYS A 60 -5.908 5.203 -5.794 1.00 10.03 H new ATOM 0 HD3 LYS A 60 -5.144 6.741 -6.144 1.00 10.03 H new ATOM 0 HE2 LYS A 60 -8.079 6.547 -5.362 1.00 11.55 H new ATOM 0 HE3 LYS A 60 -6.807 6.657 -4.162 1.00 11.55 H new ATOM 0 HZ1 LYS A 60 -7.717 8.818 -4.674 1.00 12.20 H new ATOM 0 HZ2 LYS A 60 -6.090 8.745 -5.153 1.00 12.20 H new ATOM 0 HZ3 LYS A 60 -7.323 8.639 -6.315 1.00 12.20 H new ATOM 859 N LEU A 61 -2.833 6.479 -8.037 1.00 3.03 N ATOM 860 CA LEU A 61 -1.448 6.653 -7.602 1.00 2.30 C ATOM 861 C LEU A 61 -0.597 5.479 -8.110 1.00 1.96 C ATOM 862 O LEU A 61 -1.025 4.339 -7.981 1.00 2.71 O ATOM 863 CB LEU A 61 -1.436 6.727 -6.056 1.00 2.50 C ATOM 864 CG LEU A 61 -2.305 7.855 -5.447 1.00 2.65 C ATOM 865 CD1 LEU A 61 -2.835 7.477 -4.062 1.00 4.00 C ATOM 866 CD2 LEU A 61 -1.557 9.189 -5.421 1.00 3.20 C ATOM 0 H LEU A 61 -3.405 6.021 -7.328 1.00 3.03 H new ATOM 0 HA LEU A 61 -1.024 7.571 -8.009 1.00 2.30 H new ATOM 0 HB2 LEU A 61 -1.778 5.771 -5.659 1.00 2.50 H new ATOM 0 HB3 LEU A 61 -0.407 6.861 -5.722 1.00 2.50 H new ATOM 0 HG LEU A 61 -3.171 7.982 -6.097 1.00 2.65 H new ATOM 0 HD11 LEU A 61 -3.440 8.294 -3.668 1.00 4.00 H new ATOM 0 HD12 LEU A 61 -3.446 6.578 -4.139 1.00 4.00 H new ATOM 0 HD13 LEU A 61 -1.997 7.290 -3.390 1.00 4.00 H new ATOM 0 HD21 LEU A 61 -2.198 9.957 -4.987 1.00 3.20 H new ATOM 0 HD22 LEU A 61 -0.654 9.088 -4.820 1.00 3.20 H new ATOM 0 HD23 LEU A 61 -1.286 9.474 -6.438 1.00 3.20 H new ATOM 878 N VAL A 62 0.621 5.725 -8.594 1.00 1.37 N ATOM 879 CA VAL A 62 1.564 4.678 -9.064 1.00 1.48 C ATOM 880 C VAL A 62 2.257 3.941 -7.900 1.00 1.23 C ATOM 881 O VAL A 62 3.382 3.464 -8.016 1.00 1.93 O ATOM 882 CB VAL A 62 2.568 5.211 -10.118 1.00 2.26 C ATOM 883 CG1 VAL A 62 1.832 5.436 -11.443 1.00 3.93 C ATOM 884 CG2 VAL A 62 3.294 6.492 -9.678 1.00 2.42 C ATOM 0 H VAL A 62 0.998 6.669 -8.677 1.00 1.37 H new ATOM 0 HA VAL A 62 0.959 3.930 -9.576 1.00 1.48 H new ATOM 0 HB VAL A 62 3.345 4.456 -10.238 1.00 2.26 H new ATOM 0 HG11 VAL A 62 2.532 5.811 -12.189 1.00 3.93 H new ATOM 0 HG12 VAL A 62 1.406 4.494 -11.787 1.00 3.93 H new ATOM 0 HG13 VAL A 62 1.034 6.164 -11.297 1.00 3.93 H new ATOM 0 HG21 VAL A 62 3.981 6.809 -10.463 1.00 2.42 H new ATOM 0 HG22 VAL A 62 2.563 7.280 -9.495 1.00 2.42 H new ATOM 0 HG23 VAL A 62 3.854 6.297 -8.763 1.00 2.42 H new ATOM 894 N GLY A 63 1.543 3.813 -6.779 1.00 1.12 N ATOM 895 CA GLY A 63 1.878 3.007 -5.614 1.00 1.26 C ATOM 896 C GLY A 63 2.344 3.789 -4.393 1.00 1.01 C ATOM 897 O GLY A 63 2.223 5.014 -4.331 1.00 0.96 O ATOM 0 H GLY A 63 0.657 4.305 -6.658 1.00 1.12 H new ATOM 0 HA2 GLY A 63 1.003 2.419 -5.336 1.00 1.26 H new ATOM 0 HA3 GLY A 63 2.661 2.302 -5.894 1.00 1.26 H new ATOM 901 N ALA A 64 2.792 3.036 -3.388 1.00 1.21 N ATOM 902 CA ALA A 64 3.130 3.525 -2.058 1.00 1.23 C ATOM 903 C ALA A 64 4.601 3.284 -1.695 1.00 1.36 C ATOM 904 O ALA A 64 5.200 2.311 -2.144 1.00 1.80 O ATOM 905 CB ALA A 64 2.206 2.839 -1.042 1.00 1.64 C ATOM 0 H ALA A 64 2.934 2.031 -3.485 1.00 1.21 H new ATOM 0 HA ALA A 64 2.986 4.605 -2.041 1.00 1.23 H new ATOM 0 HB1 ALA A 64 2.443 3.192 -0.038 1.00 1.64 H new ATOM 0 HB2 ALA A 64 1.168 3.078 -1.275 1.00 1.64 H new ATOM 0 HB3 ALA A 64 2.350 1.760 -1.090 1.00 1.64 H new ATOM 911 N ALA A 65 5.141 4.132 -0.815 1.00 1.13 N ATOM 912 CA ALA A 65 6.440 3.931 -0.168 1.00 1.20 C ATOM 913 C ALA A 65 6.434 4.485 1.267 1.00 1.22 C ATOM 914 O ALA A 65 5.627 5.359 1.606 1.00 1.28 O ATOM 915 CB ALA A 65 7.538 4.569 -1.030 1.00 1.22 C ATOM 0 H ALA A 65 4.678 4.994 -0.527 1.00 1.13 H new ATOM 0 HA ALA A 65 6.645 2.864 -0.086 1.00 1.20 H new ATOM 0 HB1 ALA A 65 8.507 4.422 -0.553 1.00 1.22 H new ATOM 0 HB2 ALA A 65 7.544 4.102 -2.015 1.00 1.22 H new ATOM 0 HB3 ALA A 65 7.344 5.636 -1.135 1.00 1.22 H new ATOM 921 N THR A 66 7.350 4.004 2.121 1.00 1.38 N ATOM 922 CA THR A 66 7.422 4.413 3.529 1.00 1.54 C ATOM 923 C THR A 66 8.867 4.381 4.063 1.00 1.66 C ATOM 924 O THR A 66 9.357 3.288 4.358 1.00 1.77 O ATOM 925 CB THR A 66 6.408 3.637 4.376 1.00 1.59 C ATOM 926 OG1 THR A 66 6.470 4.180 5.673 1.00 1.75 O ATOM 927 CG2 THR A 66 6.603 2.120 4.426 1.00 1.71 C ATOM 0 H THR A 66 8.060 3.322 1.854 1.00 1.38 H new ATOM 0 HA THR A 66 7.127 5.460 3.607 1.00 1.54 H new ATOM 0 HB THR A 66 5.432 3.753 3.906 1.00 1.59 H new ATOM 0 HG1 THR A 66 5.833 3.713 6.254 1.00 1.75 H new ATOM 0 HG21 THR A 66 5.831 1.674 5.053 1.00 1.71 H new ATOM 0 HG22 THR A 66 6.533 1.711 3.418 1.00 1.71 H new ATOM 0 HG23 THR A 66 7.584 1.893 4.843 1.00 1.71 H new ATOM 935 N PRO A 67 9.525 5.556 4.248 1.00 1.79 N ATOM 936 CA PRO A 67 10.829 5.683 4.906 1.00 1.81 C ATOM 937 C PRO A 67 10.727 5.429 6.422 1.00 1.53 C ATOM 938 O PRO A 67 11.663 5.713 7.165 1.00 1.41 O ATOM 939 CB PRO A 67 11.406 7.056 4.531 1.00 2.18 C ATOM 940 CG PRO A 67 10.107 7.854 4.429 1.00 2.25 C ATOM 941 CD PRO A 67 9.068 6.878 3.880 1.00 2.07 C ATOM 0 HA PRO A 67 11.521 4.916 4.559 1.00 1.81 H new ATOM 0 HB2 PRO A 67 12.081 7.449 5.291 1.00 2.18 H new ATOM 0 HB3 PRO A 67 11.960 7.036 3.593 1.00 2.18 H new ATOM 0 HG2 PRO A 67 9.806 8.240 5.403 1.00 2.25 H new ATOM 0 HG3 PRO A 67 10.225 8.713 3.769 1.00 2.25 H new ATOM 0 HD2 PRO A 67 8.083 7.081 4.300 1.00 2.07 H new ATOM 0 HD3 PRO A 67 8.979 6.972 2.798 1.00 2.07 H new ATOM 949 N LEU A 68 9.597 4.889 6.917 1.00 1.52 N ATOM 950 CA LEU A 68 9.491 4.429 8.299 1.00 1.42 C ATOM 951 C LEU A 68 10.220 3.097 8.485 1.00 1.35 C ATOM 952 O LEU A 68 10.586 2.796 9.616 1.00 1.38 O ATOM 953 CB LEU A 68 8.015 4.327 8.706 1.00 1.56 C ATOM 954 CG LEU A 68 7.207 5.643 8.660 1.00 1.89 C ATOM 955 CD1 LEU A 68 5.777 5.366 9.137 1.00 3.12 C ATOM 956 CD2 LEU A 68 7.837 6.739 9.535 1.00 2.27 C ATOM 0 H LEU A 68 8.745 4.764 6.370 1.00 1.52 H new ATOM 0 HA LEU A 68 9.973 5.156 8.953 1.00 1.42 H new ATOM 0 HB2 LEU A 68 7.528 3.602 8.054 1.00 1.56 H new ATOM 0 HB3 LEU A 68 7.965 3.928 9.719 1.00 1.56 H new ATOM 0 HG LEU A 68 7.207 6.004 7.632 1.00 1.89 H new ATOM 0 HD11 LEU A 68 5.199 6.289 9.108 1.00 3.12 H new ATOM 0 HD12 LEU A 68 5.313 4.626 8.485 1.00 3.12 H new ATOM 0 HD13 LEU A 68 5.801 4.985 10.158 1.00 3.12 H new ATOM 0 HD21 LEU A 68 7.235 7.646 9.472 1.00 2.27 H new ATOM 0 HD22 LEU A 68 7.876 6.401 10.570 1.00 2.27 H new ATOM 0 HD23 LEU A 68 8.847 6.949 9.184 1.00 2.27 H new ATOM 968 N ALA A 69 10.430 2.317 7.414 1.00 1.40 N ATOM 969 CA ALA A 69 11.167 1.055 7.427 1.00 1.42 C ATOM 970 C ALA A 69 12.618 1.250 6.962 1.00 1.49 C ATOM 971 O ALA A 69 12.867 2.053 6.067 1.00 1.66 O ATOM 972 CB ALA A 69 10.405 0.089 6.518 1.00 1.55 C ATOM 0 H ALA A 69 10.078 2.560 6.488 1.00 1.40 H new ATOM 0 HA ALA A 69 11.232 0.654 8.439 1.00 1.42 H new ATOM 0 HB1 ALA A 69 10.919 -0.872 6.495 1.00 1.55 H new ATOM 0 HB2 ALA A 69 9.394 -0.050 6.901 1.00 1.55 H new ATOM 0 HB3 ALA A 69 10.358 0.499 5.509 1.00 1.55 H new ATOM 978 N THR A 70 13.549 0.452 7.503 1.00 1.54 N ATOM 979 CA THR A 70 14.933 0.326 7.010 1.00 1.74 C ATOM 980 C THR A 70 14.969 -0.404 5.671 1.00 1.78 C ATOM 981 O THR A 70 15.698 -0.017 4.761 1.00 1.88 O ATOM 982 CB THR A 70 15.820 -0.377 8.046 1.00 1.90 C ATOM 983 OG1 THR A 70 15.756 0.327 9.265 1.00 2.06 O ATOM 984 CG2 THR A 70 17.297 -0.403 7.633 1.00 2.12 C ATOM 0 H THR A 70 13.360 -0.138 8.313 1.00 1.54 H new ATOM 0 HA THR A 70 15.330 1.329 6.855 1.00 1.74 H new ATOM 0 HB THR A 70 15.451 -1.399 8.132 1.00 1.90 H new ATOM 0 HG1 THR A 70 14.858 0.238 9.647 1.00 2.06 H new ATOM 0 HG21 THR A 70 17.881 -0.911 8.401 1.00 2.12 H new ATOM 0 HG22 THR A 70 17.401 -0.934 6.687 1.00 2.12 H new ATOM 0 HG23 THR A 70 17.661 0.618 7.518 1.00 2.12 H new ATOM 992 N SER A 71 14.117 -1.412 5.501 1.00 1.77 N ATOM 993 CA SER A 71 13.805 -2.015 4.200 1.00 1.86 C ATOM 994 C SER A 71 12.281 -2.001 3.965 1.00 1.64 C ATOM 995 O SER A 71 11.577 -2.912 4.414 1.00 1.55 O ATOM 996 CB SER A 71 14.355 -3.456 4.130 1.00 2.03 C ATOM 997 OG SER A 71 15.720 -3.510 3.717 1.00 2.45 O ATOM 0 H SER A 71 13.613 -1.843 6.276 1.00 1.77 H new ATOM 0 HA SER A 71 14.283 -1.430 3.415 1.00 1.86 H new ATOM 0 HB2 SER A 71 14.258 -3.924 5.109 1.00 2.03 H new ATOM 0 HB3 SER A 71 13.748 -4.038 3.437 1.00 2.03 H new ATOM 0 HG SER A 71 16.017 -4.443 3.691 1.00 2.45 H new ATOM 1003 N PRO A 72 11.729 -1.008 3.244 1.00 1.59 N ATOM 1004 CA PRO A 72 10.398 -1.144 2.679 1.00 1.46 C ATOM 1005 C PRO A 72 10.459 -2.220 1.588 1.00 1.49 C ATOM 1006 O PRO A 72 11.194 -2.092 0.612 1.00 1.62 O ATOM 1007 CB PRO A 72 10.023 0.248 2.160 1.00 1.52 C ATOM 1008 CG PRO A 72 11.371 0.899 1.847 1.00 1.70 C ATOM 1009 CD PRO A 72 12.327 0.268 2.863 1.00 1.73 C ATOM 0 HA PRO A 72 9.635 -1.466 3.388 1.00 1.46 H new ATOM 0 HB2 PRO A 72 9.393 0.187 1.273 1.00 1.52 H new ATOM 0 HB3 PRO A 72 9.468 0.817 2.906 1.00 1.52 H new ATOM 0 HG2 PRO A 72 11.685 0.696 0.823 1.00 1.70 H new ATOM 0 HG3 PRO A 72 11.327 1.982 1.958 1.00 1.70 H new ATOM 0 HD2 PRO A 72 13.316 0.121 2.428 1.00 1.73 H new ATOM 0 HD3 PRO A 72 12.454 0.914 3.732 1.00 1.73 H new ATOM 1017 N MET A 73 9.692 -3.295 1.771 1.00 1.43 N ATOM 1018 CA MET A 73 9.463 -4.335 0.771 1.00 1.29 C ATOM 1019 C MET A 73 8.080 -4.130 0.162 1.00 0.94 C ATOM 1020 O MET A 73 7.093 -3.971 0.876 1.00 0.95 O ATOM 1021 CB MET A 73 9.574 -5.724 1.403 1.00 1.54 C ATOM 1022 CG MET A 73 11.013 -6.055 1.806 1.00 1.75 C ATOM 1023 SD MET A 73 11.263 -7.817 2.133 1.00 3.12 S ATOM 1024 CE MET A 73 12.991 -7.769 2.671 1.00 3.93 C ATOM 0 H MET A 73 9.198 -3.470 2.646 1.00 1.43 H new ATOM 0 HA MET A 73 10.221 -4.266 -0.010 1.00 1.29 H new ATOM 0 HB2 MET A 73 8.930 -5.776 2.281 1.00 1.54 H new ATOM 0 HB3 MET A 73 9.213 -6.473 0.698 1.00 1.54 H new ATOM 0 HG2 MET A 73 11.690 -5.738 1.012 1.00 1.75 H new ATOM 0 HG3 MET A 73 11.276 -5.484 2.696 1.00 1.75 H new ATOM 0 HE1 MET A 73 13.229 -8.685 3.211 1.00 3.93 H new ATOM 0 HE2 MET A 73 13.641 -7.681 1.800 1.00 3.93 H new ATOM 0 HE3 MET A 73 13.144 -6.911 3.326 1.00 3.93 H new ATOM 1034 N LEU A 74 8.018 -4.098 -1.168 1.00 1.03 N ATOM 1035 CA LEU A 74 6.842 -3.657 -1.915 1.00 0.89 C ATOM 1036 C LEU A 74 6.665 -4.583 -3.131 1.00 0.86 C ATOM 1037 O LEU A 74 7.513 -4.578 -4.026 1.00 0.99 O ATOM 1038 CB LEU A 74 6.985 -2.156 -2.302 1.00 1.20 C ATOM 1039 CG LEU A 74 7.896 -1.239 -1.443 1.00 2.09 C ATOM 1040 CD1 LEU A 74 9.356 -1.279 -1.929 1.00 2.51 C ATOM 1041 CD2 LEU A 74 7.415 0.216 -1.514 1.00 2.91 C ATOM 0 H LEU A 74 8.795 -4.382 -1.765 1.00 1.03 H new ATOM 0 HA LEU A 74 5.941 -3.727 -1.306 1.00 0.89 H new ATOM 0 HB2 LEU A 74 7.351 -2.115 -3.328 1.00 1.20 H new ATOM 0 HB3 LEU A 74 5.986 -1.720 -2.302 1.00 1.20 H new ATOM 0 HG LEU A 74 7.842 -1.610 -0.419 1.00 2.09 H new ATOM 0 HD11 LEU A 74 9.965 -0.625 -1.305 1.00 2.51 H new ATOM 0 HD12 LEU A 74 9.734 -2.299 -1.863 1.00 2.51 H new ATOM 0 HD13 LEU A 74 9.404 -0.941 -2.964 1.00 2.51 H new ATOM 0 HD21 LEU A 74 8.066 0.844 -0.906 1.00 2.91 H new ATOM 0 HD22 LEU A 74 7.443 0.559 -2.548 1.00 2.91 H new ATOM 0 HD23 LEU A 74 6.394 0.280 -1.138 1.00 2.91 H new ATOM 1053 N MET A 75 5.604 -5.396 -3.163 1.00 0.96 N ATOM 1054 CA MET A 75 5.482 -6.559 -4.061 1.00 1.19 C ATOM 1055 C MET A 75 4.032 -6.780 -4.515 1.00 1.27 C ATOM 1056 O MET A 75 3.111 -6.598 -3.718 1.00 1.52 O ATOM 1057 CB MET A 75 6.028 -7.788 -3.313 1.00 1.35 C ATOM 1058 CG MET A 75 5.952 -9.100 -4.100 1.00 2.55 C ATOM 1059 SD MET A 75 6.857 -10.441 -3.298 1.00 2.85 S ATOM 1060 CE MET A 75 6.387 -11.803 -4.396 1.00 4.95 C ATOM 0 H MET A 75 4.792 -5.267 -2.559 1.00 0.96 H new ATOM 0 HA MET A 75 6.058 -6.384 -4.970 1.00 1.19 H new ATOM 0 HB2 MET A 75 7.068 -7.601 -3.044 1.00 1.35 H new ATOM 0 HB3 MET A 75 5.474 -7.906 -2.382 1.00 1.35 H new ATOM 0 HG2 MET A 75 4.908 -9.390 -4.217 1.00 2.55 H new ATOM 0 HG3 MET A 75 6.353 -8.943 -5.101 1.00 2.55 H new ATOM 0 HE1 MET A 75 6.857 -12.725 -4.054 1.00 4.95 H new ATOM 0 HE2 MET A 75 5.304 -11.922 -4.385 1.00 4.95 H new ATOM 0 HE3 MET A 75 6.717 -11.582 -5.411 1.00 4.95 H new ATOM 1070 N THR A 76 3.837 -7.200 -5.777 1.00 1.33 N ATOM 1071 CA THR A 76 2.526 -7.550 -6.344 1.00 1.41 C ATOM 1072 C THR A 76 2.642 -8.610 -7.445 1.00 1.61 C ATOM 1073 O THR A 76 3.731 -8.832 -7.986 1.00 1.77 O ATOM 1074 CB THR A 76 1.717 -6.307 -6.764 1.00 1.62 C ATOM 1075 OG1 THR A 76 0.434 -6.701 -7.162 1.00 2.21 O ATOM 1076 CG2 THR A 76 2.354 -5.587 -7.957 1.00 2.30 C ATOM 0 H THR A 76 4.602 -7.307 -6.443 1.00 1.33 H new ATOM 0 HA THR A 76 1.944 -8.014 -5.548 1.00 1.41 H new ATOM 0 HB THR A 76 1.691 -5.636 -5.905 1.00 1.62 H new ATOM 0 HG1 THR A 76 -0.147 -5.914 -7.219 1.00 2.21 H new ATOM 0 HG21 THR A 76 1.752 -4.717 -8.221 1.00 2.30 H new ATOM 0 HG22 THR A 76 3.361 -5.265 -7.692 1.00 2.30 H new ATOM 0 HG23 THR A 76 2.402 -6.266 -8.808 1.00 2.30 H new ATOM 1084 N THR A 77 1.518 -9.296 -7.693 1.00 1.78 N ATOM 1085 CA THR A 77 1.405 -10.638 -8.285 1.00 1.77 C ATOM 1086 C THR A 77 -0.003 -10.801 -8.864 1.00 1.83 C ATOM 1087 O THR A 77 -0.975 -10.897 -8.115 1.00 2.27 O ATOM 1088 CB THR A 77 1.641 -11.752 -7.230 1.00 1.77 C ATOM 1089 OG1 THR A 77 2.138 -11.256 -6.005 1.00 2.06 O ATOM 1090 CG2 THR A 77 2.617 -12.818 -7.716 1.00 2.49 C ATOM 0 H THR A 77 0.603 -8.903 -7.471 1.00 1.78 H new ATOM 0 HA THR A 77 2.165 -10.735 -9.060 1.00 1.77 H new ATOM 0 HB THR A 77 0.653 -12.187 -7.076 1.00 1.77 H new ATOM 0 HG1 THR A 77 1.476 -10.656 -5.602 1.00 2.06 H new ATOM 0 HG21 THR A 77 2.747 -13.573 -6.941 1.00 2.49 H new ATOM 0 HG22 THR A 77 2.224 -13.288 -8.618 1.00 2.49 H new ATOM 0 HG23 THR A 77 3.579 -12.356 -7.938 1.00 2.49 H new ATOM 1098 N THR A 78 -0.131 -10.879 -10.194 1.00 2.39 N ATOM 1099 CA THR A 78 -1.422 -10.879 -10.908 1.00 2.64 C ATOM 1100 C THR A 78 -1.359 -11.660 -12.221 1.00 3.11 C ATOM 1101 O THR A 78 -0.344 -11.696 -12.904 1.00 4.17 O ATOM 1102 CB THR A 78 -1.944 -9.440 -11.102 1.00 4.49 C ATOM 1103 OG1 THR A 78 -2.936 -9.434 -12.109 1.00 5.77 O ATOM 1104 CG2 THR A 78 -0.876 -8.415 -11.497 1.00 5.53 C ATOM 0 H THR A 78 0.672 -10.945 -10.819 1.00 2.39 H new ATOM 0 HA THR A 78 -2.143 -11.406 -10.283 1.00 2.64 H new ATOM 0 HB THR A 78 -2.329 -9.141 -10.127 1.00 4.49 H new ATOM 0 HG1 THR A 78 -2.706 -8.769 -12.791 1.00 5.77 H new ATOM 0 HG21 THR A 78 -1.337 -7.434 -11.610 1.00 5.53 H new ATOM 0 HG22 THR A 78 -0.111 -8.369 -10.721 1.00 5.53 H new ATOM 0 HG23 THR A 78 -0.418 -8.712 -12.441 1.00 5.53 H new ATOM 1112 N HIS A 79 -2.488 -12.281 -12.560 1.00 3.15 N ATOM 1113 CA HIS A 79 -2.759 -13.048 -13.785 1.00 4.40 C ATOM 1114 C HIS A 79 -4.286 -13.228 -14.032 1.00 4.85 C ATOM 1115 O HIS A 79 -4.745 -14.261 -14.531 1.00 6.24 O ATOM 1116 CB HIS A 79 -1.953 -14.366 -13.754 1.00 5.57 C ATOM 1117 CG HIS A 79 -0.819 -14.390 -14.760 1.00 7.12 C ATOM 1118 ND1 HIS A 79 0.436 -13.848 -14.592 1.00 8.47 N ATOM 1119 CD2 HIS A 79 -0.860 -14.931 -16.020 1.00 8.11 C ATOM 1120 CE1 HIS A 79 1.133 -14.069 -15.718 1.00 10.07 C ATOM 1121 NE2 HIS A 79 0.383 -14.728 -16.626 1.00 9.87 N ATOM 0 H HIS A 79 -3.300 -12.262 -11.943 1.00 3.15 H new ATOM 0 HA HIS A 79 -2.415 -12.488 -14.655 1.00 4.40 H new ATOM 0 HB2 HIS A 79 -1.547 -14.514 -12.753 1.00 5.57 H new ATOM 0 HB3 HIS A 79 -2.625 -15.201 -13.952 1.00 5.57 H new ATOM 0 HD1 HIS A 79 0.775 -13.365 -13.760 1.00 8.47 H new ATOM 0 HD2 HIS A 79 -1.708 -15.429 -16.467 1.00 8.11 H new ATOM 0 HE1 HIS A 79 2.156 -13.761 -15.876 1.00 10.07 H new ATOM 1129 N SER A 80 -5.124 -12.244 -13.672 1.00 4.08 N ATOM 1130 CA SER A 80 -6.587 -12.352 -13.842 1.00 4.83 C ATOM 1131 C SER A 80 -7.288 -11.041 -14.225 1.00 4.04 C ATOM 1132 O SER A 80 -7.701 -10.903 -15.370 1.00 4.91 O ATOM 1133 CB SER A 80 -7.231 -13.012 -12.613 1.00 5.54 C ATOM 1134 OG SER A 80 -6.727 -14.316 -12.428 1.00 7.05 O ATOM 0 H SER A 80 -4.816 -11.363 -13.261 1.00 4.08 H new ATOM 0 HA SER A 80 -6.736 -12.999 -14.707 1.00 4.83 H new ATOM 0 HB2 SER A 80 -7.034 -12.411 -11.725 1.00 5.54 H new ATOM 0 HB3 SER A 80 -8.313 -13.049 -12.739 1.00 5.54 H new ATOM 0 HG SER A 80 -7.147 -14.720 -11.640 1.00 7.05 H new ATOM 1140 N GLY A 81 -7.429 -10.069 -13.318 1.00 3.07 N ATOM 1141 CA GLY A 81 -8.387 -8.946 -13.456 1.00 2.93 C ATOM 1142 C GLY A 81 -8.107 -7.883 -14.530 1.00 2.79 C ATOM 1143 O GLY A 81 -8.753 -6.837 -14.514 1.00 3.50 O ATOM 0 H GLY A 81 -6.882 -10.031 -12.458 1.00 3.07 H new ATOM 0 HA2 GLY A 81 -9.371 -9.370 -13.655 1.00 2.93 H new ATOM 0 HA3 GLY A 81 -8.447 -8.439 -12.493 1.00 2.93 H new ATOM 1147 N GLY A 82 -7.181 -8.120 -15.468 1.00 2.72 N ATOM 1148 CA GLY A 82 -6.946 -7.292 -16.653 1.00 3.05 C ATOM 1149 C GLY A 82 -5.463 -7.091 -16.936 1.00 2.94 C ATOM 1150 O GLY A 82 -5.041 -7.255 -18.078 1.00 3.26 O ATOM 0 H GLY A 82 -6.554 -8.923 -15.419 1.00 2.72 H new ATOM 0 HA2 GLY A 82 -7.418 -7.758 -17.518 1.00 3.05 H new ATOM 0 HA3 GLY A 82 -7.422 -6.321 -16.515 1.00 3.05 H new ATOM 1154 N MET A 83 -4.673 -6.784 -15.904 1.00 2.71 N ATOM 1155 CA MET A 83 -3.251 -6.442 -16.010 1.00 2.77 C ATOM 1156 C MET A 83 -2.380 -7.499 -15.315 1.00 2.74 C ATOM 1157 O MET A 83 -2.241 -7.485 -14.094 1.00 2.95 O ATOM 1158 CB MET A 83 -3.064 -5.036 -15.407 1.00 2.76 C ATOM 1159 CG MET A 83 -1.649 -4.470 -15.562 1.00 3.18 C ATOM 1160 SD MET A 83 -1.546 -2.767 -14.960 1.00 4.48 S ATOM 1161 CE MET A 83 0.157 -2.377 -15.414 1.00 5.03 C ATOM 0 H MET A 83 -5.015 -6.766 -14.943 1.00 2.71 H new ATOM 0 HA MET A 83 -2.931 -6.432 -17.052 1.00 2.77 H new ATOM 0 HB2 MET A 83 -3.770 -4.353 -15.880 1.00 2.76 H new ATOM 0 HB3 MET A 83 -3.315 -5.071 -14.347 1.00 2.76 H new ATOM 0 HG2 MET A 83 -0.944 -5.094 -15.013 1.00 3.18 H new ATOM 0 HG3 MET A 83 -1.355 -4.505 -16.611 1.00 3.18 H new ATOM 0 HE1 MET A 83 0.389 -1.355 -15.113 1.00 5.03 H new ATOM 0 HE2 MET A 83 0.835 -3.066 -14.911 1.00 5.03 H new ATOM 0 HE3 MET A 83 0.277 -2.473 -16.493 1.00 5.03 H new ATOM 1171 N ALA A 84 -1.815 -8.439 -16.077 1.00 2.83 N ATOM 1172 CA ALA A 84 -0.992 -9.537 -15.566 1.00 2.88 C ATOM 1173 C ALA A 84 0.490 -9.136 -15.410 1.00 2.93 C ATOM 1174 O ALA A 84 1.001 -8.325 -16.188 1.00 3.26 O ATOM 1175 CB ALA A 84 -1.156 -10.741 -16.506 1.00 3.35 C ATOM 0 H ALA A 84 -1.920 -8.458 -17.091 1.00 2.83 H new ATOM 0 HA ALA A 84 -1.332 -9.800 -14.564 1.00 2.88 H new ATOM 0 HB1 ALA A 84 -0.550 -11.571 -16.143 1.00 3.35 H new ATOM 0 HB2 ALA A 84 -2.204 -11.041 -16.534 1.00 3.35 H new ATOM 0 HB3 ALA A 84 -0.831 -10.466 -17.509 1.00 3.35 H new ATOM 1181 N GLY A 85 1.176 -9.733 -14.429 1.00 2.78 N ATOM 1182 CA GLY A 85 2.573 -9.475 -14.079 1.00 2.91 C ATOM 1183 C GLY A 85 2.858 -9.809 -12.615 1.00 2.31 C ATOM 1184 O GLY A 85 1.948 -9.871 -11.794 1.00 2.46 O ATOM 0 H GLY A 85 0.751 -10.442 -13.831 1.00 2.78 H new ATOM 0 HA2 GLY A 85 3.225 -10.067 -14.721 1.00 2.91 H new ATOM 0 HA3 GLY A 85 2.808 -8.427 -14.266 1.00 2.91 H new ATOM 1188 N MET A 86 4.132 -9.998 -12.278 1.00 2.34 N ATOM 1189 CA MET A 86 4.568 -10.331 -10.918 1.00 1.98 C ATOM 1190 C MET A 86 5.995 -9.855 -10.648 1.00 1.96 C ATOM 1191 O MET A 86 6.937 -10.328 -11.284 1.00 2.70 O ATOM 1192 CB MET A 86 4.385 -11.835 -10.626 1.00 2.63 C ATOM 1193 CG MET A 86 4.976 -12.845 -11.621 1.00 3.59 C ATOM 1194 SD MET A 86 4.024 -13.116 -13.146 1.00 4.99 S ATOM 1195 CE MET A 86 4.764 -14.693 -13.634 1.00 6.16 C ATOM 0 H MET A 86 4.900 -9.924 -12.945 1.00 2.34 H new ATOM 0 HA MET A 86 3.926 -9.790 -10.222 1.00 1.98 H new ATOM 0 HB2 MET A 86 4.819 -12.039 -9.647 1.00 2.63 H new ATOM 0 HB3 MET A 86 3.316 -12.031 -10.548 1.00 2.63 H new ATOM 0 HG2 MET A 86 5.976 -12.511 -11.896 1.00 3.59 H new ATOM 0 HG3 MET A 86 5.089 -13.802 -11.112 1.00 3.59 H new ATOM 0 HE1 MET A 86 4.309 -15.036 -14.563 1.00 6.16 H new ATOM 0 HE2 MET A 86 5.836 -14.562 -13.782 1.00 6.16 H new ATOM 0 HE3 MET A 86 4.594 -15.432 -12.852 1.00 6.16 H new ATOM 1205 N LYS A 87 6.156 -8.918 -9.705 1.00 2.06 N ATOM 1206 CA LYS A 87 7.430 -8.255 -9.380 1.00 2.51 C ATOM 1207 C LYS A 87 7.340 -7.373 -8.113 1.00 1.41 C ATOM 1208 O LYS A 87 6.452 -7.524 -7.273 1.00 2.26 O ATOM 1209 CB LYS A 87 7.976 -7.496 -10.628 1.00 4.66 C ATOM 1210 CG LYS A 87 9.498 -7.675 -10.795 1.00 5.49 C ATOM 1211 CD LYS A 87 9.967 -7.425 -12.234 1.00 7.32 C ATOM 1212 CE LYS A 87 9.770 -5.978 -12.698 1.00 8.89 C ATOM 1213 NZ LYS A 87 9.994 -5.863 -14.157 1.00 10.64 N ATOM 0 H LYS A 87 5.381 -8.589 -9.129 1.00 2.06 H new ATOM 0 HA LYS A 87 8.158 -9.025 -9.124 1.00 2.51 H new ATOM 0 HB2 LYS A 87 7.469 -7.857 -11.522 1.00 4.66 H new ATOM 0 HB3 LYS A 87 7.744 -6.435 -10.537 1.00 4.66 H new ATOM 0 HG2 LYS A 87 10.016 -6.990 -10.124 1.00 5.49 H new ATOM 0 HG3 LYS A 87 9.776 -8.686 -10.497 1.00 5.49 H new ATOM 0 HD2 LYS A 87 11.023 -7.683 -12.314 1.00 7.32 H new ATOM 0 HD3 LYS A 87 9.425 -8.091 -12.905 1.00 7.32 H new ATOM 0 HE2 LYS A 87 8.761 -5.646 -12.452 1.00 8.89 H new ATOM 0 HE3 LYS A 87 10.460 -5.323 -12.166 1.00 8.89 H new ATOM 0 HZ1 LYS A 87 9.856 -4.875 -14.453 1.00 10.64 H new ATOM 0 HZ2 LYS A 87 10.965 -6.160 -14.384 1.00 10.64 H new ATOM 0 HZ3 LYS A 87 9.319 -6.473 -14.661 1.00 10.64 H new ATOM 1227 N MET A 88 8.290 -6.449 -7.954 1.00 1.85 N ATOM 1228 CA MET A 88 8.291 -5.392 -6.936 1.00 1.98 C ATOM 1229 C MET A 88 7.643 -4.096 -7.451 1.00 1.78 C ATOM 1230 O MET A 88 7.604 -3.873 -8.655 1.00 2.42 O ATOM 1231 CB MET A 88 9.732 -5.156 -6.459 1.00 3.46 C ATOM 1232 CG MET A 88 10.153 -6.276 -5.498 1.00 4.29 C ATOM 1233 SD MET A 88 11.912 -6.689 -5.523 1.00 5.70 S ATOM 1234 CE MET A 88 11.933 -7.705 -7.025 1.00 5.42 C ATOM 0 H MET A 88 9.114 -6.414 -8.555 1.00 1.85 H new ATOM 0 HA MET A 88 7.684 -5.717 -6.091 1.00 1.98 H new ATOM 0 HB2 MET A 88 10.407 -5.126 -7.314 1.00 3.46 H new ATOM 0 HB3 MET A 88 9.806 -4.190 -5.960 1.00 3.46 H new ATOM 0 HG2 MET A 88 9.879 -5.985 -4.484 1.00 4.29 H new ATOM 0 HG3 MET A 88 9.582 -7.173 -5.738 1.00 4.29 H new ATOM 0 HE1 MET A 88 12.947 -8.059 -7.211 1.00 5.42 H new ATOM 0 HE2 MET A 88 11.269 -8.559 -6.896 1.00 5.42 H new ATOM 0 HE3 MET A 88 11.596 -7.108 -7.873 1.00 5.42 H new ATOM 1244 N VAL A 89 7.153 -3.282 -6.511 1.00 1.84 N ATOM 1245 CA VAL A 89 6.385 -2.024 -6.667 1.00 1.63 C ATOM 1246 C VAL A 89 4.893 -2.365 -6.853 1.00 1.44 C ATOM 1247 O VAL A 89 4.495 -2.737 -7.956 1.00 1.67 O ATOM 1248 CB VAL A 89 6.875 -1.067 -7.793 1.00 1.68 C ATOM 1249 CG1 VAL A 89 6.073 0.248 -7.756 1.00 2.80 C ATOM 1250 CG2 VAL A 89 8.366 -0.720 -7.625 1.00 2.81 C ATOM 0 H VAL A 89 7.293 -3.500 -5.524 1.00 1.84 H new ATOM 0 HA VAL A 89 6.552 -1.459 -5.750 1.00 1.63 H new ATOM 0 HB VAL A 89 6.728 -1.582 -8.743 1.00 1.68 H new ATOM 0 HG11 VAL A 89 6.424 0.910 -8.548 1.00 2.80 H new ATOM 0 HG12 VAL A 89 5.015 0.033 -7.905 1.00 2.80 H new ATOM 0 HG13 VAL A 89 6.212 0.732 -6.789 1.00 2.80 H new ATOM 0 HG21 VAL A 89 8.676 -0.050 -8.427 1.00 2.81 H new ATOM 0 HG22 VAL A 89 8.519 -0.230 -6.664 1.00 2.81 H new ATOM 0 HG23 VAL A 89 8.959 -1.634 -7.665 1.00 2.81 H new ATOM 1260 N PRO A 90 4.065 -2.261 -5.791 1.00 1.41 N ATOM 1261 CA PRO A 90 2.708 -2.788 -5.810 1.00 1.64 C ATOM 1262 C PRO A 90 1.703 -1.963 -6.608 1.00 1.92 C ATOM 1263 O PRO A 90 0.562 -2.382 -6.683 1.00 3.35 O ATOM 1264 CB PRO A 90 2.271 -2.916 -4.350 1.00 2.07 C ATOM 1265 CG PRO A 90 3.163 -1.950 -3.594 1.00 2.09 C ATOM 1266 CD PRO A 90 4.439 -1.947 -4.419 1.00 1.62 C ATOM 0 HA PRO A 90 2.723 -3.746 -6.330 1.00 1.64 H new ATOM 0 HB2 PRO A 90 1.218 -2.661 -4.228 1.00 2.07 H new ATOM 0 HB3 PRO A 90 2.396 -3.936 -3.987 1.00 2.07 H new ATOM 0 HG2 PRO A 90 2.720 -0.956 -3.532 1.00 2.09 H new ATOM 0 HG3 PRO A 90 3.344 -2.283 -2.572 1.00 2.09 H new ATOM 0 HD2 PRO A 90 4.929 -0.975 -4.367 1.00 1.62 H new ATOM 0 HD3 PRO A 90 5.147 -2.682 -4.035 1.00 1.62 H new ATOM 1274 N TRP A 91 2.078 -0.799 -7.157 1.00 1.91 N ATOM 1275 CA TRP A 91 1.135 0.209 -7.664 1.00 2.29 C ATOM 1276 C TRP A 91 -0.028 0.472 -6.672 1.00 2.93 C ATOM 1277 O TRP A 91 0.118 0.271 -5.471 1.00 3.62 O ATOM 1278 CB TRP A 91 0.705 -0.120 -9.117 1.00 2.28 C ATOM 1279 CG TRP A 91 0.036 -1.440 -9.379 1.00 2.12 C ATOM 1280 CD1 TRP A 91 -1.161 -1.852 -8.892 1.00 2.00 C ATOM 1281 CD2 TRP A 91 0.586 -2.603 -10.076 1.00 2.54 C ATOM 1282 NE1 TRP A 91 -1.335 -3.199 -9.132 1.00 2.17 N ATOM 1283 CE2 TRP A 91 -0.330 -3.689 -9.935 1.00 2.66 C ATOM 1284 CE3 TRP A 91 1.797 -2.881 -10.749 1.00 3.14 C ATOM 1285 CZ2 TRP A 91 -0.084 -4.956 -10.480 1.00 3.42 C ATOM 1286 CZ3 TRP A 91 2.049 -4.145 -11.317 1.00 3.92 C ATOM 1287 CH2 TRP A 91 1.101 -5.179 -11.202 1.00 4.10 C ATOM 0 H TRP A 91 3.055 -0.528 -7.263 1.00 1.91 H new ATOM 0 HA TRP A 91 1.645 1.171 -7.726 1.00 2.29 H new ATOM 0 HB2 TRP A 91 0.029 0.668 -9.450 1.00 2.28 H new ATOM 0 HB3 TRP A 91 1.593 -0.066 -9.747 1.00 2.28 H new ATOM 0 HD1 TRP A 91 -1.875 -1.217 -8.389 1.00 2.00 H new ATOM 0 HE1 TRP A 91 -2.105 -3.757 -8.764 1.00 2.17 H new ATOM 0 HE3 TRP A 91 2.546 -2.107 -10.830 1.00 3.14 H new ATOM 0 HZ2 TRP A 91 -0.799 -5.754 -10.346 1.00 3.42 H new ATOM 0 HZ3 TRP A 91 2.975 -4.322 -11.844 1.00 3.92 H new ATOM 0 HH2 TRP A 91 1.283 -6.137 -11.665 1.00 4.10 H new ATOM 1298 N LEU A 92 -1.152 0.987 -7.189 1.00 3.26 N ATOM 1299 CA LEU A 92 -2.521 1.096 -6.624 1.00 4.26 C ATOM 1300 C LEU A 92 -3.360 2.006 -7.553 1.00 3.84 C ATOM 1301 O LEU A 92 -4.001 2.960 -7.111 1.00 4.58 O ATOM 1302 CB LEU A 92 -2.598 1.425 -5.100 1.00 6.00 C ATOM 1303 CG LEU A 92 -2.041 2.805 -4.719 1.00 6.21 C ATOM 1304 CD1 LEU A 92 -3.084 3.777 -4.148 1.00 7.38 C ATOM 1305 CD2 LEU A 92 -0.978 2.730 -3.600 1.00 7.62 C ATOM 0 H LEU A 92 -1.129 1.388 -8.127 1.00 3.26 H new ATOM 0 HA LEU A 92 -2.973 0.104 -6.618 1.00 4.26 H new ATOM 0 HB2 LEU A 92 -3.638 1.366 -4.780 1.00 6.00 H new ATOM 0 HB3 LEU A 92 -2.051 0.661 -4.548 1.00 6.00 H new ATOM 0 HG LEU A 92 -1.644 3.157 -5.671 1.00 6.21 H new ATOM 0 HD11 LEU A 92 -2.604 4.725 -3.907 1.00 7.38 H new ATOM 0 HD12 LEU A 92 -3.868 3.945 -4.887 1.00 7.38 H new ATOM 0 HD13 LEU A 92 -3.522 3.352 -3.245 1.00 7.38 H new ATOM 0 HD21 LEU A 92 -0.619 3.733 -3.371 1.00 7.62 H new ATOM 0 HD22 LEU A 92 -1.421 2.290 -2.706 1.00 7.62 H new ATOM 0 HD23 LEU A 92 -0.143 2.113 -3.932 1.00 7.62 H new ATOM 1317 N THR A 93 -3.316 1.716 -8.865 1.00 3.06 N ATOM 1318 CA THR A 93 -3.903 2.479 -9.989 1.00 2.86 C ATOM 1319 C THR A 93 -4.421 1.529 -11.068 1.00 2.03 C ATOM 1320 O THR A 93 -4.453 0.318 -10.885 1.00 2.46 O ATOM 1321 CB THR A 93 -2.881 3.519 -10.492 1.00 3.86 C ATOM 1322 OG1 THR A 93 -3.433 4.356 -11.478 1.00 4.16 O ATOM 1323 CG2 THR A 93 -1.594 2.922 -11.065 1.00 4.63 C ATOM 0 H THR A 93 -2.834 0.880 -9.196 1.00 3.06 H new ATOM 0 HA THR A 93 -4.777 3.041 -9.658 1.00 2.86 H new ATOM 0 HB THR A 93 -2.625 4.081 -9.594 1.00 3.86 H new ATOM 0 HG1 THR A 93 -2.759 5.003 -11.773 1.00 4.16 H new ATOM 0 HG21 THR A 93 -0.935 3.726 -11.394 1.00 4.63 H new ATOM 0 HG22 THR A 93 -1.093 2.333 -10.297 1.00 4.63 H new ATOM 0 HG23 THR A 93 -1.836 2.282 -11.913 1.00 4.63 H new ATOM 1331 N ILE A 94 -4.888 2.118 -12.160 1.00 1.70 N ATOM 1332 CA ILE A 94 -5.490 1.528 -13.364 1.00 2.19 C ATOM 1333 C ILE A 94 -6.516 0.384 -13.174 1.00 1.74 C ATOM 1334 O ILE A 94 -6.447 -0.654 -13.837 1.00 3.39 O ATOM 1335 CB ILE A 94 -4.402 1.384 -14.457 1.00 4.75 C ATOM 1336 CG1 ILE A 94 -4.999 1.257 -15.875 1.00 6.24 C ATOM 1337 CG2 ILE A 94 -3.379 0.272 -14.154 1.00 6.15 C ATOM 1338 CD1 ILE A 94 -3.972 1.497 -16.987 1.00 8.37 C ATOM 0 H ILE A 94 -4.854 3.134 -12.240 1.00 1.70 H new ATOM 0 HA ILE A 94 -6.226 2.233 -13.751 1.00 2.19 H new ATOM 0 HB ILE A 94 -3.842 2.319 -14.436 1.00 4.75 H new ATOM 0 HG12 ILE A 94 -5.427 0.262 -15.994 1.00 6.24 H new ATOM 0 HG13 ILE A 94 -5.816 1.971 -15.983 1.00 6.24 H new ATOM 0 HG21 ILE A 94 -2.645 0.224 -14.958 1.00 6.15 H new ATOM 0 HG22 ILE A 94 -2.873 0.490 -13.213 1.00 6.15 H new ATOM 0 HG23 ILE A 94 -3.895 -0.685 -14.076 1.00 6.15 H new ATOM 0 HD11 ILE A 94 -4.456 1.393 -17.958 1.00 8.37 H new ATOM 0 HD12 ILE A 94 -3.561 2.502 -16.892 1.00 8.37 H new ATOM 0 HD13 ILE A 94 -3.167 0.767 -16.903 1.00 8.37 H new ATOM 1350 N PRO A 95 -7.576 0.609 -12.360 1.00 2.23 N ATOM 1351 CA PRO A 95 -8.678 -0.329 -12.158 1.00 3.53 C ATOM 1352 C PRO A 95 -9.709 -0.298 -13.301 1.00 2.38 C ATOM 1353 O PRO A 95 -10.878 0.043 -13.103 1.00 2.69 O ATOM 1354 CB PRO A 95 -9.304 0.109 -10.837 1.00 5.65 C ATOM 1355 CG PRO A 95 -9.205 1.631 -10.927 1.00 5.77 C ATOM 1356 CD PRO A 95 -7.792 1.774 -11.498 1.00 3.95 C ATOM 0 HA PRO A 95 -8.324 -1.360 -12.142 1.00 3.53 H new ATOM 0 HB2 PRO A 95 -10.336 -0.228 -10.743 1.00 5.65 H new ATOM 0 HB3 PRO A 95 -8.761 -0.285 -9.978 1.00 5.65 H new ATOM 0 HG2 PRO A 95 -9.964 2.060 -11.581 1.00 5.77 H new ATOM 0 HG3 PRO A 95 -9.312 2.113 -9.956 1.00 5.77 H new ATOM 0 HD2 PRO A 95 -7.694 2.700 -12.064 1.00 3.95 H new ATOM 0 HD3 PRO A 95 -7.052 1.809 -10.699 1.00 3.95 H new ATOM 1364 N ALA A 96 -9.295 -0.692 -14.505 1.00 2.64 N ATOM 1365 CA ALA A 96 -10.207 -0.899 -15.628 1.00 3.07 C ATOM 1366 C ALA A 96 -10.922 -2.247 -15.427 1.00 3.26 C ATOM 1367 O ALA A 96 -10.414 -3.294 -15.834 1.00 4.67 O ATOM 1368 CB ALA A 96 -9.393 -0.825 -16.931 1.00 4.29 C ATOM 0 H ALA A 96 -8.317 -0.877 -14.729 1.00 2.64 H new ATOM 0 HA ALA A 96 -10.978 -0.131 -15.686 1.00 3.07 H new ATOM 0 HB1 ALA A 96 -10.056 -0.977 -17.783 1.00 4.29 H new ATOM 0 HB2 ALA A 96 -8.920 0.154 -17.009 1.00 4.29 H new ATOM 0 HB3 ALA A 96 -8.626 -1.599 -16.925 1.00 4.29 H new ATOM 1374 N ARG A 97 -12.056 -2.234 -14.711 1.00 2.30 N ATOM 1375 CA ARG A 97 -12.922 -3.386 -14.377 1.00 2.24 C ATOM 1376 C ARG A 97 -12.297 -4.411 -13.394 1.00 2.20 C ATOM 1377 O ARG A 97 -13.030 -5.104 -12.690 1.00 2.48 O ATOM 1378 CB ARG A 97 -13.464 -4.003 -15.690 1.00 2.41 C ATOM 1379 CG ARG A 97 -14.472 -5.154 -15.522 1.00 2.97 C ATOM 1380 CD ARG A 97 -15.255 -5.432 -16.819 1.00 2.97 C ATOM 1381 NE ARG A 97 -16.235 -4.361 -17.073 1.00 2.92 N ATOM 1382 CZ ARG A 97 -16.460 -3.678 -18.187 1.00 3.82 C ATOM 1383 NH1 ARG A 97 -15.949 -3.976 -19.362 1.00 4.37 N ATOM 1384 NH2 ARG A 97 -17.259 -2.642 -18.114 1.00 5.07 N ATOM 0 H ARG A 97 -12.421 -1.364 -14.322 1.00 2.30 H new ATOM 0 HA ARG A 97 -13.766 -3.015 -13.795 1.00 2.24 H new ATOM 0 HB2 ARG A 97 -13.937 -3.213 -16.273 1.00 2.41 H new ATOM 0 HB3 ARG A 97 -12.619 -4.367 -16.274 1.00 2.41 H new ATOM 0 HG2 ARG A 97 -13.943 -6.057 -15.218 1.00 2.97 H new ATOM 0 HG3 ARG A 97 -15.171 -4.909 -14.722 1.00 2.97 H new ATOM 0 HD2 ARG A 97 -14.564 -5.506 -17.659 1.00 2.97 H new ATOM 0 HD3 ARG A 97 -15.768 -6.391 -16.742 1.00 2.97 H new ATOM 0 HE ARG A 97 -16.824 -4.109 -16.279 1.00 2.92 H new ATOM 0 HH11 ARG A 97 -15.332 -4.782 -19.460 1.00 4.37 H new ATOM 0 HH12 ARG A 97 -16.170 -3.401 -20.175 1.00 4.37 H new ATOM 0 HH21 ARG A 97 -17.683 -2.387 -17.222 1.00 5.07 H new ATOM 0 HH22 ARG A 97 -17.457 -2.091 -18.949 1.00 5.07 H new ATOM 1398 N GLY A 98 -10.971 -4.427 -13.237 1.00 2.19 N ATOM 1399 CA GLY A 98 -10.259 -5.299 -12.297 1.00 2.19 C ATOM 1400 C GLY A 98 -10.468 -4.939 -10.835 1.00 2.21 C ATOM 1401 O GLY A 98 -10.835 -5.794 -10.036 1.00 3.50 O ATOM 0 H GLY A 98 -10.348 -3.821 -13.771 1.00 2.19 H new ATOM 0 HA2 GLY A 98 -10.582 -6.328 -12.456 1.00 2.19 H new ATOM 0 HA3 GLY A 98 -9.193 -5.262 -12.520 1.00 2.19 H new ATOM 1405 N THR A 99 -10.200 -3.659 -10.544 1.00 1.46 N ATOM 1406 CA THR A 99 -9.968 -3.037 -9.231 1.00 1.55 C ATOM 1407 C THR A 99 -8.523 -3.298 -8.820 1.00 1.35 C ATOM 1408 O THR A 99 -8.109 -4.438 -8.624 1.00 1.56 O ATOM 1409 CB THR A 99 -11.002 -3.431 -8.164 1.00 2.14 C ATOM 1410 OG1 THR A 99 -12.237 -2.877 -8.564 1.00 2.97 O ATOM 1411 CG2 THR A 99 -10.676 -2.832 -6.799 1.00 2.78 C ATOM 0 H THR A 99 -10.134 -2.967 -11.291 1.00 1.46 H new ATOM 0 HA THR A 99 -10.116 -1.961 -9.321 1.00 1.55 H new ATOM 0 HB THR A 99 -11.014 -4.517 -8.077 1.00 2.14 H new ATOM 0 HG1 THR A 99 -12.927 -3.108 -7.908 1.00 2.97 H new ATOM 0 HG21 THR A 99 -11.434 -3.137 -6.077 1.00 2.78 H new ATOM 0 HG22 THR A 99 -9.699 -3.185 -6.471 1.00 2.78 H new ATOM 0 HG23 THR A 99 -10.663 -1.745 -6.873 1.00 2.78 H new ATOM 1419 N LEU A 100 -7.758 -2.205 -8.688 1.00 1.27 N ATOM 1420 CA LEU A 100 -6.459 -2.180 -8.014 1.00 1.28 C ATOM 1421 C LEU A 100 -6.626 -2.907 -6.663 1.00 1.22 C ATOM 1422 O LEU A 100 -7.390 -2.482 -5.790 1.00 1.35 O ATOM 1423 CB LEU A 100 -5.935 -0.721 -7.859 1.00 1.70 C ATOM 1424 CG LEU A 100 -6.861 0.183 -7.021 1.00 3.51 C ATOM 1425 CD1 LEU A 100 -6.270 0.374 -5.630 1.00 4.64 C ATOM 1426 CD2 LEU A 100 -7.068 1.544 -7.686 1.00 4.47 C ATOM 0 H LEU A 100 -8.035 -1.295 -9.056 1.00 1.27 H new ATOM 0 HA LEU A 100 -5.702 -2.695 -8.605 1.00 1.28 H new ATOM 0 HB2 LEU A 100 -4.949 -0.746 -7.395 1.00 1.70 H new ATOM 0 HB3 LEU A 100 -5.811 -0.282 -8.849 1.00 1.70 H new ATOM 0 HG LEU A 100 -7.832 -0.306 -6.947 1.00 3.51 H new ATOM 0 HD11 LEU A 100 -6.927 1.013 -5.040 1.00 4.64 H new ATOM 0 HD12 LEU A 100 -6.171 -0.595 -5.140 1.00 4.64 H new ATOM 0 HD13 LEU A 100 -5.288 0.840 -5.713 1.00 4.64 H new ATOM 0 HD21 LEU A 100 -7.726 2.155 -7.068 1.00 4.47 H new ATOM 0 HD22 LEU A 100 -6.106 2.045 -7.797 1.00 4.47 H new ATOM 0 HD23 LEU A 100 -7.520 1.404 -8.668 1.00 4.47 H new ATOM 1438 N THR A 101 -5.948 -4.045 -6.527 1.00 1.29 N ATOM 1439 CA THR A 101 -5.874 -4.794 -5.272 1.00 1.32 C ATOM 1440 C THR A 101 -4.695 -4.232 -4.478 1.00 1.15 C ATOM 1441 O THR A 101 -3.835 -3.587 -5.059 1.00 2.13 O ATOM 1442 CB THR A 101 -5.779 -6.291 -5.595 1.00 2.16 C ATOM 1443 OG1 THR A 101 -6.978 -6.628 -6.266 1.00 3.01 O ATOM 1444 CG2 THR A 101 -5.712 -7.196 -4.365 1.00 2.69 C ATOM 0 H THR A 101 -5.429 -4.478 -7.291 1.00 1.29 H new ATOM 0 HA THR A 101 -6.762 -4.685 -4.649 1.00 1.32 H new ATOM 0 HB THR A 101 -4.864 -6.445 -6.167 1.00 2.16 H new ATOM 0 HG1 THR A 101 -6.967 -7.580 -6.498 1.00 3.01 H new ATOM 0 HG21 THR A 101 -5.647 -8.237 -4.682 1.00 2.69 H new ATOM 0 HG22 THR A 101 -4.833 -6.941 -3.773 1.00 2.69 H new ATOM 0 HG23 THR A 101 -6.609 -7.056 -3.761 1.00 2.69 H new ATOM 1452 N LEU A 102 -4.691 -4.428 -3.161 1.00 1.06 N ATOM 1453 CA LEU A 102 -3.628 -4.073 -2.235 1.00 1.50 C ATOM 1454 C LEU A 102 -3.855 -4.954 -0.986 1.00 1.18 C ATOM 1455 O LEU A 102 -4.212 -4.502 0.105 1.00 1.21 O ATOM 1456 CB LEU A 102 -3.646 -2.543 -2.043 1.00 2.47 C ATOM 1457 CG LEU A 102 -2.575 -2.030 -1.081 1.00 3.34 C ATOM 1458 CD1 LEU A 102 -1.133 -2.280 -1.549 1.00 3.84 C ATOM 1459 CD2 LEU A 102 -2.767 -0.524 -0.827 1.00 4.43 C ATOM 0 H LEU A 102 -5.481 -4.866 -2.687 1.00 1.06 H new ATOM 0 HA LEU A 102 -2.612 -4.276 -2.573 1.00 1.50 H new ATOM 0 HB2 LEU A 102 -3.511 -2.063 -3.012 1.00 2.47 H new ATOM 0 HB3 LEU A 102 -4.627 -2.244 -1.673 1.00 2.47 H new ATOM 0 HG LEU A 102 -2.710 -2.603 -0.163 1.00 3.34 H new ATOM 0 HD11 LEU A 102 -0.437 -1.885 -0.809 1.00 3.84 H new ATOM 0 HD12 LEU A 102 -0.969 -3.351 -1.666 1.00 3.84 H new ATOM 0 HD13 LEU A 102 -0.969 -1.781 -2.504 1.00 3.84 H new ATOM 0 HD21 LEU A 102 -1.998 -0.170 -0.140 1.00 4.43 H new ATOM 0 HD22 LEU A 102 -2.688 0.017 -1.770 1.00 4.43 H new ATOM 0 HD23 LEU A 102 -3.751 -0.351 -0.391 1.00 4.43 H new ATOM 1471 N GLN A 103 -3.802 -6.267 -1.182 1.00 1.12 N ATOM 1472 CA GLN A 103 -4.124 -7.269 -0.160 1.00 1.13 C ATOM 1473 C GLN A 103 -3.042 -8.346 -0.110 1.00 1.17 C ATOM 1474 O GLN A 103 -2.389 -8.619 -1.113 1.00 1.24 O ATOM 1475 CB GLN A 103 -5.453 -7.979 -0.498 1.00 1.41 C ATOM 1476 CG GLN A 103 -6.712 -7.094 -0.576 1.00 1.74 C ATOM 1477 CD GLN A 103 -7.197 -6.645 0.804 1.00 1.87 C ATOM 1478 OE1 GLN A 103 -8.134 -7.192 1.377 1.00 2.13 O ATOM 1479 NE2 GLN A 103 -6.566 -5.667 1.421 1.00 3.19 N ATOM 0 H GLN A 103 -3.528 -6.678 -2.074 1.00 1.12 H new ATOM 0 HA GLN A 103 -4.197 -6.748 0.795 1.00 1.13 H new ATOM 0 HB2 GLN A 103 -5.334 -8.486 -1.456 1.00 1.41 H new ATOM 0 HB3 GLN A 103 -5.626 -8.751 0.252 1.00 1.41 H new ATOM 0 HG2 GLN A 103 -6.498 -6.216 -1.186 1.00 1.74 H new ATOM 0 HG3 GLN A 103 -7.509 -7.644 -1.077 1.00 1.74 H new ATOM 0 HE21 GLN A 103 -5.784 -5.197 0.965 1.00 3.19 H new ATOM 0 HE22 GLN A 103 -6.859 -5.380 2.355 1.00 3.19 H new ATOM 1488 N ARG A 104 -2.936 -9.057 1.021 1.00 1.30 N ATOM 1489 CA ARG A 104 -2.079 -10.246 1.139 1.00 1.54 C ATOM 1490 C ARG A 104 -2.356 -11.322 0.074 1.00 1.79 C ATOM 1491 O ARG A 104 -1.525 -12.209 -0.083 1.00 2.12 O ATOM 1492 CB ARG A 104 -2.187 -10.842 2.561 1.00 1.74 C ATOM 1493 CG ARG A 104 -3.562 -11.425 2.950 1.00 3.03 C ATOM 1494 CD ARG A 104 -3.776 -12.901 2.575 1.00 3.92 C ATOM 1495 NE ARG A 104 -5.098 -13.341 3.052 1.00 5.01 N ATOM 1496 CZ ARG A 104 -5.396 -14.230 3.990 1.00 5.44 C ATOM 1497 NH1 ARG A 104 -4.492 -14.926 4.640 1.00 4.90 N ATOM 1498 NH2 ARG A 104 -6.651 -14.358 4.346 1.00 6.93 N ATOM 0 H ARG A 104 -3.440 -8.826 1.877 1.00 1.30 H new ATOM 0 HA ARG A 104 -1.059 -9.908 0.958 1.00 1.54 H new ATOM 0 HB2 ARG A 104 -1.440 -11.629 2.661 1.00 1.74 H new ATOM 0 HB3 ARG A 104 -1.928 -10.064 3.280 1.00 1.74 H new ATOM 0 HG2 ARG A 104 -3.693 -11.317 4.027 1.00 3.03 H new ATOM 0 HG3 ARG A 104 -4.340 -10.829 2.473 1.00 3.03 H new ATOM 0 HD2 ARG A 104 -3.707 -13.027 1.494 1.00 3.92 H new ATOM 0 HD3 ARG A 104 -2.994 -13.517 3.018 1.00 3.92 H new ATOM 0 HE ARG A 104 -5.897 -12.900 2.597 1.00 5.01 H new ATOM 0 HH11 ARG A 104 -3.502 -14.796 4.433 1.00 4.90 H new ATOM 0 HH12 ARG A 104 -4.780 -15.597 5.352 1.00 4.90 H new ATOM 0 HH21 ARG A 104 -7.368 -13.782 3.904 1.00 6.93 H new ATOM 0 HH22 ARG A 104 -6.911 -15.033 5.065 1.00 6.93 H new ATOM 1512 N ASP A 105 -3.501 -11.275 -0.626 1.00 1.83 N ATOM 1513 CA ASP A 105 -3.875 -12.246 -1.651 1.00 2.08 C ATOM 1514 C ASP A 105 -3.273 -11.954 -3.040 1.00 1.97 C ATOM 1515 O ASP A 105 -3.537 -12.706 -3.982 1.00 2.33 O ATOM 1516 CB ASP A 105 -5.395 -12.478 -1.672 1.00 2.41 C ATOM 1517 CG ASP A 105 -6.212 -11.615 -2.635 1.00 3.44 C ATOM 1518 OD1 ASP A 105 -6.068 -10.381 -2.624 1.00 4.35 O ATOM 1519 OD2 ASP A 105 -7.033 -12.200 -3.378 1.00 4.62 O ATOM 0 H ASP A 105 -4.201 -10.546 -0.488 1.00 1.83 H new ATOM 0 HA ASP A 105 -3.415 -13.192 -1.365 1.00 2.08 H new ATOM 0 HB2 ASP A 105 -5.575 -13.525 -1.918 1.00 2.41 H new ATOM 0 HB3 ASP A 105 -5.777 -12.317 -0.664 1.00 2.41 H new ATOM 1524 N GLY A 106 -2.458 -10.900 -3.179 1.00 1.75 N ATOM 1525 CA GLY A 106 -1.699 -10.645 -4.406 1.00 1.87 C ATOM 1526 C GLY A 106 -0.730 -9.463 -4.388 1.00 2.07 C ATOM 1527 O GLY A 106 0.232 -9.487 -5.152 1.00 2.52 O ATOM 0 H GLY A 106 -2.308 -10.205 -2.448 1.00 1.75 H new ATOM 0 HA2 GLY A 106 -1.132 -11.544 -4.647 1.00 1.87 H new ATOM 0 HA3 GLY A 106 -2.409 -10.489 -5.218 1.00 1.87 H new ATOM 1531 N ASP A 107 -0.945 -8.453 -3.535 1.00 2.05 N ATOM 1532 CA ASP A 107 -0.444 -7.084 -3.717 1.00 2.66 C ATOM 1533 C ASP A 107 -0.223 -6.397 -2.352 1.00 1.83 C ATOM 1534 O ASP A 107 -1.183 -6.083 -1.660 1.00 1.80 O ATOM 1535 CB ASP A 107 -1.513 -6.355 -4.568 1.00 3.93 C ATOM 1536 CG ASP A 107 -1.104 -4.978 -5.098 1.00 5.42 C ATOM 1537 OD1 ASP A 107 -0.697 -4.137 -4.251 1.00 6.25 O ATOM 1538 OD2 ASP A 107 -1.168 -4.812 -6.333 1.00 6.18 O ATOM 0 H ASP A 107 -1.486 -8.568 -2.678 1.00 2.05 H new ATOM 0 HA ASP A 107 0.524 -7.066 -4.217 1.00 2.66 H new ATOM 0 HB2 ASP A 107 -1.773 -6.989 -5.416 1.00 3.93 H new ATOM 0 HB3 ASP A 107 -2.415 -6.241 -3.967 1.00 3.93 H new ATOM 1543 N HIS A 108 1.012 -6.160 -1.894 1.00 1.55 N ATOM 1544 CA HIS A 108 1.218 -5.547 -0.570 1.00 1.07 C ATOM 1545 C HIS A 108 2.570 -4.848 -0.327 1.00 0.97 C ATOM 1546 O HIS A 108 3.550 -5.039 -1.048 1.00 1.21 O ATOM 1547 CB HIS A 108 0.933 -6.589 0.536 1.00 1.09 C ATOM 1548 CG HIS A 108 1.990 -7.652 0.700 1.00 1.54 C ATOM 1549 ND1 HIS A 108 3.082 -7.599 1.539 1.00 2.02 N ATOM 1550 CD2 HIS A 108 2.015 -8.875 0.085 1.00 2.78 C ATOM 1551 CE1 HIS A 108 3.753 -8.759 1.419 1.00 2.44 C ATOM 1552 NE2 HIS A 108 3.135 -9.577 0.551 1.00 3.06 N ATOM 0 H HIS A 108 1.868 -6.376 -2.405 1.00 1.55 H new ATOM 0 HA HIS A 108 0.503 -4.725 -0.537 1.00 1.07 H new ATOM 0 HB2 HIS A 108 0.815 -6.066 1.485 1.00 1.09 H new ATOM 0 HB3 HIS A 108 -0.018 -7.075 0.320 1.00 1.09 H new ATOM 0 HD2 HIS A 108 1.296 -9.236 -0.635 1.00 2.78 H new ATOM 0 HE1 HIS A 108 4.663 -8.999 1.948 1.00 2.44 H new ATOM 0 HE2 HIS A 108 3.423 -10.519 0.285 1.00 3.06 H new ATOM 1560 N VAL A 109 2.622 -4.091 0.778 1.00 0.92 N ATOM 1561 CA VAL A 109 3.863 -3.593 1.391 1.00 0.97 C ATOM 1562 C VAL A 109 4.088 -4.326 2.721 1.00 1.02 C ATOM 1563 O VAL A 109 3.150 -4.622 3.462 1.00 1.21 O ATOM 1564 CB VAL A 109 3.853 -2.047 1.539 1.00 1.31 C ATOM 1565 CG1 VAL A 109 4.916 -1.488 2.503 1.00 3.31 C ATOM 1566 CG2 VAL A 109 4.039 -1.365 0.180 1.00 1.68 C ATOM 0 H VAL A 109 1.784 -3.801 1.282 1.00 0.92 H new ATOM 0 HA VAL A 109 4.708 -3.808 0.737 1.00 0.97 H new ATOM 0 HB VAL A 109 2.875 -1.823 1.965 1.00 1.31 H new ATOM 0 HG11 VAL A 109 4.835 -0.402 2.544 1.00 3.31 H new ATOM 0 HG12 VAL A 109 4.757 -1.901 3.499 1.00 3.31 H new ATOM 0 HG13 VAL A 109 5.909 -1.765 2.149 1.00 3.31 H new ATOM 0 HG21 VAL A 109 4.028 -0.283 0.311 1.00 1.68 H new ATOM 0 HG22 VAL A 109 4.993 -1.669 -0.252 1.00 1.68 H new ATOM 0 HG23 VAL A 109 3.229 -1.657 -0.488 1.00 1.68 H new ATOM 1576 N MET A 110 5.355 -4.617 3.008 1.00 1.02 N ATOM 1577 CA MET A 110 5.894 -5.044 4.301 1.00 1.06 C ATOM 1578 C MET A 110 7.001 -4.072 4.725 1.00 1.06 C ATOM 1579 O MET A 110 7.851 -3.675 3.930 1.00 1.15 O ATOM 1580 CB MET A 110 6.371 -6.500 4.209 1.00 1.20 C ATOM 1581 CG MET A 110 6.822 -7.057 5.561 1.00 1.87 C ATOM 1582 SD MET A 110 7.099 -8.842 5.529 1.00 1.94 S ATOM 1583 CE MET A 110 7.636 -9.083 7.244 1.00 2.64 C ATOM 0 H MET A 110 6.083 -4.557 2.296 1.00 1.02 H new ATOM 0 HA MET A 110 5.124 -5.017 5.072 1.00 1.06 H new ATOM 0 HB2 MET A 110 5.564 -7.119 3.816 1.00 1.20 H new ATOM 0 HB3 MET A 110 7.196 -6.564 3.500 1.00 1.20 H new ATOM 0 HG2 MET A 110 7.741 -6.557 5.866 1.00 1.87 H new ATOM 0 HG3 MET A 110 6.068 -6.825 6.314 1.00 1.87 H new ATOM 0 HE1 MET A 110 7.854 -10.138 7.412 1.00 2.64 H new ATOM 0 HE2 MET A 110 8.533 -8.493 7.431 1.00 2.64 H new ATOM 0 HE3 MET A 110 6.844 -8.764 7.922 1.00 2.64 H new ATOM 1593 N LEU A 111 6.949 -3.629 5.976 1.00 1.02 N ATOM 1594 CA LEU A 111 7.783 -2.566 6.517 1.00 1.00 C ATOM 1595 C LEU A 111 8.858 -3.208 7.395 1.00 1.03 C ATOM 1596 O LEU A 111 8.641 -3.375 8.598 1.00 1.08 O ATOM 1597 CB LEU A 111 6.904 -1.589 7.324 1.00 1.01 C ATOM 1598 CG LEU A 111 5.828 -0.783 6.570 1.00 1.12 C ATOM 1599 CD1 LEU A 111 4.513 -1.559 6.378 1.00 2.36 C ATOM 1600 CD2 LEU A 111 5.504 0.492 7.369 1.00 2.05 C ATOM 0 H LEU A 111 6.302 -4.014 6.664 1.00 1.02 H new ATOM 0 HA LEU A 111 8.266 -1.999 5.721 1.00 1.00 H new ATOM 0 HB2 LEU A 111 6.405 -2.160 8.107 1.00 1.01 H new ATOM 0 HB3 LEU A 111 7.565 -0.879 7.820 1.00 1.01 H new ATOM 0 HG LEU A 111 6.237 -0.561 5.584 1.00 1.12 H new ATOM 0 HD11 LEU A 111 3.798 -0.936 5.841 1.00 2.36 H new ATOM 0 HD12 LEU A 111 4.706 -2.466 5.805 1.00 2.36 H new ATOM 0 HD13 LEU A 111 4.102 -1.825 7.352 1.00 2.36 H new ATOM 0 HD21 LEU A 111 4.743 1.068 6.842 1.00 2.05 H new ATOM 0 HD22 LEU A 111 5.133 0.218 8.356 1.00 2.05 H new ATOM 0 HD23 LEU A 111 6.406 1.094 7.475 1.00 2.05 H new ATOM 1612 N MET A 112 9.981 -3.606 6.792 1.00 1.07 N ATOM 1613 CA MET A 112 11.024 -4.346 7.500 1.00 1.15 C ATOM 1614 C MET A 112 11.974 -3.403 8.251 1.00 1.20 C ATOM 1615 O MET A 112 12.518 -2.456 7.666 1.00 1.27 O ATOM 1616 CB MET A 112 11.772 -5.278 6.533 1.00 1.31 C ATOM 1617 CG MET A 112 12.396 -6.479 7.249 1.00 1.68 C ATOM 1618 SD MET A 112 13.551 -7.424 6.228 1.00 2.14 S ATOM 1619 CE MET A 112 13.445 -9.022 7.078 1.00 3.04 C ATOM 0 H MET A 112 10.190 -3.426 5.810 1.00 1.07 H new ATOM 0 HA MET A 112 10.549 -4.970 8.257 1.00 1.15 H new ATOM 0 HB2 MET A 112 11.082 -5.633 5.767 1.00 1.31 H new ATOM 0 HB3 MET A 112 12.554 -4.716 6.022 1.00 1.31 H new ATOM 0 HG2 MET A 112 12.918 -6.128 8.139 1.00 1.68 H new ATOM 0 HG3 MET A 112 11.599 -7.142 7.587 1.00 1.68 H new ATOM 0 HE1 MET A 112 14.098 -9.741 6.584 1.00 3.04 H new ATOM 0 HE2 MET A 112 13.756 -8.903 8.116 1.00 3.04 H new ATOM 0 HE3 MET A 112 12.417 -9.384 7.046 1.00 3.04 H new ATOM 1629 N GLY A 113 12.203 -3.661 9.543 1.00 1.24 N ATOM 1630 CA GLY A 113 13.108 -2.853 10.376 1.00 1.33 C ATOM 1631 C GLY A 113 12.620 -1.412 10.562 1.00 1.19 C ATOM 1632 O GLY A 113 13.299 -0.472 10.154 1.00 1.52 O ATOM 0 H GLY A 113 11.767 -4.436 10.043 1.00 1.24 H new ATOM 0 HA2 GLY A 113 13.213 -3.325 11.353 1.00 1.33 H new ATOM 0 HA3 GLY A 113 14.098 -2.840 9.921 1.00 1.33 H new ATOM 1636 N LEU A 114 11.433 -1.250 11.141 1.00 1.08 N ATOM 1637 CA LEU A 114 10.814 -0.021 11.615 1.00 1.16 C ATOM 1638 C LEU A 114 11.541 0.572 12.844 1.00 1.39 C ATOM 1639 O LEU A 114 12.432 -0.035 13.431 1.00 2.32 O ATOM 1640 CB LEU A 114 9.338 -0.348 11.935 1.00 1.40 C ATOM 1641 CG LEU A 114 8.363 0.796 11.599 1.00 1.85 C ATOM 1642 CD1 LEU A 114 7.948 0.741 10.127 1.00 2.63 C ATOM 1643 CD2 LEU A 114 7.105 0.674 12.468 1.00 2.69 C ATOM 0 H LEU A 114 10.826 -2.053 11.304 1.00 1.08 H new ATOM 0 HA LEU A 114 10.882 0.746 10.844 1.00 1.16 H new ATOM 0 HB2 LEU A 114 9.044 -1.239 11.380 1.00 1.40 H new ATOM 0 HB3 LEU A 114 9.250 -0.589 12.994 1.00 1.40 H new ATOM 0 HG LEU A 114 8.868 1.742 11.794 1.00 1.85 H new ATOM 0 HD11 LEU A 114 7.259 1.558 9.912 1.00 2.63 H new ATOM 0 HD12 LEU A 114 8.832 0.836 9.496 1.00 2.63 H new ATOM 0 HD13 LEU A 114 7.457 -0.210 9.923 1.00 2.63 H new ATOM 0 HD21 LEU A 114 6.417 1.485 12.228 1.00 2.69 H new ATOM 0 HD22 LEU A 114 6.620 -0.283 12.274 1.00 2.69 H new ATOM 0 HD23 LEU A 114 7.383 0.733 13.520 1.00 2.69 H new ATOM 1655 N LYS A 115 11.120 1.766 13.263 1.00 1.08 N ATOM 1656 CA LYS A 115 11.796 2.569 14.306 1.00 1.53 C ATOM 1657 C LYS A 115 11.058 2.536 15.661 1.00 1.77 C ATOM 1658 O LYS A 115 11.679 2.582 16.718 1.00 2.46 O ATOM 1659 CB LYS A 115 11.969 4.032 13.821 1.00 1.83 C ATOM 1660 CG LYS A 115 12.287 4.137 12.320 1.00 2.12 C ATOM 1661 CD LYS A 115 12.621 5.550 11.815 1.00 2.59 C ATOM 1662 CE LYS A 115 12.394 5.495 10.300 1.00 2.93 C ATOM 1663 NZ LYS A 115 12.797 6.716 9.560 1.00 3.88 N ATOM 0 H LYS A 115 10.287 2.218 12.887 1.00 1.08 H new ATOM 0 HA LYS A 115 12.775 2.118 14.472 1.00 1.53 H new ATOM 0 HB2 LYS A 115 11.056 4.589 14.033 1.00 1.83 H new ATOM 0 HB3 LYS A 115 12.770 4.505 14.390 1.00 1.83 H new ATOM 0 HG2 LYS A 115 13.129 3.481 12.097 1.00 2.12 H new ATOM 0 HG3 LYS A 115 11.432 3.761 11.757 1.00 2.12 H new ATOM 0 HD2 LYS A 115 11.981 6.298 12.283 1.00 2.59 H new ATOM 0 HD3 LYS A 115 13.651 5.820 12.050 1.00 2.59 H new ATOM 0 HE2 LYS A 115 12.945 4.645 9.896 1.00 2.93 H new ATOM 0 HE3 LYS A 115 11.337 5.308 10.113 1.00 2.93 H new ATOM 0 HZ1 LYS A 115 12.484 6.642 8.571 1.00 3.88 H new ATOM 0 HZ2 LYS A 115 12.358 7.550 10.000 1.00 3.88 H new ATOM 0 HZ3 LYS A 115 13.832 6.814 9.589 1.00 3.88 H new ATOM 1677 N ARG A 116 9.719 2.444 15.617 1.00 1.60 N ATOM 1678 CA ARG A 116 8.755 2.489 16.735 1.00 1.96 C ATOM 1679 C ARG A 116 7.382 2.011 16.195 1.00 1.28 C ATOM 1680 O ARG A 116 6.936 2.600 15.206 1.00 1.08 O ATOM 1681 CB ARG A 116 8.638 3.934 17.296 1.00 2.66 C ATOM 1682 CG ARG A 116 9.463 4.196 18.575 1.00 4.14 C ATOM 1683 CD ARG A 116 10.045 5.618 18.672 1.00 4.58 C ATOM 1684 NE ARG A 116 9.022 6.674 18.851 1.00 3.96 N ATOM 1685 CZ ARG A 116 9.239 7.987 18.746 1.00 4.41 C ATOM 1686 NH1 ARG A 116 10.408 8.480 18.394 1.00 5.50 N ATOM 1687 NH2 ARG A 116 8.280 8.862 18.965 1.00 4.66 N ATOM 0 H ARG A 116 9.240 2.326 14.724 1.00 1.60 H new ATOM 0 HA ARG A 116 9.091 1.844 17.547 1.00 1.96 H new ATOM 0 HB2 ARG A 116 8.955 4.636 16.525 1.00 2.66 H new ATOM 0 HB3 ARG A 116 7.589 4.144 17.506 1.00 2.66 H new ATOM 0 HG2 ARG A 116 8.831 4.014 19.445 1.00 4.14 H new ATOM 0 HG3 ARG A 116 10.281 3.477 18.619 1.00 4.14 H new ATOM 0 HD2 ARG A 116 10.744 5.658 19.507 1.00 4.58 H new ATOM 0 HD3 ARG A 116 10.616 5.829 17.768 1.00 4.58 H new ATOM 0 HE ARG A 116 8.073 6.373 19.073 1.00 3.96 H new ATOM 0 HH11 ARG A 116 11.186 7.852 18.191 1.00 5.50 H new ATOM 0 HH12 ARG A 116 10.536 9.490 18.324 1.00 5.50 H new ATOM 0 HH21 ARG A 116 7.346 8.542 19.221 1.00 4.66 H new ATOM 0 HH22 ARG A 116 8.471 9.860 18.878 1.00 4.66 H new ATOM 1701 N PRO A 117 6.749 0.959 16.759 1.00 1.65 N ATOM 1702 CA PRO A 117 5.464 0.455 16.279 1.00 1.61 C ATOM 1703 C PRO A 117 4.306 1.385 16.661 1.00 1.24 C ATOM 1704 O PRO A 117 4.434 2.227 17.552 1.00 1.59 O ATOM 1705 CB PRO A 117 5.319 -0.944 16.883 1.00 2.66 C ATOM 1706 CG PRO A 117 6.120 -0.856 18.177 1.00 3.18 C ATOM 1707 CD PRO A 117 7.254 0.109 17.830 1.00 2.68 C ATOM 0 HA PRO A 117 5.431 0.413 15.190 1.00 1.61 H new ATOM 0 HB2 PRO A 117 4.275 -1.193 17.073 1.00 2.66 H new ATOM 0 HB3 PRO A 117 5.714 -1.712 16.218 1.00 2.66 H new ATOM 0 HG2 PRO A 117 5.512 -0.481 19.001 1.00 3.18 H new ATOM 0 HG3 PRO A 117 6.501 -1.831 18.480 1.00 3.18 H new ATOM 0 HD2 PRO A 117 7.539 0.704 18.698 1.00 2.68 H new ATOM 0 HD3 PRO A 117 8.143 -0.434 17.510 1.00 2.68 H new ATOM 1715 N LEU A 118 3.180 1.236 15.959 1.00 1.07 N ATOM 1716 CA LEU A 118 2.014 2.111 16.063 1.00 0.95 C ATOM 1717 C LEU A 118 0.744 1.350 16.464 1.00 1.01 C ATOM 1718 O LEU A 118 0.682 0.116 16.444 1.00 1.22 O ATOM 1719 CB LEU A 118 1.829 2.876 14.740 1.00 1.25 C ATOM 1720 CG LEU A 118 3.079 3.677 14.302 1.00 1.66 C ATOM 1721 CD1 LEU A 118 3.840 2.963 13.171 1.00 2.35 C ATOM 1722 CD2 LEU A 118 2.688 5.083 13.827 1.00 2.18 C ATOM 0 H LEU A 118 3.053 0.482 15.284 1.00 1.07 H new ATOM 0 HA LEU A 118 2.194 2.827 16.865 1.00 0.95 H new ATOM 0 HB2 LEU A 118 1.570 2.167 13.954 1.00 1.25 H new ATOM 0 HB3 LEU A 118 0.987 3.561 14.842 1.00 1.25 H new ATOM 0 HG LEU A 118 3.729 3.752 15.174 1.00 1.66 H new ATOM 0 HD11 LEU A 118 4.711 3.554 12.889 1.00 2.35 H new ATOM 0 HD12 LEU A 118 4.164 1.980 13.514 1.00 2.35 H new ATOM 0 HD13 LEU A 118 3.185 2.848 12.308 1.00 2.35 H new ATOM 0 HD21 LEU A 118 3.583 5.627 13.524 1.00 2.18 H new ATOM 0 HD22 LEU A 118 2.007 5.004 12.979 1.00 2.18 H new ATOM 0 HD23 LEU A 118 2.196 5.618 14.639 1.00 2.18 H new ATOM 1734 N LYS A 119 -0.269 2.119 16.879 1.00 1.04 N ATOM 1735 CA LYS A 119 -1.483 1.681 17.579 1.00 1.11 C ATOM 1736 C LYS A 119 -2.750 1.731 16.694 1.00 1.01 C ATOM 1737 O LYS A 119 -2.812 2.486 15.728 1.00 1.09 O ATOM 1738 CB LYS A 119 -1.605 2.590 18.823 1.00 1.51 C ATOM 1739 CG LYS A 119 -2.326 1.909 19.991 1.00 1.71 C ATOM 1740 CD LYS A 119 -2.185 2.716 21.288 1.00 2.30 C ATOM 1741 CE LYS A 119 -2.959 2.108 22.468 1.00 3.35 C ATOM 1742 NZ LYS A 119 -2.565 0.711 22.784 1.00 4.07 N ATOM 0 H LYS A 119 -0.263 3.127 16.726 1.00 1.04 H new ATOM 0 HA LYS A 119 -1.401 0.631 17.858 1.00 1.11 H new ATOM 0 HB2 LYS A 119 -0.608 2.893 19.145 1.00 1.51 H new ATOM 0 HB3 LYS A 119 -2.142 3.499 18.551 1.00 1.51 H new ATOM 0 HG2 LYS A 119 -3.382 1.790 19.748 1.00 1.71 H new ATOM 0 HG3 LYS A 119 -1.918 0.909 20.138 1.00 1.71 H new ATOM 0 HD2 LYS A 119 -1.130 2.786 21.552 1.00 2.30 H new ATOM 0 HD3 LYS A 119 -2.538 3.733 21.116 1.00 2.30 H new ATOM 0 HE2 LYS A 119 -2.804 2.728 23.351 1.00 3.35 H new ATOM 0 HE3 LYS A 119 -4.025 2.133 22.243 1.00 3.35 H new ATOM 0 HZ1 LYS A 119 -3.102 0.377 23.610 1.00 4.07 H new ATOM 0 HZ2 LYS A 119 -2.769 0.100 21.968 1.00 4.07 H new ATOM 0 HZ3 LYS A 119 -1.547 0.677 22.996 1.00 4.07 H new ATOM 1756 N VAL A 120 -3.785 0.960 17.041 1.00 1.16 N ATOM 1757 CA VAL A 120 -4.973 0.569 16.210 1.00 1.20 C ATOM 1758 C VAL A 120 -5.833 1.705 15.599 1.00 1.33 C ATOM 1759 O VAL A 120 -6.659 1.428 14.728 1.00 1.78 O ATOM 1760 CB VAL A 120 -5.843 -0.439 17.023 1.00 1.36 C ATOM 1761 CG1 VAL A 120 -7.251 -0.768 16.494 1.00 2.33 C ATOM 1762 CG2 VAL A 120 -5.089 -1.775 17.113 1.00 2.52 C ATOM 0 H VAL A 120 -3.837 0.553 17.975 1.00 1.16 H new ATOM 0 HA VAL A 120 -4.550 0.112 15.315 1.00 1.20 H new ATOM 0 HB VAL A 120 -6.000 0.075 17.971 1.00 1.36 H new ATOM 0 HG11 VAL A 120 -7.734 -1.481 17.163 1.00 2.33 H new ATOM 0 HG12 VAL A 120 -7.845 0.145 16.447 1.00 2.33 H new ATOM 0 HG13 VAL A 120 -7.173 -1.201 15.497 1.00 2.33 H new ATOM 0 HG21 VAL A 120 -5.684 -2.491 17.679 1.00 2.52 H new ATOM 0 HG22 VAL A 120 -4.913 -2.162 16.109 1.00 2.52 H new ATOM 0 HG23 VAL A 120 -4.134 -1.621 17.615 1.00 2.52 H new ATOM 1772 N GLY A 121 -5.627 2.969 15.988 1.00 1.30 N ATOM 1773 CA GLY A 121 -6.368 4.121 15.455 1.00 1.53 C ATOM 1774 C GLY A 121 -5.530 5.379 15.268 1.00 1.50 C ATOM 1775 O GLY A 121 -6.050 6.472 15.475 1.00 1.63 O ATOM 0 H GLY A 121 -4.933 3.225 16.690 1.00 1.30 H new ATOM 0 HA2 GLY A 121 -6.804 3.844 14.495 1.00 1.53 H new ATOM 0 HA3 GLY A 121 -7.195 4.347 16.127 1.00 1.53 H new ATOM 1779 N GLU A 122 -4.242 5.237 14.955 1.00 1.42 N ATOM 1780 CA GLU A 122 -3.250 6.317 14.940 1.00 1.35 C ATOM 1781 C GLU A 122 -2.924 6.779 13.498 1.00 1.40 C ATOM 1782 O GLU A 122 -3.125 6.018 12.542 1.00 1.49 O ATOM 1783 CB GLU A 122 -2.034 5.772 15.720 1.00 1.24 C ATOM 1784 CG GLU A 122 -1.087 6.836 16.274 1.00 1.29 C ATOM 1785 CD GLU A 122 -0.386 6.338 17.546 1.00 1.39 C ATOM 1786 OE1 GLU A 122 0.434 5.362 17.448 1.00 2.02 O ATOM 1787 OE2 GLU A 122 -0.687 6.833 18.637 1.00 2.27 O ATOM 0 H GLU A 122 -3.844 4.334 14.695 1.00 1.42 H new ATOM 0 HA GLU A 122 -3.619 7.225 15.417 1.00 1.35 H new ATOM 0 HB2 GLU A 122 -2.397 5.164 16.549 1.00 1.24 H new ATOM 0 HB3 GLU A 122 -1.468 5.111 15.064 1.00 1.24 H new ATOM 0 HG2 GLU A 122 -0.342 7.093 15.521 1.00 1.29 H new ATOM 0 HG3 GLU A 122 -1.645 7.746 16.494 1.00 1.29 H new ATOM 1794 N THR A 123 -2.454 8.025 13.326 1.00 1.50 N ATOM 1795 CA THR A 123 -2.058 8.599 12.018 1.00 1.67 C ATOM 1796 C THR A 123 -0.579 8.337 11.757 1.00 1.32 C ATOM 1797 O THR A 123 0.251 8.554 12.636 1.00 1.39 O ATOM 1798 CB THR A 123 -2.352 10.105 11.949 1.00 2.24 C ATOM 1799 OG1 THR A 123 -3.715 10.314 12.190 1.00 2.78 O ATOM 1800 CG2 THR A 123 -2.073 10.711 10.574 1.00 3.15 C ATOM 0 H THR A 123 -2.334 8.677 14.101 1.00 1.50 H new ATOM 0 HA THR A 123 -2.651 8.110 11.245 1.00 1.67 H new ATOM 0 HB THR A 123 -1.703 10.575 12.688 1.00 2.24 H new ATOM 0 HG1 THR A 123 -3.911 11.273 12.149 1.00 2.78 H new ATOM 0 HG21 THR A 123 -2.301 11.777 10.593 1.00 3.15 H new ATOM 0 HG22 THR A 123 -1.022 10.569 10.320 1.00 3.15 H new ATOM 0 HG23 THR A 123 -2.696 10.220 9.827 1.00 3.15 H new ATOM 1808 N VAL A 124 -0.249 7.913 10.541 1.00 1.09 N ATOM 1809 CA VAL A 124 1.079 7.422 10.136 1.00 0.95 C ATOM 1810 C VAL A 124 1.502 8.002 8.782 1.00 1.03 C ATOM 1811 O VAL A 124 0.688 8.194 7.876 1.00 1.15 O ATOM 1812 CB VAL A 124 1.114 5.878 10.112 1.00 1.07 C ATOM 1813 CG1 VAL A 124 0.161 5.267 9.070 1.00 1.97 C ATOM 1814 CG2 VAL A 124 2.525 5.315 9.902 1.00 2.26 C ATOM 0 H VAL A 124 -0.921 7.898 9.774 1.00 1.09 H new ATOM 0 HA VAL A 124 1.798 7.765 10.880 1.00 0.95 H new ATOM 0 HB VAL A 124 0.769 5.586 11.104 1.00 1.07 H new ATOM 0 HG11 VAL A 124 0.233 4.180 9.104 1.00 1.97 H new ATOM 0 HG12 VAL A 124 -0.862 5.570 9.291 1.00 1.97 H new ATOM 0 HG13 VAL A 124 0.436 5.618 8.075 1.00 1.97 H new ATOM 0 HG21 VAL A 124 2.485 4.226 9.894 1.00 2.26 H new ATOM 0 HG22 VAL A 124 2.921 5.670 8.950 1.00 2.26 H new ATOM 0 HG23 VAL A 124 3.174 5.648 10.712 1.00 2.26 H new ATOM 1824 N ASN A 125 2.794 8.291 8.661 1.00 1.14 N ATOM 1825 CA ASN A 125 3.369 8.961 7.501 1.00 1.34 C ATOM 1826 C ASN A 125 3.675 7.961 6.360 1.00 1.30 C ATOM 1827 O ASN A 125 4.193 6.860 6.584 1.00 1.31 O ATOM 1828 CB ASN A 125 4.590 9.769 7.951 1.00 1.59 C ATOM 1829 CG ASN A 125 4.182 10.773 9.036 1.00 1.69 C ATOM 1830 OD1 ASN A 125 3.585 11.809 8.763 1.00 2.04 O ATOM 1831 ND2 ASN A 125 4.429 10.473 10.301 1.00 2.72 N ATOM 0 H ASN A 125 3.482 8.062 9.379 1.00 1.14 H new ATOM 0 HA ASN A 125 2.646 9.657 7.077 1.00 1.34 H new ATOM 0 HB2 ASN A 125 5.359 9.099 8.335 1.00 1.59 H new ATOM 0 HB3 ASN A 125 5.022 10.296 7.100 1.00 1.59 H new ATOM 0 HD21 ASN A 125 4.123 11.102 11.043 1.00 2.72 H new ATOM 0 HD22 ASN A 125 4.925 9.613 10.534 1.00 2.72 H new ATOM 1838 N ILE A 126 3.301 8.344 5.138 1.00 1.45 N ATOM 1839 CA ILE A 126 3.217 7.494 3.955 1.00 1.22 C ATOM 1840 C ILE A 126 3.519 8.348 2.714 1.00 1.26 C ATOM 1841 O ILE A 126 3.335 9.569 2.718 1.00 1.50 O ATOM 1842 CB ILE A 126 1.819 6.798 3.932 1.00 1.07 C ATOM 1843 CG1 ILE A 126 1.887 5.352 4.474 1.00 1.55 C ATOM 1844 CG2 ILE A 126 1.084 6.822 2.577 1.00 1.37 C ATOM 1845 CD1 ILE A 126 2.556 4.333 3.539 1.00 2.16 C ATOM 0 H ILE A 126 3.035 9.308 4.939 1.00 1.45 H new ATOM 0 HA ILE A 126 3.957 6.694 3.968 1.00 1.22 H new ATOM 0 HB ILE A 126 1.218 7.415 4.600 1.00 1.07 H new ATOM 0 HG12 ILE A 126 2.427 5.361 5.421 1.00 1.55 H new ATOM 0 HG13 ILE A 126 0.873 5.013 4.688 1.00 1.55 H new ATOM 0 HG21 ILE A 126 0.126 6.312 2.674 1.00 1.37 H new ATOM 0 HG22 ILE A 126 0.916 7.855 2.272 1.00 1.37 H new ATOM 0 HG23 ILE A 126 1.690 6.316 1.825 1.00 1.37 H new ATOM 0 HD11 ILE A 126 2.554 3.350 4.010 1.00 2.16 H new ATOM 0 HD12 ILE A 126 2.006 4.286 2.599 1.00 2.16 H new ATOM 0 HD13 ILE A 126 3.584 4.639 3.343 1.00 2.16 H new ATOM 1857 N THR A 127 3.994 7.708 1.646 1.00 1.12 N ATOM 1858 CA THR A 127 4.338 8.365 0.382 1.00 1.14 C ATOM 1859 C THR A 127 3.483 7.746 -0.703 1.00 0.84 C ATOM 1860 O THR A 127 3.481 6.525 -0.817 1.00 1.09 O ATOM 1861 CB THR A 127 5.823 8.198 0.038 1.00 1.52 C ATOM 1862 OG1 THR A 127 6.576 8.118 1.224 1.00 2.04 O ATOM 1863 CG2 THR A 127 6.341 9.362 -0.812 1.00 1.81 C ATOM 0 H THR A 127 4.154 6.701 1.633 1.00 1.12 H new ATOM 0 HA THR A 127 4.151 9.435 0.469 1.00 1.14 H new ATOM 0 HB THR A 127 5.930 7.281 -0.541 1.00 1.52 H new ATOM 0 HG1 THR A 127 6.482 7.223 1.611 1.00 2.04 H new ATOM 0 HG21 THR A 127 7.397 9.208 -1.035 1.00 1.81 H new ATOM 0 HG22 THR A 127 5.777 9.412 -1.743 1.00 1.81 H new ATOM 0 HG23 THR A 127 6.219 10.296 -0.263 1.00 1.81 H new ATOM 1871 N LEU A 128 2.756 8.549 -1.480 1.00 0.72 N ATOM 1872 CA LEU A 128 1.885 8.112 -2.567 1.00 0.71 C ATOM 1873 C LEU A 128 2.120 9.081 -3.720 1.00 0.95 C ATOM 1874 O LEU A 128 2.202 10.275 -3.483 1.00 1.62 O ATOM 1875 CB LEU A 128 0.422 8.201 -2.097 1.00 1.08 C ATOM 1876 CG LEU A 128 0.029 7.255 -0.946 1.00 1.89 C ATOM 1877 CD1 LEU A 128 -1.363 7.610 -0.396 1.00 2.54 C ATOM 1878 CD2 LEU A 128 0.022 5.783 -1.380 1.00 2.91 C ATOM 0 H LEU A 128 2.759 9.562 -1.363 1.00 0.72 H new ATOM 0 HA LEU A 128 2.091 7.086 -2.870 1.00 0.71 H new ATOM 0 HB2 LEU A 128 0.222 9.226 -1.784 1.00 1.08 H new ATOM 0 HB3 LEU A 128 -0.227 7.996 -2.949 1.00 1.08 H new ATOM 0 HG LEU A 128 0.784 7.387 -0.171 1.00 1.89 H new ATOM 0 HD11 LEU A 128 -1.618 6.928 0.415 1.00 2.54 H new ATOM 0 HD12 LEU A 128 -1.356 8.634 -0.021 1.00 2.54 H new ATOM 0 HD13 LEU A 128 -2.102 7.520 -1.192 1.00 2.54 H new ATOM 0 HD21 LEU A 128 -0.261 5.156 -0.535 1.00 2.91 H new ATOM 0 HD22 LEU A 128 -0.695 5.646 -2.190 1.00 2.91 H new ATOM 0 HD23 LEU A 128 1.017 5.501 -1.724 1.00 2.91 H new ATOM 1890 N LYS A 129 2.257 8.625 -4.961 1.00 1.05 N ATOM 1891 CA LYS A 129 2.529 9.513 -6.109 1.00 1.27 C ATOM 1892 C LYS A 129 1.475 9.339 -7.211 1.00 1.49 C ATOM 1893 O LYS A 129 1.244 8.212 -7.649 1.00 1.63 O ATOM 1894 CB LYS A 129 3.954 9.235 -6.616 1.00 1.64 C ATOM 1895 CG LYS A 129 4.413 10.271 -7.661 1.00 2.73 C ATOM 1896 CD LYS A 129 5.651 9.866 -8.476 1.00 3.42 C ATOM 1897 CE LYS A 129 6.769 9.273 -7.606 1.00 2.95 C ATOM 1898 NZ LYS A 129 8.105 9.454 -8.217 1.00 3.49 N ATOM 0 H LYS A 129 2.185 7.638 -5.209 1.00 1.05 H new ATOM 0 HA LYS A 129 2.464 10.555 -5.795 1.00 1.27 H new ATOM 0 HB2 LYS A 129 4.645 9.241 -5.773 1.00 1.64 H new ATOM 0 HB3 LYS A 129 3.994 8.238 -7.054 1.00 1.64 H new ATOM 0 HG2 LYS A 129 3.589 10.460 -8.349 1.00 2.73 H new ATOM 0 HG3 LYS A 129 4.624 11.211 -7.151 1.00 2.73 H new ATOM 0 HD2 LYS A 129 5.360 9.137 -9.232 1.00 3.42 H new ATOM 0 HD3 LYS A 129 6.033 10.739 -9.005 1.00 3.42 H new ATOM 0 HE2 LYS A 129 6.753 9.746 -6.624 1.00 2.95 H new ATOM 0 HE3 LYS A 129 6.582 8.210 -7.451 1.00 2.95 H new ATOM 0 HZ1 LYS A 129 8.829 9.039 -7.597 1.00 3.49 H new ATOM 0 HZ2 LYS A 129 8.130 8.981 -9.143 1.00 3.49 H new ATOM 0 HZ3 LYS A 129 8.295 10.469 -8.341 1.00 3.49 H new ATOM 1912 N ALA A 130 0.815 10.419 -7.646 1.00 1.81 N ATOM 1913 CA ALA A 130 -0.092 10.396 -8.797 1.00 2.25 C ATOM 1914 C ALA A 130 0.659 9.992 -10.080 1.00 2.48 C ATOM 1915 O ALA A 130 1.832 10.314 -10.240 1.00 2.41 O ATOM 1916 CB ALA A 130 -0.783 11.761 -8.924 1.00 2.35 C ATOM 0 H ALA A 130 0.896 11.336 -7.207 1.00 1.81 H new ATOM 0 HA ALA A 130 -0.863 9.641 -8.644 1.00 2.25 H new ATOM 0 HB1 ALA A 130 -1.459 11.749 -9.779 1.00 2.35 H new ATOM 0 HB2 ALA A 130 -1.350 11.968 -8.016 1.00 2.35 H new ATOM 0 HB3 ALA A 130 -0.031 12.537 -9.067 1.00 2.35 H new ATOM 1922 N THR A 131 -0.035 9.314 -11.004 1.00 2.99 N ATOM 1923 CA THR A 131 0.525 8.790 -12.267 1.00 3.42 C ATOM 1924 C THR A 131 1.076 9.835 -13.248 1.00 3.39 C ATOM 1925 O THR A 131 1.612 9.445 -14.283 1.00 4.18 O ATOM 1926 CB THR A 131 -0.523 7.881 -12.924 1.00 4.07 C ATOM 1927 OG1 THR A 131 0.106 7.074 -13.878 1.00 4.18 O ATOM 1928 CG2 THR A 131 -1.666 8.648 -13.595 1.00 4.72 C ATOM 0 H THR A 131 -1.028 9.107 -10.895 1.00 2.99 H new ATOM 0 HA THR A 131 1.418 8.227 -11.997 1.00 3.42 H new ATOM 0 HB THR A 131 -0.968 7.286 -12.126 1.00 4.07 H new ATOM 0 HG1 THR A 131 0.742 7.612 -14.394 1.00 4.18 H new ATOM 0 HG21 THR A 131 -2.368 7.941 -14.038 1.00 4.72 H new ATOM 0 HG22 THR A 131 -2.183 9.255 -12.852 1.00 4.72 H new ATOM 0 HG23 THR A 131 -1.262 9.294 -14.374 1.00 4.72 H new ATOM 1936 N ASP A 132 0.942 11.121 -12.920 1.00 2.83 N ATOM 1937 CA ASP A 132 1.318 12.281 -13.729 1.00 2.95 C ATOM 1938 C ASP A 132 1.365 13.509 -12.795 1.00 2.82 C ATOM 1939 O ASP A 132 0.956 14.612 -13.150 1.00 3.29 O ATOM 1940 CB ASP A 132 0.324 12.432 -14.902 1.00 3.49 C ATOM 1941 CG ASP A 132 0.912 13.043 -16.176 1.00 3.82 C ATOM 1942 OD1 ASP A 132 1.860 13.859 -16.113 1.00 4.06 O ATOM 1943 OD2 ASP A 132 0.405 12.677 -17.264 1.00 4.56 O ATOM 0 H ASP A 132 0.542 11.398 -12.024 1.00 2.83 H new ATOM 0 HA ASP A 132 2.303 12.167 -14.181 1.00 2.95 H new ATOM 0 HB2 ASP A 132 -0.082 11.450 -15.143 1.00 3.49 H new ATOM 0 HB3 ASP A 132 -0.511 13.050 -14.573 1.00 3.49 H new ATOM 1948 N GLY A 133 1.766 13.299 -11.523 1.00 2.65 N ATOM 1949 CA GLY A 133 1.565 14.292 -10.457 1.00 2.87 C ATOM 1950 C GLY A 133 2.303 14.062 -9.128 1.00 2.71 C ATOM 1951 O GLY A 133 2.457 12.953 -8.614 1.00 3.85 O ATOM 0 H GLY A 133 2.232 12.446 -11.213 1.00 2.65 H new ATOM 0 HA2 GLY A 133 1.863 15.266 -10.844 1.00 2.87 H new ATOM 0 HA3 GLY A 133 0.497 14.347 -10.244 1.00 2.87 H new ATOM 1955 N ARG A 134 2.685 15.191 -8.540 1.00 2.58 N ATOM 1956 CA ARG A 134 3.560 15.323 -7.366 1.00 2.88 C ATOM 1957 C ARG A 134 2.755 15.271 -6.054 1.00 2.90 C ATOM 1958 O ARG A 134 2.609 16.274 -5.364 1.00 3.78 O ATOM 1959 CB ARG A 134 4.402 16.612 -7.517 1.00 3.85 C ATOM 1960 CG ARG A 134 5.380 16.574 -8.711 1.00 5.01 C ATOM 1961 CD ARG A 134 6.739 15.952 -8.363 1.00 6.38 C ATOM 1962 NE ARG A 134 7.667 16.971 -7.836 1.00 7.54 N ATOM 1963 CZ ARG A 134 8.514 16.831 -6.828 1.00 8.75 C ATOM 1964 NH1 ARG A 134 8.697 15.687 -6.208 1.00 9.28 N ATOM 1965 NH2 ARG A 134 9.201 17.866 -6.407 1.00 9.81 N ATOM 0 H ARG A 134 2.376 16.099 -8.888 1.00 2.58 H new ATOM 0 HA ARG A 134 4.244 14.476 -7.313 1.00 2.88 H new ATOM 0 HB2 ARG A 134 3.731 17.463 -7.635 1.00 3.85 H new ATOM 0 HB3 ARG A 134 4.967 16.776 -6.600 1.00 3.85 H new ATOM 0 HG2 ARG A 134 4.927 16.008 -9.525 1.00 5.01 H new ATOM 0 HG3 ARG A 134 5.536 17.589 -9.077 1.00 5.01 H new ATOM 0 HD2 ARG A 134 6.603 15.162 -7.624 1.00 6.38 H new ATOM 0 HD3 ARG A 134 7.169 15.488 -9.251 1.00 6.38 H new ATOM 0 HE ARG A 134 7.655 17.880 -8.298 1.00 7.54 H new ATOM 0 HH11 ARG A 134 8.175 14.860 -6.499 1.00 9.28 H new ATOM 0 HH12 ARG A 134 9.361 15.626 -5.436 1.00 9.28 H new ATOM 0 HH21 ARG A 134 9.082 18.774 -6.856 1.00 9.81 H new ATOM 0 HH22 ARG A 134 9.855 17.763 -5.631 1.00 9.81 H new ATOM 1979 N THR A 135 2.266 14.080 -5.686 1.00 2.63 N ATOM 1980 CA THR A 135 1.516 13.808 -4.431 1.00 2.79 C ATOM 1981 C THR A 135 2.417 13.611 -3.226 1.00 1.82 C ATOM 1982 O THR A 135 2.203 14.224 -2.185 1.00 2.98 O ATOM 1983 CB THR A 135 0.530 12.657 -4.634 1.00 4.07 C ATOM 1984 OG1 THR A 135 -0.198 12.866 -5.817 1.00 5.26 O ATOM 1985 CG2 THR A 135 -0.452 12.524 -3.476 1.00 4.75 C ATOM 0 H THR A 135 2.379 13.247 -6.264 1.00 2.63 H new ATOM 0 HA THR A 135 0.937 14.702 -4.198 1.00 2.79 H new ATOM 0 HB THR A 135 1.114 11.738 -4.691 1.00 4.07 H new ATOM 0 HG1 THR A 135 -0.933 12.220 -5.867 1.00 5.26 H new ATOM 0 HG21 THR A 135 -1.131 11.693 -3.668 1.00 4.75 H new ATOM 0 HG22 THR A 135 0.097 12.338 -2.553 1.00 4.75 H new ATOM 0 HG23 THR A 135 -1.026 13.446 -3.378 1.00 4.75 H new ATOM 1993 N LEU A 136 3.461 12.811 -3.399 1.00 1.58 N ATOM 1994 CA LEU A 136 4.399 12.338 -2.389 1.00 2.17 C ATOM 1995 C LEU A 136 3.845 12.160 -0.945 1.00 1.81 C ATOM 1996 O LEU A 136 3.127 11.202 -0.686 1.00 1.44 O ATOM 1997 CB LEU A 136 5.753 13.066 -2.541 1.00 3.66 C ATOM 1998 CG LEU A 136 5.733 14.601 -2.310 1.00 4.44 C ATOM 1999 CD1 LEU A 136 6.953 15.050 -1.494 1.00 5.62 C ATOM 2000 CD2 LEU A 136 5.700 15.375 -3.637 1.00 5.50 C ATOM 0 H LEU A 136 3.692 12.447 -4.323 1.00 1.58 H new ATOM 0 HA LEU A 136 4.589 11.285 -2.599 1.00 2.17 H new ATOM 0 HB2 LEU A 136 6.461 12.623 -1.841 1.00 3.66 H new ATOM 0 HB3 LEU A 136 6.135 12.875 -3.544 1.00 3.66 H new ATOM 0 HG LEU A 136 4.823 14.824 -1.753 1.00 4.44 H new ATOM 0 HD11 LEU A 136 6.915 16.129 -1.346 1.00 5.62 H new ATOM 0 HD12 LEU A 136 6.946 14.551 -0.525 1.00 5.62 H new ATOM 0 HD13 LEU A 136 7.865 14.789 -2.030 1.00 5.62 H new ATOM 0 HD21 LEU A 136 5.687 16.446 -3.433 1.00 5.50 H new ATOM 0 HD22 LEU A 136 6.585 15.128 -4.224 1.00 5.50 H new ATOM 0 HD23 LEU A 136 4.805 15.101 -4.196 1.00 5.50 H new ATOM 2012 N ASN A 137 4.282 12.980 0.010 1.00 2.19 N ATOM 2013 CA ASN A 137 4.034 12.850 1.445 1.00 2.15 C ATOM 2014 C ASN A 137 2.546 13.023 1.788 1.00 2.13 C ATOM 2015 O ASN A 137 2.007 14.128 1.730 1.00 2.50 O ATOM 2016 CB ASN A 137 4.916 13.885 2.166 1.00 2.49 C ATOM 2017 CG ASN A 137 4.800 13.793 3.685 1.00 3.22 C ATOM 2018 OD1 ASN A 137 5.558 13.086 4.333 1.00 4.57 O ATOM 2019 ND2 ASN A 137 3.849 14.497 4.268 1.00 3.02 N ATOM 0 H ASN A 137 4.850 13.798 -0.209 1.00 2.19 H new ATOM 0 HA ASN A 137 4.293 11.845 1.778 1.00 2.15 H new ATOM 0 HB2 ASN A 137 5.956 13.738 1.874 1.00 2.49 H new ATOM 0 HB3 ASN A 137 4.633 14.887 1.843 1.00 2.49 H new ATOM 0 HD21 ASN A 137 3.734 14.459 5.281 1.00 3.02 H new ATOM 0 HD22 ASN A 137 3.229 15.080 3.706 1.00 3.02 H new ATOM 2026 N VAL A 138 1.917 11.925 2.194 1.00 1.84 N ATOM 2027 CA VAL A 138 0.503 11.829 2.591 1.00 1.87 C ATOM 2028 C VAL A 138 0.347 11.160 3.968 1.00 1.73 C ATOM 2029 O VAL A 138 1.024 10.185 4.297 1.00 1.59 O ATOM 2030 CB VAL A 138 -0.327 11.080 1.515 1.00 1.89 C ATOM 2031 CG1 VAL A 138 -1.783 10.815 1.952 1.00 1.99 C ATOM 2032 CG2 VAL A 138 -0.373 11.878 0.201 1.00 2.31 C ATOM 0 H VAL A 138 2.398 11.028 2.261 1.00 1.84 H new ATOM 0 HA VAL A 138 0.116 12.845 2.672 1.00 1.87 H new ATOM 0 HB VAL A 138 0.178 10.124 1.374 1.00 1.89 H new ATOM 0 HG11 VAL A 138 -2.311 10.289 1.157 1.00 1.99 H new ATOM 0 HG12 VAL A 138 -1.786 10.205 2.856 1.00 1.99 H new ATOM 0 HG13 VAL A 138 -2.281 11.764 2.152 1.00 1.99 H new ATOM 0 HG21 VAL A 138 -0.961 11.331 -0.536 1.00 2.31 H new ATOM 0 HG22 VAL A 138 -0.831 12.850 0.382 1.00 2.31 H new ATOM 0 HG23 VAL A 138 0.640 12.019 -0.175 1.00 2.31 H new ATOM 2042 N ALA A 139 -0.584 11.688 4.768 1.00 2.00 N ATOM 2043 CA ALA A 139 -1.023 11.083 6.025 1.00 1.94 C ATOM 2044 C ALA A 139 -2.015 9.924 5.786 1.00 1.69 C ATOM 2045 O ALA A 139 -3.098 10.119 5.225 1.00 1.96 O ATOM 2046 CB ALA A 139 -1.628 12.183 6.908 1.00 2.53 C ATOM 0 H ALA A 139 -1.061 12.564 4.555 1.00 2.00 H new ATOM 0 HA ALA A 139 -0.167 10.641 6.535 1.00 1.94 H new ATOM 0 HB1 ALA A 139 -1.962 11.750 7.851 1.00 2.53 H new ATOM 0 HB2 ALA A 139 -0.875 12.946 7.105 1.00 2.53 H new ATOM 0 HB3 ALA A 139 -2.477 12.635 6.396 1.00 2.53 H new ATOM 2052 N ALA A 140 -1.630 8.734 6.246 1.00 1.53 N ATOM 2053 CA ALA A 140 -2.430 7.514 6.277 1.00 1.35 C ATOM 2054 C ALA A 140 -2.790 7.122 7.726 1.00 1.27 C ATOM 2055 O ALA A 140 -2.334 7.760 8.683 1.00 1.31 O ATOM 2056 CB ALA A 140 -1.615 6.411 5.593 1.00 1.16 C ATOM 0 H ALA A 140 -0.696 8.589 6.629 1.00 1.53 H new ATOM 0 HA ALA A 140 -3.373 7.667 5.752 1.00 1.35 H new ATOM 0 HB1 ALA A 140 -2.184 5.482 5.598 1.00 1.16 H new ATOM 0 HB2 ALA A 140 -1.402 6.701 4.564 1.00 1.16 H new ATOM 0 HB3 ALA A 140 -0.678 6.265 6.130 1.00 1.16 H new ATOM 2062 N THR A 141 -3.569 6.051 7.899 1.00 1.25 N ATOM 2063 CA THR A 141 -4.018 5.555 9.214 1.00 1.24 C ATOM 2064 C THR A 141 -3.391 4.194 9.521 1.00 1.19 C ATOM 2065 O THR A 141 -3.030 3.439 8.616 1.00 1.22 O ATOM 2066 CB THR A 141 -5.545 5.445 9.226 1.00 1.32 C ATOM 2067 OG1 THR A 141 -6.086 6.682 8.805 1.00 1.46 O ATOM 2068 CG2 THR A 141 -6.163 5.148 10.597 1.00 1.30 C ATOM 0 H THR A 141 -3.914 5.491 7.120 1.00 1.25 H new ATOM 0 HA THR A 141 -3.699 6.259 9.983 1.00 1.24 H new ATOM 0 HB THR A 141 -5.781 4.607 8.570 1.00 1.32 H new ATOM 0 HG1 THR A 141 -7.065 6.628 8.805 1.00 1.46 H new ATOM 0 HG21 THR A 141 -7.247 5.089 10.502 1.00 1.30 H new ATOM 0 HG22 THR A 141 -5.779 4.199 10.971 1.00 1.30 H new ATOM 0 HG23 THR A 141 -5.903 5.945 11.294 1.00 1.30 H new ATOM 2076 N VAL A 142 -3.289 3.852 10.799 1.00 1.22 N ATOM 2077 CA VAL A 142 -2.933 2.512 11.263 1.00 1.24 C ATOM 2078 C VAL A 142 -4.183 1.822 11.823 1.00 1.26 C ATOM 2079 O VAL A 142 -4.889 2.415 12.636 1.00 1.43 O ATOM 2080 CB VAL A 142 -1.849 2.599 12.365 1.00 1.40 C ATOM 2081 CG1 VAL A 142 -1.291 1.217 12.718 1.00 1.67 C ATOM 2082 CG2 VAL A 142 -0.667 3.489 11.971 1.00 1.87 C ATOM 0 H VAL A 142 -3.454 4.511 11.560 1.00 1.22 H new ATOM 0 HA VAL A 142 -2.538 1.936 10.426 1.00 1.24 H new ATOM 0 HB VAL A 142 -2.356 3.038 13.224 1.00 1.40 H new ATOM 0 HG11 VAL A 142 -0.533 1.318 13.495 1.00 1.67 H new ATOM 0 HG12 VAL A 142 -2.098 0.580 13.080 1.00 1.67 H new ATOM 0 HG13 VAL A 142 -0.844 0.768 11.831 1.00 1.67 H new ATOM 0 HG21 VAL A 142 0.059 3.510 12.784 1.00 1.87 H new ATOM 0 HG22 VAL A 142 -0.195 3.091 11.073 1.00 1.87 H new ATOM 0 HG23 VAL A 142 -1.023 4.501 11.776 1.00 1.87 H new ATOM 2092 N LYS A 143 -4.433 0.565 11.420 1.00 1.29 N ATOM 2093 CA LYS A 143 -5.524 -0.285 11.924 1.00 1.36 C ATOM 2094 C LYS A 143 -5.227 -1.774 11.661 1.00 1.51 C ATOM 2095 O LYS A 143 -5.183 -2.227 10.514 1.00 2.09 O ATOM 2096 CB LYS A 143 -6.868 0.128 11.278 1.00 1.55 C ATOM 2097 CG LYS A 143 -8.077 -0.657 11.825 1.00 1.58 C ATOM 2098 CD LYS A 143 -9.266 -0.642 10.851 1.00 1.94 C ATOM 2099 CE LYS A 143 -10.392 -1.523 11.409 1.00 2.49 C ATOM 2100 NZ LYS A 143 -11.434 -1.840 10.402 1.00 3.13 N ATOM 0 H LYS A 143 -3.864 0.099 10.713 1.00 1.29 H new ATOM 0 HA LYS A 143 -5.600 -0.144 13.002 1.00 1.36 H new ATOM 0 HB2 LYS A 143 -7.030 1.193 11.444 1.00 1.55 H new ATOM 0 HB3 LYS A 143 -6.805 -0.021 10.200 1.00 1.55 H new ATOM 0 HG2 LYS A 143 -7.781 -1.688 12.019 1.00 1.58 H new ATOM 0 HG3 LYS A 143 -8.385 -0.229 12.779 1.00 1.58 H new ATOM 0 HD2 LYS A 143 -9.623 0.378 10.711 1.00 1.94 H new ATOM 0 HD3 LYS A 143 -8.954 -1.008 9.873 1.00 1.94 H new ATOM 0 HE2 LYS A 143 -9.965 -2.452 11.787 1.00 2.49 H new ATOM 0 HE3 LYS A 143 -10.855 -1.017 12.256 1.00 2.49 H new ATOM 0 HZ1 LYS A 143 -12.167 -2.437 10.837 1.00 3.13 H new ATOM 0 HZ2 LYS A 143 -11.865 -0.958 10.059 1.00 3.13 H new ATOM 0 HZ3 LYS A 143 -11.002 -2.348 9.604 1.00 3.13 H new ATOM 2114 N LYS A 144 -5.072 -2.579 12.723 1.00 1.48 N ATOM 2115 CA LYS A 144 -4.967 -4.052 12.615 1.00 1.67 C ATOM 2116 C LYS A 144 -6.166 -4.656 11.859 1.00 1.94 C ATOM 2117 O LYS A 144 -7.317 -4.358 12.176 1.00 2.72 O ATOM 2118 CB LYS A 144 -4.758 -4.688 14.010 1.00 2.31 C ATOM 2119 CG LYS A 144 -5.967 -4.639 14.975 1.00 3.14 C ATOM 2120 CD LYS A 144 -6.871 -5.890 14.927 1.00 3.82 C ATOM 2121 CE LYS A 144 -6.520 -6.886 16.041 1.00 4.78 C ATOM 2122 NZ LYS A 144 -7.026 -8.246 15.736 1.00 5.68 N ATOM 0 H LYS A 144 -5.015 -2.234 13.681 1.00 1.48 H new ATOM 0 HA LYS A 144 -4.086 -4.289 12.018 1.00 1.67 H new ATOM 0 HB2 LYS A 144 -4.473 -5.731 13.871 1.00 2.31 H new ATOM 0 HB3 LYS A 144 -3.916 -4.189 14.491 1.00 2.31 H new ATOM 0 HG2 LYS A 144 -5.599 -4.510 15.993 1.00 3.14 H new ATOM 0 HG3 LYS A 144 -6.569 -3.761 14.740 1.00 3.14 H new ATOM 0 HD2 LYS A 144 -7.914 -5.589 15.023 1.00 3.82 H new ATOM 0 HD3 LYS A 144 -6.768 -6.377 13.957 1.00 3.82 H new ATOM 0 HE2 LYS A 144 -5.438 -6.920 16.172 1.00 4.78 H new ATOM 0 HE3 LYS A 144 -6.944 -6.542 16.984 1.00 4.78 H new ATOM 0 HZ1 LYS A 144 -6.892 -8.860 16.565 1.00 5.68 H new ATOM 0 HZ2 LYS A 144 -8.038 -8.196 15.502 1.00 5.68 H new ATOM 0 HZ3 LYS A 144 -6.503 -8.638 14.927 1.00 5.68 H new ATOM 2136 N ASN A 145 -5.923 -5.459 10.816 1.00 2.47 N ATOM 2137 CA ASN A 145 -6.977 -6.050 9.967 1.00 3.47 C ATOM 2138 C ASN A 145 -6.369 -7.091 9.011 1.00 3.74 C ATOM 2139 O ASN A 145 -5.977 -6.751 7.902 1.00 4.77 O ATOM 2140 CB ASN A 145 -7.796 -4.947 9.247 1.00 4.80 C ATOM 2141 CG ASN A 145 -9.284 -5.287 9.238 1.00 5.77 C ATOM 2142 OD1 ASN A 145 -9.782 -5.917 8.321 1.00 6.18 O ATOM 2143 ND2 ASN A 145 -10.019 -4.921 10.278 1.00 6.59 N ATOM 0 H ASN A 145 -4.980 -5.723 10.531 1.00 2.47 H new ATOM 0 HA ASN A 145 -7.691 -6.584 10.594 1.00 3.47 H new ATOM 0 HB2 ASN A 145 -7.641 -3.990 9.746 1.00 4.80 H new ATOM 0 HB3 ASN A 145 -7.439 -4.834 8.223 1.00 4.80 H new ATOM 0 HD21 ASN A 145 -11.008 -5.166 10.315 1.00 6.59 H new ATOM 0 HD22 ASN A 145 -9.595 -4.394 11.042 1.00 6.59 H new ATOM 2150 N ILE A 146 -6.195 -8.317 9.526 1.00 3.38 N ATOM 2151 CA ILE A 146 -5.484 -9.509 9.003 1.00 3.67 C ATOM 2152 C ILE A 146 -5.094 -10.421 10.162 1.00 3.77 C ATOM 2153 O ILE A 146 -5.373 -11.610 10.138 1.00 4.31 O ATOM 2154 CB ILE A 146 -4.273 -9.175 8.092 1.00 3.68 C ATOM 2155 CG1 ILE A 146 -3.652 -10.476 7.527 1.00 4.21 C ATOM 2156 CG2 ILE A 146 -3.194 -8.301 8.769 1.00 4.14 C ATOM 2157 CD1 ILE A 146 -2.563 -10.244 6.466 1.00 5.02 C ATOM 0 H ILE A 146 -6.600 -8.530 10.438 1.00 3.38 H new ATOM 0 HA ILE A 146 -6.179 -10.034 8.348 1.00 3.67 H new ATOM 0 HB ILE A 146 -4.667 -8.570 7.276 1.00 3.68 H new ATOM 0 HG12 ILE A 146 -3.226 -11.049 8.350 1.00 4.21 H new ATOM 0 HG13 ILE A 146 -4.444 -11.085 7.091 1.00 4.21 H new ATOM 0 HG21 ILE A 146 -2.383 -8.114 8.065 1.00 4.14 H new ATOM 0 HG22 ILE A 146 -3.634 -7.352 9.076 1.00 4.14 H new ATOM 0 HG23 ILE A 146 -2.802 -8.819 9.644 1.00 4.14 H new ATOM 0 HD11 ILE A 146 -2.180 -11.205 6.122 1.00 5.02 H new ATOM 0 HD12 ILE A 146 -2.987 -9.699 5.623 1.00 5.02 H new ATOM 0 HD13 ILE A 146 -1.749 -9.664 6.901 1.00 5.02 H new ATOM 2169 N GLU A 147 -4.507 -9.840 11.208 1.00 3.60 N ATOM 2170 CA GLU A 147 -4.079 -10.472 12.448 1.00 4.04 C ATOM 2171 C GLU A 147 -4.232 -9.392 13.544 1.00 4.39 C ATOM 2172 O GLU A 147 -5.262 -8.708 13.586 1.00 5.90 O ATOM 2173 CB GLU A 147 -2.665 -11.092 12.236 1.00 4.49 C ATOM 2174 CG GLU A 147 -2.670 -12.630 12.272 1.00 5.39 C ATOM 2175 CD GLU A 147 -2.880 -13.205 13.675 1.00 6.16 C ATOM 2176 OE1 GLU A 147 -3.433 -12.508 14.557 1.00 6.89 O ATOM 2177 OE2 GLU A 147 -2.532 -14.394 13.888 1.00 6.86 O ATOM 0 H GLU A 147 -4.305 -8.840 11.207 1.00 3.60 H new ATOM 0 HA GLU A 147 -4.676 -11.325 12.772 1.00 4.04 H new ATOM 0 HB2 GLU A 147 -2.268 -10.758 11.277 1.00 4.49 H new ATOM 0 HB3 GLU A 147 -1.991 -10.718 13.007 1.00 4.49 H new ATOM 0 HG2 GLU A 147 -3.457 -12.999 11.615 1.00 5.39 H new ATOM 0 HG3 GLU A 147 -1.724 -12.998 11.874 1.00 5.39 H new ATOM 2184 N GLY A 148 -3.233 -9.140 14.396 1.00 3.60 N ATOM 2185 CA GLY A 148 -3.349 -8.250 15.564 1.00 4.52 C ATOM 2186 C GLY A 148 -2.249 -8.316 16.616 1.00 4.46 C ATOM 2187 O GLY A 148 -2.310 -7.529 17.556 1.00 5.71 O ATOM 0 H GLY A 148 -2.306 -9.553 14.295 1.00 3.60 H new ATOM 0 HA2 GLY A 148 -3.404 -7.224 15.200 1.00 4.52 H new ATOM 0 HA3 GLY A 148 -4.297 -8.465 16.056 1.00 4.52 H new ATOM 2191 N ARG A 149 -1.292 -9.237 16.486 1.00 3.91 N ATOM 2192 CA ARG A 149 -0.075 -9.341 17.307 1.00 4.48 C ATOM 2193 C ARG A 149 1.075 -9.762 16.405 1.00 5.45 C ATOM 2194 O ARG A 149 0.824 -10.358 15.332 1.00 6.44 O ATOM 2195 CB ARG A 149 -0.258 -10.307 18.497 1.00 4.82 C ATOM 2196 CG ARG A 149 -1.324 -9.834 19.501 1.00 5.91 C ATOM 2197 CD ARG A 149 -1.540 -10.792 20.687 1.00 6.59 C ATOM 2198 NE ARG A 149 -0.683 -10.495 21.862 1.00 7.56 N ATOM 2199 CZ ARG A 149 -0.981 -10.728 23.131 1.00 8.53 C ATOM 2200 NH1 ARG A 149 -2.129 -11.194 23.510 1.00 8.87 N ATOM 2201 NH2 ARG A 149 -0.120 -10.443 24.065 1.00 9.50 N ATOM 2202 OXT ARG A 149 2.218 -9.443 16.773 1.00 5.96 O ATOM 0 H ARG A 149 -1.343 -9.966 15.774 1.00 3.91 H new ATOM 0 HA ARG A 149 0.146 -8.370 17.750 1.00 4.48 H new ATOM 0 HB2 ARG A 149 -0.535 -11.291 18.119 1.00 4.82 H new ATOM 0 HB3 ARG A 149 0.695 -10.421 19.014 1.00 4.82 H new ATOM 0 HG2 ARG A 149 -1.036 -8.856 19.886 1.00 5.91 H new ATOM 0 HG3 ARG A 149 -2.270 -9.704 18.976 1.00 5.91 H new ATOM 0 HD2 ARG A 149 -2.586 -10.748 20.992 1.00 6.59 H new ATOM 0 HD3 ARG A 149 -1.347 -11.813 20.357 1.00 6.59 H new ATOM 0 HE ARG A 149 0.225 -10.070 21.673 1.00 7.56 H new ATOM 0 HH11 ARG A 149 -2.850 -11.398 22.818 1.00 8.87 H new ATOM 0 HH12 ARG A 149 -2.311 -11.357 24.500 1.00 8.87 H new ATOM 0 HH21 ARG A 149 0.784 -10.040 23.819 1.00 9.50 H new ATOM 0 HH22 ARG A 149 -0.350 -10.623 25.042 1.00 9.50 H new TER 2216 ARG A 149