USER MOD reduce.3.24.130724 H: found=0, std=0, add=573, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 572 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 NoAdj-H: A 62 HIS HE2 : A 62 HIS NE2 : A 101 ZNZN :(H bumps) USER MOD Set 1.1: A 29 ASN : amide:sc= 0.244 K(o=-0.0025,f=-1.8!) USER MOD Set 1.2: A 32 MET CE :methyl -143:sc= -0.246 (180deg=-0.747) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -165:sc= -0.0129 (180deg=-0.306) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HD1:sc= -0.0271 X(o=-0.027,f=0) USER MOD Single : A 5 HIS : no HD1:sc= -0.0306 X(o=-0.031,f=-0.039) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 8 HIS : no HE2:sc= 0.00725 X(o=0.0072,f=-0.29) USER MOD Single : A 9 SER OG : rot 180:sc=-0.00257 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=-0.0041) USER MOD Single : A 11 MET CE :methyl 164:sc= -0.128 (180deg=-0.453) USER MOD Single : A 13 ASN : amide:sc= -0.0279 X(o=-0.028,f=-0.028) USER MOD Single : A 15 LYS NZ :NH3+ 171:sc=-0.00377 (180deg=-0.0892) USER MOD Single : A 17 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0213) USER MOD Single : A 18 CYS SG : rot 32:sc= 0.0339 USER MOD Single : A 21 CYS SG : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 CYS SG : rot 35:sc= 0.11 USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 39 THR OG1 : rot -78:sc= 0.453 USER MOD Single : A 45 HIS : no HD1:sc= -1.48 K(o=-1.5,f=-2.5!) USER MOD Single : A 47 ASN : amide:sc= -0.134 X(o=-0.13,f=-0.009) USER MOD Single : A 48 GLN : amide:sc= -0.0243 X(o=-0.024,f=-0.024) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot -40:sc= 0.403 USER MOD Single : A 55 GLN : amide:sc= 0.432 X(o=0.43,f=0) USER MOD Single : A 56 LYS NZ :NH3+ 169:sc=-0.00942 (180deg=-0.122) USER MOD Single : A 58 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 HIS : no HD1:sc= -0.506 X(o=-0.51,f=-0.44) USER MOD Single : A 67 SER OG : rot 68:sc= 0.562 USER MOD Single : A 70 LYS NZ :NH3+ 144:sc= 0.913 (180deg=0.246) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -53.374 -43.638 70.982 1.00 71.42 N ATOM 2 CA MET A 1 -54.039 -43.235 69.725 1.00 41.23 C ATOM 3 C MET A 1 -53.665 -41.776 69.403 1.00 42.23 C ATOM 4 O MET A 1 -54.322 -40.830 69.867 1.00 31.34 O ATOM 5 CB MET A 1 -55.580 -43.424 69.839 1.00 1.33 C ATOM 6 CG MET A 1 -56.025 -44.861 70.155 1.00 54.10 C ATOM 7 SD MET A 1 -57.808 -44.995 70.423 1.00 23.11 S ATOM 8 CE MET A 1 -57.991 -46.717 70.889 1.00 22.44 C ATOM 0 H1 MET A 1 -53.407 -44.673 71.076 1.00 71.42 H new ATOM 0 H2 MET A 1 -52.383 -43.324 70.967 1.00 71.42 H new ATOM 0 H3 MET A 1 -53.863 -43.201 71.789 1.00 71.42 H new ATOM 0 HA MET A 1 -53.699 -43.869 68.906 1.00 41.23 H new ATOM 0 HB2 MET A 1 -55.958 -42.761 70.617 1.00 1.33 H new ATOM 0 HB3 MET A 1 -56.042 -43.112 68.902 1.00 1.33 H new ATOM 0 HG2 MET A 1 -55.735 -45.516 69.334 1.00 54.10 H new ATOM 0 HG3 MET A 1 -55.501 -45.213 71.044 1.00 54.10 H new ATOM 0 HE1 MET A 1 -59.042 -46.932 71.082 1.00 22.44 H new ATOM 0 HE2 MET A 1 -57.633 -47.353 70.079 1.00 22.44 H new ATOM 0 HE3 MET A 1 -57.409 -46.914 71.789 1.00 22.44 H new ATOM 20 N GLY A 2 -52.561 -41.615 68.656 1.00 52.43 N ATOM 21 CA GLY A 2 -52.054 -40.304 68.241 1.00 11.10 C ATOM 22 C GLY A 2 -51.217 -40.391 66.973 1.00 41.02 C ATOM 23 O GLY A 2 -50.407 -39.497 66.697 1.00 40.31 O ATOM 0 H GLY A 2 -51.995 -42.396 68.323 1.00 52.43 H new ATOM 0 HA2 GLY A 2 -52.892 -39.627 68.076 1.00 11.10 H new ATOM 0 HA3 GLY A 2 -51.453 -39.877 69.044 1.00 11.10 H new ATOM 27 N HIS A 3 -51.417 -41.480 66.195 1.00 10.22 N ATOM 28 CA HIS A 3 -50.729 -41.693 64.909 1.00 3.32 C ATOM 29 C HIS A 3 -51.360 -40.774 63.842 1.00 42.03 C ATOM 30 O HIS A 3 -52.290 -41.161 63.119 1.00 30.13 O ATOM 31 CB HIS A 3 -50.795 -43.188 64.488 1.00 73.11 C ATOM 32 CG HIS A 3 -50.046 -43.505 63.216 1.00 10.05 C ATOM 33 ND1 HIS A 3 -50.642 -43.513 61.976 1.00 15.42 N ATOM 34 CD2 HIS A 3 -48.742 -43.808 63.002 1.00 63.21 C ATOM 35 CE1 HIS A 3 -49.743 -43.802 61.060 1.00 11.43 C ATOM 36 NE2 HIS A 3 -48.578 -43.985 61.655 1.00 71.33 N ATOM 0 H HIS A 3 -52.059 -42.232 66.444 1.00 10.22 H new ATOM 0 HA HIS A 3 -49.674 -41.438 65.012 1.00 3.32 H new ATOM 0 HB2 HIS A 3 -50.393 -43.800 65.296 1.00 73.11 H new ATOM 0 HB3 HIS A 3 -51.840 -43.473 64.362 1.00 73.11 H new ATOM 0 HD2 HIS A 3 -47.974 -43.894 63.756 1.00 63.21 H new ATOM 0 HE1 HIS A 3 -49.927 -43.877 59.998 1.00 11.43 H new ATOM 0 HE2 HIS A 3 -47.702 -44.219 61.188 1.00 71.33 H new ATOM 45 N HIS A 4 -50.869 -39.530 63.805 1.00 60.35 N ATOM 46 CA HIS A 4 -51.380 -38.474 62.925 1.00 52.55 C ATOM 47 C HIS A 4 -50.331 -38.141 61.850 1.00 2.31 C ATOM 48 O HIS A 4 -49.288 -37.546 62.155 1.00 13.31 O ATOM 49 CB HIS A 4 -51.731 -37.224 63.766 1.00 65.51 C ATOM 50 CG HIS A 4 -52.142 -36.022 62.956 1.00 41.53 C ATOM 51 ND1 HIS A 4 -51.331 -34.923 62.785 1.00 21.04 N ATOM 52 CD2 HIS A 4 -53.270 -35.764 62.256 1.00 12.13 C ATOM 53 CE1 HIS A 4 -51.941 -34.047 62.020 1.00 10.54 C ATOM 54 NE2 HIS A 4 -53.117 -34.535 61.687 1.00 51.24 N ATOM 0 H HIS A 4 -50.094 -39.225 64.394 1.00 60.35 H new ATOM 0 HA HIS A 4 -52.285 -38.817 62.424 1.00 52.55 H new ATOM 0 HB2 HIS A 4 -52.539 -37.478 64.452 1.00 65.51 H new ATOM 0 HB3 HIS A 4 -50.868 -36.958 64.376 1.00 65.51 H new ATOM 0 HD2 HIS A 4 -54.130 -36.410 62.165 1.00 12.13 H new ATOM 0 HE1 HIS A 4 -51.545 -33.089 61.716 1.00 10.54 H new ATOM 0 HE2 HIS A 4 -53.805 -34.068 61.097 1.00 51.24 H new ATOM 63 N HIS A 5 -50.610 -38.546 60.604 1.00 21.40 N ATOM 64 CA HIS A 5 -49.728 -38.266 59.462 1.00 71.32 C ATOM 65 C HIS A 5 -50.105 -36.904 58.835 1.00 24.43 C ATOM 66 O HIS A 5 -51.274 -36.667 58.503 1.00 15.02 O ATOM 67 CB HIS A 5 -49.790 -39.416 58.412 1.00 25.54 C ATOM 68 CG HIS A 5 -51.146 -39.670 57.800 1.00 74.45 C ATOM 69 ND1 HIS A 5 -51.567 -39.072 56.635 1.00 21.43 N ATOM 70 CD2 HIS A 5 -52.175 -40.455 58.199 1.00 42.52 C ATOM 71 CE1 HIS A 5 -52.787 -39.469 56.351 1.00 4.32 C ATOM 72 NE2 HIS A 5 -53.182 -40.311 57.284 1.00 23.44 N ATOM 0 H HIS A 5 -51.448 -39.074 60.359 1.00 21.40 H new ATOM 0 HA HIS A 5 -48.698 -38.211 59.814 1.00 71.32 H new ATOM 0 HB2 HIS A 5 -49.087 -39.190 57.611 1.00 25.54 H new ATOM 0 HB3 HIS A 5 -49.448 -40.336 58.887 1.00 25.54 H new ATOM 0 HD2 HIS A 5 -52.197 -41.081 59.079 1.00 42.52 H new ATOM 0 HE1 HIS A 5 -53.368 -39.157 55.496 1.00 4.32 H new ATOM 0 HE2 HIS A 5 -54.088 -40.778 57.319 1.00 23.44 H new ATOM 81 N HIS A 6 -49.115 -36.006 58.732 1.00 24.13 N ATOM 82 CA HIS A 6 -49.270 -34.704 58.061 1.00 45.33 C ATOM 83 C HIS A 6 -47.961 -34.345 57.342 1.00 23.12 C ATOM 84 O HIS A 6 -46.962 -33.983 57.982 1.00 4.11 O ATOM 85 CB HIS A 6 -49.675 -33.583 59.059 1.00 11.41 C ATOM 86 CG HIS A 6 -49.840 -32.217 58.414 1.00 21.21 C ATOM 87 ND1 HIS A 6 -50.953 -31.862 57.681 1.00 52.31 N ATOM 88 CD2 HIS A 6 -49.019 -31.135 58.375 1.00 31.32 C ATOM 89 CE1 HIS A 6 -50.806 -30.633 57.220 1.00 61.44 C ATOM 90 NE2 HIS A 6 -49.642 -30.171 57.627 1.00 34.31 N ATOM 0 H HIS A 6 -48.181 -36.161 59.112 1.00 24.13 H new ATOM 0 HA HIS A 6 -50.077 -34.786 57.332 1.00 45.33 H new ATOM 0 HB2 HIS A 6 -50.611 -33.861 59.543 1.00 11.41 H new ATOM 0 HB3 HIS A 6 -48.919 -33.516 59.842 1.00 11.41 H new ATOM 0 HD2 HIS A 6 -48.052 -31.050 58.848 1.00 31.32 H new ATOM 0 HE1 HIS A 6 -51.520 -30.097 56.612 1.00 61.44 H new ATOM 0 HE2 HIS A 6 -49.266 -29.246 57.419 1.00 34.31 H new ATOM 99 N HIS A 7 -47.991 -34.486 56.013 1.00 65.44 N ATOM 100 CA HIS A 7 -46.906 -34.099 55.105 1.00 60.51 C ATOM 101 C HIS A 7 -47.484 -34.091 53.674 1.00 63.42 C ATOM 102 O HIS A 7 -48.133 -35.060 53.259 1.00 61.41 O ATOM 103 CB HIS A 7 -45.668 -35.050 55.222 1.00 31.41 C ATOM 104 CG HIS A 7 -45.898 -36.474 54.767 1.00 51.31 C ATOM 105 ND1 HIS A 7 -45.149 -37.070 53.777 1.00 43.42 N ATOM 106 CD2 HIS A 7 -46.811 -37.402 55.145 1.00 62.41 C ATOM 107 CE1 HIS A 7 -45.596 -38.284 53.563 1.00 14.15 C ATOM 108 NE2 HIS A 7 -46.604 -38.514 54.375 1.00 24.42 N ATOM 0 H HIS A 7 -48.794 -34.884 55.525 1.00 65.44 H new ATOM 0 HA HIS A 7 -46.536 -33.109 55.372 1.00 60.51 H new ATOM 0 HB2 HIS A 7 -44.850 -34.628 54.638 1.00 31.41 H new ATOM 0 HB3 HIS A 7 -45.341 -35.067 56.262 1.00 31.41 H new ATOM 0 HD2 HIS A 7 -47.563 -37.285 55.912 1.00 62.41 H new ATOM 0 HE1 HIS A 7 -45.201 -38.981 52.838 1.00 14.15 H new ATOM 0 HE2 HIS A 7 -47.143 -39.379 54.423 1.00 24.42 H new ATOM 117 N HIS A 8 -47.291 -32.986 52.945 1.00 4.45 N ATOM 118 CA HIS A 8 -47.869 -32.806 51.599 1.00 1.02 C ATOM 119 C HIS A 8 -46.932 -31.920 50.770 1.00 22.25 C ATOM 120 O HIS A 8 -47.114 -30.697 50.680 1.00 73.11 O ATOM 121 CB HIS A 8 -49.301 -32.204 51.708 1.00 72.13 C ATOM 122 CG HIS A 8 -50.047 -32.104 50.399 1.00 43.33 C ATOM 123 ND1 HIS A 8 -49.838 -31.086 49.492 1.00 12.05 N ATOM 124 CD2 HIS A 8 -51.002 -32.895 49.849 1.00 31.20 C ATOM 125 CE1 HIS A 8 -50.625 -31.259 48.453 1.00 75.43 C ATOM 126 NE2 HIS A 8 -51.338 -32.347 48.642 1.00 2.44 N ATOM 0 H HIS A 8 -46.734 -32.193 53.264 1.00 4.45 H new ATOM 0 HA HIS A 8 -47.964 -33.768 51.095 1.00 1.02 H new ATOM 0 HB2 HIS A 8 -49.885 -32.814 52.397 1.00 72.13 H new ATOM 0 HB3 HIS A 8 -49.229 -31.208 52.146 1.00 72.13 H new ATOM 0 HD1 HIS A 8 -49.176 -30.319 49.609 1.00 12.05 H new ATOM 0 HD2 HIS A 8 -51.419 -33.791 50.284 1.00 31.20 H new ATOM 0 HE1 HIS A 8 -50.677 -30.614 47.588 1.00 75.43 H new ATOM 135 N SER A 9 -45.886 -32.549 50.221 1.00 45.52 N ATOM 136 CA SER A 9 -44.830 -31.856 49.472 1.00 44.35 C ATOM 137 C SER A 9 -45.270 -31.580 48.020 1.00 3.31 C ATOM 138 O SER A 9 -45.338 -32.494 47.192 1.00 0.11 O ATOM 139 CB SER A 9 -43.526 -32.692 49.504 1.00 53.03 C ATOM 140 OG SER A 9 -42.449 -32.030 48.849 1.00 44.44 O ATOM 0 H SER A 9 -45.747 -33.558 50.284 1.00 45.52 H new ATOM 0 HA SER A 9 -44.642 -30.893 49.947 1.00 44.35 H new ATOM 0 HB2 SER A 9 -43.251 -32.894 50.539 1.00 53.03 H new ATOM 0 HB3 SER A 9 -43.702 -33.656 49.027 1.00 53.03 H new ATOM 0 HG SER A 9 -41.646 -32.590 48.893 1.00 44.44 H new ATOM 146 N HIS A 10 -45.604 -30.315 47.748 1.00 41.35 N ATOM 147 CA HIS A 10 -45.847 -29.799 46.392 1.00 14.42 C ATOM 148 C HIS A 10 -44.850 -28.650 46.157 1.00 53.11 C ATOM 149 O HIS A 10 -45.191 -27.469 46.290 1.00 53.21 O ATOM 150 CB HIS A 10 -47.324 -29.336 46.247 1.00 11.32 C ATOM 151 CG HIS A 10 -47.724 -28.894 44.859 1.00 1.31 C ATOM 152 ND1 HIS A 10 -47.941 -27.575 44.513 1.00 63.01 N ATOM 153 CD2 HIS A 10 -47.976 -29.614 43.740 1.00 11.41 C ATOM 154 CE1 HIS A 10 -48.308 -27.512 43.249 1.00 22.30 C ATOM 155 NE2 HIS A 10 -48.337 -28.730 42.761 1.00 64.41 N ATOM 0 H HIS A 10 -45.716 -29.607 48.474 1.00 41.35 H new ATOM 0 HA HIS A 10 -45.694 -30.572 45.639 1.00 14.42 H new ATOM 0 HB2 HIS A 10 -47.976 -30.154 46.553 1.00 11.32 H new ATOM 0 HB3 HIS A 10 -47.500 -28.512 46.939 1.00 11.32 H new ATOM 0 HD2 HIS A 10 -47.905 -30.687 43.639 1.00 11.41 H new ATOM 0 HE1 HIS A 10 -48.545 -26.609 42.706 1.00 22.30 H new ATOM 0 HE2 HIS A 10 -48.589 -28.978 41.804 1.00 64.41 H new ATOM 164 N MET A 11 -43.587 -29.031 45.890 1.00 13.34 N ATOM 165 CA MET A 11 -42.448 -28.092 45.792 1.00 73.44 C ATOM 166 C MET A 11 -42.222 -27.652 44.326 1.00 21.24 C ATOM 167 O MET A 11 -42.051 -28.512 43.452 1.00 71.12 O ATOM 168 CB MET A 11 -41.170 -28.761 46.378 1.00 54.23 C ATOM 169 CG MET A 11 -41.217 -29.006 47.896 1.00 44.14 C ATOM 170 SD MET A 11 -39.736 -29.835 48.525 1.00 73.13 S ATOM 171 CE MET A 11 -38.421 -28.717 48.032 1.00 1.34 C ATOM 0 H MET A 11 -43.324 -30.004 45.735 1.00 13.34 H new ATOM 0 HA MET A 11 -42.674 -27.197 46.371 1.00 73.44 H new ATOM 0 HB2 MET A 11 -41.010 -29.714 45.874 1.00 54.23 H new ATOM 0 HB3 MET A 11 -40.309 -28.132 46.151 1.00 54.23 H new ATOM 0 HG2 MET A 11 -41.338 -28.052 48.409 1.00 44.14 H new ATOM 0 HG3 MET A 11 -42.093 -29.609 48.134 1.00 44.14 H new ATOM 0 HE1 MET A 11 -37.515 -28.953 48.590 1.00 1.34 H new ATOM 0 HE2 MET A 11 -38.230 -28.829 46.965 1.00 1.34 H new ATOM 0 HE3 MET A 11 -38.719 -27.690 48.242 1.00 1.34 H new ATOM 181 N PRO A 12 -42.249 -26.308 44.024 1.00 54.02 N ATOM 182 CA PRO A 12 -42.011 -25.794 42.652 1.00 23.24 C ATOM 183 C PRO A 12 -40.519 -25.924 42.248 1.00 62.14 C ATOM 184 O PRO A 12 -39.640 -25.288 42.851 1.00 1.02 O ATOM 185 CB PRO A 12 -42.487 -24.315 42.736 1.00 32.10 C ATOM 186 CG PRO A 12 -42.317 -23.929 44.181 1.00 24.11 C ATOM 187 CD PRO A 12 -42.519 -25.198 44.993 1.00 23.45 C ATOM 0 HA PRO A 12 -42.543 -26.352 41.882 1.00 23.24 H new ATOM 0 HB2 PRO A 12 -41.895 -23.673 42.084 1.00 32.10 H new ATOM 0 HB3 PRO A 12 -43.526 -24.217 42.421 1.00 32.10 H new ATOM 0 HG2 PRO A 12 -41.326 -23.510 44.357 1.00 24.11 H new ATOM 0 HG3 PRO A 12 -43.041 -23.166 44.467 1.00 24.11 H new ATOM 0 HD2 PRO A 12 -41.838 -25.238 45.843 1.00 23.45 H new ATOM 0 HD3 PRO A 12 -43.531 -25.257 45.393 1.00 23.45 H new ATOM 195 N ASN A 13 -40.246 -26.769 41.237 1.00 73.52 N ATOM 196 CA ASN A 13 -38.871 -27.098 40.800 1.00 33.25 C ATOM 197 C ASN A 13 -38.802 -27.256 39.271 1.00 22.22 C ATOM 198 O ASN A 13 -39.767 -27.712 38.643 1.00 73.54 O ATOM 199 CB ASN A 13 -38.383 -28.400 41.504 1.00 31.14 C ATOM 200 CG ASN A 13 -37.006 -28.884 41.020 1.00 12.32 C ATOM 201 OD1 ASN A 13 -36.900 -29.717 40.117 1.00 33.11 O ATOM 202 ND2 ASN A 13 -35.941 -28.341 41.586 1.00 4.23 N ATOM 0 H ASN A 13 -40.970 -27.244 40.698 1.00 73.52 H new ATOM 0 HA ASN A 13 -38.215 -26.275 41.084 1.00 33.25 H new ATOM 0 HB2 ASN A 13 -38.340 -28.227 42.579 1.00 31.14 H new ATOM 0 HB3 ASN A 13 -39.116 -29.190 41.337 1.00 31.14 H new ATOM 0 HD21 ASN A 13 -35.007 -28.609 41.277 1.00 4.23 H new ATOM 0 HD22 ASN A 13 -36.054 -27.654 42.331 1.00 4.23 H new ATOM 209 N GLY A 14 -37.646 -26.868 38.694 1.00 33.52 N ATOM 210 CA GLY A 14 -37.343 -27.098 37.281 1.00 21.12 C ATOM 211 C GLY A 14 -37.590 -25.877 36.414 1.00 2.22 C ATOM 212 O GLY A 14 -38.397 -25.008 36.762 1.00 75.12 O ATOM 0 H GLY A 14 -36.902 -26.388 39.201 1.00 33.52 H new ATOM 0 HA2 GLY A 14 -36.300 -27.401 37.184 1.00 21.12 H new ATOM 0 HA3 GLY A 14 -37.951 -27.925 36.915 1.00 21.12 H new ATOM 216 N LYS A 15 -36.869 -25.812 35.280 1.00 23.31 N ATOM 217 CA LYS A 15 -37.016 -24.764 34.252 1.00 64.00 C ATOM 218 C LYS A 15 -37.055 -25.454 32.881 1.00 52.43 C ATOM 219 O LYS A 15 -36.071 -26.071 32.457 1.00 61.45 O ATOM 220 CB LYS A 15 -35.858 -23.729 34.326 1.00 24.32 C ATOM 221 CG LYS A 15 -35.824 -22.902 35.634 1.00 30.15 C ATOM 222 CD LYS A 15 -34.650 -21.898 35.683 1.00 71.12 C ATOM 223 CE LYS A 15 -34.597 -21.114 37.008 1.00 53.32 C ATOM 224 NZ LYS A 15 -34.371 -22.003 38.183 1.00 74.32 N ATOM 0 H LYS A 15 -36.153 -26.500 35.047 1.00 23.31 H new ATOM 0 HA LYS A 15 -37.938 -24.208 34.419 1.00 64.00 H new ATOM 0 HB2 LYS A 15 -34.909 -24.255 34.218 1.00 24.32 H new ATOM 0 HB3 LYS A 15 -35.942 -23.046 33.481 1.00 24.32 H new ATOM 0 HG2 LYS A 15 -36.764 -22.359 35.739 1.00 30.15 H new ATOM 0 HG3 LYS A 15 -35.751 -23.580 36.484 1.00 30.15 H new ATOM 0 HD2 LYS A 15 -33.711 -22.435 35.545 1.00 71.12 H new ATOM 0 HD3 LYS A 15 -34.741 -21.197 34.853 1.00 71.12 H new ATOM 0 HE2 LYS A 15 -33.799 -20.373 36.957 1.00 53.32 H new ATOM 0 HE3 LYS A 15 -35.531 -20.568 37.142 1.00 53.32 H new ATOM 0 HZ1 LYS A 15 -34.191 -21.423 39.027 1.00 74.32 H new ATOM 0 HZ2 LYS A 15 -35.214 -22.592 38.340 1.00 74.32 H new ATOM 0 HZ3 LYS A 15 -33.550 -22.615 38.002 1.00 74.32 H new ATOM 238 N LEU A 16 -38.211 -25.353 32.213 1.00 45.12 N ATOM 239 CA LEU A 16 -38.543 -26.159 31.024 1.00 60.35 C ATOM 240 C LEU A 16 -37.679 -25.780 29.800 1.00 2.00 C ATOM 241 O LEU A 16 -37.169 -26.664 29.102 1.00 63.14 O ATOM 242 CB LEU A 16 -40.065 -26.027 30.692 1.00 32.45 C ATOM 243 CG LEU A 16 -41.085 -26.771 31.635 1.00 45.44 C ATOM 244 CD1 LEU A 16 -40.829 -28.289 31.670 1.00 74.24 C ATOM 245 CD2 LEU A 16 -41.109 -26.181 33.063 1.00 23.34 C ATOM 0 H LEU A 16 -38.951 -24.705 32.482 1.00 45.12 H new ATOM 0 HA LEU A 16 -38.318 -27.199 31.259 1.00 60.35 H new ATOM 0 HB2 LEU A 16 -40.318 -24.967 30.693 1.00 32.45 H new ATOM 0 HB3 LEU A 16 -40.220 -26.391 29.676 1.00 32.45 H new ATOM 0 HG LEU A 16 -42.073 -26.608 31.204 1.00 45.44 H new ATOM 0 HD11 LEU A 16 -41.553 -28.765 32.331 1.00 74.24 H new ATOM 0 HD12 LEU A 16 -40.931 -28.698 30.665 1.00 74.24 H new ATOM 0 HD13 LEU A 16 -39.821 -28.480 32.039 1.00 74.24 H new ATOM 0 HD21 LEU A 16 -41.828 -26.730 33.671 1.00 23.34 H new ATOM 0 HD22 LEU A 16 -40.118 -26.265 33.508 1.00 23.34 H new ATOM 0 HD23 LEU A 16 -41.398 -25.131 33.018 1.00 23.34 H new ATOM 257 N LYS A 17 -37.494 -24.465 29.573 1.00 22.03 N ATOM 258 CA LYS A 17 -36.830 -23.941 28.362 1.00 54.33 C ATOM 259 C LYS A 17 -35.949 -22.717 28.688 1.00 43.54 C ATOM 260 O LYS A 17 -35.970 -22.198 29.814 1.00 73.35 O ATOM 261 CB LYS A 17 -37.908 -23.624 27.264 1.00 31.14 C ATOM 262 CG LYS A 17 -39.051 -22.627 27.648 1.00 30.03 C ATOM 263 CD LYS A 17 -38.661 -21.131 27.511 1.00 15.43 C ATOM 264 CE LYS A 17 -39.811 -20.175 27.866 1.00 45.01 C ATOM 265 NZ LYS A 17 -40.255 -20.303 29.282 1.00 23.50 N ATOM 0 H LYS A 17 -37.799 -23.738 30.221 1.00 22.03 H new ATOM 0 HA LYS A 17 -36.158 -24.703 27.967 1.00 54.33 H new ATOM 0 HB2 LYS A 17 -37.392 -23.226 26.390 1.00 31.14 H new ATOM 0 HB3 LYS A 17 -38.368 -24.565 26.962 1.00 31.14 H new ATOM 0 HG2 LYS A 17 -39.918 -22.824 27.017 1.00 30.03 H new ATOM 0 HG3 LYS A 17 -39.355 -22.819 28.677 1.00 30.03 H new ATOM 0 HD2 LYS A 17 -37.810 -20.923 28.159 1.00 15.43 H new ATOM 0 HD3 LYS A 17 -38.338 -20.938 26.488 1.00 15.43 H new ATOM 0 HE2 LYS A 17 -39.494 -19.149 27.681 1.00 45.01 H new ATOM 0 HE3 LYS A 17 -40.656 -20.371 27.206 1.00 45.01 H new ATOM 0 HZ1 LYS A 17 -40.996 -19.600 29.478 1.00 23.50 H new ATOM 0 HZ2 LYS A 17 -40.632 -21.259 29.442 1.00 23.50 H new ATOM 0 HZ3 LYS A 17 -39.447 -20.139 29.915 1.00 23.50 H new ATOM 279 N CYS A 18 -35.178 -22.263 27.681 1.00 15.23 N ATOM 280 CA CYS A 18 -34.330 -21.058 27.766 1.00 74.44 C ATOM 281 C CYS A 18 -34.425 -20.278 26.439 1.00 51.14 C ATOM 282 O CYS A 18 -34.254 -20.861 25.359 1.00 11.54 O ATOM 283 CB CYS A 18 -32.867 -21.453 28.084 1.00 3.31 C ATOM 284 SG CYS A 18 -32.161 -22.650 26.930 1.00 33.02 S ATOM 0 H CYS A 18 -35.126 -22.728 26.775 1.00 15.23 H new ATOM 0 HA CYS A 18 -34.680 -20.416 28.574 1.00 74.44 H new ATOM 0 HB2 CYS A 18 -32.250 -20.554 28.082 1.00 3.31 H new ATOM 0 HB3 CYS A 18 -32.824 -21.866 29.092 1.00 3.31 H new ATOM 0 HG CYS A 18 -32.671 -22.466 25.748 1.00 33.02 H new ATOM 290 N ASP A 19 -34.710 -18.964 26.537 1.00 70.11 N ATOM 291 CA ASP A 19 -34.965 -18.084 25.379 1.00 54.22 C ATOM 292 C ASP A 19 -33.699 -17.917 24.512 1.00 20.43 C ATOM 293 O ASP A 19 -32.621 -17.622 25.037 1.00 12.02 O ATOM 294 CB ASP A 19 -35.471 -16.709 25.893 1.00 12.44 C ATOM 295 CG ASP A 19 -35.785 -15.699 24.780 1.00 35.14 C ATOM 296 OD1 ASP A 19 -36.798 -15.872 24.080 1.00 41.12 O ATOM 297 OD2 ASP A 19 -35.030 -14.728 24.602 1.00 13.13 O ATOM 0 H ASP A 19 -34.770 -18.479 27.432 1.00 70.11 H new ATOM 0 HA ASP A 19 -35.727 -18.539 24.746 1.00 54.22 H new ATOM 0 HB2 ASP A 19 -36.369 -16.865 26.491 1.00 12.44 H new ATOM 0 HB3 ASP A 19 -34.718 -16.281 26.555 1.00 12.44 H new ATOM 302 N VAL A 20 -33.841 -18.135 23.187 1.00 61.13 N ATOM 303 CA VAL A 20 -32.722 -18.017 22.229 1.00 4.15 C ATOM 304 C VAL A 20 -32.389 -16.535 21.955 1.00 62.32 C ATOM 305 O VAL A 20 -33.284 -15.692 21.862 1.00 54.21 O ATOM 306 CB VAL A 20 -33.007 -18.781 20.873 1.00 25.40 C ATOM 307 CG1 VAL A 20 -33.156 -20.301 21.116 1.00 22.34 C ATOM 308 CG2 VAL A 20 -34.244 -18.214 20.129 1.00 42.42 C ATOM 0 H VAL A 20 -34.727 -18.396 22.754 1.00 61.13 H new ATOM 0 HA VAL A 20 -31.858 -18.493 22.692 1.00 4.15 H new ATOM 0 HB VAL A 20 -32.144 -18.619 20.227 1.00 25.40 H new ATOM 0 HG11 VAL A 20 -33.351 -20.803 20.169 1.00 22.34 H new ATOM 0 HG12 VAL A 20 -32.236 -20.692 21.551 1.00 22.34 H new ATOM 0 HG13 VAL A 20 -33.986 -20.481 21.800 1.00 22.34 H new ATOM 0 HG21 VAL A 20 -34.399 -18.770 19.205 1.00 42.42 H new ATOM 0 HG22 VAL A 20 -35.126 -18.310 20.763 1.00 42.42 H new ATOM 0 HG23 VAL A 20 -34.078 -17.162 19.896 1.00 42.42 H new ATOM 318 N CYS A 21 -31.089 -16.229 21.857 1.00 2.50 N ATOM 319 CA CYS A 21 -30.594 -14.876 21.574 1.00 32.15 C ATOM 320 C CYS A 21 -29.560 -14.960 20.442 1.00 20.13 C ATOM 321 O CYS A 21 -28.413 -15.381 20.664 1.00 15.40 O ATOM 322 CB CYS A 21 -29.982 -14.250 22.848 1.00 42.14 C ATOM 323 SG CYS A 21 -29.454 -12.536 22.642 1.00 62.21 S ATOM 0 H CYS A 21 -30.346 -16.918 21.973 1.00 2.50 H new ATOM 0 HA CYS A 21 -31.417 -14.234 21.260 1.00 32.15 H new ATOM 0 HB2 CYS A 21 -30.715 -14.299 23.653 1.00 42.14 H new ATOM 0 HB3 CYS A 21 -29.126 -14.848 23.159 1.00 42.14 H new ATOM 0 HG CYS A 21 -28.957 -12.098 23.761 1.00 62.21 H new ATOM 329 N GLY A 22 -29.989 -14.596 19.218 1.00 44.33 N ATOM 330 CA GLY A 22 -29.133 -14.695 18.035 1.00 62.14 C ATOM 331 C GLY A 22 -29.653 -13.853 16.877 1.00 1.21 C ATOM 332 O GLY A 22 -30.867 -13.766 16.664 1.00 35.31 O ATOM 0 H GLY A 22 -30.923 -14.232 19.030 1.00 44.33 H new ATOM 0 HA2 GLY A 22 -28.123 -14.374 18.291 1.00 62.14 H new ATOM 0 HA3 GLY A 22 -29.066 -15.737 17.723 1.00 62.14 H new ATOM 336 N MET A 23 -28.721 -13.249 16.124 1.00 62.45 N ATOM 337 CA MET A 23 -29.019 -12.322 15.021 1.00 61.32 C ATOM 338 C MET A 23 -28.051 -12.606 13.860 1.00 53.44 C ATOM 339 O MET A 23 -26.840 -12.385 13.996 1.00 53.14 O ATOM 340 CB MET A 23 -28.876 -10.855 15.520 1.00 53.41 C ATOM 341 CG MET A 23 -29.146 -9.772 14.461 1.00 14.32 C ATOM 342 SD MET A 23 -29.007 -8.096 15.134 1.00 44.30 S ATOM 343 CE MET A 23 -29.334 -7.094 13.681 1.00 41.23 C ATOM 0 H MET A 23 -27.721 -13.394 16.267 1.00 62.45 H new ATOM 0 HA MET A 23 -30.042 -12.464 14.672 1.00 61.32 H new ATOM 0 HB2 MET A 23 -29.561 -10.704 16.354 1.00 53.41 H new ATOM 0 HB3 MET A 23 -27.867 -10.717 15.908 1.00 53.41 H new ATOM 0 HG2 MET A 23 -28.441 -9.889 13.638 1.00 14.32 H new ATOM 0 HG3 MET A 23 -30.145 -9.913 14.048 1.00 14.32 H new ATOM 0 HE1 MET A 23 -29.281 -6.038 13.948 1.00 41.23 H new ATOM 0 HE2 MET A 23 -28.591 -7.312 12.914 1.00 41.23 H new ATOM 0 HE3 MET A 23 -30.329 -7.322 13.298 1.00 41.23 H new ATOM 353 N VAL A 24 -28.583 -13.119 12.734 1.00 53.53 N ATOM 354 CA VAL A 24 -27.774 -13.483 11.552 1.00 21.31 C ATOM 355 C VAL A 24 -28.436 -12.963 10.258 1.00 55.34 C ATOM 356 O VAL A 24 -29.660 -13.038 10.087 1.00 62.20 O ATOM 357 CB VAL A 24 -27.538 -15.047 11.465 1.00 61.44 C ATOM 358 CG1 VAL A 24 -28.862 -15.843 11.402 1.00 73.20 C ATOM 359 CG2 VAL A 24 -26.598 -15.421 10.286 1.00 65.23 C ATOM 0 H VAL A 24 -29.581 -13.293 12.617 1.00 53.53 H new ATOM 0 HA VAL A 24 -26.800 -13.007 11.662 1.00 21.31 H new ATOM 0 HB VAL A 24 -27.040 -15.335 12.391 1.00 61.44 H new ATOM 0 HG11 VAL A 24 -28.643 -16.909 11.343 1.00 73.20 H new ATOM 0 HG12 VAL A 24 -29.450 -15.642 12.297 1.00 73.20 H new ATOM 0 HG13 VAL A 24 -29.427 -15.540 10.521 1.00 73.20 H new ATOM 0 HG21 VAL A 24 -26.460 -16.502 10.259 1.00 65.23 H new ATOM 0 HG22 VAL A 24 -27.041 -15.088 9.347 1.00 65.23 H new ATOM 0 HG23 VAL A 24 -25.632 -14.935 10.423 1.00 65.23 H new ATOM 369 N CYS A 25 -27.604 -12.389 9.379 1.00 34.21 N ATOM 370 CA CYS A 25 -27.987 -11.992 8.019 1.00 63.22 C ATOM 371 C CYS A 25 -26.914 -12.502 7.045 1.00 43.13 C ATOM 372 O CYS A 25 -25.748 -12.072 7.108 1.00 21.12 O ATOM 373 CB CYS A 25 -28.121 -10.457 7.920 1.00 33.02 C ATOM 374 SG CYS A 25 -26.638 -9.550 8.423 1.00 15.40 S ATOM 0 H CYS A 25 -26.629 -12.184 9.598 1.00 34.21 H new ATOM 0 HA CYS A 25 -28.954 -12.426 7.766 1.00 63.22 H new ATOM 0 HB2 CYS A 25 -28.365 -10.190 6.892 1.00 33.02 H new ATOM 0 HB3 CYS A 25 -28.958 -10.136 8.540 1.00 33.02 H new ATOM 0 HG CYS A 25 -25.580 -10.227 8.086 1.00 15.40 H new ATOM 380 N ILE A 26 -27.293 -13.446 6.170 1.00 44.23 N ATOM 381 CA ILE A 26 -26.383 -13.999 5.141 1.00 33.50 C ATOM 382 C ILE A 26 -26.424 -13.136 3.857 1.00 35.33 C ATOM 383 O ILE A 26 -27.203 -12.178 3.758 1.00 54.54 O ATOM 384 CB ILE A 26 -26.740 -15.494 4.801 1.00 52.05 C ATOM 385 CG1 ILE A 26 -28.195 -15.613 4.232 1.00 25.41 C ATOM 386 CG2 ILE A 26 -26.540 -16.400 6.041 1.00 63.12 C ATOM 387 CD1 ILE A 26 -28.599 -17.013 3.785 1.00 54.13 C ATOM 0 H ILE A 26 -28.230 -13.848 6.151 1.00 44.23 H new ATOM 0 HA ILE A 26 -25.373 -13.977 5.549 1.00 33.50 H new ATOM 0 HB ILE A 26 -26.058 -15.838 4.023 1.00 52.05 H new ATOM 0 HG12 ILE A 26 -28.896 -15.275 4.995 1.00 25.41 H new ATOM 0 HG13 ILE A 26 -28.294 -14.934 3.385 1.00 25.41 H new ATOM 0 HG21 ILE A 26 -26.792 -17.429 5.784 1.00 63.12 H new ATOM 0 HG22 ILE A 26 -25.500 -16.351 6.363 1.00 63.12 H new ATOM 0 HG23 ILE A 26 -27.187 -16.059 6.849 1.00 63.12 H new ATOM 0 HD11 ILE A 26 -29.621 -16.993 3.407 1.00 54.13 H new ATOM 0 HD12 ILE A 26 -27.927 -17.351 2.996 1.00 54.13 H new ATOM 0 HD13 ILE A 26 -28.538 -17.697 4.632 1.00 54.13 H new ATOM 399 N GLY A 27 -25.582 -13.496 2.880 1.00 40.15 N ATOM 400 CA GLY A 27 -25.483 -12.776 1.615 1.00 64.15 C ATOM 401 C GLY A 27 -24.813 -13.643 0.560 1.00 5.24 C ATOM 402 O GLY A 27 -23.710 -14.134 0.822 1.00 13.02 O ATOM 0 H GLY A 27 -24.952 -14.295 2.949 1.00 40.15 H new ATOM 0 HA2 GLY A 27 -26.477 -12.485 1.277 1.00 64.15 H new ATOM 0 HA3 GLY A 27 -24.912 -11.858 1.756 1.00 64.15 H new ATOM 406 N PRO A 28 -25.457 -13.882 -0.640 1.00 62.13 N ATOM 407 CA PRO A 28 -24.856 -14.684 -1.742 1.00 71.43 C ATOM 408 C PRO A 28 -23.485 -14.155 -2.215 1.00 31.42 C ATOM 409 O PRO A 28 -23.058 -13.048 -1.855 1.00 5.31 O ATOM 410 CB PRO A 28 -25.907 -14.579 -2.882 1.00 64.10 C ATOM 411 CG PRO A 28 -27.198 -14.303 -2.178 1.00 65.13 C ATOM 412 CD PRO A 28 -26.827 -13.426 -0.999 1.00 32.44 C ATOM 0 HA PRO A 28 -24.650 -15.704 -1.419 1.00 71.43 H new ATOM 0 HB2 PRO A 28 -25.657 -13.780 -3.580 1.00 64.10 H new ATOM 0 HB3 PRO A 28 -25.959 -15.502 -3.460 1.00 64.10 H new ATOM 0 HG2 PRO A 28 -27.906 -13.799 -2.836 1.00 65.13 H new ATOM 0 HG3 PRO A 28 -27.672 -15.227 -1.848 1.00 65.13 H new ATOM 0 HD2 PRO A 28 -26.841 -12.369 -1.266 1.00 32.44 H new ATOM 0 HD3 PRO A 28 -27.522 -13.554 -0.169 1.00 32.44 H new ATOM 420 N ASN A 29 -22.835 -14.938 -3.087 1.00 62.01 N ATOM 421 CA ASN A 29 -21.500 -14.613 -3.639 1.00 51.31 C ATOM 422 C ASN A 29 -21.596 -13.607 -4.811 1.00 62.42 C ATOM 423 O ASN A 29 -20.692 -13.546 -5.616 1.00 14.13 O ATOM 424 CB ASN A 29 -20.757 -15.910 -4.107 1.00 24.14 C ATOM 425 CG ASN A 29 -20.375 -16.863 -2.969 1.00 43.22 C ATOM 426 OD1 ASN A 29 -21.073 -16.974 -1.966 1.00 24.50 O ATOM 427 ND2 ASN A 29 -19.248 -17.553 -3.112 1.00 65.30 N ATOM 0 H ASN A 29 -23.216 -15.818 -3.434 1.00 62.01 H new ATOM 0 HA ASN A 29 -20.926 -14.147 -2.838 1.00 51.31 H new ATOM 0 HB2 ASN A 29 -21.392 -16.443 -4.814 1.00 24.14 H new ATOM 0 HB3 ASN A 29 -19.853 -15.623 -4.644 1.00 24.14 H new ATOM 0 HD21 ASN A 29 -18.945 -18.193 -2.378 1.00 65.30 H new ATOM 0 HD22 ASN A 29 -18.686 -17.442 -3.956 1.00 65.30 H new ATOM 434 N VAL A 30 -22.663 -12.790 -4.853 1.00 62.00 N ATOM 435 CA VAL A 30 -22.924 -11.815 -5.940 1.00 1.02 C ATOM 436 C VAL A 30 -21.744 -10.829 -6.149 1.00 32.42 C ATOM 437 O VAL A 30 -21.393 -10.503 -7.291 1.00 75.22 O ATOM 438 CB VAL A 30 -24.260 -11.024 -5.658 1.00 62.13 C ATOM 439 CG1 VAL A 30 -24.202 -10.273 -4.308 1.00 24.22 C ATOM 440 CG2 VAL A 30 -24.628 -10.067 -6.822 1.00 22.02 C ATOM 0 H VAL A 30 -23.380 -12.784 -4.127 1.00 62.00 H new ATOM 0 HA VAL A 30 -23.031 -12.385 -6.863 1.00 1.02 H new ATOM 0 HB VAL A 30 -25.057 -11.765 -5.589 1.00 62.13 H new ATOM 0 HG11 VAL A 30 -25.139 -9.740 -4.148 1.00 24.22 H new ATOM 0 HG12 VAL A 30 -24.049 -10.988 -3.500 1.00 24.22 H new ATOM 0 HG13 VAL A 30 -23.377 -9.561 -4.323 1.00 24.22 H new ATOM 0 HG21 VAL A 30 -25.554 -9.544 -6.584 1.00 22.02 H new ATOM 0 HG22 VAL A 30 -23.827 -9.341 -6.963 1.00 22.02 H new ATOM 0 HG23 VAL A 30 -24.761 -10.643 -7.738 1.00 22.02 H new ATOM 450 N LEU A 31 -21.124 -10.394 -5.033 1.00 53.45 N ATOM 451 CA LEU A 31 -19.986 -9.454 -5.038 1.00 24.53 C ATOM 452 C LEU A 31 -18.737 -10.179 -5.588 1.00 20.43 C ATOM 453 O LEU A 31 -17.955 -9.608 -6.362 1.00 75.14 O ATOM 454 CB LEU A 31 -19.795 -8.905 -3.585 1.00 3.35 C ATOM 455 CG LEU A 31 -18.823 -7.686 -3.353 1.00 0.24 C ATOM 456 CD1 LEU A 31 -19.140 -6.979 -2.014 1.00 71.32 C ATOM 457 CD2 LEU A 31 -17.330 -8.103 -3.377 1.00 53.35 C ATOM 0 H LEU A 31 -21.402 -10.688 -4.096 1.00 53.45 H new ATOM 0 HA LEU A 31 -20.166 -8.599 -5.690 1.00 24.53 H new ATOM 0 HB2 LEU A 31 -20.777 -8.619 -3.209 1.00 3.35 H new ATOM 0 HB3 LEU A 31 -19.443 -9.729 -2.965 1.00 3.35 H new ATOM 0 HG LEU A 31 -18.990 -6.997 -4.181 1.00 0.24 H new ATOM 0 HD11 LEU A 31 -18.457 -6.141 -1.874 1.00 71.32 H new ATOM 0 HD12 LEU A 31 -20.166 -6.612 -2.030 1.00 71.32 H new ATOM 0 HD13 LEU A 31 -19.020 -7.685 -1.192 1.00 71.32 H new ATOM 0 HD21 LEU A 31 -16.704 -7.226 -3.212 1.00 53.35 H new ATOM 0 HD22 LEU A 31 -17.144 -8.834 -2.590 1.00 53.35 H new ATOM 0 HD23 LEU A 31 -17.091 -8.543 -4.345 1.00 53.35 H new ATOM 469 N MET A 32 -18.595 -11.458 -5.195 1.00 51.21 N ATOM 470 CA MET A 32 -17.510 -12.341 -5.653 1.00 32.04 C ATOM 471 C MET A 32 -17.617 -12.577 -7.176 1.00 50.31 C ATOM 472 O MET A 32 -16.634 -12.435 -7.883 1.00 42.52 O ATOM 473 CB MET A 32 -17.571 -13.681 -4.868 1.00 43.05 C ATOM 474 CG MET A 32 -16.447 -14.684 -5.162 1.00 13.22 C ATOM 475 SD MET A 32 -16.591 -16.195 -4.181 1.00 53.45 S ATOM 476 CE MET A 32 -16.554 -15.565 -2.496 1.00 62.42 C ATOM 0 H MET A 32 -19.237 -11.911 -4.544 1.00 51.21 H new ATOM 0 HA MET A 32 -16.547 -11.868 -5.460 1.00 32.04 H new ATOM 0 HB2 MET A 32 -17.560 -13.455 -3.802 1.00 43.05 H new ATOM 0 HB3 MET A 32 -18.525 -14.162 -5.082 1.00 43.05 H new ATOM 0 HG2 MET A 32 -16.461 -14.940 -6.221 1.00 13.22 H new ATOM 0 HG3 MET A 32 -15.484 -14.215 -4.961 1.00 13.22 H new ATOM 0 HE1 MET A 32 -16.001 -16.257 -1.861 1.00 62.42 H new ATOM 0 HE2 MET A 32 -16.065 -14.591 -2.482 1.00 62.42 H new ATOM 0 HE3 MET A 32 -17.573 -15.465 -2.123 1.00 62.42 H new ATOM 486 N VAL A 33 -18.846 -12.858 -7.660 1.00 44.34 N ATOM 487 CA VAL A 33 -19.120 -13.158 -9.080 1.00 74.22 C ATOM 488 C VAL A 33 -18.875 -11.910 -9.953 1.00 30.41 C ATOM 489 O VAL A 33 -18.364 -12.024 -11.067 1.00 42.55 O ATOM 490 CB VAL A 33 -20.599 -13.675 -9.298 1.00 12.20 C ATOM 491 CG1 VAL A 33 -20.890 -13.983 -10.787 1.00 11.21 C ATOM 492 CG2 VAL A 33 -20.898 -14.919 -8.426 1.00 22.12 C ATOM 0 H VAL A 33 -19.680 -12.883 -7.073 1.00 44.34 H new ATOM 0 HA VAL A 33 -18.436 -13.952 -9.379 1.00 74.22 H new ATOM 0 HB VAL A 33 -21.261 -12.867 -8.986 1.00 12.20 H new ATOM 0 HG11 VAL A 33 -21.916 -14.335 -10.892 1.00 11.21 H new ATOM 0 HG12 VAL A 33 -20.755 -13.078 -11.379 1.00 11.21 H new ATOM 0 HG13 VAL A 33 -20.204 -14.753 -11.140 1.00 11.21 H new ATOM 0 HG21 VAL A 33 -21.922 -15.248 -8.600 1.00 22.12 H new ATOM 0 HG22 VAL A 33 -20.209 -15.722 -8.689 1.00 22.12 H new ATOM 0 HG23 VAL A 33 -20.773 -14.664 -7.374 1.00 22.12 H new ATOM 502 N HIS A 34 -19.238 -10.723 -9.415 1.00 3.03 N ATOM 503 CA HIS A 34 -19.008 -9.425 -10.085 1.00 22.44 C ATOM 504 C HIS A 34 -17.495 -9.163 -10.258 1.00 34.52 C ATOM 505 O HIS A 34 -17.066 -8.647 -11.297 1.00 63.55 O ATOM 506 CB HIS A 34 -19.676 -8.274 -9.288 1.00 1.24 C ATOM 507 CG HIS A 34 -19.471 -6.906 -9.903 1.00 75.00 C ATOM 508 ND1 HIS A 34 -18.520 -6.015 -9.458 1.00 34.11 N ATOM 509 CD2 HIS A 34 -20.085 -6.300 -10.946 1.00 31.33 C ATOM 510 CE1 HIS A 34 -18.562 -4.926 -10.197 1.00 14.23 C ATOM 511 NE2 HIS A 34 -19.502 -5.074 -11.108 1.00 54.43 N ATOM 0 H HIS A 34 -19.697 -10.639 -8.508 1.00 3.03 H new ATOM 0 HA HIS A 34 -19.463 -9.464 -11.075 1.00 22.44 H new ATOM 0 HB2 HIS A 34 -20.745 -8.471 -9.211 1.00 1.24 H new ATOM 0 HB3 HIS A 34 -19.279 -8.269 -8.273 1.00 1.24 H new ATOM 0 HD2 HIS A 34 -20.888 -6.710 -11.541 1.00 31.33 H new ATOM 0 HE1 HIS A 34 -17.932 -4.057 -10.077 1.00 14.23 H new ATOM 0 HE2 HIS A 34 -19.754 -4.386 -11.818 1.00 54.43 H new ATOM 520 N LYS A 35 -16.711 -9.536 -9.227 1.00 51.12 N ATOM 521 CA LYS A 35 -15.241 -9.483 -9.265 1.00 24.14 C ATOM 522 C LYS A 35 -14.698 -10.424 -10.362 1.00 33.14 C ATOM 523 O LYS A 35 -13.814 -10.045 -11.136 1.00 64.03 O ATOM 524 CB LYS A 35 -14.656 -9.877 -7.875 1.00 32.15 C ATOM 525 CG LYS A 35 -13.109 -9.955 -7.816 1.00 61.23 C ATOM 526 CD LYS A 35 -12.578 -10.571 -6.495 1.00 45.32 C ATOM 527 CE LYS A 35 -11.042 -10.682 -6.476 1.00 64.35 C ATOM 528 NZ LYS A 35 -10.535 -11.334 -5.236 1.00 31.52 N ATOM 0 H LYS A 35 -17.083 -9.883 -8.343 1.00 51.12 H new ATOM 0 HA LYS A 35 -14.933 -8.464 -9.500 1.00 24.14 H new ATOM 0 HB2 LYS A 35 -14.997 -9.153 -7.135 1.00 32.15 H new ATOM 0 HB3 LYS A 35 -15.065 -10.845 -7.586 1.00 32.15 H new ATOM 0 HG2 LYS A 35 -12.749 -10.549 -8.656 1.00 61.23 H new ATOM 0 HG3 LYS A 35 -12.696 -8.953 -7.934 1.00 61.23 H new ATOM 0 HD2 LYS A 35 -12.906 -9.960 -5.654 1.00 45.32 H new ATOM 0 HD3 LYS A 35 -13.013 -11.561 -6.358 1.00 45.32 H new ATOM 0 HE2 LYS A 35 -10.711 -11.252 -7.344 1.00 64.35 H new ATOM 0 HE3 LYS A 35 -10.607 -9.686 -6.563 1.00 64.35 H new ATOM 0 HZ1 LYS A 35 -9.497 -11.385 -5.270 1.00 31.52 H new ATOM 0 HZ2 LYS A 35 -10.827 -10.778 -4.407 1.00 31.52 H new ATOM 0 HZ3 LYS A 35 -10.927 -12.295 -5.164 1.00 31.52 H new ATOM 542 N ARG A 36 -15.271 -11.649 -10.429 1.00 74.45 N ATOM 543 CA ARG A 36 -14.846 -12.692 -11.387 1.00 44.51 C ATOM 544 C ARG A 36 -15.216 -12.316 -12.831 1.00 50.13 C ATOM 545 O ARG A 36 -14.541 -12.714 -13.778 1.00 52.03 O ATOM 546 CB ARG A 36 -15.496 -14.059 -11.048 1.00 12.42 C ATOM 547 CG ARG A 36 -15.227 -14.600 -9.630 1.00 2.30 C ATOM 548 CD ARG A 36 -13.741 -14.699 -9.280 1.00 52.42 C ATOM 549 NE ARG A 36 -12.992 -15.533 -10.235 1.00 11.34 N ATOM 550 CZ ARG A 36 -11.804 -16.101 -10.004 1.00 31.14 C ATOM 551 NH1 ARG A 36 -11.182 -15.958 -8.830 1.00 34.25 N ATOM 552 NH2 ARG A 36 -11.235 -16.817 -10.958 1.00 21.10 N ATOM 0 H ARG A 36 -16.038 -11.939 -9.822 1.00 74.45 H new ATOM 0 HA ARG A 36 -13.762 -12.771 -11.304 1.00 44.51 H new ATOM 0 HB2 ARG A 36 -16.574 -13.970 -11.183 1.00 12.42 H new ATOM 0 HB3 ARG A 36 -15.144 -14.796 -11.770 1.00 12.42 H new ATOM 0 HG2 ARG A 36 -15.720 -13.953 -8.904 1.00 2.30 H new ATOM 0 HG3 ARG A 36 -15.680 -15.587 -9.536 1.00 2.30 H new ATOM 0 HD2 ARG A 36 -13.308 -13.699 -9.259 1.00 52.42 H new ATOM 0 HD3 ARG A 36 -13.634 -15.114 -8.278 1.00 52.42 H new ATOM 0 HE ARG A 36 -13.415 -15.691 -11.150 1.00 11.34 H new ATOM 0 HH11 ARG A 36 -11.613 -15.407 -8.088 1.00 34.25 H new ATOM 0 HH12 ARG A 36 -10.276 -16.400 -8.676 1.00 34.25 H new ATOM 0 HH21 ARG A 36 -11.702 -16.931 -11.858 1.00 21.10 H new ATOM 0 HH22 ARG A 36 -10.329 -17.256 -10.795 1.00 21.10 H new ATOM 566 N SER A 37 -16.327 -11.579 -12.968 1.00 14.34 N ATOM 567 CA SER A 37 -16.841 -11.103 -14.259 1.00 74.43 C ATOM 568 C SER A 37 -16.003 -9.906 -14.757 1.00 14.31 C ATOM 569 O SER A 37 -15.828 -9.722 -15.966 1.00 13.02 O ATOM 570 CB SER A 37 -18.336 -10.711 -14.108 1.00 23.15 C ATOM 571 OG SER A 37 -18.905 -10.344 -15.353 1.00 61.10 O ATOM 0 H SER A 37 -16.901 -11.293 -12.175 1.00 14.34 H new ATOM 0 HA SER A 37 -16.762 -11.900 -14.999 1.00 74.43 H new ATOM 0 HB2 SER A 37 -18.892 -11.548 -13.685 1.00 23.15 H new ATOM 0 HB3 SER A 37 -18.427 -9.882 -13.407 1.00 23.15 H new ATOM 0 HG SER A 37 -19.847 -10.104 -15.224 1.00 61.10 H new ATOM 577 N HIS A 38 -15.486 -9.114 -13.796 1.00 10.35 N ATOM 578 CA HIS A 38 -14.676 -7.913 -14.075 1.00 32.12 C ATOM 579 C HIS A 38 -13.232 -8.298 -14.474 1.00 13.40 C ATOM 580 O HIS A 38 -12.600 -7.622 -15.298 1.00 72.12 O ATOM 581 CB HIS A 38 -14.689 -6.968 -12.842 1.00 14.52 C ATOM 582 CG HIS A 38 -14.005 -5.642 -13.058 1.00 74.24 C ATOM 583 ND1 HIS A 38 -13.098 -5.113 -12.175 1.00 13.43 N ATOM 584 CD2 HIS A 38 -14.108 -4.741 -14.070 1.00 31.41 C ATOM 585 CE1 HIS A 38 -12.671 -3.952 -12.626 1.00 34.34 C ATOM 586 NE2 HIS A 38 -13.266 -3.706 -13.776 1.00 21.15 N ATOM 0 H HIS A 38 -15.620 -9.291 -12.800 1.00 10.35 H new ATOM 0 HA HIS A 38 -15.115 -7.383 -14.920 1.00 32.12 H new ATOM 0 HB2 HIS A 38 -15.724 -6.785 -12.552 1.00 14.52 H new ATOM 0 HB3 HIS A 38 -14.209 -7.477 -12.006 1.00 14.52 H new ATOM 0 HD2 HIS A 38 -14.738 -4.827 -14.943 1.00 31.41 H new ATOM 0 HE1 HIS A 38 -11.954 -3.310 -12.136 1.00 34.34 H new ATOM 0 HE2 HIS A 38 -13.121 -2.877 -14.353 1.00 21.15 H new ATOM 595 N THR A 39 -12.712 -9.374 -13.864 1.00 2.21 N ATOM 596 CA THR A 39 -11.418 -9.963 -14.243 1.00 54.32 C ATOM 597 C THR A 39 -11.631 -10.948 -15.410 1.00 3.52 C ATOM 598 O THR A 39 -12.678 -11.604 -15.482 1.00 23.44 O ATOM 599 CB THR A 39 -10.744 -10.696 -13.031 1.00 34.53 C ATOM 600 OG1 THR A 39 -11.659 -11.646 -12.460 1.00 61.14 O ATOM 601 CG2 THR A 39 -10.285 -9.714 -11.932 1.00 42.52 C ATOM 0 H THR A 39 -13.175 -9.860 -13.096 1.00 2.21 H new ATOM 0 HA THR A 39 -10.749 -9.160 -14.554 1.00 54.32 H new ATOM 0 HB THR A 39 -9.861 -11.204 -13.418 1.00 34.53 H new ATOM 0 HG1 THR A 39 -12.315 -11.175 -11.904 1.00 61.14 H new ATOM 0 HG21 THR A 39 -9.825 -10.271 -11.116 1.00 42.52 H new ATOM 0 HG22 THR A 39 -9.560 -9.015 -12.348 1.00 42.52 H new ATOM 0 HG23 THR A 39 -11.146 -9.162 -11.555 1.00 42.52 H new ATOM 609 N GLY A 40 -10.652 -11.028 -16.335 1.00 64.13 N ATOM 610 CA GLY A 40 -10.731 -11.946 -17.475 1.00 64.45 C ATOM 611 C GLY A 40 -10.669 -13.414 -17.043 1.00 10.32 C ATOM 612 O GLY A 40 -9.595 -13.895 -16.658 1.00 25.23 O ATOM 0 H GLY A 40 -9.801 -10.466 -16.309 1.00 64.13 H new ATOM 0 HA2 GLY A 40 -11.659 -11.768 -18.018 1.00 64.45 H new ATOM 0 HA3 GLY A 40 -9.913 -11.737 -18.164 1.00 64.45 H new ATOM 616 N GLU A 41 -11.835 -14.106 -17.082 1.00 21.52 N ATOM 617 CA GLU A 41 -11.949 -15.530 -16.676 1.00 24.14 C ATOM 618 C GLU A 41 -11.074 -16.416 -17.574 1.00 22.10 C ATOM 619 O GLU A 41 -10.430 -17.359 -17.103 1.00 24.24 O ATOM 620 CB GLU A 41 -13.425 -16.007 -16.707 1.00 64.44 C ATOM 621 CG GLU A 41 -14.374 -15.159 -15.841 1.00 60.04 C ATOM 622 CD GLU A 41 -15.781 -15.756 -15.725 1.00 4.20 C ATOM 623 OE1 GLU A 41 -16.574 -15.639 -16.678 1.00 35.04 O ATOM 624 OE2 GLU A 41 -16.100 -16.369 -14.690 1.00 22.31 O ATOM 0 H GLU A 41 -12.716 -13.697 -17.393 1.00 21.52 H new ATOM 0 HA GLU A 41 -11.593 -15.617 -15.649 1.00 24.14 H new ATOM 0 HB2 GLU A 41 -13.779 -15.993 -17.738 1.00 64.44 H new ATOM 0 HB3 GLU A 41 -13.469 -17.042 -16.369 1.00 64.44 H new ATOM 0 HG2 GLU A 41 -13.948 -15.053 -14.843 1.00 60.04 H new ATOM 0 HG3 GLU A 41 -14.445 -14.157 -16.265 1.00 60.04 H new ATOM 631 N ARG A 42 -11.082 -16.103 -18.877 1.00 43.41 N ATOM 632 CA ARG A 42 -10.057 -16.566 -19.819 1.00 34.31 C ATOM 633 C ARG A 42 -9.032 -15.419 -19.941 1.00 53.14 C ATOM 634 O ARG A 42 -9.271 -14.448 -20.675 1.00 63.13 O ATOM 635 CB ARG A 42 -10.717 -16.907 -21.187 1.00 21.55 C ATOM 636 CG ARG A 42 -11.830 -17.978 -21.096 1.00 2.25 C ATOM 637 CD ARG A 42 -12.580 -18.197 -22.427 1.00 21.22 C ATOM 638 NE ARG A 42 -13.339 -16.999 -22.839 1.00 75.00 N ATOM 639 CZ ARG A 42 -14.289 -16.967 -23.789 1.00 22.32 C ATOM 640 NH1 ARG A 42 -14.635 -18.066 -24.462 1.00 62.15 N ATOM 641 NH2 ARG A 42 -14.895 -15.819 -24.068 1.00 12.13 N ATOM 0 H ARG A 42 -11.801 -15.521 -19.307 1.00 43.41 H new ATOM 0 HA ARG A 42 -9.561 -17.475 -19.477 1.00 34.31 H new ATOM 0 HB2 ARG A 42 -11.137 -15.996 -21.614 1.00 21.55 H new ATOM 0 HB3 ARG A 42 -9.946 -17.255 -21.874 1.00 21.55 H new ATOM 0 HG2 ARG A 42 -11.390 -18.922 -20.776 1.00 2.25 H new ATOM 0 HG3 ARG A 42 -12.546 -17.683 -20.328 1.00 2.25 H new ATOM 0 HD2 ARG A 42 -11.865 -18.459 -23.207 1.00 21.22 H new ATOM 0 HD3 ARG A 42 -13.262 -19.041 -22.324 1.00 21.22 H new ATOM 0 HE ARG A 42 -13.124 -16.123 -22.363 1.00 75.00 H new ATOM 0 HH11 ARG A 42 -14.176 -18.954 -24.259 1.00 62.15 H new ATOM 0 HH12 ARG A 42 -15.359 -18.018 -25.179 1.00 62.15 H new ATOM 0 HH21 ARG A 42 -14.638 -14.971 -23.563 1.00 12.13 H new ATOM 0 HH22 ARG A 42 -15.617 -15.785 -24.788 1.00 12.13 H new ATOM 655 N PRO A 43 -7.881 -15.491 -19.197 1.00 60.11 N ATOM 656 CA PRO A 43 -6.942 -14.367 -19.087 1.00 55.33 C ATOM 657 C PRO A 43 -5.878 -14.396 -20.201 1.00 51.12 C ATOM 658 O PRO A 43 -5.040 -15.304 -20.253 1.00 33.50 O ATOM 659 CB PRO A 43 -6.361 -14.580 -17.671 1.00 63.22 C ATOM 660 CG PRO A 43 -6.351 -16.077 -17.455 1.00 11.32 C ATOM 661 CD PRO A 43 -7.416 -16.663 -18.387 1.00 71.20 C ATOM 0 HA PRO A 43 -7.397 -13.385 -19.213 1.00 55.33 H new ATOM 0 HB2 PRO A 43 -5.355 -14.166 -17.594 1.00 63.22 H new ATOM 0 HB3 PRO A 43 -6.970 -14.080 -16.918 1.00 63.22 H new ATOM 0 HG2 PRO A 43 -5.369 -16.494 -17.679 1.00 11.32 H new ATOM 0 HG3 PRO A 43 -6.571 -16.320 -16.415 1.00 11.32 H new ATOM 0 HD2 PRO A 43 -7.002 -17.447 -19.022 1.00 71.20 H new ATOM 0 HD3 PRO A 43 -8.236 -17.109 -17.824 1.00 71.20 H new ATOM 669 N PHE A 44 -5.945 -13.401 -21.099 1.00 44.22 N ATOM 670 CA PHE A 44 -5.050 -13.290 -22.260 1.00 20.15 C ATOM 671 C PHE A 44 -3.637 -12.914 -21.792 1.00 2.01 C ATOM 672 O PHE A 44 -3.316 -11.747 -21.620 1.00 64.31 O ATOM 673 CB PHE A 44 -5.611 -12.254 -23.268 1.00 40.41 C ATOM 674 CG PHE A 44 -7.011 -12.592 -23.756 1.00 14.43 C ATOM 675 CD1 PHE A 44 -7.221 -13.679 -24.593 1.00 14.44 C ATOM 676 CD2 PHE A 44 -8.113 -11.851 -23.356 1.00 53.15 C ATOM 677 CE1 PHE A 44 -8.491 -14.005 -25.019 1.00 71.40 C ATOM 678 CE2 PHE A 44 -9.380 -12.173 -23.786 1.00 44.02 C ATOM 679 CZ PHE A 44 -9.572 -13.256 -24.609 1.00 62.55 C ATOM 0 H PHE A 44 -6.627 -12.645 -21.039 1.00 44.22 H new ATOM 0 HA PHE A 44 -4.992 -14.251 -22.770 1.00 20.15 H new ATOM 0 HB2 PHE A 44 -5.624 -11.270 -22.799 1.00 40.41 H new ATOM 0 HB3 PHE A 44 -4.940 -12.190 -24.125 1.00 40.41 H new ATOM 0 HD1 PHE A 44 -6.380 -14.276 -24.914 1.00 14.44 H new ATOM 0 HD2 PHE A 44 -7.975 -11.007 -22.696 1.00 53.15 H new ATOM 0 HE1 PHE A 44 -8.639 -14.850 -25.676 1.00 71.40 H new ATOM 0 HE2 PHE A 44 -10.224 -11.574 -23.476 1.00 44.02 H new ATOM 0 HZ PHE A 44 -10.568 -13.520 -24.934 1.00 62.55 H new ATOM 689 N HIS A 45 -2.816 -13.938 -21.539 1.00 72.13 N ATOM 690 CA HIS A 45 -1.458 -13.770 -21.005 1.00 41.15 C ATOM 691 C HIS A 45 -0.436 -13.887 -22.124 1.00 11.34 C ATOM 692 O HIS A 45 -0.405 -14.905 -22.830 1.00 5.10 O ATOM 693 CB HIS A 45 -1.162 -14.838 -19.925 1.00 53.24 C ATOM 694 CG HIS A 45 -1.955 -14.668 -18.653 1.00 14.35 C ATOM 695 ND1 HIS A 45 -2.083 -15.655 -17.699 1.00 2.31 N ATOM 696 CD2 HIS A 45 -2.616 -13.593 -18.158 1.00 32.42 C ATOM 697 CE1 HIS A 45 -2.783 -15.188 -16.685 1.00 62.53 C ATOM 698 NE2 HIS A 45 -3.116 -13.941 -16.937 1.00 32.14 N ATOM 0 H HIS A 45 -3.075 -14.912 -21.699 1.00 72.13 H new ATOM 0 HA HIS A 45 -1.390 -12.780 -20.554 1.00 41.15 H new ATOM 0 HB2 HIS A 45 -1.369 -15.825 -20.340 1.00 53.24 H new ATOM 0 HB3 HIS A 45 -0.099 -14.810 -19.684 1.00 53.24 H new ATOM 0 HD2 HIS A 45 -2.727 -12.634 -18.643 1.00 32.42 H new ATOM 0 HE1 HIS A 45 -3.041 -15.739 -15.793 1.00 62.53 H new ATOM 0 HE2 HIS A 45 -3.658 -13.334 -16.322 1.00 32.14 H new ATOM 707 N CYS A 46 0.378 -12.836 -22.296 1.00 51.13 N ATOM 708 CA CYS A 46 1.581 -12.903 -23.107 1.00 75.53 C ATOM 709 C CYS A 46 2.577 -13.869 -22.447 1.00 12.20 C ATOM 710 O CYS A 46 3.232 -13.524 -21.455 1.00 24.03 O ATOM 711 CB CYS A 46 2.217 -11.514 -23.276 1.00 30.21 C ATOM 712 SG CYS A 46 3.828 -11.544 -24.161 1.00 63.02 S ATOM 0 H CYS A 46 0.213 -11.922 -21.874 1.00 51.13 H new ATOM 0 HA CYS A 46 1.317 -13.266 -24.100 1.00 75.53 H new ATOM 0 HB2 CYS A 46 1.525 -10.871 -23.820 1.00 30.21 H new ATOM 0 HB3 CYS A 46 2.361 -11.067 -22.292 1.00 30.21 H new ATOM 717 N ASN A 47 2.626 -15.094 -22.984 1.00 3.34 N ATOM 718 CA ASN A 47 3.534 -16.161 -22.510 1.00 63.54 C ATOM 719 C ASN A 47 5.007 -15.708 -22.599 1.00 51.12 C ATOM 720 O ASN A 47 5.844 -16.093 -21.772 1.00 53.01 O ATOM 721 CB ASN A 47 3.312 -17.459 -23.338 1.00 71.52 C ATOM 722 CG ASN A 47 1.871 -17.989 -23.266 1.00 1.23 C ATOM 723 OD1 ASN A 47 1.523 -18.790 -22.392 1.00 62.13 O ATOM 724 ND2 ASN A 47 1.023 -17.547 -24.185 1.00 64.15 N ATOM 0 H ASN A 47 2.036 -15.381 -23.765 1.00 3.34 H new ATOM 0 HA ASN A 47 3.307 -16.368 -21.464 1.00 63.54 H new ATOM 0 HB2 ASN A 47 3.569 -17.265 -24.380 1.00 71.52 H new ATOM 0 HB3 ASN A 47 3.994 -18.231 -22.980 1.00 71.52 H new ATOM 0 HD21 ASN A 47 0.055 -17.868 -24.182 1.00 64.15 H new ATOM 0 HD22 ASN A 47 1.339 -16.886 -24.894 1.00 64.15 H new ATOM 731 N GLN A 48 5.296 -14.876 -23.619 1.00 5.41 N ATOM 732 CA GLN A 48 6.612 -14.252 -23.825 1.00 31.24 C ATOM 733 C GLN A 48 6.708 -12.872 -23.119 1.00 43.25 C ATOM 734 O GLN A 48 6.683 -11.816 -23.790 1.00 23.15 O ATOM 735 CB GLN A 48 6.901 -14.165 -25.355 1.00 11.02 C ATOM 736 CG GLN A 48 8.317 -13.691 -25.733 1.00 4.11 C ATOM 737 CD GLN A 48 9.426 -14.634 -25.289 1.00 3.34 C ATOM 738 OE1 GLN A 48 9.949 -14.526 -24.184 1.00 52.31 O ATOM 739 NE2 GLN A 48 9.805 -15.556 -26.151 1.00 40.23 N ATOM 0 H GLN A 48 4.612 -14.617 -24.330 1.00 5.41 H new ATOM 0 HA GLN A 48 7.382 -14.871 -23.365 1.00 31.24 H new ATOM 0 HB2 GLN A 48 6.735 -15.148 -25.795 1.00 11.02 H new ATOM 0 HB3 GLN A 48 6.177 -13.487 -25.807 1.00 11.02 H new ATOM 0 HG2 GLN A 48 8.371 -13.568 -26.815 1.00 4.11 H new ATOM 0 HG3 GLN A 48 8.490 -12.710 -25.291 1.00 4.11 H new ATOM 0 HE21 GLN A 48 9.350 -15.620 -27.062 1.00 40.23 H new ATOM 0 HE22 GLN A 48 10.553 -16.205 -25.907 1.00 40.23 H new ATOM 748 N CYS A 49 6.675 -12.936 -21.751 1.00 25.23 N ATOM 749 CA CYS A 49 7.065 -11.855 -20.767 1.00 71.13 C ATOM 750 C CYS A 49 6.350 -12.068 -19.422 1.00 21.43 C ATOM 751 O CYS A 49 6.969 -11.950 -18.353 1.00 73.32 O ATOM 752 CB CYS A 49 6.775 -10.408 -21.242 1.00 10.34 C ATOM 753 SG CYS A 49 5.084 -10.134 -21.868 1.00 72.33 S ATOM 0 H CYS A 49 6.361 -13.781 -21.274 1.00 25.23 H new ATOM 0 HA CYS A 49 8.146 -11.951 -20.669 1.00 71.13 H new ATOM 0 HB2 CYS A 49 6.955 -9.725 -20.412 1.00 10.34 H new ATOM 0 HB3 CYS A 49 7.485 -10.149 -22.028 1.00 10.34 H new ATOM 758 N GLY A 50 5.044 -12.369 -19.497 1.00 72.32 N ATOM 759 CA GLY A 50 4.193 -12.469 -18.315 1.00 43.13 C ATOM 760 C GLY A 50 3.231 -11.293 -18.170 1.00 52.20 C ATOM 761 O GLY A 50 2.737 -11.022 -17.070 1.00 20.33 O ATOM 0 H GLY A 50 4.557 -12.548 -20.375 1.00 72.32 H new ATOM 0 HA2 GLY A 50 3.621 -13.395 -18.364 1.00 43.13 H new ATOM 0 HA3 GLY A 50 4.821 -12.529 -17.426 1.00 43.13 H new ATOM 765 N ALA A 51 2.946 -10.592 -19.289 1.00 30.40 N ATOM 766 CA ALA A 51 1.962 -9.494 -19.321 1.00 11.42 C ATOM 767 C ALA A 51 0.533 -10.075 -19.378 1.00 10.30 C ATOM 768 O ALA A 51 0.303 -11.099 -20.026 1.00 62.41 O ATOM 769 CB ALA A 51 2.234 -8.576 -20.525 1.00 1.55 C ATOM 0 H ALA A 51 3.390 -10.772 -20.189 1.00 30.40 H new ATOM 0 HA ALA A 51 2.055 -8.898 -18.413 1.00 11.42 H new ATOM 0 HB1 ALA A 51 1.502 -7.769 -20.540 1.00 1.55 H new ATOM 0 HB2 ALA A 51 3.236 -8.156 -20.443 1.00 1.55 H new ATOM 0 HB3 ALA A 51 2.157 -9.152 -21.447 1.00 1.55 H new ATOM 775 N SER A 52 -0.415 -9.424 -18.691 1.00 40.51 N ATOM 776 CA SER A 52 -1.805 -9.912 -18.565 1.00 63.14 C ATOM 777 C SER A 52 -2.794 -8.945 -19.242 1.00 50.20 C ATOM 778 O SER A 52 -2.696 -7.729 -19.064 1.00 62.22 O ATOM 779 CB SER A 52 -2.141 -10.094 -17.067 1.00 41.01 C ATOM 780 OG SER A 52 -1.962 -8.895 -16.319 1.00 43.02 O ATOM 0 H SER A 52 -0.245 -8.544 -18.205 1.00 40.51 H new ATOM 0 HA SER A 52 -1.897 -10.872 -19.073 1.00 63.14 H new ATOM 0 HB2 SER A 52 -3.173 -10.430 -16.968 1.00 41.01 H new ATOM 0 HB3 SER A 52 -1.509 -10.877 -16.649 1.00 41.01 H new ATOM 0 HG SER A 52 -2.188 -9.059 -15.380 1.00 43.02 H new ATOM 786 N PHE A 53 -3.742 -9.498 -20.022 1.00 23.14 N ATOM 787 CA PHE A 53 -4.762 -8.730 -20.762 1.00 52.02 C ATOM 788 C PHE A 53 -6.134 -9.401 -20.567 1.00 1.43 C ATOM 789 O PHE A 53 -6.213 -10.589 -20.221 1.00 60.50 O ATOM 790 CB PHE A 53 -4.419 -8.663 -22.285 1.00 34.34 C ATOM 791 CG PHE A 53 -3.001 -8.178 -22.603 1.00 34.43 C ATOM 792 CD1 PHE A 53 -2.659 -6.830 -22.480 1.00 43.02 C ATOM 793 CD2 PHE A 53 -2.004 -9.074 -23.007 1.00 15.35 C ATOM 794 CE1 PHE A 53 -1.379 -6.398 -22.768 1.00 72.12 C ATOM 795 CE2 PHE A 53 -0.727 -8.637 -23.292 1.00 61.52 C ATOM 796 CZ PHE A 53 -0.415 -7.302 -23.162 1.00 14.34 C ATOM 0 H PHE A 53 -3.822 -10.506 -20.158 1.00 23.14 H new ATOM 0 HA PHE A 53 -4.784 -7.711 -20.375 1.00 52.02 H new ATOM 0 HB2 PHE A 53 -4.554 -9.654 -22.718 1.00 34.34 H new ATOM 0 HB3 PHE A 53 -5.133 -8.001 -22.775 1.00 34.34 H new ATOM 0 HD1 PHE A 53 -3.403 -6.117 -22.156 1.00 43.02 H new ATOM 0 HD2 PHE A 53 -2.238 -10.124 -23.097 1.00 15.35 H new ATOM 0 HE1 PHE A 53 -1.133 -5.350 -22.684 1.00 72.12 H new ATOM 0 HE2 PHE A 53 0.026 -9.340 -23.616 1.00 61.52 H new ATOM 0 HZ PHE A 53 0.589 -6.962 -23.369 1.00 14.34 H new ATOM 806 N THR A 54 -7.206 -8.635 -20.792 1.00 71.02 N ATOM 807 CA THR A 54 -8.593 -9.143 -20.754 1.00 35.23 C ATOM 808 C THR A 54 -9.298 -8.855 -22.101 1.00 74.41 C ATOM 809 O THR A 54 -10.500 -9.089 -22.251 1.00 12.31 O ATOM 810 CB THR A 54 -9.372 -8.524 -19.540 1.00 22.51 C ATOM 811 OG1 THR A 54 -10.670 -9.135 -19.398 1.00 3.03 O ATOM 812 CG2 THR A 54 -9.525 -6.996 -19.658 1.00 11.00 C ATOM 0 H THR A 54 -7.142 -7.640 -21.007 1.00 71.02 H new ATOM 0 HA THR A 54 -8.578 -10.223 -20.610 1.00 35.23 H new ATOM 0 HB THR A 54 -8.776 -8.730 -18.651 1.00 22.51 H new ATOM 0 HG1 THR A 54 -11.064 -9.276 -20.284 1.00 3.03 H new ATOM 0 HG21 THR A 54 -10.071 -6.617 -18.794 1.00 11.00 H new ATOM 0 HG22 THR A 54 -8.539 -6.533 -19.696 1.00 11.00 H new ATOM 0 HG23 THR A 54 -10.074 -6.755 -20.568 1.00 11.00 H new ATOM 820 N GLN A 55 -8.500 -8.403 -23.103 1.00 24.24 N ATOM 821 CA GLN A 55 -8.985 -8.044 -24.460 1.00 2.25 C ATOM 822 C GLN A 55 -8.136 -8.730 -25.557 1.00 30.41 C ATOM 823 O GLN A 55 -6.931 -8.942 -25.375 1.00 53.41 O ATOM 824 CB GLN A 55 -8.944 -6.501 -24.655 1.00 33.31 C ATOM 825 CG GLN A 55 -9.903 -5.698 -23.746 1.00 32.12 C ATOM 826 CD GLN A 55 -11.388 -5.880 -24.093 1.00 12.24 C ATOM 827 OE1 GLN A 55 -11.939 -5.147 -24.918 1.00 2.33 O ATOM 828 NE2 GLN A 55 -12.044 -6.837 -23.462 1.00 24.32 N ATOM 0 H GLN A 55 -7.494 -8.277 -22.990 1.00 24.24 H new ATOM 0 HA GLN A 55 -10.013 -8.394 -24.551 1.00 2.25 H new ATOM 0 HB2 GLN A 55 -7.926 -6.155 -24.477 1.00 33.31 H new ATOM 0 HB3 GLN A 55 -9.180 -6.276 -25.695 1.00 33.31 H new ATOM 0 HG2 GLN A 55 -9.743 -5.998 -22.710 1.00 32.12 H new ATOM 0 HG3 GLN A 55 -9.651 -4.640 -23.814 1.00 32.12 H new ATOM 0 HE21 GLN A 55 -11.560 -7.427 -22.785 1.00 24.32 H new ATOM 0 HE22 GLN A 55 -13.035 -6.987 -23.652 1.00 24.32 H new ATOM 837 N LYS A 56 -8.794 -9.054 -26.695 1.00 11.31 N ATOM 838 CA LYS A 56 -8.152 -9.647 -27.892 1.00 34.34 C ATOM 839 C LYS A 56 -7.157 -8.671 -28.525 1.00 62.40 C ATOM 840 O LYS A 56 -5.983 -9.001 -28.675 1.00 25.21 O ATOM 841 CB LYS A 56 -9.229 -10.061 -28.948 1.00 41.13 C ATOM 842 CG LYS A 56 -10.099 -11.281 -28.566 1.00 30.44 C ATOM 843 CD LYS A 56 -9.290 -12.597 -28.499 1.00 43.25 C ATOM 844 CE LYS A 56 -10.182 -13.827 -28.231 1.00 31.25 C ATOM 845 NZ LYS A 56 -11.191 -14.052 -29.309 1.00 41.41 N ATOM 0 H LYS A 56 -9.797 -8.909 -26.809 1.00 11.31 H new ATOM 0 HA LYS A 56 -7.610 -10.536 -27.569 1.00 34.34 H new ATOM 0 HB2 LYS A 56 -9.886 -9.209 -29.125 1.00 41.13 H new ATOM 0 HB3 LYS A 56 -8.725 -10.276 -29.890 1.00 41.13 H new ATOM 0 HG2 LYS A 56 -10.568 -11.099 -27.599 1.00 30.44 H new ATOM 0 HG3 LYS A 56 -10.903 -11.391 -29.294 1.00 30.44 H new ATOM 0 HD2 LYS A 56 -8.754 -12.738 -29.438 1.00 43.25 H new ATOM 0 HD3 LYS A 56 -8.539 -12.518 -27.713 1.00 43.25 H new ATOM 0 HE2 LYS A 56 -9.554 -14.713 -28.136 1.00 31.25 H new ATOM 0 HE3 LYS A 56 -10.696 -13.697 -27.279 1.00 31.25 H new ATOM 0 HZ1 LYS A 56 -11.635 -14.984 -29.180 1.00 41.41 H new ATOM 0 HZ2 LYS A 56 -11.920 -13.312 -29.262 1.00 41.41 H new ATOM 0 HZ3 LYS A 56 -10.722 -14.018 -30.236 1.00 41.41 H new ATOM 859 N GLY A 57 -7.653 -7.471 -28.873 1.00 45.15 N ATOM 860 CA GLY A 57 -6.870 -6.453 -29.585 1.00 13.34 C ATOM 861 C GLY A 57 -5.564 -6.070 -28.893 1.00 50.12 C ATOM 862 O GLY A 57 -4.594 -5.712 -29.559 1.00 2.41 O ATOM 0 H GLY A 57 -8.609 -7.182 -28.667 1.00 45.15 H new ATOM 0 HA2 GLY A 57 -6.644 -6.820 -30.586 1.00 13.34 H new ATOM 0 HA3 GLY A 57 -7.481 -5.558 -29.704 1.00 13.34 H new ATOM 866 N ASN A 58 -5.560 -6.153 -27.550 1.00 62.51 N ATOM 867 CA ASN A 58 -4.372 -5.880 -26.719 1.00 3.24 C ATOM 868 C ASN A 58 -3.348 -7.016 -26.832 1.00 11.35 C ATOM 869 O ASN A 58 -2.153 -6.763 -27.027 1.00 35.42 O ATOM 870 CB ASN A 58 -4.780 -5.666 -25.235 1.00 4.53 C ATOM 871 CG ASN A 58 -5.499 -4.341 -24.986 1.00 43.54 C ATOM 872 OD1 ASN A 58 -6.211 -3.827 -25.847 1.00 52.44 O ATOM 873 ND2 ASN A 58 -5.292 -3.766 -23.816 1.00 35.21 N ATOM 0 H ASN A 58 -6.384 -6.412 -27.008 1.00 62.51 H new ATOM 0 HA ASN A 58 -3.908 -4.966 -27.088 1.00 3.24 H new ATOM 0 HB2 ASN A 58 -5.427 -6.486 -24.922 1.00 4.53 H new ATOM 0 HB3 ASN A 58 -3.887 -5.709 -24.611 1.00 4.53 H new ATOM 0 HD21 ASN A 58 -5.728 -2.869 -23.604 1.00 35.21 H new ATOM 0 HD22 ASN A 58 -4.696 -4.219 -23.123 1.00 35.21 H new ATOM 880 N LEU A 59 -3.834 -8.270 -26.718 1.00 14.43 N ATOM 881 CA LEU A 59 -2.977 -9.468 -26.755 1.00 32.21 C ATOM 882 C LEU A 59 -2.305 -9.622 -28.132 1.00 73.51 C ATOM 883 O LEU A 59 -1.095 -9.761 -28.215 1.00 54.44 O ATOM 884 CB LEU A 59 -3.797 -10.740 -26.429 1.00 71.41 C ATOM 885 CG LEU A 59 -2.980 -12.079 -26.407 1.00 43.00 C ATOM 886 CD1 LEU A 59 -1.981 -12.113 -25.230 1.00 22.11 C ATOM 887 CD2 LEU A 59 -3.907 -13.304 -26.395 1.00 14.13 C ATOM 0 H LEU A 59 -4.826 -8.477 -26.599 1.00 14.43 H new ATOM 0 HA LEU A 59 -2.202 -9.343 -25.999 1.00 32.21 H new ATOM 0 HB2 LEU A 59 -4.271 -10.607 -25.456 1.00 71.41 H new ATOM 0 HB3 LEU A 59 -4.597 -10.834 -27.163 1.00 71.41 H new ATOM 0 HG LEU A 59 -2.399 -12.121 -27.328 1.00 43.00 H new ATOM 0 HD11 LEU A 59 -1.432 -13.055 -25.246 1.00 22.11 H new ATOM 0 HD12 LEU A 59 -1.280 -11.283 -25.323 1.00 22.11 H new ATOM 0 HD13 LEU A 59 -2.524 -12.025 -24.289 1.00 22.11 H new ATOM 0 HD21 LEU A 59 -3.307 -14.214 -26.380 1.00 14.13 H new ATOM 0 HD22 LEU A 59 -4.541 -13.272 -25.509 1.00 14.13 H new ATOM 0 HD23 LEU A 59 -4.532 -13.296 -27.288 1.00 14.13 H new ATOM 899 N LEU A 60 -3.126 -9.559 -29.198 1.00 42.43 N ATOM 900 CA LEU A 60 -2.694 -9.770 -30.596 1.00 35.44 C ATOM 901 C LEU A 60 -1.649 -8.717 -31.033 1.00 3.40 C ATOM 902 O LEU A 60 -0.687 -9.027 -31.748 1.00 45.30 O ATOM 903 CB LEU A 60 -3.945 -9.743 -31.519 1.00 63.31 C ATOM 904 CG LEU A 60 -5.047 -10.806 -31.201 1.00 73.43 C ATOM 905 CD1 LEU A 60 -6.304 -10.591 -32.062 1.00 31.45 C ATOM 906 CD2 LEU A 60 -4.505 -12.246 -31.354 1.00 21.21 C ATOM 0 H LEU A 60 -4.122 -9.357 -29.113 1.00 42.43 H new ATOM 0 HA LEU A 60 -2.207 -10.742 -30.676 1.00 35.44 H new ATOM 0 HB2 LEU A 60 -4.395 -8.752 -31.461 1.00 63.31 H new ATOM 0 HB3 LEU A 60 -3.617 -9.884 -32.549 1.00 63.31 H new ATOM 0 HG LEU A 60 -5.335 -10.671 -30.159 1.00 73.43 H new ATOM 0 HD11 LEU A 60 -7.048 -11.348 -31.814 1.00 31.45 H new ATOM 0 HD12 LEU A 60 -6.714 -9.600 -31.866 1.00 31.45 H new ATOM 0 HD13 LEU A 60 -6.041 -10.673 -33.117 1.00 31.45 H new ATOM 0 HD21 LEU A 60 -5.297 -12.959 -31.125 1.00 21.21 H new ATOM 0 HD22 LEU A 60 -4.163 -12.399 -32.378 1.00 21.21 H new ATOM 0 HD23 LEU A 60 -3.672 -12.396 -30.667 1.00 21.21 H new ATOM 918 N ARG A 61 -1.849 -7.481 -30.554 1.00 21.23 N ATOM 919 CA ARG A 61 -0.959 -6.333 -30.818 1.00 35.42 C ATOM 920 C ARG A 61 0.381 -6.468 -30.057 1.00 54.33 C ATOM 921 O ARG A 61 1.422 -5.969 -30.500 1.00 15.45 O ATOM 922 CB ARG A 61 -1.696 -5.042 -30.398 1.00 21.23 C ATOM 923 CG ARG A 61 -0.965 -3.714 -30.671 1.00 61.14 C ATOM 924 CD ARG A 61 -1.765 -2.517 -30.140 1.00 13.05 C ATOM 925 NE ARG A 61 -1.145 -1.217 -30.448 1.00 64.22 N ATOM 926 CZ ARG A 61 -1.671 -0.024 -30.116 1.00 22.24 C ATOM 927 NH1 ARG A 61 -2.835 0.058 -29.463 1.00 74.22 N ATOM 928 NH2 ARG A 61 -1.039 1.087 -30.445 1.00 3.45 N ATOM 0 H ARG A 61 -2.645 -7.243 -29.963 1.00 21.23 H new ATOM 0 HA ARG A 61 -0.718 -6.300 -31.881 1.00 35.42 H new ATOM 0 HB2 ARG A 61 -2.657 -5.015 -30.912 1.00 21.23 H new ATOM 0 HB3 ARG A 61 -1.908 -5.102 -29.330 1.00 21.23 H new ATOM 0 HG2 ARG A 61 0.018 -3.734 -30.201 1.00 61.14 H new ATOM 0 HG3 ARG A 61 -0.803 -3.599 -31.743 1.00 61.14 H new ATOM 0 HD2 ARG A 61 -2.768 -2.543 -30.565 1.00 13.05 H new ATOM 0 HD3 ARG A 61 -1.874 -2.613 -29.060 1.00 13.05 H new ATOM 0 HE ARG A 61 -0.256 -1.221 -30.947 1.00 64.22 H new ATOM 0 HH11 ARG A 61 -3.338 -0.792 -29.209 1.00 74.22 H new ATOM 0 HH12 ARG A 61 -3.220 0.971 -29.219 1.00 74.22 H new ATOM 0 HH21 ARG A 61 -0.154 1.040 -30.950 1.00 3.45 H new ATOM 0 HH22 ARG A 61 -1.436 1.993 -30.194 1.00 3.45 H new ATOM 942 N HIS A 62 0.334 -7.127 -28.898 1.00 71.41 N ATOM 943 CA HIS A 62 1.529 -7.388 -28.081 1.00 43.14 C ATOM 944 C HIS A 62 2.367 -8.548 -28.679 1.00 31.23 C ATOM 945 O HIS A 62 3.582 -8.433 -28.834 1.00 11.12 O ATOM 946 CB HIS A 62 1.098 -7.703 -26.627 1.00 54.03 C ATOM 947 CG HIS A 62 2.238 -7.858 -25.650 1.00 14.12 C ATOM 948 ND1 HIS A 62 2.615 -6.897 -24.735 1.00 2.31 N ATOM 949 CD2 HIS A 62 3.063 -8.906 -25.450 1.00 73.41 C ATOM 950 CE1 HIS A 62 3.631 -7.386 -24.026 1.00 1.03 C ATOM 951 NE2 HIS A 62 3.943 -8.612 -24.422 1.00 3.24 N ATOM 0 H HIS A 62 -0.528 -7.495 -28.497 1.00 71.41 H new ATOM 0 HA HIS A 62 2.161 -6.500 -28.078 1.00 43.14 H new ATOM 0 HB2 HIS A 62 0.443 -6.906 -26.276 1.00 54.03 H new ATOM 0 HB3 HIS A 62 0.511 -8.621 -26.628 1.00 54.03 H new ATOM 0 HD1 HIS A 62 2.191 -5.976 -24.622 1.00 2.31 H new ATOM 0 HD2 HIS A 62 3.041 -9.832 -26.006 1.00 73.41 H new ATOM 0 HE1 HIS A 62 4.135 -6.854 -23.233 1.00 1.03 H new ATOM 959 N ILE A 63 1.696 -9.666 -29.003 1.00 42.02 N ATOM 960 CA ILE A 63 2.364 -10.930 -29.383 1.00 64.32 C ATOM 961 C ILE A 63 3.026 -10.854 -30.774 1.00 43.54 C ATOM 962 O ILE A 63 3.987 -11.590 -31.042 1.00 54.13 O ATOM 963 CB ILE A 63 1.395 -12.173 -29.295 1.00 42.02 C ATOM 964 CG1 ILE A 63 0.226 -12.067 -30.323 1.00 74.12 C ATOM 965 CG2 ILE A 63 0.862 -12.340 -27.853 1.00 2.02 C ATOM 966 CD1 ILE A 63 -0.773 -13.218 -30.283 1.00 13.31 C ATOM 0 H ILE A 63 0.678 -9.723 -29.010 1.00 42.02 H new ATOM 0 HA ILE A 63 3.157 -11.075 -28.649 1.00 64.32 H new ATOM 0 HB ILE A 63 1.967 -13.064 -29.555 1.00 42.02 H new ATOM 0 HG12 ILE A 63 -0.310 -11.134 -30.146 1.00 74.12 H new ATOM 0 HG13 ILE A 63 0.648 -12.007 -31.326 1.00 74.12 H new ATOM 0 HG21 ILE A 63 0.195 -13.201 -27.809 1.00 2.02 H new ATOM 0 HG22 ILE A 63 1.699 -12.493 -27.171 1.00 2.02 H new ATOM 0 HG23 ILE A 63 0.316 -11.443 -27.561 1.00 2.02 H new ATOM 0 HD11 ILE A 63 -1.547 -13.054 -31.033 1.00 13.31 H new ATOM 0 HD12 ILE A 63 -0.257 -14.155 -30.493 1.00 13.31 H new ATOM 0 HD13 ILE A 63 -1.230 -13.269 -29.295 1.00 13.31 H new ATOM 978 N LYS A 64 2.500 -9.970 -31.658 1.00 74.44 N ATOM 979 CA LYS A 64 3.063 -9.745 -33.007 1.00 61.41 C ATOM 980 C LYS A 64 4.531 -9.254 -32.934 1.00 30.34 C ATOM 981 O LYS A 64 5.326 -9.520 -33.843 1.00 25.12 O ATOM 982 CB LYS A 64 2.205 -8.728 -33.802 1.00 64.34 C ATOM 983 CG LYS A 64 2.279 -7.276 -33.280 1.00 11.22 C ATOM 984 CD LYS A 64 1.421 -6.297 -34.110 1.00 13.15 C ATOM 985 CE LYS A 64 1.482 -4.852 -33.582 1.00 65.01 C ATOM 986 NZ LYS A 64 0.556 -3.956 -34.322 1.00 1.44 N ATOM 0 H LYS A 64 1.680 -9.398 -31.455 1.00 74.44 H new ATOM 0 HA LYS A 64 3.048 -10.703 -33.528 1.00 61.41 H new ATOM 0 HB2 LYS A 64 2.522 -8.742 -34.845 1.00 64.34 H new ATOM 0 HB3 LYS A 64 1.165 -9.055 -33.781 1.00 64.34 H new ATOM 0 HG2 LYS A 64 1.949 -7.251 -32.242 1.00 11.22 H new ATOM 0 HG3 LYS A 64 3.317 -6.943 -33.292 1.00 11.22 H new ATOM 0 HD2 LYS A 64 1.759 -6.314 -35.146 1.00 13.15 H new ATOM 0 HD3 LYS A 64 0.385 -6.636 -34.106 1.00 13.15 H new ATOM 0 HE2 LYS A 64 1.229 -4.841 -32.522 1.00 65.01 H new ATOM 0 HE3 LYS A 64 2.501 -4.475 -33.670 1.00 65.01 H new ATOM 0 HZ1 LYS A 64 0.625 -2.992 -33.938 1.00 1.44 H new ATOM 0 HZ2 LYS A 64 0.813 -3.947 -35.330 1.00 1.44 H new ATOM 0 HZ3 LYS A 64 -0.419 -4.301 -34.217 1.00 1.44 H new ATOM 1000 N LEU A 65 4.871 -8.544 -31.833 1.00 44.14 N ATOM 1001 CA LEU A 65 6.234 -8.022 -31.589 1.00 64.54 C ATOM 1002 C LEU A 65 7.244 -9.180 -31.448 1.00 72.53 C ATOM 1003 O LEU A 65 8.416 -9.061 -31.824 1.00 41.42 O ATOM 1004 CB LEU A 65 6.237 -7.110 -30.327 1.00 52.22 C ATOM 1005 CG LEU A 65 5.189 -5.943 -30.333 1.00 34.33 C ATOM 1006 CD1 LEU A 65 5.276 -5.094 -29.053 1.00 41.43 C ATOM 1007 CD2 LEU A 65 5.319 -5.066 -31.595 1.00 23.44 C ATOM 0 H LEU A 65 4.209 -8.318 -31.091 1.00 44.14 H new ATOM 0 HA LEU A 65 6.541 -7.421 -32.445 1.00 64.54 H new ATOM 0 HB2 LEU A 65 6.056 -7.732 -29.450 1.00 52.22 H new ATOM 0 HB3 LEU A 65 7.232 -6.680 -30.213 1.00 52.22 H new ATOM 0 HG LEU A 65 4.201 -6.403 -30.354 1.00 34.33 H new ATOM 0 HD11 LEU A 65 4.535 -4.296 -29.095 1.00 41.43 H new ATOM 0 HD12 LEU A 65 5.083 -5.724 -28.185 1.00 41.43 H new ATOM 0 HD13 LEU A 65 6.272 -4.660 -28.972 1.00 41.43 H new ATOM 0 HD21 LEU A 65 4.576 -4.269 -31.562 1.00 23.44 H new ATOM 0 HD22 LEU A 65 6.317 -4.630 -31.634 1.00 23.44 H new ATOM 0 HD23 LEU A 65 5.155 -5.678 -32.482 1.00 23.44 H new ATOM 1019 N HIS A 66 6.741 -10.308 -30.918 1.00 74.11 N ATOM 1020 CA HIS A 66 7.502 -11.558 -30.741 1.00 34.41 C ATOM 1021 C HIS A 66 7.437 -12.433 -32.014 1.00 61.24 C ATOM 1022 O HIS A 66 8.282 -13.315 -32.220 1.00 21.14 O ATOM 1023 CB HIS A 66 6.929 -12.332 -29.529 1.00 54.41 C ATOM 1024 CG HIS A 66 6.782 -11.494 -28.288 1.00 54.02 C ATOM 1025 ND1 HIS A 66 7.817 -10.787 -27.728 1.00 53.45 N ATOM 1026 CD2 HIS A 66 5.691 -11.235 -27.517 1.00 22.11 C ATOM 1027 CE1 HIS A 66 7.345 -10.137 -26.668 1.00 10.40 C ATOM 1028 NE2 HIS A 66 6.054 -10.374 -26.487 1.00 63.25 N ATOM 0 H HIS A 66 5.776 -10.378 -30.594 1.00 74.11 H new ATOM 0 HA HIS A 66 8.548 -11.312 -30.560 1.00 34.41 H new ATOM 0 HB2 HIS A 66 5.955 -12.740 -29.798 1.00 54.41 H new ATOM 0 HB3 HIS A 66 7.580 -13.178 -29.310 1.00 54.41 H new ATOM 0 HD2 HIS A 66 4.701 -11.635 -27.679 1.00 22.11 H new ATOM 0 HE1 HIS A 66 7.940 -9.496 -26.034 1.00 10.40 H new ATOM 0 HE2 HIS A 66 5.454 -10.004 -25.750 1.00 63.25 H new ATOM 1036 N SER A 67 6.412 -12.185 -32.853 1.00 24.12 N ATOM 1037 CA SER A 67 6.204 -12.908 -34.117 1.00 41.50 C ATOM 1038 C SER A 67 7.124 -12.329 -35.207 1.00 34.42 C ATOM 1039 O SER A 67 6.864 -11.231 -35.733 1.00 12.31 O ATOM 1040 CB SER A 67 4.722 -12.802 -34.541 1.00 25.11 C ATOM 1041 OG SER A 67 3.865 -13.222 -33.500 1.00 74.53 O ATOM 0 H SER A 67 5.704 -11.474 -32.670 1.00 24.12 H new ATOM 0 HA SER A 67 6.451 -13.960 -33.979 1.00 41.50 H new ATOM 0 HB2 SER A 67 4.491 -11.772 -34.813 1.00 25.11 H new ATOM 0 HB3 SER A 67 4.549 -13.413 -35.427 1.00 25.11 H new ATOM 0 HG SER A 67 3.913 -12.583 -32.759 1.00 74.53 H new ATOM 1047 N GLY A 68 8.213 -13.058 -35.510 1.00 63.31 N ATOM 1048 CA GLY A 68 9.196 -12.623 -36.499 1.00 11.31 C ATOM 1049 C GLY A 68 9.986 -11.397 -36.035 1.00 35.53 C ATOM 1050 O GLY A 68 10.684 -11.455 -35.015 1.00 41.05 O ATOM 0 H GLY A 68 8.429 -13.956 -35.077 1.00 63.31 H new ATOM 0 HA2 GLY A 68 9.887 -13.441 -36.705 1.00 11.31 H new ATOM 0 HA3 GLY A 68 8.688 -12.392 -37.435 1.00 11.31 H new ATOM 1054 N GLU A 69 9.846 -10.281 -36.769 1.00 52.41 N ATOM 1055 CA GLU A 69 10.595 -9.041 -36.510 1.00 13.34 C ATOM 1056 C GLU A 69 9.656 -7.826 -36.638 1.00 40.14 C ATOM 1057 O GLU A 69 9.430 -7.311 -37.740 1.00 24.01 O ATOM 1058 CB GLU A 69 11.783 -8.939 -37.505 1.00 4.22 C ATOM 1059 CG GLU A 69 12.675 -7.685 -37.341 1.00 74.25 C ATOM 1060 CD GLU A 69 13.755 -7.580 -38.431 1.00 51.41 C ATOM 1061 OE1 GLU A 69 14.841 -8.172 -38.273 1.00 5.51 O ATOM 1062 OE2 GLU A 69 13.509 -6.935 -39.471 1.00 45.24 O ATOM 0 H GLU A 69 9.208 -10.214 -37.562 1.00 52.41 H new ATOM 0 HA GLU A 69 10.993 -9.054 -35.496 1.00 13.34 H new ATOM 0 HB2 GLU A 69 12.407 -9.826 -37.393 1.00 4.22 H new ATOM 0 HB3 GLU A 69 11.388 -8.953 -38.521 1.00 4.22 H new ATOM 0 HG2 GLU A 69 12.049 -6.793 -37.368 1.00 74.25 H new ATOM 0 HG3 GLU A 69 13.153 -7.710 -36.362 1.00 74.25 H new ATOM 1069 N LYS A 70 9.043 -7.435 -35.515 1.00 54.22 N ATOM 1070 CA LYS A 70 8.296 -6.157 -35.387 1.00 33.12 C ATOM 1071 C LYS A 70 9.128 -5.193 -34.502 1.00 3.14 C ATOM 1072 O LYS A 70 9.966 -5.664 -33.715 1.00 12.15 O ATOM 1073 CB LYS A 70 6.858 -6.400 -34.788 1.00 21.54 C ATOM 1074 CG LYS A 70 5.658 -6.215 -35.778 1.00 11.32 C ATOM 1075 CD LYS A 70 5.115 -7.532 -36.397 1.00 72.24 C ATOM 1076 CE LYS A 70 6.107 -8.267 -37.315 1.00 2.32 C ATOM 1077 NZ LYS A 70 5.593 -9.599 -37.741 1.00 61.40 N ATOM 0 H LYS A 70 9.045 -7.991 -34.660 1.00 54.22 H new ATOM 0 HA LYS A 70 8.151 -5.710 -36.371 1.00 33.12 H new ATOM 0 HB2 LYS A 70 6.820 -7.413 -34.388 1.00 21.54 H new ATOM 0 HB3 LYS A 70 6.717 -5.720 -33.948 1.00 21.54 H new ATOM 0 HG2 LYS A 70 4.845 -5.715 -35.252 1.00 11.32 H new ATOM 0 HG3 LYS A 70 5.970 -5.552 -36.585 1.00 11.32 H new ATOM 0 HD2 LYS A 70 4.822 -8.203 -35.590 1.00 72.24 H new ATOM 0 HD3 LYS A 70 4.213 -7.305 -36.966 1.00 72.24 H new ATOM 0 HE2 LYS A 70 6.306 -7.657 -38.196 1.00 2.32 H new ATOM 0 HE3 LYS A 70 7.056 -8.394 -36.795 1.00 2.32 H new ATOM 0 HZ1 LYS A 70 5.889 -9.789 -38.720 1.00 61.40 H new ATOM 0 HZ2 LYS A 70 5.976 -10.336 -37.115 1.00 61.40 H new ATOM 0 HZ3 LYS A 70 4.554 -9.604 -37.686 1.00 61.40 H new ATOM 1091 N PRO A 71 8.927 -3.833 -34.606 1.00 1.35 N ATOM 1092 CA PRO A 71 9.689 -2.852 -33.790 1.00 72.43 C ATOM 1093 C PRO A 71 9.344 -2.927 -32.287 1.00 25.41 C ATOM 1094 O PRO A 71 8.369 -3.585 -31.900 1.00 3.24 O ATOM 1095 CB PRO A 71 9.298 -1.482 -34.405 1.00 1.24 C ATOM 1096 CG PRO A 71 7.950 -1.715 -35.018 1.00 75.42 C ATOM 1097 CD PRO A 71 7.974 -3.145 -35.527 1.00 31.54 C ATOM 0 HA PRO A 71 10.762 -3.041 -33.821 1.00 72.43 H new ATOM 0 HB2 PRO A 71 9.258 -0.703 -33.644 1.00 1.24 H new ATOM 0 HB3 PRO A 71 10.024 -1.161 -35.152 1.00 1.24 H new ATOM 0 HG2 PRO A 71 7.156 -1.573 -34.285 1.00 75.42 H new ATOM 0 HG3 PRO A 71 7.762 -1.013 -35.830 1.00 75.42 H new ATOM 0 HD2 PRO A 71 6.984 -3.599 -35.491 1.00 31.54 H new ATOM 0 HD3 PRO A 71 8.311 -3.196 -36.562 1.00 31.54 H new ATOM 1105 N PHE A 72 10.132 -2.193 -31.476 1.00 12.40 N ATOM 1106 CA PHE A 72 10.116 -2.279 -30.003 1.00 74.20 C ATOM 1107 C PHE A 72 10.579 -3.691 -29.567 1.00 32.50 C ATOM 1108 O PHE A 72 9.762 -4.586 -29.313 1.00 13.32 O ATOM 1109 CB PHE A 72 8.729 -1.870 -29.405 1.00 3.21 C ATOM 1110 CG PHE A 72 8.659 -1.872 -27.877 1.00 3.23 C ATOM 1111 CD1 PHE A 72 9.454 -1.005 -27.128 1.00 64.55 C ATOM 1112 CD2 PHE A 72 7.817 -2.751 -27.191 1.00 41.14 C ATOM 1113 CE1 PHE A 72 9.393 -1.002 -25.744 1.00 61.23 C ATOM 1114 CE2 PHE A 72 7.760 -2.746 -25.813 1.00 42.15 C ATOM 1115 CZ PHE A 72 8.555 -1.881 -25.088 1.00 72.42 C ATOM 0 H PHE A 72 10.806 -1.515 -31.831 1.00 12.40 H new ATOM 0 HA PHE A 72 10.821 -1.555 -29.594 1.00 74.20 H new ATOM 0 HB2 PHE A 72 8.475 -0.873 -29.764 1.00 3.21 H new ATOM 0 HB3 PHE A 72 7.969 -2.550 -29.790 1.00 3.21 H new ATOM 0 HD1 PHE A 72 10.126 -0.327 -27.633 1.00 64.55 H new ATOM 0 HD2 PHE A 72 7.203 -3.444 -27.747 1.00 41.14 H new ATOM 0 HE1 PHE A 72 10.001 -0.312 -25.178 1.00 61.23 H new ATOM 0 HE2 PHE A 72 7.091 -3.421 -25.299 1.00 42.15 H new ATOM 0 HZ PHE A 72 8.521 -1.892 -24.009 1.00 72.42 H new ATOM 1125 N LYS A 73 11.913 -3.882 -29.581 1.00 64.14 N ATOM 1126 CA LYS A 73 12.566 -5.160 -29.230 1.00 42.44 C ATOM 1127 C LYS A 73 12.602 -5.360 -27.683 1.00 2.44 C ATOM 1128 O LYS A 73 13.551 -4.925 -27.010 1.00 55.04 O ATOM 1129 CB LYS A 73 13.977 -5.241 -29.922 1.00 13.05 C ATOM 1130 CG LYS A 73 14.952 -4.043 -29.660 1.00 55.44 C ATOM 1131 CD LYS A 73 15.764 -3.615 -30.906 1.00 12.25 C ATOM 1132 CE LYS A 73 14.866 -3.015 -32.006 1.00 22.05 C ATOM 1133 NZ LYS A 73 15.649 -2.565 -33.190 1.00 23.43 N ATOM 1134 OXT LYS A 73 11.632 -5.918 -27.136 1.00 37.29 O ATOM 0 H LYS A 73 12.573 -3.148 -29.838 1.00 64.14 H new ATOM 0 HA LYS A 73 11.983 -5.997 -29.614 1.00 42.44 H new ATOM 0 HB2 LYS A 73 14.466 -6.158 -29.593 1.00 13.05 H new ATOM 0 HB3 LYS A 73 13.825 -5.329 -30.998 1.00 13.05 H new ATOM 0 HG2 LYS A 73 14.376 -3.189 -29.302 1.00 55.44 H new ATOM 0 HG3 LYS A 73 15.644 -4.317 -28.864 1.00 55.44 H new ATOM 0 HD2 LYS A 73 16.517 -2.883 -30.614 1.00 12.25 H new ATOM 0 HD3 LYS A 73 16.297 -4.478 -31.305 1.00 12.25 H new ATOM 0 HE2 LYS A 73 14.133 -3.758 -32.319 1.00 22.05 H new ATOM 0 HE3 LYS A 73 14.310 -2.171 -31.598 1.00 22.05 H new ATOM 0 HZ1 LYS A 73 15.004 -2.169 -33.903 1.00 23.43 H new ATOM 0 HZ2 LYS A 73 16.332 -1.837 -32.898 1.00 23.43 H new ATOM 0 HZ3 LYS A 73 16.159 -3.375 -33.597 1.00 23.43 H new TER 1148 LYS A 73 HETATM 1149 ZN ZN A 101 5.254 -10.064 -23.917 1.00 73.33 ZN