USER MOD reduce.3.24.130724 H: found=0, std=0, add=1288, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1286 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: B 58 SER OG : rot -27:sc= -0.125 USER MOD Set 1.2: B 67 LYS NZ :NH3+ 179:sc= -1.38 (180deg=-0.939) USER MOD Set 2.1: B 26 THR OG1 : rot 180:sc= -0.619 USER MOD Set 2.2: B 29 GLN : amide:sc= -0.15 X(o=-0.77,f=-0.9) USER MOD Set 3.1: A 57 THR OG1 : rot -160:sc= -0.758 USER MOD Set 3.2: B 3 MET CE :methyl 175:sc= -0.0722 (180deg=-0.133) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -141:sc= 0.412 (180deg=-0.0676) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 MET CE :methyl -163:sc= -0.0948 (180deg=-0.787) USER MOD Single : A 5 LYS NZ :NH3+ 138:sc= 1.12 (180deg=0.0452) USER MOD Single : A 7 LYS NZ :NH3+ 158:sc= 0.56 (180deg=0.304) USER MOD Single : A 14 GLN : amide:sc= -0.309 K(o=-0.31,f=-3.7!) USER MOD Single : A 20 ASN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 22 THR OG1 : rot 150:sc= 0.197 USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.673 USER MOD Single : A 27 GLN : amide:sc= -0.136 K(o=-0.14,f=-2.8!) USER MOD Single : A 28 LYS NZ :NH3+ 171:sc= -0.0026 (180deg=-0.0971) USER MOD Single : A 29 GLN : amide:sc= -0.398 K(o=-0.4,f=-4.2!) USER MOD Single : A 31 LYS NZ :NH3+ 157:sc= 0.9 (180deg=0.545) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot -74:sc= 0.617 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0468) USER MOD Single : A 40 LYS NZ :NH3+ -172:sc= 0.531 (180deg=0.522) USER MOD Single : A 54 LYS NZ :NH3+ -155:sc= 0.701 (180deg=0.363) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 167:sc= -0.291 (180deg=-0.6) USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 73 HIS : no HD1:sc= -0.691 X(o=-0.69,f=-0.91) USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 76 HIS : no HE2:sc= 0.232 K(o=0.23,f=-1.1) USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=-0.11) USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ 173:sc= -0.208 (180deg=-0.317) USER MOD Single : B 2 LYS NZ :NH3+ -122:sc= -0.0305 (180deg=-0.978) USER MOD Single : B 5 LYS NZ :NH3+ -135:sc= 0.532 (180deg=0.206) USER MOD Single : B 7 LYS NZ :NH3+ -154:sc= -0.62 (180deg=-2.77!) USER MOD Single : B 14 GLN : amide:sc= -0.481 X(o=-0.48,f=-0.13) USER MOD Single : B 20 ASN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : B 22 THR OG1 : rot 133:sc= 0.296 USER MOD Single : B 27 GLN : amide:sc= 0.351 K(o=0.35,f=-4.6!) USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 31 LYS NZ :NH3+ -117:sc= 1.19 (180deg=-0.155) USER MOD Single : B 32 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00217) USER MOD Single : B 34 THR OG1 : rot -72:sc= 0.657 USER MOD Single : B 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 37 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0579) USER MOD Single : B 40 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0144) USER MOD Single : B 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 57 THR OG1 : rot 130:sc= -0.819 USER MOD Single : B 72 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 73 HIS : no HD1:sc= -0.106 X(o=-0.11,f=-0.11) USER MOD Single : B 74 HIS : no HD1:sc= -0.111 X(o=-0.11,f=-0.39) USER MOD Single : B 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 76 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 77 HIS : no HE2:sc= 0.425 K(o=0.43,f=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.276 11.907 1.832 1.00 41.13 N ATOM 2 CA MET A 1 13.769 13.297 1.664 1.00 32.41 C ATOM 3 C MET A 1 12.288 13.377 2.065 1.00 30.43 C ATOM 4 O MET A 1 11.516 12.474 1.740 1.00 71.32 O ATOM 5 CB MET A 1 13.987 13.785 0.209 1.00 33.15 C ATOM 6 CG MET A 1 15.465 13.910 -0.186 1.00 11.04 C ATOM 7 SD MET A 1 15.700 14.475 -1.885 1.00 4.33 S ATOM 8 CE MET A 1 17.492 14.565 -1.991 1.00 31.21 C ATOM 0 H1 MET A 1 15.245 11.934 2.208 1.00 41.13 H new ATOM 0 H2 MET A 1 13.662 11.391 2.494 1.00 41.13 H new ATOM 0 H3 MET A 1 14.275 11.423 0.911 1.00 41.13 H new ATOM 0 HA MET A 1 14.332 13.958 2.323 1.00 32.41 H new ATOM 0 HB2 MET A 1 13.495 13.093 -0.474 1.00 33.15 H new ATOM 0 HB3 MET A 1 13.504 14.754 0.084 1.00 33.15 H new ATOM 0 HG2 MET A 1 15.959 14.605 0.493 1.00 11.04 H new ATOM 0 HG3 MET A 1 15.951 12.943 -0.061 1.00 11.04 H new ATOM 0 HE1 MET A 1 17.781 14.901 -2.987 1.00 31.21 H new ATOM 0 HE2 MET A 1 17.866 15.269 -1.248 1.00 31.21 H new ATOM 0 HE3 MET A 1 17.918 13.579 -1.803 1.00 31.21 H new ATOM 20 N LYS A 2 11.919 14.487 2.739 1.00 63.34 N ATOM 21 CA LYS A 2 10.638 14.639 3.468 1.00 32.55 C ATOM 22 C LYS A 2 9.380 14.347 2.595 1.00 43.12 C ATOM 23 O LYS A 2 9.079 15.076 1.640 1.00 20.33 O ATOM 24 CB LYS A 2 10.575 16.058 4.087 1.00 13.24 C ATOM 25 CG LYS A 2 9.353 16.327 5.002 1.00 42.42 C ATOM 26 CD LYS A 2 9.485 17.641 5.809 1.00 75.03 C ATOM 27 CE LYS A 2 10.671 17.611 6.794 1.00 52.34 C ATOM 28 NZ LYS A 2 10.837 18.895 7.515 1.00 73.45 N ATOM 0 H LYS A 2 12.510 15.316 2.794 1.00 63.34 H new ATOM 0 HA LYS A 2 10.618 13.885 4.254 1.00 32.55 H new ATOM 0 HB2 LYS A 2 11.484 16.226 4.664 1.00 13.24 H new ATOM 0 HB3 LYS A 2 10.571 16.789 3.279 1.00 13.24 H new ATOM 0 HG2 LYS A 2 8.451 16.370 4.392 1.00 42.42 H new ATOM 0 HG3 LYS A 2 9.231 15.493 5.693 1.00 42.42 H new ATOM 0 HD2 LYS A 2 9.610 18.476 5.120 1.00 75.03 H new ATOM 0 HD3 LYS A 2 8.562 17.819 6.361 1.00 75.03 H new ATOM 0 HE2 LYS A 2 10.520 16.808 7.516 1.00 52.34 H new ATOM 0 HE3 LYS A 2 11.587 17.382 6.249 1.00 52.34 H new ATOM 0 HZ1 LYS A 2 11.646 18.826 8.165 1.00 73.45 H new ATOM 0 HZ2 LYS A 2 11.008 19.658 6.830 1.00 73.45 H new ATOM 0 HZ3 LYS A 2 9.974 19.103 8.057 1.00 73.45 H new ATOM 42 N MET A 3 8.666 13.258 2.956 1.00 62.41 N ATOM 43 CA MET A 3 7.503 12.730 2.206 1.00 31.14 C ATOM 44 C MET A 3 6.751 11.667 3.073 1.00 50.23 C ATOM 45 O MET A 3 7.318 11.138 4.037 1.00 5.50 O ATOM 46 CB MET A 3 8.001 12.110 0.855 1.00 33.11 C ATOM 47 CG MET A 3 6.907 11.721 -0.155 1.00 11.33 C ATOM 48 SD MET A 3 7.571 11.026 -1.689 1.00 35.23 S ATOM 49 CE MET A 3 8.510 12.408 -2.348 1.00 53.52 C ATOM 0 H MET A 3 8.884 12.712 3.790 1.00 62.41 H new ATOM 0 HA MET A 3 6.805 13.537 1.983 1.00 31.14 H new ATOM 0 HB2 MET A 3 8.672 12.824 0.377 1.00 33.11 H new ATOM 0 HB3 MET A 3 8.590 11.222 1.082 1.00 33.11 H new ATOM 0 HG2 MET A 3 6.237 10.995 0.306 1.00 11.33 H new ATOM 0 HG3 MET A 3 6.309 12.601 -0.391 1.00 11.33 H new ATOM 0 HE1 MET A 3 8.716 12.237 -3.405 1.00 53.52 H new ATOM 0 HE2 MET A 3 7.934 13.326 -2.235 1.00 53.52 H new ATOM 0 HE3 MET A 3 9.451 12.501 -1.805 1.00 53.52 H new ATOM 59 N LEU A 4 5.483 11.346 2.714 1.00 34.32 N ATOM 60 CA LEU A 4 4.703 10.244 3.380 1.00 33.25 C ATOM 61 C LEU A 4 5.385 8.852 3.208 1.00 33.25 C ATOM 62 O LEU A 4 5.033 7.890 3.887 1.00 24.15 O ATOM 63 CB LEU A 4 3.227 10.181 2.850 1.00 51.54 C ATOM 64 CG LEU A 4 2.952 9.331 1.553 1.00 71.05 C ATOM 65 CD1 LEU A 4 1.443 9.245 1.242 1.00 51.01 C ATOM 66 CD2 LEU A 4 3.747 9.849 0.332 1.00 52.52 C ATOM 0 H LEU A 4 4.971 11.825 1.973 1.00 34.32 H new ATOM 0 HA LEU A 4 4.685 10.484 4.443 1.00 33.25 H new ATOM 0 HB2 LEU A 4 2.600 9.786 3.649 1.00 51.54 H new ATOM 0 HB3 LEU A 4 2.895 11.202 2.659 1.00 51.54 H new ATOM 0 HG LEU A 4 3.308 8.322 1.760 1.00 71.05 H new ATOM 0 HD11 LEU A 4 1.291 8.651 0.341 1.00 51.01 H new ATOM 0 HD12 LEU A 4 0.925 8.775 2.078 1.00 51.01 H new ATOM 0 HD13 LEU A 4 1.046 10.248 1.087 1.00 51.01 H new ATOM 0 HD21 LEU A 4 3.523 9.230 -0.537 1.00 52.52 H new ATOM 0 HD22 LEU A 4 3.464 10.881 0.125 1.00 52.52 H new ATOM 0 HD23 LEU A 4 4.815 9.801 0.546 1.00 52.52 H new ATOM 78 N LYS A 5 6.333 8.779 2.259 1.00 43.31 N ATOM 79 CA LYS A 5 7.153 7.588 1.976 1.00 41.42 C ATOM 80 C LYS A 5 8.094 7.272 3.168 1.00 63.13 C ATOM 81 O LYS A 5 8.314 6.105 3.516 1.00 40.43 O ATOM 82 CB LYS A 5 7.972 7.865 0.689 1.00 35.44 C ATOM 83 CG LYS A 5 8.730 6.655 0.114 1.00 74.11 C ATOM 84 CD LYS A 5 9.443 6.977 -1.222 1.00 44.04 C ATOM 85 CE LYS A 5 10.558 8.023 -1.085 1.00 65.14 C ATOM 86 NZ LYS A 5 11.648 7.552 -0.198 1.00 55.35 N ATOM 0 H LYS A 5 6.556 9.567 1.651 1.00 43.31 H new ATOM 0 HA LYS A 5 6.511 6.719 1.831 1.00 41.42 H new ATOM 0 HB2 LYS A 5 7.296 8.245 -0.076 1.00 35.44 H new ATOM 0 HB3 LYS A 5 8.692 8.656 0.900 1.00 35.44 H new ATOM 0 HG2 LYS A 5 9.467 6.314 0.841 1.00 74.11 H new ATOM 0 HG3 LYS A 5 8.031 5.833 -0.041 1.00 74.11 H new ATOM 0 HD2 LYS A 5 9.865 6.059 -1.630 1.00 44.04 H new ATOM 0 HD3 LYS A 5 8.706 7.335 -1.941 1.00 44.04 H new ATOM 0 HE2 LYS A 5 10.964 8.252 -2.070 1.00 65.14 H new ATOM 0 HE3 LYS A 5 10.141 8.949 -0.689 1.00 65.14 H new ATOM 0 HZ1 LYS A 5 12.567 7.808 -0.612 1.00 55.35 H new ATOM 0 HZ2 LYS A 5 11.552 7.998 0.737 1.00 55.35 H new ATOM 0 HZ3 LYS A 5 11.590 6.519 -0.096 1.00 55.35 H new ATOM 100 N GLU A 6 8.625 8.346 3.787 1.00 71.50 N ATOM 101 CA GLU A 6 9.490 8.256 4.986 1.00 51.32 C ATOM 102 C GLU A 6 8.655 7.813 6.212 1.00 3.41 C ATOM 103 O GLU A 6 9.112 7.026 7.052 1.00 45.31 O ATOM 104 CB GLU A 6 10.174 9.629 5.277 1.00 44.15 C ATOM 105 CG GLU A 6 10.748 10.362 4.041 1.00 0.11 C ATOM 106 CD GLU A 6 11.823 9.567 3.274 1.00 15.13 C ATOM 107 OE1 GLU A 6 11.465 8.771 2.370 1.00 42.43 O ATOM 108 OE2 GLU A 6 13.032 9.756 3.549 1.00 31.12 O ATOM 0 H GLU A 6 8.467 9.303 3.471 1.00 71.50 H new ATOM 0 HA GLU A 6 10.266 7.515 4.795 1.00 51.32 H new ATOM 0 HB2 GLU A 6 9.447 10.282 5.760 1.00 44.15 H new ATOM 0 HB3 GLU A 6 10.982 9.469 5.991 1.00 44.15 H new ATOM 0 HG2 GLU A 6 9.930 10.595 3.359 1.00 0.11 H new ATOM 0 HG3 GLU A 6 11.176 11.312 4.363 1.00 0.11 H new ATOM 115 N LYS A 7 7.421 8.355 6.288 1.00 62.24 N ATOM 116 CA LYS A 7 6.401 7.946 7.282 1.00 61.32 C ATOM 117 C LYS A 7 6.046 6.443 7.143 1.00 43.24 C ATOM 118 O LYS A 7 5.901 5.741 8.138 1.00 75.33 O ATOM 119 CB LYS A 7 5.115 8.792 7.094 1.00 3.01 C ATOM 120 CG LYS A 7 3.959 8.450 8.074 1.00 14.33 C ATOM 121 CD LYS A 7 2.568 8.769 7.488 1.00 24.03 C ATOM 122 CE LYS A 7 1.423 8.434 8.464 1.00 32.11 C ATOM 123 NZ LYS A 7 0.083 8.602 7.845 1.00 22.54 N ATOM 0 H LYS A 7 7.101 9.092 5.660 1.00 62.24 H new ATOM 0 HA LYS A 7 6.818 8.112 8.275 1.00 61.32 H new ATOM 0 HB2 LYS A 7 5.370 9.845 7.209 1.00 3.01 H new ATOM 0 HB3 LYS A 7 4.757 8.661 6.073 1.00 3.01 H new ATOM 0 HG2 LYS A 7 4.007 7.392 8.331 1.00 14.33 H new ATOM 0 HG3 LYS A 7 4.096 9.009 9.000 1.00 14.33 H new ATOM 0 HD2 LYS A 7 2.521 9.826 7.228 1.00 24.03 H new ATOM 0 HD3 LYS A 7 2.429 8.207 6.564 1.00 24.03 H new ATOM 0 HE2 LYS A 7 1.534 7.407 8.811 1.00 32.11 H new ATOM 0 HE3 LYS A 7 1.498 9.076 9.342 1.00 32.11 H new ATOM 0 HZ1 LYS A 7 -0.615 8.035 8.368 1.00 22.54 H new ATOM 0 HZ2 LYS A 7 -0.191 9.605 7.877 1.00 22.54 H new ATOM 0 HZ3 LYS A 7 0.115 8.284 6.855 1.00 22.54 H new ATOM 137 N ALA A 8 5.901 5.980 5.885 1.00 75.42 N ATOM 138 CA ALA A 8 5.604 4.563 5.558 1.00 52.11 C ATOM 139 C ALA A 8 6.733 3.625 6.044 1.00 42.35 C ATOM 140 O ALA A 8 6.477 2.502 6.483 1.00 73.51 O ATOM 141 CB ALA A 8 5.376 4.412 4.043 1.00 4.15 C ATOM 0 H ALA A 8 5.986 6.577 5.062 1.00 75.42 H new ATOM 0 HA ALA A 8 4.693 4.272 6.081 1.00 52.11 H new ATOM 0 HB1 ALA A 8 5.159 3.370 3.810 1.00 4.15 H new ATOM 0 HB2 ALA A 8 4.535 5.035 3.738 1.00 4.15 H new ATOM 0 HB3 ALA A 8 6.272 4.724 3.507 1.00 4.15 H new ATOM 147 N GLY A 9 7.979 4.133 5.975 1.00 43.11 N ATOM 148 CA GLY A 9 9.151 3.442 6.530 1.00 44.34 C ATOM 149 C GLY A 9 9.164 3.421 8.070 1.00 52.13 C ATOM 150 O GLY A 9 9.570 2.427 8.683 1.00 50.53 O ATOM 0 H GLY A 9 8.197 5.027 5.536 1.00 43.11 H new ATOM 0 HA2 GLY A 9 9.172 2.418 6.158 1.00 44.34 H new ATOM 0 HA3 GLY A 9 10.057 3.930 6.171 1.00 44.34 H new ATOM 154 N ALA A 10 8.700 4.526 8.687 1.00 24.35 N ATOM 155 CA ALA A 10 8.590 4.658 10.164 1.00 10.33 C ATOM 156 C ALA A 10 7.534 3.674 10.744 1.00 30.33 C ATOM 157 O ALA A 10 7.768 3.004 11.761 1.00 50.45 O ATOM 158 CB ALA A 10 8.232 6.109 10.537 1.00 2.24 C ATOM 0 H ALA A 10 8.390 5.355 8.181 1.00 24.35 H new ATOM 0 HA ALA A 10 9.556 4.403 10.600 1.00 10.33 H new ATOM 0 HB1 ALA A 10 8.153 6.197 11.621 1.00 2.24 H new ATOM 0 HB2 ALA A 10 9.010 6.781 10.174 1.00 2.24 H new ATOM 0 HB3 ALA A 10 7.279 6.377 10.081 1.00 2.24 H new ATOM 164 N LEU A 11 6.378 3.591 10.056 1.00 73.44 N ATOM 165 CA LEU A 11 5.281 2.657 10.393 1.00 61.02 C ATOM 166 C LEU A 11 5.700 1.199 10.112 1.00 20.12 C ATOM 167 O LEU A 11 5.296 0.287 10.825 1.00 2.35 O ATOM 168 CB LEU A 11 4.003 3.023 9.590 1.00 12.44 C ATOM 169 CG LEU A 11 3.439 4.461 9.835 1.00 40.45 C ATOM 170 CD1 LEU A 11 2.241 4.758 8.911 1.00 23.40 C ATOM 171 CD2 LEU A 11 3.085 4.682 11.325 1.00 64.41 C ATOM 0 H LEU A 11 6.176 4.174 9.244 1.00 73.44 H new ATOM 0 HA LEU A 11 5.063 2.747 11.457 1.00 61.02 H new ATOM 0 HB2 LEU A 11 4.220 2.913 8.527 1.00 12.44 H new ATOM 0 HB3 LEU A 11 3.224 2.300 9.833 1.00 12.44 H new ATOM 0 HG LEU A 11 4.225 5.173 9.583 1.00 40.45 H new ATOM 0 HD11 LEU A 11 1.872 5.765 9.106 1.00 23.40 H new ATOM 0 HD12 LEU A 11 2.557 4.682 7.870 1.00 23.40 H new ATOM 0 HD13 LEU A 11 1.446 4.037 9.102 1.00 23.40 H new ATOM 0 HD21 LEU A 11 2.696 5.691 11.461 1.00 64.41 H new ATOM 0 HD22 LEU A 11 2.330 3.958 11.631 1.00 64.41 H new ATOM 0 HD23 LEU A 11 3.979 4.553 11.934 1.00 64.41 H new ATOM 183 N ALA A 12 6.527 1.008 9.069 1.00 51.23 N ATOM 184 CA ALA A 12 7.096 -0.312 8.711 1.00 43.22 C ATOM 185 C ALA A 12 7.932 -0.917 9.856 1.00 33.12 C ATOM 186 O ALA A 12 7.832 -2.112 10.141 1.00 33.42 O ATOM 187 CB ALA A 12 7.959 -0.197 7.449 1.00 22.30 C ATOM 0 H ALA A 12 6.822 1.761 8.448 1.00 51.23 H new ATOM 0 HA ALA A 12 6.256 -0.980 8.523 1.00 43.22 H new ATOM 0 HB1 ALA A 12 8.370 -1.175 7.199 1.00 22.30 H new ATOM 0 HB2 ALA A 12 7.347 0.162 6.621 1.00 22.30 H new ATOM 0 HB3 ALA A 12 8.774 0.504 7.628 1.00 22.30 H new ATOM 193 N GLY A 13 8.756 -0.062 10.487 1.00 32.34 N ATOM 194 CA GLY A 13 9.595 -0.465 11.621 1.00 74.43 C ATOM 195 C GLY A 13 8.804 -1.023 12.814 1.00 1.30 C ATOM 196 O GLY A 13 9.075 -2.129 13.276 1.00 21.43 O ATOM 0 H GLY A 13 8.856 0.919 10.225 1.00 32.34 H new ATOM 0 HA2 GLY A 13 10.306 -1.220 11.284 1.00 74.43 H new ATOM 0 HA3 GLY A 13 10.177 0.395 11.954 1.00 74.43 H new ATOM 200 N GLN A 14 7.798 -0.260 13.279 1.00 3.12 N ATOM 201 CA GLN A 14 6.966 -0.633 14.457 1.00 43.44 C ATOM 202 C GLN A 14 6.028 -1.845 14.160 1.00 10.31 C ATOM 203 O GLN A 14 5.776 -2.670 15.048 1.00 20.21 O ATOM 204 CB GLN A 14 6.155 0.601 14.953 1.00 65.10 C ATOM 205 CG GLN A 14 5.180 1.187 13.917 1.00 52.52 C ATOM 206 CD GLN A 14 4.530 2.500 14.356 1.00 64.31 C ATOM 207 OE1 GLN A 14 3.476 2.513 14.971 1.00 4.33 O ATOM 208 NE2 GLN A 14 5.167 3.617 14.050 1.00 10.11 N ATOM 0 H GLN A 14 7.533 0.630 12.857 1.00 3.12 H new ATOM 0 HA GLN A 14 7.641 -0.952 15.251 1.00 43.44 H new ATOM 0 HB2 GLN A 14 5.592 0.315 15.841 1.00 65.10 H new ATOM 0 HB3 GLN A 14 6.854 1.381 15.256 1.00 65.10 H new ATOM 0 HG2 GLN A 14 5.714 1.352 12.981 1.00 52.52 H new ATOM 0 HG3 GLN A 14 4.398 0.455 13.713 1.00 52.52 H new ATOM 0 HE21 GLN A 14 6.047 3.578 13.535 1.00 10.11 H new ATOM 0 HE22 GLN A 14 4.779 4.518 14.329 1.00 10.11 H new ATOM 217 N ILE A 15 5.513 -1.944 12.910 1.00 71.14 N ATOM 218 CA ILE A 15 4.692 -3.107 12.455 1.00 73.52 C ATOM 219 C ILE A 15 5.551 -4.399 12.387 1.00 61.24 C ATOM 220 O ILE A 15 5.093 -5.487 12.768 1.00 20.23 O ATOM 221 CB ILE A 15 3.982 -2.799 11.066 1.00 33.10 C ATOM 222 CG1 ILE A 15 2.891 -1.688 11.258 1.00 35.31 C ATOM 223 CG2 ILE A 15 3.368 -4.067 10.407 1.00 1.42 C ATOM 224 CD1 ILE A 15 2.147 -1.280 9.995 1.00 32.15 C ATOM 0 H ILE A 15 5.649 -1.232 12.192 1.00 71.14 H new ATOM 0 HA ILE A 15 3.905 -3.275 13.190 1.00 73.52 H new ATOM 0 HB ILE A 15 4.751 -2.440 10.382 1.00 33.10 H new ATOM 0 HG12 ILE A 15 2.164 -2.039 11.990 1.00 35.31 H new ATOM 0 HG13 ILE A 15 3.368 -0.803 11.681 1.00 35.31 H new ATOM 0 HG21 ILE A 15 2.897 -3.794 9.462 1.00 1.42 H new ATOM 0 HG22 ILE A 15 4.155 -4.799 10.223 1.00 1.42 H new ATOM 0 HG23 ILE A 15 2.621 -4.498 11.073 1.00 1.42 H new ATOM 0 HD11 ILE A 15 1.417 -0.508 10.236 1.00 32.15 H new ATOM 0 HD12 ILE A 15 2.857 -0.892 9.264 1.00 32.15 H new ATOM 0 HD13 ILE A 15 1.634 -2.147 9.579 1.00 32.15 H new ATOM 236 N TRP A 16 6.809 -4.247 11.924 1.00 13.12 N ATOM 237 CA TRP A 16 7.820 -5.327 11.940 1.00 15.31 C ATOM 238 C TRP A 16 8.098 -5.809 13.392 1.00 2.33 C ATOM 239 O TRP A 16 8.180 -7.009 13.645 1.00 70.42 O ATOM 240 CB TRP A 16 9.144 -4.842 11.275 1.00 2.14 C ATOM 241 CG TRP A 16 10.195 -5.925 11.139 1.00 42.14 C ATOM 242 CD1 TRP A 16 10.318 -6.815 10.113 1.00 43.44 C ATOM 243 CD2 TRP A 16 11.249 -6.243 12.071 1.00 22.12 C ATOM 244 NE1 TRP A 16 11.375 -7.660 10.343 1.00 33.11 N ATOM 245 CE2 TRP A 16 11.958 -7.333 11.540 1.00 13.03 C ATOM 246 CE3 TRP A 16 11.654 -5.710 13.303 1.00 35.00 C ATOM 247 CZ2 TRP A 16 13.050 -7.902 12.193 1.00 63.53 C ATOM 248 CZ3 TRP A 16 12.736 -6.276 13.952 1.00 54.24 C ATOM 249 CH2 TRP A 16 13.423 -7.364 13.396 1.00 44.44 C ATOM 0 H TRP A 16 7.154 -3.372 11.528 1.00 13.12 H new ATOM 0 HA TRP A 16 7.424 -6.167 11.370 1.00 15.31 H new ATOM 0 HB2 TRP A 16 8.918 -4.443 10.286 1.00 2.14 H new ATOM 0 HB3 TRP A 16 9.555 -4.022 11.863 1.00 2.14 H new ATOM 0 HD1 TRP A 16 9.676 -6.850 9.245 1.00 43.44 H new ATOM 0 HE1 TRP A 16 11.678 -8.411 9.723 1.00 33.11 H new ATOM 0 HE3 TRP A 16 11.130 -4.872 13.738 1.00 35.00 H new ATOM 0 HZ2 TRP A 16 13.583 -8.738 11.765 1.00 63.53 H new ATOM 0 HZ3 TRP A 16 13.057 -5.874 14.902 1.00 54.24 H new ATOM 0 HH2 TRP A 16 14.263 -7.786 13.927 1.00 44.44 H new ATOM 260 N GLU A 17 8.246 -4.844 14.333 1.00 24.01 N ATOM 261 CA GLU A 17 8.518 -5.135 15.771 1.00 23.14 C ATOM 262 C GLU A 17 7.333 -5.845 16.469 1.00 54.31 C ATOM 263 O GLU A 17 7.538 -6.624 17.410 1.00 53.21 O ATOM 264 CB GLU A 17 8.897 -3.841 16.542 1.00 32.13 C ATOM 265 CG GLU A 17 10.207 -3.183 16.074 1.00 32.02 C ATOM 266 CD GLU A 17 10.699 -2.095 17.043 1.00 4.11 C ATOM 267 OE1 GLU A 17 10.308 -0.918 16.888 1.00 71.41 O ATOM 268 OE2 GLU A 17 11.466 -2.431 17.980 1.00 64.11 O ATOM 0 H GLU A 17 8.182 -3.848 14.123 1.00 24.01 H new ATOM 0 HA GLU A 17 9.365 -5.820 15.791 1.00 23.14 H new ATOM 0 HB2 GLU A 17 8.086 -3.120 16.439 1.00 32.13 H new ATOM 0 HB3 GLU A 17 8.982 -4.076 17.603 1.00 32.13 H new ATOM 0 HG2 GLU A 17 10.977 -3.948 15.970 1.00 32.02 H new ATOM 0 HG3 GLU A 17 10.057 -2.745 15.087 1.00 32.02 H new ATOM 275 N ALA A 18 6.101 -5.577 15.995 1.00 51.32 N ATOM 276 CA ALA A 18 4.883 -6.290 16.464 1.00 41.43 C ATOM 277 C ALA A 18 4.922 -7.787 16.050 1.00 41.25 C ATOM 278 O ALA A 18 4.476 -8.667 16.798 1.00 2.13 O ATOM 279 CB ALA A 18 3.618 -5.603 15.910 1.00 40.52 C ATOM 0 H ALA A 18 5.916 -4.869 15.284 1.00 51.32 H new ATOM 0 HA ALA A 18 4.855 -6.245 17.553 1.00 41.43 H new ATOM 0 HB1 ALA A 18 2.733 -6.134 16.260 1.00 40.52 H new ATOM 0 HB2 ALA A 18 3.583 -4.570 16.257 1.00 40.52 H new ATOM 0 HB3 ALA A 18 3.643 -5.619 14.820 1.00 40.52 H new ATOM 285 N LEU A 19 5.469 -8.050 14.847 1.00 44.42 N ATOM 286 CA LEU A 19 5.630 -9.414 14.293 1.00 71.34 C ATOM 287 C LEU A 19 6.965 -10.084 14.738 1.00 71.21 C ATOM 288 O LEU A 19 7.102 -11.311 14.637 1.00 65.00 O ATOM 289 CB LEU A 19 5.549 -9.339 12.743 1.00 64.31 C ATOM 290 CG LEU A 19 4.185 -8.845 12.160 1.00 1.03 C ATOM 291 CD1 LEU A 19 4.252 -8.681 10.620 1.00 25.42 C ATOM 292 CD2 LEU A 19 3.036 -9.791 12.587 1.00 61.31 C ATOM 0 H LEU A 19 5.815 -7.318 14.226 1.00 44.42 H new ATOM 0 HA LEU A 19 4.826 -10.038 14.684 1.00 71.34 H new ATOM 0 HB2 LEU A 19 6.337 -8.675 12.388 1.00 64.31 H new ATOM 0 HB3 LEU A 19 5.759 -10.329 12.338 1.00 64.31 H new ATOM 0 HG LEU A 19 3.976 -7.859 12.574 1.00 1.03 H new ATOM 0 HD11 LEU A 19 3.287 -8.336 10.248 1.00 25.42 H new ATOM 0 HD12 LEU A 19 5.021 -7.951 10.365 1.00 25.42 H new ATOM 0 HD13 LEU A 19 4.496 -9.640 10.162 1.00 25.42 H new ATOM 0 HD21 LEU A 19 2.095 -9.431 12.172 1.00 61.31 H new ATOM 0 HD22 LEU A 19 3.235 -10.796 12.216 1.00 61.31 H new ATOM 0 HD23 LEU A 19 2.968 -9.813 13.675 1.00 61.31 H new ATOM 304 N ASN A 20 7.940 -9.274 15.209 1.00 74.03 N ATOM 305 CA ASN A 20 9.272 -9.769 15.641 1.00 2.04 C ATOM 306 C ASN A 20 9.164 -10.694 16.880 1.00 44.13 C ATOM 307 O ASN A 20 8.617 -10.296 17.915 1.00 32.20 O ATOM 308 CB ASN A 20 10.236 -8.587 15.926 1.00 30.51 C ATOM 309 CG ASN A 20 11.680 -9.035 16.194 1.00 73.41 C ATOM 310 OD1 ASN A 20 12.147 -10.026 15.641 1.00 64.12 O ATOM 311 ND2 ASN A 20 12.396 -8.316 17.036 1.00 62.14 N ATOM 0 H ASN A 20 7.829 -8.264 15.301 1.00 74.03 H new ATOM 0 HA ASN A 20 9.681 -10.359 14.821 1.00 2.04 H new ATOM 0 HB2 ASN A 20 10.226 -7.905 15.076 1.00 30.51 H new ATOM 0 HB3 ASN A 20 9.870 -8.028 16.787 1.00 30.51 H new ATOM 0 HD21 ASN A 20 13.360 -8.580 17.240 1.00 62.14 H new ATOM 0 HD22 ASN A 20 11.986 -7.496 17.483 1.00 62.14 H new ATOM 318 N GLY A 21 9.685 -11.933 16.743 1.00 24.15 N ATOM 319 CA GLY A 21 9.598 -12.957 17.803 1.00 62.24 C ATOM 320 C GLY A 21 8.178 -13.513 18.023 1.00 73.53 C ATOM 321 O GLY A 21 7.920 -14.209 19.012 1.00 53.21 O ATOM 0 H GLY A 21 10.172 -12.247 15.904 1.00 24.15 H new ATOM 0 HA2 GLY A 21 10.265 -13.782 17.553 1.00 62.24 H new ATOM 0 HA3 GLY A 21 9.958 -12.528 18.738 1.00 62.24 H new ATOM 325 N THR A 22 7.260 -13.209 17.084 1.00 53.24 N ATOM 326 CA THR A 22 5.831 -13.593 17.170 1.00 21.22 C ATOM 327 C THR A 22 5.437 -14.510 15.986 1.00 51.42 C ATOM 328 O THR A 22 5.990 -14.392 14.884 1.00 71.33 O ATOM 329 CB THR A 22 4.903 -12.319 17.178 1.00 43.44 C ATOM 330 OG1 THR A 22 5.411 -11.343 18.109 1.00 10.21 O ATOM 331 CG2 THR A 22 3.449 -12.663 17.564 1.00 24.11 C ATOM 0 H THR A 22 7.488 -12.687 16.238 1.00 53.24 H new ATOM 0 HA THR A 22 5.693 -14.136 18.105 1.00 21.22 H new ATOM 0 HB THR A 22 4.904 -11.916 16.165 1.00 43.44 H new ATOM 0 HG1 THR A 22 5.178 -10.443 17.799 1.00 10.21 H new ATOM 0 HG21 THR A 22 2.846 -11.755 17.556 1.00 24.11 H new ATOM 0 HG22 THR A 22 3.041 -13.376 16.847 1.00 24.11 H new ATOM 0 HG23 THR A 22 3.431 -13.102 18.562 1.00 24.11 H new ATOM 339 N GLU A 23 4.468 -15.414 16.233 1.00 24.31 N ATOM 340 CA GLU A 23 3.904 -16.326 15.205 1.00 75.13 C ATOM 341 C GLU A 23 3.114 -15.573 14.099 1.00 4.22 C ATOM 342 O GLU A 23 2.951 -16.096 12.998 1.00 32.24 O ATOM 343 CB GLU A 23 2.987 -17.372 15.892 1.00 73.43 C ATOM 344 CG GLU A 23 1.833 -16.755 16.715 1.00 54.23 C ATOM 345 CD GLU A 23 0.901 -17.807 17.334 1.00 72.55 C ATOM 346 OE1 GLU A 23 1.313 -18.471 18.306 1.00 34.33 O ATOM 347 OE2 GLU A 23 -0.248 -17.958 16.871 1.00 75.34 O ATOM 0 H GLU A 23 4.049 -15.536 17.155 1.00 24.31 H new ATOM 0 HA GLU A 23 4.742 -16.820 14.713 1.00 75.13 H new ATOM 0 HB2 GLU A 23 2.566 -18.027 15.129 1.00 73.43 H new ATOM 0 HB3 GLU A 23 3.594 -17.996 16.548 1.00 73.43 H new ATOM 0 HG2 GLU A 23 2.252 -16.138 17.510 1.00 54.23 H new ATOM 0 HG3 GLU A 23 1.250 -16.095 16.073 1.00 54.23 H new ATOM 354 N GLY A 24 2.620 -14.352 14.412 1.00 31.34 N ATOM 355 CA GLY A 24 1.849 -13.539 13.455 1.00 32.33 C ATOM 356 C GLY A 24 0.468 -13.135 13.958 1.00 74.25 C ATOM 357 O GLY A 24 -0.172 -13.880 14.705 1.00 52.22 O ATOM 0 H GLY A 24 2.745 -13.912 15.324 1.00 31.34 H new ATOM 0 HA2 GLY A 24 2.416 -12.639 13.219 1.00 32.33 H new ATOM 0 HA3 GLY A 24 1.737 -14.098 12.526 1.00 32.33 H new ATOM 361 N LEU A 25 0.004 -11.944 13.532 1.00 4.12 N ATOM 362 CA LEU A 25 -1.301 -11.375 13.947 1.00 42.54 C ATOM 363 C LEU A 25 -2.133 -10.982 12.701 1.00 45.21 C ATOM 364 O LEU A 25 -1.600 -10.878 11.587 1.00 21.42 O ATOM 365 CB LEU A 25 -1.126 -10.109 14.855 1.00 60.21 C ATOM 366 CG LEU A 25 -0.368 -10.246 16.223 1.00 64.31 C ATOM 367 CD1 LEU A 25 -0.872 -11.448 17.046 1.00 62.24 C ATOM 368 CD2 LEU A 25 1.167 -10.257 16.032 1.00 11.31 C ATOM 0 H LEU A 25 0.522 -11.345 12.889 1.00 4.12 H new ATOM 0 HA LEU A 25 -1.817 -12.145 14.521 1.00 42.54 H new ATOM 0 HB2 LEU A 25 -0.607 -9.353 14.267 1.00 60.21 H new ATOM 0 HB3 LEU A 25 -2.121 -9.719 15.069 1.00 60.21 H new ATOM 0 HG LEU A 25 -0.600 -9.357 16.809 1.00 64.31 H new ATOM 0 HD11 LEU A 25 -0.320 -11.504 17.984 1.00 62.24 H new ATOM 0 HD12 LEU A 25 -1.934 -11.325 17.257 1.00 62.24 H new ATOM 0 HD13 LEU A 25 -0.719 -12.367 16.480 1.00 62.24 H new ATOM 0 HD21 LEU A 25 1.654 -10.353 17.003 1.00 11.31 H new ATOM 0 HD22 LEU A 25 1.449 -11.099 15.400 1.00 11.31 H new ATOM 0 HD23 LEU A 25 1.481 -9.327 15.559 1.00 11.31 H new ATOM 380 N THR A 26 -3.446 -10.763 12.907 1.00 73.51 N ATOM 381 CA THR A 26 -4.341 -10.201 11.861 1.00 71.13 C ATOM 382 C THR A 26 -4.143 -8.669 11.729 1.00 45.34 C ATOM 383 O THR A 26 -3.498 -8.039 12.582 1.00 52.22 O ATOM 384 CB THR A 26 -5.852 -10.502 12.149 1.00 53.23 C ATOM 385 OG1 THR A 26 -6.265 -9.904 13.390 1.00 44.31 O ATOM 386 CG2 THR A 26 -6.152 -12.013 12.173 1.00 53.22 C ATOM 0 H THR A 26 -3.917 -10.965 13.789 1.00 73.51 H new ATOM 0 HA THR A 26 -4.068 -10.689 10.925 1.00 71.13 H new ATOM 0 HB THR A 26 -6.421 -10.062 11.330 1.00 53.23 H new ATOM 0 HG1 THR A 26 -7.211 -10.102 13.550 1.00 44.31 H new ATOM 0 HG21 THR A 26 -7.211 -12.170 12.376 1.00 53.22 H new ATOM 0 HG22 THR A 26 -5.899 -12.450 11.207 1.00 53.22 H new ATOM 0 HG23 THR A 26 -5.558 -12.489 12.953 1.00 53.22 H new ATOM 394 N GLN A 27 -4.720 -8.082 10.658 1.00 70.20 N ATOM 395 CA GLN A 27 -4.531 -6.650 10.312 1.00 54.21 C ATOM 396 C GLN A 27 -4.958 -5.673 11.456 1.00 74.32 C ATOM 397 O GLN A 27 -4.288 -4.663 11.694 1.00 74.54 O ATOM 398 CB GLN A 27 -5.237 -6.334 8.948 1.00 24.10 C ATOM 399 CG GLN A 27 -6.784 -6.511 8.886 1.00 70.44 C ATOM 400 CD GLN A 27 -7.573 -5.220 9.166 1.00 53.10 C ATOM 401 OE1 GLN A 27 -7.917 -4.918 10.296 1.00 10.13 O ATOM 402 NE2 GLN A 27 -7.851 -4.438 8.136 1.00 61.20 N ATOM 0 H GLN A 27 -5.328 -8.582 10.009 1.00 70.20 H new ATOM 0 HA GLN A 27 -3.461 -6.477 10.193 1.00 54.21 H new ATOM 0 HB2 GLN A 27 -5.004 -5.304 8.679 1.00 24.10 H new ATOM 0 HB3 GLN A 27 -4.794 -6.971 8.183 1.00 24.10 H new ATOM 0 HG2 GLN A 27 -7.057 -6.885 7.899 1.00 70.44 H new ATOM 0 HG3 GLN A 27 -7.082 -7.271 9.609 1.00 70.44 H new ATOM 0 HE21 GLN A 27 -7.555 -4.706 7.197 1.00 61.20 H new ATOM 0 HE22 GLN A 27 -8.361 -3.566 8.280 1.00 61.20 H new ATOM 411 N LYS A 28 -6.069 -6.003 12.153 1.00 62.45 N ATOM 412 CA LYS A 28 -6.550 -5.247 13.344 1.00 23.24 C ATOM 413 C LYS A 28 -5.547 -5.361 14.514 1.00 12.01 C ATOM 414 O LYS A 28 -5.196 -4.356 15.126 1.00 14.24 O ATOM 415 CB LYS A 28 -7.977 -5.752 13.771 1.00 62.54 C ATOM 416 CG LYS A 28 -8.763 -4.889 14.815 1.00 54.14 C ATOM 417 CD LYS A 28 -8.270 -5.045 16.285 1.00 31.40 C ATOM 418 CE LYS A 28 -9.139 -4.284 17.303 1.00 25.14 C ATOM 419 NZ LYS A 28 -10.519 -4.833 17.367 1.00 13.41 N ATOM 0 H LYS A 28 -6.660 -6.798 11.911 1.00 62.45 H new ATOM 0 HA LYS A 28 -6.625 -4.193 13.076 1.00 23.24 H new ATOM 0 HB2 LYS A 28 -8.589 -5.834 12.872 1.00 62.54 H new ATOM 0 HB3 LYS A 28 -7.871 -6.758 14.177 1.00 62.54 H new ATOM 0 HG2 LYS A 28 -8.688 -3.840 14.530 1.00 54.14 H new ATOM 0 HG3 LYS A 28 -9.818 -5.158 14.769 1.00 54.14 H new ATOM 0 HD2 LYS A 28 -8.259 -6.103 16.547 1.00 31.40 H new ATOM 0 HD3 LYS A 28 -7.243 -4.688 16.356 1.00 31.40 H new ATOM 0 HE2 LYS A 28 -8.678 -4.341 18.289 1.00 25.14 H new ATOM 0 HE3 LYS A 28 -9.179 -3.229 17.031 1.00 25.14 H new ATOM 0 HZ1 LYS A 28 -11.028 -4.401 18.165 1.00 13.41 H new ATOM 0 HZ2 LYS A 28 -11.019 -4.619 16.481 1.00 13.41 H new ATOM 0 HZ3 LYS A 28 -10.477 -5.864 17.501 1.00 13.41 H new ATOM 433 N GLN A 29 -5.106 -6.600 14.813 1.00 3.51 N ATOM 434 CA GLN A 29 -4.274 -6.896 16.010 1.00 32.10 C ATOM 435 C GLN A 29 -2.901 -6.184 15.966 1.00 12.02 C ATOM 436 O GLN A 29 -2.418 -5.691 16.993 1.00 73.53 O ATOM 437 CB GLN A 29 -4.080 -8.425 16.188 1.00 62.34 C ATOM 438 CG GLN A 29 -5.369 -9.263 16.375 1.00 70.33 C ATOM 439 CD GLN A 29 -6.170 -8.986 17.664 1.00 63.34 C ATOM 440 OE1 GLN A 29 -6.227 -7.873 18.178 1.00 14.44 O ATOM 441 NE2 GLN A 29 -6.795 -10.012 18.204 1.00 13.25 N ATOM 0 H GLN A 29 -5.311 -7.420 14.242 1.00 3.51 H new ATOM 0 HA GLN A 29 -4.817 -6.505 16.871 1.00 32.10 H new ATOM 0 HB2 GLN A 29 -3.548 -8.806 15.317 1.00 62.34 H new ATOM 0 HB3 GLN A 29 -3.436 -8.590 17.052 1.00 62.34 H new ATOM 0 HG2 GLN A 29 -6.021 -9.087 15.520 1.00 70.33 H new ATOM 0 HG3 GLN A 29 -5.099 -10.319 16.358 1.00 70.33 H new ATOM 0 HE21 GLN A 29 -6.739 -10.931 17.766 1.00 13.25 H new ATOM 0 HE22 GLN A 29 -7.335 -9.887 19.060 1.00 13.25 H new ATOM 450 N ILE A 30 -2.281 -6.126 14.776 1.00 34.25 N ATOM 451 CA ILE A 30 -1.010 -5.385 14.579 1.00 23.12 C ATOM 452 C ILE A 30 -1.248 -3.867 14.714 1.00 55.30 C ATOM 453 O ILE A 30 -0.499 -3.173 15.396 1.00 2.25 O ATOM 454 CB ILE A 30 -0.375 -5.668 13.174 1.00 71.14 C ATOM 455 CG1 ILE A 30 -0.218 -7.196 12.931 1.00 73.32 C ATOM 456 CG2 ILE A 30 0.987 -4.941 13.023 1.00 22.13 C ATOM 457 CD1 ILE A 30 0.249 -7.571 11.540 1.00 23.13 C ATOM 0 H ILE A 30 -2.633 -6.580 13.933 1.00 34.25 H new ATOM 0 HA ILE A 30 -0.321 -5.732 15.349 1.00 23.12 H new ATOM 0 HB ILE A 30 -1.052 -5.275 12.416 1.00 71.14 H new ATOM 0 HG12 ILE A 30 0.490 -7.595 13.657 1.00 73.32 H new ATOM 0 HG13 ILE A 30 -1.176 -7.681 13.121 1.00 73.32 H new ATOM 0 HG21 ILE A 30 1.406 -5.154 12.040 1.00 22.13 H new ATOM 0 HG22 ILE A 30 0.840 -3.866 13.130 1.00 22.13 H new ATOM 0 HG23 ILE A 30 1.674 -5.291 13.794 1.00 22.13 H new ATOM 0 HD11 ILE A 30 0.330 -8.655 11.463 1.00 23.13 H new ATOM 0 HD12 ILE A 30 -0.469 -7.208 10.805 1.00 23.13 H new ATOM 0 HD13 ILE A 30 1.223 -7.120 11.349 1.00 23.13 H new ATOM 469 N LYS A 31 -2.318 -3.383 14.052 1.00 42.44 N ATOM 470 CA LYS A 31 -2.732 -1.959 14.076 1.00 10.41 C ATOM 471 C LYS A 31 -2.990 -1.478 15.539 1.00 20.11 C ATOM 472 O LYS A 31 -2.684 -0.345 15.906 1.00 71.35 O ATOM 473 CB LYS A 31 -4.017 -1.777 13.209 1.00 23.12 C ATOM 474 CG LYS A 31 -4.297 -0.326 12.770 1.00 30.31 C ATOM 475 CD LYS A 31 -5.728 -0.095 12.231 1.00 21.44 C ATOM 476 CE LYS A 31 -6.810 -0.238 13.321 1.00 43.31 C ATOM 477 NZ LYS A 31 -8.153 0.146 12.820 1.00 14.14 N ATOM 0 H LYS A 31 -2.926 -3.970 13.481 1.00 42.44 H new ATOM 0 HA LYS A 31 -1.927 -1.352 13.662 1.00 10.41 H new ATOM 0 HB2 LYS A 31 -3.930 -2.401 12.320 1.00 23.12 H new ATOM 0 HB3 LYS A 31 -4.875 -2.144 13.773 1.00 23.12 H new ATOM 0 HG2 LYS A 31 -4.128 0.338 13.618 1.00 30.31 H new ATOM 0 HG3 LYS A 31 -3.580 -0.046 11.998 1.00 30.31 H new ATOM 0 HD2 LYS A 31 -5.790 0.901 11.793 1.00 21.44 H new ATOM 0 HD3 LYS A 31 -5.929 -0.807 11.431 1.00 21.44 H new ATOM 0 HE2 LYS A 31 -6.835 -1.269 13.675 1.00 43.31 H new ATOM 0 HE3 LYS A 31 -6.549 0.386 14.176 1.00 43.31 H new ATOM 0 HZ1 LYS A 31 -8.884 -0.310 13.403 1.00 14.14 H new ATOM 0 HZ2 LYS A 31 -8.261 1.179 12.874 1.00 14.14 H new ATOM 0 HZ3 LYS A 31 -8.256 -0.162 11.832 1.00 14.14 H new ATOM 491 N LYS A 32 -3.527 -2.398 16.356 1.00 42.35 N ATOM 492 CA LYS A 32 -3.796 -2.190 17.793 1.00 51.32 C ATOM 493 C LYS A 32 -2.471 -2.098 18.602 1.00 54.43 C ATOM 494 O LYS A 32 -2.292 -1.193 19.430 1.00 53.25 O ATOM 495 CB LYS A 32 -4.675 -3.367 18.313 1.00 24.42 C ATOM 496 CG LYS A 32 -5.100 -3.274 19.797 1.00 4.54 C ATOM 497 CD LYS A 32 -5.991 -2.047 20.086 1.00 52.14 C ATOM 498 CE LYS A 32 -6.414 -1.937 21.559 1.00 21.23 C ATOM 499 NZ LYS A 32 -7.315 -0.776 21.780 1.00 53.43 N ATOM 0 H LYS A 32 -3.793 -3.328 16.032 1.00 42.35 H new ATOM 0 HA LYS A 32 -4.326 -1.247 17.927 1.00 51.32 H new ATOM 0 HB2 LYS A 32 -5.573 -3.426 17.699 1.00 24.42 H new ATOM 0 HB3 LYS A 32 -4.128 -4.298 18.167 1.00 24.42 H new ATOM 0 HG2 LYS A 32 -5.637 -4.181 20.074 1.00 4.54 H new ATOM 0 HG3 LYS A 32 -4.209 -3.227 20.423 1.00 4.54 H new ATOM 0 HD2 LYS A 32 -5.455 -1.142 19.801 1.00 52.14 H new ATOM 0 HD3 LYS A 32 -6.883 -2.099 19.462 1.00 52.14 H new ATOM 0 HE2 LYS A 32 -6.919 -2.854 21.864 1.00 21.23 H new ATOM 0 HE3 LYS A 32 -5.529 -1.837 22.187 1.00 21.23 H new ATOM 0 HZ1 LYS A 32 -7.582 -0.730 22.784 1.00 53.43 H new ATOM 0 HZ2 LYS A 32 -6.824 0.101 21.512 1.00 53.43 H new ATOM 0 HZ3 LYS A 32 -8.171 -0.885 21.199 1.00 53.43 H new ATOM 513 N ALA A 33 -1.553 -3.052 18.340 1.00 75.33 N ATOM 514 CA ALA A 33 -0.235 -3.145 19.023 1.00 33.51 C ATOM 515 C ALA A 33 0.679 -1.939 18.696 1.00 52.33 C ATOM 516 O ALA A 33 1.479 -1.499 19.528 1.00 24.52 O ATOM 517 CB ALA A 33 0.460 -4.461 18.631 1.00 35.24 C ATOM 0 H ALA A 33 -1.701 -3.785 17.646 1.00 75.33 H new ATOM 0 HA ALA A 33 -0.416 -3.129 20.098 1.00 33.51 H new ATOM 0 HB1 ALA A 33 1.425 -4.526 19.133 1.00 35.24 H new ATOM 0 HB2 ALA A 33 -0.162 -5.304 18.930 1.00 35.24 H new ATOM 0 HB3 ALA A 33 0.610 -4.486 17.552 1.00 35.24 H new ATOM 523 N THR A 34 0.538 -1.416 17.467 1.00 42.24 N ATOM 524 CA THR A 34 1.328 -0.266 16.965 1.00 54.13 C ATOM 525 C THR A 34 0.652 1.090 17.272 1.00 54.43 C ATOM 526 O THR A 34 1.214 2.136 16.944 1.00 40.15 O ATOM 527 CB THR A 34 1.571 -0.390 15.428 1.00 73.24 C ATOM 528 OG1 THR A 34 0.313 -0.442 14.729 1.00 11.14 O ATOM 529 CG2 THR A 34 2.401 -1.641 15.084 1.00 21.42 C ATOM 0 H THR A 34 -0.130 -1.777 16.785 1.00 42.24 H new ATOM 0 HA THR A 34 2.283 -0.292 17.490 1.00 54.13 H new ATOM 0 HB THR A 34 2.132 0.490 15.112 1.00 73.24 H new ATOM 0 HG1 THR A 34 -0.097 -1.323 14.858 1.00 11.14 H new ATOM 0 HG21 THR A 34 2.550 -1.694 14.005 1.00 21.42 H new ATOM 0 HG22 THR A 34 3.369 -1.583 15.581 1.00 21.42 H new ATOM 0 HG23 THR A 34 1.872 -2.533 15.421 1.00 21.42 H new ATOM 537 N LYS A 35 -0.562 1.052 17.891 1.00 42.12 N ATOM 538 CA LYS A 35 -1.315 2.262 18.362 1.00 62.53 C ATOM 539 C LYS A 35 -1.867 3.107 17.177 1.00 34.23 C ATOM 540 O LYS A 35 -2.140 4.308 17.318 1.00 50.42 O ATOM 541 CB LYS A 35 -0.432 3.131 19.315 1.00 61.11 C ATOM 542 CG LYS A 35 0.073 2.388 20.582 1.00 53.00 C ATOM 543 CD LYS A 35 1.260 3.110 21.261 1.00 24.32 C ATOM 544 CE LYS A 35 2.521 3.138 20.372 1.00 51.41 C ATOM 545 NZ LYS A 35 3.628 3.909 20.991 1.00 62.32 N ATOM 0 H LYS A 35 -1.053 0.178 18.081 1.00 42.12 H new ATOM 0 HA LYS A 35 -2.178 1.907 18.926 1.00 62.53 H new ATOM 0 HB2 LYS A 35 0.429 3.498 18.757 1.00 61.11 H new ATOM 0 HB3 LYS A 35 -1.006 4.004 19.626 1.00 61.11 H new ATOM 0 HG2 LYS A 35 -0.746 2.295 21.295 1.00 53.00 H new ATOM 0 HG3 LYS A 35 0.375 1.377 20.309 1.00 53.00 H new ATOM 0 HD2 LYS A 35 0.968 4.132 21.505 1.00 24.32 H new ATOM 0 HD3 LYS A 35 1.494 2.612 22.202 1.00 24.32 H new ATOM 0 HE2 LYS A 35 2.853 2.117 20.183 1.00 51.41 H new ATOM 0 HE3 LYS A 35 2.272 3.576 19.405 1.00 51.41 H new ATOM 0 HZ1 LYS A 35 4.453 3.900 20.358 1.00 62.32 H new ATOM 0 HZ2 LYS A 35 3.322 4.891 21.148 1.00 62.32 H new ATOM 0 HZ3 LYS A 35 3.885 3.477 21.901 1.00 62.32 H new ATOM 559 N LEU A 36 -2.048 2.454 16.020 1.00 51.14 N ATOM 560 CA LEU A 36 -2.659 3.064 14.822 1.00 11.22 C ATOM 561 C LEU A 36 -4.208 2.943 14.897 1.00 50.41 C ATOM 562 O LEU A 36 -4.741 1.874 15.212 1.00 64.30 O ATOM 563 CB LEU A 36 -2.108 2.376 13.540 1.00 50.44 C ATOM 564 CG LEU A 36 -0.565 2.472 13.311 1.00 22.21 C ATOM 565 CD1 LEU A 36 -0.123 1.643 12.077 1.00 75.53 C ATOM 566 CD2 LEU A 36 -0.108 3.945 13.202 1.00 23.14 C ATOM 0 H LEU A 36 -1.774 1.481 15.885 1.00 51.14 H new ATOM 0 HA LEU A 36 -2.401 4.122 14.782 1.00 11.22 H new ATOM 0 HB2 LEU A 36 -2.384 1.322 13.572 1.00 50.44 H new ATOM 0 HB3 LEU A 36 -2.610 2.811 12.676 1.00 50.44 H new ATOM 0 HG LEU A 36 -0.073 2.040 14.182 1.00 22.21 H new ATOM 0 HD11 LEU A 36 0.956 1.732 11.946 1.00 75.53 H new ATOM 0 HD12 LEU A 36 -0.385 0.596 12.229 1.00 75.53 H new ATOM 0 HD13 LEU A 36 -0.628 2.018 11.187 1.00 75.53 H new ATOM 0 HD21 LEU A 36 0.970 3.981 13.043 1.00 23.14 H new ATOM 0 HD22 LEU A 36 -0.615 4.422 12.363 1.00 23.14 H new ATOM 0 HD23 LEU A 36 -0.356 4.472 14.123 1.00 23.14 H new ATOM 578 N LYS A 37 -4.918 4.055 14.638 1.00 64.31 N ATOM 579 CA LYS A 37 -6.402 4.104 14.670 1.00 32.42 C ATOM 580 C LYS A 37 -7.003 3.763 13.283 1.00 22.43 C ATOM 581 O LYS A 37 -7.986 3.015 13.174 1.00 15.51 O ATOM 582 CB LYS A 37 -6.871 5.514 15.128 1.00 52.24 C ATOM 583 CG LYS A 37 -8.395 5.630 15.367 1.00 53.03 C ATOM 584 CD LYS A 37 -8.831 7.040 15.836 1.00 51.22 C ATOM 585 CE LYS A 37 -10.340 7.116 16.142 1.00 74.33 C ATOM 586 NZ LYS A 37 -11.164 6.825 14.940 1.00 61.33 N ATOM 0 H LYS A 37 -4.486 4.948 14.400 1.00 64.31 H new ATOM 0 HA LYS A 37 -6.756 3.357 15.381 1.00 32.42 H new ATOM 0 HB2 LYS A 37 -6.349 5.777 16.048 1.00 52.24 H new ATOM 0 HB3 LYS A 37 -6.576 6.245 14.375 1.00 52.24 H new ATOM 0 HG2 LYS A 37 -8.921 5.381 14.445 1.00 53.03 H new ATOM 0 HG3 LYS A 37 -8.696 4.896 16.114 1.00 53.03 H new ATOM 0 HD2 LYS A 37 -8.268 7.314 16.728 1.00 51.22 H new ATOM 0 HD3 LYS A 37 -8.582 7.770 15.065 1.00 51.22 H new ATOM 0 HE2 LYS A 37 -10.587 6.406 16.932 1.00 74.33 H new ATOM 0 HE3 LYS A 37 -10.585 8.109 16.518 1.00 74.33 H new ATOM 0 HZ1 LYS A 37 -12.168 6.985 15.160 1.00 61.33 H new ATOM 0 HZ2 LYS A 37 -10.876 7.452 14.162 1.00 61.33 H new ATOM 0 HZ3 LYS A 37 -11.026 5.834 14.656 1.00 61.33 H new ATOM 600 N ALA A 38 -6.382 4.316 12.227 1.00 44.44 N ATOM 601 CA ALA A 38 -6.842 4.165 10.830 1.00 51.30 C ATOM 602 C ALA A 38 -6.130 2.989 10.126 1.00 43.41 C ATOM 603 O ALA A 38 -4.930 2.760 10.321 1.00 20.35 O ATOM 604 CB ALA A 38 -6.625 5.471 10.037 1.00 53.03 C ATOM 0 H ALA A 38 -5.540 4.885 12.316 1.00 44.44 H new ATOM 0 HA ALA A 38 -7.909 3.946 10.859 1.00 51.30 H new ATOM 0 HB1 ALA A 38 -6.971 5.336 9.012 1.00 53.03 H new ATOM 0 HB2 ALA A 38 -7.187 6.279 10.506 1.00 53.03 H new ATOM 0 HB3 ALA A 38 -5.564 5.722 10.032 1.00 53.03 H new ATOM 610 N ASP A 39 -6.910 2.269 9.299 1.00 2.24 N ATOM 611 CA ASP A 39 -6.448 1.141 8.451 1.00 2.15 C ATOM 612 C ASP A 39 -5.371 1.588 7.424 1.00 64.44 C ATOM 613 O ASP A 39 -4.481 0.810 7.066 1.00 61.13 O ATOM 614 CB ASP A 39 -7.680 0.511 7.721 1.00 33.41 C ATOM 615 CG ASP A 39 -8.416 1.471 6.745 1.00 22.00 C ATOM 616 OD1 ASP A 39 -8.619 2.663 7.081 1.00 45.42 O ATOM 617 OD2 ASP A 39 -8.790 1.043 5.630 1.00 53.23 O ATOM 0 H ASP A 39 -7.907 2.456 9.195 1.00 2.24 H new ATOM 0 HA ASP A 39 -5.979 0.396 9.094 1.00 2.15 H new ATOM 0 HB2 ASP A 39 -7.347 -0.365 7.165 1.00 33.41 H new ATOM 0 HB3 ASP A 39 -8.390 0.162 8.471 1.00 33.41 H new ATOM 622 N LYS A 40 -5.488 2.853 6.978 1.00 22.33 N ATOM 623 CA LYS A 40 -4.586 3.488 5.980 1.00 35.34 C ATOM 624 C LYS A 40 -3.102 3.465 6.414 1.00 34.21 C ATOM 625 O LYS A 40 -2.218 3.149 5.613 1.00 43.00 O ATOM 626 CB LYS A 40 -5.055 4.947 5.732 1.00 25.22 C ATOM 627 CG LYS A 40 -6.527 5.058 5.272 1.00 72.42 C ATOM 628 CD LYS A 40 -6.786 4.384 3.900 1.00 12.14 C ATOM 629 CE LYS A 40 -8.268 4.434 3.497 1.00 34.14 C ATOM 630 NZ LYS A 40 -9.129 3.622 4.399 1.00 71.01 N ATOM 0 H LYS A 40 -6.224 3.480 7.303 1.00 22.33 H new ATOM 0 HA LYS A 40 -4.646 2.909 5.059 1.00 35.34 H new ATOM 0 HB2 LYS A 40 -4.926 5.521 6.649 1.00 25.22 H new ATOM 0 HB3 LYS A 40 -4.413 5.402 4.978 1.00 25.22 H new ATOM 0 HG2 LYS A 40 -7.172 4.601 6.023 1.00 72.42 H new ATOM 0 HG3 LYS A 40 -6.805 6.110 5.212 1.00 72.42 H new ATOM 0 HD2 LYS A 40 -6.187 4.879 3.136 1.00 12.14 H new ATOM 0 HD3 LYS A 40 -6.457 3.346 3.940 1.00 12.14 H new ATOM 0 HE2 LYS A 40 -8.610 5.469 3.508 1.00 34.14 H new ATOM 0 HE3 LYS A 40 -8.376 4.073 2.474 1.00 34.14 H new ATOM 0 HZ1 LYS A 40 -10.093 3.576 4.011 1.00 71.01 H new ATOM 0 HZ2 LYS A 40 -8.741 2.660 4.476 1.00 71.01 H new ATOM 0 HZ3 LYS A 40 -9.156 4.061 5.341 1.00 71.01 H new ATOM 644 N ASP A 41 -2.857 3.759 7.699 1.00 41.23 N ATOM 645 CA ASP A 41 -1.498 3.777 8.286 1.00 30.10 C ATOM 646 C ASP A 41 -0.883 2.361 8.326 1.00 63.43 C ATOM 647 O ASP A 41 0.331 2.191 8.144 1.00 53.21 O ATOM 648 CB ASP A 41 -1.552 4.392 9.701 1.00 22.53 C ATOM 649 CG ASP A 41 -2.016 5.853 9.675 1.00 35.41 C ATOM 650 OD1 ASP A 41 -3.236 6.096 9.524 1.00 45.25 O ATOM 651 OD2 ASP A 41 -1.170 6.767 9.795 1.00 11.32 O ATOM 0 H ASP A 41 -3.593 3.992 8.366 1.00 41.23 H new ATOM 0 HA ASP A 41 -0.856 4.391 7.654 1.00 30.10 H new ATOM 0 HB2 ASP A 41 -2.229 3.808 10.325 1.00 22.53 H new ATOM 0 HB3 ASP A 41 -0.565 4.333 10.160 1.00 22.53 H new ATOM 656 N PHE A 42 -1.744 1.349 8.541 1.00 62.20 N ATOM 657 CA PHE A 42 -1.336 -0.068 8.487 1.00 70.40 C ATOM 658 C PHE A 42 -0.887 -0.466 7.051 1.00 3.12 C ATOM 659 O PHE A 42 0.089 -1.190 6.891 1.00 1.23 O ATOM 660 CB PHE A 42 -2.484 -0.991 8.983 1.00 65.33 C ATOM 661 CG PHE A 42 -2.142 -2.478 8.910 1.00 44.01 C ATOM 662 CD1 PHE A 42 -1.262 -3.053 9.829 1.00 52.11 C ATOM 663 CD2 PHE A 42 -2.666 -3.296 7.903 1.00 15.30 C ATOM 664 CE1 PHE A 42 -0.926 -4.388 9.746 1.00 22.14 C ATOM 665 CE2 PHE A 42 -2.328 -4.632 7.828 1.00 51.01 C ATOM 666 CZ PHE A 42 -1.455 -5.178 8.747 1.00 54.42 C ATOM 0 H PHE A 42 -2.732 1.487 8.755 1.00 62.20 H new ATOM 0 HA PHE A 42 -0.483 -0.198 9.153 1.00 70.40 H new ATOM 0 HB2 PHE A 42 -2.729 -0.732 10.013 1.00 65.33 H new ATOM 0 HB3 PHE A 42 -3.376 -0.801 8.386 1.00 65.33 H new ATOM 0 HD1 PHE A 42 -0.839 -2.445 10.615 1.00 52.11 H new ATOM 0 HD2 PHE A 42 -3.344 -2.876 7.175 1.00 15.30 H new ATOM 0 HE1 PHE A 42 -0.245 -4.817 10.467 1.00 22.14 H new ATOM 0 HE2 PHE A 42 -2.747 -5.251 7.049 1.00 51.01 H new ATOM 0 HZ PHE A 42 -1.187 -6.222 8.684 1.00 54.42 H new ATOM 676 N PHE A 43 -1.617 0.019 6.019 1.00 11.24 N ATOM 677 CA PHE A 43 -1.287 -0.257 4.589 1.00 32.02 C ATOM 678 C PHE A 43 0.083 0.344 4.173 1.00 41.11 C ATOM 679 O PHE A 43 0.842 -0.295 3.435 1.00 45.33 O ATOM 680 CB PHE A 43 -2.398 0.286 3.649 1.00 61.33 C ATOM 681 CG PHE A 43 -3.773 -0.353 3.841 1.00 11.02 C ATOM 682 CD1 PHE A 43 -3.919 -1.743 3.901 1.00 54.24 C ATOM 683 CD2 PHE A 43 -4.920 0.430 3.954 1.00 62.23 C ATOM 684 CE1 PHE A 43 -5.164 -2.320 4.073 1.00 72.42 C ATOM 685 CE2 PHE A 43 -6.161 -0.147 4.122 1.00 70.10 C ATOM 686 CZ PHE A 43 -6.286 -1.521 4.183 1.00 21.10 C ATOM 0 H PHE A 43 -2.442 0.606 6.145 1.00 11.24 H new ATOM 0 HA PHE A 43 -1.224 -1.341 4.490 1.00 32.02 H new ATOM 0 HB2 PHE A 43 -2.489 1.361 3.801 1.00 61.33 H new ATOM 0 HB3 PHE A 43 -2.085 0.136 2.616 1.00 61.33 H new ATOM 0 HD1 PHE A 43 -3.047 -2.374 3.812 1.00 54.24 H new ATOM 0 HD2 PHE A 43 -4.836 1.506 3.909 1.00 62.23 H new ATOM 0 HE1 PHE A 43 -5.259 -3.395 4.121 1.00 72.42 H new ATOM 0 HE2 PHE A 43 -7.038 0.478 4.206 1.00 70.10 H new ATOM 0 HZ PHE A 43 -7.259 -1.970 4.316 1.00 21.10 H new ATOM 696 N LEU A 44 0.372 1.578 4.642 1.00 25.53 N ATOM 697 CA LEU A 44 1.672 2.264 4.398 1.00 40.11 C ATOM 698 C LEU A 44 2.862 1.467 4.999 1.00 22.11 C ATOM 699 O LEU A 44 3.877 1.245 4.323 1.00 43.04 O ATOM 700 CB LEU A 44 1.641 3.727 4.963 1.00 32.55 C ATOM 701 CG LEU A 44 1.097 4.840 3.998 1.00 34.40 C ATOM 702 CD1 LEU A 44 -0.351 4.569 3.530 1.00 43.43 C ATOM 703 CD2 LEU A 44 1.231 6.245 4.638 1.00 40.20 C ATOM 0 H LEU A 44 -0.282 2.129 5.198 1.00 25.53 H new ATOM 0 HA LEU A 44 1.821 2.312 3.319 1.00 40.11 H new ATOM 0 HB2 LEU A 44 1.031 3.731 5.866 1.00 32.55 H new ATOM 0 HB3 LEU A 44 2.654 3.999 5.261 1.00 32.55 H new ATOM 0 HG LEU A 44 1.719 4.812 3.103 1.00 34.40 H new ATOM 0 HD11 LEU A 44 -0.675 5.370 2.866 1.00 43.43 H new ATOM 0 HD12 LEU A 44 -0.390 3.619 2.998 1.00 43.43 H new ATOM 0 HD13 LEU A 44 -1.011 4.527 4.396 1.00 43.43 H new ATOM 0 HD21 LEU A 44 0.847 6.997 3.949 1.00 40.20 H new ATOM 0 HD22 LEU A 44 0.660 6.278 5.566 1.00 40.20 H new ATOM 0 HD23 LEU A 44 2.280 6.450 4.850 1.00 40.20 H new ATOM 715 N GLY A 45 2.707 1.034 6.267 1.00 41.31 N ATOM 716 CA GLY A 45 3.738 0.243 6.957 1.00 4.12 C ATOM 717 C GLY A 45 3.952 -1.148 6.349 1.00 40.34 C ATOM 718 O GLY A 45 5.073 -1.513 5.992 1.00 55.44 O ATOM 0 H GLY A 45 1.877 1.220 6.831 1.00 41.31 H new ATOM 0 HA2 GLY A 45 4.681 0.790 6.933 1.00 4.12 H new ATOM 0 HA3 GLY A 45 3.459 0.134 8.005 1.00 4.12 H new ATOM 722 N LEU A 46 2.846 -1.899 6.184 1.00 5.50 N ATOM 723 CA LEU A 46 2.859 -3.280 5.633 1.00 31.53 C ATOM 724 C LEU A 46 3.396 -3.320 4.176 1.00 31.34 C ATOM 725 O LEU A 46 4.116 -4.249 3.793 1.00 60.23 O ATOM 726 CB LEU A 46 1.428 -3.892 5.687 1.00 13.34 C ATOM 727 CG LEU A 46 1.268 -5.320 5.070 1.00 21.10 C ATOM 728 CD1 LEU A 46 2.209 -6.330 5.756 1.00 12.41 C ATOM 729 CD2 LEU A 46 -0.207 -5.791 5.101 1.00 4.23 C ATOM 0 H LEU A 46 1.912 -1.569 6.428 1.00 5.50 H new ATOM 0 HA LEU A 46 3.534 -3.872 6.251 1.00 31.53 H new ATOM 0 HB2 LEU A 46 1.110 -3.931 6.729 1.00 13.34 H new ATOM 0 HB3 LEU A 46 0.746 -3.216 5.171 1.00 13.34 H new ATOM 0 HG LEU A 46 1.560 -5.264 4.021 1.00 21.10 H new ATOM 0 HD11 LEU A 46 2.076 -7.314 5.307 1.00 12.41 H new ATOM 0 HD12 LEU A 46 3.243 -6.009 5.628 1.00 12.41 H new ATOM 0 HD13 LEU A 46 1.974 -6.382 6.819 1.00 12.41 H new ATOM 0 HD21 LEU A 46 -0.280 -6.787 4.664 1.00 4.23 H new ATOM 0 HD22 LEU A 46 -0.558 -5.820 6.133 1.00 4.23 H new ATOM 0 HD23 LEU A 46 -0.823 -5.098 4.528 1.00 4.23 H new ATOM 741 N GLY A 47 3.055 -2.285 3.395 1.00 34.51 N ATOM 742 CA GLY A 47 3.488 -2.165 1.990 1.00 11.41 C ATOM 743 C GLY A 47 5.009 -2.078 1.843 1.00 23.41 C ATOM 744 O GLY A 47 5.588 -2.545 0.852 1.00 41.13 O ATOM 0 H GLY A 47 2.474 -1.510 3.715 1.00 34.51 H new ATOM 0 HA2 GLY A 47 3.122 -3.024 1.427 1.00 11.41 H new ATOM 0 HA3 GLY A 47 3.034 -1.278 1.549 1.00 11.41 H new ATOM 748 N TRP A 48 5.655 -1.485 2.859 1.00 34.04 N ATOM 749 CA TRP A 48 7.121 -1.368 2.924 1.00 55.44 C ATOM 750 C TRP A 48 7.776 -2.721 3.355 1.00 71.15 C ATOM 751 O TRP A 48 8.908 -3.024 2.988 1.00 25.31 O ATOM 752 CB TRP A 48 7.513 -0.226 3.898 1.00 62.43 C ATOM 753 CG TRP A 48 8.904 0.295 3.658 1.00 11.11 C ATOM 754 CD1 TRP A 48 10.085 -0.256 4.065 1.00 2.43 C ATOM 755 CD2 TRP A 48 9.244 1.461 2.911 1.00 62.32 C ATOM 756 NE1 TRP A 48 11.131 0.484 3.592 1.00 41.45 N ATOM 757 CE2 TRP A 48 10.641 1.552 2.896 1.00 23.54 C ATOM 758 CE3 TRP A 48 8.493 2.437 2.256 1.00 5.30 C ATOM 759 CZ2 TRP A 48 11.311 2.569 2.242 1.00 71.42 C ATOM 760 CZ3 TRP A 48 9.157 3.455 1.609 1.00 54.33 C ATOM 761 CH2 TRP A 48 10.556 3.518 1.604 1.00 11.23 C ATOM 0 H TRP A 48 5.176 -1.073 3.659 1.00 34.04 H new ATOM 0 HA TRP A 48 7.496 -1.127 1.930 1.00 55.44 H new ATOM 0 HB2 TRP A 48 6.801 0.593 3.796 1.00 62.43 H new ATOM 0 HB3 TRP A 48 7.438 -0.588 4.923 1.00 62.43 H new ATOM 0 HD1 TRP A 48 10.178 -1.145 4.671 1.00 2.43 H new ATOM 0 HE1 TRP A 48 12.119 0.273 3.735 1.00 41.45 H new ATOM 0 HE3 TRP A 48 7.414 2.395 2.256 1.00 5.30 H new ATOM 0 HZ2 TRP A 48 12.390 2.614 2.234 1.00 71.42 H new ATOM 0 HZ3 TRP A 48 8.589 4.218 1.097 1.00 54.33 H new ATOM 0 HH2 TRP A 48 11.049 4.329 1.088 1.00 11.23 H new ATOM 772 N LEU A 49 7.054 -3.522 4.151 1.00 52.23 N ATOM 773 CA LEU A 49 7.482 -4.908 4.513 1.00 2.44 C ATOM 774 C LEU A 49 7.514 -5.826 3.260 1.00 51.43 C ATOM 775 O LEU A 49 8.336 -6.753 3.165 1.00 12.13 O ATOM 776 CB LEU A 49 6.535 -5.494 5.609 1.00 43.23 C ATOM 777 CG LEU A 49 6.823 -5.101 7.097 1.00 12.13 C ATOM 778 CD1 LEU A 49 7.104 -3.616 7.252 1.00 5.24 C ATOM 779 CD2 LEU A 49 5.658 -5.533 8.017 1.00 24.25 C ATOM 0 H LEU A 49 6.164 -3.245 4.565 1.00 52.23 H new ATOM 0 HA LEU A 49 8.494 -4.863 4.916 1.00 2.44 H new ATOM 0 HB2 LEU A 49 5.516 -5.189 5.371 1.00 43.23 H new ATOM 0 HB3 LEU A 49 6.567 -6.581 5.536 1.00 43.23 H new ATOM 0 HG LEU A 49 7.723 -5.636 7.400 1.00 12.13 H new ATOM 0 HD11 LEU A 49 7.298 -3.390 8.300 1.00 5.24 H new ATOM 0 HD12 LEU A 49 7.975 -3.346 6.655 1.00 5.24 H new ATOM 0 HD13 LEU A 49 6.240 -3.045 6.912 1.00 5.24 H new ATOM 0 HD21 LEU A 49 5.882 -5.249 9.045 1.00 24.25 H new ATOM 0 HD22 LEU A 49 4.740 -5.041 7.696 1.00 24.25 H new ATOM 0 HD23 LEU A 49 5.530 -6.614 7.959 1.00 24.25 H new ATOM 791 N LEU A 50 6.611 -5.532 2.313 1.00 0.22 N ATOM 792 CA LEU A 50 6.491 -6.258 1.035 1.00 50.45 C ATOM 793 C LEU A 50 7.660 -5.952 0.053 1.00 43.13 C ATOM 794 O LEU A 50 8.059 -6.840 -0.702 1.00 75.44 O ATOM 795 CB LEU A 50 5.126 -5.927 0.370 1.00 62.55 C ATOM 796 CG LEU A 50 3.845 -6.297 1.189 1.00 11.20 C ATOM 797 CD1 LEU A 50 2.552 -5.914 0.425 1.00 51.35 C ATOM 798 CD2 LEU A 50 3.850 -7.791 1.598 1.00 73.24 C ATOM 0 H LEU A 50 5.935 -4.775 2.412 1.00 0.22 H new ATOM 0 HA LEU A 50 6.546 -7.323 1.262 1.00 50.45 H new ATOM 0 HB2 LEU A 50 5.099 -4.858 0.159 1.00 62.55 H new ATOM 0 HB3 LEU A 50 5.079 -6.443 -0.589 1.00 62.55 H new ATOM 0 HG LEU A 50 3.860 -5.710 2.107 1.00 11.20 H new ATOM 0 HD11 LEU A 50 1.682 -6.185 1.023 1.00 51.35 H new ATOM 0 HD12 LEU A 50 2.544 -4.840 0.239 1.00 51.35 H new ATOM 0 HD13 LEU A 50 2.519 -6.447 -0.525 1.00 51.35 H new ATOM 0 HD21 LEU A 50 2.947 -8.016 2.165 1.00 73.24 H new ATOM 0 HD22 LEU A 50 3.881 -8.413 0.703 1.00 73.24 H new ATOM 0 HD23 LEU A 50 4.726 -7.997 2.213 1.00 73.24 H new ATOM 810 N ARG A 51 8.182 -4.688 0.035 1.00 52.53 N ATOM 811 CA ARG A 51 9.284 -4.293 -0.906 1.00 52.03 C ATOM 812 C ARG A 51 10.588 -5.100 -0.710 1.00 4.34 C ATOM 813 O ARG A 51 11.378 -5.248 -1.653 1.00 52.43 O ATOM 814 CB ARG A 51 9.599 -2.763 -0.866 1.00 3.40 C ATOM 815 CG ARG A 51 10.295 -2.218 0.407 1.00 33.14 C ATOM 816 CD ARG A 51 10.874 -0.807 0.213 1.00 11.23 C ATOM 817 NE ARG A 51 11.965 -0.798 -0.775 1.00 62.11 N ATOM 818 CZ ARG A 51 12.307 0.215 -1.537 1.00 22.13 C ATOM 819 NH1 ARG A 51 11.702 1.362 -1.456 1.00 12.33 N ATOM 820 NH2 ARG A 51 13.278 0.071 -2.371 1.00 1.22 N ATOM 0 H ARG A 51 7.866 -3.936 0.648 1.00 52.53 H new ATOM 0 HA ARG A 51 8.890 -4.539 -1.892 1.00 52.03 H new ATOM 0 HB2 ARG A 51 10.228 -2.525 -1.724 1.00 3.40 H new ATOM 0 HB3 ARG A 51 8.662 -2.221 -0.997 1.00 3.40 H new ATOM 0 HG2 ARG A 51 9.579 -2.202 1.228 1.00 33.14 H new ATOM 0 HG3 ARG A 51 11.096 -2.898 0.696 1.00 33.14 H new ATOM 0 HD2 ARG A 51 10.083 -0.131 -0.112 1.00 11.23 H new ATOM 0 HD3 ARG A 51 11.244 -0.431 1.167 1.00 11.23 H new ATOM 0 HE ARG A 51 12.505 -1.657 -0.877 1.00 62.11 H new ATOM 0 HH11 ARG A 51 10.942 1.492 -0.789 1.00 12.33 H new ATOM 0 HH12 ARG A 51 11.987 2.133 -2.060 1.00 12.33 H new ATOM 0 HH21 ARG A 51 13.769 -0.821 -2.433 1.00 1.22 H new ATOM 0 HH22 ARG A 51 13.556 0.849 -2.970 1.00 1.22 H new ATOM 834 N GLU A 52 10.812 -5.596 0.517 1.00 1.41 N ATOM 835 CA GLU A 52 12.001 -6.406 0.860 1.00 23.41 C ATOM 836 C GLU A 52 11.635 -7.884 1.110 1.00 34.01 C ATOM 837 O GLU A 52 12.537 -8.718 1.271 1.00 71.44 O ATOM 838 CB GLU A 52 12.714 -5.796 2.101 1.00 74.44 C ATOM 839 CG GLU A 52 13.171 -4.333 1.899 1.00 60.12 C ATOM 840 CD GLU A 52 13.927 -3.750 3.101 1.00 4.15 C ATOM 841 OE1 GLU A 52 15.077 -4.170 3.341 1.00 13.31 O ATOM 842 OE2 GLU A 52 13.376 -2.872 3.810 1.00 52.23 O ATOM 0 H GLU A 52 10.177 -5.449 1.302 1.00 1.41 H new ATOM 0 HA GLU A 52 12.682 -6.385 0.009 1.00 23.41 H new ATOM 0 HB2 GLU A 52 12.039 -5.842 2.956 1.00 74.44 H new ATOM 0 HB3 GLU A 52 13.582 -6.408 2.347 1.00 74.44 H new ATOM 0 HG2 GLU A 52 13.811 -4.280 1.018 1.00 60.12 H new ATOM 0 HG3 GLU A 52 12.297 -3.714 1.696 1.00 60.12 H new ATOM 849 N ASP A 53 10.307 -8.189 1.178 1.00 2.22 N ATOM 850 CA ASP A 53 9.780 -9.567 1.384 1.00 70.22 C ATOM 851 C ASP A 53 10.238 -10.153 2.738 1.00 53.24 C ATOM 852 O ASP A 53 10.441 -11.369 2.879 1.00 33.45 O ATOM 853 CB ASP A 53 10.144 -10.481 0.185 1.00 44.43 C ATOM 854 CG ASP A 53 9.502 -9.991 -1.127 1.00 65.00 C ATOM 855 OD1 ASP A 53 8.295 -10.255 -1.340 1.00 63.21 O ATOM 856 OD2 ASP A 53 10.197 -9.339 -1.941 1.00 40.14 O ATOM 0 H ASP A 53 9.574 -7.485 1.091 1.00 2.22 H new ATOM 0 HA ASP A 53 8.692 -9.513 1.427 1.00 70.22 H new ATOM 0 HB2 ASP A 53 11.227 -10.513 0.069 1.00 44.43 H new ATOM 0 HB3 ASP A 53 9.815 -11.499 0.392 1.00 44.43 H new ATOM 861 N LYS A 54 10.326 -9.265 3.748 1.00 25.00 N ATOM 862 CA LYS A 54 10.688 -9.634 5.136 1.00 62.24 C ATOM 863 C LYS A 54 9.489 -10.271 5.878 1.00 51.52 C ATOM 864 O LYS A 54 9.630 -10.754 7.007 1.00 52.35 O ATOM 865 CB LYS A 54 11.194 -8.376 5.892 1.00 10.13 C ATOM 866 CG LYS A 54 10.149 -7.233 6.022 1.00 63.55 C ATOM 867 CD LYS A 54 10.746 -5.930 6.609 1.00 54.43 C ATOM 868 CE LYS A 54 11.835 -5.321 5.706 1.00 32.52 C ATOM 869 NZ LYS A 54 12.492 -4.139 6.315 1.00 71.00 N ATOM 0 H LYS A 54 10.148 -8.268 3.626 1.00 25.00 H new ATOM 0 HA LYS A 54 11.484 -10.378 5.102 1.00 62.24 H new ATOM 0 HB2 LYS A 54 11.514 -8.673 6.891 1.00 10.13 H new ATOM 0 HB3 LYS A 54 12.074 -7.989 5.378 1.00 10.13 H new ATOM 0 HG2 LYS A 54 9.726 -7.022 5.040 1.00 63.55 H new ATOM 0 HG3 LYS A 54 9.329 -7.569 6.657 1.00 63.55 H new ATOM 0 HD2 LYS A 54 9.948 -5.201 6.753 1.00 54.43 H new ATOM 0 HD3 LYS A 54 11.168 -6.138 7.592 1.00 54.43 H new ATOM 0 HE2 LYS A 54 12.588 -6.079 5.491 1.00 32.52 H new ATOM 0 HE3 LYS A 54 11.391 -5.033 4.753 1.00 32.52 H new ATOM 0 HZ1 LYS A 54 12.879 -3.532 5.565 1.00 71.00 H new ATOM 0 HZ2 LYS A 54 11.795 -3.602 6.870 1.00 71.00 H new ATOM 0 HZ3 LYS A 54 13.263 -4.453 6.938 1.00 71.00 H new ATOM 883 N VAL A 55 8.310 -10.262 5.225 1.00 70.20 N ATOM 884 CA VAL A 55 7.071 -10.872 5.746 1.00 11.22 C ATOM 885 C VAL A 55 6.381 -11.736 4.668 1.00 33.43 C ATOM 886 O VAL A 55 6.656 -11.609 3.465 1.00 63.22 O ATOM 887 CB VAL A 55 6.044 -9.791 6.255 1.00 3.53 C ATOM 888 CG1 VAL A 55 6.612 -8.985 7.446 1.00 71.40 C ATOM 889 CG2 VAL A 55 5.578 -8.872 5.092 1.00 71.32 C ATOM 0 H VAL A 55 8.190 -9.826 4.311 1.00 70.20 H new ATOM 0 HA VAL A 55 7.371 -11.496 6.588 1.00 11.22 H new ATOM 0 HB VAL A 55 5.162 -10.314 6.624 1.00 3.53 H new ATOM 0 HG11 VAL A 55 5.877 -8.249 7.771 1.00 71.40 H new ATOM 0 HG12 VAL A 55 6.836 -9.662 8.270 1.00 71.40 H new ATOM 0 HG13 VAL A 55 7.525 -8.475 7.138 1.00 71.40 H new ATOM 0 HG21 VAL A 55 4.870 -8.135 5.472 1.00 71.32 H new ATOM 0 HG22 VAL A 55 6.440 -8.360 4.665 1.00 71.32 H new ATOM 0 HG23 VAL A 55 5.096 -9.475 4.322 1.00 71.32 H new ATOM 899 N VAL A 56 5.482 -12.620 5.126 1.00 23.12 N ATOM 900 CA VAL A 56 4.566 -13.386 4.265 1.00 2.25 C ATOM 901 C VAL A 56 3.090 -13.018 4.572 1.00 30.21 C ATOM 902 O VAL A 56 2.656 -13.015 5.731 1.00 73.34 O ATOM 903 CB VAL A 56 4.809 -14.948 4.374 1.00 74.14 C ATOM 904 CG1 VAL A 56 6.162 -15.347 3.721 1.00 23.15 C ATOM 905 CG2 VAL A 56 4.748 -15.434 5.846 1.00 74.02 C ATOM 0 H VAL A 56 5.369 -12.826 6.118 1.00 23.12 H new ATOM 0 HA VAL A 56 4.779 -13.109 3.232 1.00 2.25 H new ATOM 0 HB VAL A 56 4.005 -15.441 3.828 1.00 74.14 H new ATOM 0 HG11 VAL A 56 6.305 -16.424 3.809 1.00 23.15 H new ATOM 0 HG12 VAL A 56 6.154 -15.067 2.668 1.00 23.15 H new ATOM 0 HG13 VAL A 56 6.977 -14.830 4.228 1.00 23.15 H new ATOM 0 HG21 VAL A 56 4.919 -16.510 5.881 1.00 74.02 H new ATOM 0 HG22 VAL A 56 5.515 -14.925 6.429 1.00 74.02 H new ATOM 0 HG23 VAL A 56 3.766 -15.209 6.263 1.00 74.02 H new ATOM 915 N THR A 57 2.350 -12.667 3.505 1.00 33.32 N ATOM 916 CA THR A 57 0.919 -12.305 3.561 1.00 14.21 C ATOM 917 C THR A 57 0.057 -13.453 2.984 1.00 0.23 C ATOM 918 O THR A 57 0.353 -13.996 1.916 1.00 41.13 O ATOM 919 CB THR A 57 0.633 -10.983 2.762 1.00 4.21 C ATOM 920 OG1 THR A 57 1.179 -11.075 1.428 1.00 1.04 O ATOM 921 CG2 THR A 57 1.210 -9.738 3.462 1.00 63.13 C ATOM 0 H THR A 57 2.735 -12.626 2.561 1.00 33.32 H new ATOM 0 HA THR A 57 0.658 -12.140 4.606 1.00 14.21 H new ATOM 0 HB THR A 57 -0.450 -10.871 2.716 1.00 4.21 H new ATOM 0 HG1 THR A 57 1.284 -10.175 1.055 1.00 1.04 H new ATOM 0 HG21 THR A 57 0.985 -8.851 2.870 1.00 63.13 H new ATOM 0 HG22 THR A 57 0.763 -9.637 4.451 1.00 63.13 H new ATOM 0 HG23 THR A 57 2.290 -9.844 3.561 1.00 63.13 H new ATOM 929 N SER A 58 -1.017 -13.798 3.700 1.00 35.11 N ATOM 930 CA SER A 58 -1.944 -14.893 3.343 1.00 41.41 C ATOM 931 C SER A 58 -3.381 -14.354 3.234 1.00 23.31 C ATOM 932 O SER A 58 -3.763 -13.416 3.949 1.00 42.41 O ATOM 933 CB SER A 58 -1.884 -16.021 4.406 1.00 54.02 C ATOM 934 OG SER A 58 -2.756 -17.098 4.082 1.00 54.43 O ATOM 0 H SER A 58 -1.278 -13.319 4.562 1.00 35.11 H new ATOM 0 HA SER A 58 -1.642 -15.303 2.379 1.00 41.41 H new ATOM 0 HB2 SER A 58 -0.862 -16.392 4.486 1.00 54.02 H new ATOM 0 HB3 SER A 58 -2.153 -15.616 5.382 1.00 54.02 H new ATOM 0 HG SER A 58 -2.691 -17.791 4.772 1.00 54.43 H new ATOM 940 N GLU A 59 -4.172 -14.969 2.342 1.00 12.42 N ATOM 941 CA GLU A 59 -5.581 -14.600 2.121 1.00 65.13 C ATOM 942 C GLU A 59 -6.474 -15.558 2.936 1.00 24.53 C ATOM 943 O GLU A 59 -6.699 -16.710 2.538 1.00 51.30 O ATOM 944 CB GLU A 59 -5.908 -14.688 0.603 1.00 23.04 C ATOM 945 CG GLU A 59 -7.335 -14.256 0.223 1.00 55.13 C ATOM 946 CD GLU A 59 -7.654 -14.484 -1.264 1.00 50.40 C ATOM 947 OE1 GLU A 59 -7.968 -15.640 -1.640 1.00 73.04 O ATOM 948 OE2 GLU A 59 -7.583 -13.527 -2.060 1.00 4.43 O ATOM 0 H GLU A 59 -3.853 -15.738 1.752 1.00 12.42 H new ATOM 0 HA GLU A 59 -5.765 -13.577 2.449 1.00 65.13 H new ATOM 0 HB2 GLU A 59 -5.198 -14.067 0.056 1.00 23.04 H new ATOM 0 HB3 GLU A 59 -5.754 -15.715 0.272 1.00 23.04 H new ATOM 0 HG2 GLU A 59 -8.051 -14.809 0.832 1.00 55.13 H new ATOM 0 HG3 GLU A 59 -7.464 -13.200 0.459 1.00 55.13 H new ATOM 955 N VAL A 60 -6.961 -15.075 4.093 1.00 2.15 N ATOM 956 CA VAL A 60 -7.742 -15.889 5.056 1.00 1.50 C ATOM 957 C VAL A 60 -9.125 -15.250 5.295 1.00 10.22 C ATOM 958 O VAL A 60 -9.228 -14.178 5.907 1.00 32.45 O ATOM 959 CB VAL A 60 -6.977 -16.066 6.432 1.00 14.04 C ATOM 960 CG1 VAL A 60 -7.839 -16.824 7.484 1.00 63.23 C ATOM 961 CG2 VAL A 60 -5.621 -16.780 6.217 1.00 3.44 C ATOM 0 H VAL A 60 -6.827 -14.109 4.392 1.00 2.15 H new ATOM 0 HA VAL A 60 -7.873 -16.880 4.621 1.00 1.50 H new ATOM 0 HB VAL A 60 -6.786 -15.068 6.828 1.00 14.04 H new ATOM 0 HG11 VAL A 60 -7.276 -16.923 8.412 1.00 63.23 H new ATOM 0 HG12 VAL A 60 -8.756 -16.266 7.674 1.00 63.23 H new ATOM 0 HG13 VAL A 60 -8.089 -17.814 7.104 1.00 63.23 H new ATOM 0 HG21 VAL A 60 -5.112 -16.891 7.175 1.00 3.44 H new ATOM 0 HG22 VAL A 60 -5.793 -17.764 5.781 1.00 3.44 H new ATOM 0 HG23 VAL A 60 -5.001 -16.188 5.544 1.00 3.44 H new ATOM 971 N GLU A 61 -10.174 -15.943 4.803 1.00 33.33 N ATOM 972 CA GLU A 61 -11.600 -15.560 4.971 1.00 41.45 C ATOM 973 C GLU A 61 -11.898 -14.139 4.399 1.00 73.12 C ATOM 974 O GLU A 61 -12.731 -13.393 4.936 1.00 50.31 O ATOM 975 CB GLU A 61 -12.013 -15.705 6.472 1.00 12.32 C ATOM 976 CG GLU A 61 -11.576 -17.044 7.115 1.00 75.44 C ATOM 977 CD GLU A 61 -12.123 -17.259 8.534 1.00 71.31 C ATOM 978 OE1 GLU A 61 -13.279 -17.708 8.672 1.00 63.14 O ATOM 979 OE2 GLU A 61 -11.398 -16.994 9.521 1.00 73.31 O ATOM 0 H GLU A 61 -10.055 -16.802 4.266 1.00 33.33 H new ATOM 0 HA GLU A 61 -12.215 -16.243 4.385 1.00 41.45 H new ATOM 0 HB2 GLU A 61 -11.579 -14.882 7.039 1.00 12.32 H new ATOM 0 HB3 GLU A 61 -13.096 -15.611 6.552 1.00 12.32 H new ATOM 0 HG2 GLU A 61 -11.907 -17.866 6.480 1.00 75.44 H new ATOM 0 HG3 GLU A 61 -10.487 -17.083 7.146 1.00 75.44 H new ATOM 986 N GLY A 62 -11.210 -13.794 3.284 1.00 11.23 N ATOM 987 CA GLY A 62 -11.322 -12.469 2.638 1.00 22.12 C ATOM 988 C GLY A 62 -10.373 -11.400 3.219 1.00 15.30 C ATOM 989 O GLY A 62 -10.171 -10.344 2.612 1.00 13.34 O ATOM 0 H GLY A 62 -10.564 -14.426 2.810 1.00 11.23 H new ATOM 0 HA2 GLY A 62 -11.119 -12.578 1.573 1.00 22.12 H new ATOM 0 HA3 GLY A 62 -12.349 -12.117 2.732 1.00 22.12 H new ATOM 993 N GLU A 63 -9.781 -11.689 4.386 1.00 54.34 N ATOM 994 CA GLU A 63 -8.992 -10.711 5.175 1.00 14.31 C ATOM 995 C GLU A 63 -7.464 -10.872 4.938 1.00 25.34 C ATOM 996 O GLU A 63 -6.988 -11.956 4.574 1.00 13.44 O ATOM 997 CB GLU A 63 -9.312 -10.906 6.683 1.00 22.30 C ATOM 998 CG GLU A 63 -8.821 -9.773 7.599 1.00 2.34 C ATOM 999 CD GLU A 63 -9.097 -10.054 9.081 1.00 44.31 C ATOM 1000 OE1 GLU A 63 -10.268 -9.967 9.508 1.00 32.42 O ATOM 1001 OE2 GLU A 63 -8.155 -10.391 9.817 1.00 14.34 O ATOM 0 H GLU A 63 -9.832 -12.611 4.819 1.00 54.34 H new ATOM 0 HA GLU A 63 -9.269 -9.708 4.852 1.00 14.31 H new ATOM 0 HB2 GLU A 63 -10.391 -11.007 6.801 1.00 22.30 H new ATOM 0 HB3 GLU A 63 -8.866 -11.843 7.016 1.00 22.30 H new ATOM 0 HG2 GLU A 63 -7.750 -9.630 7.453 1.00 2.34 H new ATOM 0 HG3 GLU A 63 -9.309 -8.841 7.312 1.00 2.34 H new ATOM 1008 N ILE A 64 -6.711 -9.778 5.163 1.00 21.02 N ATOM 1009 CA ILE A 64 -5.239 -9.777 5.093 1.00 43.55 C ATOM 1010 C ILE A 64 -4.631 -10.231 6.451 1.00 44.41 C ATOM 1011 O ILE A 64 -4.742 -9.526 7.464 1.00 42.14 O ATOM 1012 CB ILE A 64 -4.693 -8.344 4.716 1.00 61.55 C ATOM 1013 CG1 ILE A 64 -5.366 -7.830 3.397 1.00 74.35 C ATOM 1014 CG2 ILE A 64 -3.141 -8.337 4.598 1.00 4.51 C ATOM 1015 CD1 ILE A 64 -4.993 -6.404 2.993 1.00 54.20 C ATOM 0 H ILE A 64 -7.108 -8.869 5.399 1.00 21.02 H new ATOM 0 HA ILE A 64 -4.940 -10.479 4.315 1.00 43.55 H new ATOM 0 HB ILE A 64 -4.957 -7.660 5.523 1.00 61.55 H new ATOM 0 HG12 ILE A 64 -5.097 -8.504 2.584 1.00 74.35 H new ATOM 0 HG13 ILE A 64 -6.448 -7.887 3.513 1.00 74.35 H new ATOM 0 HG21 ILE A 64 -2.800 -7.335 4.337 1.00 4.51 H new ATOM 0 HG22 ILE A 64 -2.702 -8.633 5.551 1.00 4.51 H new ATOM 0 HG23 ILE A 64 -2.832 -9.038 3.823 1.00 4.51 H new ATOM 0 HD11 ILE A 64 -5.508 -6.141 2.069 1.00 54.20 H new ATOM 0 HD12 ILE A 64 -5.288 -5.713 3.783 1.00 54.20 H new ATOM 0 HD13 ILE A 64 -3.916 -6.340 2.838 1.00 54.20 H new ATOM 1027 N PHE A 65 -4.017 -11.423 6.455 1.00 54.53 N ATOM 1028 CA PHE A 65 -3.220 -11.943 7.591 1.00 52.51 C ATOM 1029 C PHE A 65 -1.725 -11.868 7.219 1.00 71.44 C ATOM 1030 O PHE A 65 -1.352 -12.266 6.120 1.00 60.31 O ATOM 1031 CB PHE A 65 -3.630 -13.414 7.909 1.00 64.03 C ATOM 1032 CG PHE A 65 -2.830 -14.063 9.051 1.00 2.13 C ATOM 1033 CD1 PHE A 65 -3.167 -13.824 10.383 1.00 11.23 C ATOM 1034 CD2 PHE A 65 -1.727 -14.890 8.791 1.00 41.04 C ATOM 1035 CE1 PHE A 65 -2.437 -14.391 11.416 1.00 41.33 C ATOM 1036 CE2 PHE A 65 -0.997 -15.450 9.826 1.00 32.22 C ATOM 1037 CZ PHE A 65 -1.352 -15.200 11.138 1.00 14.21 C ATOM 0 H PHE A 65 -4.056 -12.065 5.664 1.00 54.53 H new ATOM 0 HA PHE A 65 -3.407 -11.341 8.481 1.00 52.51 H new ATOM 0 HB2 PHE A 65 -4.689 -13.436 8.165 1.00 64.03 H new ATOM 0 HB3 PHE A 65 -3.508 -14.015 7.008 1.00 64.03 H new ATOM 0 HD1 PHE A 65 -4.009 -13.188 10.613 1.00 11.23 H new ATOM 0 HD2 PHE A 65 -1.443 -15.093 7.769 1.00 41.04 H new ATOM 0 HE1 PHE A 65 -2.717 -14.200 12.441 1.00 41.33 H new ATOM 0 HE2 PHE A 65 -0.149 -16.083 9.608 1.00 32.22 H new ATOM 0 HZ PHE A 65 -0.782 -15.636 11.945 1.00 14.21 H new ATOM 1047 N VAL A 66 -0.871 -11.363 8.120 1.00 21.51 N ATOM 1048 CA VAL A 66 0.584 -11.236 7.844 1.00 74.35 C ATOM 1049 C VAL A 66 1.456 -11.612 9.072 1.00 3.31 C ATOM 1050 O VAL A 66 1.045 -11.444 10.227 1.00 63.31 O ATOM 1051 CB VAL A 66 0.936 -9.796 7.301 1.00 5.52 C ATOM 1052 CG1 VAL A 66 0.451 -8.690 8.260 1.00 32.54 C ATOM 1053 CG2 VAL A 66 2.449 -9.658 6.985 1.00 23.25 C ATOM 0 H VAL A 66 -1.151 -11.035 9.044 1.00 21.51 H new ATOM 0 HA VAL A 66 0.824 -11.957 7.063 1.00 74.35 H new ATOM 0 HB VAL A 66 0.397 -9.665 6.362 1.00 5.52 H new ATOM 0 HG11 VAL A 66 0.712 -7.714 7.851 1.00 32.54 H new ATOM 0 HG12 VAL A 66 -0.631 -8.757 8.376 1.00 32.54 H new ATOM 0 HG13 VAL A 66 0.929 -8.816 9.232 1.00 32.54 H new ATOM 0 HG21 VAL A 66 2.653 -8.654 6.614 1.00 23.25 H new ATOM 0 HG22 VAL A 66 3.028 -9.834 7.892 1.00 23.25 H new ATOM 0 HG23 VAL A 66 2.731 -10.389 6.227 1.00 23.25 H new ATOM 1063 N LYS A 67 2.667 -12.141 8.787 1.00 53.51 N ATOM 1064 CA LYS A 67 3.672 -12.517 9.808 1.00 23.13 C ATOM 1065 C LYS A 67 5.083 -12.474 9.189 1.00 64.31 C ATOM 1066 O LYS A 67 5.203 -12.362 7.979 1.00 73.02 O ATOM 1067 CB LYS A 67 3.354 -13.935 10.338 1.00 34.02 C ATOM 1068 CG LYS A 67 3.388 -15.035 9.264 1.00 3.33 C ATOM 1069 CD LYS A 67 2.949 -16.411 9.799 1.00 1.24 C ATOM 1070 CE LYS A 67 3.173 -17.520 8.769 1.00 75.22 C ATOM 1071 NZ LYS A 67 4.607 -17.632 8.408 1.00 22.10 N ATOM 0 H LYS A 67 2.978 -12.321 7.832 1.00 53.51 H new ATOM 0 HA LYS A 67 3.637 -11.812 10.639 1.00 23.13 H new ATOM 0 HB2 LYS A 67 4.069 -14.186 11.121 1.00 34.02 H new ATOM 0 HB3 LYS A 67 2.367 -13.925 10.799 1.00 34.02 H new ATOM 0 HG2 LYS A 67 2.738 -14.748 8.437 1.00 3.33 H new ATOM 0 HG3 LYS A 67 4.399 -15.113 8.863 1.00 3.33 H new ATOM 0 HD2 LYS A 67 3.505 -16.642 10.708 1.00 1.24 H new ATOM 0 HD3 LYS A 67 1.894 -16.375 10.071 1.00 1.24 H new ATOM 0 HE2 LYS A 67 2.821 -18.470 9.171 1.00 75.22 H new ATOM 0 HE3 LYS A 67 2.585 -17.314 7.875 1.00 75.22 H new ATOM 0 HZ1 LYS A 67 4.766 -18.518 7.887 1.00 22.10 H new ATOM 0 HZ2 LYS A 67 4.879 -16.825 7.810 1.00 22.10 H new ATOM 0 HZ3 LYS A 67 5.184 -17.631 9.273 1.00 22.10 H new ATOM 1085 N LEU A 68 6.147 -12.581 10.007 1.00 43.55 N ATOM 1086 CA LEU A 68 7.532 -12.687 9.476 1.00 12.44 C ATOM 1087 C LEU A 68 7.758 -14.035 8.741 1.00 71.53 C ATOM 1088 O LEU A 68 7.015 -15.012 8.950 1.00 53.01 O ATOM 1089 CB LEU A 68 8.593 -12.533 10.605 1.00 30.21 C ATOM 1090 CG LEU A 68 8.651 -11.161 11.348 1.00 0.42 C ATOM 1091 CD1 LEU A 68 9.860 -11.107 12.310 1.00 31.21 C ATOM 1092 CD2 LEU A 68 8.665 -9.976 10.360 1.00 0.15 C ATOM 0 H LEU A 68 6.084 -12.597 11.025 1.00 43.55 H new ATOM 0 HA LEU A 68 7.654 -11.870 8.764 1.00 12.44 H new ATOM 0 HB2 LEU A 68 8.412 -13.311 11.347 1.00 30.21 H new ATOM 0 HB3 LEU A 68 9.575 -12.725 10.174 1.00 30.21 H new ATOM 0 HG LEU A 68 7.742 -11.070 11.943 1.00 0.42 H new ATOM 0 HD11 LEU A 68 9.879 -10.142 12.816 1.00 31.21 H new ATOM 0 HD12 LEU A 68 9.772 -11.903 13.050 1.00 31.21 H new ATOM 0 HD13 LEU A 68 10.782 -11.238 11.743 1.00 31.21 H new ATOM 0 HD21 LEU A 68 8.706 -9.039 10.916 1.00 0.15 H new ATOM 0 HD22 LEU A 68 9.539 -10.052 9.713 1.00 0.15 H new ATOM 0 HD23 LEU A 68 7.760 -9.998 9.752 1.00 0.15 H new ATOM 1104 N VAL A 69 8.799 -14.075 7.890 1.00 54.52 N ATOM 1105 CA VAL A 69 9.211 -15.305 7.179 1.00 5.31 C ATOM 1106 C VAL A 69 10.029 -16.206 8.148 1.00 21.11 C ATOM 1107 O VAL A 69 11.264 -16.231 8.121 1.00 74.22 O ATOM 1108 CB VAL A 69 10.039 -14.967 5.870 1.00 3.41 C ATOM 1109 CG1 VAL A 69 10.263 -16.217 4.977 1.00 75.31 C ATOM 1110 CG2 VAL A 69 9.372 -13.829 5.064 1.00 53.23 C ATOM 0 H VAL A 69 9.377 -13.263 7.675 1.00 54.52 H new ATOM 0 HA VAL A 69 8.320 -15.844 6.857 1.00 5.31 H new ATOM 0 HB VAL A 69 11.020 -14.625 6.198 1.00 3.41 H new ATOM 0 HG11 VAL A 69 10.835 -15.935 4.093 1.00 75.31 H new ATOM 0 HG12 VAL A 69 10.813 -16.972 5.539 1.00 75.31 H new ATOM 0 HG13 VAL A 69 9.299 -16.623 4.671 1.00 75.31 H new ATOM 0 HG21 VAL A 69 9.963 -13.620 4.172 1.00 53.23 H new ATOM 0 HG22 VAL A 69 8.367 -14.132 4.770 1.00 53.23 H new ATOM 0 HG23 VAL A 69 9.315 -12.932 5.680 1.00 53.23 H new ATOM 1120 N LEU A 70 9.305 -16.892 9.060 1.00 22.52 N ATOM 1121 CA LEU A 70 9.894 -17.764 10.115 1.00 4.35 C ATOM 1122 C LEU A 70 9.620 -19.261 9.804 1.00 12.32 C ATOM 1123 O LEU A 70 9.537 -20.101 10.713 1.00 11.35 O ATOM 1124 CB LEU A 70 9.313 -17.362 11.509 1.00 63.44 C ATOM 1125 CG LEU A 70 9.604 -15.898 11.979 1.00 55.22 C ATOM 1126 CD1 LEU A 70 8.928 -15.593 13.341 1.00 64.43 C ATOM 1127 CD2 LEU A 70 11.127 -15.610 12.018 1.00 42.01 C ATOM 0 H LEU A 70 8.286 -16.859 9.089 1.00 22.52 H new ATOM 0 HA LEU A 70 10.975 -17.625 10.134 1.00 4.35 H new ATOM 0 HB2 LEU A 70 8.233 -17.507 11.485 1.00 63.44 H new ATOM 0 HB3 LEU A 70 9.710 -18.048 12.257 1.00 63.44 H new ATOM 0 HG LEU A 70 9.165 -15.224 11.244 1.00 55.22 H new ATOM 0 HD11 LEU A 70 9.151 -14.568 13.637 1.00 64.43 H new ATOM 0 HD12 LEU A 70 7.849 -15.717 13.248 1.00 64.43 H new ATOM 0 HD13 LEU A 70 9.308 -16.280 14.098 1.00 64.43 H new ATOM 0 HD21 LEU A 70 11.295 -14.585 12.348 1.00 42.01 H new ATOM 0 HD22 LEU A 70 11.610 -16.299 12.711 1.00 42.01 H new ATOM 0 HD23 LEU A 70 11.548 -15.744 11.022 1.00 42.01 H new ATOM 1139 N GLU A 71 9.511 -19.564 8.501 1.00 74.45 N ATOM 1140 CA GLU A 71 9.265 -20.923 7.967 1.00 64.34 C ATOM 1141 C GLU A 71 10.439 -21.885 8.283 1.00 33.25 C ATOM 1142 O GLU A 71 11.435 -21.923 7.553 1.00 75.23 O ATOM 1143 CB GLU A 71 9.002 -20.819 6.423 1.00 3.32 C ATOM 1144 CG GLU A 71 7.559 -20.420 5.988 1.00 51.35 C ATOM 1145 CD GLU A 71 6.853 -19.422 6.925 1.00 54.33 C ATOM 1146 OE1 GLU A 71 7.117 -18.197 6.846 1.00 31.23 O ATOM 1147 OE2 GLU A 71 6.030 -19.867 7.762 1.00 54.23 O ATOM 0 H GLU A 71 9.593 -18.859 7.769 1.00 74.45 H new ATOM 0 HA GLU A 71 8.386 -21.346 8.454 1.00 64.34 H new ATOM 0 HB2 GLU A 71 9.697 -20.090 6.007 1.00 3.32 H new ATOM 0 HB3 GLU A 71 9.241 -21.782 5.971 1.00 3.32 H new ATOM 0 HG2 GLU A 71 7.603 -19.989 4.988 1.00 51.35 H new ATOM 0 HG3 GLU A 71 6.953 -21.323 5.920 1.00 51.35 H new ATOM 1154 N HIS A 72 10.326 -22.626 9.409 1.00 71.11 N ATOM 1155 CA HIS A 72 11.291 -23.689 9.764 1.00 15.43 C ATOM 1156 C HIS A 72 11.176 -24.847 8.744 1.00 60.44 C ATOM 1157 O HIS A 72 12.189 -25.410 8.305 1.00 63.23 O ATOM 1158 CB HIS A 72 11.049 -24.191 11.206 1.00 30.34 C ATOM 1159 CG HIS A 72 12.133 -25.107 11.715 1.00 4.43 C ATOM 1160 ND1 HIS A 72 13.312 -24.638 12.253 1.00 75.24 N ATOM 1161 CD2 HIS A 72 12.228 -26.458 11.746 1.00 41.55 C ATOM 1162 CE1 HIS A 72 14.078 -25.651 12.590 1.00 52.12 C ATOM 1163 NE2 HIS A 72 13.447 -26.765 12.294 1.00 71.01 N ATOM 0 H HIS A 72 9.574 -22.506 10.088 1.00 71.11 H new ATOM 0 HA HIS A 72 12.302 -23.284 9.726 1.00 15.43 H new ATOM 0 HB2 HIS A 72 10.968 -23.332 11.872 1.00 30.34 H new ATOM 0 HB3 HIS A 72 10.094 -24.715 11.244 1.00 30.34 H new ATOM 0 HD2 HIS A 72 11.483 -27.161 11.403 1.00 41.55 H new ATOM 0 HE1 HIS A 72 15.060 -25.580 13.035 1.00 52.12 H new ATOM 0 HE2 HIS A 72 13.806 -27.707 12.447 1.00 71.01 H new ATOM 1172 N HIS A 73 9.914 -25.196 8.398 1.00 63.41 N ATOM 1173 CA HIS A 73 9.602 -26.015 7.207 1.00 2.42 C ATOM 1174 C HIS A 73 10.128 -25.287 5.942 1.00 3.13 C ATOM 1175 O HIS A 73 9.731 -24.148 5.661 1.00 33.55 O ATOM 1176 CB HIS A 73 8.069 -26.313 7.117 1.00 34.21 C ATOM 1177 CG HIS A 73 7.167 -25.096 7.006 1.00 62.41 C ATOM 1178 ND1 HIS A 73 6.416 -24.810 5.881 1.00 41.32 N ATOM 1179 CD2 HIS A 73 6.884 -24.104 7.889 1.00 11.40 C ATOM 1180 CE1 HIS A 73 5.721 -23.707 6.079 1.00 74.31 C ATOM 1181 NE2 HIS A 73 5.986 -23.259 7.287 1.00 74.23 N ATOM 0 H HIS A 73 9.091 -24.919 8.933 1.00 63.41 H new ATOM 0 HA HIS A 73 10.101 -26.981 7.285 1.00 2.42 H new ATOM 0 HB2 HIS A 73 7.892 -26.953 6.253 1.00 34.21 H new ATOM 0 HB3 HIS A 73 7.775 -26.881 8.000 1.00 34.21 H new ATOM 0 HD2 HIS A 73 7.291 -23.999 8.884 1.00 11.40 H new ATOM 0 HE1 HIS A 73 5.048 -23.249 5.369 1.00 74.31 H new ATOM 0 HE2 HIS A 73 5.588 -22.419 7.708 1.00 74.23 H new ATOM 1190 N HIS A 74 11.050 -25.944 5.221 1.00 52.13 N ATOM 1191 CA HIS A 74 11.869 -25.297 4.168 1.00 32.54 C ATOM 1192 C HIS A 74 11.031 -24.825 2.953 1.00 10.22 C ATOM 1193 O HIS A 74 11.080 -23.647 2.597 1.00 30.13 O ATOM 1194 CB HIS A 74 13.011 -26.246 3.727 1.00 71.23 C ATOM 1195 CG HIS A 74 13.962 -26.606 4.844 1.00 15.23 C ATOM 1196 ND1 HIS A 74 14.813 -25.687 5.418 1.00 64.35 N ATOM 1197 CD2 HIS A 74 14.176 -27.769 5.507 1.00 22.51 C ATOM 1198 CE1 HIS A 74 15.504 -26.262 6.378 1.00 50.55 C ATOM 1199 NE2 HIS A 74 15.139 -27.523 6.454 1.00 73.44 N ATOM 0 H HIS A 74 11.253 -26.936 5.346 1.00 52.13 H new ATOM 0 HA HIS A 74 12.300 -24.395 4.602 1.00 32.54 H new ATOM 0 HB2 HIS A 74 12.577 -27.160 3.322 1.00 71.23 H new ATOM 0 HB3 HIS A 74 13.573 -25.775 2.920 1.00 71.23 H new ATOM 0 HD2 HIS A 74 13.682 -28.712 5.324 1.00 22.51 H new ATOM 0 HE1 HIS A 74 16.245 -25.780 6.998 1.00 50.55 H new ATOM 0 HE2 HIS A 74 15.512 -28.208 7.111 1.00 73.44 H new ATOM 1208 N HIS A 75 10.251 -25.736 2.337 1.00 64.20 N ATOM 1209 CA HIS A 75 9.414 -25.398 1.154 1.00 64.31 C ATOM 1210 C HIS A 75 8.243 -26.393 0.960 1.00 41.13 C ATOM 1211 O HIS A 75 8.226 -27.479 1.552 1.00 52.52 O ATOM 1212 CB HIS A 75 10.293 -25.324 -0.131 1.00 71.11 C ATOM 1213 CG HIS A 75 11.023 -26.600 -0.481 1.00 43.43 C ATOM 1214 ND1 HIS A 75 12.356 -26.809 -0.187 1.00 31.24 N ATOM 1215 CD2 HIS A 75 10.612 -27.720 -1.131 1.00 72.14 C ATOM 1216 CE1 HIS A 75 12.727 -27.991 -0.638 1.00 34.13 C ATOM 1217 NE2 HIS A 75 11.692 -28.560 -1.213 1.00 52.43 N ATOM 0 H HIS A 75 10.179 -26.709 2.633 1.00 64.20 H new ATOM 0 HA HIS A 75 8.973 -24.419 1.338 1.00 64.31 H new ATOM 0 HB2 HIS A 75 9.658 -25.044 -0.972 1.00 71.11 H new ATOM 0 HB3 HIS A 75 11.026 -24.527 -0.006 1.00 71.11 H new ATOM 0 HD2 HIS A 75 9.620 -27.912 -1.512 1.00 72.14 H new ATOM 0 HE1 HIS A 75 13.715 -28.419 -0.550 1.00 34.13 H new ATOM 0 HE2 HIS A 75 11.692 -29.481 -1.651 1.00 52.43 H new ATOM 1226 N HIS A 76 7.283 -26.002 0.102 1.00 51.15 N ATOM 1227 CA HIS A 76 6.148 -26.860 -0.303 1.00 1.20 C ATOM 1228 C HIS A 76 5.746 -26.525 -1.765 1.00 51.22 C ATOM 1229 O HIS A 76 5.463 -25.368 -2.089 1.00 24.42 O ATOM 1230 CB HIS A 76 4.940 -26.662 0.656 1.00 41.31 C ATOM 1231 CG HIS A 76 3.826 -27.664 0.472 1.00 45.22 C ATOM 1232 ND1 HIS A 76 2.937 -27.628 -0.584 1.00 20.32 N ATOM 1233 CD2 HIS A 76 3.471 -28.743 1.214 1.00 11.03 C ATOM 1234 CE1 HIS A 76 2.090 -28.630 -0.486 1.00 4.15 C ATOM 1235 NE2 HIS A 76 2.391 -29.320 0.594 1.00 53.13 N ATOM 0 H HIS A 76 7.270 -25.079 -0.333 1.00 51.15 H new ATOM 0 HA HIS A 76 6.452 -27.905 -0.245 1.00 1.20 H new ATOM 0 HB2 HIS A 76 5.296 -26.718 1.685 1.00 41.31 H new ATOM 0 HB3 HIS A 76 4.538 -25.659 0.512 1.00 41.31 H new ATOM 0 HD1 HIS A 76 2.937 -26.930 -1.328 1.00 20.32 H new ATOM 0 HD2 HIS A 76 3.948 -29.084 2.121 1.00 11.03 H new ATOM 0 HE1 HIS A 76 1.286 -28.849 -1.173 1.00 4.15 H new ATOM 1244 N HIS A 77 5.720 -27.551 -2.632 1.00 54.10 N ATOM 1245 CA HIS A 77 5.339 -27.419 -4.061 1.00 4.12 C ATOM 1246 C HIS A 77 3.810 -27.535 -4.253 1.00 54.51 C ATOM 1247 O HIS A 77 3.010 -27.035 -3.462 1.00 30.42 O ATOM 1248 CB HIS A 77 6.071 -28.517 -4.873 1.00 15.35 C ATOM 1249 CG HIS A 77 5.788 -28.522 -6.358 1.00 42.33 C ATOM 1250 ND1 HIS A 77 4.732 -29.211 -6.920 1.00 64.31 N ATOM 1251 CD2 HIS A 77 6.436 -27.936 -7.399 1.00 62.14 C ATOM 1252 CE1 HIS A 77 4.740 -29.053 -8.223 1.00 72.42 C ATOM 1253 NE2 HIS A 77 5.757 -28.285 -8.542 1.00 25.12 N ATOM 0 H HIS A 77 5.963 -28.505 -2.366 1.00 54.10 H new ATOM 0 HA HIS A 77 5.634 -26.432 -4.416 1.00 4.12 H new ATOM 0 HB2 HIS A 77 7.145 -28.400 -4.725 1.00 15.35 H new ATOM 0 HB3 HIS A 77 5.798 -29.490 -4.465 1.00 15.35 H new ATOM 0 HD2 HIS A 77 7.317 -27.314 -7.339 1.00 62.14 H new ATOM 0 HE1 HIS A 77 4.031 -29.482 -8.916 1.00 72.42 H new ATOM 0 HE2 HIS A 77 6.004 -27.994 -9.488 1.00 25.12 H new TER 1262 HIS A 77 ATOM 1263 N MET B 1 1.692 -17.114 -8.323 1.00 13.11 N ATOM 1264 CA MET B 1 1.776 -15.671 -8.595 1.00 22.34 C ATOM 1265 C MET B 1 0.540 -14.906 -8.060 1.00 34.45 C ATOM 1266 O MET B 1 0.424 -13.689 -8.236 1.00 41.41 O ATOM 1267 CB MET B 1 1.987 -15.430 -10.119 1.00 62.14 C ATOM 1268 CG MET B 1 0.979 -16.152 -11.034 1.00 71.50 C ATOM 1269 SD MET B 1 -0.717 -15.546 -10.863 1.00 43.14 S ATOM 1270 CE MET B 1 -1.620 -16.693 -11.904 1.00 22.25 C ATOM 0 H1 MET B 1 2.477 -17.603 -8.799 1.00 13.11 H new ATOM 0 H2 MET B 1 1.752 -17.278 -7.298 1.00 13.11 H new ATOM 0 H3 MET B 1 0.787 -17.482 -8.680 1.00 13.11 H new ATOM 0 HA MET B 1 2.637 -15.273 -8.058 1.00 22.34 H new ATOM 0 HB2 MET B 1 1.931 -14.359 -10.314 1.00 62.14 H new ATOM 0 HB3 MET B 1 2.994 -15.751 -10.387 1.00 62.14 H new ATOM 0 HG2 MET B 1 1.295 -16.036 -12.071 1.00 71.50 H new ATOM 0 HG3 MET B 1 0.999 -17.219 -10.812 1.00 71.50 H new ATOM 0 HE1 MET B 1 -2.680 -16.438 -11.892 1.00 22.25 H new ATOM 0 HE2 MET B 1 -1.243 -16.632 -12.925 1.00 22.25 H new ATOM 0 HE3 MET B 1 -1.487 -17.708 -11.528 1.00 22.25 H new ATOM 1280 N LYS B 2 -0.366 -15.627 -7.374 1.00 33.34 N ATOM 1281 CA LYS B 2 -1.630 -15.060 -6.830 1.00 53.23 C ATOM 1282 C LYS B 2 -1.441 -14.541 -5.370 1.00 44.43 C ATOM 1283 O LYS B 2 -2.377 -14.548 -4.560 1.00 63.25 O ATOM 1284 CB LYS B 2 -2.741 -16.150 -6.917 1.00 24.23 C ATOM 1285 CG LYS B 2 -2.904 -16.779 -8.326 1.00 34.22 C ATOM 1286 CD LYS B 2 -4.111 -17.754 -8.482 1.00 30.02 C ATOM 1287 CE LYS B 2 -4.120 -18.947 -7.492 1.00 12.42 C ATOM 1288 NZ LYS B 2 -4.671 -18.583 -6.158 1.00 43.41 N ATOM 0 H LYS B 2 -0.249 -16.621 -7.177 1.00 33.34 H new ATOM 0 HA LYS B 2 -1.928 -14.196 -7.424 1.00 53.23 H new ATOM 0 HB2 LYS B 2 -2.515 -16.941 -6.202 1.00 24.23 H new ATOM 0 HB3 LYS B 2 -3.691 -15.709 -6.616 1.00 24.23 H new ATOM 0 HG2 LYS B 2 -3.010 -15.976 -9.055 1.00 34.22 H new ATOM 0 HG3 LYS B 2 -1.989 -17.316 -8.575 1.00 34.22 H new ATOM 0 HD2 LYS B 2 -5.034 -17.189 -8.355 1.00 30.02 H new ATOM 0 HD3 LYS B 2 -4.114 -18.145 -9.499 1.00 30.02 H new ATOM 0 HE2 LYS B 2 -4.710 -19.760 -7.915 1.00 12.42 H new ATOM 0 HE3 LYS B 2 -3.103 -19.321 -7.371 1.00 12.42 H new ATOM 0 HZ1 LYS B 2 -3.960 -18.776 -5.424 1.00 43.41 H new ATOM 0 HZ2 LYS B 2 -4.914 -17.572 -6.147 1.00 43.41 H new ATOM 0 HZ3 LYS B 2 -5.525 -19.146 -5.970 1.00 43.41 H new ATOM 1302 N MET B 3 -0.222 -14.048 -5.080 1.00 41.32 N ATOM 1303 CA MET B 3 0.189 -13.534 -3.752 1.00 71.44 C ATOM 1304 C MET B 3 -0.405 -12.120 -3.500 1.00 31.12 C ATOM 1305 O MET B 3 -0.619 -11.357 -4.446 1.00 71.13 O ATOM 1306 CB MET B 3 1.747 -13.497 -3.718 1.00 54.14 C ATOM 1307 CG MET B 3 2.389 -13.097 -2.385 1.00 33.03 C ATOM 1308 SD MET B 3 2.030 -14.266 -1.060 1.00 44.01 S ATOM 1309 CE MET B 3 3.158 -13.710 0.222 1.00 1.53 C ATOM 0 H MET B 3 0.523 -13.993 -5.775 1.00 41.32 H new ATOM 0 HA MET B 3 -0.188 -14.184 -2.963 1.00 71.44 H new ATOM 0 HB2 MET B 3 2.119 -14.484 -3.994 1.00 54.14 H new ATOM 0 HB3 MET B 3 2.089 -12.802 -4.485 1.00 54.14 H new ATOM 0 HG2 MET B 3 3.469 -13.022 -2.515 1.00 33.03 H new ATOM 0 HG3 MET B 3 2.033 -12.108 -2.097 1.00 33.03 H new ATOM 0 HE1 MET B 3 2.985 -14.284 1.133 1.00 1.53 H new ATOM 0 HE2 MET B 3 4.186 -13.856 -0.109 1.00 1.53 H new ATOM 0 HE3 MET B 3 2.988 -12.652 0.422 1.00 1.53 H new ATOM 1319 N LEU B 4 -0.640 -11.773 -2.216 1.00 50.30 N ATOM 1320 CA LEU B 4 -1.201 -10.449 -1.816 1.00 1.23 C ATOM 1321 C LEU B 4 -0.184 -9.307 -2.086 1.00 40.54 C ATOM 1322 O LEU B 4 -0.565 -8.156 -2.319 1.00 13.42 O ATOM 1323 CB LEU B 4 -1.625 -10.452 -0.314 1.00 32.53 C ATOM 1324 CG LEU B 4 -2.839 -11.356 0.097 1.00 43.42 C ATOM 1325 CD1 LEU B 4 -4.110 -10.989 -0.694 1.00 61.31 C ATOM 1326 CD2 LEU B 4 -2.504 -12.861 -0.010 1.00 54.22 C ATOM 0 H LEU B 4 -0.450 -12.392 -1.428 1.00 50.30 H new ATOM 0 HA LEU B 4 -2.088 -10.270 -2.424 1.00 1.23 H new ATOM 0 HB2 LEU B 4 -0.763 -10.759 0.278 1.00 32.53 H new ATOM 0 HB3 LEU B 4 -1.859 -9.426 -0.029 1.00 32.53 H new ATOM 0 HG LEU B 4 -3.046 -11.158 1.149 1.00 43.42 H new ATOM 0 HD11 LEU B 4 -4.931 -11.635 -0.384 1.00 61.31 H new ATOM 0 HD12 LEU B 4 -4.373 -9.949 -0.499 1.00 61.31 H new ATOM 0 HD13 LEU B 4 -3.926 -11.122 -1.760 1.00 61.31 H new ATOM 0 HD21 LEU B 4 -3.373 -13.449 0.284 1.00 54.22 H new ATOM 0 HD22 LEU B 4 -2.234 -13.101 -1.038 1.00 54.22 H new ATOM 0 HD23 LEU B 4 -1.668 -13.095 0.649 1.00 54.22 H new ATOM 1338 N LYS B 5 1.111 -9.657 -2.028 1.00 41.02 N ATOM 1339 CA LYS B 5 2.214 -8.782 -2.477 1.00 50.23 C ATOM 1340 C LYS B 5 2.161 -8.600 -4.018 1.00 13.52 C ATOM 1341 O LYS B 5 2.255 -7.483 -4.527 1.00 54.22 O ATOM 1342 CB LYS B 5 3.573 -9.402 -2.005 1.00 63.41 C ATOM 1343 CG LYS B 5 4.866 -8.556 -2.253 1.00 63.44 C ATOM 1344 CD LYS B 5 5.523 -8.749 -3.649 1.00 22.04 C ATOM 1345 CE LYS B 5 5.997 -10.190 -3.902 1.00 35.24 C ATOM 1346 NZ LYS B 5 6.727 -10.314 -5.186 1.00 31.01 N ATOM 0 H LYS B 5 1.427 -10.557 -1.668 1.00 41.02 H new ATOM 0 HA LYS B 5 2.115 -7.790 -2.036 1.00 50.23 H new ATOM 0 HB2 LYS B 5 3.500 -9.603 -0.936 1.00 63.41 H new ATOM 0 HB3 LYS B 5 3.697 -10.364 -2.503 1.00 63.41 H new ATOM 0 HG2 LYS B 5 4.621 -7.501 -2.127 1.00 63.44 H new ATOM 0 HG3 LYS B 5 5.599 -8.807 -1.486 1.00 63.44 H new ATOM 0 HD2 LYS B 5 4.808 -8.468 -4.422 1.00 22.04 H new ATOM 0 HD3 LYS B 5 6.373 -8.073 -3.740 1.00 22.04 H new ATOM 0 HE2 LYS B 5 6.644 -10.508 -3.084 1.00 35.24 H new ATOM 0 HE3 LYS B 5 5.137 -10.860 -3.907 1.00 35.24 H new ATOM 0 HZ1 LYS B 5 6.395 -11.159 -5.694 1.00 31.01 H new ATOM 0 HZ2 LYS B 5 6.553 -9.469 -5.767 1.00 31.01 H new ATOM 0 HZ3 LYS B 5 7.746 -10.401 -4.999 1.00 31.01 H new ATOM 1360 N GLU B 6 1.956 -9.715 -4.736 1.00 72.10 N ATOM 1361 CA GLU B 6 2.103 -9.776 -6.212 1.00 15.34 C ATOM 1362 C GLU B 6 0.981 -9.000 -6.950 1.00 73.13 C ATOM 1363 O GLU B 6 1.246 -8.346 -7.966 1.00 54.43 O ATOM 1364 CB GLU B 6 2.134 -11.262 -6.688 1.00 12.43 C ATOM 1365 CG GLU B 6 3.114 -11.551 -7.840 1.00 24.05 C ATOM 1366 CD GLU B 6 4.578 -11.347 -7.414 1.00 11.31 C ATOM 1367 OE1 GLU B 6 5.136 -12.232 -6.728 1.00 62.34 O ATOM 1368 OE2 GLU B 6 5.174 -10.292 -7.730 1.00 0.24 O ATOM 0 H GLU B 6 1.683 -10.604 -4.317 1.00 72.10 H new ATOM 0 HA GLU B 6 3.047 -9.293 -6.463 1.00 15.34 H new ATOM 0 HB2 GLU B 6 2.395 -11.895 -5.840 1.00 12.43 H new ATOM 0 HB3 GLU B 6 1.131 -11.549 -7.003 1.00 12.43 H new ATOM 0 HG2 GLU B 6 2.976 -12.576 -8.185 1.00 24.05 H new ATOM 0 HG3 GLU B 6 2.887 -10.897 -8.682 1.00 24.05 H new ATOM 1375 N LYS B 7 -0.268 -9.090 -6.433 1.00 4.01 N ATOM 1376 CA LYS B 7 -1.434 -8.372 -7.012 1.00 21.12 C ATOM 1377 C LYS B 7 -1.250 -6.834 -6.942 1.00 42.23 C ATOM 1378 O LYS B 7 -1.705 -6.113 -7.824 1.00 20.13 O ATOM 1379 CB LYS B 7 -2.777 -8.845 -6.343 1.00 32.52 C ATOM 1380 CG LYS B 7 -2.881 -8.740 -4.784 1.00 42.22 C ATOM 1381 CD LYS B 7 -3.221 -7.322 -4.218 1.00 45.22 C ATOM 1382 CE LYS B 7 -4.704 -6.906 -4.351 1.00 61.32 C ATOM 1383 NZ LYS B 7 -5.162 -6.784 -5.757 1.00 62.14 N ATOM 0 H LYS B 7 -0.496 -9.654 -5.614 1.00 4.01 H new ATOM 0 HA LYS B 7 -1.495 -8.628 -8.070 1.00 21.12 H new ATOM 0 HB2 LYS B 7 -3.592 -8.264 -6.775 1.00 32.52 H new ATOM 0 HB3 LYS B 7 -2.945 -9.885 -6.623 1.00 32.52 H new ATOM 0 HG2 LYS B 7 -3.644 -9.439 -4.442 1.00 42.22 H new ATOM 0 HG3 LYS B 7 -1.934 -9.065 -4.353 1.00 42.22 H new ATOM 0 HD2 LYS B 7 -2.943 -7.291 -3.164 1.00 45.22 H new ATOM 0 HD3 LYS B 7 -2.604 -6.584 -4.732 1.00 45.22 H new ATOM 0 HE2 LYS B 7 -5.326 -7.639 -3.837 1.00 61.32 H new ATOM 0 HE3 LYS B 7 -4.852 -5.952 -3.845 1.00 61.32 H new ATOM 0 HZ1 LYS B 7 -5.956 -6.115 -5.806 1.00 62.14 H new ATOM 0 HZ2 LYS B 7 -4.380 -6.437 -6.348 1.00 62.14 H new ATOM 0 HZ3 LYS B 7 -5.471 -7.715 -6.103 1.00 62.14 H new ATOM 1397 N ALA B 8 -0.558 -6.359 -5.886 1.00 73.23 N ATOM 1398 CA ALA B 8 -0.205 -4.929 -5.714 1.00 21.55 C ATOM 1399 C ALA B 8 0.757 -4.451 -6.834 1.00 3.51 C ATOM 1400 O ALA B 8 0.651 -3.321 -7.310 1.00 2.30 O ATOM 1401 CB ALA B 8 0.410 -4.698 -4.321 1.00 4.53 C ATOM 0 H ALA B 8 -0.227 -6.954 -5.127 1.00 73.23 H new ATOM 0 HA ALA B 8 -1.117 -4.338 -5.792 1.00 21.55 H new ATOM 0 HB1 ALA B 8 0.665 -3.645 -4.206 1.00 4.53 H new ATOM 0 HB2 ALA B 8 -0.310 -4.983 -3.554 1.00 4.53 H new ATOM 0 HB3 ALA B 8 1.311 -5.303 -4.216 1.00 4.53 H new ATOM 1407 N GLY B 9 1.679 -5.348 -7.244 1.00 5.55 N ATOM 1408 CA GLY B 9 2.618 -5.089 -8.353 1.00 54.43 C ATOM 1409 C GLY B 9 1.960 -5.112 -9.735 1.00 23.31 C ATOM 1410 O GLY B 9 2.304 -4.302 -10.610 1.00 50.30 O ATOM 0 H GLY B 9 1.792 -6.267 -6.817 1.00 5.55 H new ATOM 0 HA2 GLY B 9 3.088 -4.117 -8.200 1.00 54.43 H new ATOM 0 HA3 GLY B 9 3.412 -5.835 -8.326 1.00 54.43 H new ATOM 1414 N ALA B 10 1.009 -6.049 -9.918 1.00 11.33 N ATOM 1415 CA ALA B 10 0.207 -6.173 -11.158 1.00 24.03 C ATOM 1416 C ALA B 10 -0.625 -4.888 -11.422 1.00 74.41 C ATOM 1417 O ALA B 10 -0.707 -4.397 -12.558 1.00 32.35 O ATOM 1418 CB ALA B 10 -0.709 -7.409 -11.072 1.00 50.11 C ATOM 0 H ALA B 10 0.772 -6.744 -9.210 1.00 11.33 H new ATOM 0 HA ALA B 10 0.891 -6.299 -11.997 1.00 24.03 H new ATOM 0 HB1 ALA B 10 -1.295 -7.492 -11.988 1.00 50.11 H new ATOM 0 HB2 ALA B 10 -0.101 -8.305 -10.948 1.00 50.11 H new ATOM 0 HB3 ALA B 10 -1.381 -7.306 -10.220 1.00 50.11 H new ATOM 1424 N LEU B 11 -1.214 -4.347 -10.336 1.00 42.52 N ATOM 1425 CA LEU B 11 -1.959 -3.067 -10.357 1.00 1.30 C ATOM 1426 C LEU B 11 -1.006 -1.860 -10.517 1.00 31.12 C ATOM 1427 O LEU B 11 -1.320 -0.912 -11.226 1.00 13.32 O ATOM 1428 CB LEU B 11 -2.788 -2.922 -9.056 1.00 3.13 C ATOM 1429 CG LEU B 11 -3.836 -4.050 -8.801 1.00 1.31 C ATOM 1430 CD1 LEU B 11 -4.492 -3.901 -7.416 1.00 64.51 C ATOM 1431 CD2 LEU B 11 -4.885 -4.112 -9.935 1.00 31.03 C ATOM 0 H LEU B 11 -1.187 -4.786 -9.415 1.00 42.52 H new ATOM 0 HA LEU B 11 -2.629 -3.079 -11.217 1.00 1.30 H new ATOM 0 HB2 LEU B 11 -2.102 -2.889 -8.210 1.00 3.13 H new ATOM 0 HB3 LEU B 11 -3.309 -1.965 -9.082 1.00 3.13 H new ATOM 0 HG LEU B 11 -3.307 -5.003 -8.804 1.00 1.31 H new ATOM 0 HD11 LEU B 11 -5.217 -4.702 -7.269 1.00 64.51 H new ATOM 0 HD12 LEU B 11 -3.726 -3.958 -6.643 1.00 64.51 H new ATOM 0 HD13 LEU B 11 -4.998 -2.938 -7.355 1.00 64.51 H new ATOM 0 HD21 LEU B 11 -5.600 -4.908 -9.726 1.00 31.03 H new ATOM 0 HD22 LEU B 11 -5.411 -3.159 -9.997 1.00 31.03 H new ATOM 0 HD23 LEU B 11 -4.385 -4.313 -10.883 1.00 31.03 H new ATOM 1443 N ALA B 12 0.170 -1.931 -9.869 1.00 73.51 N ATOM 1444 CA ALA B 12 1.182 -0.841 -9.890 1.00 71.13 C ATOM 1445 C ALA B 12 1.670 -0.512 -11.313 1.00 15.13 C ATOM 1446 O ALA B 12 1.885 0.659 -11.645 1.00 4.20 O ATOM 1447 CB ALA B 12 2.383 -1.211 -9.018 1.00 61.13 C ATOM 0 H ALA B 12 0.452 -2.740 -9.315 1.00 73.51 H new ATOM 0 HA ALA B 12 0.690 0.047 -9.493 1.00 71.13 H new ATOM 0 HB1 ALA B 12 3.114 -0.403 -9.044 1.00 61.13 H new ATOM 0 HB2 ALA B 12 2.052 -1.368 -7.991 1.00 61.13 H new ATOM 0 HB3 ALA B 12 2.839 -2.126 -9.396 1.00 61.13 H new ATOM 1453 N GLY B 13 1.869 -1.569 -12.124 1.00 44.03 N ATOM 1454 CA GLY B 13 2.276 -1.416 -13.524 1.00 0.11 C ATOM 1455 C GLY B 13 1.291 -0.583 -14.355 1.00 10.34 C ATOM 1456 O GLY B 13 1.675 0.430 -14.936 1.00 21.43 O ATOM 0 H GLY B 13 1.753 -2.538 -11.828 1.00 44.03 H new ATOM 0 HA2 GLY B 13 3.259 -0.946 -13.560 1.00 0.11 H new ATOM 0 HA3 GLY B 13 2.378 -2.403 -13.976 1.00 0.11 H new ATOM 1460 N GLN B 14 0.002 -0.977 -14.333 1.00 71.23 N ATOM 1461 CA GLN B 14 -1.064 -0.311 -15.128 1.00 21.23 C ATOM 1462 C GLN B 14 -1.400 1.112 -14.595 1.00 54.22 C ATOM 1463 O GLN B 14 -1.735 2.004 -15.382 1.00 0.22 O ATOM 1464 CB GLN B 14 -2.347 -1.192 -15.191 1.00 33.44 C ATOM 1465 CG GLN B 14 -2.975 -1.523 -13.822 1.00 51.12 C ATOM 1466 CD GLN B 14 -4.231 -2.401 -13.880 1.00 42.12 C ATOM 1467 OE1 GLN B 14 -5.121 -2.285 -13.041 1.00 44.54 O ATOM 1468 NE2 GLN B 14 -4.305 -3.305 -14.840 1.00 65.23 N ATOM 0 H GLN B 14 -0.334 -1.759 -13.770 1.00 71.23 H new ATOM 0 HA GLN B 14 -0.674 -0.191 -16.139 1.00 21.23 H new ATOM 0 HB2 GLN B 14 -3.091 -0.681 -15.802 1.00 33.44 H new ATOM 0 HB3 GLN B 14 -2.104 -2.126 -15.698 1.00 33.44 H new ATOM 0 HG2 GLN B 14 -2.227 -2.025 -13.208 1.00 51.12 H new ATOM 0 HG3 GLN B 14 -3.226 -0.589 -13.319 1.00 51.12 H new ATOM 0 HE21 GLN B 14 -3.554 -3.383 -15.526 1.00 65.23 H new ATOM 0 HE22 GLN B 14 -5.113 -3.925 -14.896 1.00 65.23 H new ATOM 1477 N ILE B 15 -1.316 1.313 -13.255 1.00 64.32 N ATOM 1478 CA ILE B 15 -1.510 2.648 -12.621 1.00 32.13 C ATOM 1479 C ILE B 15 -0.397 3.628 -13.068 1.00 20.40 C ATOM 1480 O ILE B 15 -0.680 4.774 -13.436 1.00 75.52 O ATOM 1481 CB ILE B 15 -1.573 2.543 -11.037 1.00 14.14 C ATOM 1482 CG1 ILE B 15 -2.849 1.749 -10.593 1.00 32.11 C ATOM 1483 CG2 ILE B 15 -1.529 3.941 -10.350 1.00 4.40 C ATOM 1484 CD1 ILE B 15 -2.973 1.504 -9.092 1.00 1.12 C ATOM 0 H ILE B 15 -1.115 0.567 -12.589 1.00 64.32 H new ATOM 0 HA ILE B 15 -2.471 3.039 -12.957 1.00 32.13 H new ATOM 0 HB ILE B 15 -0.685 2.000 -10.713 1.00 14.14 H new ATOM 0 HG12 ILE B 15 -3.731 2.293 -10.930 1.00 32.11 H new ATOM 0 HG13 ILE B 15 -2.854 0.786 -11.104 1.00 32.11 H new ATOM 0 HG21 ILE B 15 -1.575 3.816 -9.268 1.00 4.40 H new ATOM 0 HG22 ILE B 15 -0.603 4.449 -10.618 1.00 4.40 H new ATOM 0 HG23 ILE B 15 -2.379 4.537 -10.683 1.00 4.40 H new ATOM 0 HD11 ILE B 15 -3.888 0.948 -8.888 1.00 1.12 H new ATOM 0 HD12 ILE B 15 -2.114 0.929 -8.745 1.00 1.12 H new ATOM 0 HD13 ILE B 15 -3.005 2.460 -8.569 1.00 1.12 H new ATOM 1496 N TRP B 16 0.857 3.138 -13.070 1.00 32.40 N ATOM 1497 CA TRP B 16 2.029 3.914 -13.526 1.00 13.40 C ATOM 1498 C TRP B 16 1.924 4.268 -15.038 1.00 21.13 C ATOM 1499 O TRP B 16 2.260 5.381 -15.441 1.00 23.21 O ATOM 1500 CB TRP B 16 3.339 3.125 -13.251 1.00 64.03 C ATOM 1501 CG TRP B 16 4.587 3.911 -13.584 1.00 32.40 C ATOM 1502 CD1 TRP B 16 5.224 4.802 -12.771 1.00 4.15 C ATOM 1503 CD2 TRP B 16 5.316 3.908 -14.827 1.00 65.03 C ATOM 1504 NE1 TRP B 16 6.307 5.343 -13.422 1.00 15.10 N ATOM 1505 CE2 TRP B 16 6.380 4.813 -14.685 1.00 64.34 C ATOM 1506 CE3 TRP B 16 5.167 3.222 -16.042 1.00 23.01 C ATOM 1507 CZ2 TRP B 16 7.291 5.055 -15.711 1.00 2.13 C ATOM 1508 CZ3 TRP B 16 6.069 3.463 -17.059 1.00 61.23 C ATOM 1509 CH2 TRP B 16 7.121 4.374 -16.889 1.00 15.33 C ATOM 0 H TRP B 16 1.087 2.195 -12.757 1.00 32.40 H new ATOM 0 HA TRP B 16 2.049 4.847 -12.963 1.00 13.40 H new ATOM 0 HB2 TRP B 16 3.368 2.837 -12.200 1.00 64.03 H new ATOM 0 HB3 TRP B 16 3.331 2.204 -13.834 1.00 64.03 H new ATOM 0 HD1 TRP B 16 4.922 5.047 -11.763 1.00 4.15 H new ATOM 0 HE1 TRP B 16 6.952 6.028 -13.029 1.00 15.10 H new ATOM 0 HE3 TRP B 16 4.360 2.517 -16.179 1.00 23.01 H new ATOM 0 HZ2 TRP B 16 8.103 5.755 -15.583 1.00 2.13 H new ATOM 0 HZ3 TRP B 16 5.963 2.942 -17.999 1.00 61.23 H new ATOM 0 HH2 TRP B 16 7.811 4.543 -17.702 1.00 15.33 H new ATOM 1520 N GLU B 17 1.475 3.292 -15.862 1.00 2.31 N ATOM 1521 CA GLU B 17 1.273 3.484 -17.329 1.00 44.21 C ATOM 1522 C GLU B 17 0.190 4.549 -17.625 1.00 3.41 C ATOM 1523 O GLU B 17 0.308 5.309 -18.595 1.00 64.45 O ATOM 1524 CB GLU B 17 0.913 2.133 -18.009 1.00 2.55 C ATOM 1525 CG GLU B 17 2.050 1.097 -17.985 1.00 24.42 C ATOM 1526 CD GLU B 17 1.644 -0.252 -18.604 1.00 3.11 C ATOM 1527 OE1 GLU B 17 1.114 -1.121 -17.882 1.00 64.42 O ATOM 1528 OE2 GLU B 17 1.857 -0.449 -19.817 1.00 70.03 O ATOM 0 H GLU B 17 1.242 2.353 -15.537 1.00 2.31 H new ATOM 0 HA GLU B 17 2.212 3.849 -17.746 1.00 44.21 H new ATOM 0 HB2 GLU B 17 0.039 1.710 -17.513 1.00 2.55 H new ATOM 0 HB3 GLU B 17 0.631 2.323 -19.044 1.00 2.55 H new ATOM 0 HG2 GLU B 17 2.909 1.495 -18.525 1.00 24.42 H new ATOM 0 HG3 GLU B 17 2.368 0.937 -16.955 1.00 24.42 H new ATOM 1535 N ALA B 18 -0.847 4.605 -16.767 1.00 22.24 N ATOM 1536 CA ALA B 18 -1.896 5.653 -16.824 1.00 4.44 C ATOM 1537 C ALA B 18 -1.302 7.063 -16.533 1.00 35.33 C ATOM 1538 O ALA B 18 -1.720 8.064 -17.125 1.00 63.31 O ATOM 1539 CB ALA B 18 -3.029 5.324 -15.831 1.00 23.35 C ATOM 0 H ALA B 18 -0.985 3.929 -16.015 1.00 22.24 H new ATOM 0 HA ALA B 18 -2.307 5.670 -17.834 1.00 4.44 H new ATOM 0 HB1 ALA B 18 -3.793 6.100 -15.881 1.00 23.35 H new ATOM 0 HB2 ALA B 18 -3.471 4.362 -16.089 1.00 23.35 H new ATOM 0 HB3 ALA B 18 -2.625 5.278 -14.820 1.00 23.35 H new ATOM 1545 N LEU B 19 -0.309 7.108 -15.620 1.00 61.52 N ATOM 1546 CA LEU B 19 0.418 8.347 -15.241 1.00 22.54 C ATOM 1547 C LEU B 19 1.488 8.741 -16.298 1.00 62.04 C ATOM 1548 O LEU B 19 1.802 9.930 -16.452 1.00 34.35 O ATOM 1549 CB LEU B 19 1.106 8.141 -13.864 1.00 33.34 C ATOM 1550 CG LEU B 19 0.166 7.825 -12.657 1.00 62.34 C ATOM 1551 CD1 LEU B 19 0.979 7.419 -11.409 1.00 11.25 C ATOM 1552 CD2 LEU B 19 -0.769 9.015 -12.352 1.00 5.11 C ATOM 0 H LEU B 19 0.016 6.281 -15.119 1.00 61.52 H new ATOM 0 HA LEU B 19 -0.310 9.156 -15.186 1.00 22.54 H new ATOM 0 HB2 LEU B 19 1.824 7.327 -13.960 1.00 33.34 H new ATOM 0 HB3 LEU B 19 1.674 9.041 -13.628 1.00 33.34 H new ATOM 0 HG LEU B 19 -0.459 6.976 -12.936 1.00 62.34 H new ATOM 0 HD11 LEU B 19 0.298 7.205 -10.585 1.00 11.25 H new ATOM 0 HD12 LEU B 19 1.569 6.530 -11.632 1.00 11.25 H new ATOM 0 HD13 LEU B 19 1.645 8.235 -11.127 1.00 11.25 H new ATOM 0 HD21 LEU B 19 -1.411 8.766 -11.507 1.00 5.11 H new ATOM 0 HD22 LEU B 19 -0.172 9.893 -12.107 1.00 5.11 H new ATOM 0 HD23 LEU B 19 -1.385 9.227 -13.226 1.00 5.11 H new ATOM 1564 N ASN B 20 2.051 7.730 -17.000 1.00 42.40 N ATOM 1565 CA ASN B 20 3.175 7.914 -17.948 1.00 40.40 C ATOM 1566 C ASN B 20 2.735 8.721 -19.195 1.00 34.33 C ATOM 1567 O ASN B 20 1.780 8.347 -19.878 1.00 63.13 O ATOM 1568 CB ASN B 20 3.776 6.538 -18.351 1.00 45.53 C ATOM 1569 CG ASN B 20 5.080 6.647 -19.156 1.00 62.24 C ATOM 1570 OD1 ASN B 20 5.847 7.591 -18.995 1.00 15.33 O ATOM 1571 ND2 ASN B 20 5.350 5.682 -20.015 1.00 40.30 N ATOM 0 H ASN B 20 1.738 6.762 -16.925 1.00 42.40 H new ATOM 0 HA ASN B 20 3.951 8.492 -17.446 1.00 40.40 H new ATOM 0 HB2 ASN B 20 3.963 5.955 -17.449 1.00 45.53 H new ATOM 0 HB3 ASN B 20 3.041 5.988 -18.939 1.00 45.53 H new ATOM 0 HD21 ASN B 20 6.211 5.712 -20.561 1.00 40.30 H new ATOM 0 HD22 ASN B 20 4.698 4.907 -20.133 1.00 40.30 H new ATOM 1578 N GLY B 21 3.452 9.833 -19.464 1.00 2.51 N ATOM 1579 CA GLY B 21 3.078 10.801 -20.512 1.00 50.22 C ATOM 1580 C GLY B 21 2.202 11.946 -19.976 1.00 34.50 C ATOM 1581 O GLY B 21 2.344 13.100 -20.390 1.00 5.22 O ATOM 0 H GLY B 21 4.304 10.083 -18.961 1.00 2.51 H new ATOM 0 HA2 GLY B 21 3.982 11.218 -20.956 1.00 50.22 H new ATOM 0 HA3 GLY B 21 2.543 10.281 -21.307 1.00 50.22 H new ATOM 1585 N THR B 22 1.300 11.606 -19.039 1.00 14.24 N ATOM 1586 CA THR B 22 0.361 12.562 -18.403 1.00 50.54 C ATOM 1587 C THR B 22 1.077 13.389 -17.299 1.00 12.12 C ATOM 1588 O THR B 22 2.099 12.962 -16.757 1.00 51.01 O ATOM 1589 CB THR B 22 -0.863 11.792 -17.767 1.00 21.12 C ATOM 1590 OG1 THR B 22 -1.284 10.719 -18.623 1.00 71.11 O ATOM 1591 CG2 THR B 22 -2.071 12.715 -17.510 1.00 73.04 C ATOM 0 H THR B 22 1.197 10.651 -18.695 1.00 14.24 H new ATOM 0 HA THR B 22 0.000 13.240 -19.176 1.00 50.54 H new ATOM 0 HB THR B 22 -0.516 11.402 -16.810 1.00 21.12 H new ATOM 0 HG1 THR B 22 -1.404 9.904 -18.092 1.00 71.11 H new ATOM 0 HG21 THR B 22 -2.885 12.136 -17.073 1.00 73.04 H new ATOM 0 HG22 THR B 22 -1.781 13.510 -16.823 1.00 73.04 H new ATOM 0 HG23 THR B 22 -2.402 13.152 -18.452 1.00 73.04 H new ATOM 1599 N GLU B 23 0.511 14.561 -16.951 1.00 10.11 N ATOM 1600 CA GLU B 23 1.035 15.437 -15.859 1.00 52.15 C ATOM 1601 C GLU B 23 0.534 14.989 -14.449 1.00 52.34 C ATOM 1602 O GLU B 23 0.736 15.692 -13.451 1.00 33.41 O ATOM 1603 CB GLU B 23 0.676 16.935 -16.128 1.00 35.22 C ATOM 1604 CG GLU B 23 -0.828 17.308 -16.066 1.00 34.32 C ATOM 1605 CD GLU B 23 -1.688 16.697 -17.187 1.00 1.55 C ATOM 1606 OE1 GLU B 23 -1.444 17.013 -18.371 1.00 74.25 O ATOM 1607 OE2 GLU B 23 -2.590 15.887 -16.895 1.00 55.03 O ATOM 0 H GLU B 23 -0.319 14.935 -17.410 1.00 10.11 H new ATOM 0 HA GLU B 23 2.120 15.334 -15.859 1.00 52.15 H new ATOM 0 HB2 GLU B 23 1.210 17.549 -15.403 1.00 35.22 H new ATOM 0 HB3 GLU B 23 1.054 17.205 -17.114 1.00 35.22 H new ATOM 0 HG2 GLU B 23 -1.228 16.988 -15.104 1.00 34.32 H new ATOM 0 HG3 GLU B 23 -0.921 18.393 -16.105 1.00 34.32 H new ATOM 1614 N GLY B 24 -0.095 13.801 -14.381 1.00 3.33 N ATOM 1615 CA GLY B 24 -0.596 13.231 -13.124 1.00 60.11 C ATOM 1616 C GLY B 24 -2.116 13.211 -13.064 1.00 63.30 C ATOM 1617 O GLY B 24 -2.773 14.104 -13.601 1.00 54.52 O ATOM 0 H GLY B 24 -0.268 13.213 -15.196 1.00 3.33 H new ATOM 0 HA2 GLY B 24 -0.217 12.215 -13.012 1.00 60.11 H new ATOM 0 HA3 GLY B 24 -0.209 13.810 -12.285 1.00 60.11 H new ATOM 1621 N LEU B 25 -2.682 12.184 -12.404 1.00 51.32 N ATOM 1622 CA LEU B 25 -4.152 11.996 -12.299 1.00 74.40 C ATOM 1623 C LEU B 25 -4.577 11.886 -10.814 1.00 55.12 C ATOM 1624 O LEU B 25 -3.749 11.590 -9.941 1.00 25.24 O ATOM 1625 CB LEU B 25 -4.635 10.724 -13.077 1.00 23.21 C ATOM 1626 CG LEU B 25 -4.401 10.673 -14.634 1.00 40.43 C ATOM 1627 CD1 LEU B 25 -2.950 10.309 -14.986 1.00 30.14 C ATOM 1628 CD2 LEU B 25 -5.389 9.700 -15.330 1.00 11.34 C ATOM 0 H LEU B 25 -2.142 11.461 -11.929 1.00 51.32 H new ATOM 0 HA LEU B 25 -4.622 12.869 -12.752 1.00 74.40 H new ATOM 0 HB2 LEU B 25 -4.142 9.857 -12.637 1.00 23.21 H new ATOM 0 HB3 LEU B 25 -5.704 10.609 -12.897 1.00 23.21 H new ATOM 0 HG LEU B 25 -4.593 11.678 -15.010 1.00 40.43 H new ATOM 0 HD11 LEU B 25 -2.833 10.285 -16.069 1.00 30.14 H new ATOM 0 HD12 LEU B 25 -2.275 11.054 -14.565 1.00 30.14 H new ATOM 0 HD13 LEU B 25 -2.711 9.329 -14.574 1.00 30.14 H new ATOM 0 HD21 LEU B 25 -5.197 9.692 -16.403 1.00 11.34 H new ATOM 0 HD22 LEU B 25 -5.253 8.695 -14.929 1.00 11.34 H new ATOM 0 HD23 LEU B 25 -6.412 10.028 -15.147 1.00 11.34 H new ATOM 1640 N THR B 26 -5.877 12.135 -10.542 1.00 50.54 N ATOM 1641 CA THR B 26 -6.475 11.900 -9.201 1.00 33.21 C ATOM 1642 C THR B 26 -6.864 10.412 -9.036 1.00 23.03 C ATOM 1643 O THR B 26 -6.844 9.640 -10.005 1.00 54.33 O ATOM 1644 CB THR B 26 -7.759 12.775 -8.935 1.00 43.45 C ATOM 1645 OG1 THR B 26 -8.811 12.413 -9.846 1.00 32.13 O ATOM 1646 CG2 THR B 26 -7.482 14.283 -9.050 1.00 12.30 C ATOM 0 H THR B 26 -6.536 12.499 -11.231 1.00 50.54 H new ATOM 0 HA THR B 26 -5.710 12.187 -8.479 1.00 33.21 H new ATOM 0 HB THR B 26 -8.067 12.572 -7.909 1.00 43.45 H new ATOM 0 HG1 THR B 26 -9.602 12.963 -9.668 1.00 32.13 H new ATOM 0 HG21 THR B 26 -8.400 14.837 -8.857 1.00 12.30 H new ATOM 0 HG22 THR B 26 -6.725 14.571 -8.321 1.00 12.30 H new ATOM 0 HG23 THR B 26 -7.124 14.512 -10.054 1.00 12.30 H new ATOM 1654 N GLN B 27 -7.236 10.033 -7.799 1.00 12.43 N ATOM 1655 CA GLN B 27 -7.756 8.684 -7.471 1.00 24.12 C ATOM 1656 C GLN B 27 -8.982 8.299 -8.349 1.00 12.13 C ATOM 1657 O GLN B 27 -9.174 7.126 -8.679 1.00 62.41 O ATOM 1658 CB GLN B 27 -8.127 8.625 -5.962 1.00 3.33 C ATOM 1659 CG GLN B 27 -9.180 9.667 -5.520 1.00 42.23 C ATOM 1660 CD GLN B 27 -9.547 9.585 -4.041 1.00 4.31 C ATOM 1661 OE1 GLN B 27 -8.951 10.244 -3.199 1.00 44.33 O ATOM 1662 NE2 GLN B 27 -10.528 8.771 -3.713 1.00 74.42 N ATOM 0 H GLN B 27 -7.186 10.654 -6.992 1.00 12.43 H new ATOM 0 HA GLN B 27 -6.971 7.959 -7.686 1.00 24.12 H new ATOM 0 HB2 GLN B 27 -8.502 7.628 -5.732 1.00 3.33 H new ATOM 0 HB3 GLN B 27 -7.222 8.769 -5.372 1.00 3.33 H new ATOM 0 HG2 GLN B 27 -8.801 10.666 -5.736 1.00 42.23 H new ATOM 0 HG3 GLN B 27 -10.082 9.533 -6.116 1.00 42.23 H new ATOM 0 HE21 GLN B 27 -11.008 8.234 -4.435 1.00 74.42 H new ATOM 0 HE22 GLN B 27 -10.808 8.678 -2.737 1.00 74.42 H new ATOM 1671 N LYS B 28 -9.797 9.316 -8.685 1.00 2.41 N ATOM 1672 CA LYS B 28 -10.952 9.197 -9.604 1.00 61.42 C ATOM 1673 C LYS B 28 -10.514 8.812 -11.045 1.00 3.04 C ATOM 1674 O LYS B 28 -10.984 7.818 -11.613 1.00 23.20 O ATOM 1675 CB LYS B 28 -11.702 10.561 -9.647 1.00 53.20 C ATOM 1676 CG LYS B 28 -13.060 10.543 -10.384 1.00 63.21 C ATOM 1677 CD LYS B 28 -14.105 9.688 -9.639 1.00 31.40 C ATOM 1678 CE LYS B 28 -15.483 9.701 -10.306 1.00 74.21 C ATOM 1679 NZ LYS B 28 -16.484 8.979 -9.487 1.00 24.42 N ATOM 0 H LYS B 28 -9.672 10.261 -8.321 1.00 2.41 H new ATOM 0 HA LYS B 28 -11.601 8.405 -9.231 1.00 61.42 H new ATOM 0 HB2 LYS B 28 -11.867 10.899 -8.624 1.00 53.20 H new ATOM 0 HB3 LYS B 28 -11.057 11.297 -10.126 1.00 53.20 H new ATOM 0 HG2 LYS B 28 -13.431 11.563 -10.487 1.00 63.21 H new ATOM 0 HG3 LYS B 28 -12.921 10.151 -11.392 1.00 63.21 H new ATOM 0 HD2 LYS B 28 -13.747 8.660 -9.579 1.00 31.40 H new ATOM 0 HD3 LYS B 28 -14.200 10.052 -8.616 1.00 31.40 H new ATOM 0 HE2 LYS B 28 -15.807 10.731 -10.456 1.00 74.21 H new ATOM 0 HE3 LYS B 28 -15.417 9.241 -11.292 1.00 74.21 H new ATOM 0 HZ1 LYS B 28 -17.407 9.005 -9.965 1.00 24.42 H new ATOM 0 HZ2 LYS B 28 -16.185 7.990 -9.365 1.00 24.42 H new ATOM 0 HZ3 LYS B 28 -16.563 9.434 -8.555 1.00 24.42 H new ATOM 1693 N GLN B 29 -9.579 9.606 -11.590 1.00 11.22 N ATOM 1694 CA GLN B 29 -9.170 9.548 -13.017 1.00 0.03 C ATOM 1695 C GLN B 29 -8.393 8.252 -13.370 1.00 14.31 C ATOM 1696 O GLN B 29 -8.589 7.676 -14.448 1.00 43.34 O ATOM 1697 CB GLN B 29 -8.301 10.779 -13.349 1.00 44.33 C ATOM 1698 CG GLN B 29 -8.961 12.143 -13.086 1.00 12.34 C ATOM 1699 CD GLN B 29 -7.983 13.313 -13.251 1.00 15.31 C ATOM 1700 OE1 GLN B 29 -7.063 13.264 -14.056 1.00 70.53 O ATOM 1701 NE2 GLN B 29 -8.152 14.352 -12.469 1.00 72.33 N ATOM 0 H GLN B 29 -9.077 10.315 -11.055 1.00 11.22 H new ATOM 0 HA GLN B 29 -10.081 9.546 -13.615 1.00 0.03 H new ATOM 0 HB2 GLN B 29 -7.381 10.721 -12.767 1.00 44.33 H new ATOM 0 HB3 GLN B 29 -8.016 10.729 -14.400 1.00 44.33 H new ATOM 0 HG2 GLN B 29 -9.799 12.275 -13.771 1.00 12.34 H new ATOM 0 HG3 GLN B 29 -9.370 12.156 -12.076 1.00 12.34 H new ATOM 0 HE21 GLN B 29 -8.926 14.370 -11.805 1.00 72.33 H new ATOM 0 HE22 GLN B 29 -7.509 15.142 -12.524 1.00 72.33 H new ATOM 1710 N ILE B 30 -7.497 7.817 -12.459 1.00 51.33 N ATOM 1711 CA ILE B 30 -6.703 6.573 -12.640 1.00 14.13 C ATOM 1712 C ILE B 30 -7.624 5.328 -12.752 1.00 42.20 C ATOM 1713 O ILE B 30 -7.379 4.449 -13.576 1.00 74.44 O ATOM 1714 CB ILE B 30 -5.654 6.361 -11.475 1.00 4.14 C ATOM 1715 CG1 ILE B 30 -4.670 7.573 -11.393 1.00 34.55 C ATOM 1716 CG2 ILE B 30 -4.868 5.033 -11.649 1.00 55.15 C ATOM 1717 CD1 ILE B 30 -3.656 7.530 -10.254 1.00 61.14 C ATOM 0 H ILE B 30 -7.302 8.308 -11.586 1.00 51.33 H new ATOM 0 HA ILE B 30 -6.152 6.691 -13.573 1.00 14.13 H new ATOM 0 HB ILE B 30 -6.209 6.297 -10.539 1.00 4.14 H new ATOM 0 HG12 ILE B 30 -4.127 7.640 -12.336 1.00 34.55 H new ATOM 0 HG13 ILE B 30 -5.256 8.487 -11.298 1.00 34.55 H new ATOM 0 HG21 ILE B 30 -4.157 4.921 -10.831 1.00 55.15 H new ATOM 0 HG22 ILE B 30 -5.564 4.194 -11.642 1.00 55.15 H new ATOM 0 HG23 ILE B 30 -4.330 5.050 -12.597 1.00 55.15 H new ATOM 0 HD11 ILE B 30 -3.026 8.419 -10.294 1.00 61.14 H new ATOM 0 HD12 ILE B 30 -4.182 7.500 -9.300 1.00 61.14 H new ATOM 0 HD13 ILE B 30 -3.034 6.640 -10.354 1.00 61.14 H new ATOM 1729 N LYS B 31 -8.706 5.297 -11.948 1.00 71.03 N ATOM 1730 CA LYS B 31 -9.688 4.177 -11.943 1.00 72.44 C ATOM 1731 C LYS B 31 -10.446 4.026 -13.280 1.00 2.14 C ATOM 1732 O LYS B 31 -10.951 2.948 -13.572 1.00 35.15 O ATOM 1733 CB LYS B 31 -10.696 4.334 -10.785 1.00 35.03 C ATOM 1734 CG LYS B 31 -10.078 4.130 -9.394 1.00 50.13 C ATOM 1735 CD LYS B 31 -11.130 4.200 -8.268 1.00 33.02 C ATOM 1736 CE LYS B 31 -10.499 4.003 -6.890 1.00 64.02 C ATOM 1737 NZ LYS B 31 -9.506 5.069 -6.570 1.00 11.41 N ATOM 0 H LYS B 31 -8.929 6.039 -11.285 1.00 71.03 H new ATOM 0 HA LYS B 31 -9.105 3.267 -11.800 1.00 72.44 H new ATOM 0 HB2 LYS B 31 -11.139 5.329 -10.833 1.00 35.03 H new ATOM 0 HB3 LYS B 31 -11.506 3.618 -10.921 1.00 35.03 H new ATOM 0 HG2 LYS B 31 -9.577 3.162 -9.360 1.00 50.13 H new ATOM 0 HG3 LYS B 31 -9.315 4.890 -9.223 1.00 50.13 H new ATOM 0 HD2 LYS B 31 -11.635 5.165 -8.302 1.00 33.02 H new ATOM 0 HD3 LYS B 31 -11.890 3.436 -8.432 1.00 33.02 H new ATOM 0 HE2 LYS B 31 -11.281 3.997 -6.131 1.00 64.02 H new ATOM 0 HE3 LYS B 31 -10.010 3.029 -6.851 1.00 64.02 H new ATOM 0 HZ1 LYS B 31 -8.563 4.644 -6.460 1.00 11.41 H new ATOM 0 HZ2 LYS B 31 -9.484 5.766 -7.342 1.00 11.41 H new ATOM 0 HZ3 LYS B 31 -9.778 5.542 -5.684 1.00 11.41 H new ATOM 1751 N LYS B 32 -10.568 5.121 -14.053 1.00 12.21 N ATOM 1752 CA LYS B 32 -11.130 5.074 -15.424 1.00 12.03 C ATOM 1753 C LYS B 32 -10.164 4.275 -16.345 1.00 75.34 C ATOM 1754 O LYS B 32 -10.559 3.284 -16.974 1.00 44.03 O ATOM 1755 CB LYS B 32 -11.374 6.534 -15.958 1.00 2.32 C ATOM 1756 CG LYS B 32 -12.245 6.680 -17.253 1.00 4.22 C ATOM 1757 CD LYS B 32 -11.550 6.188 -18.555 1.00 20.30 C ATOM 1758 CE LYS B 32 -12.408 6.367 -19.817 1.00 45.40 C ATOM 1759 NZ LYS B 32 -12.618 7.798 -20.154 1.00 43.03 N ATOM 0 H LYS B 32 -10.285 6.054 -13.754 1.00 12.21 H new ATOM 0 HA LYS B 32 -12.094 4.565 -15.416 1.00 12.03 H new ATOM 0 HB2 LYS B 32 -11.848 7.111 -15.164 1.00 2.32 H new ATOM 0 HB3 LYS B 32 -10.403 6.992 -16.149 1.00 2.32 H new ATOM 0 HG2 LYS B 32 -13.172 6.122 -17.117 1.00 4.22 H new ATOM 0 HG3 LYS B 32 -12.519 7.728 -17.376 1.00 4.22 H new ATOM 0 HD2 LYS B 32 -10.613 6.730 -18.683 1.00 20.30 H new ATOM 0 HD3 LYS B 32 -11.296 5.134 -18.445 1.00 20.30 H new ATOM 0 HE2 LYS B 32 -11.926 5.865 -20.656 1.00 45.40 H new ATOM 0 HE3 LYS B 32 -13.374 5.885 -19.669 1.00 45.40 H new ATOM 0 HZ1 LYS B 32 -13.188 7.870 -21.021 1.00 43.03 H new ATOM 0 HZ2 LYS B 32 -13.116 8.269 -19.372 1.00 43.03 H new ATOM 0 HZ3 LYS B 32 -11.697 8.258 -20.305 1.00 43.03 H new ATOM 1773 N ALA B 33 -8.895 4.726 -16.394 1.00 2.25 N ATOM 1774 CA ALA B 33 -7.869 4.187 -17.320 1.00 32.23 C ATOM 1775 C ALA B 33 -7.511 2.707 -17.007 1.00 51.11 C ATOM 1776 O ALA B 33 -7.420 1.866 -17.907 1.00 32.51 O ATOM 1777 CB ALA B 33 -6.617 5.077 -17.268 1.00 32.02 C ATOM 0 H ALA B 33 -8.548 5.475 -15.794 1.00 2.25 H new ATOM 0 HA ALA B 33 -8.283 4.198 -18.328 1.00 32.23 H new ATOM 0 HB1 ALA B 33 -5.862 4.683 -17.948 1.00 32.02 H new ATOM 0 HB2 ALA B 33 -6.879 6.092 -17.567 1.00 32.02 H new ATOM 0 HB3 ALA B 33 -6.221 5.089 -16.253 1.00 32.02 H new ATOM 1783 N THR B 34 -7.328 2.410 -15.713 1.00 50.13 N ATOM 1784 CA THR B 34 -6.996 1.049 -15.214 1.00 41.13 C ATOM 1785 C THR B 34 -8.252 0.156 -15.086 1.00 42.14 C ATOM 1786 O THR B 34 -8.138 -1.075 -15.064 1.00 54.22 O ATOM 1787 CB THR B 34 -6.282 1.126 -13.827 1.00 10.32 C ATOM 1788 OG1 THR B 34 -7.156 1.741 -12.855 1.00 13.22 O ATOM 1789 CG2 THR B 34 -4.969 1.924 -13.912 1.00 52.11 C ATOM 0 H THR B 34 -7.405 3.105 -14.970 1.00 50.13 H new ATOM 0 HA THR B 34 -6.327 0.601 -15.949 1.00 41.13 H new ATOM 0 HB THR B 34 -6.044 0.108 -13.519 1.00 10.32 H new ATOM 0 HG1 THR B 34 -7.237 2.698 -13.048 1.00 13.22 H new ATOM 0 HG21 THR B 34 -4.499 1.957 -12.929 1.00 52.11 H new ATOM 0 HG22 THR B 34 -4.295 1.442 -14.620 1.00 52.11 H new ATOM 0 HG23 THR B 34 -5.181 2.939 -14.247 1.00 52.11 H new ATOM 1797 N LYS B 35 -9.435 0.806 -14.980 1.00 41.45 N ATOM 1798 CA LYS B 35 -10.759 0.140 -14.833 1.00 64.43 C ATOM 1799 C LYS B 35 -10.892 -0.560 -13.450 1.00 41.42 C ATOM 1800 O LYS B 35 -11.539 -1.607 -13.325 1.00 40.25 O ATOM 1801 CB LYS B 35 -11.056 -0.821 -16.030 1.00 45.40 C ATOM 1802 CG LYS B 35 -11.231 -0.098 -17.390 1.00 2.52 C ATOM 1803 CD LYS B 35 -11.392 -1.074 -18.578 1.00 64.43 C ATOM 1804 CE LYS B 35 -10.121 -1.906 -18.838 1.00 54.44 C ATOM 1805 NZ LYS B 35 -10.287 -2.845 -19.973 1.00 51.21 N ATOM 0 H LYS B 35 -9.502 1.824 -14.994 1.00 41.45 H new ATOM 0 HA LYS B 35 -11.527 0.913 -14.864 1.00 64.43 H new ATOM 0 HB2 LYS B 35 -10.242 -1.541 -16.115 1.00 45.40 H new ATOM 0 HB3 LYS B 35 -11.961 -1.387 -15.812 1.00 45.40 H new ATOM 0 HG2 LYS B 35 -12.105 0.552 -17.340 1.00 2.52 H new ATOM 0 HG3 LYS B 35 -10.367 0.543 -17.568 1.00 2.52 H new ATOM 0 HD2 LYS B 35 -12.227 -1.746 -18.381 1.00 64.43 H new ATOM 0 HD3 LYS B 35 -11.642 -0.509 -19.476 1.00 64.43 H new ATOM 0 HE2 LYS B 35 -9.286 -1.236 -19.043 1.00 54.44 H new ATOM 0 HE3 LYS B 35 -9.866 -2.467 -17.939 1.00 54.44 H new ATOM 0 HZ1 LYS B 35 -9.407 -3.383 -20.110 1.00 51.21 H new ATOM 0 HZ2 LYS B 35 -11.066 -3.503 -19.768 1.00 51.21 H new ATOM 0 HZ3 LYS B 35 -10.504 -2.309 -20.838 1.00 51.21 H new ATOM 1819 N LEU B 36 -10.299 0.069 -12.406 1.00 5.53 N ATOM 1820 CA LEU B 36 -10.380 -0.421 -11.010 1.00 12.04 C ATOM 1821 C LEU B 36 -11.712 0.010 -10.349 1.00 65.03 C ATOM 1822 O LEU B 36 -12.047 1.197 -10.309 1.00 22.23 O ATOM 1823 CB LEU B 36 -9.165 0.074 -10.167 1.00 52.25 C ATOM 1824 CG LEU B 36 -7.779 -0.529 -10.557 1.00 20.51 C ATOM 1825 CD1 LEU B 36 -6.651 0.004 -9.641 1.00 70.21 C ATOM 1826 CD2 LEU B 36 -7.826 -2.078 -10.570 1.00 62.34 C ATOM 0 H LEU B 36 -9.754 0.925 -12.508 1.00 5.53 H new ATOM 0 HA LEU B 36 -10.349 -1.510 -11.040 1.00 12.04 H new ATOM 0 HB2 LEU B 36 -9.105 1.159 -10.252 1.00 52.25 H new ATOM 0 HB3 LEU B 36 -9.357 -0.153 -9.118 1.00 52.25 H new ATOM 0 HG LEU B 36 -7.549 -0.202 -11.571 1.00 20.51 H new ATOM 0 HD11 LEU B 36 -5.700 -0.437 -9.941 1.00 70.21 H new ATOM 0 HD12 LEU B 36 -6.592 1.089 -9.730 1.00 70.21 H new ATOM 0 HD13 LEU B 36 -6.865 -0.264 -8.606 1.00 70.21 H new ATOM 0 HD21 LEU B 36 -6.847 -2.469 -10.845 1.00 62.34 H new ATOM 0 HD22 LEU B 36 -8.097 -2.442 -9.579 1.00 62.34 H new ATOM 0 HD23 LEU B 36 -8.567 -2.413 -11.295 1.00 62.34 H new ATOM 1838 N LYS B 37 -12.456 -0.983 -9.837 1.00 64.32 N ATOM 1839 CA LYS B 37 -13.764 -0.779 -9.176 1.00 20.22 C ATOM 1840 C LYS B 37 -13.575 -0.368 -7.693 1.00 21.51 C ATOM 1841 O LYS B 37 -14.156 0.617 -7.229 1.00 25.03 O ATOM 1842 CB LYS B 37 -14.601 -2.085 -9.291 1.00 5.22 C ATOM 1843 CG LYS B 37 -16.009 -2.023 -8.648 1.00 74.14 C ATOM 1844 CD LYS B 37 -16.798 -3.342 -8.832 1.00 10.53 C ATOM 1845 CE LYS B 37 -18.192 -3.306 -8.179 1.00 21.54 C ATOM 1846 NZ LYS B 37 -18.113 -3.124 -6.704 1.00 21.42 N ATOM 0 H LYS B 37 -12.168 -1.961 -9.868 1.00 64.32 H new ATOM 0 HA LYS B 37 -14.297 0.032 -9.672 1.00 20.22 H new ATOM 0 HB2 LYS B 37 -14.711 -2.335 -10.346 1.00 5.22 H new ATOM 0 HB3 LYS B 37 -14.042 -2.898 -8.827 1.00 5.22 H new ATOM 0 HG2 LYS B 37 -15.911 -1.806 -7.584 1.00 74.14 H new ATOM 0 HG3 LYS B 37 -16.572 -1.201 -9.090 1.00 74.14 H new ATOM 0 HD2 LYS B 37 -16.907 -3.548 -9.897 1.00 10.53 H new ATOM 0 HD3 LYS B 37 -16.224 -4.165 -8.405 1.00 10.53 H new ATOM 0 HE2 LYS B 37 -18.775 -2.494 -8.614 1.00 21.54 H new ATOM 0 HE3 LYS B 37 -18.721 -4.233 -8.402 1.00 21.54 H new ATOM 0 HZ1 LYS B 37 -19.062 -3.224 -6.291 1.00 21.42 H new ATOM 0 HZ2 LYS B 37 -17.481 -3.844 -6.299 1.00 21.42 H new ATOM 0 HZ3 LYS B 37 -17.740 -2.177 -6.491 1.00 21.42 H new ATOM 1860 N ALA B 38 -12.746 -1.135 -6.965 1.00 65.03 N ATOM 1861 CA ALA B 38 -12.465 -0.898 -5.533 1.00 74.44 C ATOM 1862 C ALA B 38 -11.218 -0.008 -5.340 1.00 64.12 C ATOM 1863 O ALA B 38 -10.159 -0.253 -5.935 1.00 62.11 O ATOM 1864 CB ALA B 38 -12.280 -2.232 -4.790 1.00 74.54 C ATOM 0 H ALA B 38 -12.250 -1.938 -7.350 1.00 65.03 H new ATOM 0 HA ALA B 38 -13.323 -0.373 -5.114 1.00 74.44 H new ATOM 0 HB1 ALA B 38 -12.074 -2.037 -3.738 1.00 74.54 H new ATOM 0 HB2 ALA B 38 -13.189 -2.826 -4.878 1.00 74.54 H new ATOM 0 HB3 ALA B 38 -11.445 -2.779 -5.228 1.00 74.54 H new ATOM 1870 N ASP B 39 -11.362 1.027 -4.492 1.00 54.11 N ATOM 1871 CA ASP B 39 -10.233 1.861 -4.013 1.00 64.44 C ATOM 1872 C ASP B 39 -9.245 1.034 -3.149 1.00 2.01 C ATOM 1873 O ASP B 39 -8.066 1.365 -3.064 1.00 40.33 O ATOM 1874 CB ASP B 39 -10.766 3.093 -3.227 1.00 31.21 C ATOM 1875 CG ASP B 39 -11.784 2.712 -2.137 1.00 33.21 C ATOM 1876 OD1 ASP B 39 -11.372 2.369 -1.012 1.00 1.23 O ATOM 1877 OD2 ASP B 39 -13.002 2.728 -2.412 1.00 75.12 O ATOM 0 H ASP B 39 -12.266 1.313 -4.116 1.00 54.11 H new ATOM 0 HA ASP B 39 -9.683 2.218 -4.884 1.00 64.44 H new ATOM 0 HB2 ASP B 39 -9.927 3.615 -2.767 1.00 31.21 H new ATOM 0 HB3 ASP B 39 -11.231 3.789 -3.925 1.00 31.21 H new ATOM 1882 N LYS B 40 -9.765 -0.033 -2.519 1.00 63.22 N ATOM 1883 CA LYS B 40 -8.977 -0.989 -1.695 1.00 74.12 C ATOM 1884 C LYS B 40 -7.843 -1.684 -2.499 1.00 5.23 C ATOM 1885 O LYS B 40 -6.768 -1.964 -1.951 1.00 34.55 O ATOM 1886 CB LYS B 40 -9.939 -2.037 -1.084 1.00 24.32 C ATOM 1887 CG LYS B 40 -11.088 -1.410 -0.256 1.00 30.20 C ATOM 1888 CD LYS B 40 -10.601 -0.653 1.008 1.00 24.11 C ATOM 1889 CE LYS B 40 -11.728 0.160 1.677 1.00 11.12 C ATOM 1890 NZ LYS B 40 -12.905 -0.679 2.035 1.00 64.32 N ATOM 0 H LYS B 40 -10.757 -0.266 -2.563 1.00 63.22 H new ATOM 0 HA LYS B 40 -8.484 -0.425 -0.903 1.00 74.12 H new ATOM 0 HB2 LYS B 40 -10.366 -2.638 -1.887 1.00 24.32 H new ATOM 0 HB3 LYS B 40 -9.370 -2.714 -0.447 1.00 24.32 H new ATOM 0 HG2 LYS B 40 -11.647 -0.721 -0.889 1.00 30.20 H new ATOM 0 HG3 LYS B 40 -11.779 -2.197 0.046 1.00 30.20 H new ATOM 0 HD2 LYS B 40 -10.199 -1.369 1.725 1.00 24.11 H new ATOM 0 HD3 LYS B 40 -9.786 0.017 0.735 1.00 24.11 H new ATOM 0 HE2 LYS B 40 -11.341 0.639 2.576 1.00 11.12 H new ATOM 0 HE3 LYS B 40 -12.045 0.956 1.004 1.00 11.12 H new ATOM 0 HZ1 LYS B 40 -13.596 -0.103 2.556 1.00 64.32 H new ATOM 0 HZ2 LYS B 40 -13.345 -1.048 1.168 1.00 64.32 H new ATOM 0 HZ3 LYS B 40 -12.597 -1.473 2.631 1.00 64.32 H new ATOM 1904 N ASP B 41 -8.105 -1.958 -3.793 1.00 2.14 N ATOM 1905 CA ASP B 41 -7.075 -2.439 -4.747 1.00 50.14 C ATOM 1906 C ASP B 41 -6.095 -1.302 -5.104 1.00 53.22 C ATOM 1907 O ASP B 41 -4.868 -1.491 -5.101 1.00 44.42 O ATOM 1908 CB ASP B 41 -7.740 -2.976 -6.043 1.00 70.14 C ATOM 1909 CG ASP B 41 -8.462 -4.308 -5.821 1.00 51.31 C ATOM 1910 OD1 ASP B 41 -7.773 -5.346 -5.706 1.00 40.43 O ATOM 1911 OD2 ASP B 41 -9.705 -4.329 -5.745 1.00 31.23 O ATOM 0 H ASP B 41 -9.031 -1.854 -4.208 1.00 2.14 H new ATOM 0 HA ASP B 41 -6.524 -3.248 -4.268 1.00 50.14 H new ATOM 0 HB2 ASP B 41 -8.451 -2.238 -6.416 1.00 70.14 H new ATOM 0 HB3 ASP B 41 -6.979 -3.103 -6.813 1.00 70.14 H new ATOM 1916 N PHE B 42 -6.675 -0.128 -5.394 1.00 72.40 N ATOM 1917 CA PHE B 42 -5.935 1.081 -5.817 1.00 30.23 C ATOM 1918 C PHE B 42 -4.861 1.530 -4.781 1.00 72.25 C ATOM 1919 O PHE B 42 -3.784 1.957 -5.171 1.00 44.24 O ATOM 1920 CB PHE B 42 -6.948 2.229 -6.104 1.00 43.22 C ATOM 1921 CG PHE B 42 -6.307 3.576 -6.422 1.00 4.12 C ATOM 1922 CD1 PHE B 42 -5.660 3.786 -7.640 1.00 70.43 C ATOM 1923 CD2 PHE B 42 -6.333 4.627 -5.499 1.00 30.43 C ATOM 1924 CE1 PHE B 42 -5.064 4.995 -7.922 1.00 71.14 C ATOM 1925 CE2 PHE B 42 -5.732 5.835 -5.787 1.00 2.45 C ATOM 1926 CZ PHE B 42 -5.100 6.021 -7.000 1.00 21.45 C ATOM 0 H PHE B 42 -7.684 0.015 -5.342 1.00 72.40 H new ATOM 0 HA PHE B 42 -5.387 0.834 -6.727 1.00 30.23 H new ATOM 0 HB2 PHE B 42 -7.581 1.936 -6.941 1.00 43.22 H new ATOM 0 HB3 PHE B 42 -7.599 2.347 -5.238 1.00 43.22 H new ATOM 0 HD1 PHE B 42 -5.626 2.991 -8.370 1.00 70.43 H new ATOM 0 HD2 PHE B 42 -6.830 4.491 -4.550 1.00 30.43 H new ATOM 0 HE1 PHE B 42 -4.566 5.141 -8.869 1.00 71.14 H new ATOM 0 HE2 PHE B 42 -5.756 6.636 -5.063 1.00 2.45 H new ATOM 0 HZ PHE B 42 -4.634 6.969 -7.227 1.00 21.45 H new ATOM 1936 N PHE B 43 -5.174 1.433 -3.470 1.00 43.33 N ATOM 1937 CA PHE B 43 -4.242 1.841 -2.377 1.00 72.22 C ATOM 1938 C PHE B 43 -2.962 0.967 -2.340 1.00 44.41 C ATOM 1939 O PHE B 43 -1.870 1.473 -2.065 1.00 53.31 O ATOM 1940 CB PHE B 43 -4.956 1.790 -0.995 1.00 42.41 C ATOM 1941 CG PHE B 43 -6.152 2.734 -0.859 1.00 73.05 C ATOM 1942 CD1 PHE B 43 -6.112 4.026 -1.395 1.00 23.12 C ATOM 1943 CD2 PHE B 43 -7.308 2.338 -0.185 1.00 45.04 C ATOM 1944 CE1 PHE B 43 -7.184 4.883 -1.268 1.00 55.31 C ATOM 1945 CE2 PHE B 43 -8.384 3.197 -0.059 1.00 2.34 C ATOM 1946 CZ PHE B 43 -8.324 4.471 -0.600 1.00 20.41 C ATOM 0 H PHE B 43 -6.068 1.075 -3.134 1.00 43.33 H new ATOM 0 HA PHE B 43 -3.939 2.866 -2.589 1.00 72.22 H new ATOM 0 HB2 PHE B 43 -5.293 0.770 -0.813 1.00 42.41 H new ATOM 0 HB3 PHE B 43 -4.231 2.030 -0.217 1.00 42.41 H new ATOM 0 HD1 PHE B 43 -5.226 4.357 -1.917 1.00 23.12 H new ATOM 0 HD2 PHE B 43 -7.363 1.348 0.244 1.00 45.04 H new ATOM 0 HE1 PHE B 43 -7.134 5.876 -1.690 1.00 55.31 H new ATOM 0 HE2 PHE B 43 -9.273 2.874 0.462 1.00 2.34 H new ATOM 0 HZ PHE B 43 -9.165 5.141 -0.501 1.00 20.41 H new ATOM 1956 N LEU B 44 -3.121 -0.341 -2.612 1.00 33.01 N ATOM 1957 CA LEU B 44 -1.996 -1.309 -2.660 1.00 5.55 C ATOM 1958 C LEU B 44 -1.120 -1.096 -3.927 1.00 24.01 C ATOM 1959 O LEU B 44 0.114 -1.176 -3.856 1.00 14.40 O ATOM 1960 CB LEU B 44 -2.532 -2.776 -2.577 1.00 45.31 C ATOM 1961 CG LEU B 44 -2.866 -3.316 -1.137 1.00 62.53 C ATOM 1962 CD1 LEU B 44 -3.918 -2.448 -0.399 1.00 1.44 C ATOM 1963 CD2 LEU B 44 -3.294 -4.805 -1.185 1.00 55.40 C ATOM 0 H LEU B 44 -4.030 -0.762 -2.805 1.00 33.01 H new ATOM 0 HA LEU B 44 -1.358 -1.132 -1.794 1.00 5.55 H new ATOM 0 HB2 LEU B 44 -3.433 -2.846 -3.186 1.00 45.31 H new ATOM 0 HB3 LEU B 44 -1.791 -3.437 -3.027 1.00 45.31 H new ATOM 0 HG LEU B 44 -1.947 -3.244 -0.555 1.00 62.53 H new ATOM 0 HD11 LEU B 44 -4.109 -2.868 0.588 1.00 1.44 H new ATOM 0 HD12 LEU B 44 -3.541 -1.431 -0.294 1.00 1.44 H new ATOM 0 HD13 LEU B 44 -4.845 -2.434 -0.972 1.00 1.44 H new ATOM 0 HD21 LEU B 44 -3.519 -5.152 -0.176 1.00 55.40 H new ATOM 0 HD22 LEU B 44 -4.181 -4.909 -1.810 1.00 55.40 H new ATOM 0 HD23 LEU B 44 -2.484 -5.403 -1.602 1.00 55.40 H new ATOM 1975 N GLY B 45 -1.778 -0.818 -5.074 1.00 41.33 N ATOM 1976 CA GLY B 45 -1.074 -0.509 -6.336 1.00 64.41 C ATOM 1977 C GLY B 45 -0.296 0.815 -6.281 1.00 2.43 C ATOM 1978 O GLY B 45 0.871 0.880 -6.659 1.00 24.14 O ATOM 0 H GLY B 45 -2.795 -0.802 -5.151 1.00 41.33 H new ATOM 0 HA2 GLY B 45 -0.384 -1.320 -6.569 1.00 64.41 H new ATOM 0 HA3 GLY B 45 -1.799 -0.464 -7.149 1.00 64.41 H new ATOM 1982 N LEU B 46 -0.958 1.860 -5.762 1.00 50.43 N ATOM 1983 CA LEU B 46 -0.372 3.216 -5.596 1.00 54.50 C ATOM 1984 C LEU B 46 0.706 3.233 -4.473 1.00 53.43 C ATOM 1985 O LEU B 46 1.674 4.000 -4.523 1.00 75.03 O ATOM 1986 CB LEU B 46 -1.505 4.230 -5.265 1.00 40.25 C ATOM 1987 CG LEU B 46 -1.090 5.730 -5.238 1.00 14.32 C ATOM 1988 CD1 LEU B 46 -0.615 6.190 -6.635 1.00 22.21 C ATOM 1989 CD2 LEU B 46 -2.227 6.626 -4.681 1.00 14.43 C ATOM 0 H LEU B 46 -1.924 1.796 -5.440 1.00 50.43 H new ATOM 0 HA LEU B 46 0.116 3.499 -6.529 1.00 54.50 H new ATOM 0 HB2 LEU B 46 -2.302 4.107 -5.999 1.00 40.25 H new ATOM 0 HB3 LEU B 46 -1.924 3.972 -4.293 1.00 40.25 H new ATOM 0 HG LEU B 46 -0.248 5.837 -4.554 1.00 14.32 H new ATOM 0 HD11 LEU B 46 -0.330 7.241 -6.594 1.00 22.21 H new ATOM 0 HD12 LEU B 46 0.243 5.593 -6.942 1.00 22.21 H new ATOM 0 HD13 LEU B 46 -1.423 6.061 -7.355 1.00 22.21 H new ATOM 0 HD21 LEU B 46 -1.902 7.666 -4.677 1.00 14.43 H new ATOM 0 HD22 LEU B 46 -3.111 6.525 -5.310 1.00 14.43 H new ATOM 0 HD23 LEU B 46 -2.468 6.317 -3.664 1.00 14.43 H new ATOM 2001 N GLY B 47 0.507 2.360 -3.473 1.00 64.12 N ATOM 2002 CA GLY B 47 1.452 2.180 -2.354 1.00 12.11 C ATOM 2003 C GLY B 47 2.757 1.515 -2.797 1.00 73.53 C ATOM 2004 O GLY B 47 3.828 1.744 -2.217 1.00 63.33 O ATOM 0 H GLY B 47 -0.314 1.757 -3.415 1.00 64.12 H new ATOM 0 HA2 GLY B 47 1.674 3.150 -1.909 1.00 12.11 H new ATOM 0 HA3 GLY B 47 0.983 1.574 -1.579 1.00 12.11 H new ATOM 2008 N TRP B 48 2.646 0.659 -3.830 1.00 70.23 N ATOM 2009 CA TRP B 48 3.809 0.067 -4.514 1.00 62.33 C ATOM 2010 C TRP B 48 4.638 1.183 -5.226 1.00 41.24 C ATOM 2011 O TRP B 48 5.856 1.173 -5.176 1.00 33.01 O ATOM 2012 CB TRP B 48 3.337 -1.018 -5.525 1.00 21.00 C ATOM 2013 CG TRP B 48 4.451 -1.862 -6.117 1.00 62.14 C ATOM 2014 CD1 TRP B 48 5.410 -1.458 -7.000 1.00 52.22 C ATOM 2015 CD2 TRP B 48 4.697 -3.253 -5.889 1.00 41.51 C ATOM 2016 NE1 TRP B 48 6.261 -2.482 -7.278 1.00 73.55 N ATOM 2017 CE2 TRP B 48 5.838 -3.601 -6.630 1.00 50.11 C ATOM 2018 CE3 TRP B 48 4.073 -4.232 -5.120 1.00 60.11 C ATOM 2019 CZ2 TRP B 48 6.367 -4.881 -6.626 1.00 54.03 C ATOM 2020 CZ3 TRP B 48 4.596 -5.508 -5.119 1.00 3.21 C ATOM 2021 CH2 TRP B 48 5.735 -5.824 -5.865 1.00 73.02 C ATOM 0 H TRP B 48 1.749 0.359 -4.213 1.00 70.23 H new ATOM 0 HA TRP B 48 4.454 -0.414 -3.778 1.00 62.33 H new ATOM 0 HB2 TRP B 48 2.627 -1.677 -5.025 1.00 21.00 H new ATOM 0 HB3 TRP B 48 2.800 -0.529 -6.337 1.00 21.00 H new ATOM 0 HD1 TRP B 48 5.483 -0.465 -7.419 1.00 52.22 H new ATOM 0 HE1 TRP B 48 7.085 -2.421 -7.877 1.00 73.55 H new ATOM 0 HE3 TRP B 48 3.196 -3.996 -4.535 1.00 60.11 H new ATOM 0 HZ2 TRP B 48 7.247 -5.125 -7.203 1.00 54.03 H new ATOM 0 HZ3 TRP B 48 4.117 -6.277 -4.531 1.00 3.21 H new ATOM 0 HH2 TRP B 48 6.123 -6.832 -5.840 1.00 73.02 H new ATOM 2032 N LEU B 49 3.953 2.152 -5.859 1.00 15.03 N ATOM 2033 CA LEU B 49 4.609 3.317 -6.536 1.00 40.34 C ATOM 2034 C LEU B 49 5.518 4.139 -5.571 1.00 53.44 C ATOM 2035 O LEU B 49 6.494 4.767 -6.012 1.00 31.31 O ATOM 2036 CB LEU B 49 3.537 4.225 -7.218 1.00 24.24 C ATOM 2037 CG LEU B 49 3.068 3.812 -8.657 1.00 25.52 C ATOM 2038 CD1 LEU B 49 2.744 2.327 -8.758 1.00 31.31 C ATOM 2039 CD2 LEU B 49 1.854 4.653 -9.098 1.00 12.31 C ATOM 0 H LEU B 49 2.935 2.163 -5.923 1.00 15.03 H new ATOM 0 HA LEU B 49 5.267 2.915 -7.306 1.00 40.34 H new ATOM 0 HB2 LEU B 49 2.660 4.258 -6.572 1.00 24.24 H new ATOM 0 HB3 LEU B 49 3.934 5.239 -7.269 1.00 24.24 H new ATOM 0 HG LEU B 49 3.903 4.010 -9.329 1.00 25.52 H new ATOM 0 HD11 LEU B 49 2.424 2.093 -9.773 1.00 31.31 H new ATOM 0 HD12 LEU B 49 3.631 1.743 -8.513 1.00 31.31 H new ATOM 0 HD13 LEU B 49 1.944 2.081 -8.060 1.00 31.31 H new ATOM 0 HD21 LEU B 49 1.546 4.350 -10.099 1.00 12.31 H new ATOM 0 HD22 LEU B 49 1.030 4.496 -8.401 1.00 12.31 H new ATOM 0 HD23 LEU B 49 2.126 5.708 -9.106 1.00 12.31 H new ATOM 2051 N LEU B 50 5.171 4.137 -4.263 1.00 24.22 N ATOM 2052 CA LEU B 50 6.016 4.732 -3.197 1.00 4.42 C ATOM 2053 C LEU B 50 7.346 3.948 -3.002 1.00 45.42 C ATOM 2054 O LEU B 50 8.402 4.562 -2.867 1.00 51.14 O ATOM 2055 CB LEU B 50 5.234 4.814 -1.855 1.00 62.24 C ATOM 2056 CG LEU B 50 3.963 5.723 -1.858 1.00 61.30 C ATOM 2057 CD1 LEU B 50 3.275 5.728 -0.468 1.00 42.24 C ATOM 2058 CD2 LEU B 50 4.306 7.158 -2.338 1.00 40.34 C ATOM 0 H LEU B 50 4.304 3.726 -3.917 1.00 24.22 H new ATOM 0 HA LEU B 50 6.273 5.742 -3.517 1.00 4.42 H new ATOM 0 HB2 LEU B 50 4.935 3.806 -1.570 1.00 62.24 H new ATOM 0 HB3 LEU B 50 5.913 5.175 -1.083 1.00 62.24 H new ATOM 0 HG LEU B 50 3.250 5.305 -2.569 1.00 61.30 H new ATOM 0 HD11 LEU B 50 2.394 6.369 -0.500 1.00 42.24 H new ATOM 0 HD12 LEU B 50 2.976 4.713 -0.206 1.00 42.24 H new ATOM 0 HD13 LEU B 50 3.971 6.106 0.281 1.00 42.24 H new ATOM 0 HD21 LEU B 50 3.404 7.770 -2.331 1.00 40.34 H new ATOM 0 HD22 LEU B 50 5.048 7.597 -1.671 1.00 40.34 H new ATOM 0 HD23 LEU B 50 4.708 7.117 -3.350 1.00 40.34 H new ATOM 2070 N ARG B 51 7.300 2.590 -3.015 1.00 41.51 N ATOM 2071 CA ARG B 51 8.538 1.754 -2.906 1.00 14.13 C ATOM 2072 C ARG B 51 9.430 1.949 -4.159 1.00 11.23 C ATOM 2073 O ARG B 51 10.655 1.819 -4.100 1.00 45.25 O ATOM 2074 CB ARG B 51 8.196 0.236 -2.700 1.00 35.21 C ATOM 2075 CG ARG B 51 8.031 -0.609 -3.997 1.00 34.35 C ATOM 2076 CD ARG B 51 7.558 -2.044 -3.736 1.00 71.32 C ATOM 2077 NE ARG B 51 6.256 -2.074 -3.048 1.00 74.33 N ATOM 2078 CZ ARG B 51 5.743 -3.110 -2.417 1.00 74.02 C ATOM 2079 NH1 ARG B 51 6.329 -4.265 -2.432 1.00 54.51 N ATOM 2080 NH2 ARG B 51 4.599 -2.997 -1.826 1.00 60.32 N ATOM 0 H ARG B 51 6.437 2.052 -3.098 1.00 41.51 H new ATOM 0 HA ARG B 51 9.089 2.086 -2.026 1.00 14.13 H new ATOM 0 HB2 ARG B 51 8.983 -0.214 -2.095 1.00 35.21 H new ATOM 0 HB3 ARG B 51 7.272 0.167 -2.125 1.00 35.21 H new ATOM 0 HG2 ARG B 51 7.317 -0.114 -4.655 1.00 34.35 H new ATOM 0 HG3 ARG B 51 8.984 -0.639 -4.525 1.00 34.35 H new ATOM 0 HD2 ARG B 51 7.481 -2.579 -4.682 1.00 71.32 H new ATOM 0 HD3 ARG B 51 8.300 -2.567 -3.133 1.00 71.32 H new ATOM 0 HE ARG B 51 5.703 -1.217 -3.061 1.00 74.33 H new ATOM 0 HH11 ARG B 51 7.206 -4.386 -2.939 1.00 54.51 H new ATOM 0 HH12 ARG B 51 5.914 -5.054 -1.936 1.00 54.51 H new ATOM 0 HH21 ARG B 51 4.098 -2.109 -1.850 1.00 60.32 H new ATOM 0 HH22 ARG B 51 4.197 -3.796 -1.336 1.00 60.32 H new ATOM 2094 N GLU B 52 8.776 2.272 -5.289 1.00 42.13 N ATOM 2095 CA GLU B 52 9.445 2.539 -6.569 1.00 50.45 C ATOM 2096 C GLU B 52 10.045 3.959 -6.610 1.00 15.42 C ATOM 2097 O GLU B 52 10.896 4.233 -7.461 1.00 33.25 O ATOM 2098 CB GLU B 52 8.425 2.387 -7.726 1.00 62.33 C ATOM 2099 CG GLU B 52 7.776 1.000 -7.870 1.00 75.31 C ATOM 2100 CD GLU B 52 8.770 -0.097 -8.271 1.00 14.03 C ATOM 2101 OE1 GLU B 52 9.146 -0.160 -9.466 1.00 43.23 O ATOM 2102 OE2 GLU B 52 9.185 -0.904 -7.410 1.00 65.32 O ATOM 0 H GLU B 52 7.761 2.355 -5.337 1.00 42.13 H new ATOM 0 HA GLU B 52 10.257 1.820 -6.679 1.00 50.45 H new ATOM 0 HB2 GLU B 52 7.634 3.124 -7.587 1.00 62.33 H new ATOM 0 HB3 GLU B 52 8.927 2.631 -8.662 1.00 62.33 H new ATOM 0 HG2 GLU B 52 7.306 0.727 -6.925 1.00 75.31 H new ATOM 0 HG3 GLU B 52 6.984 1.053 -8.617 1.00 75.31 H new ATOM 2109 N ASP B 53 9.532 4.853 -5.723 1.00 4.34 N ATOM 2110 CA ASP B 53 9.838 6.312 -5.671 1.00 23.12 C ATOM 2111 C ASP B 53 9.653 7.018 -7.042 1.00 53.21 C ATOM 2112 O ASP B 53 10.224 8.080 -7.295 1.00 51.25 O ATOM 2113 CB ASP B 53 11.215 6.640 -4.986 1.00 2.53 C ATOM 2114 CG ASP B 53 12.472 6.093 -5.693 1.00 3.14 C ATOM 2115 OD1 ASP B 53 12.953 6.725 -6.665 1.00 73.12 O ATOM 2116 OD2 ASP B 53 12.999 5.031 -5.278 1.00 0.34 O ATOM 0 H ASP B 53 8.871 4.570 -4.999 1.00 4.34 H new ATOM 0 HA ASP B 53 9.084 6.743 -5.012 1.00 23.12 H new ATOM 0 HB2 ASP B 53 11.310 7.723 -4.907 1.00 2.53 H new ATOM 0 HB3 ASP B 53 11.195 6.247 -3.969 1.00 2.53 H new ATOM 2121 N LYS B 54 8.787 6.431 -7.896 1.00 22.11 N ATOM 2122 CA LYS B 54 8.459 6.974 -9.234 1.00 2.14 C ATOM 2123 C LYS B 54 7.297 7.989 -9.175 1.00 61.34 C ATOM 2124 O LYS B 54 6.928 8.545 -10.208 1.00 1.35 O ATOM 2125 CB LYS B 54 8.122 5.827 -10.228 1.00 13.55 C ATOM 2126 CG LYS B 54 9.304 4.881 -10.540 1.00 25.42 C ATOM 2127 CD LYS B 54 8.984 3.852 -11.654 1.00 55.33 C ATOM 2128 CE LYS B 54 7.836 2.889 -11.281 1.00 4.21 C ATOM 2129 NZ LYS B 54 7.551 1.914 -12.358 1.00 72.54 N ATOM 0 H LYS B 54 8.294 5.565 -7.677 1.00 22.11 H new ATOM 0 HA LYS B 54 9.343 7.502 -9.591 1.00 2.14 H new ATOM 0 HB2 LYS B 54 7.300 5.239 -9.819 1.00 13.55 H new ATOM 0 HB3 LYS B 54 7.767 6.265 -11.161 1.00 13.55 H new ATOM 0 HG2 LYS B 54 10.167 5.475 -10.840 1.00 25.42 H new ATOM 0 HG3 LYS B 54 9.584 4.348 -9.631 1.00 25.42 H new ATOM 0 HD2 LYS B 54 8.720 4.385 -12.567 1.00 55.33 H new ATOM 0 HD3 LYS B 54 9.880 3.271 -11.872 1.00 55.33 H new ATOM 0 HE2 LYS B 54 8.096 2.353 -10.368 1.00 4.21 H new ATOM 0 HE3 LYS B 54 6.936 3.465 -11.067 1.00 4.21 H new ATOM 0 HZ1 LYS B 54 6.774 1.289 -12.063 1.00 72.54 H new ATOM 0 HZ2 LYS B 54 7.277 2.422 -13.223 1.00 72.54 H new ATOM 0 HZ3 LYS B 54 8.401 1.345 -12.545 1.00 72.54 H new ATOM 2143 N VAL B 55 6.738 8.244 -7.968 1.00 61.24 N ATOM 2144 CA VAL B 55 5.659 9.250 -7.777 1.00 41.53 C ATOM 2145 C VAL B 55 5.923 10.193 -6.577 1.00 21.42 C ATOM 2146 O VAL B 55 6.764 9.923 -5.713 1.00 53.32 O ATOM 2147 CB VAL B 55 4.227 8.597 -7.611 1.00 12.12 C ATOM 2148 CG1 VAL B 55 3.813 7.800 -8.875 1.00 34.13 C ATOM 2149 CG2 VAL B 55 4.146 7.725 -6.327 1.00 62.13 C ATOM 0 H VAL B 55 7.015 7.768 -7.110 1.00 61.24 H new ATOM 0 HA VAL B 55 5.670 9.837 -8.695 1.00 41.53 H new ATOM 0 HB VAL B 55 3.509 9.409 -7.496 1.00 12.12 H new ATOM 0 HG11 VAL B 55 2.825 7.366 -8.724 1.00 34.13 H new ATOM 0 HG12 VAL B 55 3.788 8.469 -9.735 1.00 34.13 H new ATOM 0 HG13 VAL B 55 4.535 7.004 -9.056 1.00 34.13 H new ATOM 0 HG21 VAL B 55 3.149 7.292 -6.244 1.00 62.13 H new ATOM 0 HG22 VAL B 55 4.886 6.926 -6.382 1.00 62.13 H new ATOM 0 HG23 VAL B 55 4.346 8.345 -5.453 1.00 62.13 H new ATOM 2159 N VAL B 56 5.183 11.318 -6.577 1.00 44.13 N ATOM 2160 CA VAL B 56 5.054 12.249 -5.441 1.00 74.11 C ATOM 2161 C VAL B 56 3.544 12.514 -5.196 1.00 0.51 C ATOM 2162 O VAL B 56 2.792 12.765 -6.147 1.00 10.52 O ATOM 2163 CB VAL B 56 5.855 13.599 -5.688 1.00 12.22 C ATOM 2164 CG1 VAL B 56 5.427 14.304 -7.009 1.00 22.34 C ATOM 2165 CG2 VAL B 56 5.750 14.552 -4.462 1.00 63.41 C ATOM 0 H VAL B 56 4.643 11.612 -7.391 1.00 44.13 H new ATOM 0 HA VAL B 56 5.495 11.799 -4.552 1.00 74.11 H new ATOM 0 HB VAL B 56 6.905 13.332 -5.806 1.00 12.22 H new ATOM 0 HG11 VAL B 56 6.002 15.222 -7.134 1.00 22.34 H new ATOM 0 HG12 VAL B 56 5.615 13.640 -7.853 1.00 22.34 H new ATOM 0 HG13 VAL B 56 4.365 14.544 -6.966 1.00 22.34 H new ATOM 0 HG21 VAL B 56 6.309 15.466 -4.663 1.00 63.41 H new ATOM 0 HG22 VAL B 56 4.704 14.798 -4.281 1.00 63.41 H new ATOM 0 HG23 VAL B 56 6.164 14.060 -3.582 1.00 63.41 H new ATOM 2175 N THR B 57 3.102 12.440 -3.928 1.00 2.52 N ATOM 2176 CA THR B 57 1.664 12.504 -3.574 1.00 74.34 C ATOM 2177 C THR B 57 1.288 13.898 -3.027 1.00 34.21 C ATOM 2178 O THR B 57 2.135 14.629 -2.493 1.00 33.05 O ATOM 2179 CB THR B 57 1.277 11.424 -2.504 1.00 1.53 C ATOM 2180 OG1 THR B 57 1.883 11.750 -1.246 1.00 75.22 O ATOM 2181 CG2 THR B 57 1.715 10.004 -2.920 1.00 24.23 C ATOM 0 H THR B 57 3.721 12.335 -3.124 1.00 2.52 H new ATOM 0 HA THR B 57 1.111 12.307 -4.493 1.00 74.34 H new ATOM 0 HB THR B 57 0.190 11.429 -2.419 1.00 1.53 H new ATOM 0 HG1 THR B 57 1.205 11.723 -0.539 1.00 75.22 H new ATOM 0 HG21 THR B 57 1.425 9.293 -2.147 1.00 24.23 H new ATOM 0 HG22 THR B 57 1.233 9.735 -3.860 1.00 24.23 H new ATOM 0 HG23 THR B 57 2.797 9.980 -3.047 1.00 24.23 H new ATOM 2189 N SER B 58 0.005 14.237 -3.170 1.00 10.32 N ATOM 2190 CA SER B 58 -0.574 15.533 -2.752 1.00 4.21 C ATOM 2191 C SER B 58 -2.105 15.413 -2.687 1.00 72.21 C ATOM 2192 O SER B 58 -2.669 14.405 -3.115 1.00 11.41 O ATOM 2193 CB SER B 58 -0.182 16.653 -3.756 1.00 3.32 C ATOM 2194 OG SER B 58 -0.651 16.368 -5.071 1.00 5.14 O ATOM 0 H SER B 58 -0.683 13.610 -3.588 1.00 10.32 H new ATOM 0 HA SER B 58 -0.183 15.792 -1.768 1.00 4.21 H new ATOM 0 HB2 SER B 58 -0.595 17.604 -3.420 1.00 3.32 H new ATOM 0 HB3 SER B 58 0.902 16.764 -3.772 1.00 3.32 H new ATOM 0 HG SER B 58 -0.737 15.398 -5.185 1.00 5.14 H new ATOM 2200 N GLU B 59 -2.780 16.448 -2.165 1.00 42.02 N ATOM 2201 CA GLU B 59 -4.253 16.527 -2.201 1.00 74.43 C ATOM 2202 C GLU B 59 -4.671 17.696 -3.121 1.00 74.22 C ATOM 2203 O GLU B 59 -4.467 18.869 -2.779 1.00 42.43 O ATOM 2204 CB GLU B 59 -4.865 16.709 -0.785 1.00 50.11 C ATOM 2205 CG GLU B 59 -6.409 16.591 -0.768 1.00 34.23 C ATOM 2206 CD GLU B 59 -7.055 17.097 0.532 1.00 0.34 C ATOM 2207 OE1 GLU B 59 -7.181 16.319 1.500 1.00 53.55 O ATOM 2208 OE2 GLU B 59 -7.438 18.282 0.582 1.00 70.21 O ATOM 0 H GLU B 59 -2.331 17.244 -1.712 1.00 42.02 H new ATOM 0 HA GLU B 59 -4.636 15.585 -2.592 1.00 74.43 H new ATOM 0 HB2 GLU B 59 -4.442 15.961 -0.115 1.00 50.11 H new ATOM 0 HB3 GLU B 59 -4.577 17.685 -0.395 1.00 50.11 H new ATOM 0 HG2 GLU B 59 -6.816 17.153 -1.608 1.00 34.23 H new ATOM 0 HG3 GLU B 59 -6.686 15.548 -0.918 1.00 34.23 H new ATOM 2215 N VAL B 60 -5.219 17.366 -4.301 1.00 44.33 N ATOM 2216 CA VAL B 60 -5.754 18.352 -5.265 1.00 35.55 C ATOM 2217 C VAL B 60 -7.297 18.272 -5.299 1.00 31.13 C ATOM 2218 O VAL B 60 -7.874 17.211 -5.584 1.00 14.20 O ATOM 2219 CB VAL B 60 -5.132 18.142 -6.707 1.00 22.40 C ATOM 2220 CG1 VAL B 60 -5.884 18.920 -7.820 1.00 64.41 C ATOM 2221 CG2 VAL B 60 -3.630 18.525 -6.707 1.00 4.32 C ATOM 0 H VAL B 60 -5.306 16.401 -4.619 1.00 44.33 H new ATOM 0 HA VAL B 60 -5.467 19.351 -4.936 1.00 35.55 H new ATOM 0 HB VAL B 60 -5.243 17.083 -6.939 1.00 22.40 H new ATOM 0 HG11 VAL B 60 -5.406 18.732 -8.782 1.00 64.41 H new ATOM 0 HG12 VAL B 60 -6.921 18.588 -7.859 1.00 64.41 H new ATOM 0 HG13 VAL B 60 -5.853 19.988 -7.602 1.00 64.41 H new ATOM 0 HG21 VAL B 60 -3.216 18.375 -7.704 1.00 4.32 H new ATOM 0 HG22 VAL B 60 -3.521 19.572 -6.422 1.00 4.32 H new ATOM 0 HG23 VAL B 60 -3.095 17.898 -5.994 1.00 4.32 H new ATOM 2231 N GLU B 61 -7.931 19.420 -4.969 1.00 14.12 N ATOM 2232 CA GLU B 61 -9.398 19.644 -5.005 1.00 63.43 C ATOM 2233 C GLU B 61 -10.188 18.645 -4.108 1.00 33.32 C ATOM 2234 O GLU B 61 -11.365 18.355 -4.363 1.00 3.01 O ATOM 2235 CB GLU B 61 -9.886 19.623 -6.487 1.00 73.22 C ATOM 2236 CG GLU B 61 -9.089 20.560 -7.428 1.00 64.12 C ATOM 2237 CD GLU B 61 -9.197 22.051 -7.063 1.00 2.04 C ATOM 2238 OE1 GLU B 61 -10.234 22.677 -7.373 1.00 63.00 O ATOM 2239 OE2 GLU B 61 -8.245 22.604 -6.454 1.00 23.15 O ATOM 0 H GLU B 61 -7.419 20.246 -4.659 1.00 14.12 H new ATOM 0 HA GLU B 61 -9.603 20.626 -4.579 1.00 63.43 H new ATOM 0 HB2 GLU B 61 -9.820 18.603 -6.866 1.00 73.22 H new ATOM 0 HB3 GLU B 61 -10.938 19.906 -6.516 1.00 73.22 H new ATOM 0 HG2 GLU B 61 -8.039 20.267 -7.412 1.00 64.12 H new ATOM 0 HG3 GLU B 61 -9.443 20.420 -8.449 1.00 64.12 H new ATOM 2246 N GLY B 62 -9.539 18.185 -3.020 1.00 25.43 N ATOM 2247 CA GLY B 62 -10.161 17.271 -2.043 1.00 2.12 C ATOM 2248 C GLY B 62 -9.863 15.776 -2.269 1.00 70.53 C ATOM 2249 O GLY B 62 -10.277 14.940 -1.454 1.00 22.15 O ATOM 0 H GLY B 62 -8.576 18.435 -2.795 1.00 25.43 H new ATOM 0 HA2 GLY B 62 -9.823 17.546 -1.044 1.00 2.12 H new ATOM 0 HA3 GLY B 62 -11.241 17.418 -2.066 1.00 2.12 H new ATOM 2253 N GLU B 63 -9.134 15.429 -3.352 1.00 13.13 N ATOM 2254 CA GLU B 63 -8.782 14.015 -3.679 1.00 51.30 C ATOM 2255 C GLU B 63 -7.256 13.779 -3.660 1.00 22.14 C ATOM 2256 O GLU B 63 -6.464 14.717 -3.738 1.00 5.31 O ATOM 2257 CB GLU B 63 -9.326 13.597 -5.073 1.00 23.22 C ATOM 2258 CG GLU B 63 -10.857 13.533 -5.194 1.00 74.30 C ATOM 2259 CD GLU B 63 -11.296 12.847 -6.498 1.00 52.40 C ATOM 2260 OE1 GLU B 63 -11.078 13.422 -7.591 1.00 33.44 O ATOM 2261 OE2 GLU B 63 -11.821 11.716 -6.437 1.00 55.52 O ATOM 0 H GLU B 63 -8.773 16.107 -4.023 1.00 13.13 H new ATOM 0 HA GLU B 63 -9.249 13.405 -2.906 1.00 51.30 H new ATOM 0 HB2 GLU B 63 -8.949 14.300 -5.816 1.00 23.22 H new ATOM 0 HB3 GLU B 63 -8.918 12.618 -5.324 1.00 23.22 H new ATOM 0 HG2 GLU B 63 -11.267 12.991 -4.342 1.00 74.30 H new ATOM 0 HG3 GLU B 63 -11.267 14.542 -5.158 1.00 74.30 H new ATOM 2268 N ILE B 64 -6.874 12.488 -3.594 1.00 54.20 N ATOM 2269 CA ILE B 64 -5.472 12.046 -3.693 1.00 33.32 C ATOM 2270 C ILE B 64 -4.985 12.191 -5.158 1.00 70.23 C ATOM 2271 O ILE B 64 -5.569 11.606 -6.071 1.00 65.24 O ATOM 2272 CB ILE B 64 -5.313 10.548 -3.222 1.00 14.34 C ATOM 2273 CG1 ILE B 64 -5.852 10.372 -1.762 1.00 4.11 C ATOM 2274 CG2 ILE B 64 -3.840 10.071 -3.343 1.00 42.22 C ATOM 2275 CD1 ILE B 64 -5.891 8.929 -1.260 1.00 21.14 C ATOM 0 H ILE B 64 -7.534 11.720 -3.470 1.00 54.20 H new ATOM 0 HA ILE B 64 -4.866 12.673 -3.039 1.00 33.32 H new ATOM 0 HB ILE B 64 -5.911 9.919 -3.882 1.00 14.34 H new ATOM 0 HG12 ILE B 64 -5.229 10.959 -1.087 1.00 4.11 H new ATOM 0 HG13 ILE B 64 -6.859 10.787 -1.709 1.00 4.11 H new ATOM 0 HG21 ILE B 64 -3.764 9.036 -3.011 1.00 42.22 H new ATOM 0 HG22 ILE B 64 -3.518 10.143 -4.382 1.00 42.22 H new ATOM 0 HG23 ILE B 64 -3.202 10.699 -2.721 1.00 42.22 H new ATOM 0 HD11 ILE B 64 -6.278 8.909 -0.241 1.00 21.14 H new ATOM 0 HD12 ILE B 64 -6.539 8.336 -1.906 1.00 21.14 H new ATOM 0 HD13 ILE B 64 -4.884 8.511 -1.274 1.00 21.14 H new ATOM 2287 N PHE B 65 -3.916 12.969 -5.351 1.00 50.05 N ATOM 2288 CA PHE B 65 -3.349 13.288 -6.675 1.00 24.00 C ATOM 2289 C PHE B 65 -1.839 12.986 -6.673 1.00 22.51 C ATOM 2290 O PHE B 65 -1.099 13.475 -5.808 1.00 40.35 O ATOM 2291 CB PHE B 65 -3.604 14.782 -6.999 1.00 40.52 C ATOM 2292 CG PHE B 65 -3.139 15.250 -8.387 1.00 2.03 C ATOM 2293 CD1 PHE B 65 -3.989 15.180 -9.487 1.00 33.30 C ATOM 2294 CD2 PHE B 65 -1.856 15.771 -8.591 1.00 42.53 C ATOM 2295 CE1 PHE B 65 -3.581 15.612 -10.733 1.00 2.14 C ATOM 2296 CE2 PHE B 65 -1.454 16.204 -9.841 1.00 34.31 C ATOM 2297 CZ PHE B 65 -2.314 16.120 -10.910 1.00 4.31 C ATOM 0 H PHE B 65 -3.408 13.405 -4.582 1.00 50.05 H new ATOM 0 HA PHE B 65 -3.828 12.676 -7.440 1.00 24.00 H new ATOM 0 HB2 PHE B 65 -4.673 14.977 -6.909 1.00 40.52 H new ATOM 0 HB3 PHE B 65 -3.104 15.389 -6.244 1.00 40.52 H new ATOM 0 HD1 PHE B 65 -4.985 14.781 -9.364 1.00 33.30 H new ATOM 0 HD2 PHE B 65 -1.170 15.836 -7.760 1.00 42.53 H new ATOM 0 HE1 PHE B 65 -4.258 15.551 -11.572 1.00 2.14 H new ATOM 0 HE2 PHE B 65 -0.462 16.609 -9.978 1.00 34.31 H new ATOM 0 HZ PHE B 65 -1.996 16.452 -11.887 1.00 4.31 H new ATOM 2307 N VAL B 66 -1.382 12.207 -7.664 1.00 71.35 N ATOM 2308 CA VAL B 66 0.026 11.765 -7.767 1.00 71.12 C ATOM 2309 C VAL B 66 0.646 12.178 -9.118 1.00 64.32 C ATOM 2310 O VAL B 66 -0.044 12.252 -10.139 1.00 23.52 O ATOM 2311 CB VAL B 66 0.159 10.211 -7.546 1.00 51.42 C ATOM 2312 CG1 VAL B 66 -0.249 9.831 -6.099 1.00 62.54 C ATOM 2313 CG2 VAL B 66 -0.673 9.421 -8.593 1.00 34.34 C ATOM 0 H VAL B 66 -1.974 11.863 -8.420 1.00 71.35 H new ATOM 0 HA VAL B 66 0.581 12.266 -6.973 1.00 71.12 H new ATOM 0 HB VAL B 66 1.204 9.935 -7.687 1.00 51.42 H new ATOM 0 HG11 VAL B 66 -0.151 8.754 -5.964 1.00 62.54 H new ATOM 0 HG12 VAL B 66 0.400 10.346 -5.391 1.00 62.54 H new ATOM 0 HG13 VAL B 66 -1.284 10.126 -5.923 1.00 62.54 H new ATOM 0 HG21 VAL B 66 -0.561 8.352 -8.415 1.00 34.34 H new ATOM 0 HG22 VAL B 66 -1.724 9.696 -8.505 1.00 34.34 H new ATOM 0 HG23 VAL B 66 -0.318 9.661 -9.595 1.00 34.34 H new ATOM 2323 N LYS B 67 1.959 12.462 -9.094 1.00 64.20 N ATOM 2324 CA LYS B 67 2.741 12.935 -10.268 1.00 30.43 C ATOM 2325 C LYS B 67 3.997 12.056 -10.413 1.00 31.21 C ATOM 2326 O LYS B 67 4.502 11.586 -9.404 1.00 22.32 O ATOM 2327 CB LYS B 67 3.199 14.406 -10.033 1.00 63.52 C ATOM 2328 CG LYS B 67 2.111 15.364 -9.510 1.00 21.13 C ATOM 2329 CD LYS B 67 2.694 16.707 -9.001 1.00 72.11 C ATOM 2330 CE LYS B 67 1.628 17.592 -8.333 1.00 21.11 C ATOM 2331 NZ LYS B 67 0.959 16.894 -7.202 1.00 40.31 N ATOM 0 H LYS B 67 2.523 12.371 -8.249 1.00 64.20 H new ATOM 0 HA LYS B 67 2.123 12.877 -11.164 1.00 30.43 H new ATOM 0 HB2 LYS B 67 4.026 14.402 -9.323 1.00 63.52 H new ATOM 0 HB3 LYS B 67 3.586 14.802 -10.972 1.00 63.52 H new ATOM 0 HG2 LYS B 67 1.393 15.562 -10.306 1.00 21.13 H new ATOM 0 HG3 LYS B 67 1.564 14.880 -8.701 1.00 21.13 H new ATOM 0 HD2 LYS B 67 3.494 16.506 -8.289 1.00 72.11 H new ATOM 0 HD3 LYS B 67 3.139 17.247 -9.837 1.00 72.11 H new ATOM 0 HE2 LYS B 67 2.092 18.509 -7.970 1.00 21.11 H new ATOM 0 HE3 LYS B 67 0.882 17.883 -9.073 1.00 21.11 H new ATOM 0 HZ1 LYS B 67 0.259 17.529 -6.767 1.00 40.31 H new ATOM 0 HZ2 LYS B 67 0.480 16.041 -7.555 1.00 40.31 H new ATOM 0 HZ3 LYS B 67 1.669 16.623 -6.492 1.00 40.31 H new ATOM 2345 N LEU B 68 4.536 11.866 -11.634 1.00 32.54 N ATOM 2346 CA LEU B 68 5.802 11.104 -11.819 1.00 54.04 C ATOM 2347 C LEU B 68 7.042 11.951 -11.428 1.00 33.14 C ATOM 2348 O LEU B 68 7.774 12.430 -12.297 1.00 2.32 O ATOM 2349 CB LEU B 68 5.934 10.560 -13.272 1.00 50.20 C ATOM 2350 CG LEU B 68 4.868 9.510 -13.724 1.00 21.11 C ATOM 2351 CD1 LEU B 68 5.194 8.959 -15.130 1.00 13.25 C ATOM 2352 CD2 LEU B 68 4.711 8.371 -12.688 1.00 12.43 C ATOM 0 H LEU B 68 4.127 12.221 -12.499 1.00 32.54 H new ATOM 0 HA LEU B 68 5.761 10.248 -11.146 1.00 54.04 H new ATOM 0 HB2 LEU B 68 5.892 11.406 -13.958 1.00 50.20 H new ATOM 0 HB3 LEU B 68 6.922 10.111 -13.380 1.00 50.20 H new ATOM 0 HG LEU B 68 3.907 10.021 -13.783 1.00 21.11 H new ATOM 0 HD11 LEU B 68 4.437 8.231 -15.420 1.00 13.25 H new ATOM 0 HD12 LEU B 68 5.203 9.778 -15.849 1.00 13.25 H new ATOM 0 HD13 LEU B 68 6.172 8.479 -15.115 1.00 13.25 H new ATOM 0 HD21 LEU B 68 3.961 7.661 -13.038 1.00 12.43 H new ATOM 0 HD22 LEU B 68 5.665 7.859 -12.563 1.00 12.43 H new ATOM 0 HD23 LEU B 68 4.396 8.789 -11.732 1.00 12.43 H new ATOM 2364 N VAL B 69 7.234 12.147 -10.093 1.00 61.20 N ATOM 2365 CA VAL B 69 8.347 12.956 -9.496 1.00 14.04 C ATOM 2366 C VAL B 69 8.441 14.384 -10.148 1.00 15.22 C ATOM 2367 O VAL B 69 9.509 15.006 -10.222 1.00 44.50 O ATOM 2368 CB VAL B 69 9.729 12.156 -9.554 1.00 14.21 C ATOM 2369 CG1 VAL B 69 10.868 12.829 -8.727 1.00 35.55 C ATOM 2370 CG2 VAL B 69 9.538 10.696 -9.089 1.00 43.52 C ATOM 0 H VAL B 69 6.615 11.745 -9.389 1.00 61.20 H new ATOM 0 HA VAL B 69 8.120 13.120 -8.442 1.00 14.04 H new ATOM 0 HB VAL B 69 10.040 12.172 -10.598 1.00 14.21 H new ATOM 0 HG11 VAL B 69 11.778 12.234 -8.810 1.00 35.55 H new ATOM 0 HG12 VAL B 69 11.054 13.832 -9.112 1.00 35.55 H new ATOM 0 HG13 VAL B 69 10.570 12.892 -7.681 1.00 35.55 H new ATOM 0 HG21 VAL B 69 10.492 10.171 -9.137 1.00 43.52 H new ATOM 0 HG22 VAL B 69 9.170 10.686 -8.063 1.00 43.52 H new ATOM 0 HG23 VAL B 69 8.817 10.199 -9.738 1.00 43.52 H new ATOM 2380 N LEU B 70 7.277 14.902 -10.592 1.00 30.24 N ATOM 2381 CA LEU B 70 7.179 16.223 -11.243 1.00 52.21 C ATOM 2382 C LEU B 70 7.350 17.347 -10.204 1.00 0.34 C ATOM 2383 O LEU B 70 6.732 17.306 -9.125 1.00 1.41 O ATOM 2384 CB LEU B 70 5.821 16.365 -11.987 1.00 54.23 C ATOM 2385 CG LEU B 70 5.526 15.278 -13.073 1.00 14.11 C ATOM 2386 CD1 LEU B 70 4.133 15.475 -13.702 1.00 31.22 C ATOM 2387 CD2 LEU B 70 6.636 15.227 -14.151 1.00 44.32 C ATOM 0 H LEU B 70 6.383 14.418 -10.509 1.00 30.24 H new ATOM 0 HA LEU B 70 7.980 16.308 -11.977 1.00 52.21 H new ATOM 0 HB2 LEU B 70 5.019 16.342 -11.249 1.00 54.23 H new ATOM 0 HB3 LEU B 70 5.789 17.345 -12.462 1.00 54.23 H new ATOM 0 HG LEU B 70 5.524 14.311 -12.570 1.00 14.11 H new ATOM 0 HD11 LEU B 70 3.960 14.703 -14.452 1.00 31.22 H new ATOM 0 HD12 LEU B 70 3.370 15.405 -12.926 1.00 31.22 H new ATOM 0 HD13 LEU B 70 4.082 16.457 -14.173 1.00 31.22 H new ATOM 0 HD21 LEU B 70 6.394 14.460 -14.886 1.00 44.32 H new ATOM 0 HD22 LEU B 70 6.707 16.195 -14.647 1.00 44.32 H new ATOM 0 HD23 LEU B 70 7.590 14.990 -13.680 1.00 44.32 H new ATOM 2399 N GLU B 71 8.205 18.331 -10.533 1.00 50.43 N ATOM 2400 CA GLU B 71 8.560 19.434 -9.622 1.00 12.41 C ATOM 2401 C GLU B 71 7.360 20.399 -9.436 1.00 31.32 C ATOM 2402 O GLU B 71 7.144 21.308 -10.248 1.00 45.33 O ATOM 2403 CB GLU B 71 9.817 20.193 -10.152 1.00 22.21 C ATOM 2404 CG GLU B 71 10.431 21.216 -9.166 1.00 24.55 C ATOM 2405 CD GLU B 71 11.164 20.565 -7.974 1.00 51.25 C ATOM 2406 OE1 GLU B 71 10.499 20.026 -7.069 1.00 70.43 O ATOM 2407 OE2 GLU B 71 12.413 20.598 -7.932 1.00 11.43 O ATOM 0 H GLU B 71 8.670 18.384 -11.439 1.00 50.43 H new ATOM 0 HA GLU B 71 8.804 19.015 -8.646 1.00 12.41 H new ATOM 0 HB2 GLU B 71 10.581 19.461 -10.414 1.00 22.21 H new ATOM 0 HB3 GLU B 71 9.547 20.714 -11.070 1.00 22.21 H new ATOM 0 HG2 GLU B 71 11.130 21.854 -9.707 1.00 24.55 H new ATOM 0 HG3 GLU B 71 9.639 21.861 -8.786 1.00 24.55 H new ATOM 2414 N HIS B 72 6.564 20.167 -8.371 1.00 33.01 N ATOM 2415 CA HIS B 72 5.339 20.951 -8.094 1.00 34.33 C ATOM 2416 C HIS B 72 4.997 20.920 -6.577 1.00 62.32 C ATOM 2417 O HIS B 72 5.464 20.034 -5.852 1.00 5.42 O ATOM 2418 CB HIS B 72 4.168 20.415 -8.966 1.00 4.32 C ATOM 2419 CG HIS B 72 2.998 21.354 -9.099 1.00 53.12 C ATOM 2420 ND1 HIS B 72 2.940 22.342 -10.059 1.00 1.22 N ATOM 2421 CD2 HIS B 72 1.840 21.450 -8.402 1.00 2.25 C ATOM 2422 CE1 HIS B 72 1.805 22.999 -9.947 1.00 71.50 C ATOM 2423 NE2 HIS B 72 1.120 22.479 -8.952 1.00 54.12 N ATOM 0 H HIS B 72 6.749 19.437 -7.683 1.00 33.01 H new ATOM 0 HA HIS B 72 5.509 21.994 -8.360 1.00 34.33 H new ATOM 0 HB2 HIS B 72 4.549 20.189 -9.962 1.00 4.32 H new ATOM 0 HB3 HIS B 72 3.816 19.476 -8.539 1.00 4.32 H new ATOM 0 HD2 HIS B 72 1.540 20.832 -7.569 1.00 2.25 H new ATOM 0 HE1 HIS B 72 1.490 23.825 -10.567 1.00 71.50 H new ATOM 0 HE2 HIS B 72 0.201 22.791 -8.640 1.00 54.12 H new ATOM 2432 N HIS B 73 4.204 21.927 -6.126 1.00 24.43 N ATOM 2433 CA HIS B 73 3.764 22.131 -4.711 1.00 53.34 C ATOM 2434 C HIS B 73 4.869 22.781 -3.821 1.00 44.31 C ATOM 2435 O HIS B 73 4.663 23.018 -2.627 1.00 32.11 O ATOM 2436 CB HIS B 73 3.171 20.821 -4.087 1.00 4.22 C ATOM 2437 CG HIS B 73 2.490 20.985 -2.742 1.00 63.21 C ATOM 2438 ND1 HIS B 73 1.272 21.619 -2.583 1.00 21.12 N ATOM 2439 CD2 HIS B 73 2.878 20.624 -1.489 1.00 63.40 C ATOM 2440 CE1 HIS B 73 0.948 21.644 -1.303 1.00 60.14 C ATOM 2441 NE2 HIS B 73 1.901 21.046 -0.620 1.00 51.14 N ATOM 0 H HIS B 73 3.839 22.644 -6.753 1.00 24.43 H new ATOM 0 HA HIS B 73 2.950 22.856 -4.740 1.00 53.34 H new ATOM 0 HB2 HIS B 73 2.452 20.399 -4.789 1.00 4.22 H new ATOM 0 HB3 HIS B 73 3.976 20.094 -3.980 1.00 4.22 H new ATOM 0 HD2 HIS B 73 3.786 20.102 -1.226 1.00 63.40 H new ATOM 0 HE1 HIS B 73 0.052 22.081 -0.887 1.00 60.14 H new ATOM 0 HE2 HIS B 73 1.912 20.917 0.392 1.00 51.14 H new ATOM 2450 N HIS B 74 6.024 23.123 -4.426 1.00 14.11 N ATOM 2451 CA HIS B 74 7.100 23.885 -3.739 1.00 41.14 C ATOM 2452 C HIS B 74 6.780 25.400 -3.784 1.00 10.51 C ATOM 2453 O HIS B 74 6.095 25.865 -4.709 1.00 71.43 O ATOM 2454 CB HIS B 74 8.478 23.602 -4.386 1.00 42.44 C ATOM 2455 CG HIS B 74 8.921 22.163 -4.298 1.00 75.32 C ATOM 2456 ND1 HIS B 74 10.023 21.762 -3.581 1.00 43.23 N ATOM 2457 CD2 HIS B 74 8.414 21.035 -4.848 1.00 41.45 C ATOM 2458 CE1 HIS B 74 10.176 20.462 -3.690 1.00 25.13 C ATOM 2459 NE2 HIS B 74 9.216 19.990 -4.457 1.00 22.52 N ATOM 0 H HIS B 74 6.241 22.885 -5.394 1.00 14.11 H new ATOM 0 HA HIS B 74 7.146 23.562 -2.699 1.00 41.14 H new ATOM 0 HB2 HIS B 74 8.441 23.895 -5.435 1.00 42.44 H new ATOM 0 HB3 HIS B 74 9.228 24.231 -3.906 1.00 42.44 H new ATOM 0 HD2 HIS B 74 7.540 20.968 -5.478 1.00 41.45 H new ATOM 0 HE1 HIS B 74 10.958 19.878 -3.228 1.00 25.13 H new ATOM 0 HE2 HIS B 74 9.089 19.012 -4.718 1.00 22.52 H new ATOM 2468 N HIS B 75 7.306 26.150 -2.787 1.00 51.12 N ATOM 2469 CA HIS B 75 7.019 27.597 -2.551 1.00 53.22 C ATOM 2470 C HIS B 75 5.574 27.816 -2.034 1.00 53.33 C ATOM 2471 O HIS B 75 5.374 28.267 -0.898 1.00 52.13 O ATOM 2472 CB HIS B 75 7.296 28.488 -3.800 1.00 63.21 C ATOM 2473 CG HIS B 75 8.722 28.454 -4.288 1.00 23.21 C ATOM 2474 ND1 HIS B 75 9.662 29.403 -3.947 1.00 60.22 N ATOM 2475 CD2 HIS B 75 9.359 27.591 -5.117 1.00 43.34 C ATOM 2476 CE1 HIS B 75 10.803 29.126 -4.537 1.00 35.53 C ATOM 2477 NE2 HIS B 75 10.650 28.035 -5.252 1.00 1.31 N ATOM 0 H HIS B 75 7.958 25.763 -2.105 1.00 51.12 H new ATOM 0 HA HIS B 75 7.716 27.914 -1.775 1.00 53.22 H new ATOM 0 HB2 HIS B 75 6.640 28.170 -4.610 1.00 63.21 H new ATOM 0 HB3 HIS B 75 7.031 29.518 -3.562 1.00 63.21 H new ATOM 0 HD2 HIS B 75 8.930 26.717 -5.584 1.00 43.34 H new ATOM 0 HE1 HIS B 75 11.714 29.699 -4.449 1.00 35.53 H new ATOM 0 HE2 HIS B 75 11.374 27.590 -5.816 1.00 1.31 H new ATOM 2486 N HIS B 76 4.572 27.494 -2.881 1.00 14.32 N ATOM 2487 CA HIS B 76 3.146 27.603 -2.521 1.00 24.41 C ATOM 2488 C HIS B 76 2.728 26.436 -1.592 1.00 33.10 C ATOM 2489 O HIS B 76 2.439 25.324 -2.050 1.00 13.03 O ATOM 2490 CB HIS B 76 2.257 27.655 -3.797 1.00 3.31 C ATOM 2491 CG HIS B 76 0.806 27.979 -3.522 1.00 63.43 C ATOM 2492 ND1 HIS B 76 0.335 29.271 -3.431 1.00 62.23 N ATOM 2493 CD2 HIS B 76 -0.273 27.179 -3.309 1.00 72.43 C ATOM 2494 CE1 HIS B 76 -0.959 29.254 -3.179 1.00 74.21 C ATOM 2495 NE2 HIS B 76 -1.351 28.002 -3.098 1.00 60.22 N ATOM 0 H HIS B 76 4.731 27.153 -3.829 1.00 14.32 H new ATOM 0 HA HIS B 76 2.998 28.535 -1.976 1.00 24.41 H new ATOM 0 HB2 HIS B 76 2.662 28.402 -4.480 1.00 3.31 H new ATOM 0 HB3 HIS B 76 2.314 26.693 -4.306 1.00 3.31 H new ATOM 0 HD2 HIS B 76 -0.280 26.099 -3.306 1.00 72.43 H new ATOM 0 HE1 HIS B 76 -1.590 30.122 -3.059 1.00 74.21 H new ATOM 0 HE2 HIS B 76 -2.304 27.692 -2.909 1.00 60.22 H new ATOM 2504 N HIS B 77 2.727 26.718 -0.283 1.00 41.31 N ATOM 2505 CA HIS B 77 2.305 25.773 0.773 1.00 32.54 C ATOM 2506 C HIS B 77 0.879 26.102 1.260 1.00 54.02 C ATOM 2507 O HIS B 77 -0.027 26.343 0.460 1.00 2.03 O ATOM 2508 CB HIS B 77 3.329 25.820 1.945 1.00 22.32 C ATOM 2509 CG HIS B 77 3.587 27.205 2.495 1.00 34.33 C ATOM 2510 ND1 HIS B 77 4.482 28.083 1.913 1.00 44.00 N ATOM 2511 CD2 HIS B 77 3.073 27.863 3.567 1.00 13.22 C ATOM 2512 CE1 HIS B 77 4.502 29.210 2.593 1.00 73.11 C ATOM 2513 NE2 HIS B 77 3.660 29.103 3.597 1.00 13.33 N ATOM 0 H HIS B 77 3.023 27.622 0.084 1.00 41.31 H new ATOM 0 HA HIS B 77 2.284 24.762 0.367 1.00 32.54 H new ATOM 0 HB2 HIS B 77 2.968 25.183 2.753 1.00 22.32 H new ATOM 0 HB3 HIS B 77 4.273 25.396 1.603 1.00 22.32 H new ATOM 0 HD1 HIS B 77 5.042 27.887 1.083 1.00 44.00 H new ATOM 0 HD2 HIS B 77 2.341 27.482 4.264 1.00 13.22 H new ATOM 0 HE1 HIS B 77 5.107 30.075 2.365 1.00 73.11 H new TER 2522 HIS B 77