USER MOD reduce.3.24.130724 H: found=0, std=0, add=1288, rem=0, adj=34 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: A 58 SER OG : rot -70:sc= 0.822 USER MOD Set 1.2: A 67 LYS NZ :NH3+ -173:sc= 1.01 (180deg=0.0146) USER MOD Set 2.1: A 57 THR OG1 : rot -122:sc= -0.731 USER MOD Set 2.2: B 3 MET CE :methyl 180:sc= -0.221 (180deg=-0.221) USER MOD Set 3.1: A 22 THR OG1 : rot -47:sc= 0.655 USER MOD Set 3.2: A 77 HIS : no HE2:sc= 0.519 K(o=1.2,f=-2.7) USER MOD Set 4.1: A 20 ASN : amide:sc= -0.785 K(o=-0.79,f=-0.014) USER MOD Set 4.2: A 74 HIS : no HE2:sc= 0 X(o=-0.79,f=-0.42) USER MOD Set 5.1: A 3 MET CE :methyl 169:sc= -0.0594 (180deg=-0.0993) USER MOD Set 5.2: B 57 THR OG1 : rot 20:sc= -1.44 USER MOD Single : A 1 MET CE :methyl -171:sc= 0 (180deg=-0.136) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -145:sc= 0.486 (180deg=0.0587) USER MOD Single : A 5 LYS NZ :NH3+ -114:sc= 0.237 (180deg=-0.258) USER MOD Single : A 7 LYS NZ :NH3+ -140:sc= -0.101 (180deg=-1.54!) USER MOD Single : A 14 GLN : amide:sc= -0.809 K(o=-0.81,f=-5.4!) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.709 USER MOD Single : A 27 GLN : amide:sc= 1.11 K(o=1.1,f=-4.5!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.0195 X(o=-0.02,f=-0.29) USER MOD Single : A 31 LYS NZ :NH3+ 157:sc= -0.023! (180deg=-1.08!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot -78:sc= -1.39 USER MOD Single : A 35 LYS NZ :NH3+ -162:sc= 0.0213 (180deg=-0.0179) USER MOD Single : A 37 LYS NZ :NH3+ 170:sc=-0.00185 (180deg=-0.125) USER MOD Single : A 40 LYS NZ :NH3+ 173:sc= -0.0157 (180deg=-0.094) USER MOD Single : A 54 LYS NZ :NH3+ -173:sc= 0.359 (180deg=0.337) USER MOD Single : A 72 HIS : no HD1:sc=-0.00527 X(o=-0.0053,f=-0.0053) USER MOD Single : A 73 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 HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ -169:sc=-0.00444 (180deg=-0.165) USER MOD Single : B 2 LYS NZ :NH3+ 171:sc=-0.00084 (180deg=-0.119) USER MOD Single : B 5 LYS NZ :NH3+ 149:sc= 0.407! (180deg=-0.389) USER MOD Single : B 7 LYS NZ :NH3+ -153:sc= -0.189 (180deg=-2.48!) USER MOD Single : B 14 GLN : amide:sc= -2.27! K(o=-2.3!,f=-0.079) USER MOD Single : B 20 ASN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : B 22 THR OG1 : rot -37:sc= 0.821 USER MOD Single : B 26 THR OG1 : rot 180:sc= -0.406 USER MOD Single : B 27 GLN : amide:sc= -1.11 K(o=-1.1,f=-5.4!) USER MOD Single : B 28 LYS NZ :NH3+ -164:sc= -0.0613 (180deg=-0.304) USER MOD Single : B 29 GLN : amide:sc= -0.362 K(o=-0.36,f=-4.1!) USER MOD Single : B 31 LYS NZ :NH3+ -157:sc= 0.199 (180deg=0.0726) USER MOD Single : B 32 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0821) USER MOD Single : B 34 THR OG1 : rot -4:sc= -0.355 USER MOD Single : B 35 LYS NZ :NH3+ 166:sc=-0.00769 (180deg=-0.185) USER MOD Single : B 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 40 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00789) USER MOD Single : B 54 LYS NZ :NH3+ -126:sc= 0.511 (180deg=-0.146) USER MOD Single : B 58 SER OG : rot 180:sc= -0.0376 USER MOD Single : B 67 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.147) USER MOD Single : B 72 HIS : no HD1:sc= -0.54 K(o=-0.54,f=-1.1) USER MOD Single : B 73 HIS : no HD1:sc= 0 X(o=0,f=-0.0046) USER MOD Single : B 74 HIS : no HD1:sc= 0 X(o=0,f=-0.045) USER MOD Single : B 75 HIS : no HD1:sc= 0 X(o=0,f=-0.016) USER MOD Single : B 76 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 77 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.971 18.482 5.628 1.00 74.30 N ATOM 2 CA MET A 1 7.101 18.098 4.481 1.00 4.22 C ATOM 3 C MET A 1 6.459 16.712 4.763 1.00 21.45 C ATOM 4 O MET A 1 7.170 15.701 4.830 1.00 65.44 O ATOM 5 CB MET A 1 7.951 18.098 3.170 1.00 40.31 C ATOM 6 CG MET A 1 7.168 17.960 1.852 1.00 61.32 C ATOM 7 SD MET A 1 6.425 16.329 1.620 1.00 32.01 S ATOM 8 CE MET A 1 5.754 16.470 -0.039 1.00 12.05 C ATOM 0 H1 MET A 1 8.402 19.410 5.441 1.00 74.30 H new ATOM 0 H2 MET A 1 7.399 18.534 6.495 1.00 74.30 H new ATOM 0 H3 MET A 1 8.720 17.771 5.749 1.00 74.30 H new ATOM 0 HA MET A 1 6.292 18.817 4.354 1.00 4.22 H new ATOM 0 HB2 MET A 1 8.523 19.025 3.133 1.00 40.31 H new ATOM 0 HB3 MET A 1 8.670 17.281 3.228 1.00 40.31 H new ATOM 0 HG2 MET A 1 6.382 18.715 1.825 1.00 61.32 H new ATOM 0 HG3 MET A 1 7.838 18.167 1.018 1.00 61.32 H new ATOM 0 HE1 MET A 1 5.131 15.602 -0.255 1.00 12.05 H new ATOM 0 HE2 MET A 1 5.152 17.376 -0.112 1.00 12.05 H new ATOM 0 HE3 MET A 1 6.571 16.519 -0.759 1.00 12.05 H new ATOM 20 N LYS A 2 5.117 16.676 4.954 1.00 61.00 N ATOM 21 CA LYS A 2 4.369 15.424 5.261 1.00 34.41 C ATOM 22 C LYS A 2 4.098 14.600 3.962 1.00 10.42 C ATOM 23 O LYS A 2 3.033 14.681 3.337 1.00 35.35 O ATOM 24 CB LYS A 2 3.055 15.738 6.051 1.00 2.12 C ATOM 25 CG LYS A 2 2.078 16.726 5.362 1.00 64.44 C ATOM 26 CD LYS A 2 0.681 16.756 6.027 1.00 13.02 C ATOM 27 CE LYS A 2 -0.338 17.567 5.213 1.00 74.14 C ATOM 28 NZ LYS A 2 -1.712 17.477 5.771 1.00 53.41 N ATOM 0 H LYS A 2 4.524 17.504 4.901 1.00 61.00 H new ATOM 0 HA LYS A 2 4.989 14.802 5.907 1.00 34.41 H new ATOM 0 HB2 LYS A 2 2.528 14.801 6.232 1.00 2.12 H new ATOM 0 HB3 LYS A 2 3.327 16.144 7.025 1.00 2.12 H new ATOM 0 HG2 LYS A 2 2.507 17.728 5.385 1.00 64.44 H new ATOM 0 HG3 LYS A 2 1.969 16.449 4.313 1.00 64.44 H new ATOM 0 HD2 LYS A 2 0.317 15.736 6.147 1.00 13.02 H new ATOM 0 HD3 LYS A 2 0.766 17.183 7.026 1.00 13.02 H new ATOM 0 HE2 LYS A 2 -0.028 18.612 5.186 1.00 74.14 H new ATOM 0 HE3 LYS A 2 -0.343 17.209 4.183 1.00 74.14 H new ATOM 0 HZ1 LYS A 2 -2.403 17.485 4.994 1.00 53.41 H new ATOM 0 HZ2 LYS A 2 -1.810 16.594 6.312 1.00 53.41 H new ATOM 0 HZ3 LYS A 2 -1.886 18.289 6.398 1.00 53.41 H new ATOM 42 N MET A 3 5.114 13.833 3.539 1.00 73.11 N ATOM 43 CA MET A 3 5.075 13.041 2.286 1.00 0.15 C ATOM 44 C MET A 3 4.292 11.710 2.517 1.00 20.24 C ATOM 45 O MET A 3 4.407 11.096 3.585 1.00 61.45 O ATOM 46 CB MET A 3 6.549 12.791 1.812 1.00 43.14 C ATOM 47 CG MET A 3 6.797 12.744 0.293 1.00 63.43 C ATOM 48 SD MET A 3 6.019 11.340 -0.523 1.00 63.13 S ATOM 49 CE MET A 3 6.813 11.385 -2.136 1.00 44.22 C ATOM 0 H MET A 3 5.990 13.740 4.052 1.00 73.11 H new ATOM 0 HA MET A 3 4.547 13.584 1.502 1.00 0.15 H new ATOM 0 HB2 MET A 3 7.178 13.575 2.234 1.00 43.14 H new ATOM 0 HB3 MET A 3 6.887 11.847 2.240 1.00 43.14 H new ATOM 0 HG2 MET A 3 6.426 13.665 -0.156 1.00 63.43 H new ATOM 0 HG3 MET A 3 7.871 12.710 0.110 1.00 63.43 H new ATOM 0 HE1 MET A 3 6.582 10.470 -2.681 1.00 44.22 H new ATOM 0 HE2 MET A 3 6.447 12.244 -2.698 1.00 44.22 H new ATOM 0 HE3 MET A 3 7.892 11.469 -2.008 1.00 44.22 H new ATOM 59 N LEU A 4 3.488 11.284 1.516 1.00 2.33 N ATOM 60 CA LEU A 4 2.690 10.017 1.574 1.00 62.34 C ATOM 61 C LEU A 4 3.645 8.792 1.709 1.00 0.31 C ATOM 62 O LEU A 4 3.330 7.808 2.384 1.00 55.22 O ATOM 63 CB LEU A 4 1.786 9.926 0.292 1.00 1.41 C ATOM 64 CG LEU A 4 0.552 8.945 0.260 1.00 4.42 C ATOM 65 CD1 LEU A 4 0.952 7.458 0.216 1.00 11.43 C ATOM 66 CD2 LEU A 4 -0.423 9.237 1.415 1.00 5.03 C ATOM 0 H LEU A 4 3.368 11.800 0.644 1.00 2.33 H new ATOM 0 HA LEU A 4 2.041 10.015 2.449 1.00 62.34 H new ATOM 0 HB2 LEU A 4 1.407 10.928 0.092 1.00 1.41 H new ATOM 0 HB3 LEU A 4 2.434 9.657 -0.542 1.00 1.41 H new ATOM 0 HG LEU A 4 0.034 9.139 -0.679 1.00 4.42 H new ATOM 0 HD11 LEU A 4 0.054 6.840 0.196 1.00 11.43 H new ATOM 0 HD12 LEU A 4 1.544 7.267 -0.679 1.00 11.43 H new ATOM 0 HD13 LEU A 4 1.541 7.213 1.100 1.00 11.43 H new ATOM 0 HD21 LEU A 4 -1.263 8.544 1.366 1.00 5.03 H new ATOM 0 HD22 LEU A 4 0.093 9.114 2.367 1.00 5.03 H new ATOM 0 HD23 LEU A 4 -0.791 10.260 1.331 1.00 5.03 H new ATOM 78 N LYS A 5 4.827 8.898 1.084 1.00 50.54 N ATOM 79 CA LYS A 5 5.891 7.879 1.173 1.00 4.24 C ATOM 80 C LYS A 5 6.491 7.809 2.604 1.00 12.22 C ATOM 81 O LYS A 5 6.818 6.726 3.104 1.00 20.53 O ATOM 82 CB LYS A 5 6.996 8.207 0.131 1.00 44.34 C ATOM 83 CG LYS A 5 8.032 7.089 -0.064 1.00 22.13 C ATOM 84 CD LYS A 5 9.077 7.399 -1.159 1.00 73.43 C ATOM 85 CE LYS A 5 10.006 6.201 -1.419 1.00 74.24 C ATOM 86 NZ LYS A 5 10.987 6.467 -2.493 1.00 50.11 N ATOM 0 H LYS A 5 5.076 9.696 0.499 1.00 50.54 H new ATOM 0 HA LYS A 5 5.461 6.901 0.956 1.00 4.24 H new ATOM 0 HB2 LYS A 5 6.523 8.420 -0.828 1.00 44.34 H new ATOM 0 HB3 LYS A 5 7.513 9.116 0.440 1.00 44.34 H new ATOM 0 HG2 LYS A 5 8.548 6.914 0.880 1.00 22.13 H new ATOM 0 HG3 LYS A 5 7.513 6.165 -0.319 1.00 22.13 H new ATOM 0 HD2 LYS A 5 8.566 7.669 -2.083 1.00 73.43 H new ATOM 0 HD3 LYS A 5 9.672 8.262 -0.860 1.00 73.43 H new ATOM 0 HE2 LYS A 5 10.537 5.951 -0.500 1.00 74.24 H new ATOM 0 HE3 LYS A 5 9.406 5.331 -1.687 1.00 74.24 H new ATOM 0 HZ1 LYS A 5 10.790 5.847 -3.304 1.00 50.11 H new ATOM 0 HZ2 LYS A 5 10.914 7.461 -2.791 1.00 50.11 H new ATOM 0 HZ3 LYS A 5 11.947 6.281 -2.140 1.00 50.11 H new ATOM 100 N GLU A 6 6.608 8.987 3.255 1.00 15.44 N ATOM 101 CA GLU A 6 7.162 9.106 4.619 1.00 2.03 C ATOM 102 C GLU A 6 6.248 8.479 5.691 1.00 71.13 C ATOM 103 O GLU A 6 6.744 7.807 6.602 1.00 72.42 O ATOM 104 CB GLU A 6 7.456 10.589 4.969 1.00 60.33 C ATOM 105 CG GLU A 6 8.682 11.188 4.251 1.00 23.21 C ATOM 106 CD GLU A 6 10.003 10.462 4.582 1.00 20.23 C ATOM 107 OE1 GLU A 6 10.533 10.659 5.698 1.00 23.44 O ATOM 108 OE2 GLU A 6 10.511 9.689 3.735 1.00 61.04 O ATOM 0 H GLU A 6 6.322 9.878 2.850 1.00 15.44 H new ATOM 0 HA GLU A 6 8.096 8.544 4.622 1.00 2.03 H new ATOM 0 HB2 GLU A 6 6.579 11.187 4.722 1.00 60.33 H new ATOM 0 HB3 GLU A 6 7.606 10.672 6.045 1.00 60.33 H new ATOM 0 HG2 GLU A 6 8.516 11.152 3.174 1.00 23.21 H new ATOM 0 HG3 GLU A 6 8.776 12.239 4.524 1.00 23.21 H new ATOM 115 N LYS A 7 4.919 8.706 5.591 1.00 34.50 N ATOM 116 CA LYS A 7 3.959 8.104 6.548 1.00 3.31 C ATOM 117 C LYS A 7 3.899 6.565 6.393 1.00 72.20 C ATOM 118 O LYS A 7 3.893 5.848 7.385 1.00 53.02 O ATOM 119 CB LYS A 7 2.539 8.718 6.413 1.00 65.20 C ATOM 120 CG LYS A 7 1.846 8.467 5.057 1.00 61.51 C ATOM 121 CD LYS A 7 0.328 8.750 5.050 1.00 63.51 C ATOM 122 CE LYS A 7 -0.052 10.239 5.187 1.00 31.12 C ATOM 123 NZ LYS A 7 0.124 10.764 6.567 1.00 32.22 N ATOM 0 H LYS A 7 4.491 9.290 4.872 1.00 34.50 H new ATOM 0 HA LYS A 7 4.326 8.336 7.548 1.00 3.31 H new ATOM 0 HB2 LYS A 7 1.909 8.316 7.206 1.00 65.20 H new ATOM 0 HB3 LYS A 7 2.608 9.794 6.575 1.00 65.20 H new ATOM 0 HG2 LYS A 7 2.322 9.090 4.300 1.00 61.51 H new ATOM 0 HG3 LYS A 7 2.010 7.429 4.766 1.00 61.51 H new ATOM 0 HD2 LYS A 7 -0.095 8.365 4.122 1.00 63.51 H new ATOM 0 HD3 LYS A 7 -0.135 8.195 5.866 1.00 63.51 H new ATOM 0 HE2 LYS A 7 0.557 10.827 4.501 1.00 31.12 H new ATOM 0 HE3 LYS A 7 -1.091 10.372 4.885 1.00 31.12 H new ATOM 0 HZ1 LYS A 7 -0.667 11.397 6.801 1.00 32.22 H new ATOM 0 HZ2 LYS A 7 0.144 9.971 7.240 1.00 32.22 H new ATOM 0 HZ3 LYS A 7 1.019 11.291 6.627 1.00 32.22 H new ATOM 137 N ALA A 8 3.897 6.075 5.133 1.00 32.44 N ATOM 138 CA ALA A 8 3.896 4.623 4.822 1.00 0.22 C ATOM 139 C ALA A 8 5.146 3.925 5.408 1.00 71.04 C ATOM 140 O ALA A 8 5.068 2.817 5.949 1.00 75.03 O ATOM 141 CB ALA A 8 3.819 4.418 3.302 1.00 11.53 C ATOM 0 H ALA A 8 3.896 6.670 4.305 1.00 32.44 H new ATOM 0 HA ALA A 8 3.020 4.169 5.286 1.00 0.22 H new ATOM 0 HB1 ALA A 8 3.819 3.351 3.078 1.00 11.53 H new ATOM 0 HB2 ALA A 8 2.903 4.869 2.920 1.00 11.53 H new ATOM 0 HB3 ALA A 8 4.680 4.888 2.827 1.00 11.53 H new ATOM 147 N GLY A 9 6.289 4.627 5.311 1.00 4.41 N ATOM 148 CA GLY A 9 7.558 4.164 5.889 1.00 74.23 C ATOM 149 C GLY A 9 7.583 4.183 7.425 1.00 11.51 C ATOM 150 O GLY A 9 8.160 3.289 8.059 1.00 2.23 O ATOM 0 H GLY A 9 6.357 5.525 4.832 1.00 4.41 H new ATOM 0 HA2 GLY A 9 7.755 3.149 5.544 1.00 74.23 H new ATOM 0 HA3 GLY A 9 8.367 4.790 5.514 1.00 74.23 H new ATOM 154 N ALA A 10 6.962 5.222 8.014 1.00 34.44 N ATOM 155 CA ALA A 10 6.866 5.395 9.482 1.00 32.02 C ATOM 156 C ALA A 10 6.014 4.279 10.136 1.00 32.30 C ATOM 157 O ALA A 10 6.455 3.609 11.083 1.00 33.44 O ATOM 158 CB ALA A 10 6.276 6.778 9.812 1.00 20.30 C ATOM 0 H ALA A 10 6.510 5.969 7.487 1.00 34.44 H new ATOM 0 HA ALA A 10 7.873 5.324 9.893 1.00 32.02 H new ATOM 0 HB1 ALA A 10 6.209 6.896 10.893 1.00 20.30 H new ATOM 0 HB2 ALA A 10 6.920 7.556 9.401 1.00 20.30 H new ATOM 0 HB3 ALA A 10 5.281 6.863 9.376 1.00 20.30 H new ATOM 164 N LEU A 11 4.798 4.073 9.589 1.00 32.34 N ATOM 165 CA LEU A 11 3.844 3.035 10.054 1.00 4.32 C ATOM 166 C LEU A 11 4.446 1.615 9.909 1.00 55.43 C ATOM 167 O LEU A 11 4.192 0.738 10.730 1.00 14.22 O ATOM 168 CB LEU A 11 2.515 3.144 9.249 1.00 63.21 C ATOM 169 CG LEU A 11 1.800 4.535 9.294 1.00 42.12 C ATOM 170 CD1 LEU A 11 0.593 4.583 8.337 1.00 12.32 C ATOM 171 CD2 LEU A 11 1.404 4.929 10.733 1.00 20.23 C ATOM 0 H LEU A 11 4.445 4.624 8.807 1.00 32.34 H new ATOM 0 HA LEU A 11 3.640 3.204 11.111 1.00 4.32 H new ATOM 0 HB2 LEU A 11 2.722 2.898 8.208 1.00 63.21 H new ATOM 0 HB3 LEU A 11 1.823 2.389 9.623 1.00 63.21 H new ATOM 0 HG LEU A 11 2.518 5.278 8.946 1.00 42.12 H new ATOM 0 HD11 LEU A 11 0.121 5.564 8.395 1.00 12.32 H new ATOM 0 HD12 LEU A 11 0.930 4.403 7.316 1.00 12.32 H new ATOM 0 HD13 LEU A 11 -0.128 3.816 8.622 1.00 12.32 H new ATOM 0 HD21 LEU A 11 0.910 5.901 10.721 1.00 20.23 H new ATOM 0 HD22 LEU A 11 0.724 4.181 11.141 1.00 20.23 H new ATOM 0 HD23 LEU A 11 2.298 4.984 11.354 1.00 20.23 H new ATOM 183 N ALA A 12 5.278 1.428 8.872 1.00 25.20 N ATOM 184 CA ALA A 12 5.990 0.158 8.607 1.00 33.43 C ATOM 185 C ALA A 12 6.934 -0.264 9.762 1.00 2.43 C ATOM 186 O ALA A 12 7.012 -1.450 10.107 1.00 52.21 O ATOM 187 CB ALA A 12 6.791 0.286 7.313 1.00 35.23 C ATOM 0 H ALA A 12 5.480 2.156 8.187 1.00 25.20 H new ATOM 0 HA ALA A 12 5.232 -0.620 8.518 1.00 33.43 H new ATOM 0 HB1 ALA A 12 7.316 -0.649 7.116 1.00 35.23 H new ATOM 0 HB2 ALA A 12 6.115 0.503 6.486 1.00 35.23 H new ATOM 0 HB3 ALA A 12 7.515 1.095 7.412 1.00 35.23 H new ATOM 193 N GLY A 13 7.642 0.726 10.335 1.00 1.54 N ATOM 194 CA GLY A 13 8.595 0.492 11.432 1.00 41.22 C ATOM 195 C GLY A 13 7.967 -0.106 12.699 1.00 22.11 C ATOM 196 O GLY A 13 8.460 -1.107 13.237 1.00 71.23 O ATOM 0 H GLY A 13 7.570 1.703 10.052 1.00 1.54 H new ATOM 0 HA2 GLY A 13 9.380 -0.177 11.079 1.00 41.22 H new ATOM 0 HA3 GLY A 13 9.074 1.437 11.689 1.00 41.22 H new ATOM 200 N GLN A 14 6.865 0.513 13.163 1.00 62.43 N ATOM 201 CA GLN A 14 6.125 0.059 14.368 1.00 43.20 C ATOM 202 C GLN A 14 5.409 -1.304 14.137 1.00 72.42 C ATOM 203 O GLN A 14 5.353 -2.138 15.048 1.00 25.24 O ATOM 204 CB GLN A 14 5.109 1.146 14.832 1.00 64.01 C ATOM 205 CG GLN A 14 4.089 1.582 13.767 1.00 61.00 C ATOM 206 CD GLN A 14 3.106 2.648 14.251 1.00 1.32 C ATOM 207 OE1 GLN A 14 2.041 2.341 14.764 1.00 42.14 O ATOM 208 NE2 GLN A 14 3.461 3.913 14.113 1.00 14.30 N ATOM 0 H GLN A 14 6.460 1.338 12.720 1.00 62.43 H new ATOM 0 HA GLN A 14 6.859 -0.094 15.160 1.00 43.20 H new ATOM 0 HB2 GLN A 14 4.567 0.768 15.699 1.00 64.01 H new ATOM 0 HB3 GLN A 14 5.665 2.024 15.161 1.00 64.01 H new ATOM 0 HG2 GLN A 14 4.626 1.964 12.899 1.00 61.00 H new ATOM 0 HG3 GLN A 14 3.528 0.708 13.436 1.00 61.00 H new ATOM 0 HE21 GLN A 14 4.355 4.148 13.682 1.00 14.30 H new ATOM 0 HE22 GLN A 14 2.841 4.655 14.438 1.00 14.30 H new ATOM 217 N ILE A 15 4.874 -1.522 12.910 1.00 21.45 N ATOM 218 CA ILE A 15 4.192 -2.793 12.534 1.00 20.31 C ATOM 219 C ILE A 15 5.176 -3.987 12.548 1.00 4.44 C ATOM 220 O ILE A 15 4.866 -5.049 13.104 1.00 40.43 O ATOM 221 CB ILE A 15 3.464 -2.671 11.131 1.00 42.41 C ATOM 222 CG1 ILE A 15 2.274 -1.661 11.224 1.00 21.13 C ATOM 223 CG2 ILE A 15 2.969 -4.041 10.599 1.00 34.45 C ATOM 224 CD1 ILE A 15 1.540 -1.405 9.913 1.00 12.10 C ATOM 0 H ILE A 15 4.900 -0.833 12.159 1.00 21.45 H new ATOM 0 HA ILE A 15 3.427 -2.984 13.286 1.00 20.31 H new ATOM 0 HB ILE A 15 4.200 -2.298 10.418 1.00 42.41 H new ATOM 0 HG12 ILE A 15 1.558 -2.033 11.957 1.00 21.13 H new ATOM 0 HG13 ILE A 15 2.652 -0.711 11.602 1.00 21.13 H new ATOM 0 HG21 ILE A 15 2.478 -3.901 9.636 1.00 34.45 H new ATOM 0 HG22 ILE A 15 3.819 -4.713 10.479 1.00 34.45 H new ATOM 0 HG23 ILE A 15 2.262 -4.473 11.308 1.00 34.45 H new ATOM 0 HD11 ILE A 15 0.733 -0.692 10.081 1.00 12.10 H new ATOM 0 HD12 ILE A 15 2.236 -0.999 9.179 1.00 12.10 H new ATOM 0 HD13 ILE A 15 1.125 -2.341 9.540 1.00 12.10 H new ATOM 236 N TRP A 16 6.373 -3.780 11.970 1.00 13.31 N ATOM 237 CA TRP A 16 7.440 -4.804 11.937 1.00 13.04 C ATOM 238 C TRP A 16 7.896 -5.193 13.364 1.00 35.32 C ATOM 239 O TRP A 16 8.050 -6.373 13.679 1.00 0.24 O ATOM 240 CB TRP A 16 8.664 -4.303 11.120 1.00 11.35 C ATOM 241 CG TRP A 16 9.723 -5.372 10.920 1.00 34.45 C ATOM 242 CD1 TRP A 16 9.750 -6.297 9.924 1.00 1.42 C ATOM 243 CD2 TRP A 16 10.868 -5.649 11.750 1.00 51.43 C ATOM 244 NE1 TRP A 16 10.841 -7.114 10.063 1.00 75.40 N ATOM 245 CE2 TRP A 16 11.539 -6.741 11.179 1.00 42.43 C ATOM 246 CE3 TRP A 16 11.393 -5.066 12.911 1.00 0.34 C ATOM 247 CZ2 TRP A 16 12.700 -7.278 11.732 1.00 15.43 C ATOM 248 CZ3 TRP A 16 12.540 -5.599 13.465 1.00 4.25 C ATOM 249 CH2 TRP A 16 13.188 -6.692 12.872 1.00 42.31 C ATOM 0 H TRP A 16 6.630 -2.904 11.514 1.00 13.31 H new ATOM 0 HA TRP A 16 7.023 -5.687 11.453 1.00 13.04 H new ATOM 0 HB2 TRP A 16 8.324 -3.950 10.146 1.00 11.35 H new ATOM 0 HB3 TRP A 16 9.110 -3.449 11.631 1.00 11.35 H new ATOM 0 HD1 TRP A 16 9.016 -6.376 9.136 1.00 1.42 H new ATOM 0 HE1 TRP A 16 11.092 -7.878 9.435 1.00 75.40 H new ATOM 0 HE3 TRP A 16 10.909 -4.214 13.365 1.00 0.34 H new ATOM 0 HZ2 TRP A 16 13.197 -8.124 11.280 1.00 15.43 H new ATOM 0 HZ3 TRP A 16 12.944 -5.167 14.369 1.00 4.25 H new ATOM 0 HH2 TRP A 16 14.090 -7.080 13.322 1.00 42.31 H new ATOM 260 N GLU A 17 8.113 -4.168 14.203 1.00 64.22 N ATOM 261 CA GLU A 17 8.631 -4.327 15.583 1.00 33.15 C ATOM 262 C GLU A 17 7.611 -5.101 16.471 1.00 1.13 C ATOM 263 O GLU A 17 7.996 -5.958 17.279 1.00 60.11 O ATOM 264 CB GLU A 17 8.964 -2.911 16.168 1.00 35.31 C ATOM 265 CG GLU A 17 10.073 -2.859 17.251 1.00 62.31 C ATOM 266 CD GLU A 17 9.718 -3.565 18.572 1.00 53.33 C ATOM 267 OE1 GLU A 17 8.805 -3.086 19.282 1.00 45.20 O ATOM 268 OE2 GLU A 17 10.345 -4.594 18.909 1.00 23.32 O ATOM 0 H GLU A 17 7.935 -3.197 13.947 1.00 64.22 H new ATOM 0 HA GLU A 17 9.545 -4.920 15.569 1.00 33.15 H new ATOM 0 HB2 GLU A 17 9.259 -2.261 15.344 1.00 35.31 H new ATOM 0 HB3 GLU A 17 8.051 -2.493 16.592 1.00 35.31 H new ATOM 0 HG2 GLU A 17 10.979 -3.311 16.846 1.00 62.31 H new ATOM 0 HG3 GLU A 17 10.305 -1.815 17.464 1.00 62.31 H new ATOM 275 N ALA A 18 6.309 -4.802 16.284 1.00 53.11 N ATOM 276 CA ALA A 18 5.198 -5.504 16.985 1.00 73.42 C ATOM 277 C ALA A 18 5.103 -6.997 16.573 1.00 21.04 C ATOM 278 O ALA A 18 4.729 -7.859 17.379 1.00 3.04 O ATOM 279 CB ALA A 18 3.865 -4.788 16.709 1.00 2.13 C ATOM 0 H ALA A 18 5.992 -4.071 15.647 1.00 53.11 H new ATOM 0 HA ALA A 18 5.410 -5.474 18.054 1.00 73.42 H new ATOM 0 HB1 ALA A 18 3.059 -5.309 17.226 1.00 2.13 H new ATOM 0 HB2 ALA A 18 3.923 -3.761 17.068 1.00 2.13 H new ATOM 0 HB3 ALA A 18 3.668 -4.787 15.637 1.00 2.13 H new ATOM 285 N LEU A 19 5.439 -7.282 15.307 1.00 23.24 N ATOM 286 CA LEU A 19 5.476 -8.653 14.752 1.00 70.01 C ATOM 287 C LEU A 19 6.833 -9.360 15.019 1.00 32.31 C ATOM 288 O LEU A 19 6.939 -10.581 14.835 1.00 51.11 O ATOM 289 CB LEU A 19 5.197 -8.588 13.228 1.00 62.13 C ATOM 290 CG LEU A 19 3.755 -8.168 12.811 1.00 64.11 C ATOM 291 CD1 LEU A 19 3.668 -7.905 11.290 1.00 35.33 C ATOM 292 CD2 LEU A 19 2.731 -9.232 13.266 1.00 50.54 C ATOM 0 H LEU A 19 5.696 -6.565 14.629 1.00 23.24 H new ATOM 0 HA LEU A 19 4.708 -9.243 15.253 1.00 70.01 H new ATOM 0 HB2 LEU A 19 5.901 -7.887 12.780 1.00 62.13 H new ATOM 0 HB3 LEU A 19 5.406 -9.568 12.799 1.00 62.13 H new ATOM 0 HG LEU A 19 3.510 -7.232 13.312 1.00 64.11 H new ATOM 0 HD11 LEU A 19 2.651 -7.614 11.029 1.00 35.33 H new ATOM 0 HD12 LEU A 19 4.356 -7.104 11.019 1.00 35.33 H new ATOM 0 HD13 LEU A 19 3.936 -8.812 10.748 1.00 35.33 H new ATOM 0 HD21 LEU A 19 1.729 -8.924 12.967 1.00 50.54 H new ATOM 0 HD22 LEU A 19 2.970 -10.189 12.802 1.00 50.54 H new ATOM 0 HD23 LEU A 19 2.771 -9.335 14.350 1.00 50.54 H new ATOM 304 N ASN A 20 7.874 -8.589 15.402 1.00 14.44 N ATOM 305 CA ASN A 20 9.223 -9.140 15.671 1.00 21.42 C ATOM 306 C ASN A 20 9.224 -10.061 16.920 1.00 42.11 C ATOM 307 O ASN A 20 8.907 -9.621 18.026 1.00 0.30 O ATOM 308 CB ASN A 20 10.262 -7.994 15.821 1.00 55.24 C ATOM 309 CG ASN A 20 11.710 -8.465 15.689 1.00 10.24 C ATOM 310 OD1 ASN A 20 12.598 -8.013 16.398 1.00 22.02 O ATOM 311 ND2 ASN A 20 11.969 -9.326 14.721 1.00 21.31 N ATOM 0 H ASN A 20 7.807 -7.580 15.533 1.00 14.44 H new ATOM 0 HA ASN A 20 9.509 -9.753 14.816 1.00 21.42 H new ATOM 0 HB2 ASN A 20 10.065 -7.234 15.065 1.00 55.24 H new ATOM 0 HB3 ASN A 20 10.130 -7.519 16.793 1.00 55.24 H new ATOM 0 HD21 ASN A 20 12.928 -9.629 14.551 1.00 21.31 H new ATOM 0 HD22 ASN A 20 11.210 -9.688 14.144 1.00 21.31 H new ATOM 318 N GLY A 21 9.586 -11.342 16.705 1.00 70.13 N ATOM 319 CA GLY A 21 9.517 -12.378 17.751 1.00 62.10 C ATOM 320 C GLY A 21 8.102 -12.943 17.976 1.00 63.21 C ATOM 321 O GLY A 21 7.861 -13.647 18.959 1.00 44.35 O ATOM 0 H GLY A 21 9.932 -11.684 15.808 1.00 70.13 H new ATOM 0 HA2 GLY A 21 10.186 -13.196 17.484 1.00 62.10 H new ATOM 0 HA3 GLY A 21 9.884 -11.959 18.688 1.00 62.10 H new ATOM 325 N THR A 22 7.170 -12.635 17.054 1.00 23.43 N ATOM 326 CA THR A 22 5.766 -13.129 17.105 1.00 31.11 C ATOM 327 C THR A 22 5.538 -14.228 16.032 1.00 54.54 C ATOM 328 O THR A 22 6.142 -14.184 14.953 1.00 42.31 O ATOM 329 CB THR A 22 4.738 -11.957 16.871 1.00 14.24 C ATOM 330 OG1 THR A 22 5.069 -10.833 17.700 1.00 31.21 O ATOM 331 CG2 THR A 22 3.283 -12.370 17.164 1.00 23.04 C ATOM 0 H THR A 22 7.362 -12.037 16.250 1.00 23.43 H new ATOM 0 HA THR A 22 5.602 -13.547 18.098 1.00 31.11 H new ATOM 0 HB THR A 22 4.809 -11.694 15.816 1.00 14.24 H new ATOM 0 HG1 THR A 22 5.241 -11.140 18.615 1.00 31.21 H new ATOM 0 HG21 THR A 22 2.621 -11.523 16.985 1.00 23.04 H new ATOM 0 HG22 THR A 22 3.000 -13.195 16.510 1.00 23.04 H new ATOM 0 HG23 THR A 22 3.197 -12.685 18.204 1.00 23.04 H new ATOM 339 N GLU A 23 4.662 -15.209 16.342 1.00 31.53 N ATOM 340 CA GLU A 23 4.232 -16.264 15.382 1.00 22.44 C ATOM 341 C GLU A 23 3.557 -15.659 14.113 1.00 50.32 C ATOM 342 O GLU A 23 3.678 -16.189 13.002 1.00 54.14 O ATOM 343 CB GLU A 23 3.228 -17.230 16.077 1.00 73.41 C ATOM 344 CG GLU A 23 3.669 -17.774 17.457 1.00 41.33 C ATOM 345 CD GLU A 23 4.952 -18.629 17.422 1.00 24.15 C ATOM 346 OE1 GLU A 23 4.851 -19.856 17.194 1.00 63.52 O ATOM 347 OE2 GLU A 23 6.061 -18.082 17.628 1.00 12.31 O ATOM 0 H GLU A 23 4.230 -15.297 17.262 1.00 31.53 H new ATOM 0 HA GLU A 23 5.126 -16.803 15.068 1.00 22.44 H new ATOM 0 HB2 GLU A 23 2.277 -16.711 16.198 1.00 73.41 H new ATOM 0 HB3 GLU A 23 3.047 -18.076 15.414 1.00 73.41 H new ATOM 0 HG2 GLU A 23 3.825 -16.933 18.133 1.00 41.33 H new ATOM 0 HG3 GLU A 23 2.859 -18.372 17.874 1.00 41.33 H new ATOM 354 N GLY A 24 2.853 -14.537 14.319 1.00 63.24 N ATOM 355 CA GLY A 24 2.041 -13.882 13.289 1.00 45.32 C ATOM 356 C GLY A 24 0.738 -13.344 13.881 1.00 2.14 C ATOM 357 O GLY A 24 0.139 -13.991 14.749 1.00 52.54 O ATOM 0 H GLY A 24 2.833 -14.055 15.217 1.00 63.24 H new ATOM 0 HA2 GLY A 24 2.606 -13.065 12.840 1.00 45.32 H new ATOM 0 HA3 GLY A 24 1.817 -14.591 12.492 1.00 45.32 H new ATOM 361 N LEU A 25 0.285 -12.164 13.425 1.00 62.02 N ATOM 362 CA LEU A 25 -0.955 -11.516 13.932 1.00 64.35 C ATOM 363 C LEU A 25 -1.874 -11.119 12.758 1.00 42.11 C ATOM 364 O LEU A 25 -1.392 -10.847 11.660 1.00 42.20 O ATOM 365 CB LEU A 25 -0.616 -10.258 14.783 1.00 73.12 C ATOM 366 CG LEU A 25 0.148 -10.495 16.125 1.00 4.44 C ATOM 367 CD1 LEU A 25 0.508 -9.154 16.802 1.00 32.03 C ATOM 368 CD2 LEU A 25 -0.659 -11.407 17.078 1.00 71.30 C ATOM 0 H LEU A 25 0.759 -11.628 12.698 1.00 62.02 H new ATOM 0 HA LEU A 25 -1.475 -12.235 14.565 1.00 64.35 H new ATOM 0 HB2 LEU A 25 -0.020 -9.584 14.168 1.00 73.12 H new ATOM 0 HB3 LEU A 25 -1.548 -9.741 15.011 1.00 73.12 H new ATOM 0 HG LEU A 25 1.080 -11.010 15.891 1.00 4.44 H new ATOM 0 HD11 LEU A 25 1.039 -9.348 17.734 1.00 32.03 H new ATOM 0 HD12 LEU A 25 1.144 -8.570 16.137 1.00 32.03 H new ATOM 0 HD13 LEU A 25 -0.405 -8.597 17.014 1.00 32.03 H new ATOM 0 HD21 LEU A 25 -0.100 -11.552 18.002 1.00 71.30 H new ATOM 0 HD22 LEU A 25 -1.618 -10.940 17.303 1.00 71.30 H new ATOM 0 HD23 LEU A 25 -0.829 -12.372 16.601 1.00 71.30 H new ATOM 380 N THR A 26 -3.203 -11.080 13.000 1.00 64.31 N ATOM 381 CA THR A 26 -4.177 -10.574 11.998 1.00 70.22 C ATOM 382 C THR A 26 -4.100 -9.034 11.906 1.00 30.32 C ATOM 383 O THR A 26 -3.562 -8.376 12.807 1.00 63.53 O ATOM 384 CB THR A 26 -5.656 -10.978 12.329 1.00 1.22 C ATOM 385 OG1 THR A 26 -6.099 -10.317 13.527 1.00 60.40 O ATOM 386 CG2 THR A 26 -5.821 -12.501 12.496 1.00 25.42 C ATOM 0 H THR A 26 -3.627 -11.390 13.874 1.00 64.31 H new ATOM 0 HA THR A 26 -3.903 -11.033 11.048 1.00 70.22 H new ATOM 0 HB THR A 26 -6.267 -10.664 11.483 1.00 1.22 H new ATOM 0 HG1 THR A 26 -7.024 -10.577 13.721 1.00 60.40 H new ATOM 0 HG21 THR A 26 -6.862 -12.731 12.724 1.00 25.42 H new ATOM 0 HG22 THR A 26 -5.533 -13.002 11.572 1.00 25.42 H new ATOM 0 HG23 THR A 26 -5.185 -12.849 13.310 1.00 25.42 H new ATOM 394 N GLN A 27 -4.673 -8.464 10.826 1.00 15.55 N ATOM 395 CA GLN A 27 -4.694 -7.000 10.596 1.00 53.23 C ATOM 396 C GLN A 27 -5.291 -6.221 11.801 1.00 10.13 C ATOM 397 O GLN A 27 -4.867 -5.111 12.104 1.00 52.11 O ATOM 398 CB GLN A 27 -5.465 -6.694 9.285 1.00 60.31 C ATOM 399 CG GLN A 27 -6.942 -7.140 9.266 1.00 72.44 C ATOM 400 CD GLN A 27 -7.608 -6.961 7.899 1.00 14.53 C ATOM 401 OE1 GLN A 27 -7.627 -7.868 7.082 1.00 73.01 O ATOM 402 NE2 GLN A 27 -8.135 -5.784 7.628 1.00 71.45 N ATOM 0 H GLN A 27 -5.133 -9.001 10.090 1.00 15.55 H new ATOM 0 HA GLN A 27 -3.665 -6.656 10.494 1.00 53.23 H new ATOM 0 HB2 GLN A 27 -5.425 -5.620 9.102 1.00 60.31 H new ATOM 0 HB3 GLN A 27 -4.946 -7.178 8.457 1.00 60.31 H new ATOM 0 HG2 GLN A 27 -7.002 -8.188 9.558 1.00 72.44 H new ATOM 0 HG3 GLN A 27 -7.497 -6.570 10.011 1.00 72.44 H new ATOM 0 HE21 GLN A 27 -8.108 -5.040 8.326 1.00 71.45 H new ATOM 0 HE22 GLN A 27 -8.570 -5.617 6.721 1.00 71.45 H new ATOM 411 N LYS A 28 -6.266 -6.841 12.479 1.00 71.11 N ATOM 412 CA LYS A 28 -6.883 -6.308 13.718 1.00 33.21 C ATOM 413 C LYS A 28 -5.898 -6.329 14.921 1.00 71.25 C ATOM 414 O LYS A 28 -5.751 -5.323 15.630 1.00 70.12 O ATOM 415 CB LYS A 28 -8.160 -7.121 14.039 1.00 45.33 C ATOM 416 CG LYS A 28 -9.187 -7.141 12.884 1.00 11.24 C ATOM 417 CD LYS A 28 -10.420 -8.014 13.186 1.00 24.23 C ATOM 418 CE LYS A 28 -11.280 -7.475 14.343 1.00 53.02 C ATOM 419 NZ LYS A 28 -12.406 -8.390 14.660 1.00 33.15 N ATOM 0 H LYS A 28 -6.658 -7.736 12.186 1.00 71.11 H new ATOM 0 HA LYS A 28 -7.144 -5.263 13.549 1.00 33.21 H new ATOM 0 HB2 LYS A 28 -7.877 -8.146 14.280 1.00 45.33 H new ATOM 0 HB3 LYS A 28 -8.633 -6.703 14.928 1.00 45.33 H new ATOM 0 HG2 LYS A 28 -9.513 -6.121 12.678 1.00 11.24 H new ATOM 0 HG3 LYS A 28 -8.701 -7.509 11.980 1.00 11.24 H new ATOM 0 HD2 LYS A 28 -11.034 -8.085 12.289 1.00 24.23 H new ATOM 0 HD3 LYS A 28 -10.090 -9.024 13.428 1.00 24.23 H new ATOM 0 HE2 LYS A 28 -10.658 -7.342 15.228 1.00 53.02 H new ATOM 0 HE3 LYS A 28 -11.672 -6.493 14.079 1.00 53.02 H new ATOM 0 HZ1 LYS A 28 -12.964 -7.995 15.444 1.00 33.15 H new ATOM 0 HZ2 LYS A 28 -13.013 -8.497 13.822 1.00 33.15 H new ATOM 0 HZ3 LYS A 28 -12.031 -9.320 14.936 1.00 33.15 H new ATOM 433 N GLN A 29 -5.215 -7.475 15.116 1.00 31.33 N ATOM 434 CA GLN A 29 -4.294 -7.703 16.267 1.00 61.14 C ATOM 435 C GLN A 29 -3.059 -6.774 16.240 1.00 12.31 C ATOM 436 O GLN A 29 -2.640 -6.250 17.282 1.00 54.41 O ATOM 437 CB GLN A 29 -3.844 -9.186 16.305 1.00 44.24 C ATOM 438 CG GLN A 29 -4.985 -10.189 16.555 1.00 54.40 C ATOM 439 CD GLN A 29 -5.660 -10.035 17.928 1.00 64.32 C ATOM 440 OE1 GLN A 29 -5.034 -9.651 18.914 1.00 2.15 O ATOM 441 NE2 GLN A 29 -6.947 -10.329 18.006 1.00 14.32 N ATOM 0 H GLN A 29 -5.281 -8.273 14.485 1.00 31.33 H new ATOM 0 HA GLN A 29 -4.852 -7.463 17.172 1.00 61.14 H new ATOM 0 HB2 GLN A 29 -3.361 -9.431 15.359 1.00 44.24 H new ATOM 0 HB3 GLN A 29 -3.093 -9.306 17.086 1.00 44.24 H new ATOM 0 HG2 GLN A 29 -5.738 -10.070 15.776 1.00 54.40 H new ATOM 0 HG3 GLN A 29 -4.592 -11.202 16.466 1.00 54.40 H new ATOM 0 HE21 GLN A 29 -7.449 -10.646 17.177 1.00 14.32 H new ATOM 0 HE22 GLN A 29 -7.438 -10.239 18.896 1.00 14.32 H new ATOM 450 N ILE A 30 -2.487 -6.581 15.037 1.00 4.23 N ATOM 451 CA ILE A 30 -1.304 -5.710 14.829 1.00 64.34 C ATOM 452 C ILE A 30 -1.601 -4.247 15.232 1.00 25.11 C ATOM 453 O ILE A 30 -0.826 -3.633 15.961 1.00 63.14 O ATOM 454 CB ILE A 30 -0.826 -5.752 13.330 1.00 34.25 C ATOM 455 CG1 ILE A 30 -0.522 -7.216 12.900 1.00 21.24 C ATOM 456 CG2 ILE A 30 0.406 -4.842 13.098 1.00 64.24 C ATOM 457 CD1 ILE A 30 -0.192 -7.410 11.431 1.00 11.23 C ATOM 0 H ILE A 30 -2.827 -7.021 14.182 1.00 4.23 H new ATOM 0 HA ILE A 30 -0.509 -6.095 15.468 1.00 64.34 H new ATOM 0 HB ILE A 30 -1.635 -5.367 12.710 1.00 34.25 H new ATOM 0 HG12 ILE A 30 0.314 -7.585 13.494 1.00 21.24 H new ATOM 0 HG13 ILE A 30 -1.385 -7.835 13.146 1.00 21.24 H new ATOM 0 HG21 ILE A 30 0.707 -4.897 12.052 1.00 64.24 H new ATOM 0 HG22 ILE A 30 0.150 -3.812 13.348 1.00 64.24 H new ATOM 0 HG23 ILE A 30 1.229 -5.175 13.730 1.00 64.24 H new ATOM 0 HD11 ILE A 30 0.003 -8.465 11.238 1.00 11.23 H new ATOM 0 HD12 ILE A 30 -1.034 -7.079 10.822 1.00 11.23 H new ATOM 0 HD13 ILE A 30 0.692 -6.825 11.176 1.00 11.23 H new ATOM 469 N LYS A 31 -2.753 -3.722 14.770 1.00 63.14 N ATOM 470 CA LYS A 31 -3.150 -2.309 15.005 1.00 73.35 C ATOM 471 C LYS A 31 -3.335 -1.975 16.502 1.00 33.51 C ATOM 472 O LYS A 31 -3.219 -0.814 16.890 1.00 53.24 O ATOM 473 CB LYS A 31 -4.435 -1.945 14.229 1.00 31.41 C ATOM 474 CG LYS A 31 -4.329 -2.086 12.695 1.00 63.51 C ATOM 475 CD LYS A 31 -5.527 -1.454 11.952 1.00 34.22 C ATOM 476 CE LYS A 31 -6.901 -1.904 12.480 1.00 11.42 C ATOM 477 NZ LYS A 31 -7.130 -3.359 12.314 1.00 73.11 N ATOM 0 H LYS A 31 -3.433 -4.255 14.228 1.00 63.14 H new ATOM 0 HA LYS A 31 -2.322 -1.706 14.632 1.00 73.35 H new ATOM 0 HB2 LYS A 31 -5.248 -2.580 14.582 1.00 31.41 H new ATOM 0 HB3 LYS A 31 -4.707 -0.917 14.467 1.00 31.41 H new ATOM 0 HG2 LYS A 31 -3.407 -1.616 12.354 1.00 63.51 H new ATOM 0 HG3 LYS A 31 -4.263 -3.143 12.435 1.00 63.51 H new ATOM 0 HD2 LYS A 31 -5.457 -0.369 12.029 1.00 34.22 H new ATOM 0 HD3 LYS A 31 -5.457 -1.703 10.893 1.00 34.22 H new ATOM 0 HE2 LYS A 31 -6.982 -1.646 13.536 1.00 11.42 H new ATOM 0 HE3 LYS A 31 -7.684 -1.355 11.957 1.00 11.42 H new ATOM 0 HZ1 LYS A 31 -7.845 -3.678 12.998 1.00 73.11 H new ATOM 0 HZ2 LYS A 31 -7.465 -3.550 11.348 1.00 73.11 H new ATOM 0 HZ3 LYS A 31 -6.240 -3.872 12.479 1.00 73.11 H new ATOM 491 N LYS A 32 -3.667 -2.981 17.326 1.00 71.24 N ATOM 492 CA LYS A 32 -3.735 -2.803 18.792 1.00 2.03 C ATOM 493 C LYS A 32 -2.313 -2.605 19.383 1.00 52.44 C ATOM 494 O LYS A 32 -2.066 -1.637 20.114 1.00 42.44 O ATOM 495 CB LYS A 32 -4.451 -4.005 19.468 1.00 2.30 C ATOM 496 CG LYS A 32 -4.645 -3.857 20.999 1.00 42.45 C ATOM 497 CD LYS A 32 -5.492 -2.611 21.376 1.00 63.20 C ATOM 498 CE LYS A 32 -5.545 -2.363 22.895 1.00 20.42 C ATOM 499 NZ LYS A 32 -6.152 -3.502 23.635 1.00 3.03 N ATOM 0 H LYS A 32 -3.892 -3.924 17.008 1.00 71.24 H new ATOM 0 HA LYS A 32 -4.321 -1.907 18.998 1.00 2.03 H new ATOM 0 HB2 LYS A 32 -5.427 -4.140 19.002 1.00 2.30 H new ATOM 0 HB3 LYS A 32 -3.877 -4.911 19.273 1.00 2.30 H new ATOM 0 HG2 LYS A 32 -5.130 -4.752 21.388 1.00 42.45 H new ATOM 0 HG3 LYS A 32 -3.669 -3.788 21.480 1.00 42.45 H new ATOM 0 HD2 LYS A 32 -5.076 -1.732 20.883 1.00 63.20 H new ATOM 0 HD3 LYS A 32 -6.506 -2.739 20.998 1.00 63.20 H new ATOM 0 HE2 LYS A 32 -4.536 -2.188 23.267 1.00 20.42 H new ATOM 0 HE3 LYS A 32 -6.119 -1.458 23.093 1.00 20.42 H new ATOM 0 HZ1 LYS A 32 -6.165 -3.287 24.653 1.00 3.03 H new ATOM 0 HZ2 LYS A 32 -7.125 -3.654 23.301 1.00 3.03 H new ATOM 0 HZ3 LYS A 32 -5.591 -4.362 23.470 1.00 3.03 H new ATOM 513 N ALA A 33 -1.386 -3.515 19.019 1.00 62.14 N ATOM 514 CA ALA A 33 0.014 -3.509 19.526 1.00 21.01 C ATOM 515 C ALA A 33 0.816 -2.259 19.061 1.00 1.33 C ATOM 516 O ALA A 33 1.692 -1.761 19.776 1.00 43.54 O ATOM 517 CB ALA A 33 0.722 -4.803 19.083 1.00 0.00 C ATOM 0 H ALA A 33 -1.580 -4.275 18.367 1.00 62.14 H new ATOM 0 HA ALA A 33 -0.027 -3.461 20.614 1.00 21.01 H new ATOM 0 HB1 ALA A 33 1.747 -4.802 19.453 1.00 0.00 H new ATOM 0 HB2 ALA A 33 0.192 -5.665 19.488 1.00 0.00 H new ATOM 0 HB3 ALA A 33 0.729 -4.860 17.994 1.00 0.00 H new ATOM 523 N THR A 34 0.500 -1.781 17.847 1.00 25.20 N ATOM 524 CA THR A 34 1.125 -0.579 17.231 1.00 5.25 C ATOM 525 C THR A 34 0.379 0.721 17.603 1.00 33.23 C ATOM 526 O THR A 34 0.935 1.822 17.476 1.00 14.33 O ATOM 527 CB THR A 34 1.136 -0.720 15.679 1.00 73.01 C ATOM 528 OG1 THR A 34 -0.212 -0.840 15.194 1.00 14.05 O ATOM 529 CG2 THR A 34 1.942 -1.940 15.221 1.00 2.05 C ATOM 0 H THR A 34 -0.204 -2.217 17.251 1.00 25.20 H new ATOM 0 HA THR A 34 2.142 -0.515 17.618 1.00 5.25 H new ATOM 0 HB THR A 34 1.610 0.173 15.272 1.00 73.01 H new ATOM 0 HG1 THR A 34 -0.533 -1.754 15.342 1.00 14.05 H new ATOM 0 HG21 THR A 34 1.924 -2.001 14.133 1.00 2.05 H new ATOM 0 HG22 THR A 34 2.973 -1.844 15.562 1.00 2.05 H new ATOM 0 HG23 THR A 34 1.504 -2.845 15.642 1.00 2.05 H new ATOM 537 N LYS A 35 -0.883 0.561 18.059 1.00 43.44 N ATOM 538 CA LYS A 35 -1.805 1.666 18.435 1.00 55.32 C ATOM 539 C LYS A 35 -2.259 2.478 17.187 1.00 20.41 C ATOM 540 O LYS A 35 -2.430 3.699 17.247 1.00 50.42 O ATOM 541 CB LYS A 35 -1.188 2.595 19.530 1.00 32.04 C ATOM 542 CG LYS A 35 -0.699 1.851 20.798 1.00 74.03 C ATOM 543 CD LYS A 35 -0.009 2.785 21.818 1.00 63.45 C ATOM 544 CE LYS A 35 1.128 3.623 21.201 1.00 43.50 C ATOM 545 NZ LYS A 35 2.125 2.792 20.461 1.00 33.15 N ATOM 0 H LYS A 35 -1.303 -0.361 18.180 1.00 43.44 H new ATOM 0 HA LYS A 35 -2.693 1.208 18.870 1.00 55.32 H new ATOM 0 HB2 LYS A 35 -0.349 3.140 19.097 1.00 32.04 H new ATOM 0 HB3 LYS A 35 -1.932 3.336 19.822 1.00 32.04 H new ATOM 0 HG2 LYS A 35 -1.548 1.364 21.277 1.00 74.03 H new ATOM 0 HG3 LYS A 35 -0.003 1.064 20.505 1.00 74.03 H new ATOM 0 HD2 LYS A 35 -0.753 3.455 22.249 1.00 63.45 H new ATOM 0 HD3 LYS A 35 0.392 2.186 22.636 1.00 63.45 H new ATOM 0 HE2 LYS A 35 0.702 4.361 20.522 1.00 43.50 H new ATOM 0 HE3 LYS A 35 1.637 4.174 21.992 1.00 43.50 H new ATOM 0 HZ1 LYS A 35 3.003 3.335 20.333 1.00 33.15 H new ATOM 0 HZ2 LYS A 35 2.328 1.928 21.004 1.00 33.15 H new ATOM 0 HZ3 LYS A 35 1.739 2.533 19.531 1.00 33.15 H new ATOM 559 N LEU A 36 -2.448 1.776 16.050 1.00 3.04 N ATOM 560 CA LEU A 36 -3.043 2.358 14.819 1.00 11.21 C ATOM 561 C LEU A 36 -4.566 2.613 14.983 1.00 62.32 C ATOM 562 O LEU A 36 -5.219 2.018 15.844 1.00 31.43 O ATOM 563 CB LEU A 36 -2.787 1.424 13.606 1.00 10.34 C ATOM 564 CG LEU A 36 -1.310 1.293 13.126 1.00 71.42 C ATOM 565 CD1 LEU A 36 -1.192 0.279 11.968 1.00 21.11 C ATOM 566 CD2 LEU A 36 -0.731 2.663 12.726 1.00 62.43 C ATOM 0 H LEU A 36 -2.195 0.793 15.955 1.00 3.04 H new ATOM 0 HA LEU A 36 -2.561 3.320 14.642 1.00 11.21 H new ATOM 0 HB2 LEU A 36 -3.153 0.429 13.859 1.00 10.34 H new ATOM 0 HB3 LEU A 36 -3.387 1.781 12.769 1.00 10.34 H new ATOM 0 HG LEU A 36 -0.720 0.916 13.962 1.00 71.42 H new ATOM 0 HD11 LEU A 36 -0.151 0.207 11.652 1.00 21.11 H new ATOM 0 HD12 LEU A 36 -1.538 -0.699 12.304 1.00 21.11 H new ATOM 0 HD13 LEU A 36 -1.803 0.612 11.129 1.00 21.11 H new ATOM 0 HD21 LEU A 36 0.300 2.540 12.396 1.00 62.43 H new ATOM 0 HD22 LEU A 36 -1.324 3.086 11.915 1.00 62.43 H new ATOM 0 HD23 LEU A 36 -0.759 3.335 13.584 1.00 62.43 H new ATOM 578 N LYS A 37 -5.120 3.484 14.122 1.00 2.32 N ATOM 579 CA LYS A 37 -6.538 3.902 14.185 1.00 1.22 C ATOM 580 C LYS A 37 -7.452 2.972 13.357 1.00 52.32 C ATOM 581 O LYS A 37 -8.437 2.425 13.872 1.00 24.24 O ATOM 582 CB LYS A 37 -6.659 5.370 13.691 1.00 2.11 C ATOM 583 CG LYS A 37 -8.104 5.921 13.635 1.00 73.04 C ATOM 584 CD LYS A 37 -8.165 7.433 13.322 1.00 44.25 C ATOM 585 CE LYS A 37 -9.614 7.954 13.236 1.00 52.24 C ATOM 586 NZ LYS A 37 -10.377 7.701 14.491 1.00 62.11 N ATOM 0 H LYS A 37 -4.600 3.920 13.361 1.00 2.32 H new ATOM 0 HA LYS A 37 -6.871 3.832 15.220 1.00 1.22 H new ATOM 0 HB2 LYS A 37 -6.067 6.009 14.347 1.00 2.11 H new ATOM 0 HB3 LYS A 37 -6.220 5.441 12.696 1.00 2.11 H new ATOM 0 HG2 LYS A 37 -8.665 5.376 12.876 1.00 73.04 H new ATOM 0 HG3 LYS A 37 -8.595 5.734 14.590 1.00 73.04 H new ATOM 0 HD2 LYS A 37 -7.628 7.984 14.094 1.00 44.25 H new ATOM 0 HD3 LYS A 37 -7.655 7.628 12.379 1.00 44.25 H new ATOM 0 HE2 LYS A 37 -9.602 9.024 13.029 1.00 52.24 H new ATOM 0 HE3 LYS A 37 -10.122 7.473 12.400 1.00 52.24 H new ATOM 0 HZ1 LYS A 37 -11.282 8.211 14.456 1.00 62.11 H new ATOM 0 HZ2 LYS A 37 -10.558 6.681 14.588 1.00 62.11 H new ATOM 0 HZ3 LYS A 37 -9.824 8.033 15.307 1.00 62.11 H new ATOM 600 N ALA A 38 -7.089 2.773 12.081 1.00 54.34 N ATOM 601 CA ALA A 38 -7.941 2.077 11.089 1.00 13.10 C ATOM 602 C ALA A 38 -7.109 1.154 10.185 1.00 53.14 C ATOM 603 O ALA A 38 -5.881 1.259 10.118 1.00 15.34 O ATOM 604 CB ALA A 38 -8.717 3.103 10.240 1.00 2.54 C ATOM 0 H ALA A 38 -6.196 3.088 11.702 1.00 54.34 H new ATOM 0 HA ALA A 38 -8.652 1.456 11.634 1.00 13.10 H new ATOM 0 HB1 ALA A 38 -9.339 2.579 9.515 1.00 2.54 H new ATOM 0 HB2 ALA A 38 -9.349 3.709 10.889 1.00 2.54 H new ATOM 0 HB3 ALA A 38 -8.012 3.748 9.715 1.00 2.54 H new ATOM 610 N ASP A 39 -7.793 0.234 9.495 1.00 72.15 N ATOM 611 CA ASP A 39 -7.157 -0.681 8.526 1.00 20.11 C ATOM 612 C ASP A 39 -6.558 0.092 7.329 1.00 23.50 C ATOM 613 O ASP A 39 -5.585 -0.357 6.732 1.00 71.53 O ATOM 614 CB ASP A 39 -8.180 -1.737 8.060 1.00 13.40 C ATOM 615 CG ASP A 39 -8.710 -2.559 9.243 1.00 1.42 C ATOM 616 OD1 ASP A 39 -8.042 -3.534 9.644 1.00 22.54 O ATOM 617 OD2 ASP A 39 -9.770 -2.207 9.807 1.00 14.44 O ATOM 0 H ASP A 39 -8.800 0.099 9.588 1.00 72.15 H new ATOM 0 HA ASP A 39 -6.329 -1.191 9.019 1.00 20.11 H new ATOM 0 HB2 ASP A 39 -9.011 -1.244 7.556 1.00 13.40 H new ATOM 0 HB3 ASP A 39 -7.714 -2.401 7.332 1.00 13.40 H new ATOM 622 N LYS A 40 -7.140 1.267 7.026 1.00 42.11 N ATOM 623 CA LYS A 40 -6.682 2.178 5.942 1.00 1.13 C ATOM 624 C LYS A 40 -5.177 2.547 6.050 1.00 41.44 C ATOM 625 O LYS A 40 -4.430 2.408 5.076 1.00 64.54 O ATOM 626 CB LYS A 40 -7.553 3.464 5.956 1.00 13.23 C ATOM 627 CG LYS A 40 -9.042 3.219 5.629 1.00 35.11 C ATOM 628 CD LYS A 40 -9.267 2.767 4.163 1.00 70.33 C ATOM 629 CE LYS A 40 -10.746 2.462 3.855 1.00 41.44 C ATOM 630 NZ LYS A 40 -11.647 3.599 4.202 1.00 51.23 N ATOM 0 H LYS A 40 -7.953 1.622 7.530 1.00 42.11 H new ATOM 0 HA LYS A 40 -6.800 1.647 4.997 1.00 1.13 H new ATOM 0 HB2 LYS A 40 -7.480 3.929 6.939 1.00 13.23 H new ATOM 0 HB3 LYS A 40 -7.146 4.174 5.236 1.00 13.23 H new ATOM 0 HG2 LYS A 40 -9.438 2.460 6.304 1.00 35.11 H new ATOM 0 HG3 LYS A 40 -9.605 4.134 5.813 1.00 35.11 H new ATOM 0 HD2 LYS A 40 -8.913 3.546 3.488 1.00 70.33 H new ATOM 0 HD3 LYS A 40 -8.668 1.878 3.965 1.00 70.33 H new ATOM 0 HE2 LYS A 40 -10.853 2.228 2.796 1.00 41.44 H new ATOM 0 HE3 LYS A 40 -11.054 1.576 4.410 1.00 41.44 H new ATOM 0 HZ1 LYS A 40 -12.610 3.393 3.869 1.00 51.23 H new ATOM 0 HZ2 LYS A 40 -11.658 3.731 5.234 1.00 51.23 H new ATOM 0 HZ3 LYS A 40 -11.301 4.467 3.746 1.00 51.23 H new ATOM 644 N ASP A 41 -4.751 2.998 7.243 1.00 60.33 N ATOM 645 CA ASP A 41 -3.339 3.363 7.505 1.00 41.21 C ATOM 646 C ASP A 41 -2.451 2.098 7.639 1.00 63.32 C ATOM 647 O ASP A 41 -1.258 2.125 7.300 1.00 12.32 O ATOM 648 CB ASP A 41 -3.226 4.285 8.755 1.00 0.23 C ATOM 649 CG ASP A 41 -4.007 3.780 9.982 1.00 42.10 C ATOM 650 OD1 ASP A 41 -3.478 2.953 10.738 1.00 4.12 O ATOM 651 OD2 ASP A 41 -5.150 4.232 10.205 1.00 0.25 O ATOM 0 H ASP A 41 -5.365 3.121 8.048 1.00 60.33 H new ATOM 0 HA ASP A 41 -2.969 3.927 6.649 1.00 41.21 H new ATOM 0 HB2 ASP A 41 -2.175 4.387 9.024 1.00 0.23 H new ATOM 0 HB3 ASP A 41 -3.586 5.280 8.493 1.00 0.23 H new ATOM 656 N PHE A 42 -3.053 0.993 8.121 1.00 31.31 N ATOM 657 CA PHE A 42 -2.393 -0.336 8.152 1.00 33.15 C ATOM 658 C PHE A 42 -1.983 -0.816 6.728 1.00 23.13 C ATOM 659 O PHE A 42 -0.922 -1.409 6.561 1.00 23.34 O ATOM 660 CB PHE A 42 -3.315 -1.388 8.833 1.00 0.33 C ATOM 661 CG PHE A 42 -2.765 -2.815 8.799 1.00 21.54 C ATOM 662 CD1 PHE A 42 -1.754 -3.207 9.671 1.00 74.22 C ATOM 663 CD2 PHE A 42 -3.232 -3.751 7.866 1.00 14.51 C ATOM 664 CE1 PHE A 42 -1.227 -4.479 9.615 1.00 40.33 C ATOM 665 CE2 PHE A 42 -2.705 -5.025 7.818 1.00 21.53 C ATOM 666 CZ PHE A 42 -1.701 -5.387 8.691 1.00 2.52 C ATOM 0 H PHE A 42 -4.001 0.991 8.497 1.00 31.31 H new ATOM 0 HA PHE A 42 -1.480 -0.231 8.738 1.00 33.15 H new ATOM 0 HB2 PHE A 42 -3.476 -1.097 9.871 1.00 0.33 H new ATOM 0 HB3 PHE A 42 -4.289 -1.373 8.343 1.00 0.33 H new ATOM 0 HD1 PHE A 42 -1.378 -2.506 10.401 1.00 74.22 H new ATOM 0 HD2 PHE A 42 -4.014 -3.471 7.176 1.00 14.51 H new ATOM 0 HE1 PHE A 42 -0.440 -4.766 10.297 1.00 40.33 H new ATOM 0 HE2 PHE A 42 -3.078 -5.738 7.098 1.00 21.53 H new ATOM 0 HZ PHE A 42 -1.285 -6.383 8.651 1.00 2.52 H new ATOM 676 N PHE A 43 -2.835 -0.566 5.712 1.00 71.33 N ATOM 677 CA PHE A 43 -2.564 -0.972 4.302 1.00 0.14 C ATOM 678 C PHE A 43 -1.312 -0.261 3.722 1.00 63.43 C ATOM 679 O PHE A 43 -0.617 -0.821 2.875 1.00 52.13 O ATOM 680 CB PHE A 43 -3.804 -0.716 3.395 1.00 14.12 C ATOM 681 CG PHE A 43 -5.070 -1.475 3.814 1.00 22.04 C ATOM 682 CD1 PHE A 43 -5.009 -2.812 4.231 1.00 45.24 C ATOM 683 CD2 PHE A 43 -6.318 -0.851 3.800 1.00 21.21 C ATOM 684 CE1 PHE A 43 -6.152 -3.488 4.623 1.00 64.40 C ATOM 685 CE2 PHE A 43 -7.459 -1.530 4.196 1.00 1.43 C ATOM 686 CZ PHE A 43 -7.376 -2.848 4.603 1.00 13.35 C ATOM 0 H PHE A 43 -3.724 -0.082 5.836 1.00 71.33 H new ATOM 0 HA PHE A 43 -2.359 -2.042 4.315 1.00 0.14 H new ATOM 0 HB2 PHE A 43 -4.021 0.352 3.392 1.00 14.12 H new ATOM 0 HB3 PHE A 43 -3.552 -0.993 2.371 1.00 14.12 H new ATOM 0 HD1 PHE A 43 -4.057 -3.322 4.247 1.00 45.24 H new ATOM 0 HD2 PHE A 43 -6.396 0.176 3.476 1.00 21.21 H new ATOM 0 HE1 PHE A 43 -6.087 -4.517 4.945 1.00 64.40 H new ATOM 0 HE2 PHE A 43 -8.415 -1.028 4.187 1.00 1.43 H new ATOM 0 HZ PHE A 43 -8.268 -3.377 4.905 1.00 13.35 H new ATOM 696 N LEU A 44 -1.055 0.979 4.174 1.00 22.20 N ATOM 697 CA LEU A 44 0.163 1.746 3.802 1.00 33.13 C ATOM 698 C LEU A 44 1.420 1.198 4.530 1.00 33.21 C ATOM 699 O LEU A 44 2.494 1.096 3.927 1.00 32.14 O ATOM 700 CB LEU A 44 -0.028 3.265 4.106 1.00 74.33 C ATOM 701 CG LEU A 44 -0.885 4.084 3.077 1.00 71.33 C ATOM 702 CD1 LEU A 44 -2.325 3.543 2.935 1.00 40.23 C ATOM 703 CD2 LEU A 44 -0.889 5.588 3.436 1.00 55.33 C ATOM 0 H LEU A 44 -1.678 1.482 4.805 1.00 22.20 H new ATOM 0 HA LEU A 44 0.318 1.624 2.730 1.00 33.13 H new ATOM 0 HB2 LEU A 44 -0.491 3.361 5.088 1.00 74.33 H new ATOM 0 HB3 LEU A 44 0.957 3.726 4.172 1.00 74.33 H new ATOM 0 HG LEU A 44 -0.410 3.961 2.104 1.00 71.33 H new ATOM 0 HD11 LEU A 44 -2.871 4.148 2.211 1.00 40.23 H new ATOM 0 HD12 LEU A 44 -2.293 2.508 2.593 1.00 40.23 H new ATOM 0 HD13 LEU A 44 -2.828 3.591 3.901 1.00 40.23 H new ATOM 0 HD21 LEU A 44 -1.489 6.134 2.708 1.00 55.33 H new ATOM 0 HD22 LEU A 44 -1.313 5.723 4.431 1.00 55.33 H new ATOM 0 HD23 LEU A 44 0.132 5.968 3.422 1.00 55.33 H new ATOM 715 N GLY A 45 1.265 0.851 5.827 1.00 60.33 N ATOM 716 CA GLY A 45 2.356 0.247 6.617 1.00 43.00 C ATOM 717 C GLY A 45 2.770 -1.142 6.113 1.00 0.15 C ATOM 718 O GLY A 45 3.922 -1.362 5.750 1.00 64.12 O ATOM 0 H GLY A 45 0.396 0.979 6.346 1.00 60.33 H new ATOM 0 HA2 GLY A 45 3.222 0.908 6.593 1.00 43.00 H new ATOM 0 HA3 GLY A 45 2.042 0.170 7.658 1.00 43.00 H new ATOM 722 N LEU A 46 1.802 -2.077 6.085 1.00 30.41 N ATOM 723 CA LEU A 46 1.964 -3.428 5.484 1.00 24.42 C ATOM 724 C LEU A 46 2.363 -3.358 3.984 1.00 0.23 C ATOM 725 O LEU A 46 3.137 -4.189 3.499 1.00 65.42 O ATOM 726 CB LEU A 46 0.649 -4.244 5.631 1.00 24.23 C ATOM 727 CG LEU A 46 0.621 -5.640 4.918 1.00 4.13 C ATOM 728 CD1 LEU A 46 1.694 -6.594 5.480 1.00 64.44 C ATOM 729 CD2 LEU A 46 -0.785 -6.268 4.967 1.00 13.35 C ATOM 0 H LEU A 46 0.875 -1.921 6.481 1.00 30.41 H new ATOM 0 HA LEU A 46 2.771 -3.923 6.024 1.00 24.42 H new ATOM 0 HB2 LEU A 46 0.457 -4.397 6.693 1.00 24.23 H new ATOM 0 HB3 LEU A 46 -0.173 -3.643 5.242 1.00 24.23 H new ATOM 0 HG LEU A 46 0.866 -5.472 3.869 1.00 4.13 H new ATOM 0 HD11 LEU A 46 1.640 -7.550 4.959 1.00 64.44 H new ATOM 0 HD12 LEU A 46 2.682 -6.157 5.335 1.00 64.44 H new ATOM 0 HD13 LEU A 46 1.520 -6.751 6.544 1.00 64.44 H new ATOM 0 HD21 LEU A 46 -0.769 -7.235 4.464 1.00 13.35 H new ATOM 0 HD22 LEU A 46 -1.087 -6.404 6.006 1.00 13.35 H new ATOM 0 HD23 LEU A 46 -1.495 -5.610 4.466 1.00 13.35 H new ATOM 741 N GLY A 47 1.829 -2.358 3.271 1.00 73.51 N ATOM 742 CA GLY A 47 2.160 -2.134 1.849 1.00 0.21 C ATOM 743 C GLY A 47 3.626 -1.769 1.647 1.00 15.34 C ATOM 744 O GLY A 47 4.241 -2.106 0.621 1.00 13.10 O ATOM 0 H GLY A 47 1.163 -1.687 3.653 1.00 73.51 H new ATOM 0 HA2 GLY A 47 1.930 -3.034 1.279 1.00 0.21 H new ATOM 0 HA3 GLY A 47 1.531 -1.336 1.453 1.00 0.21 H new ATOM 748 N TRP A 48 4.188 -1.081 2.654 1.00 53.24 N ATOM 749 CA TRP A 48 5.622 -0.803 2.724 1.00 41.12 C ATOM 750 C TRP A 48 6.408 -2.106 3.058 1.00 32.01 C ATOM 751 O TRP A 48 7.451 -2.366 2.475 1.00 22.11 O ATOM 752 CB TRP A 48 5.914 0.315 3.757 1.00 12.23 C ATOM 753 CG TRP A 48 7.291 0.908 3.611 1.00 4.54 C ATOM 754 CD1 TRP A 48 8.436 0.529 4.242 1.00 44.40 C ATOM 755 CD2 TRP A 48 7.655 1.978 2.737 1.00 41.32 C ATOM 756 NE1 TRP A 48 9.488 1.276 3.802 1.00 64.22 N ATOM 757 CE2 TRP A 48 9.036 2.180 2.883 1.00 42.01 C ATOM 758 CE3 TRP A 48 6.945 2.776 1.840 1.00 63.34 C ATOM 759 CZ2 TRP A 48 9.723 3.144 2.167 1.00 33.14 C ATOM 760 CZ3 TRP A 48 7.627 3.739 1.131 1.00 52.21 C ATOM 761 CH2 TRP A 48 9.006 3.915 1.298 1.00 3.54 C ATOM 0 H TRP A 48 3.657 -0.704 3.439 1.00 53.24 H new ATOM 0 HA TRP A 48 5.958 -0.446 1.750 1.00 41.12 H new ATOM 0 HB2 TRP A 48 5.171 1.105 3.648 1.00 12.23 H new ATOM 0 HB3 TRP A 48 5.804 -0.090 4.763 1.00 12.23 H new ATOM 0 HD1 TRP A 48 8.502 -0.252 4.985 1.00 44.40 H new ATOM 0 HE1 TRP A 48 10.456 1.176 4.109 1.00 64.22 H new ATOM 0 HE3 TRP A 48 5.882 2.641 1.704 1.00 63.34 H new ATOM 0 HZ2 TRP A 48 10.787 3.282 2.291 1.00 33.14 H new ATOM 0 HZ3 TRP A 48 7.091 4.368 0.436 1.00 52.21 H new ATOM 0 HH2 TRP A 48 9.514 4.678 0.727 1.00 3.54 H new ATOM 772 N LEU A 49 5.870 -2.938 3.972 1.00 63.34 N ATOM 773 CA LEU A 49 6.444 -4.283 4.300 1.00 52.42 C ATOM 774 C LEU A 49 6.531 -5.203 3.043 1.00 13.42 C ATOM 775 O LEU A 49 7.425 -6.060 2.952 1.00 4.03 O ATOM 776 CB LEU A 49 5.603 -4.972 5.424 1.00 53.05 C ATOM 777 CG LEU A 49 5.963 -4.635 6.910 1.00 23.43 C ATOM 778 CD1 LEU A 49 6.138 -3.145 7.134 1.00 42.10 C ATOM 779 CD2 LEU A 49 4.899 -5.197 7.877 1.00 71.31 C ATOM 0 H LEU A 49 5.032 -2.710 4.507 1.00 63.34 H new ATOM 0 HA LEU A 49 7.461 -4.127 4.660 1.00 52.42 H new ATOM 0 HB2 LEU A 49 4.556 -4.714 5.266 1.00 53.05 H new ATOM 0 HB3 LEU A 49 5.689 -6.051 5.294 1.00 53.05 H new ATOM 0 HG LEU A 49 6.919 -5.115 7.118 1.00 23.43 H new ATOM 0 HD11 LEU A 49 6.387 -2.961 8.179 1.00 42.10 H new ATOM 0 HD12 LEU A 49 6.942 -2.774 6.499 1.00 42.10 H new ATOM 0 HD13 LEU A 49 5.211 -2.628 6.885 1.00 42.10 H new ATOM 0 HD21 LEU A 49 5.172 -4.949 8.903 1.00 71.31 H new ATOM 0 HD22 LEU A 49 3.928 -4.759 7.644 1.00 71.31 H new ATOM 0 HD23 LEU A 49 4.844 -6.280 7.768 1.00 71.31 H new ATOM 791 N LEU A 50 5.585 -5.017 2.091 1.00 73.00 N ATOM 792 CA LEU A 50 5.591 -5.727 0.791 1.00 74.33 C ATOM 793 C LEU A 50 6.784 -5.278 -0.091 1.00 42.34 C ATOM 794 O LEU A 50 7.473 -6.119 -0.673 1.00 12.33 O ATOM 795 CB LEU A 50 4.244 -5.516 0.033 1.00 12.41 C ATOM 796 CG LEU A 50 2.959 -6.067 0.737 1.00 2.04 C ATOM 797 CD1 LEU A 50 1.689 -5.798 -0.104 1.00 13.30 C ATOM 798 CD2 LEU A 50 3.105 -7.567 1.080 1.00 35.34 C ATOM 0 H LEU A 50 4.801 -4.374 2.202 1.00 73.00 H new ATOM 0 HA LEU A 50 5.706 -6.791 1.000 1.00 74.33 H new ATOM 0 HB2 LEU A 50 4.110 -4.448 -0.136 1.00 12.41 H new ATOM 0 HB3 LEU A 50 4.326 -5.986 -0.947 1.00 12.41 H new ATOM 0 HG LEU A 50 2.844 -5.526 1.676 1.00 2.04 H new ATOM 0 HD11 LEU A 50 0.817 -6.195 0.416 1.00 13.30 H new ATOM 0 HD12 LEU A 50 1.568 -4.724 -0.248 1.00 13.30 H new ATOM 0 HD13 LEU A 50 1.785 -6.285 -1.074 1.00 13.30 H new ATOM 0 HD21 LEU A 50 2.196 -7.919 1.568 1.00 35.34 H new ATOM 0 HD22 LEU A 50 3.269 -8.135 0.164 1.00 35.34 H new ATOM 0 HD23 LEU A 50 3.953 -7.706 1.750 1.00 35.34 H new ATOM 810 N ARG A 51 7.040 -3.949 -0.174 1.00 10.43 N ATOM 811 CA ARG A 51 8.199 -3.419 -0.943 1.00 61.24 C ATOM 812 C ARG A 51 9.546 -3.672 -0.210 1.00 20.22 C ATOM 813 O ARG A 51 10.616 -3.596 -0.818 1.00 50.32 O ATOM 814 CB ARG A 51 7.990 -1.906 -1.324 1.00 61.24 C ATOM 815 CG ARG A 51 7.874 -0.852 -0.186 1.00 20.53 C ATOM 816 CD ARG A 51 9.210 -0.486 0.502 1.00 21.31 C ATOM 817 NE ARG A 51 10.136 0.256 -0.372 1.00 31.23 N ATOM 818 CZ ARG A 51 11.425 0.006 -0.508 1.00 53.41 C ATOM 819 NH1 ARG A 51 11.979 -1.013 0.069 1.00 53.42 N ATOM 820 NH2 ARG A 51 12.146 0.778 -1.241 1.00 20.11 N ATOM 0 H ARG A 51 6.470 -3.232 0.274 1.00 10.43 H new ATOM 0 HA ARG A 51 8.255 -3.974 -1.879 1.00 61.24 H new ATOM 0 HB2 ARG A 51 8.821 -1.610 -1.964 1.00 61.24 H new ATOM 0 HB3 ARG A 51 7.084 -1.840 -1.927 1.00 61.24 H new ATOM 0 HG2 ARG A 51 7.432 0.056 -0.596 1.00 20.53 H new ATOM 0 HG3 ARG A 51 7.185 -1.229 0.569 1.00 20.53 H new ATOM 0 HD2 ARG A 51 9.001 0.113 1.389 1.00 21.31 H new ATOM 0 HD3 ARG A 51 9.697 -1.400 0.842 1.00 21.31 H new ATOM 0 HE ARG A 51 9.749 1.026 -0.917 1.00 31.23 H new ATOM 0 HH11 ARG A 51 11.417 -1.642 0.643 1.00 53.42 H new ATOM 0 HH12 ARG A 51 12.977 -1.186 -0.050 1.00 53.42 H new ATOM 0 HH21 ARG A 51 11.721 1.577 -1.712 1.00 20.11 H new ATOM 0 HH22 ARG A 51 13.143 0.592 -1.351 1.00 20.11 H new ATOM 834 N GLU A 52 9.469 -3.946 1.105 1.00 4.54 N ATOM 835 CA GLU A 52 10.637 -4.326 1.941 1.00 53.23 C ATOM 836 C GLU A 52 10.937 -5.838 1.828 1.00 31.41 C ATOM 837 O GLU A 52 12.015 -6.291 2.227 1.00 63.33 O ATOM 838 CB GLU A 52 10.353 -3.973 3.421 1.00 32.32 C ATOM 839 CG GLU A 52 10.232 -2.469 3.760 1.00 1.34 C ATOM 840 CD GLU A 52 11.575 -1.738 3.878 1.00 3.25 C ATOM 841 OE1 GLU A 52 12.240 -1.881 4.928 1.00 72.31 O ATOM 842 OE2 GLU A 52 11.967 -1.014 2.938 1.00 33.35 O ATOM 0 H GLU A 52 8.593 -3.912 1.626 1.00 4.54 H new ATOM 0 HA GLU A 52 11.505 -3.773 1.582 1.00 53.23 H new ATOM 0 HB2 GLU A 52 9.427 -4.465 3.718 1.00 32.32 H new ATOM 0 HB3 GLU A 52 11.150 -4.398 4.032 1.00 32.32 H new ATOM 0 HG2 GLU A 52 9.633 -1.982 2.990 1.00 1.34 H new ATOM 0 HG3 GLU A 52 9.690 -2.363 4.700 1.00 1.34 H new ATOM 849 N ASP A 53 9.928 -6.606 1.341 1.00 23.32 N ATOM 850 CA ASP A 53 10.015 -8.072 1.087 1.00 2.03 C ATOM 851 C ASP A 53 10.250 -8.894 2.389 1.00 61.44 C ATOM 852 O ASP A 53 10.610 -10.075 2.338 1.00 72.14 O ATOM 853 CB ASP A 53 11.105 -8.372 0.016 1.00 15.44 C ATOM 854 CG ASP A 53 10.848 -7.628 -1.307 1.00 62.13 C ATOM 855 OD1 ASP A 53 10.088 -8.142 -2.147 1.00 64.14 O ATOM 856 OD2 ASP A 53 11.409 -6.529 -1.510 1.00 64.23 O ATOM 0 H ASP A 53 9.013 -6.218 1.109 1.00 23.32 H new ATOM 0 HA ASP A 53 9.049 -8.393 0.698 1.00 2.03 H new ATOM 0 HB2 ASP A 53 12.082 -8.087 0.406 1.00 15.44 H new ATOM 0 HB3 ASP A 53 11.138 -9.445 -0.174 1.00 15.44 H new ATOM 861 N LYS A 54 9.974 -8.259 3.544 1.00 22.22 N ATOM 862 CA LYS A 54 10.266 -8.825 4.884 1.00 45.42 C ATOM 863 C LYS A 54 9.018 -9.454 5.541 1.00 1.22 C ATOM 864 O LYS A 54 9.050 -9.817 6.722 1.00 62.25 O ATOM 865 CB LYS A 54 10.889 -7.723 5.787 1.00 62.23 C ATOM 866 CG LYS A 54 9.965 -6.517 6.093 1.00 3.01 C ATOM 867 CD LYS A 54 10.748 -5.336 6.723 1.00 34.01 C ATOM 868 CE LYS A 54 9.858 -4.123 7.056 1.00 13.53 C ATOM 869 NZ LYS A 54 10.666 -2.927 7.394 1.00 2.30 N ATOM 0 H LYS A 54 9.541 -7.336 3.579 1.00 22.22 H new ATOM 0 HA LYS A 54 10.984 -9.636 4.762 1.00 45.42 H new ATOM 0 HB2 LYS A 54 11.190 -8.177 6.731 1.00 62.23 H new ATOM 0 HB3 LYS A 54 11.795 -7.353 5.308 1.00 62.23 H new ATOM 0 HG2 LYS A 54 9.485 -6.185 5.173 1.00 3.01 H new ATOM 0 HG3 LYS A 54 9.172 -6.830 6.772 1.00 3.01 H new ATOM 0 HD2 LYS A 54 11.238 -5.679 7.634 1.00 34.01 H new ATOM 0 HD3 LYS A 54 11.534 -5.023 6.036 1.00 34.01 H new ATOM 0 HE2 LYS A 54 9.215 -3.899 6.205 1.00 13.53 H new ATOM 0 HE3 LYS A 54 9.205 -4.370 7.893 1.00 13.53 H new ATOM 0 HZ1 LYS A 54 10.039 -2.167 7.726 1.00 2.30 H new ATOM 0 HZ2 LYS A 54 11.346 -3.168 8.144 1.00 2.30 H new ATOM 0 HZ3 LYS A 54 11.181 -2.606 6.550 1.00 2.30 H new ATOM 883 N VAL A 55 7.916 -9.589 4.774 1.00 32.10 N ATOM 884 CA VAL A 55 6.684 -10.281 5.251 1.00 72.22 C ATOM 885 C VAL A 55 6.093 -11.258 4.219 1.00 63.31 C ATOM 886 O VAL A 55 6.381 -11.193 3.017 1.00 4.00 O ATOM 887 CB VAL A 55 5.544 -9.281 5.668 1.00 52.13 C ATOM 888 CG1 VAL A 55 5.978 -8.413 6.859 1.00 25.20 C ATOM 889 CG2 VAL A 55 5.078 -8.421 4.465 1.00 10.30 C ATOM 0 H VAL A 55 7.847 -9.231 3.821 1.00 32.10 H new ATOM 0 HA VAL A 55 7.024 -10.840 6.123 1.00 72.22 H new ATOM 0 HB VAL A 55 4.685 -9.869 5.991 1.00 52.13 H new ATOM 0 HG11 VAL A 55 5.170 -7.731 7.126 1.00 25.20 H new ATOM 0 HG12 VAL A 55 6.209 -9.053 7.711 1.00 25.20 H new ATOM 0 HG13 VAL A 55 6.863 -7.838 6.587 1.00 25.20 H new ATOM 0 HG21 VAL A 55 4.290 -7.741 4.788 1.00 10.30 H new ATOM 0 HG22 VAL A 55 5.920 -7.845 4.082 1.00 10.30 H new ATOM 0 HG23 VAL A 55 4.696 -9.072 3.679 1.00 10.30 H new ATOM 899 N VAL A 56 5.242 -12.161 4.740 1.00 34.04 N ATOM 900 CA VAL A 56 4.352 -13.010 3.945 1.00 42.24 C ATOM 901 C VAL A 56 3.000 -13.184 4.689 1.00 73.00 C ATOM 902 O VAL A 56 2.970 -13.465 5.898 1.00 31.12 O ATOM 903 CB VAL A 56 5.026 -14.394 3.605 1.00 2.01 C ATOM 904 CG1 VAL A 56 5.376 -15.205 4.881 1.00 33.10 C ATOM 905 CG2 VAL A 56 4.166 -15.212 2.609 1.00 73.45 C ATOM 0 H VAL A 56 5.156 -12.320 5.744 1.00 34.04 H new ATOM 0 HA VAL A 56 4.157 -12.524 2.989 1.00 42.24 H new ATOM 0 HB VAL A 56 5.973 -14.178 3.111 1.00 2.01 H new ATOM 0 HG11 VAL A 56 5.838 -16.150 4.596 1.00 33.10 H new ATOM 0 HG12 VAL A 56 6.070 -14.633 5.497 1.00 33.10 H new ATOM 0 HG13 VAL A 56 4.466 -15.402 5.448 1.00 33.10 H new ATOM 0 HG21 VAL A 56 4.659 -16.160 2.396 1.00 73.45 H new ATOM 0 HG22 VAL A 56 3.186 -15.403 3.046 1.00 73.45 H new ATOM 0 HG23 VAL A 56 4.047 -14.649 1.683 1.00 73.45 H new ATOM 915 N THR A 57 1.881 -13.007 3.966 1.00 50.12 N ATOM 916 CA THR A 57 0.537 -12.921 4.579 1.00 3.43 C ATOM 917 C THR A 57 -0.312 -14.173 4.248 1.00 64.45 C ATOM 918 O THR A 57 -0.413 -14.585 3.091 1.00 64.44 O ATOM 919 CB THR A 57 -0.224 -11.635 4.094 1.00 61.10 C ATOM 920 OG1 THR A 57 -0.433 -11.694 2.673 1.00 31.05 O ATOM 921 CG2 THR A 57 0.544 -10.337 4.439 1.00 73.54 C ATOM 0 H THR A 57 1.878 -12.920 2.950 1.00 50.12 H new ATOM 0 HA THR A 57 0.680 -12.866 5.658 1.00 3.43 H new ATOM 0 HB THR A 57 -1.180 -11.611 4.617 1.00 61.10 H new ATOM 0 HG1 THR A 57 -0.023 -10.911 2.249 1.00 31.05 H new ATOM 0 HG21 THR A 57 -0.021 -9.475 4.084 1.00 73.54 H new ATOM 0 HG22 THR A 57 0.673 -10.267 5.519 1.00 73.54 H new ATOM 0 HG23 THR A 57 1.522 -10.354 3.957 1.00 73.54 H new ATOM 929 N SER A 58 -0.918 -14.751 5.283 1.00 21.13 N ATOM 930 CA SER A 58 -1.881 -15.859 5.166 1.00 25.22 C ATOM 931 C SER A 58 -3.294 -15.296 4.919 1.00 54.32 C ATOM 932 O SER A 58 -3.651 -14.245 5.471 1.00 3.32 O ATOM 933 CB SER A 58 -1.880 -16.694 6.468 1.00 53.15 C ATOM 934 OG SER A 58 -0.563 -17.072 6.839 1.00 71.23 O ATOM 0 H SER A 58 -0.755 -14.461 6.247 1.00 21.13 H new ATOM 0 HA SER A 58 -1.592 -16.495 4.329 1.00 25.22 H new ATOM 0 HB2 SER A 58 -2.335 -16.117 7.273 1.00 53.15 H new ATOM 0 HB3 SER A 58 -2.491 -17.586 6.331 1.00 53.15 H new ATOM 0 HG SER A 58 -0.223 -17.738 6.206 1.00 71.23 H new ATOM 940 N GLU A 59 -4.084 -16.000 4.104 1.00 13.25 N ATOM 941 CA GLU A 59 -5.493 -15.652 3.861 1.00 5.34 C ATOM 942 C GLU A 59 -6.394 -16.501 4.786 1.00 64.24 C ATOM 943 O GLU A 59 -6.593 -17.702 4.559 1.00 23.12 O ATOM 944 CB GLU A 59 -5.859 -15.893 2.366 1.00 14.21 C ATOM 945 CG GLU A 59 -7.312 -15.518 1.992 1.00 54.50 C ATOM 946 CD GLU A 59 -7.615 -14.020 2.156 1.00 42.32 C ATOM 947 OE1 GLU A 59 -7.416 -13.248 1.188 1.00 14.33 O ATOM 948 OE2 GLU A 59 -8.056 -13.607 3.246 1.00 51.11 O ATOM 0 H GLU A 59 -3.769 -16.825 3.594 1.00 13.25 H new ATOM 0 HA GLU A 59 -5.650 -14.596 4.081 1.00 5.34 H new ATOM 0 HB2 GLU A 59 -5.176 -15.317 1.741 1.00 14.21 H new ATOM 0 HB3 GLU A 59 -5.697 -16.945 2.131 1.00 14.21 H new ATOM 0 HG2 GLU A 59 -7.500 -15.809 0.958 1.00 54.50 H new ATOM 0 HG3 GLU A 59 -7.999 -16.091 2.614 1.00 54.50 H new ATOM 955 N VAL A 60 -6.896 -15.869 5.863 1.00 10.03 N ATOM 956 CA VAL A 60 -7.806 -16.522 6.828 1.00 22.44 C ATOM 957 C VAL A 60 -9.221 -15.931 6.684 1.00 34.22 C ATOM 958 O VAL A 60 -9.467 -14.830 7.162 1.00 64.45 O ATOM 959 CB VAL A 60 -7.286 -16.308 8.310 1.00 12.03 C ATOM 960 CG1 VAL A 60 -8.198 -16.998 9.357 1.00 51.11 C ATOM 961 CG2 VAL A 60 -5.818 -16.768 8.464 1.00 14.30 C ATOM 0 H VAL A 60 -6.685 -14.897 6.090 1.00 10.03 H new ATOM 0 HA VAL A 60 -7.834 -17.591 6.618 1.00 22.44 H new ATOM 0 HB VAL A 60 -7.327 -15.236 8.505 1.00 12.03 H new ATOM 0 HG11 VAL A 60 -7.801 -16.823 10.357 1.00 51.11 H new ATOM 0 HG12 VAL A 60 -9.205 -16.587 9.290 1.00 51.11 H new ATOM 0 HG13 VAL A 60 -8.230 -18.070 9.162 1.00 51.11 H new ATOM 0 HG21 VAL A 60 -5.492 -16.608 9.492 1.00 14.30 H new ATOM 0 HG22 VAL A 60 -5.741 -17.828 8.220 1.00 14.30 H new ATOM 0 HG23 VAL A 60 -5.184 -16.193 7.789 1.00 14.30 H new ATOM 971 N GLU A 61 -10.140 -16.700 6.060 1.00 44.35 N ATOM 972 CA GLU A 61 -11.580 -16.345 5.867 1.00 44.15 C ATOM 973 C GLU A 61 -11.832 -14.856 5.446 1.00 1.42 C ATOM 974 O GLU A 61 -12.746 -14.194 5.953 1.00 41.43 O ATOM 975 CB GLU A 61 -12.460 -16.767 7.104 1.00 62.15 C ATOM 976 CG GLU A 61 -12.036 -16.195 8.482 1.00 74.52 C ATOM 977 CD GLU A 61 -13.126 -16.321 9.567 1.00 32.53 C ATOM 978 OE1 GLU A 61 -14.084 -15.516 9.559 1.00 54.31 O ATOM 979 OE2 GLU A 61 -13.030 -17.221 10.433 1.00 31.41 O ATOM 0 H GLU A 61 -9.904 -17.610 5.663 1.00 44.35 H new ATOM 0 HA GLU A 61 -11.903 -16.935 5.010 1.00 44.15 H new ATOM 0 HB2 GLU A 61 -13.489 -16.463 6.910 1.00 62.15 H new ATOM 0 HB3 GLU A 61 -12.456 -17.855 7.170 1.00 62.15 H new ATOM 0 HG2 GLU A 61 -11.138 -16.712 8.820 1.00 74.52 H new ATOM 0 HG3 GLU A 61 -11.773 -15.144 8.364 1.00 74.52 H new ATOM 986 N GLY A 62 -11.042 -14.361 4.472 1.00 21.35 N ATOM 987 CA GLY A 62 -11.162 -12.972 3.986 1.00 32.53 C ATOM 988 C GLY A 62 -10.399 -11.921 4.817 1.00 4.24 C ATOM 989 O GLY A 62 -10.555 -10.717 4.590 1.00 45.30 O ATOM 0 H GLY A 62 -10.314 -14.903 4.007 1.00 21.35 H new ATOM 0 HA2 GLY A 62 -10.802 -12.931 2.958 1.00 32.53 H new ATOM 0 HA3 GLY A 62 -12.217 -12.700 3.966 1.00 32.53 H new ATOM 993 N GLU A 63 -9.574 -12.373 5.776 1.00 22.13 N ATOM 994 CA GLU A 63 -8.769 -11.498 6.671 1.00 12.41 C ATOM 995 C GLU A 63 -7.251 -11.666 6.400 1.00 44.30 C ATOM 996 O GLU A 63 -6.777 -12.768 6.099 1.00 11.14 O ATOM 997 CB GLU A 63 -9.068 -11.849 8.157 1.00 71.12 C ATOM 998 CG GLU A 63 -10.553 -11.740 8.575 1.00 53.41 C ATOM 999 CD GLU A 63 -11.048 -10.288 8.683 1.00 34.22 C ATOM 1000 OE1 GLU A 63 -11.540 -9.730 7.680 1.00 32.20 O ATOM 1001 OE2 GLU A 63 -10.940 -9.697 9.781 1.00 40.41 O ATOM 0 H GLU A 63 -9.440 -13.367 5.961 1.00 22.13 H new ATOM 0 HA GLU A 63 -9.045 -10.463 6.470 1.00 12.41 H new ATOM 0 HB2 GLU A 63 -8.727 -12.866 8.349 1.00 71.12 H new ATOM 0 HB3 GLU A 63 -8.479 -11.190 8.795 1.00 71.12 H new ATOM 0 HG2 GLU A 63 -11.168 -12.273 7.850 1.00 53.41 H new ATOM 0 HG3 GLU A 63 -10.690 -12.236 9.536 1.00 53.41 H new ATOM 1008 N ILE A 64 -6.500 -10.563 6.534 1.00 65.51 N ATOM 1009 CA ILE A 64 -5.034 -10.551 6.374 1.00 63.10 C ATOM 1010 C ILE A 64 -4.353 -11.016 7.689 1.00 71.05 C ATOM 1011 O ILE A 64 -4.611 -10.447 8.751 1.00 32.23 O ATOM 1012 CB ILE A 64 -4.519 -9.107 6.002 1.00 70.40 C ATOM 1013 CG1 ILE A 64 -5.255 -8.542 4.745 1.00 73.44 C ATOM 1014 CG2 ILE A 64 -2.987 -9.093 5.798 1.00 61.54 C ATOM 1015 CD1 ILE A 64 -4.890 -7.102 4.378 1.00 51.14 C ATOM 0 H ILE A 64 -6.892 -9.648 6.758 1.00 65.51 H new ATOM 0 HA ILE A 64 -4.777 -11.234 5.565 1.00 63.10 H new ATOM 0 HB ILE A 64 -4.751 -8.453 6.843 1.00 70.40 H new ATOM 0 HG12 ILE A 64 -5.035 -9.186 3.893 1.00 73.44 H new ATOM 0 HG13 ILE A 64 -6.330 -8.597 4.916 1.00 73.44 H new ATOM 0 HG21 ILE A 64 -2.663 -8.084 5.543 1.00 61.54 H new ATOM 0 HG22 ILE A 64 -2.495 -9.411 6.717 1.00 61.54 H new ATOM 0 HG23 ILE A 64 -2.721 -9.775 4.990 1.00 61.54 H new ATOM 0 HD11 ILE A 64 -5.451 -6.799 3.494 1.00 51.14 H new ATOM 0 HD12 ILE A 64 -5.137 -6.441 5.209 1.00 51.14 H new ATOM 0 HD13 ILE A 64 -3.822 -7.039 4.170 1.00 51.14 H new ATOM 1027 N PHE A 65 -3.506 -12.052 7.604 1.00 3.43 N ATOM 1028 CA PHE A 65 -2.710 -12.571 8.746 1.00 11.02 C ATOM 1029 C PHE A 65 -1.201 -12.443 8.408 1.00 34.02 C ATOM 1030 O PHE A 65 -0.665 -13.238 7.648 1.00 73.53 O ATOM 1031 CB PHE A 65 -3.117 -14.050 9.019 1.00 31.44 C ATOM 1032 CG PHE A 65 -2.408 -14.735 10.196 1.00 75.33 C ATOM 1033 CD1 PHE A 65 -2.902 -14.623 11.493 1.00 44.33 C ATOM 1034 CD2 PHE A 65 -1.253 -15.505 10.000 1.00 5.32 C ATOM 1035 CE1 PHE A 65 -2.272 -15.249 12.553 1.00 41.51 C ATOM 1036 CE2 PHE A 65 -0.626 -16.131 11.061 1.00 51.12 C ATOM 1037 CZ PHE A 65 -1.137 -16.002 12.337 1.00 73.15 C ATOM 0 H PHE A 65 -3.347 -12.564 6.736 1.00 3.43 H new ATOM 0 HA PHE A 65 -2.906 -11.994 9.650 1.00 11.02 H new ATOM 0 HB2 PHE A 65 -4.192 -14.083 9.198 1.00 31.44 H new ATOM 0 HB3 PHE A 65 -2.926 -14.631 8.117 1.00 31.44 H new ATOM 0 HD1 PHE A 65 -3.791 -14.038 11.674 1.00 44.33 H new ATOM 0 HD2 PHE A 65 -0.847 -15.611 9.005 1.00 5.32 H new ATOM 0 HE1 PHE A 65 -2.670 -15.148 13.552 1.00 41.51 H new ATOM 0 HE2 PHE A 65 0.263 -16.721 10.892 1.00 51.12 H new ATOM 0 HZ PHE A 65 -0.648 -16.491 13.166 1.00 73.15 H new ATOM 1047 N VAL A 66 -0.513 -11.449 8.981 1.00 12.34 N ATOM 1048 CA VAL A 66 0.860 -11.079 8.554 1.00 31.43 C ATOM 1049 C VAL A 66 1.930 -11.784 9.416 1.00 21.11 C ATOM 1050 O VAL A 66 1.854 -11.778 10.649 1.00 22.12 O ATOM 1051 CB VAL A 66 1.076 -9.527 8.634 1.00 24.44 C ATOM 1052 CG1 VAL A 66 2.444 -9.108 8.039 1.00 60.22 C ATOM 1053 CG2 VAL A 66 -0.090 -8.766 7.960 1.00 45.13 C ATOM 0 H VAL A 66 -0.878 -10.879 9.744 1.00 12.34 H new ATOM 0 HA VAL A 66 0.969 -11.406 7.520 1.00 31.43 H new ATOM 0 HB VAL A 66 1.086 -9.252 9.689 1.00 24.44 H new ATOM 0 HG11 VAL A 66 2.557 -8.026 8.112 1.00 60.22 H new ATOM 0 HG12 VAL A 66 3.246 -9.595 8.593 1.00 60.22 H new ATOM 0 HG13 VAL A 66 2.493 -9.408 6.992 1.00 60.22 H new ATOM 0 HG21 VAL A 66 0.087 -7.693 8.031 1.00 45.13 H new ATOM 0 HG22 VAL A 66 -0.155 -9.055 6.911 1.00 45.13 H new ATOM 0 HG23 VAL A 66 -1.025 -9.014 8.463 1.00 45.13 H new ATOM 1063 N LYS A 67 2.930 -12.392 8.743 1.00 41.34 N ATOM 1064 CA LYS A 67 4.086 -13.039 9.405 1.00 1.42 C ATOM 1065 C LYS A 67 5.386 -12.421 8.863 1.00 1.41 C ATOM 1066 O LYS A 67 5.431 -12.029 7.693 1.00 61.44 O ATOM 1067 CB LYS A 67 4.093 -14.564 9.115 1.00 31.14 C ATOM 1068 CG LYS A 67 2.768 -15.296 9.424 1.00 74.31 C ATOM 1069 CD LYS A 67 2.831 -16.809 9.112 1.00 43.11 C ATOM 1070 CE LYS A 67 3.210 -17.114 7.647 1.00 24.52 C ATOM 1071 NZ LYS A 67 2.248 -16.521 6.676 1.00 61.12 N ATOM 0 H LYS A 67 2.960 -12.449 7.725 1.00 41.34 H new ATOM 0 HA LYS A 67 4.011 -12.882 10.481 1.00 1.42 H new ATOM 0 HB2 LYS A 67 4.338 -14.717 8.064 1.00 31.14 H new ATOM 0 HB3 LYS A 67 4.890 -15.025 9.699 1.00 31.14 H new ATOM 0 HG2 LYS A 67 2.518 -15.157 10.476 1.00 74.31 H new ATOM 0 HG3 LYS A 67 1.964 -14.843 8.843 1.00 74.31 H new ATOM 0 HD2 LYS A 67 3.558 -17.280 9.774 1.00 43.11 H new ATOM 0 HD3 LYS A 67 1.863 -17.259 9.331 1.00 43.11 H new ATOM 0 HE2 LYS A 67 4.209 -16.729 7.445 1.00 24.52 H new ATOM 0 HE3 LYS A 67 3.249 -18.194 7.502 1.00 24.52 H new ATOM 0 HZ1 LYS A 67 2.476 -16.851 5.716 1.00 61.12 H new ATOM 0 HZ2 LYS A 67 1.281 -16.814 6.922 1.00 61.12 H new ATOM 0 HZ3 LYS A 67 2.315 -15.484 6.711 1.00 61.12 H new ATOM 1085 N LEU A 68 6.439 -12.347 9.685 1.00 54.34 N ATOM 1086 CA LEU A 68 7.760 -11.864 9.221 1.00 10.43 C ATOM 1087 C LEU A 68 8.580 -13.003 8.581 1.00 52.21 C ATOM 1088 O LEU A 68 8.549 -14.148 9.055 1.00 5.34 O ATOM 1089 CB LEU A 68 8.576 -11.245 10.385 1.00 31.42 C ATOM 1090 CG LEU A 68 7.945 -10.015 11.112 1.00 34.10 C ATOM 1091 CD1 LEU A 68 8.953 -9.372 12.081 1.00 60.11 C ATOM 1092 CD2 LEU A 68 7.396 -8.974 10.117 1.00 3.40 C ATOM 0 H LEU A 68 6.411 -12.612 10.670 1.00 54.34 H new ATOM 0 HA LEU A 68 7.568 -11.096 8.472 1.00 10.43 H new ATOM 0 HB2 LEU A 68 8.754 -12.024 11.127 1.00 31.42 H new ATOM 0 HB3 LEU A 68 9.550 -10.947 9.996 1.00 31.42 H new ATOM 0 HG LEU A 68 7.099 -10.383 11.692 1.00 34.10 H new ATOM 0 HD11 LEU A 68 8.489 -8.518 12.575 1.00 60.11 H new ATOM 0 HD12 LEU A 68 9.255 -10.104 12.830 1.00 60.11 H new ATOM 0 HD13 LEU A 68 9.829 -9.038 11.526 1.00 60.11 H new ATOM 0 HD21 LEU A 68 6.967 -8.136 10.667 1.00 3.40 H new ATOM 0 HD22 LEU A 68 8.206 -8.615 9.482 1.00 3.40 H new ATOM 0 HD23 LEU A 68 6.626 -9.434 9.497 1.00 3.40 H new ATOM 1104 N VAL A 69 9.300 -12.678 7.494 1.00 3.24 N ATOM 1105 CA VAL A 69 10.339 -13.555 6.923 1.00 75.21 C ATOM 1106 C VAL A 69 11.498 -13.713 7.941 1.00 25.43 C ATOM 1107 O VAL A 69 12.099 -12.716 8.362 1.00 3.21 O ATOM 1108 CB VAL A 69 10.869 -12.980 5.552 1.00 15.31 C ATOM 1109 CG1 VAL A 69 12.078 -13.782 5.003 1.00 1.50 C ATOM 1110 CG2 VAL A 69 9.722 -12.916 4.504 1.00 25.22 C ATOM 0 H VAL A 69 9.179 -11.802 6.986 1.00 3.24 H new ATOM 0 HA VAL A 69 9.906 -14.535 6.723 1.00 75.21 H new ATOM 0 HB VAL A 69 11.223 -11.967 5.744 1.00 15.31 H new ATOM 0 HG11 VAL A 69 12.405 -13.347 4.059 1.00 1.50 H new ATOM 0 HG12 VAL A 69 12.896 -13.745 5.722 1.00 1.50 H new ATOM 0 HG13 VAL A 69 11.784 -14.819 4.842 1.00 1.50 H new ATOM 0 HG21 VAL A 69 10.108 -12.517 3.566 1.00 25.22 H new ATOM 0 HG22 VAL A 69 9.326 -13.918 4.337 1.00 25.22 H new ATOM 0 HG23 VAL A 69 8.927 -12.269 4.874 1.00 25.22 H new ATOM 1120 N LEU A 70 11.774 -14.965 8.355 1.00 53.43 N ATOM 1121 CA LEU A 70 12.753 -15.259 9.422 1.00 22.33 C ATOM 1122 C LEU A 70 14.208 -14.977 8.971 1.00 31.12 C ATOM 1123 O LEU A 70 14.874 -15.840 8.377 1.00 74.13 O ATOM 1124 CB LEU A 70 12.596 -16.723 9.921 1.00 63.45 C ATOM 1125 CG LEU A 70 11.189 -17.110 10.493 1.00 24.52 C ATOM 1126 CD1 LEU A 70 11.177 -18.568 11.006 1.00 63.34 C ATOM 1127 CD2 LEU A 70 10.733 -16.120 11.593 1.00 25.34 C ATOM 0 H LEU A 70 11.329 -15.795 7.964 1.00 53.43 H new ATOM 0 HA LEU A 70 12.542 -14.586 10.253 1.00 22.33 H new ATOM 0 HB2 LEU A 70 12.826 -17.394 9.093 1.00 63.45 H new ATOM 0 HB3 LEU A 70 13.342 -16.904 10.695 1.00 63.45 H new ATOM 0 HG LEU A 70 10.471 -17.041 9.676 1.00 24.52 H new ATOM 0 HD11 LEU A 70 10.188 -18.808 11.397 1.00 63.34 H new ATOM 0 HD12 LEU A 70 11.417 -19.244 10.186 1.00 63.34 H new ATOM 0 HD13 LEU A 70 11.917 -18.681 11.798 1.00 63.34 H new ATOM 0 HD21 LEU A 70 9.754 -16.418 11.968 1.00 25.34 H new ATOM 0 HD22 LEU A 70 11.453 -16.129 12.412 1.00 25.34 H new ATOM 0 HD23 LEU A 70 10.671 -15.115 11.175 1.00 25.34 H new ATOM 1139 N GLU A 71 14.657 -13.733 9.208 1.00 60.20 N ATOM 1140 CA GLU A 71 16.050 -13.306 8.985 1.00 23.21 C ATOM 1141 C GLU A 71 16.949 -13.819 10.131 1.00 63.54 C ATOM 1142 O GLU A 71 17.994 -14.431 9.902 1.00 4.34 O ATOM 1143 CB GLU A 71 16.114 -11.760 8.915 1.00 30.41 C ATOM 1144 CG GLU A 71 15.235 -11.120 7.819 1.00 35.55 C ATOM 1145 CD GLU A 71 15.287 -9.582 7.850 1.00 5.13 C ATOM 1146 OE1 GLU A 71 16.181 -8.992 7.203 1.00 0.44 O ATOM 1147 OE2 GLU A 71 14.461 -8.959 8.559 1.00 63.22 O ATOM 0 H GLU A 71 14.058 -12.988 9.563 1.00 60.20 H new ATOM 0 HA GLU A 71 16.407 -13.724 8.044 1.00 23.21 H new ATOM 0 HB2 GLU A 71 15.815 -11.355 9.882 1.00 30.41 H new ATOM 0 HB3 GLU A 71 17.149 -11.461 8.750 1.00 30.41 H new ATOM 0 HG2 GLU A 71 15.564 -11.472 6.841 1.00 35.55 H new ATOM 0 HG3 GLU A 71 14.204 -11.449 7.946 1.00 35.55 H new ATOM 1154 N HIS A 72 16.520 -13.532 11.383 1.00 4.01 N ATOM 1155 CA HIS A 72 17.207 -13.979 12.621 1.00 3.25 C ATOM 1156 C HIS A 72 16.173 -14.513 13.654 1.00 12.25 C ATOM 1157 O HIS A 72 14.961 -14.506 13.398 1.00 33.11 O ATOM 1158 CB HIS A 72 18.041 -12.811 13.228 1.00 3.12 C ATOM 1159 CG HIS A 72 18.988 -12.162 12.251 1.00 21.44 C ATOM 1160 ND1 HIS A 72 20.120 -12.787 11.776 1.00 21.32 N ATOM 1161 CD2 HIS A 72 18.940 -10.960 11.621 1.00 42.14 C ATOM 1162 CE1 HIS A 72 20.721 -12.005 10.902 1.00 51.35 C ATOM 1163 NE2 HIS A 72 20.027 -10.893 10.789 1.00 60.11 N ATOM 0 H HIS A 72 15.682 -12.980 11.565 1.00 4.01 H new ATOM 0 HA HIS A 72 17.888 -14.792 12.369 1.00 3.25 H new ATOM 0 HB2 HIS A 72 17.359 -12.054 13.615 1.00 3.12 H new ATOM 0 HB3 HIS A 72 18.612 -13.188 14.076 1.00 3.12 H new ATOM 0 HD2 HIS A 72 18.185 -10.198 11.751 1.00 42.14 H new ATOM 0 HE1 HIS A 72 21.630 -12.238 10.368 1.00 51.35 H new ATOM 0 HE2 HIS A 72 20.260 -10.108 10.181 1.00 60.11 H new ATOM 1172 N HIS A 73 16.661 -14.959 14.829 1.00 13.11 N ATOM 1173 CA HIS A 73 15.814 -15.580 15.884 1.00 20.33 C ATOM 1174 C HIS A 73 16.000 -14.885 17.259 1.00 1.03 C ATOM 1175 O HIS A 73 16.994 -14.193 17.495 1.00 60.30 O ATOM 1176 CB HIS A 73 16.113 -17.105 15.974 1.00 43.32 C ATOM 1177 CG HIS A 73 17.579 -17.452 16.085 1.00 44.24 C ATOM 1178 ND1 HIS A 73 18.239 -17.568 17.287 1.00 64.24 N ATOM 1179 CD2 HIS A 73 18.510 -17.728 15.131 1.00 53.41 C ATOM 1180 CE1 HIS A 73 19.496 -17.893 17.077 1.00 71.44 C ATOM 1181 NE2 HIS A 73 19.687 -17.999 15.782 1.00 41.53 N ATOM 0 H HIS A 73 17.648 -14.902 15.079 1.00 13.11 H new ATOM 0 HA HIS A 73 14.769 -15.444 15.605 1.00 20.33 H new ATOM 0 HB2 HIS A 73 15.590 -17.514 16.838 1.00 43.32 H new ATOM 0 HB3 HIS A 73 15.703 -17.595 15.091 1.00 43.32 H new ATOM 0 HD2 HIS A 73 18.352 -17.733 14.063 1.00 53.41 H new ATOM 0 HE1 HIS A 73 20.244 -18.047 17.840 1.00 71.44 H new ATOM 0 HE2 HIS A 73 20.569 -18.244 15.332 1.00 41.53 H new ATOM 1190 N HIS A 74 15.012 -15.075 18.160 1.00 60.11 N ATOM 1191 CA HIS A 74 14.994 -14.458 19.512 1.00 50.25 C ATOM 1192 C HIS A 74 14.689 -15.519 20.599 1.00 31.13 C ATOM 1193 O HIS A 74 13.924 -16.459 20.358 1.00 4.22 O ATOM 1194 CB HIS A 74 13.909 -13.346 19.604 1.00 61.22 C ATOM 1195 CG HIS A 74 14.076 -12.183 18.655 1.00 60.45 C ATOM 1196 ND1 HIS A 74 14.676 -10.996 19.014 1.00 11.35 N ATOM 1197 CD2 HIS A 74 13.678 -12.015 17.368 1.00 32.54 C ATOM 1198 CE1 HIS A 74 14.640 -10.157 18.001 1.00 12.23 C ATOM 1199 NE2 HIS A 74 14.043 -10.747 16.987 1.00 53.30 N ATOM 0 H HIS A 74 14.199 -15.662 17.973 1.00 60.11 H new ATOM 0 HA HIS A 74 15.981 -14.027 19.679 1.00 50.25 H new ATOM 0 HB2 HIS A 74 12.935 -13.800 19.424 1.00 61.22 H new ATOM 0 HB3 HIS A 74 13.897 -12.960 20.623 1.00 61.22 H new ATOM 0 HD1 HIS A 74 15.086 -10.798 19.927 1.00 11.35 H new ATOM 0 HD2 HIS A 74 13.168 -12.744 16.756 1.00 32.54 H new ATOM 0 HE1 HIS A 74 15.035 -9.152 18.001 1.00 12.23 H new ATOM 1208 N HIS A 75 15.291 -15.355 21.794 1.00 33.11 N ATOM 1209 CA HIS A 75 14.918 -16.136 23.006 1.00 43.01 C ATOM 1210 C HIS A 75 13.709 -15.491 23.735 1.00 32.52 C ATOM 1211 O HIS A 75 13.069 -16.117 24.589 1.00 11.42 O ATOM 1212 CB HIS A 75 16.132 -16.252 23.962 1.00 51.14 C ATOM 1213 CG HIS A 75 17.279 -17.037 23.382 1.00 62.30 C ATOM 1214 ND1 HIS A 75 18.427 -16.454 22.889 1.00 4.41 N ATOM 1215 CD2 HIS A 75 17.450 -18.370 23.230 1.00 1.03 C ATOM 1216 CE1 HIS A 75 19.245 -17.388 22.459 1.00 51.33 C ATOM 1217 NE2 HIS A 75 18.679 -18.559 22.654 1.00 54.21 N ATOM 0 H HIS A 75 16.044 -14.685 21.953 1.00 33.11 H new ATOM 0 HA HIS A 75 14.623 -17.137 22.690 1.00 43.01 H new ATOM 0 HB2 HIS A 75 16.480 -15.251 24.218 1.00 51.14 H new ATOM 0 HB3 HIS A 75 15.810 -16.725 24.890 1.00 51.14 H new ATOM 0 HD2 HIS A 75 16.749 -19.142 23.510 1.00 1.03 H new ATOM 0 HE1 HIS A 75 20.218 -17.222 22.020 1.00 51.33 H new ATOM 0 HE2 HIS A 75 19.089 -19.462 22.415 1.00 54.21 H new ATOM 1226 N HIS A 76 13.426 -14.221 23.394 1.00 41.11 N ATOM 1227 CA HIS A 76 12.265 -13.454 23.902 1.00 62.35 C ATOM 1228 C HIS A 76 11.414 -12.951 22.700 1.00 53.44 C ATOM 1229 O HIS A 76 11.449 -13.554 21.623 1.00 65.24 O ATOM 1230 CB HIS A 76 12.773 -12.275 24.777 1.00 41.34 C ATOM 1231 CG HIS A 76 13.536 -12.690 26.018 1.00 23.10 C ATOM 1232 ND1 HIS A 76 12.947 -12.824 27.259 1.00 62.05 N ATOM 1233 CD2 HIS A 76 14.847 -13.004 26.202 1.00 50.41 C ATOM 1234 CE1 HIS A 76 13.851 -13.194 28.143 1.00 32.50 C ATOM 1235 NE2 HIS A 76 15.010 -13.310 27.533 1.00 10.05 N ATOM 0 H HIS A 76 14.005 -13.686 22.747 1.00 41.11 H new ATOM 0 HA HIS A 76 11.631 -14.088 24.522 1.00 62.35 H new ATOM 0 HB2 HIS A 76 13.415 -11.639 24.168 1.00 41.34 H new ATOM 0 HB3 HIS A 76 11.918 -11.669 25.078 1.00 41.34 H new ATOM 0 HD2 HIS A 76 15.616 -13.012 25.444 1.00 50.41 H new ATOM 0 HE1 HIS A 76 13.670 -13.372 29.193 1.00 32.50 H new ATOM 0 HE2 HIS A 76 15.888 -13.583 27.975 1.00 10.05 H new ATOM 1244 N HIS A 77 10.627 -11.873 22.891 1.00 14.44 N ATOM 1245 CA HIS A 77 9.809 -11.268 21.808 1.00 12.02 C ATOM 1246 C HIS A 77 10.680 -10.354 20.908 1.00 32.21 C ATOM 1247 O HIS A 77 11.398 -10.818 20.011 1.00 1.14 O ATOM 1248 CB HIS A 77 8.639 -10.460 22.435 1.00 42.55 C ATOM 1249 CG HIS A 77 7.549 -10.072 21.464 1.00 2.22 C ATOM 1250 ND1 HIS A 77 7.568 -8.910 20.721 1.00 14.32 N ATOM 1251 CD2 HIS A 77 6.398 -10.700 21.127 1.00 63.01 C ATOM 1252 CE1 HIS A 77 6.485 -8.843 19.976 1.00 73.24 C ATOM 1253 NE2 HIS A 77 5.761 -9.914 20.204 1.00 72.43 N ATOM 0 H HIS A 77 10.537 -11.398 23.789 1.00 14.44 H new ATOM 0 HA HIS A 77 9.402 -12.063 21.183 1.00 12.02 H new ATOM 0 HB2 HIS A 77 8.198 -11.049 23.239 1.00 42.55 H new ATOM 0 HB3 HIS A 77 9.042 -9.555 22.888 1.00 42.55 H new ATOM 0 HD1 HIS A 77 8.309 -8.209 20.745 1.00 14.32 H new ATOM 0 HD2 HIS A 77 6.047 -11.645 21.514 1.00 63.01 H new ATOM 0 HE1 HIS A 77 6.235 -8.044 19.294 1.00 73.24 H new TER 1262 HIS A 77 ATOM 1263 N MET B 1 1.886 -16.472 -6.825 1.00 60.43 N ATOM 1264 CA MET B 1 0.679 -16.982 -7.490 1.00 33.02 C ATOM 1265 C MET B 1 -0.604 -16.493 -6.773 1.00 43.21 C ATOM 1266 O MET B 1 -1.593 -16.126 -7.422 1.00 62.34 O ATOM 1267 CB MET B 1 0.717 -18.532 -7.552 1.00 72.20 C ATOM 1268 CG MET B 1 1.932 -19.110 -8.290 1.00 54.44 C ATOM 1269 SD MET B 1 1.903 -20.919 -8.359 1.00 30.41 S ATOM 1270 CE MET B 1 3.378 -21.281 -9.318 1.00 53.32 C ATOM 0 H1 MET B 1 2.716 -16.655 -7.424 1.00 60.43 H new ATOM 0 H2 MET B 1 1.790 -15.448 -6.670 1.00 60.43 H new ATOM 0 H3 MET B 1 2.007 -16.951 -5.910 1.00 60.43 H new ATOM 0 HA MET B 1 0.659 -16.591 -8.507 1.00 33.02 H new ATOM 0 HB2 MET B 1 0.705 -18.924 -6.535 1.00 72.20 H new ATOM 0 HB3 MET B 1 -0.191 -18.886 -8.040 1.00 72.20 H new ATOM 0 HG2 MET B 1 1.961 -18.711 -9.304 1.00 54.44 H new ATOM 0 HG3 MET B 1 2.845 -18.783 -7.792 1.00 54.44 H new ATOM 0 HE1 MET B 1 3.480 -22.360 -9.435 1.00 53.32 H new ATOM 0 HE2 MET B 1 3.297 -20.815 -10.300 1.00 53.32 H new ATOM 0 HE3 MET B 1 4.254 -20.888 -8.801 1.00 53.32 H new ATOM 1280 N LYS B 2 -0.567 -16.496 -5.425 1.00 64.53 N ATOM 1281 CA LYS B 2 -1.709 -16.081 -4.564 1.00 41.42 C ATOM 1282 C LYS B 2 -1.201 -15.221 -3.367 1.00 65.43 C ATOM 1283 O LYS B 2 -0.874 -15.740 -2.292 1.00 31.03 O ATOM 1284 CB LYS B 2 -2.517 -17.337 -4.088 1.00 62.24 C ATOM 1285 CG LYS B 2 -1.676 -18.449 -3.405 1.00 74.14 C ATOM 1286 CD LYS B 2 -2.535 -19.617 -2.865 1.00 42.01 C ATOM 1287 CE LYS B 2 -3.235 -20.417 -3.981 1.00 52.12 C ATOM 1288 NZ LYS B 2 -2.259 -21.028 -4.924 1.00 44.33 N ATOM 0 H LYS B 2 0.255 -16.786 -4.895 1.00 64.53 H new ATOM 0 HA LYS B 2 -2.389 -15.458 -5.145 1.00 41.42 H new ATOM 0 HB2 LYS B 2 -3.289 -17.009 -3.392 1.00 62.24 H new ATOM 0 HB3 LYS B 2 -3.027 -17.768 -4.950 1.00 62.24 H new ATOM 0 HG2 LYS B 2 -0.952 -18.839 -4.120 1.00 74.14 H new ATOM 0 HG3 LYS B 2 -1.109 -18.013 -2.583 1.00 74.14 H new ATOM 0 HD2 LYS B 2 -1.901 -20.289 -2.287 1.00 42.01 H new ATOM 0 HD3 LYS B 2 -3.287 -19.222 -2.182 1.00 42.01 H new ATOM 0 HE2 LYS B 2 -3.848 -21.200 -3.536 1.00 52.12 H new ATOM 0 HE3 LYS B 2 -3.908 -19.759 -4.531 1.00 52.12 H new ATOM 0 HZ1 LYS B 2 -2.756 -21.678 -5.565 1.00 44.33 H new ATOM 0 HZ2 LYS B 2 -1.798 -20.279 -5.479 1.00 44.33 H new ATOM 0 HZ3 LYS B 2 -1.540 -21.554 -4.387 1.00 44.33 H new ATOM 1302 N MET B 3 -1.107 -13.892 -3.577 1.00 14.43 N ATOM 1303 CA MET B 3 -0.496 -12.973 -2.590 1.00 63.11 C ATOM 1304 C MET B 3 -0.882 -11.491 -2.855 1.00 32.44 C ATOM 1305 O MET B 3 -1.152 -11.093 -3.992 1.00 53.13 O ATOM 1306 CB MET B 3 1.051 -13.178 -2.606 1.00 45.43 C ATOM 1307 CG MET B 3 1.847 -12.293 -1.641 1.00 5.02 C ATOM 1308 SD MET B 3 1.220 -12.340 0.052 1.00 2.42 S ATOM 1309 CE MET B 3 2.366 -11.241 0.889 1.00 31.01 C ATOM 0 H MET B 3 -1.446 -13.430 -4.421 1.00 14.43 H new ATOM 0 HA MET B 3 -0.882 -13.209 -1.598 1.00 63.11 H new ATOM 0 HB2 MET B 3 1.263 -14.221 -2.373 1.00 45.43 H new ATOM 0 HB3 MET B 3 1.413 -12.998 -3.618 1.00 45.43 H new ATOM 0 HG2 MET B 3 2.890 -12.610 -1.644 1.00 5.02 H new ATOM 0 HG3 MET B 3 1.826 -11.264 -2.001 1.00 5.02 H new ATOM 0 HE1 MET B 3 2.101 -11.174 1.944 1.00 31.01 H new ATOM 0 HE2 MET B 3 3.379 -11.631 0.794 1.00 31.01 H new ATOM 0 HE3 MET B 3 2.315 -10.250 0.438 1.00 31.01 H new ATOM 1319 N LEU B 4 -0.909 -10.689 -1.771 1.00 70.42 N ATOM 1320 CA LEU B 4 -1.107 -9.214 -1.837 1.00 14.21 C ATOM 1321 C LEU B 4 -0.030 -8.549 -2.738 1.00 23.42 C ATOM 1322 O LEU B 4 -0.343 -7.676 -3.542 1.00 70.41 O ATOM 1323 CB LEU B 4 -1.088 -8.600 -0.403 1.00 62.30 C ATOM 1324 CG LEU B 4 -2.382 -8.776 0.473 1.00 4.03 C ATOM 1325 CD1 LEU B 4 -2.756 -10.258 0.714 1.00 11.13 C ATOM 1326 CD2 LEU B 4 -2.240 -8.011 1.812 1.00 33.20 C ATOM 0 H LEU B 4 -0.795 -11.040 -0.820 1.00 70.42 H new ATOM 0 HA LEU B 4 -2.082 -9.018 -2.283 1.00 14.21 H new ATOM 0 HB2 LEU B 4 -0.251 -9.038 0.140 1.00 62.30 H new ATOM 0 HB3 LEU B 4 -0.886 -7.533 -0.495 1.00 62.30 H new ATOM 0 HG LEU B 4 -3.207 -8.345 -0.095 1.00 4.03 H new ATOM 0 HD11 LEU B 4 -3.657 -10.311 1.325 1.00 11.13 H new ATOM 0 HD12 LEU B 4 -2.937 -10.748 -0.243 1.00 11.13 H new ATOM 0 HD13 LEU B 4 -1.938 -10.760 1.230 1.00 11.13 H new ATOM 0 HD21 LEU B 4 -3.145 -8.144 2.405 1.00 33.20 H new ATOM 0 HD22 LEU B 4 -1.384 -8.399 2.364 1.00 33.20 H new ATOM 0 HD23 LEU B 4 -2.091 -6.950 1.611 1.00 33.20 H new ATOM 1338 N LYS B 5 1.233 -8.991 -2.580 1.00 63.22 N ATOM 1339 CA LYS B 5 2.366 -8.620 -3.473 1.00 74.15 C ATOM 1340 C LYS B 5 2.078 -8.969 -4.961 1.00 22.13 C ATOM 1341 O LYS B 5 2.337 -8.158 -5.854 1.00 11.51 O ATOM 1342 CB LYS B 5 3.638 -9.377 -3.006 1.00 45.40 C ATOM 1343 CG LYS B 5 4.888 -9.202 -3.906 1.00 64.12 C ATOM 1344 CD LYS B 5 6.084 -10.076 -3.453 1.00 4.41 C ATOM 1345 CE LYS B 5 6.698 -9.618 -2.117 1.00 54.05 C ATOM 1346 NZ LYS B 5 7.305 -8.269 -2.229 1.00 1.33 N ATOM 0 H LYS B 5 1.505 -9.621 -1.825 1.00 63.22 H new ATOM 0 HA LYS B 5 2.508 -7.541 -3.410 1.00 74.15 H new ATOM 0 HB2 LYS B 5 3.888 -9.044 -1.999 1.00 45.40 H new ATOM 0 HB3 LYS B 5 3.404 -10.440 -2.942 1.00 45.40 H new ATOM 0 HG2 LYS B 5 4.628 -9.456 -4.934 1.00 64.12 H new ATOM 0 HG3 LYS B 5 5.188 -8.154 -3.902 1.00 64.12 H new ATOM 0 HD2 LYS B 5 5.754 -11.111 -3.358 1.00 4.41 H new ATOM 0 HD3 LYS B 5 6.853 -10.056 -4.225 1.00 4.41 H new ATOM 0 HE2 LYS B 5 5.927 -9.608 -1.346 1.00 54.05 H new ATOM 0 HE3 LYS B 5 7.457 -10.334 -1.800 1.00 54.05 H new ATOM 0 HZ1 LYS B 5 7.231 -7.778 -1.315 1.00 1.33 H new ATOM 0 HZ2 LYS B 5 8.307 -8.360 -2.493 1.00 1.33 H new ATOM 0 HZ3 LYS B 5 6.804 -7.722 -2.958 1.00 1.33 H new ATOM 1360 N GLU B 6 1.541 -10.187 -5.193 1.00 73.41 N ATOM 1361 CA GLU B 6 1.279 -10.736 -6.549 1.00 60.01 C ATOM 1362 C GLU B 6 0.338 -9.820 -7.371 1.00 4.32 C ATOM 1363 O GLU B 6 0.694 -9.370 -8.471 1.00 61.11 O ATOM 1364 CB GLU B 6 0.677 -12.167 -6.419 1.00 43.03 C ATOM 1365 CG GLU B 6 0.221 -12.836 -7.735 1.00 0.42 C ATOM 1366 CD GLU B 6 1.356 -13.078 -8.740 1.00 11.11 C ATOM 1367 OE1 GLU B 6 2.183 -13.978 -8.503 1.00 53.55 O ATOM 1368 OE2 GLU B 6 1.434 -12.366 -9.763 1.00 54.23 O ATOM 0 H GLU B 6 1.274 -10.824 -4.442 1.00 73.41 H new ATOM 0 HA GLU B 6 2.225 -10.785 -7.088 1.00 60.01 H new ATOM 0 HB2 GLU B 6 1.420 -12.810 -5.947 1.00 43.03 H new ATOM 0 HB3 GLU B 6 -0.178 -12.119 -5.744 1.00 43.03 H new ATOM 0 HG2 GLU B 6 -0.252 -13.790 -7.501 1.00 0.42 H new ATOM 0 HG3 GLU B 6 -0.538 -12.210 -8.204 1.00 0.42 H new ATOM 1375 N LYS B 7 -0.853 -9.536 -6.808 1.00 65.45 N ATOM 1376 CA LYS B 7 -1.844 -8.631 -7.435 1.00 70.12 C ATOM 1377 C LYS B 7 -1.322 -7.167 -7.514 1.00 10.02 C ATOM 1378 O LYS B 7 -1.592 -6.469 -8.489 1.00 42.54 O ATOM 1379 CB LYS B 7 -3.221 -8.744 -6.698 1.00 22.05 C ATOM 1380 CG LYS B 7 -3.215 -8.457 -5.161 1.00 34.45 C ATOM 1381 CD LYS B 7 -3.468 -6.968 -4.766 1.00 71.14 C ATOM 1382 CE LYS B 7 -4.961 -6.563 -4.729 1.00 53.15 C ATOM 1383 NZ LYS B 7 -5.647 -6.700 -6.040 1.00 50.30 N ATOM 0 H LYS B 7 -1.156 -9.922 -5.914 1.00 65.45 H new ATOM 0 HA LYS B 7 -1.997 -8.946 -8.467 1.00 70.12 H new ATOM 0 HB2 LYS B 7 -3.919 -8.053 -7.171 1.00 22.05 H new ATOM 0 HB3 LYS B 7 -3.611 -9.750 -6.856 1.00 22.05 H new ATOM 0 HG2 LYS B 7 -3.977 -9.077 -4.688 1.00 34.45 H new ATOM 0 HG3 LYS B 7 -2.253 -8.767 -4.753 1.00 34.45 H new ATOM 0 HD2 LYS B 7 -3.030 -6.785 -3.785 1.00 71.14 H new ATOM 0 HD3 LYS B 7 -2.946 -6.323 -5.473 1.00 71.14 H new ATOM 0 HE2 LYS B 7 -5.478 -7.178 -3.992 1.00 53.15 H new ATOM 0 HE3 LYS B 7 -5.040 -5.529 -4.393 1.00 53.15 H new ATOM 0 HZ1 LYS B 7 -6.440 -6.029 -6.089 1.00 50.30 H new ATOM 0 HZ2 LYS B 7 -4.974 -6.498 -6.807 1.00 50.30 H new ATOM 0 HZ3 LYS B 7 -6.008 -7.670 -6.143 1.00 50.30 H new ATOM 1397 N ALA B 8 -0.529 -6.743 -6.497 1.00 25.40 N ATOM 1398 CA ALA B 8 0.058 -5.372 -6.414 1.00 61.11 C ATOM 1399 C ALA B 8 1.024 -5.071 -7.583 1.00 10.30 C ATOM 1400 O ALA B 8 1.047 -3.955 -8.109 1.00 3.45 O ATOM 1401 CB ALA B 8 0.791 -5.184 -5.075 1.00 51.20 C ATOM 0 H ALA B 8 -0.276 -7.339 -5.709 1.00 25.40 H new ATOM 0 HA ALA B 8 -0.772 -4.668 -6.483 1.00 61.11 H new ATOM 0 HB1 ALA B 8 1.213 -4.180 -5.029 1.00 51.20 H new ATOM 0 HB2 ALA B 8 0.088 -5.320 -4.253 1.00 51.20 H new ATOM 0 HB3 ALA B 8 1.592 -5.919 -4.992 1.00 51.20 H new ATOM 1407 N GLY B 9 1.818 -6.086 -7.970 1.00 24.42 N ATOM 1408 CA GLY B 9 2.757 -5.972 -9.095 1.00 10.25 C ATOM 1409 C GLY B 9 2.067 -5.830 -10.458 1.00 33.31 C ATOM 1410 O GLY B 9 2.521 -5.070 -11.320 1.00 34.25 O ATOM 0 H GLY B 9 1.826 -6.999 -7.515 1.00 24.42 H new ATOM 0 HA2 GLY B 9 3.403 -5.109 -8.932 1.00 10.25 H new ATOM 0 HA3 GLY B 9 3.399 -6.852 -9.112 1.00 10.25 H new ATOM 1414 N ALA B 10 0.967 -6.584 -10.643 1.00 34.02 N ATOM 1415 CA ALA B 10 0.095 -6.475 -11.839 1.00 0.23 C ATOM 1416 C ALA B 10 -0.611 -5.094 -11.913 1.00 5.33 C ATOM 1417 O ALA B 10 -0.861 -4.568 -13.001 1.00 23.34 O ATOM 1418 CB ALA B 10 -0.942 -7.606 -11.838 1.00 3.14 C ATOM 0 H ALA B 10 0.654 -7.286 -9.972 1.00 34.02 H new ATOM 0 HA ALA B 10 0.727 -6.567 -12.722 1.00 0.23 H new ATOM 0 HB1 ALA B 10 -1.577 -7.518 -12.719 1.00 3.14 H new ATOM 0 HB2 ALA B 10 -0.431 -8.568 -11.854 1.00 3.14 H new ATOM 0 HB3 ALA B 10 -1.556 -7.536 -10.940 1.00 3.14 H new ATOM 1424 N LEU B 11 -0.930 -4.529 -10.735 1.00 0.51 N ATOM 1425 CA LEU B 11 -1.522 -3.177 -10.603 1.00 1.11 C ATOM 1426 C LEU B 11 -0.478 -2.071 -10.843 1.00 42.24 C ATOM 1427 O LEU B 11 -0.809 -1.003 -11.362 1.00 63.45 O ATOM 1428 CB LEU B 11 -2.149 -3.030 -9.195 1.00 32.33 C ATOM 1429 CG LEU B 11 -3.386 -3.937 -8.932 1.00 10.10 C ATOM 1430 CD1 LEU B 11 -3.736 -4.006 -7.437 1.00 3.23 C ATOM 1431 CD2 LEU B 11 -4.586 -3.482 -9.784 1.00 34.54 C ATOM 0 H LEU B 11 -0.785 -4.997 -9.840 1.00 0.51 H new ATOM 0 HA LEU B 11 -2.293 -3.063 -11.365 1.00 1.11 H new ATOM 0 HB2 LEU B 11 -1.387 -3.254 -8.448 1.00 32.33 H new ATOM 0 HB3 LEU B 11 -2.442 -1.990 -9.050 1.00 32.33 H new ATOM 0 HG LEU B 11 -3.128 -4.951 -9.237 1.00 10.10 H new ATOM 0 HD11 LEU B 11 -4.605 -4.649 -7.296 1.00 3.23 H new ATOM 0 HD12 LEU B 11 -2.890 -4.413 -6.884 1.00 3.23 H new ATOM 0 HD13 LEU B 11 -3.962 -3.005 -7.070 1.00 3.23 H new ATOM 0 HD21 LEU B 11 -5.440 -4.129 -9.585 1.00 34.54 H new ATOM 0 HD22 LEU B 11 -4.843 -2.454 -9.530 1.00 34.54 H new ATOM 0 HD23 LEU B 11 -4.325 -3.541 -10.841 1.00 34.54 H new ATOM 1443 N ALA B 12 0.784 -2.356 -10.477 1.00 15.44 N ATOM 1444 CA ALA B 12 1.907 -1.395 -10.576 1.00 32.24 C ATOM 1445 C ALA B 12 2.062 -0.786 -11.997 1.00 3.41 C ATOM 1446 O ALA B 12 2.065 0.439 -12.163 1.00 35.25 O ATOM 1447 CB ALA B 12 3.215 -2.079 -10.130 1.00 53.21 C ATOM 0 H ALA B 12 1.060 -3.263 -10.102 1.00 15.44 H new ATOM 0 HA ALA B 12 1.681 -0.561 -9.911 1.00 32.24 H new ATOM 0 HB1 ALA B 12 4.040 -1.370 -10.204 1.00 53.21 H new ATOM 0 HB2 ALA B 12 3.116 -2.415 -9.098 1.00 53.21 H new ATOM 0 HB3 ALA B 12 3.415 -2.936 -10.773 1.00 53.21 H new ATOM 1453 N GLY B 13 2.156 -1.666 -12.999 1.00 12.41 N ATOM 1454 CA GLY B 13 2.232 -1.259 -14.414 1.00 10.20 C ATOM 1455 C GLY B 13 1.008 -0.469 -14.913 1.00 64.50 C ATOM 1456 O GLY B 13 1.140 0.398 -15.780 1.00 13.00 O ATOM 0 H GLY B 13 2.182 -2.676 -12.858 1.00 12.41 H new ATOM 0 HA2 GLY B 13 3.125 -0.651 -14.558 1.00 10.20 H new ATOM 0 HA3 GLY B 13 2.351 -2.150 -15.030 1.00 10.20 H new ATOM 1460 N GLN B 14 -0.180 -0.768 -14.349 1.00 10.33 N ATOM 1461 CA GLN B 14 -1.461 -0.127 -14.748 1.00 33.22 C ATOM 1462 C GLN B 14 -1.571 1.336 -14.222 1.00 72.54 C ATOM 1463 O GLN B 14 -1.901 2.252 -14.988 1.00 0.14 O ATOM 1464 CB GLN B 14 -2.664 -0.984 -14.259 1.00 34.14 C ATOM 1465 CG GLN B 14 -2.644 -2.442 -14.776 1.00 32.13 C ATOM 1466 CD GLN B 14 -3.893 -3.241 -14.396 1.00 75.51 C ATOM 1467 OE1 GLN B 14 -4.873 -3.279 -15.134 1.00 31.21 O ATOM 1468 NE2 GLN B 14 -3.873 -3.884 -13.250 1.00 24.43 N ATOM 0 H GLN B 14 -0.284 -1.458 -13.605 1.00 10.33 H new ATOM 0 HA GLN B 14 -1.482 -0.076 -15.837 1.00 33.22 H new ATOM 0 HB2 GLN B 14 -2.671 -0.995 -13.169 1.00 34.14 H new ATOM 0 HB3 GLN B 14 -3.591 -0.508 -14.579 1.00 34.14 H new ATOM 0 HG2 GLN B 14 -2.544 -2.433 -15.861 1.00 32.13 H new ATOM 0 HG3 GLN B 14 -1.764 -2.948 -14.379 1.00 32.13 H new ATOM 0 HE21 GLN B 14 -3.047 -3.837 -12.653 1.00 24.43 H new ATOM 0 HE22 GLN B 14 -4.684 -4.430 -12.957 1.00 24.43 H new ATOM 1477 N ILE B 15 -1.304 1.545 -12.905 1.00 12.44 N ATOM 1478 CA ILE B 15 -1.303 2.901 -12.270 1.00 34.45 C ATOM 1479 C ILE B 15 -0.206 3.800 -12.918 1.00 11.54 C ATOM 1480 O ILE B 15 -0.424 4.999 -13.160 1.00 75.13 O ATOM 1481 CB ILE B 15 -1.136 2.827 -10.679 1.00 31.13 C ATOM 1482 CG1 ILE B 15 -2.460 2.361 -9.954 1.00 43.41 C ATOM 1483 CG2 ILE B 15 -0.670 4.182 -10.073 1.00 60.03 C ATOM 1484 CD1 ILE B 15 -2.938 0.952 -10.246 1.00 21.24 C ATOM 0 H ILE B 15 -1.085 0.790 -12.255 1.00 12.44 H new ATOM 0 HA ILE B 15 -2.277 3.354 -12.456 1.00 34.45 H new ATOM 0 HB ILE B 15 -0.363 2.079 -10.505 1.00 31.13 H new ATOM 0 HG12 ILE B 15 -2.309 2.453 -8.878 1.00 43.41 H new ATOM 0 HG13 ILE B 15 -3.257 3.053 -10.224 1.00 43.41 H new ATOM 0 HG21 ILE B 15 -0.571 4.082 -8.992 1.00 60.03 H new ATOM 0 HG22 ILE B 15 0.293 4.460 -10.501 1.00 60.03 H new ATOM 0 HG23 ILE B 15 -1.405 4.954 -10.300 1.00 60.03 H new ATOM 0 HD11 ILE B 15 -3.854 0.756 -9.688 1.00 21.24 H new ATOM 0 HD12 ILE B 15 -3.134 0.848 -11.313 1.00 21.24 H new ATOM 0 HD13 ILE B 15 -2.171 0.238 -9.947 1.00 21.24 H new ATOM 1496 N TRP B 16 0.951 3.179 -13.234 1.00 53.35 N ATOM 1497 CA TRP B 16 2.057 3.822 -13.983 1.00 54.32 C ATOM 1498 C TRP B 16 1.566 4.312 -15.370 1.00 42.44 C ATOM 1499 O TRP B 16 1.813 5.457 -15.767 1.00 54.42 O ATOM 1500 CB TRP B 16 3.227 2.812 -14.166 1.00 21.33 C ATOM 1501 CG TRP B 16 4.522 3.446 -14.628 1.00 53.55 C ATOM 1502 CD1 TRP B 16 5.530 3.924 -13.833 1.00 31.12 C ATOM 1503 CD2 TRP B 16 4.937 3.689 -15.983 1.00 54.31 C ATOM 1504 NE1 TRP B 16 6.531 4.447 -14.607 1.00 51.14 N ATOM 1505 CE2 TRP B 16 6.189 4.321 -15.927 1.00 41.35 C ATOM 1506 CE3 TRP B 16 4.360 3.448 -17.237 1.00 75.04 C ATOM 1507 CZ2 TRP B 16 6.886 4.701 -17.073 1.00 21.33 C ATOM 1508 CZ3 TRP B 16 5.048 3.827 -18.371 1.00 42.14 C ATOM 1509 CH2 TRP B 16 6.296 4.453 -18.284 1.00 64.22 C ATOM 0 H TRP B 16 1.147 2.212 -12.976 1.00 53.35 H new ATOM 0 HA TRP B 16 2.406 4.683 -13.414 1.00 54.32 H new ATOM 0 HB2 TRP B 16 3.403 2.300 -13.220 1.00 21.33 H new ATOM 0 HB3 TRP B 16 2.928 2.053 -14.889 1.00 21.33 H new ATOM 0 HD1 TRP B 16 5.534 3.893 -12.753 1.00 31.12 H new ATOM 0 HE1 TRP B 16 7.393 4.864 -14.256 1.00 51.14 H new ATOM 0 HE3 TRP B 16 3.393 2.974 -17.314 1.00 75.04 H new ATOM 0 HZ2 TRP B 16 7.855 5.173 -17.008 1.00 21.33 H new ATOM 0 HZ3 TRP B 16 4.616 3.637 -19.342 1.00 42.14 H new ATOM 0 HH2 TRP B 16 6.805 4.747 -19.190 1.00 64.22 H new ATOM 1520 N GLU B 17 0.864 3.410 -16.080 1.00 51.01 N ATOM 1521 CA GLU B 17 0.321 3.657 -17.433 1.00 72.02 C ATOM 1522 C GLU B 17 -0.690 4.836 -17.442 1.00 4.20 C ATOM 1523 O GLU B 17 -0.700 5.653 -18.373 1.00 5.02 O ATOM 1524 CB GLU B 17 -0.361 2.365 -17.960 1.00 43.01 C ATOM 1525 CG GLU B 17 -0.934 2.468 -19.387 1.00 63.22 C ATOM 1526 CD GLU B 17 -1.686 1.203 -19.845 1.00 21.43 C ATOM 1527 OE1 GLU B 17 -2.799 0.950 -19.338 1.00 44.13 O ATOM 1528 OE2 GLU B 17 -1.168 0.452 -20.706 1.00 20.34 O ATOM 0 H GLU B 17 0.654 2.476 -15.728 1.00 51.01 H new ATOM 0 HA GLU B 17 1.149 3.932 -18.086 1.00 72.02 H new ATOM 0 HB2 GLU B 17 0.365 1.552 -17.934 1.00 43.01 H new ATOM 0 HB3 GLU B 17 -1.168 2.094 -17.279 1.00 43.01 H new ATOM 0 HG2 GLU B 17 -1.611 3.321 -19.436 1.00 63.22 H new ATOM 0 HG3 GLU B 17 -0.119 2.668 -20.083 1.00 63.22 H new ATOM 1535 N ALA B 18 -1.523 4.919 -16.387 1.00 2.22 N ATOM 1536 CA ALA B 18 -2.521 6.003 -16.221 1.00 61.33 C ATOM 1537 C ALA B 18 -1.843 7.394 -16.068 1.00 71.33 C ATOM 1538 O ALA B 18 -2.375 8.415 -16.516 1.00 53.40 O ATOM 1539 CB ALA B 18 -3.416 5.702 -15.010 1.00 60.15 C ATOM 0 H ALA B 18 -1.526 4.240 -15.626 1.00 2.22 H new ATOM 0 HA ALA B 18 -3.133 6.041 -17.122 1.00 61.33 H new ATOM 0 HB1 ALA B 18 -4.148 6.501 -14.891 1.00 60.15 H new ATOM 0 HB2 ALA B 18 -3.934 4.756 -15.166 1.00 60.15 H new ATOM 0 HB3 ALA B 18 -2.802 5.636 -14.112 1.00 60.15 H new ATOM 1545 N LEU B 19 -0.661 7.407 -15.434 1.00 43.20 N ATOM 1546 CA LEU B 19 0.156 8.625 -15.241 1.00 53.44 C ATOM 1547 C LEU B 19 1.091 8.909 -16.446 1.00 31.44 C ATOM 1548 O LEU B 19 1.558 10.040 -16.620 1.00 50.24 O ATOM 1549 CB LEU B 19 0.976 8.474 -13.939 1.00 41.44 C ATOM 1550 CG LEU B 19 0.134 8.370 -12.631 1.00 5.12 C ATOM 1551 CD1 LEU B 19 1.022 8.014 -11.422 1.00 23.24 C ATOM 1552 CD2 LEU B 19 -0.664 9.674 -12.390 1.00 62.31 C ATOM 0 H LEU B 19 -0.238 6.569 -15.036 1.00 43.20 H new ATOM 0 HA LEU B 19 -0.516 9.480 -15.166 1.00 53.44 H new ATOM 0 HB2 LEU B 19 1.599 7.584 -14.022 1.00 41.44 H new ATOM 0 HB3 LEU B 19 1.649 9.327 -13.852 1.00 41.44 H new ATOM 0 HG LEU B 19 -0.584 7.559 -12.752 1.00 5.12 H new ATOM 0 HD11 LEU B 19 0.406 7.949 -10.525 1.00 23.24 H new ATOM 0 HD12 LEU B 19 1.509 7.055 -11.598 1.00 23.24 H new ATOM 0 HD13 LEU B 19 1.779 8.786 -11.287 1.00 23.24 H new ATOM 0 HD21 LEU B 19 -1.245 9.581 -11.472 1.00 62.31 H new ATOM 0 HD22 LEU B 19 0.027 10.512 -12.298 1.00 62.31 H new ATOM 0 HD23 LEU B 19 -1.337 9.849 -13.229 1.00 62.31 H new ATOM 1564 N ASN B 20 1.368 7.882 -17.268 1.00 41.05 N ATOM 1565 CA ASN B 20 2.235 8.023 -18.453 1.00 50.42 C ATOM 1566 C ASN B 20 1.556 8.907 -19.531 1.00 0.24 C ATOM 1567 O ASN B 20 0.468 8.580 -20.023 1.00 31.50 O ATOM 1568 CB ASN B 20 2.598 6.627 -19.024 1.00 44.31 C ATOM 1569 CG ASN B 20 3.570 6.688 -20.207 1.00 52.21 C ATOM 1570 OD1 ASN B 20 4.484 7.506 -20.234 1.00 13.50 O ATOM 1571 ND2 ASN B 20 3.362 5.859 -21.211 1.00 4.15 N ATOM 0 H ASN B 20 1.002 6.940 -17.133 1.00 41.05 H new ATOM 0 HA ASN B 20 3.157 8.519 -18.150 1.00 50.42 H new ATOM 0 HB2 ASN B 20 3.039 6.022 -18.232 1.00 44.31 H new ATOM 0 HB3 ASN B 20 1.685 6.123 -19.339 1.00 44.31 H new ATOM 0 HD21 ASN B 20 3.967 5.890 -22.032 1.00 4.15 H new ATOM 0 HD22 ASN B 20 2.596 5.187 -21.167 1.00 4.15 H new ATOM 1578 N GLY B 21 2.213 10.030 -19.873 1.00 72.21 N ATOM 1579 CA GLY B 21 1.678 11.003 -20.840 1.00 34.12 C ATOM 1580 C GLY B 21 0.793 12.099 -20.223 1.00 63.13 C ATOM 1581 O GLY B 21 0.190 12.891 -20.958 1.00 35.55 O ATOM 0 H GLY B 21 3.123 10.286 -19.490 1.00 72.21 H new ATOM 0 HA2 GLY B 21 2.512 11.477 -21.358 1.00 34.12 H new ATOM 0 HA3 GLY B 21 1.099 10.467 -21.592 1.00 34.12 H new ATOM 1585 N THR B 22 0.720 12.156 -18.876 1.00 13.30 N ATOM 1586 CA THR B 22 -0.040 13.207 -18.138 1.00 51.42 C ATOM 1587 C THR B 22 0.908 14.059 -17.265 1.00 21.45 C ATOM 1588 O THR B 22 2.066 13.689 -17.038 1.00 72.43 O ATOM 1589 CB THR B 22 -1.174 12.604 -17.222 1.00 2.10 C ATOM 1590 OG1 THR B 22 -0.614 11.813 -16.158 1.00 41.43 O ATOM 1591 CG2 THR B 22 -2.168 11.747 -18.027 1.00 10.34 C ATOM 0 H THR B 22 1.181 11.482 -18.265 1.00 13.30 H new ATOM 0 HA THR B 22 -0.511 13.831 -18.897 1.00 51.42 H new ATOM 0 HB THR B 22 -1.714 13.450 -16.797 1.00 2.10 H new ATOM 0 HG1 THR B 22 0.170 11.327 -16.489 1.00 41.43 H new ATOM 0 HG21 THR B 22 -2.932 11.351 -17.358 1.00 10.34 H new ATOM 0 HG22 THR B 22 -2.640 12.361 -18.794 1.00 10.34 H new ATOM 0 HG23 THR B 22 -1.637 10.921 -18.500 1.00 10.34 H new ATOM 1599 N GLU B 23 0.408 15.218 -16.796 1.00 53.30 N ATOM 1600 CA GLU B 23 1.127 16.087 -15.831 1.00 13.40 C ATOM 1601 C GLU B 23 0.880 15.608 -14.378 1.00 63.04 C ATOM 1602 O GLU B 23 1.530 16.076 -13.434 1.00 52.52 O ATOM 1603 CB GLU B 23 0.682 17.577 -15.968 1.00 43.21 C ATOM 1604 CG GLU B 23 0.844 18.212 -17.375 1.00 72.42 C ATOM 1605 CD GLU B 23 -0.194 17.730 -18.412 1.00 5.02 C ATOM 1606 OE1 GLU B 23 -1.379 18.106 -18.291 1.00 20.30 O ATOM 1607 OE2 GLU B 23 0.163 16.957 -19.330 1.00 73.54 O ATOM 0 H GLU B 23 -0.504 15.582 -17.072 1.00 53.30 H new ATOM 0 HA GLU B 23 2.191 16.018 -16.060 1.00 13.40 H new ATOM 0 HB2 GLU B 23 -0.366 17.650 -15.677 1.00 43.21 H new ATOM 0 HB3 GLU B 23 1.253 18.172 -15.255 1.00 43.21 H new ATOM 0 HG2 GLU B 23 0.772 19.296 -17.282 1.00 72.42 H new ATOM 0 HG3 GLU B 23 1.844 17.990 -17.748 1.00 72.42 H new ATOM 1614 N GLY B 24 -0.074 14.672 -14.221 1.00 42.11 N ATOM 1615 CA GLY B 24 -0.495 14.167 -12.915 1.00 45.54 C ATOM 1616 C GLY B 24 -2.004 13.963 -12.833 1.00 32.30 C ATOM 1617 O GLY B 24 -2.768 14.734 -13.420 1.00 54.21 O ATOM 0 H GLY B 24 -0.572 14.248 -15.003 1.00 42.11 H new ATOM 0 HA2 GLY B 24 0.009 13.222 -12.714 1.00 45.54 H new ATOM 0 HA3 GLY B 24 -0.182 14.866 -12.139 1.00 45.54 H new ATOM 1621 N LEU B 25 -2.440 12.932 -12.090 1.00 73.34 N ATOM 1622 CA LEU B 25 -3.877 12.618 -11.889 1.00 42.14 C ATOM 1623 C LEU B 25 -4.174 12.348 -10.399 1.00 65.13 C ATOM 1624 O LEU B 25 -3.268 12.035 -9.620 1.00 62.11 O ATOM 1625 CB LEU B 25 -4.308 11.383 -12.740 1.00 10.45 C ATOM 1626 CG LEU B 25 -4.324 11.564 -14.291 1.00 50.32 C ATOM 1627 CD1 LEU B 25 -4.678 10.242 -15.003 1.00 2.52 C ATOM 1628 CD2 LEU B 25 -5.287 12.696 -14.710 1.00 13.11 C ATOM 0 H LEU B 25 -1.811 12.289 -11.609 1.00 73.34 H new ATOM 0 HA LEU B 25 -4.451 13.485 -12.216 1.00 42.14 H new ATOM 0 HB2 LEU B 25 -3.638 10.557 -12.502 1.00 10.45 H new ATOM 0 HB3 LEU B 25 -5.307 11.085 -12.423 1.00 10.45 H new ATOM 0 HG LEU B 25 -3.319 11.850 -14.601 1.00 50.32 H new ATOM 0 HD11 LEU B 25 -4.681 10.399 -16.082 1.00 2.52 H new ATOM 0 HD12 LEU B 25 -3.938 9.483 -14.749 1.00 2.52 H new ATOM 0 HD13 LEU B 25 -5.665 9.909 -14.682 1.00 2.52 H new ATOM 0 HD21 LEU B 25 -5.277 12.799 -15.795 1.00 13.11 H new ATOM 0 HD22 LEU B 25 -6.297 12.456 -14.377 1.00 13.11 H new ATOM 0 HD23 LEU B 25 -4.968 13.633 -14.254 1.00 13.11 H new ATOM 1640 N THR B 26 -5.461 12.477 -10.019 1.00 64.13 N ATOM 1641 CA THR B 26 -5.946 12.137 -8.657 1.00 34.13 C ATOM 1642 C THR B 26 -6.266 10.631 -8.549 1.00 75.23 C ATOM 1643 O THR B 26 -6.468 9.963 -9.571 1.00 11.12 O ATOM 1644 CB THR B 26 -7.229 12.948 -8.273 1.00 34.33 C ATOM 1645 OG1 THR B 26 -8.347 12.544 -9.085 1.00 51.44 O ATOM 1646 CG2 THR B 26 -7.024 14.464 -8.410 1.00 51.51 C ATOM 0 H THR B 26 -6.194 12.818 -10.641 1.00 64.13 H new ATOM 0 HA THR B 26 -5.144 12.399 -7.967 1.00 34.13 H new ATOM 0 HB THR B 26 -7.435 12.728 -7.225 1.00 34.33 H new ATOM 0 HG1 THR B 26 -9.140 13.060 -8.830 1.00 51.44 H new ATOM 0 HG21 THR B 26 -7.942 14.982 -8.132 1.00 51.51 H new ATOM 0 HG22 THR B 26 -6.215 14.783 -7.753 1.00 51.51 H new ATOM 0 HG23 THR B 26 -6.769 14.705 -9.442 1.00 51.51 H new ATOM 1654 N GLN B 27 -6.343 10.117 -7.302 1.00 21.51 N ATOM 1655 CA GLN B 27 -6.641 8.688 -7.019 1.00 23.43 C ATOM 1656 C GLN B 27 -7.946 8.202 -7.696 1.00 64.33 C ATOM 1657 O GLN B 27 -8.019 7.068 -8.179 1.00 31.30 O ATOM 1658 CB GLN B 27 -6.686 8.438 -5.487 1.00 41.54 C ATOM 1659 CG GLN B 27 -7.627 9.357 -4.676 1.00 45.10 C ATOM 1660 CD GLN B 27 -7.658 9.036 -3.175 1.00 61.02 C ATOM 1661 OE1 GLN B 27 -7.785 9.930 -2.339 1.00 42.51 O ATOM 1662 NE2 GLN B 27 -7.596 7.766 -2.809 1.00 54.23 N ATOM 0 H GLN B 27 -6.201 10.677 -6.461 1.00 21.51 H new ATOM 0 HA GLN B 27 -5.831 8.101 -7.452 1.00 23.43 H new ATOM 0 HB2 GLN B 27 -6.986 7.404 -5.317 1.00 41.54 H new ATOM 0 HB3 GLN B 27 -5.676 8.546 -5.092 1.00 41.54 H new ATOM 0 HG2 GLN B 27 -7.315 10.393 -4.811 1.00 45.10 H new ATOM 0 HG3 GLN B 27 -8.637 9.274 -5.078 1.00 45.10 H new ATOM 0 HE21 GLN B 27 -7.491 7.037 -3.514 1.00 54.23 H new ATOM 0 HE22 GLN B 27 -7.654 7.516 -1.822 1.00 54.23 H new ATOM 1671 N LYS B 28 -8.956 9.086 -7.725 1.00 1.21 N ATOM 1672 CA LYS B 28 -10.232 8.852 -8.434 1.00 63.43 C ATOM 1673 C LYS B 28 -10.027 8.633 -9.964 1.00 72.53 C ATOM 1674 O LYS B 28 -10.484 7.626 -10.524 1.00 10.22 O ATOM 1675 CB LYS B 28 -11.177 10.060 -8.196 1.00 43.11 C ATOM 1676 CG LYS B 28 -12.501 10.013 -8.990 1.00 55.54 C ATOM 1677 CD LYS B 28 -13.372 11.262 -8.759 1.00 0.40 C ATOM 1678 CE LYS B 28 -14.593 11.296 -9.688 1.00 43.44 C ATOM 1679 NZ LYS B 28 -14.201 11.345 -11.125 1.00 42.02 N ATOM 0 H LYS B 28 -8.914 9.990 -7.255 1.00 1.21 H new ATOM 0 HA LYS B 28 -10.674 7.939 -8.035 1.00 63.43 H new ATOM 0 HB2 LYS B 28 -11.409 10.118 -7.133 1.00 43.11 H new ATOM 0 HB3 LYS B 28 -10.646 10.976 -8.456 1.00 43.11 H new ATOM 0 HG2 LYS B 28 -12.280 9.920 -10.053 1.00 55.54 H new ATOM 0 HG3 LYS B 28 -13.062 9.124 -8.702 1.00 55.54 H new ATOM 0 HD2 LYS B 28 -13.706 11.283 -7.722 1.00 0.40 H new ATOM 0 HD3 LYS B 28 -12.771 12.157 -8.919 1.00 0.40 H new ATOM 0 HE2 LYS B 28 -15.208 10.414 -9.510 1.00 43.44 H new ATOM 0 HE3 LYS B 28 -15.206 12.165 -9.450 1.00 43.44 H new ATOM 0 HZ1 LYS B 28 -15.018 11.637 -11.698 1.00 42.02 H new ATOM 0 HZ2 LYS B 28 -13.428 12.029 -11.251 1.00 42.02 H new ATOM 0 HZ3 LYS B 28 -13.882 10.403 -11.430 1.00 42.02 H new ATOM 1693 N GLN B 29 -9.315 9.576 -10.617 1.00 41.30 N ATOM 1694 CA GLN B 29 -9.166 9.607 -12.099 1.00 74.55 C ATOM 1695 C GLN B 29 -8.271 8.468 -12.636 1.00 51.40 C ATOM 1696 O GLN B 29 -8.479 7.974 -13.753 1.00 2.13 O ATOM 1697 CB GLN B 29 -8.606 10.982 -12.552 1.00 51.34 C ATOM 1698 CG GLN B 29 -9.459 12.212 -12.149 1.00 24.53 C ATOM 1699 CD GLN B 29 -10.865 12.303 -12.790 1.00 13.52 C ATOM 1700 OE1 GLN B 29 -11.528 11.307 -13.077 1.00 71.05 O ATOM 1701 NE2 GLN B 29 -11.335 13.513 -13.014 1.00 3.33 N ATOM 0 H GLN B 29 -8.828 10.335 -10.141 1.00 41.30 H new ATOM 0 HA GLN B 29 -10.160 9.456 -12.520 1.00 74.55 H new ATOM 0 HB2 GLN B 29 -7.606 11.103 -12.136 1.00 51.34 H new ATOM 0 HB3 GLN B 29 -8.501 10.973 -13.637 1.00 51.34 H new ATOM 0 HG2 GLN B 29 -9.575 12.209 -11.065 1.00 24.53 H new ATOM 0 HG3 GLN B 29 -8.905 13.114 -12.408 1.00 24.53 H new ATOM 0 HE21 GLN B 29 -10.775 14.331 -12.771 1.00 3.33 H new ATOM 0 HE22 GLN B 29 -12.259 13.632 -13.430 1.00 3.33 H new ATOM 1710 N ILE B 30 -7.277 8.064 -11.830 1.00 14.11 N ATOM 1711 CA ILE B 30 -6.377 6.940 -12.159 1.00 14.54 C ATOM 1712 C ILE B 30 -7.150 5.602 -12.223 1.00 22.21 C ATOM 1713 O ILE B 30 -6.934 4.811 -13.137 1.00 11.21 O ATOM 1714 CB ILE B 30 -5.198 6.857 -11.117 1.00 54.45 C ATOM 1715 CG1 ILE B 30 -4.360 8.169 -11.175 1.00 53.00 C ATOM 1716 CG2 ILE B 30 -4.297 5.613 -11.332 1.00 61.44 C ATOM 1717 CD1 ILE B 30 -3.294 8.311 -10.110 1.00 72.02 C ATOM 0 H ILE B 30 -7.072 8.504 -10.933 1.00 14.11 H new ATOM 0 HA ILE B 30 -5.954 7.124 -13.147 1.00 14.54 H new ATOM 0 HB ILE B 30 -5.637 6.747 -10.125 1.00 54.45 H new ATOM 0 HG12 ILE B 30 -3.882 8.231 -12.153 1.00 53.00 H new ATOM 0 HG13 ILE B 30 -5.040 9.017 -11.098 1.00 53.00 H new ATOM 0 HG21 ILE B 30 -3.502 5.607 -10.587 1.00 61.44 H new ATOM 0 HG22 ILE B 30 -4.896 4.708 -11.231 1.00 61.44 H new ATOM 0 HG23 ILE B 30 -3.859 5.649 -12.330 1.00 61.44 H new ATOM 0 HD11 ILE B 30 -2.771 9.258 -10.242 1.00 72.02 H new ATOM 0 HD12 ILE B 30 -3.759 8.288 -9.124 1.00 72.02 H new ATOM 0 HD13 ILE B 30 -2.583 7.489 -10.195 1.00 72.02 H new ATOM 1729 N LYS B 31 -8.080 5.381 -11.267 1.00 61.31 N ATOM 1730 CA LYS B 31 -8.922 4.151 -11.230 1.00 61.43 C ATOM 1731 C LYS B 31 -9.780 3.981 -12.514 1.00 62.33 C ATOM 1732 O LYS B 31 -10.042 2.860 -12.943 1.00 42.22 O ATOM 1733 CB LYS B 31 -9.834 4.131 -9.980 1.00 4.33 C ATOM 1734 CG LYS B 31 -9.083 4.044 -8.631 1.00 21.15 C ATOM 1735 CD LYS B 31 -10.044 3.957 -7.425 1.00 5.44 C ATOM 1736 CE LYS B 31 -11.013 5.148 -7.333 1.00 12.12 C ATOM 1737 NZ LYS B 31 -11.988 5.000 -6.221 1.00 1.11 N ATOM 0 H LYS B 31 -8.271 6.035 -10.508 1.00 61.31 H new ATOM 0 HA LYS B 31 -8.231 3.310 -11.178 1.00 61.43 H new ATOM 0 HB2 LYS B 31 -10.448 5.032 -9.981 1.00 4.33 H new ATOM 0 HB3 LYS B 31 -10.514 3.282 -10.057 1.00 4.33 H new ATOM 0 HG2 LYS B 31 -8.432 3.170 -8.637 1.00 21.15 H new ATOM 0 HG3 LYS B 31 -8.442 4.918 -8.518 1.00 21.15 H new ATOM 0 HD2 LYS B 31 -10.619 3.034 -7.493 1.00 5.44 H new ATOM 0 HD3 LYS B 31 -9.460 3.901 -6.507 1.00 5.44 H new ATOM 0 HE2 LYS B 31 -10.443 6.067 -7.193 1.00 12.12 H new ATOM 0 HE3 LYS B 31 -11.552 5.248 -8.275 1.00 12.12 H new ATOM 0 HZ1 LYS B 31 -12.829 5.579 -6.418 1.00 1.11 H new ATOM 0 HZ2 LYS B 31 -12.267 4.002 -6.135 1.00 1.11 H new ATOM 0 HZ3 LYS B 31 -11.551 5.315 -5.332 1.00 1.11 H new ATOM 1751 N LYS B 32 -10.186 5.106 -13.126 1.00 44.50 N ATOM 1752 CA LYS B 32 -10.939 5.100 -14.401 1.00 21.44 C ATOM 1753 C LYS B 32 -10.030 4.534 -15.539 1.00 14.51 C ATOM 1754 O LYS B 32 -10.410 3.591 -16.247 1.00 20.41 O ATOM 1755 CB LYS B 32 -11.440 6.552 -14.717 1.00 43.45 C ATOM 1756 CG LYS B 32 -12.603 6.690 -15.746 1.00 33.22 C ATOM 1757 CD LYS B 32 -12.230 6.281 -17.195 1.00 64.43 C ATOM 1758 CE LYS B 32 -13.347 6.564 -18.213 1.00 74.51 C ATOM 1759 NZ LYS B 32 -13.586 8.024 -18.374 1.00 64.14 N ATOM 0 H LYS B 32 -10.006 6.040 -12.758 1.00 44.50 H new ATOM 0 HA LYS B 32 -11.814 4.455 -14.323 1.00 21.44 H new ATOM 0 HB2 LYS B 32 -11.759 7.012 -13.781 1.00 43.45 H new ATOM 0 HB3 LYS B 32 -10.592 7.131 -15.084 1.00 43.45 H new ATOM 0 HG2 LYS B 32 -13.441 6.077 -15.413 1.00 33.22 H new ATOM 0 HG3 LYS B 32 -12.947 7.724 -15.751 1.00 33.22 H new ATOM 0 HD2 LYS B 32 -11.329 6.816 -17.496 1.00 64.43 H new ATOM 0 HD3 LYS B 32 -11.990 5.218 -17.215 1.00 64.43 H new ATOM 0 HE2 LYS B 32 -13.080 6.130 -19.177 1.00 74.51 H new ATOM 0 HE3 LYS B 32 -14.267 6.078 -17.889 1.00 74.51 H new ATOM 0 HZ1 LYS B 32 -14.219 8.185 -19.183 1.00 64.14 H new ATOM 0 HZ2 LYS B 32 -14.025 8.401 -17.510 1.00 64.14 H new ATOM 0 HZ3 LYS B 32 -12.681 8.508 -18.542 1.00 64.14 H new ATOM 1773 N ALA B 33 -8.820 5.114 -15.664 1.00 44.31 N ATOM 1774 CA ALA B 33 -7.853 4.772 -16.739 1.00 71.21 C ATOM 1775 C ALA B 33 -7.237 3.355 -16.573 1.00 4.53 C ATOM 1776 O ALA B 33 -6.863 2.710 -17.560 1.00 40.51 O ATOM 1777 CB ALA B 33 -6.750 5.841 -16.801 1.00 23.02 C ATOM 0 H ALA B 33 -8.481 5.833 -15.025 1.00 44.31 H new ATOM 0 HA ALA B 33 -8.404 4.756 -17.679 1.00 71.21 H new ATOM 0 HB1 ALA B 33 -6.042 5.588 -17.590 1.00 23.02 H new ATOM 0 HB2 ALA B 33 -7.197 6.813 -17.012 1.00 23.02 H new ATOM 0 HB3 ALA B 33 -6.228 5.881 -15.845 1.00 23.02 H new ATOM 1783 N THR B 34 -7.123 2.886 -15.317 1.00 25.43 N ATOM 1784 CA THR B 34 -6.568 1.542 -14.984 1.00 12.44 C ATOM 1785 C THR B 34 -7.618 0.416 -15.099 1.00 4.11 C ATOM 1786 O THR B 34 -7.241 -0.762 -15.161 1.00 52.20 O ATOM 1787 CB THR B 34 -5.982 1.512 -13.534 1.00 4.23 C ATOM 1788 OG1 THR B 34 -7.007 1.841 -12.581 1.00 21.12 O ATOM 1789 CG2 THR B 34 -4.810 2.486 -13.373 1.00 0.23 C ATOM 0 H THR B 34 -7.410 3.421 -14.497 1.00 25.43 H new ATOM 0 HA THR B 34 -5.780 1.365 -15.716 1.00 12.44 H new ATOM 0 HB THR B 34 -5.613 0.502 -13.352 1.00 4.23 H new ATOM 0 HG1 THR B 34 -7.832 2.074 -13.055 1.00 21.12 H new ATOM 0 HG21 THR B 34 -4.432 2.435 -12.352 1.00 0.23 H new ATOM 0 HG22 THR B 34 -4.015 2.217 -14.068 1.00 0.23 H new ATOM 0 HG23 THR B 34 -5.148 3.500 -13.584 1.00 0.23 H new ATOM 1797 N LYS B 35 -8.921 0.801 -15.103 1.00 35.44 N ATOM 1798 CA LYS B 35 -10.085 -0.134 -15.082 1.00 70.24 C ATOM 1799 C LYS B 35 -10.206 -0.765 -13.656 1.00 31.34 C ATOM 1800 O LYS B 35 -10.461 -1.960 -13.479 1.00 41.13 O ATOM 1801 CB LYS B 35 -9.991 -1.205 -16.238 1.00 41.15 C ATOM 1802 CG LYS B 35 -11.327 -1.692 -16.875 1.00 41.21 C ATOM 1803 CD LYS B 35 -12.235 -2.514 -15.921 1.00 54.54 C ATOM 1804 CE LYS B 35 -13.425 -3.170 -16.641 1.00 12.34 C ATOM 1805 NZ LYS B 35 -12.982 -4.196 -17.627 1.00 74.22 N ATOM 0 H LYS B 35 -9.200 1.782 -15.121 1.00 35.44 H new ATOM 0 HA LYS B 35 -11.005 0.416 -15.282 1.00 70.24 H new ATOM 0 HB2 LYS B 35 -9.371 -0.790 -17.032 1.00 41.15 H new ATOM 0 HB3 LYS B 35 -9.467 -2.077 -15.847 1.00 41.15 H new ATOM 0 HG2 LYS B 35 -11.884 -0.824 -17.227 1.00 41.21 H new ATOM 0 HG3 LYS B 35 -11.097 -2.300 -17.750 1.00 41.21 H new ATOM 0 HD2 LYS B 35 -11.639 -3.288 -15.438 1.00 54.54 H new ATOM 0 HD3 LYS B 35 -12.609 -1.861 -15.133 1.00 54.54 H new ATOM 0 HE2 LYS B 35 -14.083 -3.633 -15.906 1.00 12.34 H new ATOM 0 HE3 LYS B 35 -14.007 -2.403 -17.152 1.00 12.34 H new ATOM 0 HZ1 LYS B 35 -13.796 -4.775 -17.915 1.00 74.22 H new ATOM 0 HZ2 LYS B 35 -12.580 -3.724 -18.462 1.00 74.22 H new ATOM 0 HZ3 LYS B 35 -12.260 -4.806 -17.193 1.00 74.22 H new ATOM 1819 N LEU B 36 -9.960 0.077 -12.633 1.00 54.21 N ATOM 1820 CA LEU B 36 -10.266 -0.217 -11.209 1.00 54.32 C ATOM 1821 C LEU B 36 -11.540 0.543 -10.751 1.00 43.33 C ATOM 1822 O LEU B 36 -12.189 1.234 -11.544 1.00 71.21 O ATOM 1823 CB LEU B 36 -9.057 0.175 -10.302 1.00 62.23 C ATOM 1824 CG LEU B 36 -7.757 -0.663 -10.493 1.00 43.34 C ATOM 1825 CD1 LEU B 36 -6.608 -0.123 -9.613 1.00 62.10 C ATOM 1826 CD2 LEU B 36 -8.022 -2.166 -10.230 1.00 35.25 C ATOM 0 H LEU B 36 -9.537 0.995 -12.769 1.00 54.21 H new ATOM 0 HA LEU B 36 -10.448 -1.288 -11.115 1.00 54.32 H new ATOM 0 HB2 LEU B 36 -8.819 1.223 -10.482 1.00 62.23 H new ATOM 0 HB3 LEU B 36 -9.368 0.093 -9.261 1.00 62.23 H new ATOM 0 HG LEU B 36 -7.442 -0.563 -11.532 1.00 43.34 H new ATOM 0 HD11 LEU B 36 -5.715 -0.728 -9.769 1.00 62.10 H new ATOM 0 HD12 LEU B 36 -6.397 0.911 -9.885 1.00 62.10 H new ATOM 0 HD13 LEU B 36 -6.900 -0.170 -8.564 1.00 62.10 H new ATOM 0 HD21 LEU B 36 -7.099 -2.728 -10.370 1.00 35.25 H new ATOM 0 HD22 LEU B 36 -8.377 -2.300 -9.208 1.00 35.25 H new ATOM 0 HD23 LEU B 36 -8.777 -2.530 -10.927 1.00 35.25 H new ATOM 1838 N LYS B 37 -11.895 0.388 -9.460 1.00 73.22 N ATOM 1839 CA LYS B 37 -13.033 1.107 -8.825 1.00 5.25 C ATOM 1840 C LYS B 37 -12.767 1.365 -7.323 1.00 23.14 C ATOM 1841 O LYS B 37 -13.262 2.341 -6.746 1.00 60.54 O ATOM 1842 CB LYS B 37 -14.343 0.304 -9.026 1.00 1.55 C ATOM 1843 CG LYS B 37 -14.343 -1.118 -8.412 1.00 65.24 C ATOM 1844 CD LYS B 37 -15.648 -1.891 -8.695 1.00 1.21 C ATOM 1845 CE LYS B 37 -15.849 -2.183 -10.196 1.00 11.14 C ATOM 1846 NZ LYS B 37 -17.029 -3.050 -10.442 1.00 11.43 N ATOM 0 H LYS B 37 -11.404 -0.239 -8.822 1.00 73.22 H new ATOM 0 HA LYS B 37 -13.139 2.079 -9.308 1.00 5.25 H new ATOM 0 HB2 LYS B 37 -15.168 0.870 -8.593 1.00 1.55 H new ATOM 0 HB3 LYS B 37 -14.540 0.221 -10.095 1.00 1.55 H new ATOM 0 HG2 LYS B 37 -13.499 -1.681 -8.810 1.00 65.24 H new ATOM 0 HG3 LYS B 37 -14.196 -1.044 -7.334 1.00 65.24 H new ATOM 0 HD2 LYS B 37 -15.636 -2.831 -8.144 1.00 1.21 H new ATOM 0 HD3 LYS B 37 -16.495 -1.315 -8.324 1.00 1.21 H new ATOM 0 HE2 LYS B 37 -15.971 -1.243 -10.735 1.00 11.14 H new ATOM 0 HE3 LYS B 37 -14.956 -2.665 -10.594 1.00 11.14 H new ATOM 0 HZ1 LYS B 37 -17.127 -3.221 -11.463 1.00 11.43 H new ATOM 0 HZ2 LYS B 37 -16.902 -3.957 -9.950 1.00 11.43 H new ATOM 0 HZ3 LYS B 37 -17.886 -2.580 -10.086 1.00 11.43 H new ATOM 1860 N ALA B 38 -11.959 0.480 -6.706 1.00 62.02 N ATOM 1861 CA ALA B 38 -11.581 0.570 -5.279 1.00 74.14 C ATOM 1862 C ALA B 38 -10.181 1.200 -5.111 1.00 0.34 C ATOM 1863 O ALA B 38 -9.219 0.791 -5.776 1.00 71.44 O ATOM 1864 CB ALA B 38 -11.620 -0.825 -4.614 1.00 41.43 C ATOM 0 H ALA B 38 -11.548 -0.321 -7.185 1.00 62.02 H new ATOM 0 HA ALA B 38 -12.307 1.215 -4.784 1.00 74.14 H new ATOM 0 HB1 ALA B 38 -11.339 -0.736 -3.565 1.00 41.43 H new ATOM 0 HB2 ALA B 38 -12.628 -1.234 -4.686 1.00 41.43 H new ATOM 0 HB3 ALA B 38 -10.921 -1.490 -5.122 1.00 41.43 H new ATOM 1870 N ASP B 39 -10.087 2.198 -4.213 1.00 31.24 N ATOM 1871 CA ASP B 39 -8.808 2.845 -3.829 1.00 54.41 C ATOM 1872 C ASP B 39 -7.824 1.834 -3.195 1.00 53.13 C ATOM 1873 O ASP B 39 -6.622 2.062 -3.189 1.00 23.13 O ATOM 1874 CB ASP B 39 -9.076 4.019 -2.871 1.00 25.34 C ATOM 1875 CG ASP B 39 -10.003 5.062 -3.499 1.00 4.43 C ATOM 1876 OD1 ASP B 39 -9.514 5.959 -4.221 1.00 2.21 O ATOM 1877 OD2 ASP B 39 -11.236 4.949 -3.328 1.00 45.31 O ATOM 0 H ASP B 39 -10.897 2.584 -3.728 1.00 31.24 H new ATOM 0 HA ASP B 39 -8.339 3.228 -4.736 1.00 54.41 H new ATOM 0 HB2 ASP B 39 -9.522 3.643 -1.950 1.00 25.34 H new ATOM 0 HB3 ASP B 39 -8.131 4.489 -2.598 1.00 25.34 H new ATOM 1882 N LYS B 40 -8.374 0.734 -2.655 1.00 3.11 N ATOM 1883 CA LYS B 40 -7.611 -0.416 -2.106 1.00 70.33 C ATOM 1884 C LYS B 40 -6.536 -0.953 -3.083 1.00 21.31 C ATOM 1885 O LYS B 40 -5.351 -1.040 -2.737 1.00 52.44 O ATOM 1886 CB LYS B 40 -8.629 -1.549 -1.783 1.00 13.31 C ATOM 1887 CG LYS B 40 -9.463 -1.314 -0.509 1.00 73.25 C ATOM 1888 CD LYS B 40 -8.616 -1.463 0.771 1.00 30.21 C ATOM 1889 CE LYS B 40 -7.873 -2.816 0.846 1.00 10.32 C ATOM 1890 NZ LYS B 40 -8.795 -3.978 0.773 1.00 61.24 N ATOM 0 H LYS B 40 -9.384 0.610 -2.583 1.00 3.11 H new ATOM 0 HA LYS B 40 -7.080 -0.079 -1.216 1.00 70.33 H new ATOM 0 HB2 LYS B 40 -9.306 -1.664 -2.629 1.00 13.31 H new ATOM 0 HB3 LYS B 40 -8.087 -2.489 -1.679 1.00 13.31 H new ATOM 0 HG2 LYS B 40 -9.900 -0.316 -0.541 1.00 73.25 H new ATOM 0 HG3 LYS B 40 -10.290 -2.023 -0.481 1.00 73.25 H new ATOM 0 HD2 LYS B 40 -7.889 -0.652 0.816 1.00 30.21 H new ATOM 0 HD3 LYS B 40 -9.263 -1.360 1.643 1.00 30.21 H new ATOM 0 HE2 LYS B 40 -7.153 -2.877 0.030 1.00 10.32 H new ATOM 0 HE3 LYS B 40 -7.306 -2.864 1.776 1.00 10.32 H new ATOM 0 HZ1 LYS B 40 -8.252 -4.859 0.879 1.00 61.24 H new ATOM 0 HZ2 LYS B 40 -9.499 -3.911 1.536 1.00 61.24 H new ATOM 0 HZ3 LYS B 40 -9.281 -3.979 -0.147 1.00 61.24 H new ATOM 1904 N ASP B 41 -6.972 -1.289 -4.302 1.00 44.32 N ATOM 1905 CA ASP B 41 -6.092 -1.809 -5.369 1.00 34.12 C ATOM 1906 C ASP B 41 -5.123 -0.711 -5.863 1.00 0.33 C ATOM 1907 O ASP B 41 -3.971 -0.989 -6.228 1.00 11.51 O ATOM 1908 CB ASP B 41 -6.960 -2.336 -6.530 1.00 73.43 C ATOM 1909 CG ASP B 41 -7.950 -3.408 -6.060 1.00 11.33 C ATOM 1910 OD1 ASP B 41 -9.071 -3.052 -5.633 1.00 72.52 O ATOM 1911 OD2 ASP B 41 -7.602 -4.607 -6.083 1.00 52.32 O ATOM 0 H ASP B 41 -7.949 -1.210 -4.583 1.00 44.32 H new ATOM 0 HA ASP B 41 -5.490 -2.626 -4.972 1.00 34.12 H new ATOM 0 HB2 ASP B 41 -7.508 -1.508 -6.979 1.00 73.43 H new ATOM 0 HB3 ASP B 41 -6.316 -2.751 -7.306 1.00 73.43 H new ATOM 1916 N PHE B 42 -5.609 0.538 -5.841 1.00 41.44 N ATOM 1917 CA PHE B 42 -4.803 1.722 -6.172 1.00 71.21 C ATOM 1918 C PHE B 42 -3.607 1.912 -5.186 1.00 31.24 C ATOM 1919 O PHE B 42 -2.509 2.244 -5.619 1.00 71.22 O ATOM 1920 CB PHE B 42 -5.706 2.984 -6.196 1.00 0.32 C ATOM 1921 CG PHE B 42 -4.932 4.288 -6.348 1.00 64.01 C ATOM 1922 CD1 PHE B 42 -4.373 4.636 -7.572 1.00 63.33 C ATOM 1923 CD2 PHE B 42 -4.727 5.143 -5.260 1.00 44.14 C ATOM 1924 CE1 PHE B 42 -3.639 5.792 -7.706 1.00 65.12 C ATOM 1925 CE2 PHE B 42 -3.985 6.297 -5.400 1.00 2.03 C ATOM 1926 CZ PHE B 42 -3.448 6.624 -6.628 1.00 63.42 C ATOM 0 H PHE B 42 -6.574 0.756 -5.593 1.00 41.44 H new ATOM 0 HA PHE B 42 -4.374 1.570 -7.162 1.00 71.21 H new ATOM 0 HB2 PHE B 42 -6.417 2.896 -7.018 1.00 0.32 H new ATOM 0 HB3 PHE B 42 -6.287 3.022 -5.275 1.00 0.32 H new ATOM 0 HD1 PHE B 42 -4.516 3.992 -8.427 1.00 63.33 H new ATOM 0 HD2 PHE B 42 -5.155 4.897 -4.299 1.00 44.14 H new ATOM 0 HE1 PHE B 42 -3.210 6.048 -8.664 1.00 65.12 H new ATOM 0 HE2 PHE B 42 -3.825 6.944 -4.550 1.00 2.03 H new ATOM 0 HZ PHE B 42 -2.877 7.534 -6.743 1.00 63.42 H new ATOM 1936 N PHE B 43 -3.834 1.703 -3.869 1.00 53.24 N ATOM 1937 CA PHE B 43 -2.782 1.903 -2.826 1.00 41.42 C ATOM 1938 C PHE B 43 -1.618 0.898 -2.984 1.00 74.03 C ATOM 1939 O PHE B 43 -0.449 1.263 -2.827 1.00 40.33 O ATOM 1940 CB PHE B 43 -3.385 1.794 -1.391 1.00 53.14 C ATOM 1941 CG PHE B 43 -4.465 2.827 -1.060 1.00 21.34 C ATOM 1942 CD1 PHE B 43 -4.401 4.128 -1.569 1.00 41.40 C ATOM 1943 CD2 PHE B 43 -5.545 2.498 -0.235 1.00 72.12 C ATOM 1944 CE1 PHE B 43 -5.375 5.058 -1.273 1.00 41.14 C ATOM 1945 CE2 PHE B 43 -6.522 3.432 0.065 1.00 55.43 C ATOM 1946 CZ PHE B 43 -6.437 4.712 -0.456 1.00 32.32 C ATOM 0 H PHE B 43 -4.732 1.396 -3.496 1.00 53.24 H new ATOM 0 HA PHE B 43 -2.385 2.908 -2.967 1.00 41.42 H new ATOM 0 HB2 PHE B 43 -3.807 0.797 -1.266 1.00 53.14 H new ATOM 0 HB3 PHE B 43 -2.577 1.891 -0.666 1.00 53.14 H new ATOM 0 HD1 PHE B 43 -3.574 4.409 -2.205 1.00 41.40 H new ATOM 0 HD2 PHE B 43 -5.618 1.501 0.174 1.00 72.12 H new ATOM 0 HE1 PHE B 43 -5.309 6.057 -1.679 1.00 41.14 H new ATOM 0 HE2 PHE B 43 -7.349 3.162 0.705 1.00 55.43 H new ATOM 0 HZ PHE B 43 -7.200 5.441 -0.225 1.00 32.32 H new ATOM 1956 N LEU B 44 -1.955 -0.365 -3.302 1.00 42.00 N ATOM 1957 CA LEU B 44 -0.953 -1.434 -3.533 1.00 12.35 C ATOM 1958 C LEU B 44 -0.232 -1.261 -4.902 1.00 21.41 C ATOM 1959 O LEU B 44 0.924 -1.663 -5.049 1.00 71.01 O ATOM 1960 CB LEU B 44 -1.618 -2.844 -3.408 1.00 64.21 C ATOM 1961 CG LEU B 44 -1.865 -3.367 -1.944 1.00 1.25 C ATOM 1962 CD1 LEU B 44 -2.918 -2.532 -1.180 1.00 51.42 C ATOM 1963 CD2 LEU B 44 -2.228 -4.871 -1.933 1.00 40.22 C ATOM 0 H LEU B 44 -2.921 -0.677 -3.407 1.00 42.00 H new ATOM 0 HA LEU B 44 -0.188 -1.350 -2.761 1.00 12.35 H new ATOM 0 HB2 LEU B 44 -2.575 -2.819 -3.929 1.00 64.21 H new ATOM 0 HB3 LEU B 44 -0.990 -3.567 -3.929 1.00 64.21 H new ATOM 0 HG LEU B 44 -0.922 -3.243 -1.411 1.00 1.25 H new ATOM 0 HD11 LEU B 44 -3.047 -2.939 -0.177 1.00 51.42 H new ATOM 0 HD12 LEU B 44 -2.582 -1.497 -1.112 1.00 51.42 H new ATOM 0 HD13 LEU B 44 -3.869 -2.570 -1.712 1.00 51.42 H new ATOM 0 HD21 LEU B 44 -2.392 -5.198 -0.906 1.00 40.22 H new ATOM 0 HD22 LEU B 44 -3.136 -5.030 -2.514 1.00 40.22 H new ATOM 0 HD23 LEU B 44 -1.412 -5.445 -2.371 1.00 40.22 H new ATOM 1975 N GLY B 45 -0.927 -0.651 -5.890 1.00 14.43 N ATOM 1976 CA GLY B 45 -0.309 -0.299 -7.185 1.00 44.22 C ATOM 1977 C GLY B 45 0.661 0.888 -7.078 1.00 54.04 C ATOM 1978 O GLY B 45 1.860 0.741 -7.293 1.00 3.31 O ATOM 0 H GLY B 45 -1.911 -0.394 -5.814 1.00 14.43 H new ATOM 0 HA2 GLY B 45 0.225 -1.165 -7.575 1.00 44.22 H new ATOM 0 HA3 GLY B 45 -1.093 -0.058 -7.903 1.00 44.22 H new ATOM 1982 N LEU B 46 0.113 2.061 -6.709 1.00 30.45 N ATOM 1983 CA LEU B 46 0.871 3.324 -6.485 1.00 71.20 C ATOM 1984 C LEU B 46 2.056 3.155 -5.491 1.00 44.01 C ATOM 1985 O LEU B 46 3.160 3.661 -5.730 1.00 4.33 O ATOM 1986 CB LEU B 46 -0.093 4.411 -5.932 1.00 13.32 C ATOM 1987 CG LEU B 46 0.552 5.797 -5.612 1.00 4.22 C ATOM 1988 CD1 LEU B 46 0.999 6.512 -6.903 1.00 41.20 C ATOM 1989 CD2 LEU B 46 -0.386 6.677 -4.751 1.00 14.23 C ATOM 0 H LEU B 46 -0.889 2.168 -6.553 1.00 30.45 H new ATOM 0 HA LEU B 46 1.290 3.617 -7.448 1.00 71.20 H new ATOM 0 HB2 LEU B 46 -0.892 4.563 -6.657 1.00 13.32 H new ATOM 0 HB3 LEU B 46 -0.556 4.029 -5.022 1.00 13.32 H new ATOM 0 HG LEU B 46 1.447 5.619 -5.016 1.00 4.22 H new ATOM 0 HD11 LEU B 46 1.444 7.474 -6.650 1.00 41.20 H new ATOM 0 HD12 LEU B 46 1.734 5.898 -7.424 1.00 41.20 H new ATOM 0 HD13 LEU B 46 0.135 6.670 -7.549 1.00 41.20 H new ATOM 0 HD21 LEU B 46 0.097 7.633 -4.549 1.00 14.23 H new ATOM 0 HD22 LEU B 46 -1.319 6.848 -5.288 1.00 14.23 H new ATOM 0 HD23 LEU B 46 -0.597 6.171 -3.809 1.00 14.23 H new ATOM 2001 N GLY B 47 1.797 2.436 -4.388 1.00 24.42 N ATOM 2002 CA GLY B 47 2.784 2.240 -3.308 1.00 61.34 C ATOM 2003 C GLY B 47 4.010 1.439 -3.753 1.00 14.54 C ATOM 2004 O GLY B 47 5.126 1.636 -3.248 1.00 64.33 O ATOM 0 H GLY B 47 0.903 1.975 -4.217 1.00 24.42 H new ATOM 0 HA2 GLY B 47 3.108 3.213 -2.939 1.00 61.34 H new ATOM 0 HA3 GLY B 47 2.305 1.726 -2.475 1.00 61.34 H new ATOM 2008 N TRP B 48 3.782 0.527 -4.711 1.00 24.21 N ATOM 2009 CA TRP B 48 4.844 -0.272 -5.343 1.00 50.01 C ATOM 2010 C TRP B 48 5.759 0.619 -6.238 1.00 14.40 C ATOM 2011 O TRP B 48 6.962 0.388 -6.355 1.00 65.54 O ATOM 2012 CB TRP B 48 4.205 -1.412 -6.187 1.00 41.42 C ATOM 2013 CG TRP B 48 5.175 -2.511 -6.515 1.00 33.11 C ATOM 2014 CD1 TRP B 48 5.971 -2.618 -7.613 1.00 70.04 C ATOM 2015 CD2 TRP B 48 5.469 -3.640 -5.689 1.00 24.10 C ATOM 2016 NE1 TRP B 48 6.734 -3.747 -7.526 1.00 10.33 N ATOM 2017 CE2 TRP B 48 6.437 -4.395 -6.360 1.00 73.33 C ATOM 2018 CE3 TRP B 48 4.983 -4.094 -4.455 1.00 34.35 C ATOM 2019 CZ2 TRP B 48 6.963 -5.558 -5.827 1.00 21.41 C ATOM 2020 CZ3 TRP B 48 5.501 -5.259 -3.928 1.00 71.25 C ATOM 2021 CH2 TRP B 48 6.475 -5.984 -4.620 1.00 13.42 C ATOM 0 H TRP B 48 2.850 0.322 -5.071 1.00 24.21 H new ATOM 0 HA TRP B 48 5.466 -0.707 -4.560 1.00 50.01 H new ATOM 0 HB2 TRP B 48 3.360 -1.831 -5.641 1.00 41.42 H new ATOM 0 HB3 TRP B 48 3.811 -0.994 -7.113 1.00 41.42 H new ATOM 0 HD1 TRP B 48 5.996 -1.914 -8.432 1.00 70.04 H new ATOM 0 HE1 TRP B 48 7.415 -4.057 -8.219 1.00 10.33 H new ATOM 0 HE3 TRP B 48 4.219 -3.543 -3.928 1.00 34.35 H new ATOM 0 HZ2 TRP B 48 7.732 -6.111 -6.345 1.00 21.41 H new ATOM 0 HZ3 TRP B 48 5.150 -5.615 -2.970 1.00 71.25 H new ATOM 0 HH2 TRP B 48 6.852 -6.902 -4.193 1.00 13.42 H new ATOM 2032 N LEU B 49 5.162 1.643 -6.860 1.00 64.41 N ATOM 2033 CA LEU B 49 5.885 2.625 -7.718 1.00 70.20 C ATOM 2034 C LEU B 49 6.834 3.517 -6.884 1.00 1.54 C ATOM 2035 O LEU B 49 7.857 3.986 -7.391 1.00 32.31 O ATOM 2036 CB LEU B 49 4.869 3.485 -8.534 1.00 24.54 C ATOM 2037 CG LEU B 49 4.254 2.837 -9.821 1.00 63.01 C ATOM 2038 CD1 LEU B 49 3.896 1.372 -9.606 1.00 25.15 C ATOM 2039 CD2 LEU B 49 3.016 3.620 -10.307 1.00 73.24 C ATOM 0 H LEU B 49 4.161 1.825 -6.790 1.00 64.41 H new ATOM 0 HA LEU B 49 6.505 2.068 -8.421 1.00 70.20 H new ATOM 0 HB2 LEU B 49 4.050 3.760 -7.870 1.00 24.54 H new ATOM 0 HB3 LEU B 49 5.367 4.409 -8.826 1.00 24.54 H new ATOM 0 HG LEU B 49 5.022 2.886 -10.593 1.00 63.01 H new ATOM 0 HD11 LEU B 49 3.473 0.962 -10.523 1.00 25.15 H new ATOM 0 HD12 LEU B 49 4.793 0.814 -9.339 1.00 25.15 H new ATOM 0 HD13 LEU B 49 3.165 1.290 -8.801 1.00 25.15 H new ATOM 0 HD21 LEU B 49 2.613 3.145 -11.201 1.00 73.24 H new ATOM 0 HD22 LEU B 49 2.257 3.623 -9.524 1.00 73.24 H new ATOM 0 HD23 LEU B 49 3.302 4.646 -10.539 1.00 73.24 H new ATOM 2051 N LEU B 50 6.474 3.743 -5.605 1.00 44.54 N ATOM 2052 CA LEU B 50 7.311 4.485 -4.634 1.00 41.42 C ATOM 2053 C LEU B 50 8.639 3.739 -4.320 1.00 11.44 C ATOM 2054 O LEU B 50 9.670 4.385 -4.115 1.00 54.02 O ATOM 2055 CB LEU B 50 6.516 4.753 -3.323 1.00 23.44 C ATOM 2056 CG LEU B 50 5.307 5.733 -3.452 1.00 34.41 C ATOM 2057 CD1 LEU B 50 4.500 5.821 -2.137 1.00 24.11 C ATOM 2058 CD2 LEU B 50 5.785 7.128 -3.917 1.00 21.14 C ATOM 0 H LEU B 50 5.591 3.416 -5.212 1.00 44.54 H new ATOM 0 HA LEU B 50 7.573 5.439 -5.092 1.00 41.42 H new ATOM 0 HB2 LEU B 50 6.149 3.800 -2.942 1.00 23.44 H new ATOM 0 HB3 LEU B 50 7.204 5.151 -2.577 1.00 23.44 H new ATOM 0 HG LEU B 50 4.634 5.335 -4.211 1.00 34.41 H new ATOM 0 HD11 LEU B 50 3.667 6.512 -2.267 1.00 24.11 H new ATOM 0 HD12 LEU B 50 4.115 4.834 -1.879 1.00 24.11 H new ATOM 0 HD13 LEU B 50 5.147 6.179 -1.336 1.00 24.11 H new ATOM 0 HD21 LEU B 50 4.928 7.797 -4.001 1.00 21.14 H new ATOM 0 HD22 LEU B 50 6.491 7.532 -3.191 1.00 21.14 H new ATOM 0 HD23 LEU B 50 6.273 7.040 -4.887 1.00 21.14 H new ATOM 2070 N ARG B 51 8.607 2.378 -4.290 1.00 40.42 N ATOM 2071 CA ARG B 51 9.826 1.556 -4.019 1.00 2.24 C ATOM 2072 C ARG B 51 10.872 1.700 -5.149 1.00 51.33 C ATOM 2073 O ARG B 51 12.085 1.662 -4.908 1.00 34.33 O ATOM 2074 CB ARG B 51 9.484 0.047 -3.779 1.00 14.43 C ATOM 2075 CG ARG B 51 9.458 -0.896 -5.019 1.00 23.52 C ATOM 2076 CD ARG B 51 9.324 -2.378 -4.646 1.00 10.32 C ATOM 2077 NE ARG B 51 9.489 -3.259 -5.820 1.00 3.51 N ATOM 2078 CZ ARG B 51 10.251 -4.337 -5.863 1.00 20.22 C ATOM 2079 NH1 ARG B 51 10.956 -4.714 -4.836 1.00 31.34 N ATOM 2080 NH2 ARG B 51 10.301 -5.035 -6.949 1.00 64.21 N ATOM 0 H ARG B 51 7.762 1.830 -4.448 1.00 40.42 H new ATOM 0 HA ARG B 51 10.260 1.945 -3.098 1.00 2.24 H new ATOM 0 HB2 ARG B 51 10.209 -0.352 -3.069 1.00 14.43 H new ATOM 0 HB3 ARG B 51 8.507 -0.003 -3.299 1.00 14.43 H new ATOM 0 HG2 ARG B 51 8.627 -0.614 -5.665 1.00 23.52 H new ATOM 0 HG3 ARG B 51 10.372 -0.754 -5.595 1.00 23.52 H new ATOM 0 HD2 ARG B 51 10.071 -2.632 -3.894 1.00 10.32 H new ATOM 0 HD3 ARG B 51 8.347 -2.552 -4.196 1.00 10.32 H new ATOM 0 HE ARG B 51 8.973 -3.015 -6.665 1.00 3.51 H new ATOM 0 HH11 ARG B 51 10.928 -4.173 -3.972 1.00 31.34 H new ATOM 0 HH12 ARG B 51 11.536 -5.551 -4.895 1.00 31.34 H new ATOM 0 HH21 ARG B 51 9.755 -4.752 -7.763 1.00 64.21 H new ATOM 0 HH22 ARG B 51 10.886 -5.869 -6.993 1.00 64.21 H new ATOM 2094 N GLU B 52 10.373 1.850 -6.383 1.00 74.55 N ATOM 2095 CA GLU B 52 11.205 2.042 -7.585 1.00 72.31 C ATOM 2096 C GLU B 52 11.419 3.543 -7.899 1.00 41.53 C ATOM 2097 O GLU B 52 12.196 3.875 -8.798 1.00 42.21 O ATOM 2098 CB GLU B 52 10.534 1.317 -8.785 1.00 73.22 C ATOM 2099 CG GLU B 52 10.384 -0.213 -8.611 1.00 0.33 C ATOM 2100 CD GLU B 52 9.550 -0.874 -9.723 1.00 40.05 C ATOM 2101 OE1 GLU B 52 10.056 -1.016 -10.856 1.00 32.03 O ATOM 2102 OE2 GLU B 52 8.372 -1.221 -9.481 1.00 30.21 O ATOM 0 H GLU B 52 9.372 1.842 -6.580 1.00 74.55 H new ATOM 0 HA GLU B 52 12.190 1.614 -7.402 1.00 72.31 H new ATOM 0 HB2 GLU B 52 9.547 1.749 -8.948 1.00 73.22 H new ATOM 0 HB3 GLU B 52 11.119 1.512 -9.684 1.00 73.22 H new ATOM 0 HG2 GLU B 52 11.374 -0.668 -8.590 1.00 0.33 H new ATOM 0 HG3 GLU B 52 9.919 -0.418 -7.647 1.00 0.33 H new ATOM 2109 N ASP B 53 10.698 4.433 -7.168 1.00 75.53 N ATOM 2110 CA ASP B 53 10.776 5.911 -7.324 1.00 2.40 C ATOM 2111 C ASP B 53 10.333 6.379 -8.734 1.00 53.45 C ATOM 2112 O ASP B 53 10.792 7.405 -9.245 1.00 31.12 O ATOM 2113 CB ASP B 53 12.197 6.429 -6.951 1.00 43.30 C ATOM 2114 CG ASP B 53 12.461 6.367 -5.437 1.00 72.52 C ATOM 2115 OD1 ASP B 53 12.781 5.274 -4.908 1.00 65.12 O ATOM 2116 OD2 ASP B 53 12.314 7.408 -4.762 1.00 51.02 O ATOM 0 H ASP B 53 10.039 4.142 -6.446 1.00 75.53 H new ATOM 0 HA ASP B 53 10.066 6.354 -6.625 1.00 2.40 H new ATOM 0 HB2 ASP B 53 12.947 5.835 -7.473 1.00 43.30 H new ATOM 0 HB3 ASP B 53 12.309 7.457 -7.295 1.00 43.30 H new ATOM 2121 N LYS B 54 9.393 5.628 -9.327 1.00 31.00 N ATOM 2122 CA LYS B 54 8.820 5.933 -10.652 1.00 43.30 C ATOM 2123 C LYS B 54 7.738 7.032 -10.556 1.00 13.33 C ATOM 2124 O LYS B 54 7.379 7.633 -11.566 1.00 14.23 O ATOM 2125 CB LYS B 54 8.223 4.643 -11.275 1.00 30.00 C ATOM 2126 CG LYS B 54 9.257 3.511 -11.487 1.00 12.52 C ATOM 2127 CD LYS B 54 8.657 2.228 -12.113 1.00 63.13 C ATOM 2128 CE LYS B 54 7.514 1.623 -11.277 1.00 50.33 C ATOM 2129 NZ LYS B 54 7.131 0.262 -11.741 1.00 22.13 N ATOM 0 H LYS B 54 9.005 4.787 -8.901 1.00 31.00 H new ATOM 0 HA LYS B 54 9.618 6.308 -11.293 1.00 43.30 H new ATOM 0 HB2 LYS B 54 7.425 4.276 -10.630 1.00 30.00 H new ATOM 0 HB3 LYS B 54 7.769 4.891 -12.234 1.00 30.00 H new ATOM 0 HG2 LYS B 54 10.057 3.878 -12.130 1.00 12.52 H new ATOM 0 HG3 LYS B 54 9.709 3.259 -10.527 1.00 12.52 H new ATOM 0 HD2 LYS B 54 8.286 2.458 -13.112 1.00 63.13 H new ATOM 0 HD3 LYS B 54 9.446 1.485 -12.230 1.00 63.13 H new ATOM 0 HE2 LYS B 54 7.818 1.575 -10.231 1.00 50.33 H new ATOM 0 HE3 LYS B 54 6.645 2.279 -11.326 1.00 50.33 H new ATOM 0 HZ1 LYS B 54 6.109 0.235 -11.933 1.00 22.13 H new ATOM 0 HZ2 LYS B 54 7.652 0.032 -12.611 1.00 22.13 H new ATOM 0 HZ3 LYS B 54 7.363 -0.434 -11.004 1.00 22.13 H new ATOM 2143 N VAL B 55 7.227 7.289 -9.328 1.00 43.24 N ATOM 2144 CA VAL B 55 6.199 8.326 -9.063 1.00 23.23 C ATOM 2145 C VAL B 55 6.556 9.163 -7.820 1.00 61.44 C ATOM 2146 O VAL B 55 7.407 8.776 -7.004 1.00 74.21 O ATOM 2147 CB VAL B 55 4.751 7.735 -8.853 1.00 50.32 C ATOM 2148 CG1 VAL B 55 4.268 6.968 -10.100 1.00 53.24 C ATOM 2149 CG2 VAL B 55 4.675 6.859 -7.576 1.00 72.41 C ATOM 0 H VAL B 55 7.516 6.782 -8.491 1.00 43.24 H new ATOM 0 HA VAL B 55 6.191 8.949 -9.958 1.00 23.23 H new ATOM 0 HB VAL B 55 4.072 8.576 -8.708 1.00 50.32 H new ATOM 0 HG11 VAL B 55 3.267 6.575 -9.920 1.00 53.24 H new ATOM 0 HG12 VAL B 55 4.244 7.643 -10.956 1.00 53.24 H new ATOM 0 HG13 VAL B 55 4.950 6.144 -10.307 1.00 53.24 H new ATOM 0 HG21 VAL B 55 3.664 6.468 -7.462 1.00 72.41 H new ATOM 0 HG22 VAL B 55 5.377 6.030 -7.661 1.00 72.41 H new ATOM 0 HG23 VAL B 55 4.931 7.462 -6.705 1.00 72.41 H new ATOM 2159 N VAL B 56 5.882 10.310 -7.699 1.00 12.03 N ATOM 2160 CA VAL B 56 5.965 11.190 -6.532 1.00 63.30 C ATOM 2161 C VAL B 56 4.544 11.609 -6.099 1.00 24.23 C ATOM 2162 O VAL B 56 3.701 11.977 -6.931 1.00 54.53 O ATOM 2163 CB VAL B 56 6.915 12.426 -6.788 1.00 44.25 C ATOM 2164 CG1 VAL B 56 6.526 13.200 -8.067 1.00 62.52 C ATOM 2165 CG2 VAL B 56 6.985 13.360 -5.550 1.00 32.35 C ATOM 0 H VAL B 56 5.253 10.658 -8.422 1.00 12.03 H new ATOM 0 HA VAL B 56 6.421 10.641 -5.709 1.00 63.30 H new ATOM 0 HB VAL B 56 7.917 12.029 -6.951 1.00 44.25 H new ATOM 0 HG11 VAL B 56 7.205 14.041 -8.204 1.00 62.52 H new ATOM 0 HG12 VAL B 56 6.593 12.536 -8.929 1.00 62.52 H new ATOM 0 HG13 VAL B 56 5.505 13.570 -7.972 1.00 62.52 H new ATOM 0 HG21 VAL B 56 7.648 14.199 -5.764 1.00 32.35 H new ATOM 0 HG22 VAL B 56 5.988 13.735 -5.320 1.00 32.35 H new ATOM 0 HG23 VAL B 56 7.369 12.803 -4.695 1.00 32.35 H new ATOM 2175 N THR B 57 4.293 11.526 -4.788 1.00 12.15 N ATOM 2176 CA THR B 57 2.951 11.660 -4.198 1.00 1.24 C ATOM 2177 C THR B 57 2.766 13.032 -3.524 1.00 31.21 C ATOM 2178 O THR B 57 3.699 13.564 -2.912 1.00 72.42 O ATOM 2179 CB THR B 57 2.697 10.534 -3.141 1.00 65.13 C ATOM 2180 OG1 THR B 57 3.716 10.571 -2.132 1.00 64.31 O ATOM 2181 CG2 THR B 57 2.670 9.130 -3.772 1.00 20.40 C ATOM 0 H THR B 57 5.024 11.362 -4.096 1.00 12.15 H new ATOM 0 HA THR B 57 2.232 11.568 -5.012 1.00 1.24 H new ATOM 0 HB THR B 57 1.717 10.725 -2.703 1.00 65.13 H new ATOM 0 HG1 THR B 57 4.149 11.450 -2.137 1.00 64.31 H new ATOM 0 HG21 THR B 57 2.491 8.386 -2.996 1.00 20.40 H new ATOM 0 HG22 THR B 57 1.873 9.080 -4.514 1.00 20.40 H new ATOM 0 HG23 THR B 57 3.627 8.929 -4.253 1.00 20.40 H new ATOM 2189 N SER B 58 1.548 13.580 -3.627 1.00 23.31 N ATOM 2190 CA SER B 58 1.184 14.882 -3.025 1.00 64.44 C ATOM 2191 C SER B 58 -0.289 14.878 -2.567 1.00 42.42 C ATOM 2192 O SER B 58 -1.068 13.990 -2.936 1.00 63.54 O ATOM 2193 CB SER B 58 1.431 16.021 -4.044 1.00 40.23 C ATOM 2194 OG SER B 58 1.166 17.309 -3.496 1.00 62.24 O ATOM 0 H SER B 58 0.780 13.136 -4.131 1.00 23.31 H new ATOM 0 HA SER B 58 1.811 15.049 -2.149 1.00 64.44 H new ATOM 0 HB2 SER B 58 2.465 15.981 -4.386 1.00 40.23 H new ATOM 0 HB3 SER B 58 0.800 15.865 -4.919 1.00 40.23 H new ATOM 0 HG SER B 58 1.337 17.995 -4.175 1.00 62.24 H new ATOM 2200 N GLU B 59 -0.654 15.885 -1.765 1.00 45.21 N ATOM 2201 CA GLU B 59 -2.014 16.041 -1.202 1.00 53.12 C ATOM 2202 C GLU B 59 -2.693 17.292 -1.806 1.00 23.05 C ATOM 2203 O GLU B 59 -2.357 18.425 -1.454 1.00 64.44 O ATOM 2204 CB GLU B 59 -1.920 16.146 0.345 1.00 53.42 C ATOM 2205 CG GLU B 59 -3.270 16.235 1.082 1.00 14.35 C ATOM 2206 CD GLU B 59 -3.096 16.392 2.605 1.00 41.32 C ATOM 2207 OE1 GLU B 59 -2.893 15.372 3.296 1.00 64.43 O ATOM 2208 OE2 GLU B 59 -3.130 17.539 3.113 1.00 21.24 O ATOM 0 H GLU B 59 -0.012 16.625 -1.482 1.00 45.21 H new ATOM 0 HA GLU B 59 -2.622 15.173 -1.455 1.00 53.12 H new ATOM 0 HB2 GLU B 59 -1.377 15.278 0.719 1.00 53.42 H new ATOM 0 HB3 GLU B 59 -1.328 17.026 0.598 1.00 53.42 H new ATOM 0 HG2 GLU B 59 -3.838 17.081 0.694 1.00 14.35 H new ATOM 0 HG3 GLU B 59 -3.854 15.338 0.876 1.00 14.35 H new ATOM 2215 N VAL B 60 -3.643 17.080 -2.733 1.00 41.32 N ATOM 2216 CA VAL B 60 -4.343 18.173 -3.456 1.00 64.03 C ATOM 2217 C VAL B 60 -5.870 18.102 -3.233 1.00 71.04 C ATOM 2218 O VAL B 60 -6.505 17.083 -3.532 1.00 14.25 O ATOM 2219 CB VAL B 60 -4.001 18.139 -4.999 1.00 75.04 C ATOM 2220 CG1 VAL B 60 -4.914 19.064 -5.847 1.00 13.44 C ATOM 2221 CG2 VAL B 60 -2.514 18.495 -5.224 1.00 42.01 C ATOM 0 H VAL B 60 -3.952 16.148 -3.007 1.00 41.32 H new ATOM 0 HA VAL B 60 -3.988 19.120 -3.049 1.00 64.03 H new ATOM 0 HB VAL B 60 -4.190 17.121 -5.340 1.00 75.04 H new ATOM 0 HG11 VAL B 60 -4.628 18.995 -6.896 1.00 13.44 H new ATOM 0 HG12 VAL B 60 -5.953 18.754 -5.733 1.00 13.44 H new ATOM 0 HG13 VAL B 60 -4.804 20.094 -5.508 1.00 13.44 H new ATOM 0 HG21 VAL B 60 -2.291 18.468 -6.291 1.00 42.01 H new ATOM 0 HG22 VAL B 60 -2.317 19.495 -4.837 1.00 42.01 H new ATOM 0 HG23 VAL B 60 -1.884 17.774 -4.703 1.00 42.01 H new ATOM 2231 N GLU B 61 -6.425 19.216 -2.699 1.00 1.32 N ATOM 2232 CA GLU B 61 -7.882 19.458 -2.539 1.00 0.14 C ATOM 2233 C GLU B 61 -8.635 18.306 -1.820 1.00 52.14 C ATOM 2234 O GLU B 61 -9.785 17.990 -2.146 1.00 53.24 O ATOM 2235 CB GLU B 61 -8.488 19.810 -3.929 1.00 10.13 C ATOM 2236 CG GLU B 61 -7.780 21.008 -4.608 1.00 0.14 C ATOM 2237 CD GLU B 61 -8.346 21.381 -5.984 1.00 71.42 C ATOM 2238 OE1 GLU B 61 -9.463 21.940 -6.049 1.00 12.05 O ATOM 2239 OE2 GLU B 61 -7.659 21.158 -7.004 1.00 3.03 O ATOM 0 H GLU B 61 -5.858 19.993 -2.358 1.00 1.32 H new ATOM 0 HA GLU B 61 -8.015 20.306 -1.867 1.00 0.14 H new ATOM 0 HB2 GLU B 61 -8.422 18.938 -4.580 1.00 10.13 H new ATOM 0 HB3 GLU B 61 -9.547 20.040 -3.811 1.00 10.13 H new ATOM 0 HG2 GLU B 61 -7.851 21.876 -3.952 1.00 0.14 H new ATOM 0 HG3 GLU B 61 -6.721 20.775 -4.715 1.00 0.14 H new ATOM 2246 N GLY B 62 -7.964 17.708 -0.823 1.00 4.35 N ATOM 2247 CA GLY B 62 -8.575 16.688 0.045 1.00 44.14 C ATOM 2248 C GLY B 62 -8.338 15.232 -0.384 1.00 33.15 C ATOM 2249 O GLY B 62 -8.768 14.311 0.324 1.00 12.12 O ATOM 0 H GLY B 62 -6.991 17.915 -0.597 1.00 4.35 H new ATOM 0 HA2 GLY B 62 -8.191 16.818 1.057 1.00 44.14 H new ATOM 0 HA3 GLY B 62 -9.649 16.867 0.087 1.00 44.14 H new ATOM 2253 N GLU B 63 -7.676 15.003 -1.536 1.00 33.44 N ATOM 2254 CA GLU B 63 -7.347 13.625 -1.998 1.00 54.31 C ATOM 2255 C GLU B 63 -5.919 13.527 -2.592 1.00 51.32 C ATOM 2256 O GLU B 63 -5.220 14.533 -2.743 1.00 70.53 O ATOM 2257 CB GLU B 63 -8.420 13.088 -2.987 1.00 63.51 C ATOM 2258 CG GLU B 63 -8.533 13.810 -4.342 1.00 63.42 C ATOM 2259 CD GLU B 63 -9.638 13.191 -5.229 1.00 0.23 C ATOM 2260 OE1 GLU B 63 -9.374 12.177 -5.920 1.00 21.03 O ATOM 2261 OE2 GLU B 63 -10.784 13.699 -5.222 1.00 5.44 O ATOM 0 H GLU B 63 -7.358 15.742 -2.163 1.00 33.44 H new ATOM 0 HA GLU B 63 -7.360 12.984 -1.117 1.00 54.31 H new ATOM 0 HB2 GLU B 63 -8.210 12.036 -3.178 1.00 63.51 H new ATOM 0 HB3 GLU B 63 -9.391 13.135 -2.494 1.00 63.51 H new ATOM 0 HG2 GLU B 63 -8.749 14.865 -4.175 1.00 63.42 H new ATOM 0 HG3 GLU B 63 -7.577 13.759 -4.863 1.00 63.42 H new ATOM 2268 N ILE B 64 -5.499 12.291 -2.925 1.00 1.35 N ATOM 2269 CA ILE B 64 -4.124 11.988 -3.377 1.00 24.12 C ATOM 2270 C ILE B 64 -3.927 12.355 -4.873 1.00 43.32 C ATOM 2271 O ILE B 64 -4.643 11.852 -5.736 1.00 5.42 O ATOM 2272 CB ILE B 64 -3.800 10.461 -3.149 1.00 64.33 C ATOM 2273 CG1 ILE B 64 -4.083 10.054 -1.665 1.00 74.55 C ATOM 2274 CG2 ILE B 64 -2.344 10.126 -3.548 1.00 33.11 C ATOM 2275 CD1 ILE B 64 -3.901 8.571 -1.356 1.00 41.21 C ATOM 0 H ILE B 64 -6.105 11.471 -2.888 1.00 1.35 H new ATOM 0 HA ILE B 64 -3.437 12.594 -2.787 1.00 24.12 H new ATOM 0 HB ILE B 64 -4.457 9.879 -3.795 1.00 64.33 H new ATOM 0 HG12 ILE B 64 -3.423 10.629 -1.015 1.00 74.55 H new ATOM 0 HG13 ILE B 64 -5.105 10.339 -1.415 1.00 74.55 H new ATOM 0 HG21 ILE B 64 -2.155 9.066 -3.378 1.00 33.11 H new ATOM 0 HG22 ILE B 64 -2.193 10.357 -4.603 1.00 33.11 H new ATOM 0 HG23 ILE B 64 -1.656 10.719 -2.945 1.00 33.11 H new ATOM 0 HD11 ILE B 64 -4.120 8.389 -0.304 1.00 41.21 H new ATOM 0 HD12 ILE B 64 -4.580 7.984 -1.975 1.00 41.21 H new ATOM 0 HD13 ILE B 64 -2.873 8.279 -1.568 1.00 41.21 H new ATOM 2287 N PHE B 65 -2.944 13.231 -5.156 1.00 20.10 N ATOM 2288 CA PHE B 65 -2.575 13.661 -6.528 1.00 52.24 C ATOM 2289 C PHE B 65 -1.090 13.312 -6.783 1.00 23.40 C ATOM 2290 O PHE B 65 -0.193 13.813 -6.093 1.00 2.43 O ATOM 2291 CB PHE B 65 -2.821 15.182 -6.685 1.00 35.42 C ATOM 2292 CG PHE B 65 -2.603 15.761 -8.092 1.00 25.45 C ATOM 2293 CD1 PHE B 65 -1.336 16.166 -8.526 1.00 10.10 C ATOM 2294 CD2 PHE B 65 -3.672 15.926 -8.971 1.00 12.53 C ATOM 2295 CE1 PHE B 65 -1.151 16.709 -9.783 1.00 20.22 C ATOM 2296 CE2 PHE B 65 -3.484 16.467 -10.229 1.00 62.41 C ATOM 2297 CZ PHE B 65 -2.225 16.858 -10.635 1.00 14.23 C ATOM 0 H PHE B 65 -2.374 13.668 -4.432 1.00 20.10 H new ATOM 0 HA PHE B 65 -3.191 13.141 -7.261 1.00 52.24 H new ATOM 0 HB2 PHE B 65 -3.845 15.397 -6.381 1.00 35.42 H new ATOM 0 HB3 PHE B 65 -2.165 15.709 -5.992 1.00 35.42 H new ATOM 0 HD1 PHE B 65 -0.488 16.052 -7.867 1.00 10.10 H new ATOM 0 HD2 PHE B 65 -4.663 15.626 -8.664 1.00 12.53 H new ATOM 0 HE1 PHE B 65 -0.165 17.017 -10.098 1.00 20.22 H new ATOM 0 HE2 PHE B 65 -4.325 16.584 -10.896 1.00 62.41 H new ATOM 0 HZ PHE B 65 -2.081 17.280 -11.619 1.00 14.23 H new ATOM 2307 N VAL B 66 -0.840 12.462 -7.786 1.00 75.52 N ATOM 2308 CA VAL B 66 0.494 11.862 -8.046 1.00 41.24 C ATOM 2309 C VAL B 66 0.898 12.007 -9.528 1.00 44.15 C ATOM 2310 O VAL B 66 0.043 12.251 -10.385 1.00 41.33 O ATOM 2311 CB VAL B 66 0.508 10.344 -7.635 1.00 14.24 C ATOM 2312 CG1 VAL B 66 0.181 10.174 -6.142 1.00 54.33 C ATOM 2313 CG2 VAL B 66 -0.478 9.527 -8.489 1.00 74.01 C ATOM 0 H VAL B 66 -1.555 12.163 -8.449 1.00 75.52 H new ATOM 0 HA VAL B 66 1.220 12.403 -7.439 1.00 41.24 H new ATOM 0 HB VAL B 66 1.514 9.966 -7.816 1.00 14.24 H new ATOM 0 HG11 VAL B 66 0.197 9.115 -5.884 1.00 54.33 H new ATOM 0 HG12 VAL B 66 0.922 10.704 -5.544 1.00 54.33 H new ATOM 0 HG13 VAL B 66 -0.809 10.582 -5.938 1.00 54.33 H new ATOM 0 HG21 VAL B 66 -0.446 8.482 -8.182 1.00 74.01 H new ATOM 0 HG22 VAL B 66 -1.487 9.915 -8.351 1.00 74.01 H new ATOM 0 HG23 VAL B 66 -0.200 9.605 -9.540 1.00 74.01 H new ATOM 2323 N LYS B 67 2.211 11.873 -9.815 1.00 12.25 N ATOM 2324 CA LYS B 67 2.742 11.923 -11.210 1.00 42.40 C ATOM 2325 C LYS B 67 4.081 11.171 -11.313 1.00 41.44 C ATOM 2326 O LYS B 67 4.728 10.918 -10.295 1.00 3.11 O ATOM 2327 CB LYS B 67 2.913 13.395 -11.724 1.00 35.31 C ATOM 2328 CG LYS B 67 3.999 14.259 -11.025 1.00 11.51 C ATOM 2329 CD LYS B 67 3.634 14.676 -9.579 1.00 21.24 C ATOM 2330 CE LYS B 67 2.398 15.586 -9.498 1.00 32.43 C ATOM 2331 NZ LYS B 67 2.104 15.986 -8.099 1.00 42.34 N ATOM 0 H LYS B 67 2.929 11.729 -9.105 1.00 12.25 H new ATOM 0 HA LYS B 67 2.006 11.432 -11.847 1.00 42.40 H new ATOM 0 HB2 LYS B 67 3.141 13.359 -12.789 1.00 35.31 H new ATOM 0 HB3 LYS B 67 1.955 13.904 -11.621 1.00 35.31 H new ATOM 0 HG2 LYS B 67 4.936 13.702 -11.007 1.00 11.51 H new ATOM 0 HG3 LYS B 67 4.173 15.156 -11.619 1.00 11.51 H new ATOM 0 HD2 LYS B 67 3.455 13.780 -8.985 1.00 21.24 H new ATOM 0 HD3 LYS B 67 4.484 15.191 -9.132 1.00 21.24 H new ATOM 0 HE2 LYS B 67 2.561 16.477 -10.105 1.00 32.43 H new ATOM 0 HE3 LYS B 67 1.536 15.068 -9.918 1.00 32.43 H new ATOM 0 HZ1 LYS B 67 1.375 16.728 -8.096 1.00 42.34 H new ATOM 0 HZ2 LYS B 67 1.760 15.161 -7.567 1.00 42.34 H new ATOM 0 HZ3 LYS B 67 2.970 16.349 -7.653 1.00 42.34 H new ATOM 2345 N LEU B 68 4.492 10.832 -12.548 1.00 50.44 N ATOM 2346 CA LEU B 68 5.776 10.145 -12.803 1.00 44.15 C ATOM 2347 C LEU B 68 6.982 11.077 -12.522 1.00 44.41 C ATOM 2348 O LEU B 68 6.979 12.252 -12.921 1.00 40.34 O ATOM 2349 CB LEU B 68 5.863 9.630 -14.271 1.00 0.14 C ATOM 2350 CG LEU B 68 4.775 8.604 -14.728 1.00 33.54 C ATOM 2351 CD1 LEU B 68 5.054 8.090 -16.157 1.00 61.15 C ATOM 2352 CD2 LEU B 68 4.643 7.429 -13.739 1.00 32.10 C ATOM 0 H LEU B 68 3.951 11.023 -13.392 1.00 50.44 H new ATOM 0 HA LEU B 68 5.816 9.294 -12.123 1.00 44.15 H new ATOM 0 HB2 LEU B 68 5.816 10.492 -14.936 1.00 0.14 H new ATOM 0 HB3 LEU B 68 6.842 9.171 -14.412 1.00 0.14 H new ATOM 0 HG LEU B 68 3.822 9.133 -14.738 1.00 33.54 H new ATOM 0 HD11 LEU B 68 4.280 7.379 -16.445 1.00 61.15 H new ATOM 0 HD12 LEU B 68 5.053 8.929 -16.852 1.00 61.15 H new ATOM 0 HD13 LEU B 68 6.027 7.599 -16.183 1.00 61.15 H new ATOM 0 HD21 LEU B 68 3.877 6.739 -14.093 1.00 32.10 H new ATOM 0 HD22 LEU B 68 5.596 6.906 -13.666 1.00 32.10 H new ATOM 0 HD23 LEU B 68 4.362 7.810 -12.757 1.00 32.10 H new ATOM 2364 N VAL B 69 8.009 10.539 -11.835 1.00 41.30 N ATOM 2365 CA VAL B 69 9.300 11.231 -11.657 1.00 43.24 C ATOM 2366 C VAL B 69 10.108 11.182 -12.976 1.00 41.10 C ATOM 2367 O VAL B 69 10.954 10.320 -13.163 1.00 72.21 O ATOM 2368 CB VAL B 69 10.148 10.628 -10.460 1.00 20.43 C ATOM 2369 CG1 VAL B 69 11.526 11.333 -10.294 1.00 2.33 C ATOM 2370 CG2 VAL B 69 9.358 10.683 -9.143 1.00 5.20 C ATOM 0 H VAL B 69 7.968 9.621 -11.392 1.00 41.30 H new ATOM 0 HA VAL B 69 9.086 12.268 -11.400 1.00 43.24 H new ATOM 0 HB VAL B 69 10.344 9.586 -10.711 1.00 20.43 H new ATOM 0 HG11 VAL B 69 12.067 10.883 -9.461 1.00 2.33 H new ATOM 0 HG12 VAL B 69 12.107 11.217 -11.209 1.00 2.33 H new ATOM 0 HG13 VAL B 69 11.371 12.393 -10.095 1.00 2.33 H new ATOM 0 HG21 VAL B 69 9.962 10.263 -8.339 1.00 5.20 H new ATOM 0 HG22 VAL B 69 9.112 11.719 -8.909 1.00 5.20 H new ATOM 0 HG23 VAL B 69 8.439 10.106 -9.246 1.00 5.20 H new ATOM 2380 N LEU B 70 9.820 12.108 -13.903 1.00 44.11 N ATOM 2381 CA LEU B 70 10.572 12.231 -15.177 1.00 11.35 C ATOM 2382 C LEU B 70 12.052 12.648 -14.922 1.00 64.22 C ATOM 2383 O LEU B 70 12.919 12.473 -15.784 1.00 23.23 O ATOM 2384 CB LEU B 70 9.850 13.239 -16.112 1.00 44.53 C ATOM 2385 CG LEU B 70 8.384 12.857 -16.511 1.00 24.21 C ATOM 2386 CD1 LEU B 70 7.723 13.956 -17.374 1.00 31.34 C ATOM 2387 CD2 LEU B 70 8.334 11.479 -17.213 1.00 22.34 C ATOM 0 H LEU B 70 9.068 12.790 -13.800 1.00 44.11 H new ATOM 0 HA LEU B 70 10.598 11.258 -15.667 1.00 11.35 H new ATOM 0 HB2 LEU B 70 9.833 14.213 -15.623 1.00 44.53 H new ATOM 0 HB3 LEU B 70 10.439 13.349 -17.023 1.00 44.53 H new ATOM 0 HG LEU B 70 7.806 12.779 -15.590 1.00 24.21 H new ATOM 0 HD11 LEU B 70 6.707 13.655 -17.631 1.00 31.34 H new ATOM 0 HD12 LEU B 70 7.694 14.890 -16.813 1.00 31.34 H new ATOM 0 HD13 LEU B 70 8.301 14.099 -18.287 1.00 31.34 H new ATOM 0 HD21 LEU B 70 7.303 11.243 -17.477 1.00 22.34 H new ATOM 0 HD22 LEU B 70 8.943 11.509 -18.117 1.00 22.34 H new ATOM 0 HD23 LEU B 70 8.721 10.714 -16.540 1.00 22.34 H new ATOM 2399 N GLU B 71 12.311 13.162 -13.705 1.00 25.11 N ATOM 2400 CA GLU B 71 13.656 13.529 -13.201 1.00 11.23 C ATOM 2401 C GLU B 71 14.664 12.337 -13.196 1.00 2.44 C ATOM 2402 O GLU B 71 15.882 12.554 -13.249 1.00 61.53 O ATOM 2403 CB GLU B 71 13.482 14.116 -11.774 1.00 32.33 C ATOM 2404 CG GLU B 71 14.762 14.615 -11.081 1.00 40.43 C ATOM 2405 CD GLU B 71 14.485 15.244 -9.703 1.00 64.43 C ATOM 2406 OE1 GLU B 71 14.305 14.494 -8.720 1.00 11.23 O ATOM 2407 OE2 GLU B 71 14.427 16.492 -9.602 1.00 22.50 O ATOM 0 H GLU B 71 11.573 13.340 -13.024 1.00 25.11 H new ATOM 0 HA GLU B 71 14.090 14.265 -13.878 1.00 11.23 H new ATOM 0 HB2 GLU B 71 12.777 14.946 -11.829 1.00 32.33 H new ATOM 0 HB3 GLU B 71 13.027 13.352 -11.143 1.00 32.33 H new ATOM 0 HG2 GLU B 71 15.455 13.782 -10.963 1.00 40.43 H new ATOM 0 HG3 GLU B 71 15.253 15.350 -11.719 1.00 40.43 H new ATOM 2414 N HIS B 72 14.155 11.074 -13.151 1.00 11.15 N ATOM 2415 CA HIS B 72 15.028 9.861 -13.245 1.00 71.21 C ATOM 2416 C HIS B 72 15.790 9.777 -14.599 1.00 53.11 C ATOM 2417 O HIS B 72 16.754 9.018 -14.741 1.00 31.13 O ATOM 2418 CB HIS B 72 14.240 8.546 -12.957 1.00 11.14 C ATOM 2419 CG HIS B 72 13.033 8.245 -13.833 1.00 0.10 C ATOM 2420 ND1 HIS B 72 11.863 7.701 -13.333 1.00 34.24 N ATOM 2421 CD2 HIS B 72 12.812 8.398 -15.165 1.00 22.30 C ATOM 2422 CE1 HIS B 72 10.994 7.537 -14.309 1.00 51.12 C ATOM 2423 NE2 HIS B 72 11.542 7.950 -15.429 1.00 61.34 N ATOM 0 H HIS B 72 13.161 10.867 -13.052 1.00 11.15 H new ATOM 0 HA HIS B 72 15.779 9.970 -12.463 1.00 71.21 H new ATOM 0 HB2 HIS B 72 14.935 7.711 -13.044 1.00 11.14 H new ATOM 0 HB3 HIS B 72 13.905 8.575 -11.920 1.00 11.14 H new ATOM 0 HD2 HIS B 72 13.509 8.799 -15.885 1.00 22.30 H new ATOM 0 HE1 HIS B 72 9.998 7.131 -14.206 1.00 51.12 H new ATOM 0 HE2 HIS B 72 11.096 7.939 -16.346 1.00 61.34 H new ATOM 2432 N HIS B 73 15.316 10.541 -15.595 1.00 14.42 N ATOM 2433 CA HIS B 73 16.054 10.814 -16.844 1.00 72.22 C ATOM 2434 C HIS B 73 16.229 12.339 -17.009 1.00 41.32 C ATOM 2435 O HIS B 73 15.636 12.959 -17.901 1.00 42.22 O ATOM 2436 CB HIS B 73 15.334 10.193 -18.072 1.00 61.51 C ATOM 2437 CG HIS B 73 15.377 8.688 -18.130 1.00 22.42 C ATOM 2438 ND1 HIS B 73 14.257 7.903 -18.293 1.00 63.41 N ATOM 2439 CD2 HIS B 73 16.424 7.828 -18.080 1.00 50.32 C ATOM 2440 CE1 HIS B 73 14.610 6.636 -18.339 1.00 3.24 C ATOM 2441 NE2 HIS B 73 15.917 6.559 -18.216 1.00 71.33 N ATOM 0 H HIS B 73 14.402 10.992 -15.559 1.00 14.42 H new ATOM 0 HA HIS B 73 17.037 10.348 -16.784 1.00 72.22 H new ATOM 0 HB2 HIS B 73 14.292 10.514 -18.066 1.00 61.51 H new ATOM 0 HB3 HIS B 73 15.785 10.591 -18.981 1.00 61.51 H new ATOM 0 HD2 HIS B 73 17.464 8.092 -17.956 1.00 50.32 H new ATOM 0 HE1 HIS B 73 13.938 5.799 -18.458 1.00 3.24 H new ATOM 0 HE2 HIS B 73 16.464 5.698 -18.221 1.00 71.33 H new ATOM 2450 N HIS B 74 17.012 12.942 -16.092 1.00 34.35 N ATOM 2451 CA HIS B 74 17.359 14.380 -16.144 1.00 51.54 C ATOM 2452 C HIS B 74 18.194 14.691 -17.421 1.00 12.00 C ATOM 2453 O HIS B 74 19.413 14.489 -17.450 1.00 44.13 O ATOM 2454 CB HIS B 74 18.120 14.795 -14.851 1.00 1.14 C ATOM 2455 CG HIS B 74 18.522 16.247 -14.803 1.00 23.23 C ATOM 2456 ND1 HIS B 74 19.736 16.702 -15.277 1.00 51.25 N ATOM 2457 CD2 HIS B 74 17.871 17.342 -14.343 1.00 11.43 C ATOM 2458 CE1 HIS B 74 19.811 18.004 -15.119 1.00 11.43 C ATOM 2459 NE2 HIS B 74 18.697 18.420 -14.553 1.00 73.21 N ATOM 0 H HIS B 74 17.421 12.450 -15.297 1.00 34.35 H new ATOM 0 HA HIS B 74 16.442 14.966 -16.197 1.00 51.54 H new ATOM 0 HB2 HIS B 74 17.491 14.576 -13.988 1.00 1.14 H new ATOM 0 HB3 HIS B 74 19.015 14.180 -14.758 1.00 1.14 H new ATOM 0 HD2 HIS B 74 16.888 17.364 -13.896 1.00 11.43 H new ATOM 0 HE1 HIS B 74 20.645 18.628 -15.405 1.00 11.43 H new ATOM 0 HE2 HIS B 74 18.482 19.387 -14.310 1.00 73.21 H new ATOM 2468 N HIS B 75 17.504 15.154 -18.473 1.00 70.20 N ATOM 2469 CA HIS B 75 18.094 15.403 -19.800 1.00 24.31 C ATOM 2470 C HIS B 75 18.733 16.812 -19.864 1.00 54.14 C ATOM 2471 O HIS B 75 18.029 17.822 -19.912 1.00 74.21 O ATOM 2472 CB HIS B 75 16.988 15.238 -20.879 1.00 44.21 C ATOM 2473 CG HIS B 75 17.443 15.433 -22.301 1.00 32.31 C ATOM 2474 ND1 HIS B 75 16.887 16.366 -23.153 1.00 1.21 N ATOM 2475 CD2 HIS B 75 18.381 14.785 -23.031 1.00 41.43 C ATOM 2476 CE1 HIS B 75 17.461 16.288 -24.331 1.00 43.34 C ATOM 2477 NE2 HIS B 75 18.369 15.335 -24.287 1.00 33.51 N ATOM 0 H HIS B 75 16.508 15.369 -18.428 1.00 70.20 H new ATOM 0 HA HIS B 75 18.889 14.681 -19.987 1.00 24.31 H new ATOM 0 HB2 HIS B 75 16.558 14.241 -20.786 1.00 44.21 H new ATOM 0 HB3 HIS B 75 16.190 15.950 -20.669 1.00 44.21 H new ATOM 0 HD2 HIS B 75 19.020 13.984 -22.688 1.00 41.43 H new ATOM 0 HE1 HIS B 75 17.228 16.901 -25.190 1.00 43.34 H new ATOM 0 HE2 HIS B 75 18.967 15.052 -25.063 1.00 33.51 H new ATOM 2486 N HIS B 76 20.074 16.859 -19.833 1.00 51.02 N ATOM 2487 CA HIS B 76 20.846 18.115 -19.938 1.00 31.33 C ATOM 2488 C HIS B 76 21.298 18.348 -21.406 1.00 11.33 C ATOM 2489 O HIS B 76 21.870 17.448 -22.034 1.00 21.44 O ATOM 2490 CB HIS B 76 22.067 18.055 -18.983 1.00 11.00 C ATOM 2491 CG HIS B 76 22.920 19.296 -18.968 1.00 63.33 C ATOM 2492 ND1 HIS B 76 24.162 19.360 -19.559 1.00 3.13 N ATOM 2493 CD2 HIS B 76 22.719 20.511 -18.403 1.00 30.50 C ATOM 2494 CE1 HIS B 76 24.683 20.547 -19.366 1.00 74.13 C ATOM 2495 NE2 HIS B 76 23.833 21.269 -18.667 1.00 63.23 N ATOM 0 H HIS B 76 20.658 16.028 -19.734 1.00 51.02 H new ATOM 0 HA HIS B 76 20.215 18.954 -19.645 1.00 31.33 H new ATOM 0 HB2 HIS B 76 21.710 17.865 -17.971 1.00 11.00 H new ATOM 0 HB3 HIS B 76 22.690 17.207 -19.266 1.00 11.00 H new ATOM 0 HD2 HIS B 76 21.846 20.824 -17.849 1.00 30.50 H new ATOM 0 HE1 HIS B 76 25.648 20.877 -19.721 1.00 74.13 H new ATOM 0 HE2 HIS B 76 23.978 22.234 -18.370 1.00 63.23 H new ATOM 2504 N HIS B 77 21.034 19.559 -21.934 1.00 53.30 N ATOM 2505 CA HIS B 77 21.386 19.948 -23.320 1.00 35.23 C ATOM 2506 C HIS B 77 22.908 20.182 -23.484 1.00 70.14 C ATOM 2507 O HIS B 77 23.597 20.629 -22.560 1.00 70.02 O ATOM 2508 CB HIS B 77 20.575 21.221 -23.701 1.00 50.43 C ATOM 2509 CG HIS B 77 20.823 21.749 -25.101 1.00 51.43 C ATOM 2510 ND1 HIS B 77 20.396 21.097 -26.241 1.00 62.01 N ATOM 2511 CD2 HIS B 77 21.462 22.862 -25.539 1.00 11.54 C ATOM 2512 CE1 HIS B 77 20.764 21.777 -27.308 1.00 60.23 C ATOM 2513 NE2 HIS B 77 21.410 22.849 -26.910 1.00 23.12 N ATOM 0 H HIS B 77 20.568 20.301 -21.411 1.00 53.30 H new ATOM 0 HA HIS B 77 21.127 19.132 -23.995 1.00 35.23 H new ATOM 0 HB2 HIS B 77 19.513 21.001 -23.596 1.00 50.43 H new ATOM 0 HB3 HIS B 77 20.809 22.009 -22.986 1.00 50.43 H new ATOM 0 HD2 HIS B 77 21.926 23.618 -24.923 1.00 11.54 H new ATOM 0 HE1 HIS B 77 20.568 21.500 -28.333 1.00 60.23 H new ATOM 0 HE2 HIS B 77 21.810 23.559 -27.523 1.00 23.12 H new TER 2522 HIS B 77