USER MOD reduce.3.24.130724 H: found=0, std=0, add=817, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 815 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 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 104 GLN : amide:sc= -0.0127 X(o=-0.013,f=-0.3) USER MOD Set 2.1: A 58 ASN : amide:sc= -1.3 K(o=-0.39,f=-5.5!) USER MOD Set 2.2: A 59 SER OG : rot 68:sc= 0.911 USER MOD Set 3.1: A 26 MET CE :methyl -174:sc= -0.0031 (180deg=0) USER MOD Set 3.2: A 45 CYS SG : rot -150:sc= -0.448 USER MOD Single : A 1 MET N :NH3+ 168:sc= -0.153 (180deg=-0.534) USER MOD Single : A 4 SER OG : rot 85:sc= 0.0821 USER MOD Single : A 9 THR OG1 : rot 79:sc= 0.409 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= -0.0111 X(o=-0.011,f=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.0113 USER MOD Single : A 40 SER OG : rot 47:sc= 0.0112 USER MOD Single : A 46 CYS SG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 140:sc= -0.922 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= -0.124 K(o=-0.12,f=-0.94) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 CYS SG : rot -124:sc= 0.11 USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 GLN : amide:sc= -0.174 X(o=-0.17,f=-0.17) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= -0.634 USER MOD Single : A 109 ASN : amide:sc=-0.000126 X(o=-0.00013,f=-0.00013) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.357 0.318 -0.169 1.00 13.01 N ATOM 2 CA MET A 1 3.244 0.018 -1.287 1.00 11.22 C ATOM 3 C MET A 1 2.474 -0.631 -2.433 1.00 23.14 C ATOM 4 O MET A 1 2.919 -1.626 -3.006 1.00 42.10 O ATOM 5 CB MET A 1 4.378 -0.902 -0.833 1.00 23.54 C ATOM 6 CG MET A 1 3.897 -2.145 -0.102 1.00 33.31 C ATOM 7 SD MET A 1 5.253 -3.133 0.558 1.00 5.40 S ATOM 8 CE MET A 1 4.979 -4.690 -0.282 1.00 73.33 C ATOM 0 H1 MET A 1 2.924 0.567 0.667 1.00 13.01 H new ATOM 0 H2 MET A 1 1.741 1.117 -0.420 1.00 13.01 H new ATOM 0 H3 MET A 1 1.773 -0.516 0.044 1.00 13.01 H new ATOM 0 HA MET A 1 3.668 0.956 -1.644 1.00 11.22 H new ATOM 0 HB2 MET A 1 4.960 -1.205 -1.704 1.00 23.54 H new ATOM 0 HB3 MET A 1 5.049 -0.343 -0.180 1.00 23.54 H new ATOM 0 HG2 MET A 1 3.238 -1.849 0.714 1.00 33.31 H new ATOM 0 HG3 MET A 1 3.306 -2.756 -0.784 1.00 33.31 H new ATOM 0 HE1 MET A 1 5.741 -5.407 0.024 1.00 73.33 H new ATOM 0 HE2 MET A 1 3.993 -5.075 -0.022 1.00 73.33 H new ATOM 0 HE3 MET A 1 5.036 -4.537 -1.360 1.00 73.33 H new ATOM 18 N ILE A 2 1.319 -0.063 -2.760 1.00 51.44 N ATOM 19 CA ILE A 2 0.489 -0.586 -3.838 1.00 60.51 C ATOM 20 C ILE A 2 0.112 0.513 -4.825 1.00 72.24 C ATOM 21 O ILE A 2 -1.028 0.975 -4.872 1.00 74.12 O ATOM 22 CB ILE A 2 -0.797 -1.236 -3.294 1.00 11.53 C ATOM 23 CG1 ILE A 2 -1.488 -0.297 -2.303 1.00 11.44 C ATOM 24 CG2 ILE A 2 -0.479 -2.569 -2.635 1.00 32.34 C ATOM 25 CD1 ILE A 2 -2.961 -0.097 -2.585 1.00 63.32 C ATOM 0 H ILE A 2 0.936 0.760 -2.294 1.00 51.44 H new ATOM 0 HA ILE A 2 1.080 -1.344 -4.351 1.00 60.51 H new ATOM 0 HB ILE A 2 -1.475 -1.418 -4.127 1.00 11.53 H new ATOM 0 HG12 ILE A 2 -1.370 -0.695 -1.295 1.00 11.44 H new ATOM 0 HG13 ILE A 2 -0.988 0.671 -2.323 1.00 11.44 H new ATOM 0 HG21 ILE A 2 -1.398 -3.016 -2.256 1.00 32.34 H new ATOM 0 HG22 ILE A 2 -0.026 -3.238 -3.367 1.00 32.34 H new ATOM 0 HG23 ILE A 2 0.215 -2.410 -1.810 1.00 32.34 H new ATOM 0 HD11 ILE A 2 -3.385 0.580 -1.843 1.00 63.32 H new ATOM 0 HD12 ILE A 2 -3.086 0.331 -3.580 1.00 63.32 H new ATOM 0 HD13 ILE A 2 -3.475 -1.057 -2.536 1.00 63.32 H new ATOM 37 N PRO A 3 1.091 0.942 -5.636 1.00 33.22 N ATOM 38 CA PRO A 3 0.885 1.990 -6.639 1.00 41.33 C ATOM 39 C PRO A 3 0.002 1.525 -7.792 1.00 34.34 C ATOM 40 O PRO A 3 0.127 0.396 -8.266 1.00 22.44 O ATOM 41 CB PRO A 3 2.302 2.287 -7.138 1.00 33.12 C ATOM 42 CG PRO A 3 3.063 1.032 -6.883 1.00 43.22 C ATOM 43 CD PRO A 3 2.474 0.436 -5.635 1.00 74.21 C ATOM 0 HA PRO A 3 0.374 2.858 -6.222 1.00 41.33 H new ATOM 0 HB2 PRO A 3 2.303 2.543 -8.198 1.00 33.12 H new ATOM 0 HB3 PRO A 3 2.741 3.131 -6.606 1.00 33.12 H new ATOM 0 HG2 PRO A 3 2.974 0.344 -7.724 1.00 43.22 H new ATOM 0 HG3 PRO A 3 4.125 1.239 -6.753 1.00 43.22 H new ATOM 0 HD2 PRO A 3 2.503 -0.653 -5.657 1.00 74.21 H new ATOM 0 HD3 PRO A 3 3.017 0.751 -4.744 1.00 74.21 H new ATOM 51 N SER A 4 -0.892 2.402 -8.238 1.00 62.31 N ATOM 52 CA SER A 4 -1.799 2.079 -9.333 1.00 61.32 C ATOM 53 C SER A 4 -2.732 0.935 -8.947 1.00 1.25 C ATOM 54 O SER A 4 -3.135 0.135 -9.791 1.00 54.30 O ATOM 55 CB SER A 4 -1.006 1.703 -10.587 1.00 2.45 C ATOM 56 OG SER A 4 -1.437 2.456 -11.707 1.00 42.02 O ATOM 0 H SER A 4 -1.007 3.341 -7.858 1.00 62.31 H new ATOM 0 HA SER A 4 -2.402 2.962 -9.544 1.00 61.32 H new ATOM 0 HB2 SER A 4 0.056 1.876 -10.415 1.00 2.45 H new ATOM 0 HB3 SER A 4 -1.126 0.639 -10.792 1.00 2.45 H new ATOM 0 HG SER A 4 -0.972 3.319 -11.720 1.00 42.02 H new ATOM 62 N PHE A 5 -3.071 0.864 -7.664 1.00 3.55 N ATOM 63 CA PHE A 5 -3.955 -0.181 -7.163 1.00 33.11 C ATOM 64 C PHE A 5 -3.504 -1.555 -7.651 1.00 12.23 C ATOM 65 O PHE A 5 -4.008 -2.066 -8.650 1.00 62.33 O ATOM 66 CB PHE A 5 -5.395 0.083 -7.608 1.00 11.21 C ATOM 67 CG PHE A 5 -5.955 1.377 -7.090 1.00 3.20 C ATOM 68 CD1 PHE A 5 -6.228 1.539 -5.741 1.00 63.23 C ATOM 69 CD2 PHE A 5 -6.208 2.432 -7.952 1.00 51.00 C ATOM 70 CE1 PHE A 5 -6.742 2.728 -5.261 1.00 53.52 C ATOM 71 CE2 PHE A 5 -6.722 3.624 -7.478 1.00 12.02 C ATOM 72 CZ PHE A 5 -6.991 3.772 -6.131 1.00 42.10 C ATOM 0 H PHE A 5 -2.746 1.518 -6.952 1.00 3.55 H new ATOM 0 HA PHE A 5 -3.910 -0.169 -6.074 1.00 33.11 H new ATOM 0 HB2 PHE A 5 -5.435 0.089 -8.697 1.00 11.21 H new ATOM 0 HB3 PHE A 5 -6.027 -0.738 -7.271 1.00 11.21 H new ATOM 0 HD1 PHE A 5 -6.037 0.726 -5.057 1.00 63.23 H new ATOM 0 HD2 PHE A 5 -6.001 2.321 -9.006 1.00 51.00 H new ATOM 0 HE1 PHE A 5 -6.949 2.841 -4.207 1.00 53.52 H new ATOM 0 HE2 PHE A 5 -6.913 4.439 -8.160 1.00 12.02 H new ATOM 0 HZ PHE A 5 -7.395 4.702 -5.759 1.00 42.10 H new ATOM 82 N ALA A 6 -2.551 -2.146 -6.937 1.00 53.15 N ATOM 83 CA ALA A 6 -2.033 -3.460 -7.296 1.00 22.11 C ATOM 84 C ALA A 6 -1.328 -3.422 -8.647 1.00 64.25 C ATOM 85 O ALA A 6 -1.893 -3.781 -9.680 1.00 75.23 O ATOM 86 CB ALA A 6 -3.158 -4.484 -7.314 1.00 62.30 C ATOM 0 H ALA A 6 -2.123 -1.736 -6.107 1.00 53.15 H new ATOM 0 HA ALA A 6 -1.302 -3.753 -6.543 1.00 22.11 H new ATOM 0 HB1 ALA A 6 -2.757 -5.461 -7.584 1.00 62.30 H new ATOM 0 HB2 ALA A 6 -3.615 -4.540 -6.326 1.00 62.30 H new ATOM 0 HB3 ALA A 6 -3.909 -4.186 -8.045 1.00 62.30 H new ATOM 92 N PRO A 7 -0.063 -2.976 -8.643 1.00 64.35 N ATOM 93 CA PRO A 7 0.747 -2.881 -9.862 1.00 11.32 C ATOM 94 C PRO A 7 1.128 -4.250 -10.414 1.00 32.23 C ATOM 95 O PRO A 7 1.534 -5.140 -9.667 1.00 45.34 O ATOM 96 CB PRO A 7 1.995 -2.124 -9.400 1.00 71.20 C ATOM 97 CG PRO A 7 2.091 -2.407 -7.940 1.00 53.25 C ATOM 98 CD PRO A 7 0.675 -2.532 -7.449 1.00 41.31 C ATOM 0 HA PRO A 7 0.208 -2.389 -10.672 1.00 11.32 H new ATOM 0 HB2 PRO A 7 2.884 -2.467 -9.929 1.00 71.20 H new ATOM 0 HB3 PRO A 7 1.903 -1.055 -9.591 1.00 71.20 H new ATOM 0 HG2 PRO A 7 2.650 -3.324 -7.756 1.00 53.25 H new ATOM 0 HG3 PRO A 7 2.615 -1.605 -7.420 1.00 53.25 H new ATOM 0 HD2 PRO A 7 0.594 -3.253 -6.636 1.00 41.31 H new ATOM 0 HD3 PRO A 7 0.295 -1.582 -7.072 1.00 41.31 H new ATOM 106 N GLY A 8 0.994 -4.413 -11.727 1.00 13.44 N ATOM 107 CA GLY A 8 1.328 -5.677 -12.356 1.00 5.23 C ATOM 108 C GLY A 8 0.107 -6.406 -12.878 1.00 35.23 C ATOM 109 O GLY A 8 0.132 -7.623 -13.064 1.00 64.31 O ATOM 0 H GLY A 8 0.660 -3.692 -12.366 1.00 13.44 H new ATOM 0 HA2 GLY A 8 2.020 -5.498 -13.179 1.00 5.23 H new ATOM 0 HA3 GLY A 8 1.846 -6.311 -11.637 1.00 5.23 H new ATOM 113 N THR A 9 -0.970 -5.662 -13.113 1.00 45.23 N ATOM 114 CA THR A 9 -2.208 -6.245 -13.614 1.00 23.11 C ATOM 115 C THR A 9 -2.378 -5.977 -15.105 1.00 33.22 C ATOM 116 O THR A 9 -2.204 -4.849 -15.567 1.00 62.03 O ATOM 117 CB THR A 9 -3.433 -5.693 -12.861 1.00 72.32 C ATOM 118 OG1 THR A 9 -3.102 -5.463 -11.487 1.00 65.23 O ATOM 119 CG2 THR A 9 -4.604 -6.661 -12.950 1.00 42.24 C ATOM 0 H THR A 9 -1.009 -4.654 -12.964 1.00 45.23 H new ATOM 0 HA THR A 9 -2.142 -7.320 -13.447 1.00 23.11 H new ATOM 0 HB THR A 9 -3.723 -4.751 -13.327 1.00 72.32 H new ATOM 0 HG1 THR A 9 -2.600 -4.625 -11.407 1.00 65.23 H new ATOM 0 HG21 THR A 9 -5.458 -6.250 -12.411 1.00 42.24 H new ATOM 0 HG22 THR A 9 -4.873 -6.811 -13.995 1.00 42.24 H new ATOM 0 HG23 THR A 9 -4.321 -7.616 -12.507 1.00 42.24 H new ATOM 127 N LEU A 10 -2.721 -7.020 -15.853 1.00 21.10 N ATOM 128 CA LEU A 10 -2.916 -6.897 -17.293 1.00 73.14 C ATOM 129 C LEU A 10 -4.384 -6.645 -17.624 1.00 42.13 C ATOM 130 O LEU A 10 -5.244 -7.485 -17.359 1.00 50.35 O ATOM 131 CB LEU A 10 -2.432 -8.162 -18.004 1.00 23.34 C ATOM 132 CG LEU A 10 -2.059 -8.003 -19.478 1.00 24.31 C ATOM 133 CD1 LEU A 10 -1.302 -9.227 -19.972 1.00 52.30 C ATOM 134 CD2 LEU A 10 -3.304 -7.767 -20.321 1.00 25.44 C ATOM 0 H LEU A 10 -2.870 -7.960 -15.486 1.00 21.10 H new ATOM 0 HA LEU A 10 -2.332 -6.046 -17.642 1.00 73.14 H new ATOM 0 HB2 LEU A 10 -1.563 -8.545 -17.469 1.00 23.34 H new ATOM 0 HB3 LEU A 10 -3.213 -8.919 -17.927 1.00 23.34 H new ATOM 0 HG LEU A 10 -1.408 -7.134 -19.577 1.00 24.31 H new ATOM 0 HD11 LEU A 10 -1.045 -9.096 -21.023 1.00 52.30 H new ATOM 0 HD12 LEU A 10 -0.390 -9.351 -19.388 1.00 52.30 H new ATOM 0 HD13 LEU A 10 -1.928 -10.112 -19.859 1.00 52.30 H new ATOM 0 HD21 LEU A 10 -3.019 -7.656 -21.367 1.00 25.44 H new ATOM 0 HD22 LEU A 10 -3.980 -8.616 -20.217 1.00 25.44 H new ATOM 0 HD23 LEU A 10 -3.805 -6.860 -19.983 1.00 25.44 H new ATOM 146 N VAL A 11 -4.663 -5.483 -18.207 1.00 64.10 N ATOM 147 CA VAL A 11 -6.025 -5.121 -18.578 1.00 35.33 C ATOM 148 C VAL A 11 -6.152 -4.929 -20.085 1.00 14.33 C ATOM 149 O VAL A 11 -5.193 -5.131 -20.829 1.00 52.23 O ATOM 150 CB VAL A 11 -6.477 -3.832 -17.867 1.00 0.24 C ATOM 151 CG1 VAL A 11 -6.669 -4.082 -16.379 1.00 13.34 C ATOM 152 CG2 VAL A 11 -5.472 -2.714 -18.102 1.00 73.14 C ATOM 0 H VAL A 11 -3.963 -4.776 -18.432 1.00 64.10 H new ATOM 0 HA VAL A 11 -6.667 -5.944 -18.264 1.00 35.33 H new ATOM 0 HB VAL A 11 -7.435 -3.523 -18.286 1.00 0.24 H new ATOM 0 HG11 VAL A 11 -6.988 -3.160 -15.893 1.00 13.34 H new ATOM 0 HG12 VAL A 11 -7.429 -4.850 -16.234 1.00 13.34 H new ATOM 0 HG13 VAL A 11 -5.728 -4.415 -15.942 1.00 13.34 H new ATOM 0 HG21 VAL A 11 -5.807 -1.811 -17.593 1.00 73.14 H new ATOM 0 HG22 VAL A 11 -4.499 -3.011 -17.711 1.00 73.14 H new ATOM 0 HG23 VAL A 11 -5.389 -2.518 -19.171 1.00 73.14 H new ATOM 162 N TRP A 12 -7.342 -4.537 -20.527 1.00 4.30 N ATOM 163 CA TRP A 12 -7.594 -4.316 -21.946 1.00 72.05 C ATOM 164 C TRP A 12 -7.949 -2.858 -22.216 1.00 52.00 C ATOM 165 O TRP A 12 -8.768 -2.267 -21.511 1.00 34.53 O ATOM 166 CB TRP A 12 -8.723 -5.227 -22.432 1.00 41.23 C ATOM 167 CG TRP A 12 -8.237 -6.537 -22.974 1.00 72.20 C ATOM 168 CD1 TRP A 12 -7.028 -7.125 -22.735 1.00 31.42 C ATOM 169 CD2 TRP A 12 -8.949 -7.420 -23.847 1.00 74.24 C ATOM 170 NE1 TRP A 12 -6.946 -8.321 -23.407 1.00 42.01 N ATOM 171 CE2 TRP A 12 -8.112 -8.525 -24.096 1.00 61.12 C ATOM 172 CE3 TRP A 12 -10.214 -7.386 -24.442 1.00 23.22 C ATOM 173 CZ2 TRP A 12 -8.499 -9.583 -24.914 1.00 72.13 C ATOM 174 CZ3 TRP A 12 -10.596 -8.437 -25.254 1.00 14.13 C ATOM 175 CH2 TRP A 12 -9.742 -9.524 -25.483 1.00 52.44 C ATOM 0 H TRP A 12 -8.146 -4.366 -19.924 1.00 4.30 H new ATOM 0 HA TRP A 12 -6.682 -4.555 -22.493 1.00 72.05 H new ATOM 0 HB2 TRP A 12 -9.409 -5.416 -21.606 1.00 41.23 H new ATOM 0 HB3 TRP A 12 -9.290 -4.710 -23.206 1.00 41.23 H new ATOM 0 HD1 TRP A 12 -6.251 -6.711 -22.110 1.00 31.42 H new ATOM 0 HE1 TRP A 12 -6.146 -8.954 -23.395 1.00 42.01 H new ATOM 0 HE3 TRP A 12 -10.880 -6.554 -24.270 1.00 23.22 H new ATOM 0 HZ2 TRP A 12 -7.841 -10.421 -25.093 1.00 72.13 H new ATOM 0 HZ3 TRP A 12 -11.570 -8.420 -25.720 1.00 14.13 H new ATOM 0 HH2 TRP A 12 -10.071 -10.331 -26.121 1.00 52.44 H new ATOM 186 N LEU A 13 -7.329 -2.282 -23.240 1.00 23.12 N ATOM 187 CA LEU A 13 -7.580 -0.892 -23.603 1.00 10.43 C ATOM 188 C LEU A 13 -8.227 -0.797 -24.981 1.00 14.15 C ATOM 189 O LEU A 13 -7.624 -1.164 -25.989 1.00 21.21 O ATOM 190 CB LEU A 13 -6.274 -0.095 -23.584 1.00 71.24 C ATOM 191 CG LEU A 13 -6.326 1.263 -22.883 1.00 62.42 C ATOM 192 CD1 LEU A 13 -5.201 1.381 -21.867 1.00 0.54 C ATOM 193 CD2 LEU A 13 -6.249 2.392 -23.901 1.00 32.44 C ATOM 0 H LEU A 13 -6.649 -2.756 -23.834 1.00 23.12 H new ATOM 0 HA LEU A 13 -8.267 -0.470 -22.870 1.00 10.43 H new ATOM 0 HB2 LEU A 13 -5.509 -0.702 -23.100 1.00 71.24 H new ATOM 0 HB3 LEU A 13 -5.953 0.062 -24.614 1.00 71.24 H new ATOM 0 HG LEU A 13 -7.276 1.342 -22.354 1.00 62.42 H new ATOM 0 HD11 LEU A 13 -5.253 2.354 -21.378 1.00 0.54 H new ATOM 0 HD12 LEU A 13 -5.301 0.593 -21.120 1.00 0.54 H new ATOM 0 HD13 LEU A 13 -4.241 1.281 -22.374 1.00 0.54 H new ATOM 0 HD21 LEU A 13 -6.287 3.351 -23.384 1.00 32.44 H new ATOM 0 HD22 LEU A 13 -5.315 2.317 -24.458 1.00 32.44 H new ATOM 0 HD23 LEU A 13 -7.090 2.318 -24.591 1.00 32.44 H new ATOM 205 N LYS A 14 -9.459 -0.300 -25.017 1.00 12.12 N ATOM 206 CA LYS A 14 -10.189 -0.153 -26.271 1.00 3.34 C ATOM 207 C LYS A 14 -10.257 1.312 -26.691 1.00 73.25 C ATOM 208 O LYS A 14 -11.028 2.091 -26.133 1.00 13.43 O ATOM 209 CB LYS A 14 -11.603 -0.721 -26.132 1.00 22.15 C ATOM 210 CG LYS A 14 -12.454 -0.546 -27.377 1.00 61.33 C ATOM 211 CD LYS A 14 -13.814 -1.206 -27.221 1.00 2.44 C ATOM 212 CE LYS A 14 -14.713 -0.918 -28.413 1.00 14.01 C ATOM 213 NZ LYS A 14 -16.106 -1.395 -28.185 1.00 43.30 N ATOM 0 H LYS A 14 -9.973 0.008 -24.192 1.00 12.12 H new ATOM 0 HA LYS A 14 -9.655 -0.710 -27.041 1.00 3.34 H new ATOM 0 HB2 LYS A 14 -11.537 -1.783 -25.893 1.00 22.15 H new ATOM 0 HB3 LYS A 14 -12.099 -0.236 -25.292 1.00 22.15 H new ATOM 0 HG2 LYS A 14 -12.586 0.516 -27.582 1.00 61.33 H new ATOM 0 HG3 LYS A 14 -11.937 -0.975 -28.235 1.00 61.33 H new ATOM 0 HD2 LYS A 14 -13.687 -2.283 -27.112 1.00 2.44 H new ATOM 0 HD3 LYS A 14 -14.291 -0.847 -26.309 1.00 2.44 H new ATOM 0 HE2 LYS A 14 -14.724 0.154 -28.609 1.00 14.01 H new ATOM 0 HE3 LYS A 14 -14.305 -1.400 -29.301 1.00 14.01 H new ATOM 0 HZ1 LYS A 14 -16.688 -1.180 -29.020 1.00 43.30 H new ATOM 0 HZ2 LYS A 14 -16.099 -2.422 -28.023 1.00 43.30 H new ATOM 0 HZ3 LYS A 14 -16.505 -0.916 -27.353 1.00 43.30 H new ATOM 227 N GLN A 15 -9.447 1.677 -27.680 1.00 15.41 N ATOM 228 CA GLN A 15 -9.418 3.048 -28.175 1.00 40.52 C ATOM 229 C GLN A 15 -10.737 3.413 -28.848 1.00 72.43 C ATOM 230 O GLN A 15 -11.549 2.540 -29.157 1.00 52.35 O ATOM 231 CB GLN A 15 -8.262 3.233 -29.160 1.00 23.34 C ATOM 232 CG GLN A 15 -7.089 4.009 -28.582 1.00 70.12 C ATOM 233 CD GLN A 15 -5.926 3.113 -28.203 1.00 14.03 C ATOM 234 OE1 GLN A 15 -4.856 3.176 -28.808 1.00 2.23 O ATOM 235 NE2 GLN A 15 -6.131 2.272 -27.196 1.00 20.21 N ATOM 0 H GLN A 15 -8.803 1.043 -28.153 1.00 15.41 H new ATOM 0 HA GLN A 15 -9.270 3.711 -27.323 1.00 40.52 H new ATOM 0 HB2 GLN A 15 -7.913 2.253 -29.486 1.00 23.34 H new ATOM 0 HB3 GLN A 15 -8.629 3.752 -30.045 1.00 23.34 H new ATOM 0 HG2 GLN A 15 -6.752 4.747 -29.310 1.00 70.12 H new ATOM 0 HG3 GLN A 15 -7.421 4.559 -27.701 1.00 70.12 H new ATOM 0 HE21 GLN A 15 -7.034 2.254 -26.723 1.00 20.21 H new ATOM 0 HE22 GLN A 15 -5.385 1.644 -26.896 1.00 20.21 H new ATOM 244 N ASP A 16 -10.944 4.706 -29.072 1.00 34.42 N ATOM 245 CA ASP A 16 -12.165 5.185 -29.709 1.00 52.40 C ATOM 246 C ASP A 16 -12.271 4.668 -31.140 1.00 62.41 C ATOM 247 O ASP A 16 -13.284 4.084 -31.526 1.00 64.31 O ATOM 248 CB ASP A 16 -12.202 6.714 -29.703 1.00 12.44 C ATOM 249 CG ASP A 16 -13.044 7.268 -28.570 1.00 54.53 C ATOM 250 OD1 ASP A 16 -13.983 8.042 -28.852 1.00 54.35 O ATOM 251 OD2 ASP A 16 -12.765 6.928 -27.402 1.00 71.41 O ATOM 0 H ASP A 16 -10.282 5.441 -28.822 1.00 34.42 H new ATOM 0 HA ASP A 16 -13.014 4.806 -29.141 1.00 52.40 H new ATOM 0 HB2 ASP A 16 -11.186 7.099 -29.618 1.00 12.44 H new ATOM 0 HB3 ASP A 16 -12.599 7.069 -30.654 1.00 12.44 H new ATOM 256 N ARG A 17 -11.219 4.887 -31.922 1.00 70.34 N ATOM 257 CA ARG A 17 -11.195 4.444 -33.311 1.00 44.33 C ATOM 258 C ARG A 17 -10.431 3.131 -33.450 1.00 61.42 C ATOM 259 O ARG A 17 -10.707 2.331 -34.345 1.00 12.31 O ATOM 260 CB ARG A 17 -10.556 5.514 -34.198 1.00 44.35 C ATOM 261 CG ARG A 17 -11.566 6.399 -34.909 1.00 54.25 C ATOM 262 CD ARG A 17 -10.883 7.393 -35.835 1.00 44.40 C ATOM 263 NE ARG A 17 -11.671 7.654 -37.037 1.00 2.04 N ATOM 264 CZ ARG A 17 -11.166 8.179 -38.147 1.00 43.42 C ATOM 265 NH1 ARG A 17 -9.880 8.498 -38.209 1.00 31.13 N ATOM 266 NH2 ARG A 17 -11.947 8.387 -39.200 1.00 21.45 N ATOM 0 H ARG A 17 -10.373 5.368 -31.618 1.00 70.34 H new ATOM 0 HA ARG A 17 -12.224 4.281 -33.632 1.00 44.33 H new ATOM 0 HB2 ARG A 17 -9.905 6.139 -33.587 1.00 44.35 H new ATOM 0 HB3 ARG A 17 -9.925 5.028 -34.942 1.00 44.35 H new ATOM 0 HG2 ARG A 17 -12.254 5.779 -35.483 1.00 54.25 H new ATOM 0 HG3 ARG A 17 -12.162 6.937 -34.172 1.00 54.25 H new ATOM 0 HD2 ARG A 17 -10.715 8.329 -35.302 1.00 44.40 H new ATOM 0 HD3 ARG A 17 -9.904 7.009 -36.120 1.00 44.40 H new ATOM 0 HE ARG A 17 -12.664 7.420 -37.023 1.00 2.04 H new ATOM 0 HH11 ARG A 17 -9.276 8.340 -37.402 1.00 31.13 H new ATOM 0 HH12 ARG A 17 -9.495 8.901 -39.063 1.00 31.13 H new ATOM 0 HH21 ARG A 17 -12.937 8.143 -39.157 1.00 21.45 H new ATOM 0 HH22 ARG A 17 -11.558 8.790 -40.052 1.00 21.45 H new ATOM 280 N PHE A 18 -9.469 2.915 -32.559 1.00 62.43 N ATOM 281 CA PHE A 18 -8.664 1.699 -32.583 1.00 62.21 C ATOM 282 C PHE A 18 -9.340 0.583 -31.791 1.00 43.42 C ATOM 283 O PHE A 18 -10.166 0.825 -30.911 1.00 50.21 O ATOM 284 CB PHE A 18 -7.271 1.973 -32.012 1.00 62.14 C ATOM 285 CG PHE A 18 -6.185 1.959 -33.050 1.00 3.23 C ATOM 286 CD1 PHE A 18 -6.315 2.691 -34.219 1.00 15.44 C ATOM 287 CD2 PHE A 18 -5.033 1.214 -32.856 1.00 60.51 C ATOM 288 CE1 PHE A 18 -5.318 2.681 -35.175 1.00 43.31 C ATOM 289 CE2 PHE A 18 -4.032 1.200 -33.809 1.00 22.13 C ATOM 290 CZ PHE A 18 -4.175 1.934 -34.970 1.00 62.42 C ATOM 0 H PHE A 18 -9.228 3.566 -31.812 1.00 62.43 H new ATOM 0 HA PHE A 18 -8.568 1.378 -33.620 1.00 62.21 H new ATOM 0 HB2 PHE A 18 -7.275 2.943 -31.515 1.00 62.14 H new ATOM 0 HB3 PHE A 18 -7.045 1.226 -31.251 1.00 62.14 H new ATOM 0 HD1 PHE A 18 -7.207 3.277 -34.385 1.00 15.44 H new ATOM 0 HD2 PHE A 18 -4.916 0.638 -31.950 1.00 60.51 H new ATOM 0 HE1 PHE A 18 -5.432 3.257 -36.082 1.00 43.31 H new ATOM 0 HE2 PHE A 18 -3.139 0.615 -33.646 1.00 22.13 H new ATOM 0 HZ PHE A 18 -3.394 1.924 -35.716 1.00 62.42 H new ATOM 300 N PRO A 19 -8.982 -0.669 -32.111 1.00 24.12 N ATOM 301 CA PRO A 19 -9.541 -1.847 -31.442 1.00 21.52 C ATOM 302 C PRO A 19 -9.065 -1.975 -29.999 1.00 32.13 C ATOM 303 O PRO A 19 -8.442 -1.062 -29.458 1.00 13.53 O ATOM 304 CB PRO A 19 -9.017 -3.015 -32.283 1.00 15.44 C ATOM 305 CG PRO A 19 -7.770 -2.498 -32.913 1.00 33.13 C ATOM 306 CD PRO A 19 -8.003 -1.031 -33.149 1.00 63.44 C ATOM 0 HA PRO A 19 -10.628 -1.802 -31.380 1.00 21.52 H new ATOM 0 HB2 PRO A 19 -8.815 -3.889 -31.664 1.00 15.44 H new ATOM 0 HB3 PRO A 19 -9.744 -3.319 -33.036 1.00 15.44 H new ATOM 0 HG2 PRO A 19 -6.910 -2.657 -32.263 1.00 33.13 H new ATOM 0 HG3 PRO A 19 -7.562 -3.016 -33.849 1.00 33.13 H new ATOM 0 HD2 PRO A 19 -7.082 -0.457 -33.050 1.00 63.44 H new ATOM 0 HD3 PRO A 19 -8.390 -0.842 -34.150 1.00 63.44 H new ATOM 314 N TRP A 20 -9.362 -3.113 -29.381 1.00 52.15 N ATOM 315 CA TRP A 20 -8.964 -3.359 -28.000 1.00 63.52 C ATOM 316 C TRP A 20 -7.702 -4.214 -27.942 1.00 11.52 C ATOM 317 O TRP A 20 -7.678 -5.337 -28.445 1.00 53.43 O ATOM 318 CB TRP A 20 -10.096 -4.048 -27.236 1.00 52.43 C ATOM 319 CG TRP A 20 -10.644 -5.251 -27.943 1.00 1.34 C ATOM 320 CD1 TRP A 20 -10.227 -6.544 -27.802 1.00 54.31 C ATOM 321 CD2 TRP A 20 -11.707 -5.271 -28.901 1.00 34.51 C ATOM 322 NE1 TRP A 20 -10.968 -7.367 -28.615 1.00 71.25 N ATOM 323 CE2 TRP A 20 -11.883 -6.611 -29.299 1.00 71.22 C ATOM 324 CE3 TRP A 20 -12.530 -4.289 -29.460 1.00 24.43 C ATOM 325 CZ2 TRP A 20 -12.846 -6.990 -30.231 1.00 31.34 C ATOM 326 CZ3 TRP A 20 -13.485 -4.667 -30.384 1.00 64.32 C ATOM 327 CH2 TRP A 20 -13.637 -6.008 -30.762 1.00 32.13 C ATOM 0 H TRP A 20 -9.877 -3.879 -29.815 1.00 52.15 H new ATOM 0 HA TRP A 20 -8.752 -2.398 -27.532 1.00 63.52 H new ATOM 0 HB2 TRP A 20 -9.732 -4.348 -26.253 1.00 52.43 H new ATOM 0 HB3 TRP A 20 -10.902 -3.333 -27.073 1.00 52.43 H new ATOM 0 HD1 TRP A 20 -9.432 -6.871 -27.148 1.00 54.31 H new ATOM 0 HE1 TRP A 20 -10.855 -8.377 -28.696 1.00 71.25 H new ATOM 0 HE3 TRP A 20 -12.421 -3.253 -29.175 1.00 24.43 H new ATOM 0 HZ2 TRP A 20 -12.964 -8.023 -30.524 1.00 31.34 H new ATOM 0 HZ3 TRP A 20 -14.125 -3.916 -30.823 1.00 64.32 H new ATOM 0 HH2 TRP A 20 -14.393 -6.271 -31.487 1.00 32.13 H new ATOM 338 N TRP A 21 -6.657 -3.675 -27.325 1.00 4.01 N ATOM 339 CA TRP A 21 -5.391 -4.389 -27.201 1.00 70.42 C ATOM 340 C TRP A 21 -4.988 -4.533 -25.738 1.00 21.02 C ATOM 341 O TRP A 21 -5.320 -3.701 -24.893 1.00 72.12 O ATOM 342 CB TRP A 21 -4.292 -3.660 -27.976 1.00 74.45 C ATOM 343 CG TRP A 21 -3.778 -4.438 -29.150 1.00 50.32 C ATOM 344 CD1 TRP A 21 -2.514 -4.926 -29.319 1.00 61.14 C ATOM 345 CD2 TRP A 21 -4.515 -4.814 -30.318 1.00 53.25 C ATOM 346 NE1 TRP A 21 -2.421 -5.583 -30.523 1.00 20.24 N ATOM 347 CE2 TRP A 21 -3.635 -5.529 -31.154 1.00 33.30 C ATOM 348 CE3 TRP A 21 -5.833 -4.618 -30.739 1.00 53.22 C ATOM 349 CZ2 TRP A 21 -4.033 -6.046 -32.384 1.00 63.41 C ATOM 350 CZ3 TRP A 21 -6.226 -5.131 -31.960 1.00 71.35 C ATOM 351 CH2 TRP A 21 -5.329 -5.839 -32.771 1.00 62.41 C ATOM 0 H TRP A 21 -6.661 -2.746 -26.903 1.00 4.01 H new ATOM 0 HA TRP A 21 -5.522 -5.386 -27.622 1.00 70.42 H new ATOM 0 HB2 TRP A 21 -4.677 -2.702 -28.325 1.00 74.45 H new ATOM 0 HB3 TRP A 21 -3.464 -3.444 -27.301 1.00 74.45 H new ATOM 0 HD1 TRP A 21 -1.706 -4.813 -28.611 1.00 61.14 H new ATOM 0 HE1 TRP A 21 -1.583 -6.037 -30.887 1.00 20.24 H new ATOM 0 HE3 TRP A 21 -6.532 -4.075 -30.121 1.00 53.22 H new ATOM 0 HZ2 TRP A 21 -3.343 -6.591 -33.011 1.00 63.41 H new ATOM 0 HZ3 TRP A 21 -7.242 -4.984 -32.295 1.00 71.35 H new ATOM 0 HH2 TRP A 21 -5.667 -6.229 -33.720 1.00 62.41 H new ATOM 362 N PRO A 22 -4.255 -5.613 -25.428 1.00 45.50 N ATOM 363 CA PRO A 22 -3.790 -5.889 -24.066 1.00 22.44 C ATOM 364 C PRO A 22 -2.716 -4.908 -23.608 1.00 53.45 C ATOM 365 O PRO A 22 -1.933 -4.409 -24.416 1.00 30.14 O ATOM 366 CB PRO A 22 -3.212 -7.303 -24.168 1.00 75.42 C ATOM 367 CG PRO A 22 -2.824 -7.451 -25.599 1.00 31.02 C ATOM 368 CD PRO A 22 -3.822 -6.646 -26.384 1.00 40.41 C ATOM 0 HA PRO A 22 -4.593 -5.792 -23.335 1.00 22.44 H new ATOM 0 HB2 PRO A 22 -2.352 -7.428 -23.510 1.00 75.42 H new ATOM 0 HB3 PRO A 22 -3.947 -8.053 -23.877 1.00 75.42 H new ATOM 0 HG2 PRO A 22 -1.810 -7.088 -25.768 1.00 31.02 H new ATOM 0 HG3 PRO A 22 -2.842 -8.498 -25.902 1.00 31.02 H new ATOM 0 HD2 PRO A 22 -3.372 -6.206 -27.274 1.00 40.41 H new ATOM 0 HD3 PRO A 22 -4.658 -7.259 -26.719 1.00 40.41 H new ATOM 376 N GLY A 23 -2.686 -4.634 -22.308 1.00 22.35 N ATOM 377 CA GLY A 23 -1.704 -3.713 -21.766 1.00 21.11 C ATOM 378 C GLY A 23 -1.489 -3.904 -20.278 1.00 11.15 C ATOM 379 O GLY A 23 -2.448 -3.993 -19.511 1.00 13.22 O ATOM 0 H GLY A 23 -3.324 -5.033 -21.620 1.00 22.35 H new ATOM 0 HA2 GLY A 23 -0.756 -3.849 -22.287 1.00 21.11 H new ATOM 0 HA3 GLY A 23 -2.028 -2.689 -21.955 1.00 21.11 H new ATOM 383 N PHE A 24 -0.227 -3.969 -19.867 1.00 42.40 N ATOM 384 CA PHE A 24 0.111 -4.153 -18.460 1.00 41.05 C ATOM 385 C PHE A 24 0.039 -2.829 -17.706 1.00 11.23 C ATOM 386 O PHE A 24 0.567 -1.813 -18.159 1.00 75.21 O ATOM 387 CB PHE A 24 1.512 -4.754 -18.325 1.00 75.41 C ATOM 388 CG PHE A 24 1.592 -5.867 -17.319 1.00 55.20 C ATOM 389 CD1 PHE A 24 0.772 -6.979 -17.429 1.00 43.33 C ATOM 390 CD2 PHE A 24 2.486 -5.800 -16.263 1.00 34.14 C ATOM 391 CE1 PHE A 24 0.844 -8.004 -16.505 1.00 74.34 C ATOM 392 CE2 PHE A 24 2.562 -6.823 -15.336 1.00 13.30 C ATOM 393 CZ PHE A 24 1.739 -7.926 -15.457 1.00 11.53 C ATOM 0 H PHE A 24 0.579 -3.897 -20.488 1.00 42.40 H new ATOM 0 HA PHE A 24 -0.615 -4.839 -18.024 1.00 41.05 H new ATOM 0 HB2 PHE A 24 1.833 -5.129 -19.297 1.00 75.41 H new ATOM 0 HB3 PHE A 24 2.211 -3.967 -18.041 1.00 75.41 H new ATOM 0 HD1 PHE A 24 0.069 -7.045 -18.246 1.00 43.33 H new ATOM 0 HD2 PHE A 24 3.131 -4.939 -16.163 1.00 34.14 H new ATOM 0 HE1 PHE A 24 0.200 -8.866 -16.603 1.00 74.34 H new ATOM 0 HE2 PHE A 24 3.264 -6.760 -14.518 1.00 13.30 H new ATOM 0 HZ PHE A 24 1.796 -8.726 -14.733 1.00 11.53 H new ATOM 403 N VAL A 25 -0.619 -2.848 -16.551 1.00 11.12 N ATOM 404 CA VAL A 25 -0.761 -1.650 -15.732 1.00 22.02 C ATOM 405 C VAL A 25 0.475 -1.426 -14.868 1.00 1.33 C ATOM 406 O VAL A 25 0.803 -2.246 -14.011 1.00 62.33 O ATOM 407 CB VAL A 25 -2.001 -1.735 -14.822 1.00 61.43 C ATOM 408 CG1 VAL A 25 -2.142 -0.469 -13.992 1.00 32.14 C ATOM 409 CG2 VAL A 25 -3.253 -1.982 -15.651 1.00 3.21 C ATOM 0 H VAL A 25 -1.062 -3.680 -16.161 1.00 11.12 H new ATOM 0 HA VAL A 25 -0.880 -0.811 -16.417 1.00 22.02 H new ATOM 0 HB VAL A 25 -1.873 -2.575 -14.139 1.00 61.43 H new ATOM 0 HG11 VAL A 25 -3.023 -0.547 -13.356 1.00 32.14 H new ATOM 0 HG12 VAL A 25 -1.256 -0.341 -13.370 1.00 32.14 H new ATOM 0 HG13 VAL A 25 -2.248 0.390 -14.654 1.00 32.14 H new ATOM 0 HG21 VAL A 25 -4.120 -2.039 -14.993 1.00 3.21 H new ATOM 0 HG22 VAL A 25 -3.388 -1.164 -16.358 1.00 3.21 H new ATOM 0 HG23 VAL A 25 -3.149 -2.920 -16.197 1.00 3.21 H new ATOM 419 N MET A 26 1.157 -0.308 -15.098 1.00 73.43 N ATOM 420 CA MET A 26 2.356 0.025 -14.339 1.00 64.02 C ATOM 421 C MET A 26 2.348 1.493 -13.926 1.00 51.32 C ATOM 422 O MET A 26 1.923 2.360 -14.690 1.00 40.22 O ATOM 423 CB MET A 26 3.609 -0.278 -15.164 1.00 55.55 C ATOM 424 CG MET A 26 3.749 -1.744 -15.541 1.00 11.43 C ATOM 425 SD MET A 26 5.423 -2.366 -15.297 1.00 45.01 S ATOM 426 CE MET A 26 6.103 -2.161 -16.941 1.00 44.14 C ATOM 0 H MET A 26 0.899 0.382 -15.804 1.00 73.43 H new ATOM 0 HA MET A 26 2.366 -0.588 -13.438 1.00 64.02 H new ATOM 0 HB2 MET A 26 3.589 0.322 -16.074 1.00 55.55 H new ATOM 0 HB3 MET A 26 4.489 0.029 -14.599 1.00 55.55 H new ATOM 0 HG2 MET A 26 3.055 -2.336 -14.945 1.00 11.43 H new ATOM 0 HG3 MET A 26 3.465 -1.875 -16.585 1.00 11.43 H new ATOM 0 HE1 MET A 26 7.100 -2.600 -16.980 1.00 44.14 H new ATOM 0 HE2 MET A 26 5.459 -2.659 -17.666 1.00 44.14 H new ATOM 0 HE3 MET A 26 6.165 -1.099 -17.179 1.00 44.14 H new ATOM 436 N ASP A 27 2.819 1.765 -12.714 1.00 50.02 N ATOM 437 CA ASP A 27 2.866 3.129 -12.200 1.00 62.03 C ATOM 438 C ASP A 27 4.205 3.785 -12.522 1.00 24.22 C ATOM 439 O ASP A 27 5.264 3.161 -12.445 1.00 42.04 O ATOM 440 CB ASP A 27 2.631 3.136 -10.689 1.00 73.30 C ATOM 441 CG ASP A 27 1.756 4.292 -10.244 1.00 62.55 C ATOM 442 OD1 ASP A 27 2.311 5.349 -9.879 1.00 52.30 O ATOM 443 OD2 ASP A 27 0.517 4.139 -10.263 1.00 21.31 O ATOM 0 H ASP A 27 3.174 1.059 -12.069 1.00 50.02 H new ATOM 0 HA ASP A 27 2.075 3.701 -12.685 1.00 62.03 H new ATOM 0 HB2 ASP A 27 2.165 2.196 -10.392 1.00 73.30 H new ATOM 0 HB3 ASP A 27 3.591 3.192 -10.175 1.00 73.30 H new ATOM 448 N PRO A 28 4.160 5.073 -12.892 1.00 1.34 N ATOM 449 CA PRO A 28 5.361 5.842 -13.233 1.00 31.32 C ATOM 450 C PRO A 28 6.236 6.120 -12.016 1.00 3.23 C ATOM 451 O PRO A 28 7.464 6.128 -12.111 1.00 32.43 O ATOM 452 CB PRO A 28 4.798 7.149 -13.797 1.00 35.44 C ATOM 453 CG PRO A 28 3.451 7.281 -13.172 1.00 43.15 C ATOM 454 CD PRO A 28 2.933 5.880 -13.004 1.00 60.44 C ATOM 0 HA PRO A 28 6.005 5.304 -13.929 1.00 31.32 H new ATOM 0 HB2 PRO A 28 5.436 7.996 -13.546 1.00 35.44 H new ATOM 0 HB3 PRO A 28 4.728 7.114 -14.884 1.00 35.44 H new ATOM 0 HG2 PRO A 28 3.515 7.791 -12.211 1.00 43.15 H new ATOM 0 HG3 PRO A 28 2.785 7.870 -13.802 1.00 43.15 H new ATOM 0 HD2 PRO A 28 2.308 5.787 -12.116 1.00 60.44 H new ATOM 0 HD3 PRO A 28 2.326 5.572 -13.855 1.00 60.44 H new ATOM 462 N ASP A 29 5.598 6.348 -10.873 1.00 52.24 N ATOM 463 CA ASP A 29 6.319 6.626 -9.637 1.00 31.34 C ATOM 464 C ASP A 29 5.353 6.769 -8.465 1.00 12.22 C ATOM 465 O ASP A 29 5.380 7.766 -7.745 1.00 4.55 O ATOM 466 CB ASP A 29 7.155 7.898 -9.783 1.00 61.01 C ATOM 467 CG ASP A 29 8.434 7.847 -8.971 1.00 20.03 C ATOM 468 OD1 ASP A 29 9.502 7.577 -9.560 1.00 54.14 O ATOM 469 OD2 ASP A 29 8.368 8.078 -7.745 1.00 73.34 O ATOM 0 H ASP A 29 4.583 6.346 -10.777 1.00 52.24 H new ATOM 0 HA ASP A 29 6.984 5.786 -9.437 1.00 31.34 H new ATOM 0 HB2 ASP A 29 7.401 8.049 -10.834 1.00 61.01 H new ATOM 0 HB3 ASP A 29 6.562 8.757 -9.468 1.00 61.01 H new ATOM 474 N GLU A 30 4.499 5.767 -8.282 1.00 23.53 N ATOM 475 CA GLU A 30 3.523 5.783 -7.198 1.00 45.13 C ATOM 476 C GLU A 30 2.729 7.086 -7.202 1.00 32.12 C ATOM 477 O GLU A 30 3.104 8.057 -6.545 1.00 45.12 O ATOM 478 CB GLU A 30 4.223 5.603 -5.849 1.00 51.23 C ATOM 479 CG GLU A 30 4.937 4.270 -5.707 1.00 65.23 C ATOM 480 CD GLU A 30 6.169 4.359 -4.827 1.00 31.32 C ATOM 481 OE1 GLU A 30 6.961 5.307 -5.010 1.00 61.30 O ATOM 482 OE2 GLU A 30 6.341 3.481 -3.955 1.00 55.14 O ATOM 0 H GLU A 30 4.463 4.934 -8.870 1.00 23.53 H new ATOM 0 HA GLU A 30 2.831 4.955 -7.353 1.00 45.13 H new ATOM 0 HB2 GLU A 30 4.945 6.408 -5.713 1.00 51.23 H new ATOM 0 HB3 GLU A 30 3.486 5.698 -5.051 1.00 51.23 H new ATOM 0 HG2 GLU A 30 4.248 3.536 -5.288 1.00 65.23 H new ATOM 0 HG3 GLU A 30 5.226 3.910 -6.694 1.00 65.23 H new ATOM 489 N VAL A 31 1.628 7.099 -7.947 1.00 31.33 N ATOM 490 CA VAL A 31 0.779 8.281 -8.036 1.00 61.23 C ATOM 491 C VAL A 31 -0.427 8.162 -7.112 1.00 12.43 C ATOM 492 O VAL A 31 -1.398 8.908 -7.243 1.00 31.03 O ATOM 493 CB VAL A 31 0.287 8.510 -9.478 1.00 11.45 C ATOM 494 CG1 VAL A 31 1.465 8.611 -10.435 1.00 32.43 C ATOM 495 CG2 VAL A 31 -0.661 7.398 -9.900 1.00 41.10 C ATOM 0 H VAL A 31 1.303 6.304 -8.498 1.00 31.33 H new ATOM 0 HA VAL A 31 1.386 9.132 -7.727 1.00 61.23 H new ATOM 0 HB VAL A 31 -0.259 9.453 -9.512 1.00 11.45 H new ATOM 0 HG11 VAL A 31 1.098 8.773 -11.448 1.00 32.43 H new ATOM 0 HG12 VAL A 31 2.101 9.446 -10.142 1.00 32.43 H new ATOM 0 HG13 VAL A 31 2.042 7.687 -10.401 1.00 32.43 H new ATOM 0 HG21 VAL A 31 -0.999 7.576 -10.921 1.00 41.10 H new ATOM 0 HG22 VAL A 31 -0.143 6.440 -9.851 1.00 41.10 H new ATOM 0 HG23 VAL A 31 -1.521 7.380 -9.231 1.00 41.10 H new ATOM 505 N ARG A 32 -0.359 7.221 -6.176 1.00 62.33 N ATOM 506 CA ARG A 32 -1.446 7.004 -5.230 1.00 30.15 C ATOM 507 C ARG A 32 -1.235 7.827 -3.962 1.00 31.42 C ATOM 508 O ARG A 32 -2.195 8.258 -3.323 1.00 0.01 O ATOM 509 CB ARG A 32 -1.554 5.520 -4.875 1.00 63.31 C ATOM 510 CG ARG A 32 -0.390 5.006 -4.043 1.00 42.13 C ATOM 511 CD ARG A 32 -0.608 3.565 -3.610 1.00 11.04 C ATOM 512 NE ARG A 32 -0.509 3.408 -2.161 1.00 10.40 N ATOM 513 CZ ARG A 32 0.630 3.519 -1.486 1.00 72.30 C ATOM 514 NH1 ARG A 32 1.760 3.785 -2.126 1.00 1.34 N ATOM 515 NH2 ARG A 32 0.639 3.363 -0.168 1.00 62.24 N ATOM 0 H ARG A 32 0.438 6.597 -6.053 1.00 62.33 H new ATOM 0 HA ARG A 32 -2.374 7.326 -5.702 1.00 30.15 H new ATOM 0 HB2 ARG A 32 -2.482 5.353 -4.328 1.00 63.31 H new ATOM 0 HB3 ARG A 32 -1.617 4.939 -5.795 1.00 63.31 H new ATOM 0 HG2 ARG A 32 0.531 5.078 -4.621 1.00 42.13 H new ATOM 0 HG3 ARG A 32 -0.264 5.636 -3.163 1.00 42.13 H new ATOM 0 HD2 ARG A 32 -1.590 3.231 -3.945 1.00 11.04 H new ATOM 0 HD3 ARG A 32 0.129 2.925 -4.095 1.00 11.04 H new ATOM 0 HE ARG A 32 -1.361 3.202 -1.639 1.00 10.40 H new ATOM 0 HH11 ARG A 32 1.756 3.905 -3.139 1.00 1.34 H new ATOM 0 HH12 ARG A 32 2.633 3.870 -1.606 1.00 1.34 H new ATOM 0 HH21 ARG A 32 -0.229 3.158 0.327 1.00 62.24 H new ATOM 0 HH22 ARG A 32 1.514 3.448 0.350 1.00 62.24 H new ATOM 529 N ASP A 33 0.026 8.039 -3.604 1.00 4.20 N ATOM 530 CA ASP A 33 0.364 8.810 -2.413 1.00 52.41 C ATOM 531 C ASP A 33 0.861 10.202 -2.790 1.00 44.30 C ATOM 532 O ASP A 33 0.616 11.174 -2.075 1.00 2.31 O ATOM 533 CB ASP A 33 1.427 8.080 -1.591 1.00 41.40 C ATOM 534 CG ASP A 33 1.232 8.263 -0.099 1.00 35.12 C ATOM 535 OD1 ASP A 33 2.221 8.576 0.596 1.00 64.41 O ATOM 536 OD2 ASP A 33 0.088 8.094 0.374 1.00 25.03 O ATOM 0 H ASP A 33 0.832 7.688 -4.121 1.00 4.20 H new ATOM 0 HA ASP A 33 -0.539 8.917 -1.811 1.00 52.41 H new ATOM 0 HB2 ASP A 33 1.400 7.017 -1.830 1.00 41.40 H new ATOM 0 HB3 ASP A 33 2.414 8.445 -1.873 1.00 41.40 H new ATOM 541 N ILE A 34 1.562 10.290 -3.916 1.00 34.02 N ATOM 542 CA ILE A 34 2.093 11.563 -4.387 1.00 24.30 C ATOM 543 C ILE A 34 1.445 11.975 -5.704 1.00 45.33 C ATOM 544 O ILE A 34 1.685 11.363 -6.746 1.00 0.40 O ATOM 545 CB ILE A 34 3.620 11.499 -4.577 1.00 4.24 C ATOM 546 CG1 ILE A 34 4.296 11.017 -3.291 1.00 62.24 C ATOM 547 CG2 ILE A 34 4.160 12.861 -4.986 1.00 43.33 C ATOM 548 CD1 ILE A 34 4.541 9.524 -3.261 1.00 11.41 C ATOM 0 H ILE A 34 1.775 9.495 -4.518 1.00 34.02 H new ATOM 0 HA ILE A 34 1.860 12.305 -3.623 1.00 24.30 H new ATOM 0 HB ILE A 34 3.843 10.787 -5.372 1.00 4.24 H new ATOM 0 HG12 ILE A 34 5.247 11.536 -3.174 1.00 62.24 H new ATOM 0 HG13 ILE A 34 3.675 11.293 -2.438 1.00 62.24 H new ATOM 0 HG21 ILE A 34 5.240 12.800 -5.116 1.00 43.33 H new ATOM 0 HG22 ILE A 34 3.698 13.169 -5.924 1.00 43.33 H new ATOM 0 HG23 ILE A 34 3.929 13.592 -4.211 1.00 43.33 H new ATOM 0 HD11 ILE A 34 5.022 9.253 -2.321 1.00 11.41 H new ATOM 0 HD12 ILE A 34 3.590 8.998 -3.347 1.00 11.41 H new ATOM 0 HD13 ILE A 34 5.187 9.244 -4.093 1.00 11.41 H new ATOM 560 N THR A 35 0.624 13.019 -5.652 1.00 52.12 N ATOM 561 CA THR A 35 -0.059 13.515 -6.841 1.00 24.23 C ATOM 562 C THR A 35 0.563 14.819 -7.328 1.00 62.40 C ATOM 563 O THR A 35 0.341 15.880 -6.745 1.00 1.53 O ATOM 564 CB THR A 35 -1.558 13.743 -6.573 1.00 73.15 C ATOM 565 OG1 THR A 35 -1.797 13.833 -5.164 1.00 44.44 O ATOM 566 CG2 THR A 35 -2.391 12.614 -7.162 1.00 63.02 C ATOM 0 H THR A 35 0.416 13.538 -4.799 1.00 52.12 H new ATOM 0 HA THR A 35 0.053 12.752 -7.612 1.00 24.23 H new ATOM 0 HB THR A 35 -1.851 14.678 -7.051 1.00 73.15 H new ATOM 0 HG1 THR A 35 -2.752 13.980 -5.003 1.00 44.44 H new ATOM 0 HG21 THR A 35 -3.446 12.797 -6.960 1.00 63.02 H new ATOM 0 HG22 THR A 35 -2.230 12.567 -8.239 1.00 63.02 H new ATOM 0 HG23 THR A 35 -2.094 11.668 -6.709 1.00 63.02 H new ATOM 574 N LEU A 36 1.342 14.732 -8.401 1.00 2.34 N ATOM 575 CA LEU A 36 1.996 15.907 -8.968 1.00 22.44 C ATOM 576 C LEU A 36 1.481 16.190 -10.375 1.00 1.40 C ATOM 577 O LEU A 36 1.027 15.296 -11.089 1.00 20.35 O ATOM 578 CB LEU A 36 3.512 15.705 -8.998 1.00 43.50 C ATOM 579 CG LEU A 36 4.006 14.419 -9.661 1.00 35.23 C ATOM 580 CD1 LEU A 36 5.357 14.643 -10.321 1.00 61.41 C ATOM 581 CD2 LEU A 36 4.088 13.292 -8.642 1.00 30.34 C ATOM 0 H LEU A 36 1.536 13.861 -8.895 1.00 2.34 H new ATOM 0 HA LEU A 36 1.762 16.764 -8.336 1.00 22.44 H new ATOM 0 HB2 LEU A 36 3.961 16.552 -9.516 1.00 43.50 H new ATOM 0 HB3 LEU A 36 3.881 15.726 -7.973 1.00 43.50 H new ATOM 0 HG LEU A 36 3.291 14.133 -10.433 1.00 35.23 H new ATOM 0 HD11 LEU A 36 5.692 13.717 -10.787 1.00 61.41 H new ATOM 0 HD12 LEU A 36 5.267 15.420 -11.080 1.00 61.41 H new ATOM 0 HD13 LEU A 36 6.082 14.954 -9.569 1.00 61.41 H new ATOM 0 HD21 LEU A 36 4.441 12.384 -9.131 1.00 30.34 H new ATOM 0 HD22 LEU A 36 4.781 13.569 -7.848 1.00 30.34 H new ATOM 0 HD23 LEU A 36 3.101 13.114 -8.216 1.00 30.34 H new ATOM 593 N PRO A 37 1.554 17.465 -10.786 1.00 62.14 N ATOM 594 CA PRO A 37 1.102 17.896 -12.113 1.00 25.23 C ATOM 595 C PRO A 37 2.006 17.381 -13.228 1.00 52.32 C ATOM 596 O PRO A 37 3.228 17.500 -13.153 1.00 42.22 O ATOM 597 CB PRO A 37 1.170 19.423 -12.032 1.00 31.14 C ATOM 598 CG PRO A 37 2.195 19.702 -10.988 1.00 22.15 C ATOM 599 CD PRO A 37 2.084 18.584 -9.989 1.00 20.55 C ATOM 0 HA PRO A 37 0.110 17.512 -12.351 1.00 25.23 H new ATOM 0 HB2 PRO A 37 1.453 19.858 -12.991 1.00 31.14 H new ATOM 0 HB3 PRO A 37 0.204 19.848 -11.762 1.00 31.14 H new ATOM 0 HG2 PRO A 37 3.194 19.739 -11.422 1.00 22.15 H new ATOM 0 HG3 PRO A 37 2.017 20.667 -10.514 1.00 22.15 H new ATOM 0 HD2 PRO A 37 3.051 18.341 -9.549 1.00 20.55 H new ATOM 0 HD3 PRO A 37 1.416 18.844 -9.168 1.00 20.55 H new ATOM 607 N GLU A 38 1.395 16.810 -14.262 1.00 24.12 N ATOM 608 CA GLU A 38 2.146 16.277 -15.392 1.00 45.14 C ATOM 609 C GLU A 38 1.217 15.952 -16.558 1.00 70.51 C ATOM 610 O GLU A 38 1.283 16.580 -17.613 1.00 44.25 O ATOM 611 CB GLU A 38 2.918 15.023 -14.975 1.00 40.35 C ATOM 612 CG GLU A 38 4.426 15.207 -14.980 1.00 43.12 C ATOM 613 CD GLU A 38 5.164 13.987 -14.463 1.00 42.34 C ATOM 614 OE1 GLU A 38 6.224 14.162 -13.826 1.00 33.25 O ATOM 615 OE2 GLU A 38 4.683 12.859 -14.697 1.00 0.02 O ATOM 0 H GLU A 38 0.383 16.705 -14.340 1.00 24.12 H new ATOM 0 HA GLU A 38 2.854 17.039 -15.716 1.00 45.14 H new ATOM 0 HB2 GLU A 38 2.600 14.726 -13.976 1.00 40.35 H new ATOM 0 HB3 GLU A 38 2.658 14.206 -15.648 1.00 40.35 H new ATOM 0 HG2 GLU A 38 4.758 15.425 -15.995 1.00 43.12 H new ATOM 0 HG3 GLU A 38 4.685 16.070 -14.367 1.00 43.12 H new ATOM 622 N GLY A 39 0.350 14.963 -16.358 1.00 64.03 N ATOM 623 CA GLY A 39 -0.580 14.570 -17.401 1.00 23.25 C ATOM 624 C GLY A 39 -0.634 13.067 -17.592 1.00 51.24 C ATOM 625 O GLY A 39 -1.451 12.562 -18.362 1.00 52.12 O ATOM 0 H GLY A 39 0.275 14.428 -15.493 1.00 64.03 H new ATOM 0 HA2 GLY A 39 -1.576 14.938 -17.153 1.00 23.25 H new ATOM 0 HA3 GLY A 39 -0.290 15.042 -18.339 1.00 23.25 H new ATOM 629 N SER A 40 0.239 12.351 -16.892 1.00 63.31 N ATOM 630 CA SER A 40 0.291 10.897 -16.993 1.00 61.13 C ATOM 631 C SER A 40 0.432 10.261 -15.614 1.00 1.04 C ATOM 632 O SER A 40 1.485 10.349 -14.982 1.00 64.33 O ATOM 633 CB SER A 40 1.457 10.468 -17.887 1.00 34.14 C ATOM 634 OG SER A 40 2.603 11.267 -17.648 1.00 74.34 O ATOM 0 H SER A 40 0.920 12.754 -16.249 1.00 63.31 H new ATOM 0 HA SER A 40 -0.644 10.555 -17.438 1.00 61.13 H new ATOM 0 HB2 SER A 40 1.695 9.420 -17.702 1.00 34.14 H new ATOM 0 HB3 SER A 40 1.165 10.549 -18.934 1.00 34.14 H new ATOM 0 HG SER A 40 2.750 11.347 -16.682 1.00 74.34 H new ATOM 640 N ASP A 41 -0.637 9.621 -15.152 1.00 44.12 N ATOM 641 CA ASP A 41 -0.633 8.969 -13.848 1.00 34.11 C ATOM 642 C ASP A 41 -0.537 7.454 -13.998 1.00 62.12 C ATOM 643 O ASP A 41 0.002 6.767 -13.131 1.00 21.55 O ATOM 644 CB ASP A 41 -1.896 9.337 -13.067 1.00 22.12 C ATOM 645 CG ASP A 41 -3.005 8.319 -13.246 1.00 22.11 C ATOM 646 OD1 ASP A 41 -3.440 7.731 -12.234 1.00 13.05 O ATOM 647 OD2 ASP A 41 -3.438 8.111 -14.398 1.00 61.43 O ATOM 0 H ASP A 41 -1.517 9.540 -15.661 1.00 44.12 H new ATOM 0 HA ASP A 41 0.241 9.318 -13.297 1.00 34.11 H new ATOM 0 HB2 ASP A 41 -1.653 9.422 -12.008 1.00 22.12 H new ATOM 0 HB3 ASP A 41 -2.249 10.315 -13.393 1.00 22.12 H new ATOM 652 N VAL A 42 -1.064 6.939 -15.105 1.00 5.22 N ATOM 653 CA VAL A 42 -1.037 5.506 -15.369 1.00 62.41 C ATOM 654 C VAL A 42 -0.230 5.193 -16.624 1.00 50.14 C ATOM 655 O VAL A 42 -0.334 5.893 -17.631 1.00 41.54 O ATOM 656 CB VAL A 42 -2.459 4.938 -15.532 1.00 55.31 C ATOM 657 CG1 VAL A 42 -2.409 3.448 -15.834 1.00 11.25 C ATOM 658 CG2 VAL A 42 -3.287 5.211 -14.285 1.00 72.32 C ATOM 0 H VAL A 42 -1.515 7.493 -15.833 1.00 5.22 H new ATOM 0 HA VAL A 42 -0.562 5.035 -14.508 1.00 62.41 H new ATOM 0 HB VAL A 42 -2.937 5.438 -16.375 1.00 55.31 H new ATOM 0 HG11 VAL A 42 -3.423 3.065 -15.946 1.00 11.25 H new ATOM 0 HG12 VAL A 42 -1.855 3.282 -16.758 1.00 11.25 H new ATOM 0 HG13 VAL A 42 -1.913 2.927 -15.015 1.00 11.25 H new ATOM 0 HG21 VAL A 42 -4.289 4.803 -14.417 1.00 72.32 H new ATOM 0 HG22 VAL A 42 -2.814 4.739 -13.424 1.00 72.32 H new ATOM 0 HG23 VAL A 42 -3.352 6.286 -14.120 1.00 72.32 H new ATOM 668 N TRP A 43 0.573 4.137 -16.557 1.00 11.50 N ATOM 669 CA TRP A 43 1.398 3.731 -17.689 1.00 51.52 C ATOM 670 C TRP A 43 0.983 2.356 -18.199 1.00 64.31 C ATOM 671 O TRP A 43 1.196 1.345 -17.529 1.00 73.34 O ATOM 672 CB TRP A 43 2.875 3.718 -17.292 1.00 32.04 C ATOM 673 CG TRP A 43 3.772 4.339 -18.319 1.00 22.21 C ATOM 674 CD1 TRP A 43 3.579 4.359 -19.671 1.00 3.32 C ATOM 675 CD2 TRP A 43 5.004 5.027 -18.077 1.00 42.10 C ATOM 676 NE1 TRP A 43 4.617 5.019 -20.284 1.00 22.21 N ATOM 677 CE2 TRP A 43 5.504 5.439 -19.328 1.00 71.11 C ATOM 678 CE3 TRP A 43 5.733 5.337 -16.926 1.00 13.44 C ATOM 679 CZ2 TRP A 43 6.698 6.143 -19.457 1.00 62.31 C ATOM 680 CZ3 TRP A 43 6.918 6.036 -17.055 1.00 61.34 C ATOM 681 CH2 TRP A 43 7.391 6.433 -18.313 1.00 60.12 C ATOM 0 H TRP A 43 0.670 3.547 -15.731 1.00 11.50 H new ATOM 0 HA TRP A 43 1.252 4.454 -18.491 1.00 51.52 H new ATOM 0 HB2 TRP A 43 2.994 4.249 -16.347 1.00 32.04 H new ATOM 0 HB3 TRP A 43 3.189 2.688 -17.121 1.00 32.04 H new ATOM 0 HD1 TRP A 43 2.735 3.921 -20.183 1.00 3.32 H new ATOM 0 HE1 TRP A 43 4.712 5.171 -21.288 1.00 22.21 H new ATOM 0 HE3 TRP A 43 5.376 5.035 -15.952 1.00 13.44 H new ATOM 0 HZ2 TRP A 43 7.064 6.449 -20.426 1.00 62.31 H new ATOM 0 HZ3 TRP A 43 7.489 6.280 -16.172 1.00 61.34 H new ATOM 0 HH2 TRP A 43 8.321 6.978 -18.381 1.00 60.12 H new ATOM 692 N VAL A 44 0.391 2.324 -19.389 1.00 22.22 N ATOM 693 CA VAL A 44 -0.052 1.071 -19.989 1.00 1.11 C ATOM 694 C VAL A 44 0.966 0.556 -21.000 1.00 24.55 C ATOM 695 O VAL A 44 1.171 1.159 -22.053 1.00 53.25 O ATOM 696 CB VAL A 44 -1.415 1.235 -20.688 1.00 22.44 C ATOM 697 CG1 VAL A 44 -1.908 -0.104 -21.215 1.00 54.13 C ATOM 698 CG2 VAL A 44 -2.430 1.849 -19.736 1.00 53.34 C ATOM 0 H VAL A 44 0.207 3.151 -19.956 1.00 22.22 H new ATOM 0 HA VAL A 44 -0.152 0.349 -19.178 1.00 1.11 H new ATOM 0 HB VAL A 44 -1.292 1.909 -21.536 1.00 22.44 H new ATOM 0 HG11 VAL A 44 -2.872 0.031 -21.706 1.00 54.13 H new ATOM 0 HG12 VAL A 44 -1.188 -0.500 -21.931 1.00 54.13 H new ATOM 0 HG13 VAL A 44 -2.017 -0.803 -20.386 1.00 54.13 H new ATOM 0 HG21 VAL A 44 -3.387 1.958 -20.246 1.00 53.34 H new ATOM 0 HG22 VAL A 44 -2.553 1.201 -18.868 1.00 53.34 H new ATOM 0 HG23 VAL A 44 -2.078 2.828 -19.411 1.00 53.34 H new ATOM 708 N CYS A 45 1.602 -0.564 -20.672 1.00 2.32 N ATOM 709 CA CYS A 45 2.601 -1.162 -21.551 1.00 53.52 C ATOM 710 C CYS A 45 1.991 -2.287 -22.380 1.00 31.40 C ATOM 711 O CYS A 45 1.857 -3.417 -21.908 1.00 11.15 O ATOM 712 CB CYS A 45 3.778 -1.694 -20.733 1.00 32.11 C ATOM 713 SG CYS A 45 4.419 -0.523 -19.514 1.00 45.10 S ATOM 0 H CYS A 45 1.444 -1.076 -19.804 1.00 2.32 H new ATOM 0 HA CYS A 45 2.961 -0.389 -22.230 1.00 53.52 H new ATOM 0 HB2 CYS A 45 3.468 -2.604 -20.219 1.00 32.11 H new ATOM 0 HB3 CYS A 45 4.583 -1.971 -21.413 1.00 32.11 H new ATOM 0 HG CYS A 45 5.689 -0.734 -19.335 1.00 45.10 H new ATOM 719 N CYS A 46 1.622 -1.972 -23.616 1.00 40.43 N ATOM 720 CA CYS A 46 1.024 -2.956 -24.511 1.00 34.33 C ATOM 721 C CYS A 46 2.080 -3.916 -25.048 1.00 23.23 C ATOM 722 O CYS A 46 3.276 -3.735 -24.812 1.00 72.35 O ATOM 723 CB CYS A 46 0.315 -2.257 -25.672 1.00 20.32 C ATOM 724 SG CYS A 46 -1.080 -1.222 -25.170 1.00 22.14 S ATOM 0 H CYS A 46 1.726 -1.042 -24.022 1.00 40.43 H new ATOM 0 HA CYS A 46 0.293 -3.530 -23.942 1.00 34.33 H new ATOM 0 HB2 CYS A 46 1.038 -1.640 -26.206 1.00 20.32 H new ATOM 0 HB3 CYS A 46 -0.040 -3.012 -26.374 1.00 20.32 H new ATOM 0 HG CYS A 46 -1.613 -0.672 -26.221 1.00 22.14 H new ATOM 730 N LEU A 47 1.632 -4.938 -25.768 1.00 60.05 N ATOM 731 CA LEU A 47 2.539 -5.929 -26.338 1.00 51.42 C ATOM 732 C LEU A 47 3.407 -5.309 -27.429 1.00 13.13 C ATOM 733 O LEU A 47 3.079 -4.269 -28.001 1.00 71.54 O ATOM 734 CB LEU A 47 1.746 -7.106 -26.909 1.00 23.03 C ATOM 735 CG LEU A 47 1.470 -7.063 -28.412 1.00 34.31 C ATOM 736 CD1 LEU A 47 0.736 -8.319 -28.855 1.00 73.35 C ATOM 737 CD2 LEU A 47 0.669 -5.820 -28.772 1.00 31.42 C ATOM 0 H LEU A 47 0.646 -5.103 -25.971 1.00 60.05 H new ATOM 0 HA LEU A 47 3.190 -6.290 -25.542 1.00 51.42 H new ATOM 0 HB2 LEU A 47 2.287 -8.025 -26.685 1.00 23.03 H new ATOM 0 HB3 LEU A 47 0.791 -7.163 -26.386 1.00 23.03 H new ATOM 0 HG LEU A 47 2.424 -7.020 -28.937 1.00 34.31 H new ATOM 0 HD11 LEU A 47 0.548 -8.271 -29.928 1.00 73.35 H new ATOM 0 HD12 LEU A 47 1.346 -9.195 -28.632 1.00 73.35 H new ATOM 0 HD13 LEU A 47 -0.213 -8.393 -28.323 1.00 73.35 H new ATOM 0 HD21 LEU A 47 0.482 -5.806 -29.846 1.00 31.42 H new ATOM 0 HD22 LEU A 47 -0.281 -5.832 -28.238 1.00 31.42 H new ATOM 0 HD23 LEU A 47 1.232 -4.930 -28.490 1.00 31.42 H new ATOM 749 N PRO A 48 4.540 -5.962 -27.726 1.00 2.33 N ATOM 750 CA PRO A 48 5.477 -5.494 -28.752 1.00 23.54 C ATOM 751 C PRO A 48 4.912 -5.635 -30.161 1.00 34.23 C ATOM 752 O PRO A 48 4.781 -6.744 -30.679 1.00 63.05 O ATOM 753 CB PRO A 48 6.690 -6.411 -28.568 1.00 53.32 C ATOM 754 CG PRO A 48 6.138 -7.650 -27.952 1.00 44.11 C ATOM 755 CD PRO A 48 4.994 -7.207 -27.083 1.00 40.52 C ATOM 0 HA PRO A 48 5.705 -4.434 -28.643 1.00 23.54 H new ATOM 0 HB2 PRO A 48 7.173 -6.624 -29.521 1.00 53.32 H new ATOM 0 HB3 PRO A 48 7.441 -5.950 -27.926 1.00 53.32 H new ATOM 0 HG2 PRO A 48 5.799 -8.348 -28.717 1.00 44.11 H new ATOM 0 HG3 PRO A 48 6.898 -8.165 -27.364 1.00 44.11 H new ATOM 0 HD2 PRO A 48 4.201 -7.955 -27.050 1.00 40.52 H new ATOM 0 HD3 PRO A 48 5.313 -7.035 -26.055 1.00 40.52 H new ATOM 763 N ARG A 49 4.578 -4.505 -30.775 1.00 14.12 N ATOM 764 CA ARG A 49 4.025 -4.503 -32.124 1.00 41.00 C ATOM 765 C ARG A 49 4.216 -3.142 -32.788 1.00 24.42 C ATOM 766 O ARG A 49 4.423 -3.055 -33.998 1.00 51.34 O ATOM 767 CB ARG A 49 2.538 -4.861 -32.090 1.00 23.13 C ATOM 768 CG ARG A 49 1.663 -3.771 -31.494 1.00 12.12 C ATOM 769 CD ARG A 49 1.108 -2.851 -32.570 1.00 61.23 C ATOM 770 NE ARG A 49 -0.277 -2.471 -32.305 1.00 61.23 N ATOM 771 CZ ARG A 49 -1.319 -3.243 -32.593 1.00 63.40 C ATOM 772 NH1 ARG A 49 -1.133 -4.432 -33.152 1.00 13.54 N ATOM 773 NH2 ARG A 49 -2.549 -2.828 -32.322 1.00 13.25 N ATOM 0 H ARG A 49 4.681 -3.579 -30.360 1.00 14.12 H new ATOM 0 HA ARG A 49 4.559 -5.252 -32.709 1.00 41.00 H new ATOM 0 HB2 ARG A 49 2.200 -5.072 -33.105 1.00 23.13 H new ATOM 0 HB3 ARG A 49 2.406 -5.777 -31.513 1.00 23.13 H new ATOM 0 HG2 ARG A 49 0.840 -4.225 -30.942 1.00 12.12 H new ATOM 0 HG3 ARG A 49 2.243 -3.188 -30.779 1.00 12.12 H new ATOM 0 HD2 ARG A 49 1.724 -1.954 -32.633 1.00 61.23 H new ATOM 0 HD3 ARG A 49 1.169 -3.348 -33.538 1.00 61.23 H new ATOM 0 HE ARG A 49 -0.454 -1.563 -31.875 1.00 61.23 H new ATOM 0 HH11 ARG A 49 -0.188 -4.755 -33.361 1.00 13.54 H new ATOM 0 HH12 ARG A 49 -1.935 -5.023 -33.372 1.00 13.54 H new ATOM 0 HH21 ARG A 49 -2.696 -1.915 -31.892 1.00 13.25 H new ATOM 0 HH22 ARG A 49 -3.348 -3.422 -32.544 1.00 13.25 H new ATOM 787 N ASP A 50 4.146 -2.084 -31.988 1.00 34.54 N ATOM 788 CA ASP A 50 4.311 -0.728 -32.497 1.00 24.11 C ATOM 789 C ASP A 50 5.621 -0.119 -32.005 1.00 34.13 C ATOM 790 O ASP A 50 5.835 1.088 -32.115 1.00 24.00 O ATOM 791 CB ASP A 50 3.134 0.148 -32.068 1.00 13.35 C ATOM 792 CG ASP A 50 2.360 0.699 -33.250 1.00 23.44 C ATOM 793 OD1 ASP A 50 3.003 1.150 -34.221 1.00 14.41 O ATOM 794 OD2 ASP A 50 1.113 0.677 -33.204 1.00 33.40 O ATOM 0 H ASP A 50 3.976 -2.139 -30.984 1.00 34.54 H new ATOM 0 HA ASP A 50 4.339 -0.776 -33.586 1.00 24.11 H new ATOM 0 HB2 ASP A 50 2.462 -0.435 -31.438 1.00 13.35 H new ATOM 0 HB3 ASP A 50 3.503 0.975 -31.462 1.00 13.35 H new ATOM 799 N SER A 51 6.492 -0.962 -31.461 1.00 20.44 N ATOM 800 CA SER A 51 7.778 -0.507 -30.947 1.00 3.42 C ATOM 801 C SER A 51 7.594 0.322 -29.679 1.00 62.10 C ATOM 802 O SER A 51 7.898 1.515 -29.653 1.00 45.34 O ATOM 803 CB SER A 51 8.511 0.318 -32.007 1.00 4.14 C ATOM 804 OG SER A 51 9.911 0.307 -31.783 1.00 72.04 O ATOM 0 H SER A 51 6.330 -1.965 -31.365 1.00 20.44 H new ATOM 0 HA SER A 51 8.375 -1.385 -30.702 1.00 3.42 H new ATOM 0 HB2 SER A 51 8.295 -0.082 -32.998 1.00 4.14 H new ATOM 0 HB3 SER A 51 8.145 1.345 -31.991 1.00 4.14 H new ATOM 0 HG SER A 51 10.357 0.840 -32.474 1.00 72.04 H new ATOM 810 N LEU A 52 7.094 -0.319 -28.629 1.00 31.14 N ATOM 811 CA LEU A 52 6.868 0.357 -27.356 1.00 3.12 C ATOM 812 C LEU A 52 5.771 1.409 -27.485 1.00 22.11 C ATOM 813 O LEU A 52 6.049 2.606 -27.568 1.00 24.31 O ATOM 814 CB LEU A 52 8.162 1.010 -26.867 1.00 0.44 C ATOM 815 CG LEU A 52 9.449 0.224 -27.119 1.00 75.43 C ATOM 816 CD1 LEU A 52 10.643 0.946 -26.517 1.00 3.41 C ATOM 817 CD2 LEU A 52 9.333 -1.184 -26.552 1.00 50.24 C ATOM 0 H LEU A 52 6.837 -1.306 -28.634 1.00 31.14 H new ATOM 0 HA LEU A 52 6.547 -0.388 -26.629 1.00 3.12 H new ATOM 0 HB2 LEU A 52 8.256 1.985 -27.345 1.00 0.44 H new ATOM 0 HB3 LEU A 52 8.073 1.188 -25.795 1.00 0.44 H new ATOM 0 HG LEU A 52 9.602 0.150 -28.196 1.00 75.43 H new ATOM 0 HD11 LEU A 52 11.549 0.371 -26.707 1.00 3.41 H new ATOM 0 HD12 LEU A 52 10.738 1.933 -26.970 1.00 3.41 H new ATOM 0 HD13 LEU A 52 10.499 1.053 -25.442 1.00 3.41 H new ATOM 0 HD21 LEU A 52 10.258 -1.729 -26.740 1.00 50.24 H new ATOM 0 HD22 LEU A 52 9.156 -1.130 -25.478 1.00 50.24 H new ATOM 0 HD23 LEU A 52 8.502 -1.702 -27.031 1.00 50.24 H new ATOM 829 N THR A 53 4.522 0.955 -27.499 1.00 73.12 N ATOM 830 CA THR A 53 3.382 1.856 -27.617 1.00 4.01 C ATOM 831 C THR A 53 2.827 2.222 -26.245 1.00 40.23 C ATOM 832 O THR A 53 1.614 2.336 -26.065 1.00 73.35 O ATOM 833 CB THR A 53 2.257 1.232 -28.464 1.00 24.43 C ATOM 834 OG1 THR A 53 2.765 0.119 -29.209 1.00 11.02 O ATOM 835 CG2 THR A 53 1.664 2.258 -29.417 1.00 12.24 C ATOM 0 H THR A 53 4.274 -0.032 -27.430 1.00 73.12 H new ATOM 0 HA THR A 53 3.742 2.757 -28.113 1.00 4.01 H new ATOM 0 HB THR A 53 1.472 0.890 -27.790 1.00 24.43 H new ATOM 0 HG1 THR A 53 2.104 -0.604 -29.209 1.00 11.02 H new ATOM 0 HG21 THR A 53 0.872 1.794 -30.004 1.00 12.24 H new ATOM 0 HG22 THR A 53 1.252 3.090 -28.846 1.00 12.24 H new ATOM 0 HG23 THR A 53 2.442 2.627 -30.085 1.00 12.24 H new ATOM 843 N LEU A 54 3.721 2.407 -25.280 1.00 61.43 N ATOM 844 CA LEU A 54 3.320 2.761 -23.923 1.00 41.43 C ATOM 845 C LEU A 54 2.416 3.990 -23.926 1.00 62.02 C ATOM 846 O LEU A 54 2.799 5.054 -24.413 1.00 23.31 O ATOM 847 CB LEU A 54 4.554 3.024 -23.058 1.00 32.21 C ATOM 848 CG LEU A 54 5.426 1.807 -22.746 1.00 41.32 C ATOM 849 CD1 LEU A 54 6.561 1.692 -23.752 1.00 52.12 C ATOM 850 CD2 LEU A 54 5.974 1.893 -21.329 1.00 41.01 C ATOM 0 H LEU A 54 4.728 2.318 -25.412 1.00 61.43 H new ATOM 0 HA LEU A 54 2.762 1.923 -23.505 1.00 41.43 H new ATOM 0 HB2 LEU A 54 5.172 3.770 -23.558 1.00 32.21 H new ATOM 0 HB3 LEU A 54 4.226 3.462 -22.115 1.00 32.21 H new ATOM 0 HG LEU A 54 4.808 0.912 -22.822 1.00 41.32 H new ATOM 0 HD11 LEU A 54 7.171 0.820 -23.514 1.00 52.12 H new ATOM 0 HD12 LEU A 54 6.149 1.584 -24.755 1.00 52.12 H new ATOM 0 HD13 LEU A 54 7.178 2.589 -23.709 1.00 52.12 H new ATOM 0 HD21 LEU A 54 6.592 1.019 -21.124 1.00 41.01 H new ATOM 0 HD22 LEU A 54 6.576 2.796 -21.226 1.00 41.01 H new ATOM 0 HD23 LEU A 54 5.147 1.926 -20.620 1.00 41.01 H new ATOM 862 N SER A 55 1.215 3.836 -23.378 1.00 2.12 N ATOM 863 CA SER A 55 0.256 4.933 -23.318 1.00 73.44 C ATOM 864 C SER A 55 0.159 5.494 -21.903 1.00 70.20 C ATOM 865 O SER A 55 -0.209 4.785 -20.966 1.00 43.25 O ATOM 866 CB SER A 55 -1.122 4.459 -23.787 1.00 24.03 C ATOM 867 OG SER A 55 -1.785 5.471 -24.525 1.00 20.52 O ATOM 0 H SER A 55 0.883 2.962 -22.969 1.00 2.12 H new ATOM 0 HA SER A 55 0.605 5.725 -23.980 1.00 73.44 H new ATOM 0 HB2 SER A 55 -1.013 3.567 -24.404 1.00 24.03 H new ATOM 0 HB3 SER A 55 -1.726 4.178 -22.925 1.00 24.03 H new ATOM 0 HG SER A 55 -2.662 5.143 -24.815 1.00 20.52 H new ATOM 873 N ALA A 56 0.492 6.772 -21.756 1.00 60.11 N ATOM 874 CA ALA A 56 0.441 7.430 -20.456 1.00 42.05 C ATOM 875 C ALA A 56 -0.689 8.452 -20.402 1.00 74.24 C ATOM 876 O ALA A 56 -0.862 9.250 -21.323 1.00 72.42 O ATOM 877 CB ALA A 56 1.774 8.098 -20.151 1.00 33.24 C ATOM 0 H ALA A 56 0.800 7.372 -22.521 1.00 60.11 H new ATOM 0 HA ALA A 56 0.245 6.671 -19.699 1.00 42.05 H new ATOM 0 HB1 ALA A 56 1.722 8.586 -19.178 1.00 33.24 H new ATOM 0 HB2 ALA A 56 2.563 7.346 -20.139 1.00 33.24 H new ATOM 0 HB3 ALA A 56 1.992 8.841 -20.918 1.00 33.24 H new ATOM 883 N ALA A 57 -1.457 8.421 -19.318 1.00 52.10 N ATOM 884 CA ALA A 57 -2.571 9.346 -19.144 1.00 25.42 C ATOM 885 C ALA A 57 -2.896 9.541 -17.667 1.00 4.32 C ATOM 886 O ALA A 57 -2.838 8.598 -16.879 1.00 12.41 O ATOM 887 CB ALA A 57 -3.796 8.844 -19.894 1.00 25.22 C ATOM 0 H ALA A 57 -1.329 7.766 -18.547 1.00 52.10 H new ATOM 0 HA ALA A 57 -2.277 10.312 -19.556 1.00 25.42 H new ATOM 0 HB1 ALA A 57 -4.620 9.544 -19.755 1.00 25.22 H new ATOM 0 HB2 ALA A 57 -3.564 8.762 -20.956 1.00 25.22 H new ATOM 0 HB3 ALA A 57 -4.083 7.865 -19.509 1.00 25.22 H new ATOM 893 N ASN A 58 -3.236 10.772 -17.299 1.00 12.23 N ATOM 894 CA ASN A 58 -3.569 11.092 -15.915 1.00 72.42 C ATOM 895 C ASN A 58 -5.026 11.529 -15.793 1.00 61.53 C ATOM 896 O ASN A 58 -5.382 12.647 -16.163 1.00 51.31 O ATOM 897 CB ASN A 58 -2.649 12.194 -15.389 1.00 5.32 C ATOM 898 CG ASN A 58 -2.999 12.613 -13.974 1.00 4.31 C ATOM 899 OD1 ASN A 58 -3.819 11.978 -13.312 1.00 30.14 O ATOM 900 ND2 ASN A 58 -2.376 13.688 -13.504 1.00 53.33 N ATOM 0 H ASN A 58 -3.288 11.564 -17.939 1.00 12.23 H new ATOM 0 HA ASN A 58 -3.427 10.193 -15.316 1.00 72.42 H new ATOM 0 HB2 ASN A 58 -1.617 11.846 -15.417 1.00 5.32 H new ATOM 0 HB3 ASN A 58 -2.711 13.060 -16.047 1.00 5.32 H new ATOM 0 HD21 ASN A 58 -2.570 14.018 -12.558 1.00 53.33 H new ATOM 0 HD22 ASN A 58 -1.703 14.184 -14.089 1.00 53.33 H new ATOM 907 N SER A 59 -5.863 10.638 -15.272 1.00 35.04 N ATOM 908 CA SER A 59 -7.282 10.930 -15.103 1.00 72.14 C ATOM 909 C SER A 59 -7.900 11.400 -16.417 1.00 64.21 C ATOM 910 O SER A 59 -8.823 12.213 -16.425 1.00 2.32 O ATOM 911 CB SER A 59 -7.481 11.995 -14.024 1.00 1.34 C ATOM 912 OG SER A 59 -6.595 11.791 -12.936 1.00 74.33 O ATOM 0 H SER A 59 -5.584 9.708 -14.960 1.00 35.04 H new ATOM 0 HA SER A 59 -7.782 10.012 -14.794 1.00 72.14 H new ATOM 0 HB2 SER A 59 -7.316 12.984 -14.451 1.00 1.34 H new ATOM 0 HB3 SER A 59 -8.511 11.969 -13.668 1.00 1.34 H new ATOM 0 HG SER A 59 -5.674 11.954 -13.229 1.00 74.33 H new ATOM 918 N GLU A 60 -7.382 10.881 -17.526 1.00 62.21 N ATOM 919 CA GLU A 60 -7.881 11.248 -18.846 1.00 34.20 C ATOM 920 C GLU A 60 -8.466 10.034 -19.563 1.00 55.50 C ATOM 921 O GLU A 60 -9.357 10.166 -20.403 1.00 11.12 O ATOM 922 CB GLU A 60 -6.760 11.860 -19.688 1.00 71.11 C ATOM 923 CG GLU A 60 -7.230 12.395 -21.030 1.00 42.33 C ATOM 924 CD GLU A 60 -6.750 13.809 -21.295 1.00 3.12 C ATOM 925 OE1 GLU A 60 -5.542 14.069 -21.112 1.00 63.32 O ATOM 926 OE2 GLU A 60 -7.581 14.656 -21.684 1.00 31.41 O ATOM 0 H GLU A 60 -6.618 10.206 -17.536 1.00 62.21 H new ATOM 0 HA GLU A 60 -8.671 11.987 -18.715 1.00 34.20 H new ATOM 0 HB2 GLU A 60 -6.296 12.670 -19.126 1.00 71.11 H new ATOM 0 HB3 GLU A 60 -5.990 11.107 -19.856 1.00 71.11 H new ATOM 0 HG2 GLU A 60 -6.872 11.739 -21.824 1.00 42.33 H new ATOM 0 HG3 GLU A 60 -8.319 12.373 -21.065 1.00 42.33 H new ATOM 933 N ASP A 61 -7.959 8.854 -19.226 1.00 1.11 N ATOM 934 CA ASP A 61 -8.431 7.616 -19.836 1.00 45.53 C ATOM 935 C ASP A 61 -9.696 7.118 -19.146 1.00 54.11 C ATOM 936 O ASP A 61 -9.647 6.626 -18.019 1.00 51.14 O ATOM 937 CB ASP A 61 -7.343 6.543 -19.770 1.00 44.44 C ATOM 938 CG ASP A 61 -7.747 5.264 -20.477 1.00 14.53 C ATOM 939 OD1 ASP A 61 -7.109 4.220 -20.226 1.00 14.30 O ATOM 940 OD2 ASP A 61 -8.703 5.307 -21.280 1.00 3.54 O ATOM 0 H ASP A 61 -7.221 8.728 -18.533 1.00 1.11 H new ATOM 0 HA ASP A 61 -8.666 7.821 -20.881 1.00 45.53 H new ATOM 0 HB2 ASP A 61 -6.428 6.929 -20.219 1.00 44.44 H new ATOM 0 HB3 ASP A 61 -7.117 6.322 -18.727 1.00 44.44 H new ATOM 945 N GLU A 62 -10.829 7.251 -19.830 1.00 64.51 N ATOM 946 CA GLU A 62 -12.107 6.815 -19.281 1.00 14.11 C ATOM 947 C GLU A 62 -12.987 6.204 -20.368 1.00 43.22 C ATOM 948 O GLU A 62 -14.173 5.957 -20.156 1.00 51.04 O ATOM 949 CB GLU A 62 -12.833 7.991 -18.624 1.00 43.42 C ATOM 950 CG GLU A 62 -13.275 9.060 -19.609 1.00 53.23 C ATOM 951 CD GLU A 62 -14.213 10.076 -18.986 1.00 75.51 C ATOM 952 OE1 GLU A 62 -15.199 10.458 -19.651 1.00 71.11 O ATOM 953 OE2 GLU A 62 -13.962 10.488 -17.835 1.00 34.34 O ATOM 0 H GLU A 62 -10.887 7.657 -20.764 1.00 64.51 H new ATOM 0 HA GLU A 62 -11.908 6.053 -18.528 1.00 14.11 H new ATOM 0 HB2 GLU A 62 -13.707 7.616 -18.091 1.00 43.42 H new ATOM 0 HB3 GLU A 62 -12.176 8.443 -17.881 1.00 43.42 H new ATOM 0 HG2 GLU A 62 -12.397 9.574 -20.000 1.00 53.23 H new ATOM 0 HG3 GLU A 62 -13.770 8.586 -20.456 1.00 53.23 H new ATOM 960 N GLY A 63 -12.395 5.964 -21.534 1.00 62.34 N ATOM 961 CA GLY A 63 -13.138 5.385 -22.638 1.00 71.31 C ATOM 962 C GLY A 63 -13.652 3.994 -22.324 1.00 75.24 C ATOM 963 O GLY A 63 -14.652 3.839 -21.624 1.00 33.11 O ATOM 0 H GLY A 63 -11.414 6.160 -21.734 1.00 62.34 H new ATOM 0 HA2 GLY A 63 -13.979 6.033 -22.885 1.00 71.31 H new ATOM 0 HA3 GLY A 63 -12.499 5.342 -23.520 1.00 71.31 H new ATOM 967 N GLN A 64 -12.969 2.980 -22.845 1.00 44.24 N ATOM 968 CA GLN A 64 -13.364 1.595 -22.618 1.00 54.34 C ATOM 969 C GLN A 64 -12.185 0.767 -22.119 1.00 14.15 C ATOM 970 O GLN A 64 -11.136 0.714 -22.760 1.00 62.42 O ATOM 971 CB GLN A 64 -13.923 0.985 -23.905 1.00 63.11 C ATOM 972 CG GLN A 64 -15.418 1.198 -24.081 1.00 45.30 C ATOM 973 CD GLN A 64 -15.755 1.938 -25.360 1.00 42.34 C ATOM 974 OE1 GLN A 64 -14.980 2.772 -25.832 1.00 34.42 O ATOM 975 NE2 GLN A 64 -16.916 1.637 -25.930 1.00 42.22 N ATOM 0 H GLN A 64 -12.139 3.092 -23.427 1.00 44.24 H new ATOM 0 HA GLN A 64 -14.140 1.586 -21.853 1.00 54.34 H new ATOM 0 HB2 GLN A 64 -13.400 1.417 -24.759 1.00 63.11 H new ATOM 0 HB3 GLN A 64 -13.714 -0.085 -23.911 1.00 63.11 H new ATOM 0 HG2 GLN A 64 -15.921 0.231 -24.082 1.00 45.30 H new ATOM 0 HG3 GLN A 64 -15.804 1.758 -23.229 1.00 45.30 H new ATOM 0 HE21 GLN A 64 -17.527 0.940 -25.505 1.00 42.22 H new ATOM 0 HE22 GLN A 64 -17.196 2.103 -26.793 1.00 42.22 H new ATOM 984 N ILE A 65 -12.366 0.123 -20.970 1.00 44.42 N ATOM 985 CA ILE A 65 -11.317 -0.703 -20.385 1.00 43.52 C ATOM 986 C ILE A 65 -11.893 -1.982 -19.789 1.00 30.22 C ATOM 987 O ILE A 65 -12.985 -1.977 -19.220 1.00 62.10 O ATOM 988 CB ILE A 65 -10.545 0.059 -19.291 1.00 34.42 C ATOM 989 CG1 ILE A 65 -9.484 -0.846 -18.662 1.00 5.11 C ATOM 990 CG2 ILE A 65 -11.505 0.576 -18.229 1.00 64.22 C ATOM 991 CD1 ILE A 65 -8.196 -0.125 -18.328 1.00 14.20 C ATOM 0 H ILE A 65 -13.229 0.158 -20.427 1.00 44.42 H new ATOM 0 HA ILE A 65 -10.630 -0.959 -21.191 1.00 43.52 H new ATOM 0 HB ILE A 65 -10.044 0.913 -19.747 1.00 34.42 H new ATOM 0 HG12 ILE A 65 -9.889 -1.289 -17.752 1.00 5.11 H new ATOM 0 HG13 ILE A 65 -9.265 -1.666 -19.346 1.00 5.11 H new ATOM 0 HG21 ILE A 65 -10.945 1.112 -17.463 1.00 64.22 H new ATOM 0 HG22 ILE A 65 -12.228 1.250 -18.689 1.00 64.22 H new ATOM 0 HG23 ILE A 65 -12.030 -0.264 -17.774 1.00 64.22 H new ATOM 0 HD11 ILE A 65 -7.490 -0.828 -17.886 1.00 14.20 H new ATOM 0 HD12 ILE A 65 -7.768 0.295 -19.238 1.00 14.20 H new ATOM 0 HD13 ILE A 65 -8.401 0.677 -17.619 1.00 14.20 H new ATOM 1003 N ARG A 66 -11.151 -3.077 -19.921 1.00 40.34 N ATOM 1004 CA ARG A 66 -11.588 -4.364 -19.395 1.00 62.20 C ATOM 1005 C ARG A 66 -10.524 -4.967 -18.482 1.00 72.52 C ATOM 1006 O ARG A 66 -9.329 -4.731 -18.663 1.00 75.45 O ATOM 1007 CB ARG A 66 -11.898 -5.329 -20.541 1.00 13.10 C ATOM 1008 CG ARG A 66 -13.386 -5.526 -20.785 1.00 25.32 C ATOM 1009 CD ARG A 66 -14.056 -6.217 -19.608 1.00 12.14 C ATOM 1010 NE ARG A 66 -13.444 -7.509 -19.309 1.00 43.43 N ATOM 1011 CZ ARG A 66 -13.688 -8.200 -18.201 1.00 51.45 C ATOM 1012 NH1 ARG A 66 -14.528 -7.725 -17.292 1.00 73.21 N ATOM 1013 NH2 ARG A 66 -13.092 -9.368 -18.002 1.00 21.13 N ATOM 0 H ARG A 66 -10.244 -3.098 -20.388 1.00 40.34 H new ATOM 0 HA ARG A 66 -12.494 -4.201 -18.811 1.00 62.20 H new ATOM 0 HB2 ARG A 66 -11.435 -4.956 -21.454 1.00 13.10 H new ATOM 0 HB3 ARG A 66 -11.443 -6.295 -20.324 1.00 13.10 H new ATOM 0 HG2 ARG A 66 -13.859 -4.559 -20.958 1.00 25.32 H new ATOM 0 HG3 ARG A 66 -13.533 -6.119 -21.688 1.00 25.32 H new ATOM 0 HD2 ARG A 66 -13.995 -5.575 -18.729 1.00 12.14 H new ATOM 0 HD3 ARG A 66 -15.114 -6.359 -19.826 1.00 12.14 H new ATOM 0 HE ARG A 66 -12.793 -7.903 -19.989 1.00 43.43 H new ATOM 0 HH11 ARG A 66 -14.988 -6.827 -17.443 1.00 73.21 H new ATOM 0 HH12 ARG A 66 -14.714 -8.257 -16.442 1.00 73.21 H new ATOM 0 HH21 ARG A 66 -12.446 -9.736 -18.700 1.00 21.13 H new ATOM 0 HH22 ARG A 66 -13.280 -9.898 -17.151 1.00 21.13 H new ATOM 1027 N TYR A 67 -10.967 -5.746 -17.501 1.00 63.23 N ATOM 1028 CA TYR A 67 -10.054 -6.381 -16.558 1.00 44.12 C ATOM 1029 C TYR A 67 -9.666 -7.779 -17.032 1.00 12.54 C ATOM 1030 O TYR A 67 -10.504 -8.678 -17.100 1.00 52.15 O ATOM 1031 CB TYR A 67 -10.693 -6.459 -15.171 1.00 30.11 C ATOM 1032 CG TYR A 67 -11.330 -5.163 -14.724 1.00 3.34 C ATOM 1033 CD1 TYR A 67 -12.671 -4.902 -14.976 1.00 11.33 C ATOM 1034 CD2 TYR A 67 -10.590 -4.199 -14.050 1.00 52.51 C ATOM 1035 CE1 TYR A 67 -13.257 -3.718 -14.570 1.00 31.44 C ATOM 1036 CE2 TYR A 67 -11.168 -3.013 -13.639 1.00 72.10 C ATOM 1037 CZ TYR A 67 -12.502 -2.778 -13.901 1.00 43.43 C ATOM 1038 OH TYR A 67 -13.081 -1.597 -13.495 1.00 22.43 O ATOM 0 H TYR A 67 -11.952 -5.953 -17.338 1.00 63.23 H new ATOM 0 HA TYR A 67 -9.151 -5.773 -16.501 1.00 44.12 H new ATOM 0 HB2 TYR A 67 -11.449 -7.244 -15.172 1.00 30.11 H new ATOM 0 HB3 TYR A 67 -9.933 -6.750 -14.446 1.00 30.11 H new ATOM 0 HD1 TYR A 67 -13.266 -5.637 -15.498 1.00 11.33 H new ATOM 0 HD2 TYR A 67 -9.545 -4.380 -13.844 1.00 52.51 H new ATOM 0 HE1 TYR A 67 -14.300 -3.530 -14.776 1.00 31.44 H new ATOM 0 HE2 TYR A 67 -10.579 -2.274 -13.116 1.00 72.10 H new ATOM 0 HH TYR A 67 -12.413 -1.045 -13.037 1.00 22.43 H new ATOM 1048 N PHE A 68 -8.390 -7.953 -17.356 1.00 65.44 N ATOM 1049 CA PHE A 68 -7.889 -9.241 -17.824 1.00 0.22 C ATOM 1050 C PHE A 68 -7.111 -9.955 -16.722 1.00 14.41 C ATOM 1051 O PHE A 68 -6.405 -9.323 -15.935 1.00 52.51 O ATOM 1052 CB PHE A 68 -6.996 -9.050 -19.052 1.00 12.54 C ATOM 1053 CG PHE A 68 -7.291 -10.016 -20.163 1.00 43.33 C ATOM 1054 CD1 PHE A 68 -8.544 -10.054 -20.752 1.00 14.02 C ATOM 1055 CD2 PHE A 68 -6.314 -10.886 -20.619 1.00 62.23 C ATOM 1056 CE1 PHE A 68 -8.819 -10.942 -21.775 1.00 44.43 C ATOM 1057 CE2 PHE A 68 -6.582 -11.776 -21.643 1.00 10.45 C ATOM 1058 CZ PHE A 68 -7.836 -11.804 -22.220 1.00 72.34 C ATOM 0 H PHE A 68 -7.683 -7.219 -17.303 1.00 65.44 H new ATOM 0 HA PHE A 68 -8.745 -9.857 -18.098 1.00 0.22 H new ATOM 0 HB2 PHE A 68 -7.116 -8.033 -19.424 1.00 12.54 H new ATOM 0 HB3 PHE A 68 -5.953 -9.159 -18.754 1.00 12.54 H new ATOM 0 HD1 PHE A 68 -9.316 -9.381 -20.408 1.00 14.02 H new ATOM 0 HD2 PHE A 68 -5.332 -10.869 -20.170 1.00 62.23 H new ATOM 0 HE1 PHE A 68 -9.800 -10.962 -22.225 1.00 44.43 H new ATOM 0 HE2 PHE A 68 -5.812 -12.448 -21.991 1.00 10.45 H new ATOM 0 HZ PHE A 68 -8.048 -12.499 -23.019 1.00 72.34 H new ATOM 1068 N LEU A 69 -7.247 -11.275 -16.671 1.00 62.11 N ATOM 1069 CA LEU A 69 -6.558 -12.077 -15.666 1.00 1.34 C ATOM 1070 C LEU A 69 -6.921 -13.552 -15.802 1.00 55.23 C ATOM 1071 O LEU A 69 -6.061 -14.414 -15.981 1.00 75.42 O ATOM 1072 CB LEU A 69 -6.909 -11.581 -14.262 1.00 20.24 C ATOM 1073 CG LEU A 69 -5.730 -11.366 -13.312 1.00 13.14 C ATOM 1074 CD1 LEU A 69 -4.984 -12.671 -13.082 1.00 71.04 C ATOM 1075 CD2 LEU A 69 -4.791 -10.302 -13.860 1.00 10.53 C ATOM 0 H LEU A 69 -7.828 -11.813 -17.314 1.00 62.11 H new ATOM 0 HA LEU A 69 -5.485 -11.971 -15.825 1.00 1.34 H new ATOM 0 HB2 LEU A 69 -7.451 -10.640 -14.356 1.00 20.24 H new ATOM 0 HB3 LEU A 69 -7.592 -12.298 -13.805 1.00 20.24 H new ATOM 0 HG LEU A 69 -6.119 -11.021 -12.354 1.00 13.14 H new ATOM 0 HD11 LEU A 69 -4.149 -12.498 -12.404 1.00 71.04 H new ATOM 0 HD12 LEU A 69 -5.661 -13.405 -12.644 1.00 71.04 H new ATOM 0 HD13 LEU A 69 -4.607 -13.047 -14.033 1.00 71.04 H new ATOM 0 HD21 LEU A 69 -3.958 -10.162 -13.171 1.00 10.53 H new ATOM 0 HD22 LEU A 69 -4.410 -10.618 -14.831 1.00 10.53 H new ATOM 0 HD23 LEU A 69 -5.332 -9.362 -13.971 1.00 10.53 H new ATOM 1087 N PRO A 70 -8.227 -13.850 -15.719 1.00 5.03 N ATOM 1088 CA PRO A 70 -8.734 -15.220 -15.833 1.00 73.42 C ATOM 1089 C PRO A 70 -8.598 -15.773 -17.248 1.00 55.41 C ATOM 1090 O PRO A 70 -8.758 -16.972 -17.474 1.00 60.24 O ATOM 1091 CB PRO A 70 -10.210 -15.085 -15.452 1.00 14.25 C ATOM 1092 CG PRO A 70 -10.555 -13.670 -15.767 1.00 22.03 C ATOM 1093 CD PRO A 70 -9.307 -12.872 -15.506 1.00 60.34 C ATOM 0 HA PRO A 70 -8.178 -15.914 -15.202 1.00 73.42 H new ATOM 0 HB2 PRO A 70 -10.830 -15.779 -16.019 1.00 14.25 H new ATOM 0 HB3 PRO A 70 -10.368 -15.305 -14.396 1.00 14.25 H new ATOM 0 HG2 PRO A 70 -10.874 -13.568 -16.804 1.00 22.03 H new ATOM 0 HG3 PRO A 70 -11.379 -13.321 -15.144 1.00 22.03 H new ATOM 0 HD2 PRO A 70 -9.222 -12.025 -16.186 1.00 60.34 H new ATOM 0 HD3 PRO A 70 -9.291 -12.470 -14.493 1.00 60.34 H new ATOM 1101 N ASP A 71 -8.303 -14.891 -18.196 1.00 41.44 N ATOM 1102 CA ASP A 71 -8.144 -15.290 -19.590 1.00 21.42 C ATOM 1103 C ASP A 71 -9.342 -16.109 -20.060 1.00 53.23 C ATOM 1104 O ASP A 71 -9.188 -17.099 -20.776 1.00 40.51 O ATOM 1105 CB ASP A 71 -6.857 -16.098 -19.767 1.00 75.42 C ATOM 1106 CG ASP A 71 -5.659 -15.428 -19.124 1.00 74.02 C ATOM 1107 OD1 ASP A 71 -5.044 -16.044 -18.228 1.00 54.23 O ATOM 1108 OD2 ASP A 71 -5.336 -14.288 -19.517 1.00 52.15 O ATOM 0 H ASP A 71 -8.169 -13.894 -18.025 1.00 41.44 H new ATOM 0 HA ASP A 71 -8.083 -14.387 -20.197 1.00 21.42 H new ATOM 0 HB2 ASP A 71 -6.991 -17.089 -19.333 1.00 75.42 H new ATOM 0 HB3 ASP A 71 -6.663 -16.239 -20.830 1.00 75.42 H new ATOM 1113 N ARG A 72 -10.536 -15.689 -19.653 1.00 24.44 N ATOM 1114 CA ARG A 72 -11.760 -16.385 -20.030 1.00 50.35 C ATOM 1115 C ARG A 72 -12.869 -15.391 -20.363 1.00 12.02 C ATOM 1116 O ARG A 72 -14.054 -15.711 -20.263 1.00 62.30 O ATOM 1117 CB ARG A 72 -12.214 -17.313 -18.902 1.00 65.13 C ATOM 1118 CG ARG A 72 -12.866 -18.595 -19.394 1.00 11.15 C ATOM 1119 CD ARG A 72 -12.627 -19.747 -18.430 1.00 11.53 C ATOM 1120 NE ARG A 72 -13.639 -20.791 -18.564 1.00 25.52 N ATOM 1121 CZ ARG A 72 -13.766 -21.804 -17.713 1.00 55.15 C ATOM 1122 NH1 ARG A 72 -12.951 -21.907 -16.673 1.00 33.11 N ATOM 1123 NH2 ARG A 72 -14.712 -22.716 -17.903 1.00 1.42 N ATOM 0 H ARG A 72 -10.681 -14.870 -19.062 1.00 24.44 H new ATOM 0 HA ARG A 72 -11.550 -16.981 -20.918 1.00 50.35 H new ATOM 0 HB2 ARG A 72 -11.353 -17.567 -18.283 1.00 65.13 H new ATOM 0 HB3 ARG A 72 -12.918 -16.779 -18.264 1.00 65.13 H new ATOM 0 HG2 ARG A 72 -13.938 -18.436 -19.515 1.00 11.15 H new ATOM 0 HG3 ARG A 72 -12.469 -18.853 -20.376 1.00 11.15 H new ATOM 0 HD2 ARG A 72 -11.640 -20.173 -18.612 1.00 11.53 H new ATOM 0 HD3 ARG A 72 -12.628 -19.370 -17.407 1.00 11.53 H new ATOM 0 HE ARG A 72 -14.283 -20.740 -19.353 1.00 25.52 H new ATOM 0 HH11 ARG A 72 -12.224 -21.208 -16.524 1.00 33.11 H new ATOM 0 HH12 ARG A 72 -13.051 -22.686 -16.022 1.00 33.11 H new ATOM 0 HH21 ARG A 72 -15.341 -22.639 -18.702 1.00 1.42 H new ATOM 0 HH22 ARG A 72 -14.809 -23.493 -17.250 1.00 1.42 H new ATOM 1137 N ASP A 73 -12.477 -14.185 -20.757 1.00 42.33 N ATOM 1138 CA ASP A 73 -13.437 -13.144 -21.105 1.00 14.11 C ATOM 1139 C ASP A 73 -13.691 -13.119 -22.609 1.00 3.30 C ATOM 1140 O ASP A 73 -13.919 -12.059 -23.191 1.00 74.12 O ATOM 1141 CB ASP A 73 -12.933 -11.778 -20.637 1.00 50.11 C ATOM 1142 CG ASP A 73 -13.999 -10.704 -20.731 1.00 31.05 C ATOM 1143 OD1 ASP A 73 -15.146 -10.968 -20.311 1.00 42.15 O ATOM 1144 OD2 ASP A 73 -13.687 -9.600 -21.222 1.00 4.52 O ATOM 0 H ASP A 73 -11.500 -13.904 -20.844 1.00 42.33 H new ATOM 0 HA ASP A 73 -14.377 -13.368 -20.600 1.00 14.11 H new ATOM 0 HB2 ASP A 73 -12.589 -11.855 -19.606 1.00 50.11 H new ATOM 0 HB3 ASP A 73 -12.073 -11.486 -21.239 1.00 50.11 H new ATOM 1149 N GLU A 74 -13.647 -14.293 -23.231 1.00 51.42 N ATOM 1150 CA GLU A 74 -13.870 -14.404 -24.668 1.00 12.31 C ATOM 1151 C GLU A 74 -12.850 -13.575 -25.443 1.00 4.24 C ATOM 1152 O GLU A 74 -13.194 -12.879 -26.397 1.00 35.12 O ATOM 1153 CB GLU A 74 -15.288 -13.949 -25.023 1.00 65.51 C ATOM 1154 CG GLU A 74 -16.370 -14.639 -24.209 1.00 65.23 C ATOM 1155 CD GLU A 74 -17.765 -14.337 -24.720 1.00 11.15 C ATOM 1156 OE1 GLU A 74 -17.899 -13.454 -25.593 1.00 25.02 O ATOM 1157 OE2 GLU A 74 -18.723 -14.982 -24.246 1.00 33.41 O ATOM 0 H GLU A 74 -13.459 -15.180 -22.763 1.00 51.42 H new ATOM 0 HA GLU A 74 -13.750 -15.451 -24.948 1.00 12.31 H new ATOM 0 HB2 GLU A 74 -15.363 -12.872 -24.873 1.00 65.51 H new ATOM 0 HB3 GLU A 74 -15.466 -14.136 -26.082 1.00 65.51 H new ATOM 0 HG2 GLU A 74 -16.204 -15.716 -24.230 1.00 65.23 H new ATOM 0 HG3 GLU A 74 -16.292 -14.325 -23.168 1.00 65.23 H new ATOM 1164 N GLY A 75 -11.590 -13.655 -25.023 1.00 52.35 N ATOM 1165 CA GLY A 75 -10.539 -12.907 -25.688 1.00 25.13 C ATOM 1166 C GLY A 75 -9.267 -13.716 -25.852 1.00 74.35 C ATOM 1167 O GLY A 75 -8.566 -13.585 -26.855 1.00 3.42 O ATOM 0 H GLY A 75 -11.279 -14.224 -24.235 1.00 52.35 H new ATOM 0 HA2 GLY A 75 -10.891 -12.586 -26.668 1.00 25.13 H new ATOM 0 HA3 GLY A 75 -10.321 -12.005 -25.116 1.00 25.13 H new ATOM 1171 N MET A 76 -8.969 -14.555 -24.865 1.00 53.43 N ATOM 1172 CA MET A 76 -7.773 -15.388 -24.906 1.00 11.22 C ATOM 1173 C MET A 76 -7.690 -16.156 -26.221 1.00 44.42 C ATOM 1174 O MET A 76 -6.600 -16.480 -26.693 1.00 13.11 O ATOM 1175 CB MET A 76 -7.767 -16.366 -23.730 1.00 20.15 C ATOM 1176 CG MET A 76 -8.705 -17.547 -23.917 1.00 31.44 C ATOM 1177 SD MET A 76 -7.867 -19.002 -24.574 1.00 75.25 S ATOM 1178 CE MET A 76 -8.995 -20.299 -24.069 1.00 63.34 C ATOM 0 H MET A 76 -9.539 -14.676 -24.028 1.00 53.43 H new ATOM 0 HA MET A 76 -6.903 -14.735 -24.831 1.00 11.22 H new ATOM 0 HB2 MET A 76 -6.753 -16.738 -23.582 1.00 20.15 H new ATOM 0 HB3 MET A 76 -8.046 -15.831 -22.822 1.00 20.15 H new ATOM 0 HG2 MET A 76 -9.163 -17.797 -22.960 1.00 31.44 H new ATOM 0 HG3 MET A 76 -9.512 -17.262 -24.592 1.00 31.44 H new ATOM 0 HE1 MET A 76 -8.613 -21.264 -24.403 1.00 63.34 H new ATOM 0 HE2 MET A 76 -9.084 -20.301 -22.983 1.00 63.34 H new ATOM 0 HE3 MET A 76 -9.975 -20.123 -24.513 1.00 63.34 H new ATOM 1188 N MET A 77 -8.847 -16.443 -26.808 1.00 21.22 N ATOM 1189 CA MET A 77 -8.903 -17.172 -28.070 1.00 33.34 C ATOM 1190 C MET A 77 -8.284 -16.354 -29.198 1.00 60.23 C ATOM 1191 O MET A 77 -7.596 -16.895 -30.063 1.00 74.53 O ATOM 1192 CB MET A 77 -10.351 -17.525 -28.415 1.00 33.30 C ATOM 1193 CG MET A 77 -11.255 -16.312 -28.557 1.00 53.44 C ATOM 1194 SD MET A 77 -12.998 -16.755 -28.685 1.00 13.00 S ATOM 1195 CE MET A 77 -13.539 -15.634 -29.973 1.00 34.11 C ATOM 0 H MET A 77 -9.758 -16.182 -26.430 1.00 21.22 H new ATOM 0 HA MET A 77 -8.330 -18.092 -27.956 1.00 33.34 H new ATOM 0 HB2 MET A 77 -10.366 -18.090 -29.347 1.00 33.30 H new ATOM 0 HB3 MET A 77 -10.752 -18.178 -27.640 1.00 33.30 H new ATOM 0 HG2 MET A 77 -11.113 -15.656 -27.698 1.00 53.44 H new ATOM 0 HG3 MET A 77 -10.962 -15.747 -29.442 1.00 53.44 H new ATOM 0 HE1 MET A 77 -14.601 -15.787 -30.167 1.00 34.11 H new ATOM 0 HE2 MET A 77 -13.373 -14.605 -29.653 1.00 34.11 H new ATOM 0 HE3 MET A 77 -12.973 -15.826 -30.884 1.00 34.11 H new ATOM 1205 N GLU A 78 -8.533 -15.048 -29.183 1.00 31.54 N ATOM 1206 CA GLU A 78 -8.000 -14.157 -30.206 1.00 70.44 C ATOM 1207 C GLU A 78 -6.639 -13.605 -29.792 1.00 71.21 C ATOM 1208 O GLU A 78 -5.853 -13.170 -30.633 1.00 22.42 O ATOM 1209 CB GLU A 78 -8.972 -13.005 -30.468 1.00 32.14 C ATOM 1210 CG GLU A 78 -9.683 -13.100 -31.807 1.00 44.04 C ATOM 1211 CD GLU A 78 -10.993 -12.337 -31.828 1.00 42.24 C ATOM 1212 OE1 GLU A 78 -11.837 -12.633 -32.700 1.00 41.51 O ATOM 1213 OE2 GLU A 78 -11.174 -11.444 -30.974 1.00 60.41 O ATOM 0 H GLU A 78 -9.100 -14.584 -28.474 1.00 31.54 H new ATOM 0 HA GLU A 78 -7.875 -14.733 -31.123 1.00 70.44 H new ATOM 0 HB2 GLU A 78 -9.716 -12.981 -29.672 1.00 32.14 H new ATOM 0 HB3 GLU A 78 -8.426 -12.063 -30.422 1.00 32.14 H new ATOM 0 HG2 GLU A 78 -9.029 -12.714 -32.589 1.00 44.04 H new ATOM 0 HG3 GLU A 78 -9.873 -14.148 -32.039 1.00 44.04 H new ATOM 1220 N GLU A 79 -6.370 -13.626 -28.490 1.00 41.14 N ATOM 1221 CA GLU A 79 -5.105 -13.126 -27.965 1.00 31.04 C ATOM 1222 C GLU A 79 -4.194 -14.278 -27.552 1.00 62.52 C ATOM 1223 O GLU A 79 -3.264 -14.099 -26.767 1.00 42.42 O ATOM 1224 CB GLU A 79 -5.353 -12.204 -26.769 1.00 30.44 C ATOM 1225 CG GLU A 79 -6.285 -11.044 -27.077 1.00 24.30 C ATOM 1226 CD GLU A 79 -5.950 -10.360 -28.388 1.00 3.31 C ATOM 1227 OE1 GLU A 79 -4.963 -9.594 -28.422 1.00 35.14 O ATOM 1228 OE2 GLU A 79 -6.673 -10.589 -29.379 1.00 71.04 O ATOM 0 H GLU A 79 -7.010 -13.983 -27.781 1.00 41.14 H new ATOM 0 HA GLU A 79 -4.611 -12.560 -28.755 1.00 31.04 H new ATOM 0 HB2 GLU A 79 -5.773 -12.789 -25.951 1.00 30.44 H new ATOM 0 HB3 GLU A 79 -4.398 -11.809 -26.421 1.00 30.44 H new ATOM 0 HG2 GLU A 79 -7.312 -11.407 -27.113 1.00 24.30 H new ATOM 0 HG3 GLU A 79 -6.233 -10.316 -26.268 1.00 24.30 H new ATOM 1235 N GLY A 80 -4.469 -15.464 -28.088 1.00 11.11 N ATOM 1236 CA GLY A 80 -3.667 -16.629 -27.764 1.00 5.21 C ATOM 1237 C GLY A 80 -3.778 -17.719 -28.811 1.00 61.11 C ATOM 1238 O GLY A 80 -2.790 -18.374 -29.145 1.00 1.43 O ATOM 0 H GLY A 80 -5.233 -15.638 -28.741 1.00 11.11 H new ATOM 0 HA2 GLY A 80 -2.623 -16.331 -27.663 1.00 5.21 H new ATOM 0 HA3 GLY A 80 -3.980 -17.024 -26.798 1.00 5.21 H new ATOM 1242 N LYS A 81 -4.985 -17.917 -29.331 1.00 24.03 N ATOM 1243 CA LYS A 81 -5.223 -18.936 -30.346 1.00 52.11 C ATOM 1244 C LYS A 81 -5.317 -18.310 -31.734 1.00 14.43 C ATOM 1245 O LYS A 81 -5.868 -18.907 -32.660 1.00 22.13 O ATOM 1246 CB LYS A 81 -6.509 -19.705 -30.034 1.00 23.32 C ATOM 1247 CG LYS A 81 -6.276 -20.985 -29.249 1.00 14.31 C ATOM 1248 CD LYS A 81 -5.537 -22.021 -30.078 1.00 63.11 C ATOM 1249 CE LYS A 81 -4.168 -22.331 -29.491 1.00 72.22 C ATOM 1250 NZ LYS A 81 -3.541 -23.515 -30.141 1.00 74.41 N ATOM 0 H LYS A 81 -5.814 -17.385 -29.066 1.00 24.03 H new ATOM 0 HA LYS A 81 -4.381 -19.628 -30.335 1.00 52.11 H new ATOM 0 HB2 LYS A 81 -7.181 -19.059 -29.469 1.00 23.32 H new ATOM 0 HB3 LYS A 81 -7.013 -19.949 -30.969 1.00 23.32 H new ATOM 0 HG2 LYS A 81 -5.703 -20.762 -28.349 1.00 14.31 H new ATOM 0 HG3 LYS A 81 -7.233 -21.393 -28.924 1.00 14.31 H new ATOM 0 HD2 LYS A 81 -6.127 -22.936 -30.130 1.00 63.11 H new ATOM 0 HD3 LYS A 81 -5.422 -21.657 -31.099 1.00 63.11 H new ATOM 0 HE2 LYS A 81 -3.517 -21.465 -29.610 1.00 72.22 H new ATOM 0 HE3 LYS A 81 -4.265 -22.513 -28.421 1.00 72.22 H new ATOM 0 HZ1 LYS A 81 -2.610 -23.693 -29.713 1.00 74.41 H new ATOM 0 HZ2 LYS A 81 -4.149 -24.348 -30.006 1.00 74.41 H new ATOM 0 HZ3 LYS A 81 -3.425 -23.332 -31.158 1.00 74.41 H new ATOM 1264 N LEU A 82 -4.776 -17.104 -31.872 1.00 32.33 N ATOM 1265 CA LEU A 82 -4.798 -16.397 -33.148 1.00 23.44 C ATOM 1266 C LEU A 82 -3.400 -15.920 -33.529 1.00 72.24 C ATOM 1267 O LEU A 82 -2.859 -16.315 -34.563 1.00 14.34 O ATOM 1268 CB LEU A 82 -5.754 -15.206 -33.077 1.00 14.12 C ATOM 1269 CG LEU A 82 -6.166 -14.595 -34.417 1.00 5.32 C ATOM 1270 CD1 LEU A 82 -7.278 -15.410 -35.057 1.00 31.43 C ATOM 1271 CD2 LEU A 82 -6.601 -13.148 -34.232 1.00 62.31 C ATOM 0 H LEU A 82 -4.317 -16.596 -31.116 1.00 32.33 H new ATOM 0 HA LEU A 82 -5.147 -17.090 -33.914 1.00 23.44 H new ATOM 0 HB2 LEU A 82 -6.656 -15.520 -32.551 1.00 14.12 H new ATOM 0 HB3 LEU A 82 -5.288 -14.427 -32.473 1.00 14.12 H new ATOM 0 HG LEU A 82 -5.303 -14.612 -35.082 1.00 5.32 H new ATOM 0 HD11 LEU A 82 -7.557 -14.959 -36.009 1.00 31.43 H new ATOM 0 HD12 LEU A 82 -6.931 -16.429 -35.226 1.00 31.43 H new ATOM 0 HD13 LEU A 82 -8.144 -15.426 -34.395 1.00 31.43 H new ATOM 0 HD21 LEU A 82 -6.891 -12.729 -35.196 1.00 62.31 H new ATOM 0 HD22 LEU A 82 -7.449 -13.108 -33.549 1.00 62.31 H new ATOM 0 HD23 LEU A 82 -5.775 -12.570 -33.819 1.00 62.31 H new ATOM 1283 N ASP A 83 -2.821 -15.071 -32.688 1.00 45.03 N ATOM 1284 CA ASP A 83 -1.484 -14.542 -32.936 1.00 31.24 C ATOM 1285 C ASP A 83 -0.516 -14.980 -31.841 1.00 45.33 C ATOM 1286 O ASP A 83 -0.760 -14.756 -30.656 1.00 75.13 O ATOM 1287 CB ASP A 83 -1.524 -13.016 -33.018 1.00 42.54 C ATOM 1288 CG ASP A 83 -2.800 -12.503 -33.656 1.00 34.24 C ATOM 1289 OD1 ASP A 83 -3.364 -11.513 -33.143 1.00 71.41 O ATOM 1290 OD2 ASP A 83 -3.235 -13.091 -34.667 1.00 75.54 O ATOM 0 H ASP A 83 -3.256 -14.734 -31.829 1.00 45.03 H new ATOM 0 HA ASP A 83 -1.132 -14.940 -33.888 1.00 31.24 H new ATOM 0 HB2 ASP A 83 -1.429 -12.599 -32.015 1.00 42.54 H new ATOM 0 HB3 ASP A 83 -0.667 -12.663 -33.592 1.00 42.54 H new ATOM 1295 N ALA A 84 0.585 -15.605 -32.247 1.00 75.33 N ATOM 1296 CA ALA A 84 1.590 -16.073 -31.302 1.00 22.33 C ATOM 1297 C ALA A 84 2.100 -14.929 -30.432 1.00 23.53 C ATOM 1298 O ALA A 84 2.517 -15.141 -29.293 1.00 20.20 O ATOM 1299 CB ALA A 84 2.745 -16.731 -32.042 1.00 61.41 C ATOM 0 H ALA A 84 0.803 -15.799 -33.225 1.00 75.33 H new ATOM 0 HA ALA A 84 1.124 -16.811 -30.650 1.00 22.33 H new ATOM 0 HB1 ALA A 84 3.488 -17.076 -31.323 1.00 61.41 H new ATOM 0 HB2 ALA A 84 2.373 -17.580 -32.615 1.00 61.41 H new ATOM 0 HB3 ALA A 84 3.202 -16.009 -32.719 1.00 61.41 H new ATOM 1305 N SER A 85 2.065 -13.717 -30.976 1.00 21.22 N ATOM 1306 CA SER A 85 2.528 -12.540 -30.250 1.00 63.14 C ATOM 1307 C SER A 85 1.650 -12.272 -29.032 1.00 55.14 C ATOM 1308 O SER A 85 2.144 -11.909 -27.964 1.00 60.03 O ATOM 1309 CB SER A 85 2.532 -11.317 -31.170 1.00 22.23 C ATOM 1310 OG SER A 85 3.828 -10.751 -31.260 1.00 22.03 O ATOM 0 H SER A 85 1.721 -13.524 -31.917 1.00 21.22 H new ATOM 0 HA SER A 85 3.545 -12.732 -29.907 1.00 63.14 H new ATOM 0 HB2 SER A 85 2.187 -11.604 -32.163 1.00 22.23 H new ATOM 0 HB3 SER A 85 1.832 -10.572 -30.793 1.00 22.23 H new ATOM 0 HG SER A 85 3.804 -9.972 -31.855 1.00 22.03 H new ATOM 1316 N CYS A 86 0.345 -12.453 -29.201 1.00 75.21 N ATOM 1317 CA CYS A 86 -0.605 -12.230 -28.116 1.00 61.34 C ATOM 1318 C CYS A 86 -0.428 -13.272 -27.016 1.00 44.51 C ATOM 1319 O CYS A 86 -0.387 -12.937 -25.832 1.00 63.45 O ATOM 1320 CB CYS A 86 -2.038 -12.272 -28.649 1.00 31.13 C ATOM 1321 SG CYS A 86 -2.393 -11.028 -29.911 1.00 52.53 S ATOM 0 H CYS A 86 -0.080 -12.753 -30.078 1.00 75.21 H new ATOM 0 HA CYS A 86 -0.411 -11.244 -27.693 1.00 61.34 H new ATOM 0 HB2 CYS A 86 -2.231 -13.261 -29.065 1.00 31.13 H new ATOM 0 HB3 CYS A 86 -2.728 -12.136 -27.816 1.00 31.13 H new ATOM 0 HG CYS A 86 -3.410 -10.309 -29.538 1.00 52.53 H new ATOM 1327 N ALA A 87 -0.324 -14.535 -27.415 1.00 54.13 N ATOM 1328 CA ALA A 87 -0.151 -15.625 -26.463 1.00 73.14 C ATOM 1329 C ALA A 87 1.139 -15.460 -25.668 1.00 2.40 C ATOM 1330 O ALA A 87 1.171 -15.696 -24.460 1.00 55.22 O ATOM 1331 CB ALA A 87 -0.160 -16.964 -27.187 1.00 2.33 C ATOM 0 H ALA A 87 -0.357 -14.829 -28.391 1.00 54.13 H new ATOM 0 HA ALA A 87 -0.985 -15.598 -25.761 1.00 73.14 H new ATOM 0 HB1 ALA A 87 -0.030 -17.769 -26.464 1.00 2.33 H new ATOM 0 HB2 ALA A 87 -1.111 -17.091 -27.705 1.00 2.33 H new ATOM 0 HB3 ALA A 87 0.654 -16.992 -27.911 1.00 2.33 H new ATOM 1337 N VAL A 88 2.203 -15.053 -26.353 1.00 43.01 N ATOM 1338 CA VAL A 88 3.497 -14.856 -25.710 1.00 51.42 C ATOM 1339 C VAL A 88 3.453 -13.684 -24.736 1.00 43.41 C ATOM 1340 O VAL A 88 3.959 -13.774 -23.618 1.00 2.50 O ATOM 1341 CB VAL A 88 4.607 -14.605 -26.748 1.00 61.40 C ATOM 1342 CG1 VAL A 88 5.911 -14.236 -26.057 1.00 31.20 C ATOM 1343 CG2 VAL A 88 4.792 -15.827 -27.635 1.00 73.22 C ATOM 0 H VAL A 88 2.194 -14.853 -27.353 1.00 43.01 H new ATOM 0 HA VAL A 88 3.722 -15.772 -25.163 1.00 51.42 H new ATOM 0 HB VAL A 88 4.308 -13.768 -27.379 1.00 61.40 H new ATOM 0 HG11 VAL A 88 6.683 -14.062 -26.806 1.00 31.20 H new ATOM 0 HG12 VAL A 88 5.767 -13.330 -25.468 1.00 31.20 H new ATOM 0 HG13 VAL A 88 6.218 -15.050 -25.401 1.00 31.20 H new ATOM 0 HG21 VAL A 88 5.580 -15.633 -28.363 1.00 73.22 H new ATOM 0 HG22 VAL A 88 5.069 -16.684 -27.021 1.00 73.22 H new ATOM 0 HG23 VAL A 88 3.860 -16.041 -28.158 1.00 73.22 H new ATOM 1353 N ALA A 89 2.845 -12.584 -25.169 1.00 32.23 N ATOM 1354 CA ALA A 89 2.733 -11.394 -24.334 1.00 74.50 C ATOM 1355 C ALA A 89 1.983 -11.699 -23.042 1.00 34.22 C ATOM 1356 O ALA A 89 2.401 -11.289 -21.959 1.00 23.22 O ATOM 1357 CB ALA A 89 2.038 -10.277 -25.098 1.00 63.05 C ATOM 0 H ALA A 89 2.423 -12.492 -26.093 1.00 32.23 H new ATOM 0 HA ALA A 89 3.740 -11.068 -24.071 1.00 74.50 H new ATOM 0 HB1 ALA A 89 1.961 -9.395 -24.463 1.00 63.05 H new ATOM 0 HB2 ALA A 89 2.615 -10.033 -25.990 1.00 63.05 H new ATOM 0 HB3 ALA A 89 1.039 -10.602 -25.390 1.00 63.05 H new ATOM 1363 N ILE A 90 0.873 -12.420 -23.163 1.00 52.31 N ATOM 1364 CA ILE A 90 0.065 -12.779 -22.004 1.00 64.10 C ATOM 1365 C ILE A 90 0.826 -13.718 -21.074 1.00 20.01 C ATOM 1366 O ILE A 90 0.869 -13.506 -19.863 1.00 21.34 O ATOM 1367 CB ILE A 90 -1.256 -13.450 -22.424 1.00 64.13 C ATOM 1368 CG1 ILE A 90 -2.089 -12.494 -23.281 1.00 24.22 C ATOM 1369 CG2 ILE A 90 -2.040 -13.891 -21.197 1.00 42.53 C ATOM 1370 CD1 ILE A 90 -3.219 -13.175 -24.021 1.00 2.22 C ATOM 0 H ILE A 90 0.513 -12.767 -24.052 1.00 52.31 H new ATOM 0 HA ILE A 90 -0.160 -11.852 -21.477 1.00 64.10 H new ATOM 0 HB ILE A 90 -1.025 -14.333 -23.019 1.00 64.13 H new ATOM 0 HG12 ILE A 90 -2.502 -11.713 -22.643 1.00 24.22 H new ATOM 0 HG13 ILE A 90 -1.436 -12.004 -24.003 1.00 24.22 H new ATOM 0 HG21 ILE A 90 -2.971 -14.363 -21.510 1.00 42.53 H new ATOM 0 HG22 ILE A 90 -1.447 -14.603 -20.623 1.00 42.53 H new ATOM 0 HG23 ILE A 90 -2.264 -13.023 -20.577 1.00 42.53 H new ATOM 0 HD11 ILE A 90 -3.767 -12.437 -24.608 1.00 2.22 H new ATOM 0 HD12 ILE A 90 -2.812 -13.937 -24.685 1.00 2.22 H new ATOM 0 HD13 ILE A 90 -3.894 -13.642 -23.304 1.00 2.22 H new ATOM 1382 N GLU A 91 1.426 -14.755 -21.650 1.00 41.01 N ATOM 1383 CA GLU A 91 2.186 -15.726 -20.872 1.00 4.22 C ATOM 1384 C GLU A 91 3.298 -15.040 -20.083 1.00 11.14 C ATOM 1385 O GLU A 91 3.596 -15.422 -18.951 1.00 53.34 O ATOM 1386 CB GLU A 91 2.783 -16.794 -21.790 1.00 71.35 C ATOM 1387 CG GLU A 91 2.036 -18.117 -21.751 1.00 1.03 C ATOM 1388 CD GLU A 91 2.563 -19.115 -22.764 1.00 14.22 C ATOM 1389 OE1 GLU A 91 1.843 -19.400 -23.744 1.00 33.43 O ATOM 1390 OE2 GLU A 91 3.693 -19.610 -22.577 1.00 65.21 O ATOM 0 H GLU A 91 1.400 -14.944 -22.652 1.00 41.01 H new ATOM 0 HA GLU A 91 1.504 -16.202 -20.168 1.00 4.22 H new ATOM 0 HB2 GLU A 91 2.788 -16.419 -22.814 1.00 71.35 H new ATOM 0 HB3 GLU A 91 3.822 -16.964 -21.507 1.00 71.35 H new ATOM 0 HG2 GLU A 91 2.114 -18.544 -20.751 1.00 1.03 H new ATOM 0 HG3 GLU A 91 0.978 -17.938 -21.940 1.00 1.03 H new ATOM 1397 N GLU A 92 3.907 -14.026 -20.689 1.00 2.10 N ATOM 1398 CA GLU A 92 4.987 -13.288 -20.043 1.00 54.15 C ATOM 1399 C GLU A 92 4.450 -12.421 -18.909 1.00 13.55 C ATOM 1400 O GLU A 92 5.021 -12.382 -17.819 1.00 41.43 O ATOM 1401 CB GLU A 92 5.719 -12.415 -21.064 1.00 63.05 C ATOM 1402 CG GLU A 92 6.472 -13.211 -22.117 1.00 24.21 C ATOM 1403 CD GLU A 92 7.964 -12.939 -22.098 1.00 20.24 C ATOM 1404 OE1 GLU A 92 8.350 -11.752 -22.130 1.00 3.11 O ATOM 1405 OE2 GLU A 92 8.745 -13.913 -22.050 1.00 54.45 O ATOM 0 H GLU A 92 3.672 -13.697 -21.625 1.00 2.10 H new ATOM 0 HA GLU A 92 5.688 -14.011 -19.625 1.00 54.15 H new ATOM 0 HB2 GLU A 92 4.996 -11.766 -21.559 1.00 63.05 H new ATOM 0 HB3 GLU A 92 6.421 -11.768 -20.539 1.00 63.05 H new ATOM 0 HG2 GLU A 92 6.298 -14.275 -21.956 1.00 24.21 H new ATOM 0 HG3 GLU A 92 6.075 -12.969 -23.103 1.00 24.21 H new ATOM 1412 N ALA A 93 3.348 -11.726 -19.173 1.00 0.21 N ATOM 1413 CA ALA A 93 2.733 -10.860 -18.175 1.00 32.24 C ATOM 1414 C ALA A 93 2.379 -11.641 -16.914 1.00 22.34 C ATOM 1415 O ALA A 93 2.632 -11.185 -15.798 1.00 41.12 O ATOM 1416 CB ALA A 93 1.493 -10.191 -18.748 1.00 74.14 C ATOM 0 H ALA A 93 2.863 -11.746 -20.070 1.00 0.21 H new ATOM 0 HA ALA A 93 3.455 -10.090 -17.904 1.00 32.24 H new ATOM 0 HB1 ALA A 93 1.044 -9.547 -17.991 1.00 74.14 H new ATOM 0 HB2 ALA A 93 1.771 -9.592 -19.615 1.00 74.14 H new ATOM 0 HB3 ALA A 93 0.774 -10.953 -19.048 1.00 74.14 H new ATOM 1422 N ILE A 94 1.793 -12.819 -17.098 1.00 22.51 N ATOM 1423 CA ILE A 94 1.406 -13.663 -15.974 1.00 74.45 C ATOM 1424 C ILE A 94 2.626 -14.303 -15.321 1.00 73.40 C ATOM 1425 O ILE A 94 2.665 -14.488 -14.105 1.00 11.21 O ATOM 1426 CB ILE A 94 0.431 -14.773 -16.413 1.00 43.53 C ATOM 1427 CG1 ILE A 94 1.091 -15.678 -17.456 1.00 12.41 C ATOM 1428 CG2 ILE A 94 -0.849 -14.165 -16.966 1.00 12.51 C ATOM 1429 CD1 ILE A 94 0.170 -16.750 -17.995 1.00 13.24 C ATOM 0 H ILE A 94 1.576 -13.211 -18.014 1.00 22.51 H new ATOM 0 HA ILE A 94 0.907 -13.017 -15.251 1.00 74.45 H new ATOM 0 HB ILE A 94 0.176 -15.378 -15.543 1.00 43.53 H new ATOM 0 HG12 ILE A 94 1.446 -15.065 -18.285 1.00 12.41 H new ATOM 0 HG13 ILE A 94 1.966 -16.152 -17.012 1.00 12.41 H new ATOM 0 HG21 ILE A 94 -1.528 -14.961 -17.272 1.00 12.51 H new ATOM 0 HG22 ILE A 94 -1.326 -13.558 -16.196 1.00 12.51 H new ATOM 0 HG23 ILE A 94 -0.612 -13.539 -17.827 1.00 12.51 H new ATOM 0 HD11 ILE A 94 0.704 -17.353 -18.729 1.00 13.24 H new ATOM 0 HD12 ILE A 94 -0.165 -17.387 -17.176 1.00 13.24 H new ATOM 0 HD13 ILE A 94 -0.694 -16.283 -18.469 1.00 13.24 H new ATOM 1441 N GLN A 95 3.620 -14.638 -16.137 1.00 40.01 N ATOM 1442 CA GLN A 95 4.842 -15.256 -15.638 1.00 24.34 C ATOM 1443 C GLN A 95 5.607 -14.297 -14.732 1.00 10.33 C ATOM 1444 O GLN A 95 6.293 -14.719 -13.800 1.00 61.41 O ATOM 1445 CB GLN A 95 5.731 -15.693 -16.803 1.00 62.24 C ATOM 1446 CG GLN A 95 7.001 -16.406 -16.367 1.00 0.44 C ATOM 1447 CD GLN A 95 6.740 -17.818 -15.880 1.00 43.34 C ATOM 1448 OE1 GLN A 95 6.412 -18.034 -14.713 1.00 64.25 O ATOM 1449 NE2 GLN A 95 6.885 -18.788 -16.775 1.00 72.21 N ATOM 0 H GLN A 95 3.603 -14.492 -17.146 1.00 40.01 H new ATOM 0 HA GLN A 95 4.562 -16.133 -15.055 1.00 24.34 H new ATOM 0 HB2 GLN A 95 5.160 -16.353 -17.457 1.00 62.24 H new ATOM 0 HB3 GLN A 95 6.001 -14.816 -17.392 1.00 62.24 H new ATOM 0 HG2 GLN A 95 7.701 -16.437 -17.202 1.00 0.44 H new ATOM 0 HG3 GLN A 95 7.479 -15.834 -15.572 1.00 0.44 H new ATOM 0 HE21 GLN A 95 7.158 -18.563 -17.732 1.00 72.21 H new ATOM 0 HE22 GLN A 95 6.723 -19.758 -16.506 1.00 72.21 H new ATOM 1458 N LEU A 96 5.485 -13.004 -15.011 1.00 12.32 N ATOM 1459 CA LEU A 96 6.165 -11.983 -14.221 1.00 11.00 C ATOM 1460 C LEU A 96 5.341 -11.605 -12.994 1.00 52.24 C ATOM 1461 O LEU A 96 5.876 -11.461 -11.895 1.00 12.31 O ATOM 1462 CB LEU A 96 6.429 -10.741 -15.075 1.00 31.53 C ATOM 1463 CG LEU A 96 7.482 -10.893 -16.172 1.00 64.45 C ATOM 1464 CD1 LEU A 96 7.392 -9.742 -17.162 1.00 71.32 C ATOM 1465 CD2 LEU A 96 8.876 -10.970 -15.567 1.00 24.30 C ATOM 0 H LEU A 96 4.922 -12.638 -15.778 1.00 12.32 H new ATOM 0 HA LEU A 96 7.117 -12.394 -13.884 1.00 11.00 H new ATOM 0 HB2 LEU A 96 5.491 -10.438 -15.539 1.00 31.53 H new ATOM 0 HB3 LEU A 96 6.735 -9.929 -14.415 1.00 31.53 H new ATOM 0 HG LEU A 96 7.288 -11.822 -16.708 1.00 64.45 H new ATOM 0 HD11 LEU A 96 8.149 -9.867 -17.936 1.00 71.32 H new ATOM 0 HD12 LEU A 96 6.403 -9.733 -17.620 1.00 71.32 H new ATOM 0 HD13 LEU A 96 7.559 -8.800 -16.640 1.00 71.32 H new ATOM 0 HD21 LEU A 96 9.613 -11.078 -16.363 1.00 24.30 H new ATOM 0 HD22 LEU A 96 9.080 -10.058 -15.005 1.00 24.30 H new ATOM 0 HD23 LEU A 96 8.936 -11.829 -14.899 1.00 24.30 H new ATOM 1477 N TYR A 97 4.036 -11.448 -13.190 1.00 45.41 N ATOM 1478 CA TYR A 97 3.138 -11.086 -12.100 1.00 21.20 C ATOM 1479 C TYR A 97 3.181 -12.132 -10.990 1.00 14.43 C ATOM 1480 O TYR A 97 3.222 -11.795 -9.807 1.00 13.30 O ATOM 1481 CB TYR A 97 1.707 -10.935 -12.619 1.00 63.11 C ATOM 1482 CG TYR A 97 0.680 -10.765 -11.523 1.00 1.14 C ATOM 1483 CD1 TYR A 97 0.714 -9.663 -10.677 1.00 4.11 C ATOM 1484 CD2 TYR A 97 -0.324 -11.706 -11.332 1.00 23.24 C ATOM 1485 CE1 TYR A 97 -0.221 -9.503 -9.673 1.00 75.52 C ATOM 1486 CE2 TYR A 97 -1.265 -11.554 -10.332 1.00 25.24 C ATOM 1487 CZ TYR A 97 -1.209 -10.451 -9.505 1.00 31.50 C ATOM 1488 OH TYR A 97 -2.144 -10.297 -8.507 1.00 23.23 O ATOM 0 H TYR A 97 3.577 -11.566 -14.093 1.00 45.41 H new ATOM 0 HA TYR A 97 3.471 -10.133 -11.690 1.00 21.20 H new ATOM 0 HB2 TYR A 97 1.660 -10.074 -13.286 1.00 63.11 H new ATOM 0 HB3 TYR A 97 1.450 -11.812 -13.213 1.00 63.11 H new ATOM 0 HD1 TYR A 97 1.485 -8.918 -10.807 1.00 4.11 H new ATOM 0 HD2 TYR A 97 -0.370 -12.571 -11.976 1.00 23.24 H new ATOM 0 HE1 TYR A 97 -0.179 -8.641 -9.024 1.00 75.52 H new ATOM 0 HE2 TYR A 97 -2.040 -12.294 -10.198 1.00 25.24 H new ATOM 0 HH TYR A 97 -2.769 -11.051 -8.525 1.00 23.23 H new ATOM 1498 N GLU A 98 3.171 -13.402 -11.381 1.00 73.03 N ATOM 1499 CA GLU A 98 3.208 -14.497 -10.420 1.00 31.45 C ATOM 1500 C GLU A 98 4.611 -14.669 -9.845 1.00 20.43 C ATOM 1501 O GLU A 98 4.793 -15.299 -8.803 1.00 53.03 O ATOM 1502 CB GLU A 98 2.752 -15.801 -11.079 1.00 51.53 C ATOM 1503 CG GLU A 98 1.329 -16.197 -10.725 1.00 14.34 C ATOM 1504 CD GLU A 98 1.028 -17.647 -11.051 1.00 1.22 C ATOM 1505 OE1 GLU A 98 1.354 -18.081 -12.176 1.00 14.22 O ATOM 1506 OE2 GLU A 98 0.468 -18.347 -10.182 1.00 72.22 O ATOM 0 H GLU A 98 3.138 -13.698 -12.357 1.00 73.03 H new ATOM 0 HA GLU A 98 2.527 -14.253 -9.605 1.00 31.45 H new ATOM 0 HB2 GLU A 98 2.833 -15.699 -12.161 1.00 51.53 H new ATOM 0 HB3 GLU A 98 3.428 -16.603 -10.783 1.00 51.53 H new ATOM 0 HG2 GLU A 98 1.162 -16.026 -9.662 1.00 14.34 H new ATOM 0 HG3 GLU A 98 0.632 -15.555 -11.264 1.00 14.34 H new ATOM 1513 N GLU A 99 5.599 -14.105 -10.532 1.00 61.33 N ATOM 1514 CA GLU A 99 6.986 -14.198 -10.091 1.00 12.42 C ATOM 1515 C GLU A 99 7.305 -13.109 -9.070 1.00 65.12 C ATOM 1516 O GLU A 99 8.165 -13.287 -8.207 1.00 74.12 O ATOM 1517 CB GLU A 99 7.934 -14.085 -11.287 1.00 14.13 C ATOM 1518 CG GLU A 99 9.403 -14.156 -10.907 1.00 42.44 C ATOM 1519 CD GLU A 99 10.011 -12.787 -10.670 1.00 51.32 C ATOM 1520 OE1 GLU A 99 10.776 -12.639 -9.694 1.00 63.23 O ATOM 1521 OE2 GLU A 99 9.721 -11.863 -11.459 1.00 64.54 O ATOM 0 H GLU A 99 5.465 -13.579 -11.396 1.00 61.33 H new ATOM 0 HA GLU A 99 7.126 -15.170 -9.617 1.00 12.42 H new ATOM 0 HB2 GLU A 99 7.711 -14.884 -11.994 1.00 14.13 H new ATOM 0 HB3 GLU A 99 7.746 -13.143 -11.802 1.00 14.13 H new ATOM 0 HG2 GLU A 99 9.513 -14.759 -10.006 1.00 42.44 H new ATOM 0 HG3 GLU A 99 9.955 -14.663 -11.699 1.00 42.44 H new ATOM 1528 N GLN A 100 6.608 -11.983 -9.177 1.00 40.20 N ATOM 1529 CA GLN A 100 6.818 -10.865 -8.265 1.00 24.14 C ATOM 1530 C GLN A 100 5.777 -10.868 -7.151 1.00 34.12 C ATOM 1531 O GLN A 100 6.046 -10.425 -6.033 1.00 73.33 O ATOM 1532 CB GLN A 100 6.764 -9.540 -9.027 1.00 13.14 C ATOM 1533 CG GLN A 100 8.122 -9.063 -9.516 1.00 74.23 C ATOM 1534 CD GLN A 100 9.080 -8.766 -8.380 1.00 64.12 C ATOM 1535 OE1 GLN A 100 8.850 -7.860 -7.579 1.00 32.01 O ATOM 1536 NE2 GLN A 100 10.164 -9.530 -8.305 1.00 10.14 N ATOM 0 H GLN A 100 5.893 -11.820 -9.886 1.00 40.20 H new ATOM 0 HA GLN A 100 7.805 -10.977 -7.815 1.00 24.14 H new ATOM 0 HB2 GLN A 100 6.097 -9.649 -9.882 1.00 13.14 H new ATOM 0 HB3 GLN A 100 6.331 -8.776 -8.381 1.00 13.14 H new ATOM 0 HG2 GLN A 100 8.558 -9.823 -10.164 1.00 74.23 H new ATOM 0 HG3 GLN A 100 7.992 -8.165 -10.120 1.00 74.23 H new ATOM 0 HE21 GLN A 100 10.315 -10.270 -8.991 1.00 10.14 H new ATOM 0 HE22 GLN A 100 10.846 -9.377 -7.562 1.00 10.14 H new ATOM 1545 N LEU A 101 4.586 -11.369 -7.462 1.00 65.42 N ATOM 1546 CA LEU A 101 3.503 -11.430 -6.487 1.00 51.04 C ATOM 1547 C LEU A 101 3.953 -12.143 -5.216 1.00 42.41 C ATOM 1548 O LEU A 101 3.707 -11.671 -4.106 1.00 54.40 O ATOM 1549 CB LEU A 101 2.292 -12.147 -7.086 1.00 35.22 C ATOM 1550 CG LEU A 101 1.120 -12.395 -6.134 1.00 43.44 C ATOM 1551 CD1 LEU A 101 0.294 -11.129 -5.965 1.00 73.41 C ATOM 1552 CD2 LEU A 101 0.253 -13.537 -6.642 1.00 54.24 C ATOM 0 H LEU A 101 4.346 -11.739 -8.382 1.00 65.42 H new ATOM 0 HA LEU A 101 3.222 -10.409 -6.228 1.00 51.04 H new ATOM 0 HB2 LEU A 101 1.930 -11.562 -7.931 1.00 35.22 H new ATOM 0 HB3 LEU A 101 2.622 -13.107 -7.481 1.00 35.22 H new ATOM 0 HG LEU A 101 1.520 -12.676 -5.160 1.00 43.44 H new ATOM 0 HD11 LEU A 101 -0.535 -11.324 -5.285 1.00 73.41 H new ATOM 0 HD12 LEU A 101 0.921 -10.337 -5.555 1.00 73.41 H new ATOM 0 HD13 LEU A 101 -0.097 -10.818 -6.934 1.00 73.41 H new ATOM 0 HD21 LEU A 101 -0.576 -13.699 -5.953 1.00 54.24 H new ATOM 0 HD22 LEU A 101 -0.139 -13.286 -7.628 1.00 54.24 H new ATOM 0 HD23 LEU A 101 0.851 -14.445 -6.710 1.00 54.24 H new ATOM 1564 N LYS A 102 4.617 -13.281 -5.386 1.00 31.12 N ATOM 1565 CA LYS A 102 5.106 -14.058 -4.253 1.00 71.32 C ATOM 1566 C LYS A 102 6.174 -13.287 -3.485 1.00 22.13 C ATOM 1567 O LYS A 102 6.170 -13.261 -2.254 1.00 55.34 O ATOM 1568 CB LYS A 102 5.674 -15.396 -4.733 1.00 54.13 C ATOM 1569 CG LYS A 102 6.749 -15.254 -5.797 1.00 13.24 C ATOM 1570 CD LYS A 102 8.142 -15.365 -5.200 1.00 34.23 C ATOM 1571 CE LYS A 102 9.047 -16.237 -6.056 1.00 41.14 C ATOM 1572 NZ LYS A 102 10.303 -16.601 -5.344 1.00 10.44 N ATOM 0 H LYS A 102 4.829 -13.686 -6.298 1.00 31.12 H new ATOM 0 HA LYS A 102 4.266 -14.246 -3.584 1.00 71.32 H new ATOM 0 HB2 LYS A 102 6.088 -15.933 -3.879 1.00 54.13 H new ATOM 0 HB3 LYS A 102 4.861 -16.005 -5.129 1.00 54.13 H new ATOM 0 HG2 LYS A 102 6.615 -16.025 -6.556 1.00 13.24 H new ATOM 0 HG3 LYS A 102 6.642 -14.292 -6.297 1.00 13.24 H new ATOM 0 HD2 LYS A 102 8.578 -14.371 -5.104 1.00 34.23 H new ATOM 0 HD3 LYS A 102 8.076 -15.783 -4.195 1.00 34.23 H new ATOM 0 HE2 LYS A 102 8.514 -17.145 -6.339 1.00 41.14 H new ATOM 0 HE3 LYS A 102 9.292 -15.710 -6.978 1.00 41.14 H new ATOM 0 HZ1 LYS A 102 10.892 -17.195 -5.961 1.00 10.44 H new ATOM 0 HZ2 LYS A 102 10.824 -15.736 -5.096 1.00 10.44 H new ATOM 0 HZ3 LYS A 102 10.071 -17.126 -4.477 1.00 10.44 H new ATOM 1586 N ALA A 103 7.087 -12.660 -4.218 1.00 44.44 N ATOM 1587 CA ALA A 103 8.159 -11.885 -3.605 1.00 43.05 C ATOM 1588 C ALA A 103 7.602 -10.850 -2.634 1.00 43.44 C ATOM 1589 O ALA A 103 8.236 -10.523 -1.631 1.00 71.22 O ATOM 1590 CB ALA A 103 9.000 -11.207 -4.677 1.00 63.53 C ATOM 0 H ALA A 103 7.106 -12.673 -5.238 1.00 44.44 H new ATOM 0 HA ALA A 103 8.792 -12.570 -3.041 1.00 43.05 H new ATOM 0 HB1 ALA A 103 9.797 -10.632 -4.205 1.00 63.53 H new ATOM 0 HB2 ALA A 103 9.436 -11.963 -5.330 1.00 63.53 H new ATOM 0 HB3 ALA A 103 8.370 -10.540 -5.265 1.00 63.53 H new ATOM 1596 N GLN A 104 6.415 -10.337 -2.940 1.00 52.12 N ATOM 1597 CA GLN A 104 5.774 -9.337 -2.094 1.00 21.10 C ATOM 1598 C GLN A 104 4.582 -9.934 -1.354 1.00 14.22 C ATOM 1599 O GLN A 104 3.697 -9.210 -0.897 1.00 21.41 O ATOM 1600 CB GLN A 104 5.322 -8.142 -2.934 1.00 52.51 C ATOM 1601 CG GLN A 104 6.367 -7.669 -3.932 1.00 13.11 C ATOM 1602 CD GLN A 104 6.630 -6.179 -3.840 1.00 14.31 C ATOM 1603 OE1 GLN A 104 5.702 -5.380 -3.701 1.00 63.53 O ATOM 1604 NE2 GLN A 104 7.899 -5.795 -3.917 1.00 34.35 N ATOM 0 H GLN A 104 5.878 -10.597 -3.767 1.00 52.12 H new ATOM 0 HA GLN A 104 6.503 -8.999 -1.358 1.00 21.10 H new ATOM 0 HB2 GLN A 104 4.413 -8.410 -3.472 1.00 52.51 H new ATOM 0 HB3 GLN A 104 5.067 -7.317 -2.269 1.00 52.51 H new ATOM 0 HG2 GLN A 104 7.298 -8.210 -3.761 1.00 13.11 H new ATOM 0 HG3 GLN A 104 6.037 -7.914 -4.941 1.00 13.11 H new ATOM 0 HE21 GLN A 104 8.636 -6.490 -4.032 1.00 34.35 H new ATOM 0 HE22 GLN A 104 8.136 -4.805 -3.861 1.00 34.35 H new ATOM 1613 N ALA A 105 4.564 -11.258 -1.240 1.00 5.23 N ATOM 1614 CA ALA A 105 3.482 -11.951 -0.554 1.00 35.44 C ATOM 1615 C ALA A 105 4.012 -12.782 0.610 1.00 71.31 C ATOM 1616 O ALA A 105 3.386 -13.757 1.026 1.00 43.43 O ATOM 1617 CB ALA A 105 2.718 -12.834 -1.530 1.00 11.11 C ATOM 0 H ALA A 105 5.287 -11.872 -1.614 1.00 5.23 H new ATOM 0 HA ALA A 105 2.802 -11.201 -0.150 1.00 35.44 H new ATOM 0 HB1 ALA A 105 1.912 -13.346 -1.004 1.00 11.11 H new ATOM 0 HB2 ALA A 105 2.298 -12.218 -2.326 1.00 11.11 H new ATOM 0 HB3 ALA A 105 3.396 -13.571 -1.961 1.00 11.11 H new ATOM 1623 N GLY A 106 5.171 -12.391 1.131 1.00 13.43 N ATOM 1624 CA GLY A 106 5.766 -13.111 2.242 1.00 71.05 C ATOM 1625 C GLY A 106 6.531 -14.340 1.792 1.00 73.02 C ATOM 1626 O GLY A 106 6.785 -15.246 2.584 1.00 32.12 O ATOM 0 H GLY A 106 5.709 -11.588 0.804 1.00 13.43 H new ATOM 0 HA2 GLY A 106 6.439 -12.446 2.784 1.00 71.05 H new ATOM 0 HA3 GLY A 106 4.983 -13.409 2.939 1.00 71.05 H new ATOM 1630 N GLY A 107 6.898 -14.372 0.514 1.00 32.42 N ATOM 1631 CA GLY A 107 7.633 -15.505 -0.018 1.00 54.11 C ATOM 1632 C GLY A 107 6.721 -16.640 -0.443 1.00 5.54 C ATOM 1633 O GLY A 107 6.909 -17.785 -0.030 1.00 51.23 O ATOM 0 H GLY A 107 6.700 -13.634 -0.162 1.00 32.42 H new ATOM 0 HA2 GLY A 107 8.226 -15.180 -0.873 1.00 54.11 H new ATOM 0 HA3 GLY A 107 8.332 -15.867 0.736 1.00 54.11 H new ATOM 1637 N THR A 108 5.729 -16.322 -1.269 1.00 23.42 N ATOM 1638 CA THR A 108 4.784 -17.323 -1.747 1.00 54.21 C ATOM 1639 C THR A 108 3.925 -17.858 -0.607 1.00 5.15 C ATOM 1640 O THR A 108 3.977 -19.043 -0.282 1.00 70.41 O ATOM 1641 CB THR A 108 5.508 -18.501 -2.426 1.00 54.21 C ATOM 1642 OG1 THR A 108 6.682 -18.032 -3.099 1.00 34.23 O ATOM 1643 CG2 THR A 108 4.592 -19.198 -3.420 1.00 74.24 C ATOM 0 H THR A 108 5.560 -15.380 -1.620 1.00 23.42 H new ATOM 0 HA THR A 108 4.145 -16.829 -2.479 1.00 54.21 H new ATOM 0 HB THR A 108 5.793 -19.217 -1.655 1.00 54.21 H new ATOM 0 HG1 THR A 108 7.138 -18.787 -3.527 1.00 34.23 H new ATOM 0 HG21 THR A 108 5.125 -20.026 -3.887 1.00 74.24 H new ATOM 0 HG22 THR A 108 3.713 -19.579 -2.900 1.00 74.24 H new ATOM 0 HG23 THR A 108 4.280 -18.489 -4.187 1.00 74.24 H new ATOM 1651 N ASN A 109 3.136 -16.976 -0.002 1.00 1.00 N ATOM 1652 CA ASN A 109 2.266 -17.361 1.103 1.00 12.33 C ATOM 1653 C ASN A 109 3.053 -18.093 2.186 1.00 72.33 C ATOM 1654 O ASN A 109 2.520 -18.967 2.870 1.00 44.24 O ATOM 1655 CB ASN A 109 1.126 -18.247 0.598 1.00 70.25 C ATOM 1656 CG ASN A 109 0.581 -17.782 -0.739 1.00 13.52 C ATOM 1657 OD1 ASN A 109 0.071 -16.668 -0.860 1.00 13.45 O ATOM 1658 ND2 ASN A 109 0.686 -18.635 -1.750 1.00 62.25 N ATOM 0 H ASN A 109 3.081 -15.990 -0.258 1.00 1.00 H new ATOM 0 HA ASN A 109 1.846 -16.453 1.535 1.00 12.33 H new ATOM 0 HB2 ASN A 109 1.481 -19.273 0.505 1.00 70.25 H new ATOM 0 HB3 ASN A 109 0.321 -18.253 1.333 1.00 70.25 H new ATOM 0 HD21 ASN A 109 0.337 -18.377 -2.673 1.00 62.25 H new ATOM 0 HD22 ASN A 109 1.116 -19.548 -1.604 1.00 62.25 H new ATOM 1665 N GLU A 110 4.323 -17.730 2.335 1.00 51.02 N ATOM 1666 CA GLU A 110 5.183 -18.353 3.334 1.00 72.30 C ATOM 1667 C GLU A 110 5.571 -17.352 4.418 1.00 22.12 C ATOM 1668 O GLU A 110 5.054 -17.399 5.534 1.00 55.45 O ATOM 1669 CB GLU A 110 6.441 -18.920 2.674 1.00 62.42 C ATOM 1670 CG GLU A 110 7.012 -20.131 3.392 1.00 24.42 C ATOM 1671 CD GLU A 110 8.273 -20.659 2.735 1.00 51.13 C ATOM 1672 OE1 GLU A 110 8.576 -20.227 1.603 1.00 41.03 O ATOM 1673 OE2 GLU A 110 8.956 -21.503 3.351 1.00 33.13 O ATOM 0 H GLU A 110 4.779 -17.008 1.777 1.00 51.02 H new ATOM 0 HA GLU A 110 4.627 -19.167 3.798 1.00 72.30 H new ATOM 0 HB2 GLU A 110 6.209 -19.194 1.645 1.00 62.42 H new ATOM 0 HB3 GLU A 110 7.202 -18.141 2.632 1.00 62.42 H new ATOM 0 HG2 GLU A 110 7.230 -19.866 4.427 1.00 24.42 H new ATOM 0 HG3 GLU A 110 6.262 -20.921 3.417 1.00 24.42 H new TER 1680 GLU A 110