USER MOD reduce.3.24.130724 H: found=0, std=0, add=963, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 958 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 110 SER OG : rot 88:sc= 1.26 USER MOD Set 1.2: A 114 THR OG1 : rot 180:sc= 0.0534 USER MOD Set 2.1: A 81 ASN :FLIP amide:sc= -0.0397 F(o=-4.7,f=-4.2) USER MOD Set 2.2: A 98 HIS :FLIP no HD1:sc= -4.13! C(o=-6.4!,f=-4.2!) USER MOD Set 3.1: A 56 THR OG1 : rot -111:sc= -1.19 USER MOD Set 3.2: A 59 GLN : amide:sc= -2.19! C(o=-3.4!,f=-6.1!) USER MOD Single : A 1 MET CE :methyl 144:sc= -1.96! (180deg=-3.95!) USER MOD Single : A 1 MET N :NH3+ 136:sc= 0.02 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -167:sc= -0.031 (180deg=-0.252) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.0817 USER MOD Single : A 6 LYS NZ :NH3+ 152:sc= -0.278 (180deg=-1.2!) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -130:sc= -1.45 (180deg=-3.94!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 170:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.349 X(o=-0.35,f=-0.029) USER MOD Single : A 33 CYS SG : rot 150:sc= -5.13 USER MOD Single : A 35 LYS NZ :NH3+ -135:sc= -0.0121 (180deg=-0.96) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= -1.55! USER MOD Single : A 46 LYS NZ :NH3+ 155:sc= -0.11 (180deg=-0.674) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot -121:sc= -0.17 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -130:sc= -0.292 (180deg=-2.3!) USER MOD Single : A 69 MET CE :methyl 159:sc= -0.136 (180deg=-0.971) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot -8:sc= -0.903! USER MOD Single : A 91 MET CE :methyl -158:sc= -0.0153 (180deg=-0.594) USER MOD Single : A 92 SER OG : rot 160:sc= -0.47 USER MOD Single : A 95 TYR OH : rot 82:sc= 0.825 USER MOD Single : A 96 GLN : amide:sc= -1.33 K(o=-1.3,f=-1.9) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot 180:sc= -0.237 USER MOD Single : A 109 TYR OH : rot 30:sc= -0.784 USER MOD Single : A 113 ASN : amide:sc= -0.569 K(o=-0.57,f=-1.6) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.171 2.597 1.875 1.00 55.23 N ATOM 2 CA MET A 1 -2.484 3.319 0.818 1.00 44.21 C ATOM 3 C MET A 1 -1.051 2.809 0.647 1.00 33.25 C ATOM 4 O MET A 1 -0.377 2.501 1.629 1.00 34.23 O ATOM 5 CB MET A 1 -2.457 4.812 1.153 1.00 75.14 C ATOM 6 CG MET A 1 -3.744 5.500 0.692 1.00 34.42 C ATOM 7 SD MET A 1 -3.556 6.090 -0.982 1.00 30.22 S ATOM 8 CE MET A 1 -3.872 4.580 -1.880 1.00 62.01 C ATOM 0 H1 MET A 1 -3.697 3.269 2.469 1.00 55.23 H new ATOM 0 H2 MET A 1 -3.833 1.914 1.455 1.00 55.23 H new ATOM 0 H3 MET A 1 -2.475 2.090 2.458 1.00 55.23 H new ATOM 0 HA MET A 1 -3.022 3.156 -0.116 1.00 44.21 H new ATOM 0 HB2 MET A 1 -2.334 4.945 2.228 1.00 75.14 H new ATOM 0 HB3 MET A 1 -1.598 5.281 0.673 1.00 75.14 H new ATOM 0 HG2 MET A 1 -4.579 4.802 0.749 1.00 34.42 H new ATOM 0 HG3 MET A 1 -3.979 6.332 1.355 1.00 34.42 H new ATOM 0 HE1 MET A 1 -4.410 4.809 -2.800 1.00 62.01 H new ATOM 0 HE2 MET A 1 -2.926 4.097 -2.124 1.00 62.01 H new ATOM 0 HE3 MET A 1 -4.473 3.910 -1.265 1.00 62.01 H new ATOM 18 N LYS A 2 -0.629 2.735 -0.606 1.00 4.10 N ATOM 19 CA LYS A 2 0.711 2.267 -0.918 1.00 4.44 C ATOM 20 C LYS A 2 1.555 3.443 -1.414 1.00 52.42 C ATOM 21 O LYS A 2 1.081 4.578 -1.456 1.00 71.33 O ATOM 22 CB LYS A 2 0.655 1.094 -1.898 1.00 31.13 C ATOM 23 CG LYS A 2 -0.547 1.220 -2.836 1.00 12.52 C ATOM 24 CD LYS A 2 -0.455 0.213 -3.984 1.00 34.04 C ATOM 25 CE LYS A 2 -1.557 0.457 -5.017 1.00 33.13 C ATOM 26 NZ LYS A 2 -2.890 0.411 -4.374 1.00 3.21 N ATOM 0 H LYS A 2 -1.191 2.991 -1.418 1.00 4.10 H new ATOM 0 HA LYS A 2 1.197 1.880 -0.022 1.00 4.44 H new ATOM 0 HB2 LYS A 2 1.575 1.059 -2.482 1.00 31.13 H new ATOM 0 HB3 LYS A 2 0.593 0.156 -1.345 1.00 31.13 H new ATOM 0 HG2 LYS A 2 -1.468 1.056 -2.277 1.00 12.52 H new ATOM 0 HG3 LYS A 2 -0.594 2.232 -3.238 1.00 12.52 H new ATOM 0 HD2 LYS A 2 0.521 0.290 -4.463 1.00 34.04 H new ATOM 0 HD3 LYS A 2 -0.538 -0.800 -3.591 1.00 34.04 H new ATOM 0 HE2 LYS A 2 -1.409 1.427 -5.493 1.00 33.13 H new ATOM 0 HE3 LYS A 2 -1.500 -0.296 -5.803 1.00 33.13 H new ATOM 0 HZ1 LYS A 2 -3.627 0.357 -5.106 1.00 3.21 H new ATOM 0 HZ2 LYS A 2 -2.950 -0.426 -3.760 1.00 3.21 H new ATOM 0 HZ3 LYS A 2 -3.030 1.270 -3.804 1.00 3.21 H new ATOM 39 N SER A 3 2.790 3.132 -1.778 1.00 2.31 N ATOM 40 CA SER A 3 3.704 4.149 -2.270 1.00 40.21 C ATOM 41 C SER A 3 3.312 4.562 -3.690 1.00 61.34 C ATOM 42 O SER A 3 2.771 3.757 -4.447 1.00 54.32 O ATOM 43 CB SER A 3 5.150 3.650 -2.242 1.00 40.22 C ATOM 44 OG SER A 3 5.619 3.446 -0.912 1.00 34.50 O ATOM 0 H SER A 3 3.179 2.190 -1.742 1.00 2.31 H new ATOM 0 HA SER A 3 3.635 5.017 -1.614 1.00 40.21 H new ATOM 0 HB2 SER A 3 5.222 2.716 -2.799 1.00 40.22 H new ATOM 0 HB3 SER A 3 5.792 4.372 -2.746 1.00 40.22 H new ATOM 0 HG SER A 3 6.545 3.126 -0.937 1.00 34.50 H new ATOM 50 N THR A 4 3.601 5.815 -4.009 1.00 61.23 N ATOM 51 CA THR A 4 3.286 6.344 -5.325 1.00 72.13 C ATOM 52 C THR A 4 4.498 6.229 -6.251 1.00 25.11 C ATOM 53 O THR A 4 4.356 6.256 -7.472 1.00 64.14 O ATOM 54 CB THR A 4 2.789 7.780 -5.151 1.00 14.23 C ATOM 55 OG1 THR A 4 3.624 8.315 -4.127 1.00 70.34 O ATOM 56 CG2 THR A 4 1.381 7.844 -4.554 1.00 2.30 C ATOM 0 H THR A 4 4.050 6.479 -3.379 1.00 61.23 H new ATOM 0 HA THR A 4 2.495 5.767 -5.804 1.00 72.13 H new ATOM 0 HB THR A 4 2.798 8.286 -6.116 1.00 14.23 H new ATOM 0 HG1 THR A 4 3.371 9.245 -3.952 1.00 70.34 H new ATOM 0 HG21 THR A 4 1.076 8.886 -4.451 1.00 2.30 H new ATOM 0 HG22 THR A 4 0.683 7.325 -5.211 1.00 2.30 H new ATOM 0 HG23 THR A 4 1.379 7.367 -3.574 1.00 2.30 H new ATOM 64 N PHE A 5 5.664 6.103 -5.634 1.00 30.04 N ATOM 65 CA PHE A 5 6.901 5.984 -6.387 1.00 32.22 C ATOM 66 C PHE A 5 6.738 5.012 -7.558 1.00 4.15 C ATOM 67 O PHE A 5 7.433 5.128 -8.566 1.00 54.43 O ATOM 68 CB PHE A 5 7.958 5.435 -5.427 1.00 30.22 C ATOM 69 CG PHE A 5 7.914 3.915 -5.256 1.00 61.10 C ATOM 70 CD1 PHE A 5 6.759 3.306 -4.876 1.00 54.43 C ATOM 71 CD2 PHE A 5 9.031 3.172 -5.484 1.00 14.51 C ATOM 72 CE1 PHE A 5 6.718 1.896 -4.718 1.00 31.12 C ATOM 73 CE2 PHE A 5 8.990 1.762 -5.325 1.00 71.13 C ATOM 74 CZ PHE A 5 7.834 1.153 -4.946 1.00 3.44 C ATOM 0 H PHE A 5 5.778 6.081 -4.621 1.00 30.04 H new ATOM 0 HA PHE A 5 7.185 6.955 -6.792 1.00 32.22 H new ATOM 0 HB2 PHE A 5 8.946 5.721 -5.788 1.00 30.22 H new ATOM 0 HB3 PHE A 5 7.827 5.904 -4.452 1.00 30.22 H new ATOM 0 HD1 PHE A 5 5.872 3.895 -4.694 1.00 54.43 H new ATOM 0 HD2 PHE A 5 9.949 3.655 -5.786 1.00 14.51 H new ATOM 0 HE1 PHE A 5 5.800 1.413 -4.417 1.00 31.12 H new ATOM 0 HE2 PHE A 5 9.877 1.172 -5.505 1.00 71.13 H new ATOM 0 HZ PHE A 5 7.803 0.080 -4.826 1.00 3.44 H new ATOM 84 N LYS A 6 5.817 4.076 -7.384 1.00 63.43 N ATOM 85 CA LYS A 6 5.555 3.084 -8.414 1.00 11.51 C ATOM 86 C LYS A 6 5.001 3.782 -9.658 1.00 33.03 C ATOM 87 O LYS A 6 5.436 3.506 -10.775 1.00 20.35 O ATOM 88 CB LYS A 6 4.647 1.978 -7.873 1.00 71.03 C ATOM 89 CG LYS A 6 3.294 2.544 -7.436 1.00 61.51 C ATOM 90 CD LYS A 6 2.296 2.537 -8.596 1.00 64.10 C ATOM 91 CE LYS A 6 1.540 1.209 -8.661 1.00 32.32 C ATOM 92 NZ LYS A 6 0.806 0.968 -7.398 1.00 54.34 N ATOM 0 H LYS A 6 5.243 3.983 -6.546 1.00 63.43 H new ATOM 0 HA LYS A 6 6.479 2.589 -8.711 1.00 11.51 H new ATOM 0 HB2 LYS A 6 4.497 1.218 -8.640 1.00 71.03 H new ATOM 0 HB3 LYS A 6 5.130 1.487 -7.028 1.00 71.03 H new ATOM 0 HG2 LYS A 6 2.899 1.954 -6.609 1.00 61.51 H new ATOM 0 HG3 LYS A 6 3.423 3.562 -7.069 1.00 61.51 H new ATOM 0 HD2 LYS A 6 1.588 3.357 -8.476 1.00 64.10 H new ATOM 0 HD3 LYS A 6 2.823 2.706 -9.535 1.00 64.10 H new ATOM 0 HE2 LYS A 6 0.841 1.222 -9.498 1.00 32.32 H new ATOM 0 HE3 LYS A 6 2.240 0.394 -8.843 1.00 32.32 H new ATOM 0 HZ1 LYS A 6 -0.030 0.379 -7.589 1.00 54.34 H new ATOM 0 HZ2 LYS A 6 1.428 0.478 -6.723 1.00 54.34 H new ATOM 0 HZ3 LYS A 6 0.504 1.877 -6.993 1.00 54.34 H new ATOM 105 N SER A 7 4.049 4.673 -9.423 1.00 35.33 N ATOM 106 CA SER A 7 3.430 5.412 -10.510 1.00 63.12 C ATOM 107 C SER A 7 4.034 6.815 -10.599 1.00 20.00 C ATOM 108 O SER A 7 4.662 7.162 -11.598 1.00 11.40 O ATOM 109 CB SER A 7 1.914 5.497 -10.326 1.00 11.30 C ATOM 110 OG SER A 7 1.356 6.621 -11.002 1.00 4.22 O ATOM 0 H SER A 7 3.691 4.900 -8.495 1.00 35.33 H new ATOM 0 HA SER A 7 3.626 4.879 -11.441 1.00 63.12 H new ATOM 0 HB2 SER A 7 1.452 4.583 -10.699 1.00 11.30 H new ATOM 0 HB3 SER A 7 1.681 5.561 -9.263 1.00 11.30 H new ATOM 0 HG SER A 7 0.386 6.639 -10.862 1.00 4.22 H new ATOM 116 N GLU A 8 3.823 7.583 -9.541 1.00 13.35 N ATOM 117 CA GLU A 8 4.338 8.941 -9.486 1.00 62.22 C ATOM 118 C GLU A 8 5.735 9.003 -10.108 1.00 11.42 C ATOM 119 O GLU A 8 6.099 10.002 -10.727 1.00 14.45 O ATOM 120 CB GLU A 8 4.354 9.464 -8.049 1.00 11.23 C ATOM 121 CG GLU A 8 3.036 10.162 -7.705 1.00 23.23 C ATOM 122 CD GLU A 8 1.843 9.386 -8.265 1.00 34.31 C ATOM 123 OE1 GLU A 8 1.679 8.195 -7.959 1.00 54.25 O ATOM 124 OE2 GLU A 8 1.069 10.063 -9.043 1.00 55.33 O ATOM 0 H GLU A 8 3.302 7.291 -8.714 1.00 13.35 H new ATOM 0 HA GLU A 8 3.675 9.585 -10.064 1.00 62.22 H new ATOM 0 HB2 GLU A 8 4.523 8.637 -7.359 1.00 11.23 H new ATOM 0 HB3 GLU A 8 5.183 10.160 -7.921 1.00 11.23 H new ATOM 0 HG2 GLU A 8 2.940 10.253 -6.623 1.00 23.23 H new ATOM 0 HG3 GLU A 8 3.039 11.174 -8.111 1.00 23.23 H new ATOM 132 N TYR A 9 6.480 7.924 -9.922 1.00 34.54 N ATOM 133 CA TYR A 9 7.828 7.843 -10.456 1.00 43.24 C ATOM 134 C TYR A 9 8.006 6.585 -11.308 1.00 63.14 C ATOM 135 O TYR A 9 8.326 5.518 -10.787 1.00 20.21 O ATOM 136 CB TYR A 9 8.758 7.760 -9.244 1.00 62.33 C ATOM 137 CG TYR A 9 9.224 9.120 -8.723 1.00 0.44 C ATOM 138 CD1 TYR A 9 9.694 10.073 -9.603 1.00 52.34 C ATOM 139 CD2 TYR A 9 9.174 9.395 -7.371 1.00 4.01 C ATOM 140 CE1 TYR A 9 10.132 11.354 -9.112 1.00 63.13 C ATOM 141 CE2 TYR A 9 9.613 10.676 -6.880 1.00 31.33 C ATOM 142 CZ TYR A 9 10.070 11.592 -7.775 1.00 22.13 C ATOM 143 OH TYR A 9 10.484 12.801 -7.311 1.00 3.51 O ATOM 0 H TYR A 9 6.175 7.097 -9.408 1.00 34.54 H new ATOM 0 HA TYR A 9 8.042 8.704 -11.089 1.00 43.24 H new ATOM 0 HB2 TYR A 9 8.245 7.231 -8.441 1.00 62.33 H new ATOM 0 HB3 TYR A 9 9.632 7.165 -9.510 1.00 62.33 H new ATOM 0 HD1 TYR A 9 9.733 9.858 -10.661 1.00 52.34 H new ATOM 0 HD2 TYR A 9 8.806 8.650 -6.682 1.00 4.01 H new ATOM 0 HE1 TYR A 9 10.501 12.109 -9.791 1.00 63.13 H new ATOM 0 HE2 TYR A 9 9.580 10.904 -5.825 1.00 31.33 H new ATOM 0 HH TYR A 9 10.382 12.830 -6.337 1.00 3.51 H new ATOM 153 N PRO A 10 7.786 6.756 -12.639 1.00 53.15 N ATOM 154 CA PRO A 10 7.918 5.647 -13.569 1.00 4.12 C ATOM 155 C PRO A 10 9.391 5.315 -13.820 1.00 52.52 C ATOM 156 O PRO A 10 10.278 6.053 -13.394 1.00 64.21 O ATOM 157 CB PRO A 10 7.188 6.096 -14.824 1.00 11.01 C ATOM 158 CG PRO A 10 7.075 7.608 -14.722 1.00 43.51 C ATOM 159 CD PRO A 10 7.406 8.005 -13.293 1.00 14.34 C ATOM 0 HA PRO A 10 7.488 4.722 -13.184 1.00 4.12 H new ATOM 0 HB2 PRO A 10 7.736 5.805 -15.720 1.00 11.01 H new ATOM 0 HB3 PRO A 10 6.203 5.634 -14.889 1.00 11.01 H new ATOM 0 HG2 PRO A 10 7.759 8.090 -15.420 1.00 43.51 H new ATOM 0 HG3 PRO A 10 6.069 7.934 -14.985 1.00 43.51 H new ATOM 0 HD2 PRO A 10 8.218 8.731 -13.262 1.00 14.34 H new ATOM 0 HD3 PRO A 10 6.549 8.465 -12.801 1.00 14.34 H new ATOM 167 N PHE A 11 9.605 4.205 -14.511 1.00 54.42 N ATOM 168 CA PHE A 11 10.954 3.767 -14.825 1.00 0.24 C ATOM 169 C PHE A 11 11.756 4.891 -15.485 1.00 30.42 C ATOM 170 O PHE A 11 12.798 5.297 -14.974 1.00 1.44 O ATOM 171 CB PHE A 11 10.829 2.601 -15.807 1.00 33.22 C ATOM 172 CG PHE A 11 12.167 1.969 -16.197 1.00 13.32 C ATOM 173 CD1 PHE A 11 13.006 2.623 -17.044 1.00 2.35 C ATOM 174 CD2 PHE A 11 12.516 0.754 -15.697 1.00 24.14 C ATOM 175 CE1 PHE A 11 14.248 2.037 -17.405 1.00 50.24 C ATOM 176 CE2 PHE A 11 13.758 0.168 -16.058 1.00 61.25 C ATOM 177 CZ PHE A 11 14.598 0.822 -16.905 1.00 73.22 C ATOM 0 H PHE A 11 8.866 3.596 -14.862 1.00 54.42 H new ATOM 0 HA PHE A 11 11.472 3.475 -13.912 1.00 0.24 H new ATOM 0 HB2 PHE A 11 10.192 1.835 -15.366 1.00 33.22 H new ATOM 0 HB3 PHE A 11 10.328 2.951 -16.709 1.00 33.22 H new ATOM 0 HD1 PHE A 11 12.728 3.588 -17.442 1.00 2.35 H new ATOM 0 HD2 PHE A 11 11.849 0.234 -15.025 1.00 24.14 H new ATOM 0 HE1 PHE A 11 14.915 2.557 -18.077 1.00 50.24 H new ATOM 0 HE2 PHE A 11 14.036 -0.797 -15.660 1.00 61.25 H new ATOM 0 HZ PHE A 11 15.542 0.376 -17.180 1.00 73.22 H new ATOM 187 N GLU A 12 11.239 5.360 -16.611 1.00 4.11 N ATOM 188 CA GLU A 12 11.894 6.428 -17.346 1.00 43.44 C ATOM 189 C GLU A 12 12.389 7.510 -16.384 1.00 22.33 C ATOM 190 O GLU A 12 13.572 7.849 -16.381 1.00 15.05 O ATOM 191 CB GLU A 12 10.959 7.021 -18.402 1.00 72.22 C ATOM 192 CG GLU A 12 10.841 6.093 -19.613 1.00 35.32 C ATOM 193 CD GLU A 12 9.838 6.642 -20.629 1.00 54.42 C ATOM 194 OE1 GLU A 12 8.774 7.147 -20.240 1.00 32.21 O ATOM 195 OE2 GLU A 12 10.196 6.533 -21.863 1.00 65.34 O ATOM 0 H GLU A 12 10.374 5.020 -17.032 1.00 4.11 H new ATOM 0 HA GLU A 12 12.756 6.008 -17.865 1.00 43.44 H new ATOM 0 HB2 GLU A 12 9.973 7.186 -17.968 1.00 72.22 H new ATOM 0 HB3 GLU A 12 11.334 7.994 -18.720 1.00 72.22 H new ATOM 0 HG2 GLU A 12 11.817 5.979 -20.085 1.00 35.32 H new ATOM 0 HG3 GLU A 12 10.528 5.101 -19.287 1.00 35.32 H new ATOM 203 N LYS A 13 11.460 8.021 -15.590 1.00 73.10 N ATOM 204 CA LYS A 13 11.787 9.057 -14.625 1.00 34.21 C ATOM 205 C LYS A 13 12.922 8.568 -13.723 1.00 72.32 C ATOM 206 O LYS A 13 13.994 9.169 -13.688 1.00 22.12 O ATOM 207 CB LYS A 13 10.535 9.489 -13.858 1.00 41.24 C ATOM 208 CG LYS A 13 10.651 10.942 -13.394 1.00 44.50 C ATOM 209 CD LYS A 13 10.094 11.901 -14.448 1.00 42.22 C ATOM 210 CE LYS A 13 11.059 12.040 -15.628 1.00 33.42 C ATOM 211 NZ LYS A 13 10.761 11.025 -16.663 1.00 35.31 N ATOM 0 H LYS A 13 10.480 7.737 -15.595 1.00 73.10 H new ATOM 0 HA LYS A 13 12.146 9.952 -15.134 1.00 34.21 H new ATOM 0 HB2 LYS A 13 9.657 9.376 -14.494 1.00 41.24 H new ATOM 0 HB3 LYS A 13 10.390 8.838 -12.996 1.00 41.24 H new ATOM 0 HG2 LYS A 13 10.110 11.072 -12.457 1.00 44.50 H new ATOM 0 HG3 LYS A 13 11.696 11.182 -13.195 1.00 44.50 H new ATOM 0 HD2 LYS A 13 9.130 11.537 -14.803 1.00 42.22 H new ATOM 0 HD3 LYS A 13 9.920 12.879 -13.999 1.00 42.22 H new ATOM 0 HE2 LYS A 13 10.978 13.039 -16.056 1.00 33.42 H new ATOM 0 HE3 LYS A 13 12.086 11.924 -15.281 1.00 33.42 H new ATOM 0 HZ1 LYS A 13 11.637 10.531 -16.928 1.00 35.31 H new ATOM 0 HZ2 LYS A 13 10.076 10.338 -16.288 1.00 35.31 H new ATOM 0 HZ3 LYS A 13 10.360 11.492 -17.501 1.00 35.31 H new ATOM 224 N ARG A 14 12.647 7.481 -13.016 1.00 52.33 N ATOM 225 CA ARG A 14 13.632 6.905 -12.117 1.00 34.50 C ATOM 226 C ARG A 14 15.022 6.950 -12.753 1.00 4.31 C ATOM 227 O ARG A 14 16.001 7.294 -12.091 1.00 34.31 O ATOM 228 CB ARG A 14 13.282 5.455 -11.774 1.00 64.15 C ATOM 229 CG ARG A 14 12.037 5.386 -10.888 1.00 71.44 C ATOM 230 CD ARG A 14 12.398 5.603 -9.418 1.00 14.35 C ATOM 231 NE ARG A 14 12.890 4.340 -8.825 1.00 21.31 N ATOM 232 CZ ARG A 14 12.091 3.323 -8.438 1.00 14.23 C ATOM 233 NH1 ARG A 14 10.751 3.414 -8.578 1.00 31.42 N ATOM 234 NH2 ARG A 14 12.638 2.240 -7.920 1.00 24.41 N ATOM 0 H ARG A 14 11.756 6.985 -13.048 1.00 52.33 H new ATOM 0 HA ARG A 14 13.630 7.495 -11.200 1.00 34.50 H new ATOM 0 HB2 ARG A 14 13.111 4.892 -12.691 1.00 64.15 H new ATOM 0 HB3 ARG A 14 14.123 4.985 -11.263 1.00 64.15 H new ATOM 0 HG2 ARG A 14 11.318 6.142 -11.205 1.00 71.44 H new ATOM 0 HG3 ARG A 14 11.554 4.416 -11.008 1.00 71.44 H new ATOM 0 HD2 ARG A 14 13.162 6.376 -9.333 1.00 14.35 H new ATOM 0 HD3 ARG A 14 11.525 5.956 -8.869 1.00 14.35 H new ATOM 0 HE ARG A 14 13.896 4.231 -8.701 1.00 21.31 H new ATOM 0 HH11 ARG A 14 10.336 4.255 -8.978 1.00 31.42 H new ATOM 0 HH12 ARG A 14 10.154 2.641 -8.283 1.00 31.42 H new ATOM 0 HH21 ARG A 14 13.651 2.180 -7.817 1.00 24.41 H new ATOM 0 HH22 ARG A 14 12.048 1.463 -7.623 1.00 24.41 H new ATOM 247 N LYS A 15 15.066 6.599 -14.030 1.00 2.03 N ATOM 248 CA LYS A 15 16.321 6.596 -14.762 1.00 70.44 C ATOM 249 C LYS A 15 16.920 8.003 -14.745 1.00 42.34 C ATOM 250 O LYS A 15 18.008 8.212 -14.211 1.00 43.23 O ATOM 251 CB LYS A 15 16.118 6.030 -16.170 1.00 1.54 C ATOM 252 CG LYS A 15 17.180 6.564 -17.133 1.00 41.32 C ATOM 253 CD LYS A 15 17.450 5.565 -18.260 1.00 24.34 C ATOM 254 CE LYS A 15 18.085 6.258 -19.467 1.00 22.21 C ATOM 255 NZ LYS A 15 18.791 5.274 -20.317 1.00 61.45 N ATOM 0 H LYS A 15 14.253 6.315 -14.576 1.00 2.03 H new ATOM 0 HA LYS A 15 17.042 5.937 -14.279 1.00 70.44 H new ATOM 0 HB2 LYS A 15 16.165 4.941 -16.139 1.00 1.54 H new ATOM 0 HB3 LYS A 15 15.125 6.296 -16.533 1.00 1.54 H new ATOM 0 HG2 LYS A 15 16.849 7.513 -17.555 1.00 41.32 H new ATOM 0 HG3 LYS A 15 18.103 6.762 -16.589 1.00 41.32 H new ATOM 0 HD2 LYS A 15 18.110 4.776 -17.901 1.00 24.34 H new ATOM 0 HD3 LYS A 15 16.517 5.088 -18.559 1.00 24.34 H new ATOM 0 HE2 LYS A 15 17.315 6.765 -20.049 1.00 22.21 H new ATOM 0 HE3 LYS A 15 18.784 7.023 -19.129 1.00 22.21 H new ATOM 0 HZ1 LYS A 15 19.216 5.761 -21.132 1.00 61.45 H new ATOM 0 HZ2 LYS A 15 19.538 4.809 -19.763 1.00 61.45 H new ATOM 0 HZ3 LYS A 15 18.115 4.559 -20.655 1.00 61.45 H new ATOM 268 N ALA A 16 16.184 8.933 -15.337 1.00 33.54 N ATOM 269 CA ALA A 16 16.629 10.314 -15.396 1.00 52.52 C ATOM 270 C ALA A 16 17.221 10.714 -14.043 1.00 63.42 C ATOM 271 O ALA A 16 18.353 11.190 -13.973 1.00 64.45 O ATOM 272 CB ALA A 16 15.459 11.210 -15.807 1.00 52.55 C ATOM 0 H ALA A 16 15.282 8.756 -15.780 1.00 33.54 H new ATOM 0 HA ALA A 16 17.411 10.433 -16.146 1.00 52.52 H new ATOM 0 HB1 ALA A 16 15.793 12.247 -15.851 1.00 52.55 H new ATOM 0 HB2 ALA A 16 15.093 10.904 -16.787 1.00 52.55 H new ATOM 0 HB3 ALA A 16 14.656 11.118 -15.076 1.00 52.55 H new ATOM 278 N GLU A 17 16.429 10.505 -13.002 1.00 5.03 N ATOM 279 CA GLU A 17 16.861 10.837 -11.655 1.00 5.23 C ATOM 280 C GLU A 17 18.294 10.352 -11.422 1.00 12.21 C ATOM 281 O GLU A 17 19.199 11.158 -11.208 1.00 74.50 O ATOM 282 CB GLU A 17 15.908 10.250 -10.613 1.00 14.15 C ATOM 283 CG GLU A 17 14.784 11.234 -10.282 1.00 13.22 C ATOM 284 CD GLU A 17 13.761 11.300 -11.418 1.00 33.03 C ATOM 285 OE1 GLU A 17 14.033 11.909 -12.463 1.00 1.43 O ATOM 286 OE2 GLU A 17 12.649 10.688 -11.186 1.00 70.03 O ATOM 0 H GLU A 17 15.491 10.110 -13.064 1.00 5.03 H new ATOM 0 HA GLU A 17 16.843 11.921 -11.546 1.00 5.23 H new ATOM 0 HB2 GLU A 17 15.483 9.319 -10.988 1.00 14.15 H new ATOM 0 HB3 GLU A 17 16.461 10.006 -9.706 1.00 14.15 H new ATOM 0 HG2 GLU A 17 14.289 10.930 -9.360 1.00 13.22 H new ATOM 0 HG3 GLU A 17 15.203 12.225 -10.107 1.00 13.22 H new ATOM 294 N SER A 18 18.455 9.038 -11.471 1.00 40.14 N ATOM 295 CA SER A 18 19.762 8.436 -11.268 1.00 51.25 C ATOM 296 C SER A 18 20.780 9.061 -12.225 1.00 32.30 C ATOM 297 O SER A 18 21.955 9.193 -11.887 1.00 11.13 O ATOM 298 CB SER A 18 19.707 6.920 -11.468 1.00 0.33 C ATOM 299 OG SER A 18 20.954 6.395 -11.916 1.00 13.30 O ATOM 0 H SER A 18 17.702 8.373 -11.648 1.00 40.14 H new ATOM 0 HA SER A 18 20.072 8.629 -10.241 1.00 51.25 H new ATOM 0 HB2 SER A 18 19.428 6.440 -10.530 1.00 0.33 H new ATOM 0 HB3 SER A 18 18.930 6.678 -12.193 1.00 0.33 H new ATOM 0 HG SER A 18 20.929 5.416 -11.878 1.00 13.30 H new ATOM 305 N GLU A 19 20.291 9.428 -13.400 1.00 43.15 N ATOM 306 CA GLU A 19 21.144 10.035 -14.408 1.00 53.54 C ATOM 307 C GLU A 19 21.525 11.458 -13.994 1.00 13.10 C ATOM 308 O GLU A 19 22.571 11.966 -14.395 1.00 20.14 O ATOM 309 CB GLU A 19 20.464 10.027 -15.779 1.00 14.31 C ATOM 310 CG GLU A 19 20.109 8.602 -16.206 1.00 72.34 C ATOM 311 CD GLU A 19 21.253 7.967 -17.000 1.00 35.41 C ATOM 312 OE1 GLU A 19 22.187 8.670 -17.411 1.00 24.01 O ATOM 313 OE2 GLU A 19 21.147 6.694 -17.184 1.00 45.12 O ATOM 0 H GLU A 19 19.316 9.317 -13.677 1.00 43.15 H new ATOM 0 HA GLU A 19 22.056 9.444 -14.488 1.00 53.54 H new ATOM 0 HB2 GLU A 19 19.561 10.636 -15.744 1.00 14.31 H new ATOM 0 HB3 GLU A 19 21.125 10.478 -16.519 1.00 14.31 H new ATOM 0 HG2 GLU A 19 19.893 7.997 -15.325 1.00 72.34 H new ATOM 0 HG3 GLU A 19 19.204 8.615 -16.813 1.00 72.34 H new ATOM 321 N ARG A 20 20.655 12.061 -13.197 1.00 0.21 N ATOM 322 CA ARG A 20 20.887 13.415 -12.724 1.00 3.31 C ATOM 323 C ARG A 20 21.851 13.404 -11.536 1.00 2.53 C ATOM 324 O ARG A 20 22.895 14.055 -11.573 1.00 32.44 O ATOM 325 CB ARG A 20 19.577 14.084 -12.303 1.00 22.12 C ATOM 326 CG ARG A 20 18.740 14.468 -13.525 1.00 21.43 C ATOM 327 CD ARG A 20 17.373 15.011 -13.104 1.00 71.30 C ATOM 328 NE ARG A 20 16.537 15.258 -14.300 1.00 12.01 N ATOM 329 CZ ARG A 20 15.194 15.397 -14.269 1.00 43.12 C ATOM 330 NH1 ARG A 20 14.523 15.314 -13.101 1.00 24.13 N ATOM 331 NH2 ARG A 20 14.548 15.615 -15.399 1.00 15.40 N ATOM 0 H ARG A 20 19.788 11.637 -12.867 1.00 0.21 H new ATOM 0 HA ARG A 20 21.324 13.983 -13.546 1.00 3.31 H new ATOM 0 HB2 ARG A 20 19.007 13.408 -11.666 1.00 22.12 H new ATOM 0 HB3 ARG A 20 19.793 14.974 -11.711 1.00 22.12 H new ATOM 0 HG2 ARG A 20 19.269 15.219 -14.111 1.00 21.43 H new ATOM 0 HG3 ARG A 20 18.607 13.598 -14.168 1.00 21.43 H new ATOM 0 HD2 ARG A 20 16.877 14.299 -12.444 1.00 71.30 H new ATOM 0 HD3 ARG A 20 17.498 15.935 -12.540 1.00 71.30 H new ATOM 0 HE ARG A 20 17.004 15.328 -15.204 1.00 12.01 H new ATOM 0 HH11 ARG A 20 15.030 15.145 -12.232 1.00 24.13 H new ATOM 0 HH12 ARG A 20 13.509 15.420 -13.087 1.00 24.13 H new ATOM 0 HH21 ARG A 20 15.063 15.676 -16.277 1.00 15.40 H new ATOM 0 HH22 ARG A 20 13.534 15.722 -15.394 1.00 15.40 H new ATOM 344 N ILE A 21 21.467 12.659 -10.510 1.00 23.00 N ATOM 345 CA ILE A 21 22.285 12.555 -9.313 1.00 74.10 C ATOM 346 C ILE A 21 23.684 12.071 -9.697 1.00 23.21 C ATOM 347 O ILE A 21 24.643 12.282 -8.956 1.00 30.23 O ATOM 348 CB ILE A 21 21.595 11.676 -8.268 1.00 72.31 C ATOM 349 CG1 ILE A 21 20.511 12.457 -7.523 1.00 11.40 C ATOM 350 CG2 ILE A 21 22.616 11.058 -7.311 1.00 63.20 C ATOM 351 CD1 ILE A 21 19.448 11.515 -6.955 1.00 55.04 C ATOM 0 H ILE A 21 20.600 12.122 -10.483 1.00 23.00 H new ATOM 0 HA ILE A 21 22.403 13.533 -8.846 1.00 74.10 H new ATOM 0 HB ILE A 21 21.101 10.854 -8.786 1.00 72.31 H new ATOM 0 HG12 ILE A 21 20.963 13.031 -6.714 1.00 11.40 H new ATOM 0 HG13 ILE A 21 20.044 13.173 -8.199 1.00 11.40 H new ATOM 0 HG21 ILE A 21 22.099 10.438 -6.578 1.00 63.20 H new ATOM 0 HG22 ILE A 21 23.318 10.444 -7.875 1.00 63.20 H new ATOM 0 HG23 ILE A 21 23.159 11.851 -6.797 1.00 63.20 H new ATOM 0 HD11 ILE A 21 18.690 12.096 -6.430 1.00 55.04 H new ATOM 0 HD12 ILE A 21 18.981 10.960 -7.769 1.00 55.04 H new ATOM 0 HD13 ILE A 21 19.915 10.817 -6.260 1.00 55.04 H new ATOM 363 N ALA A 22 23.757 11.431 -10.855 1.00 24.23 N ATOM 364 CA ALA A 22 25.024 10.915 -11.346 1.00 31.00 C ATOM 365 C ALA A 22 25.773 12.029 -12.081 1.00 35.40 C ATOM 366 O ALA A 22 26.989 12.156 -11.949 1.00 72.42 O ATOM 367 CB ALA A 22 24.768 9.698 -12.237 1.00 23.31 C ATOM 0 H ALA A 22 22.960 11.258 -11.467 1.00 24.23 H new ATOM 0 HA ALA A 22 25.652 10.587 -10.518 1.00 31.00 H new ATOM 0 HB1 ALA A 22 25.718 9.311 -12.606 1.00 23.31 H new ATOM 0 HB2 ALA A 22 24.260 8.925 -11.660 1.00 23.31 H new ATOM 0 HB3 ALA A 22 24.143 9.990 -13.081 1.00 23.31 H new ATOM 373 N ASP A 23 25.014 12.807 -12.839 1.00 45.10 N ATOM 374 CA ASP A 23 25.591 13.906 -13.595 1.00 70.11 C ATOM 375 C ASP A 23 26.268 14.883 -12.631 1.00 72.34 C ATOM 376 O ASP A 23 27.309 15.455 -12.951 1.00 75.02 O ATOM 377 CB ASP A 23 24.512 14.671 -14.364 1.00 1.32 C ATOM 378 CG ASP A 23 25.003 15.396 -15.619 1.00 22.23 C ATOM 379 OD1 ASP A 23 25.948 16.197 -15.565 1.00 13.51 O ATOM 380 OD2 ASP A 23 24.365 15.105 -16.701 1.00 72.23 O ATOM 0 H ASP A 23 24.005 12.698 -12.946 1.00 45.10 H new ATOM 0 HA ASP A 23 26.310 13.490 -14.300 1.00 70.11 H new ATOM 0 HB2 ASP A 23 23.727 13.972 -14.651 1.00 1.32 H new ATOM 0 HB3 ASP A 23 24.059 15.402 -13.694 1.00 1.32 H new ATOM 386 N ARG A 24 25.649 15.043 -11.471 1.00 1.31 N ATOM 387 CA ARG A 24 26.179 15.941 -10.458 1.00 72.14 C ATOM 388 C ARG A 24 27.119 15.185 -9.518 1.00 22.40 C ATOM 389 O ARG A 24 28.225 15.645 -9.239 1.00 23.54 O ATOM 390 CB ARG A 24 25.052 16.575 -9.640 1.00 72.43 C ATOM 391 CG ARG A 24 25.468 17.946 -9.105 1.00 14.23 C ATOM 392 CD ARG A 24 26.924 17.933 -8.635 1.00 53.12 C ATOM 393 NE ARG A 24 27.229 19.179 -7.897 1.00 52.11 N ATOM 394 CZ ARG A 24 27.399 20.383 -8.483 1.00 3.41 C ATOM 395 NH1 ARG A 24 27.296 20.514 -9.823 1.00 12.54 N ATOM 396 NH2 ARG A 24 27.669 21.431 -7.726 1.00 72.22 N ATOM 0 H ARG A 24 24.786 14.567 -11.210 1.00 1.31 H new ATOM 0 HA ARG A 24 26.729 16.730 -10.970 1.00 72.14 H new ATOM 0 HB2 ARG A 24 24.161 16.677 -10.260 1.00 72.43 H new ATOM 0 HB3 ARG A 24 24.789 15.921 -8.809 1.00 72.43 H new ATOM 0 HG2 ARG A 24 25.340 18.698 -9.884 1.00 14.23 H new ATOM 0 HG3 ARG A 24 24.818 18.230 -8.278 1.00 14.23 H new ATOM 0 HD2 ARG A 24 27.100 17.069 -7.994 1.00 53.12 H new ATOM 0 HD3 ARG A 24 27.591 17.836 -9.492 1.00 53.12 H new ATOM 0 HE ARG A 24 27.316 19.125 -6.882 1.00 52.11 H new ATOM 0 HH11 ARG A 24 27.088 19.699 -10.401 1.00 12.54 H new ATOM 0 HH12 ARG A 24 27.426 21.428 -10.258 1.00 12.54 H new ATOM 0 HH21 ARG A 24 27.746 21.323 -6.715 1.00 72.22 H new ATOM 0 HH22 ARG A 24 27.800 22.348 -8.153 1.00 72.22 H new ATOM 409 N PHE A 25 26.645 14.037 -9.056 1.00 0.14 N ATOM 410 CA PHE A 25 27.430 13.213 -8.152 1.00 72.44 C ATOM 411 C PHE A 25 27.556 11.784 -8.684 1.00 71.44 C ATOM 412 O PHE A 25 26.952 10.860 -8.142 1.00 30.25 O ATOM 413 CB PHE A 25 26.687 13.183 -6.815 1.00 63.31 C ATOM 414 CG PHE A 25 26.001 14.502 -6.455 1.00 35.30 C ATOM 415 CD1 PHE A 25 26.747 15.607 -6.189 1.00 63.22 C ATOM 416 CD2 PHE A 25 24.643 14.569 -6.401 1.00 2.01 C ATOM 417 CE1 PHE A 25 26.110 16.831 -5.855 1.00 71.11 C ATOM 418 CE2 PHE A 25 24.006 15.793 -6.067 1.00 11.13 C ATOM 419 CZ PHE A 25 24.753 16.898 -5.801 1.00 14.31 C ATOM 0 H PHE A 25 25.728 13.658 -9.291 1.00 0.14 H new ATOM 0 HA PHE A 25 28.434 13.625 -8.050 1.00 72.44 H new ATOM 0 HB2 PHE A 25 25.938 12.392 -6.845 1.00 63.31 H new ATOM 0 HB3 PHE A 25 27.392 12.924 -6.025 1.00 63.31 H new ATOM 0 HD1 PHE A 25 27.825 15.554 -6.232 1.00 63.22 H new ATOM 0 HD2 PHE A 25 24.050 13.691 -6.612 1.00 2.01 H new ATOM 0 HE1 PHE A 25 26.703 17.709 -5.644 1.00 71.11 H new ATOM 0 HE2 PHE A 25 22.928 15.847 -6.024 1.00 11.13 H new ATOM 0 HZ PHE A 25 24.268 17.829 -5.547 1.00 14.31 H new ATOM 429 N PRO A 26 28.366 11.643 -9.768 1.00 14.00 N ATOM 430 CA PRO A 26 28.579 10.342 -10.379 1.00 53.33 C ATOM 431 C PRO A 26 29.513 9.482 -9.526 1.00 61.13 C ATOM 432 O PRO A 26 29.776 8.327 -9.859 1.00 44.43 O ATOM 433 CB PRO A 26 29.142 10.643 -11.758 1.00 43.35 C ATOM 434 CG PRO A 26 29.658 12.072 -11.695 1.00 61.23 C ATOM 435 CD PRO A 26 29.097 12.715 -10.437 1.00 70.35 C ATOM 0 HA PRO A 26 27.662 9.758 -10.457 1.00 53.33 H new ATOM 0 HB2 PRO A 26 29.943 9.949 -12.013 1.00 43.35 H new ATOM 0 HB3 PRO A 26 28.374 10.538 -12.525 1.00 43.35 H new ATOM 0 HG2 PRO A 26 30.748 12.084 -11.676 1.00 61.23 H new ATOM 0 HG3 PRO A 26 29.348 12.629 -12.579 1.00 61.23 H new ATOM 0 HD2 PRO A 26 29.893 13.107 -9.804 1.00 70.35 H new ATOM 0 HD3 PRO A 26 28.441 13.551 -10.678 1.00 70.35 H new ATOM 443 N ASN A 27 29.989 10.077 -8.442 1.00 55.24 N ATOM 444 CA ASN A 27 30.888 9.380 -7.539 1.00 32.21 C ATOM 445 C ASN A 27 30.106 8.910 -6.310 1.00 43.32 C ATOM 446 O ASN A 27 30.699 8.516 -5.307 1.00 35.40 O ATOM 447 CB ASN A 27 32.012 10.301 -7.061 1.00 32.13 C ATOM 448 CG ASN A 27 32.386 11.317 -8.142 1.00 71.52 C ATOM 449 OD1 ASN A 27 32.486 12.509 -7.903 1.00 22.43 O ATOM 450 ND2 ASN A 27 32.586 10.780 -9.342 1.00 71.34 N ATOM 0 H ASN A 27 29.769 11.035 -8.169 1.00 55.24 H new ATOM 0 HA ASN A 27 31.319 8.535 -8.077 1.00 32.21 H new ATOM 0 HB2 ASN A 27 31.699 10.825 -6.158 1.00 32.13 H new ATOM 0 HB3 ASN A 27 32.887 9.706 -6.798 1.00 32.13 H new ATOM 0 HD21 ASN A 27 32.840 11.375 -10.131 1.00 71.34 H new ATOM 0 HD22 ASN A 27 32.486 9.773 -9.473 1.00 71.34 H new ATOM 457 N ARG A 28 28.788 8.969 -6.429 1.00 60.41 N ATOM 458 CA ARG A 28 27.919 8.554 -5.341 1.00 3.35 C ATOM 459 C ARG A 28 27.122 7.311 -5.741 1.00 41.42 C ATOM 460 O ARG A 28 27.298 6.784 -6.838 1.00 71.14 O ATOM 461 CB ARG A 28 26.948 9.672 -4.955 1.00 4.11 C ATOM 462 CG ARG A 28 27.680 10.813 -4.245 1.00 50.10 C ATOM 463 CD ARG A 28 27.840 10.517 -2.752 1.00 42.15 C ATOM 464 NE ARG A 28 26.693 11.072 -2.000 1.00 52.34 N ATOM 465 CZ ARG A 28 26.453 12.392 -1.852 1.00 12.44 C ATOM 466 NH1 ARG A 28 27.280 13.306 -2.403 1.00 61.41 N ATOM 467 NH2 ARG A 28 25.397 12.777 -1.159 1.00 22.14 N ATOM 0 H ARG A 28 28.301 9.298 -7.262 1.00 60.41 H new ATOM 0 HA ARG A 28 28.550 8.323 -4.483 1.00 3.35 H new ATOM 0 HB2 ARG A 28 26.453 10.053 -5.848 1.00 4.11 H new ATOM 0 HB3 ARG A 28 26.170 9.274 -4.304 1.00 4.11 H new ATOM 0 HG2 ARG A 28 28.661 10.958 -4.698 1.00 50.10 H new ATOM 0 HG3 ARG A 28 27.127 11.743 -4.378 1.00 50.10 H new ATOM 0 HD2 ARG A 28 27.904 9.441 -2.591 1.00 42.15 H new ATOM 0 HD3 ARG A 28 28.770 10.950 -2.385 1.00 42.15 H new ATOM 0 HE ARG A 28 26.043 10.416 -1.566 1.00 52.34 H new ATOM 0 HH11 ARG A 28 28.094 13.001 -2.936 1.00 61.41 H new ATOM 0 HH12 ARG A 28 27.091 14.301 -2.286 1.00 61.41 H new ATOM 0 HH21 ARG A 28 24.777 12.081 -0.745 1.00 22.14 H new ATOM 0 HH22 ARG A 28 25.201 13.771 -1.038 1.00 22.14 H new ATOM 480 N ILE A 29 26.263 6.880 -4.830 1.00 73.50 N ATOM 481 CA ILE A 29 25.438 5.708 -5.075 1.00 10.53 C ATOM 482 C ILE A 29 24.067 5.911 -4.426 1.00 24.34 C ATOM 483 O ILE A 29 23.871 5.567 -3.261 1.00 4.41 O ATOM 484 CB ILE A 29 26.157 4.440 -4.611 1.00 1.23 C ATOM 485 CG1 ILE A 29 27.623 4.450 -5.049 1.00 60.41 C ATOM 486 CG2 ILE A 29 25.423 3.187 -5.091 1.00 61.22 C ATOM 487 CD1 ILE A 29 28.300 3.115 -4.729 1.00 14.21 C ATOM 0 H ILE A 29 26.120 7.320 -3.921 1.00 73.50 H new ATOM 0 HA ILE A 29 25.269 5.577 -6.144 1.00 10.53 H new ATOM 0 HB ILE A 29 26.147 4.420 -3.521 1.00 1.23 H new ATOM 0 HG12 ILE A 29 27.685 4.646 -6.119 1.00 60.41 H new ATOM 0 HG13 ILE A 29 28.151 5.260 -4.545 1.00 60.41 H new ATOM 0 HG21 ILE A 29 25.955 2.300 -4.748 1.00 61.22 H new ATOM 0 HG22 ILE A 29 24.410 3.182 -4.688 1.00 61.22 H new ATOM 0 HG23 ILE A 29 25.380 3.185 -6.180 1.00 61.22 H new ATOM 0 HD11 ILE A 29 29.341 3.149 -5.050 1.00 14.21 H new ATOM 0 HD12 ILE A 29 28.257 2.934 -3.655 1.00 14.21 H new ATOM 0 HD13 ILE A 29 27.784 2.311 -5.253 1.00 14.21 H new ATOM 499 N PRO A 30 23.130 6.482 -5.228 1.00 71.14 N ATOM 500 CA PRO A 30 21.783 6.734 -4.744 1.00 63.04 C ATOM 501 C PRO A 30 20.976 5.436 -4.667 1.00 45.31 C ATOM 502 O PRO A 30 20.356 5.028 -5.647 1.00 73.23 O ATOM 503 CB PRO A 30 21.197 7.741 -5.720 1.00 54.00 C ATOM 504 CG PRO A 30 22.060 7.664 -6.968 1.00 64.25 C ATOM 505 CD PRO A 30 23.326 6.901 -6.613 1.00 3.41 C ATOM 0 HA PRO A 30 21.768 7.128 -3.728 1.00 63.04 H new ATOM 0 HB2 PRO A 30 20.158 7.504 -5.949 1.00 54.00 H new ATOM 0 HB3 PRO A 30 21.209 8.746 -5.298 1.00 54.00 H new ATOM 0 HG2 PRO A 30 21.524 7.161 -7.772 1.00 64.25 H new ATOM 0 HG3 PRO A 30 22.305 8.664 -7.325 1.00 64.25 H new ATOM 0 HD2 PRO A 30 23.469 6.043 -7.270 1.00 3.41 H new ATOM 0 HD3 PRO A 30 24.210 7.531 -6.715 1.00 3.41 H new ATOM 513 N VAL A 31 21.011 4.824 -3.493 1.00 4.35 N ATOM 514 CA VAL A 31 20.291 3.581 -3.274 1.00 40.44 C ATOM 515 C VAL A 31 18.847 3.897 -2.878 1.00 62.43 C ATOM 516 O VAL A 31 18.604 4.776 -2.053 1.00 71.32 O ATOM 517 CB VAL A 31 21.023 2.728 -2.237 1.00 32.51 C ATOM 518 CG1 VAL A 31 20.066 1.738 -1.568 1.00 4.41 C ATOM 519 CG2 VAL A 31 22.212 2.000 -2.866 1.00 64.24 C ATOM 0 H VAL A 31 21.527 5.166 -2.682 1.00 4.35 H new ATOM 0 HA VAL A 31 20.255 2.993 -4.191 1.00 40.44 H new ATOM 0 HB VAL A 31 21.409 3.395 -1.466 1.00 32.51 H new ATOM 0 HG11 VAL A 31 20.611 1.144 -0.835 1.00 4.41 H new ATOM 0 HG12 VAL A 31 19.267 2.286 -1.069 1.00 4.41 H new ATOM 0 HG13 VAL A 31 19.638 1.079 -2.323 1.00 4.41 H new ATOM 0 HG21 VAL A 31 22.715 1.401 -2.107 1.00 64.24 H new ATOM 0 HG22 VAL A 31 21.859 1.350 -3.666 1.00 64.24 H new ATOM 0 HG23 VAL A 31 22.911 2.730 -3.274 1.00 64.24 H new ATOM 529 N ILE A 32 17.927 3.161 -3.485 1.00 50.51 N ATOM 530 CA ILE A 32 16.514 3.352 -3.206 1.00 73.51 C ATOM 531 C ILE A 32 15.962 2.102 -2.517 1.00 72.10 C ATOM 532 O ILE A 32 15.529 1.162 -3.182 1.00 52.10 O ATOM 533 CB ILE A 32 15.762 3.732 -4.483 1.00 51.41 C ATOM 534 CG1 ILE A 32 16.010 5.197 -4.849 1.00 41.22 C ATOM 535 CG2 ILE A 32 14.270 3.418 -4.355 1.00 51.43 C ATOM 536 CD1 ILE A 32 15.370 6.135 -3.824 1.00 35.32 C ATOM 0 H ILE A 32 18.133 2.432 -4.168 1.00 50.51 H new ATOM 0 HA ILE A 32 16.371 4.186 -2.519 1.00 73.51 H new ATOM 0 HB ILE A 32 16.149 3.125 -5.301 1.00 51.41 H new ATOM 0 HG12 ILE A 32 17.082 5.386 -4.900 1.00 41.22 H new ATOM 0 HG13 ILE A 32 15.602 5.402 -5.839 1.00 41.22 H new ATOM 0 HG21 ILE A 32 13.759 3.698 -5.276 1.00 51.43 H new ATOM 0 HG22 ILE A 32 14.137 2.351 -4.176 1.00 51.43 H new ATOM 0 HG23 ILE A 32 13.850 3.981 -3.522 1.00 51.43 H new ATOM 0 HD11 ILE A 32 15.562 7.170 -4.108 1.00 35.32 H new ATOM 0 HD12 ILE A 32 14.295 5.960 -3.793 1.00 35.32 H new ATOM 0 HD13 ILE A 32 15.797 5.944 -2.840 1.00 35.32 H new ATOM 548 N CYS A 33 15.995 2.132 -1.193 1.00 22.21 N ATOM 549 CA CYS A 33 15.504 1.013 -0.406 1.00 54.25 C ATOM 550 C CYS A 33 13.984 1.144 -0.283 1.00 63.51 C ATOM 551 O CYS A 33 13.441 2.242 -0.388 1.00 44.30 O ATOM 552 CB CYS A 33 16.183 0.942 0.962 1.00 4.14 C ATOM 553 SG CYS A 33 16.231 -0.791 1.548 1.00 15.15 S ATOM 0 H CYS A 33 16.354 2.914 -0.645 1.00 22.21 H new ATOM 0 HA CYS A 33 15.748 0.077 -0.908 1.00 54.25 H new ATOM 0 HB2 CYS A 33 17.195 1.340 0.896 1.00 4.14 H new ATOM 0 HB3 CYS A 33 15.643 1.562 1.678 1.00 4.14 H new ATOM 0 HG CYS A 33 17.278 -0.966 2.299 1.00 15.15 H new ATOM 559 N GLU A 34 13.341 0.007 -0.062 1.00 32.30 N ATOM 560 CA GLU A 34 11.895 -0.020 0.077 1.00 73.02 C ATOM 561 C GLU A 34 11.495 -0.814 1.322 1.00 25.50 C ATOM 562 O GLU A 34 11.818 -1.996 1.439 1.00 42.41 O ATOM 563 CB GLU A 34 11.234 -0.597 -1.177 1.00 21.03 C ATOM 564 CG GLU A 34 11.374 0.362 -2.361 1.00 30.41 C ATOM 565 CD GLU A 34 10.100 1.187 -2.551 1.00 51.25 C ATOM 566 OE1 GLU A 34 10.178 2.398 -2.809 1.00 22.32 O ATOM 567 OE2 GLU A 34 8.999 0.527 -2.424 1.00 53.44 O ATOM 0 H GLU A 34 13.795 -0.902 0.024 1.00 32.30 H new ATOM 0 HA GLU A 34 11.542 1.005 0.195 1.00 73.02 H new ATOM 0 HB2 GLU A 34 11.690 -1.555 -1.425 1.00 21.03 H new ATOM 0 HB3 GLU A 34 10.179 -0.787 -0.981 1.00 21.03 H new ATOM 0 HG2 GLU A 34 12.221 1.027 -2.196 1.00 30.41 H new ATOM 0 HG3 GLU A 34 11.584 -0.203 -3.269 1.00 30.41 H new ATOM 575 N LYS A 35 10.799 -0.134 2.221 1.00 62.32 N ATOM 576 CA LYS A 35 10.353 -0.762 3.453 1.00 54.20 C ATOM 577 C LYS A 35 9.872 -2.183 3.151 1.00 1.24 C ATOM 578 O LYS A 35 9.185 -2.412 2.157 1.00 45.31 O ATOM 579 CB LYS A 35 9.303 0.108 4.147 1.00 12.03 C ATOM 580 CG LYS A 35 8.386 -0.740 5.031 1.00 12.12 C ATOM 581 CD LYS A 35 9.194 -1.521 6.070 1.00 52.34 C ATOM 582 CE LYS A 35 8.772 -1.141 7.491 1.00 64.24 C ATOM 583 NZ LYS A 35 7.886 -2.179 8.063 1.00 52.02 N ATOM 0 H LYS A 35 10.533 0.846 2.121 1.00 62.32 H new ATOM 0 HA LYS A 35 11.180 -0.848 4.158 1.00 54.20 H new ATOM 0 HB2 LYS A 35 9.797 0.867 4.753 1.00 12.03 H new ATOM 0 HB3 LYS A 35 8.709 0.634 3.399 1.00 12.03 H new ATOM 0 HG2 LYS A 35 7.664 -0.097 5.535 1.00 12.12 H new ATOM 0 HG3 LYS A 35 7.817 -1.433 4.411 1.00 12.12 H new ATOM 0 HD2 LYS A 35 9.051 -2.591 5.918 1.00 52.34 H new ATOM 0 HD3 LYS A 35 10.257 -1.319 5.936 1.00 52.34 H new ATOM 0 HE2 LYS A 35 9.655 -1.021 8.119 1.00 64.24 H new ATOM 0 HE3 LYS A 35 8.257 -0.181 7.479 1.00 64.24 H new ATOM 0 HZ1 LYS A 35 7.076 -1.725 8.531 1.00 52.02 H new ATOM 0 HZ2 LYS A 35 7.543 -2.800 7.303 1.00 52.02 H new ATOM 0 HZ3 LYS A 35 8.416 -2.743 8.758 1.00 52.02 H new ATOM 596 N ALA A 36 10.252 -3.100 4.028 1.00 20.25 N ATOM 597 CA ALA A 36 9.868 -4.493 3.869 1.00 45.44 C ATOM 598 C ALA A 36 8.740 -4.822 4.847 1.00 14.34 C ATOM 599 O ALA A 36 8.962 -4.897 6.055 1.00 62.13 O ATOM 600 CB ALA A 36 11.094 -5.386 4.070 1.00 31.21 C ATOM 0 H ALA A 36 10.822 -2.906 4.851 1.00 20.25 H new ATOM 0 HA ALA A 36 9.493 -4.675 2.862 1.00 45.44 H new ATOM 0 HB1 ALA A 36 10.807 -6.431 3.951 1.00 31.21 H new ATOM 0 HB2 ALA A 36 11.854 -5.132 3.331 1.00 31.21 H new ATOM 0 HB3 ALA A 36 11.496 -5.232 5.071 1.00 31.21 H new ATOM 606 N GLU A 37 7.552 -5.009 4.290 1.00 2.02 N ATOM 607 CA GLU A 37 6.388 -5.328 5.099 1.00 71.32 C ATOM 608 C GLU A 37 6.752 -6.359 6.169 1.00 34.41 C ATOM 609 O GLU A 37 6.403 -6.196 7.337 1.00 31.23 O ATOM 610 CB GLU A 37 5.234 -5.827 4.226 1.00 25.23 C ATOM 611 CG GLU A 37 5.567 -7.184 3.602 1.00 55.25 C ATOM 612 CD GLU A 37 4.505 -7.590 2.577 1.00 21.22 C ATOM 613 OE1 GLU A 37 3.765 -8.559 2.803 1.00 70.24 O ATOM 614 OE2 GLU A 37 4.464 -6.859 1.515 1.00 13.35 O ATOM 0 H GLU A 37 7.371 -4.946 3.288 1.00 2.02 H new ATOM 0 HA GLU A 37 6.055 -4.418 5.598 1.00 71.32 H new ATOM 0 HB2 GLU A 37 4.328 -5.911 4.827 1.00 25.23 H new ATOM 0 HB3 GLU A 37 5.028 -5.101 3.439 1.00 25.23 H new ATOM 0 HG2 GLU A 37 6.544 -7.137 3.120 1.00 55.25 H new ATOM 0 HG3 GLU A 37 5.633 -7.942 4.383 1.00 55.25 H new ATOM 622 N LYS A 38 7.448 -7.398 5.732 1.00 71.41 N ATOM 623 CA LYS A 38 7.863 -8.456 6.638 1.00 53.00 C ATOM 624 C LYS A 38 8.391 -7.835 7.933 1.00 54.44 C ATOM 625 O LYS A 38 8.059 -8.292 9.025 1.00 31.12 O ATOM 626 CB LYS A 38 8.862 -9.389 5.951 1.00 4.51 C ATOM 627 CG LYS A 38 8.233 -10.063 4.730 1.00 23.45 C ATOM 628 CD LYS A 38 9.188 -11.092 4.120 1.00 14.11 C ATOM 629 CE LYS A 38 8.928 -11.259 2.622 1.00 70.14 C ATOM 630 NZ LYS A 38 7.845 -12.241 2.390 1.00 63.24 N ATOM 0 H LYS A 38 7.735 -7.530 4.762 1.00 71.41 H new ATOM 0 HA LYS A 38 7.012 -9.082 6.908 1.00 53.00 H new ATOM 0 HB2 LYS A 38 9.742 -8.823 5.645 1.00 4.51 H new ATOM 0 HB3 LYS A 38 9.200 -10.148 6.656 1.00 4.51 H new ATOM 0 HG2 LYS A 38 7.302 -10.551 5.019 1.00 23.45 H new ATOM 0 HG3 LYS A 38 7.980 -9.310 3.984 1.00 23.45 H new ATOM 0 HD2 LYS A 38 10.219 -10.777 4.281 1.00 14.11 H new ATOM 0 HD3 LYS A 38 9.065 -12.051 4.623 1.00 14.11 H new ATOM 0 HE2 LYS A 38 8.656 -10.298 2.185 1.00 70.14 H new ATOM 0 HE3 LYS A 38 9.839 -11.589 2.123 1.00 70.14 H new ATOM 0 HZ1 LYS A 38 7.681 -12.342 1.368 1.00 63.24 H new ATOM 0 HZ2 LYS A 38 8.119 -13.161 2.790 1.00 63.24 H new ATOM 0 HZ3 LYS A 38 6.972 -11.910 2.849 1.00 63.24 H new ATOM 643 N SER A 39 9.204 -6.802 7.767 1.00 14.30 N ATOM 644 CA SER A 39 9.781 -6.113 8.909 1.00 53.11 C ATOM 645 C SER A 39 8.688 -5.785 9.929 1.00 43.42 C ATOM 646 O SER A 39 7.501 -5.918 9.636 1.00 10.55 O ATOM 647 CB SER A 39 10.502 -4.836 8.475 1.00 44.34 C ATOM 648 OG SER A 39 11.067 -4.138 9.582 1.00 73.50 O ATOM 0 H SER A 39 9.477 -6.426 6.859 1.00 14.30 H new ATOM 0 HA SER A 39 10.515 -6.773 9.372 1.00 53.11 H new ATOM 0 HB2 SER A 39 11.290 -5.088 7.765 1.00 44.34 H new ATOM 0 HB3 SER A 39 9.801 -4.183 7.955 1.00 44.34 H new ATOM 0 HG SER A 39 11.520 -3.330 9.262 1.00 73.50 H new ATOM 654 N ASP A 40 9.129 -5.362 11.105 1.00 70.23 N ATOM 655 CA ASP A 40 8.204 -5.014 12.169 1.00 13.25 C ATOM 656 C ASP A 40 8.522 -3.605 12.675 1.00 33.20 C ATOM 657 O ASP A 40 7.916 -3.136 13.637 1.00 2.14 O ATOM 658 CB ASP A 40 8.333 -5.980 13.349 1.00 55.31 C ATOM 659 CG ASP A 40 7.141 -5.992 14.308 1.00 14.32 C ATOM 660 OD1 ASP A 40 6.024 -5.593 13.944 1.00 21.25 O ATOM 661 OD2 ASP A 40 7.397 -6.440 15.490 1.00 12.24 O ATOM 0 H ASP A 40 10.115 -5.253 11.344 1.00 70.23 H new ATOM 0 HA ASP A 40 7.192 -5.068 11.767 1.00 13.25 H new ATOM 0 HB2 ASP A 40 8.477 -6.988 12.960 1.00 55.31 H new ATOM 0 HB3 ASP A 40 9.231 -5.724 13.912 1.00 55.31 H new ATOM 667 N ILE A 41 9.471 -2.970 12.003 1.00 30.34 N ATOM 668 CA ILE A 41 9.877 -1.625 12.373 1.00 53.24 C ATOM 669 C ILE A 41 8.850 -0.623 11.840 1.00 20.11 C ATOM 670 O ILE A 41 8.054 -0.952 10.962 1.00 32.13 O ATOM 671 CB ILE A 41 11.306 -1.348 11.903 1.00 64.41 C ATOM 672 CG1 ILE A 41 11.314 -0.728 10.505 1.00 52.54 C ATOM 673 CG2 ILE A 41 12.161 -2.616 11.972 1.00 53.21 C ATOM 674 CD1 ILE A 41 12.707 -0.805 9.878 1.00 43.13 C ATOM 0 H ILE A 41 9.970 -3.362 11.205 1.00 30.34 H new ATOM 0 HA ILE A 41 9.896 -1.518 13.458 1.00 53.24 H new ATOM 0 HB ILE A 41 11.753 -0.620 12.580 1.00 64.41 H new ATOM 0 HG12 ILE A 41 10.596 -1.247 9.869 1.00 52.54 H new ATOM 0 HG13 ILE A 41 10.995 0.313 10.563 1.00 52.54 H new ATOM 0 HG21 ILE A 41 13.172 -2.392 11.633 1.00 53.21 H new ATOM 0 HG22 ILE A 41 12.195 -2.976 13.000 1.00 53.21 H new ATOM 0 HG23 ILE A 41 11.725 -3.384 11.333 1.00 53.21 H new ATOM 0 HD11 ILE A 41 12.684 -0.357 8.885 1.00 43.13 H new ATOM 0 HD12 ILE A 41 13.418 -0.265 10.503 1.00 43.13 H new ATOM 0 HD13 ILE A 41 13.013 -1.848 9.799 1.00 43.13 H new ATOM 686 N PRO A 42 8.903 0.611 12.408 1.00 2.44 N ATOM 687 CA PRO A 42 7.988 1.663 12.000 1.00 13.22 C ATOM 688 C PRO A 42 8.383 2.236 10.637 1.00 34.43 C ATOM 689 O PRO A 42 9.566 2.414 10.354 1.00 3.14 O ATOM 690 CB PRO A 42 8.048 2.693 13.117 1.00 62.41 C ATOM 691 CG PRO A 42 9.333 2.407 13.878 1.00 52.22 C ATOM 692 CD PRO A 42 9.833 1.037 13.451 1.00 71.14 C ATOM 0 HA PRO A 42 6.968 1.303 11.863 1.00 13.22 H new ATOM 0 HB2 PRO A 42 8.049 3.706 12.715 1.00 62.41 H new ATOM 0 HB3 PRO A 42 7.180 2.611 13.771 1.00 62.41 H new ATOM 0 HG2 PRO A 42 10.081 3.170 13.664 1.00 52.22 H new ATOM 0 HG3 PRO A 42 9.153 2.430 14.953 1.00 52.22 H new ATOM 0 HD2 PRO A 42 10.854 1.088 13.074 1.00 71.14 H new ATOM 0 HD3 PRO A 42 9.837 0.338 14.288 1.00 71.14 H new ATOM 700 N GLU A 43 7.369 2.508 9.829 1.00 34.51 N ATOM 701 CA GLU A 43 7.595 3.056 8.503 1.00 50.12 C ATOM 702 C GLU A 43 8.453 4.320 8.590 1.00 22.34 C ATOM 703 O GLU A 43 8.613 4.892 9.667 1.00 1.33 O ATOM 704 CB GLU A 43 6.270 3.342 7.794 1.00 35.30 C ATOM 705 CG GLU A 43 6.415 3.192 6.278 1.00 11.33 C ATOM 706 CD GLU A 43 5.073 2.843 5.631 1.00 44.04 C ATOM 707 OE1 GLU A 43 4.787 1.659 5.398 1.00 51.20 O ATOM 708 OE2 GLU A 43 4.315 3.853 5.369 1.00 41.25 O ATOM 0 H GLU A 43 6.389 2.359 10.067 1.00 34.51 H new ATOM 0 HA GLU A 43 8.133 2.314 7.912 1.00 50.12 H new ATOM 0 HB2 GLU A 43 5.503 2.658 8.159 1.00 35.30 H new ATOM 0 HB3 GLU A 43 5.936 4.352 8.033 1.00 35.30 H new ATOM 0 HG2 GLU A 43 6.798 4.119 5.852 1.00 11.33 H new ATOM 0 HG3 GLU A 43 7.144 2.413 6.054 1.00 11.33 H new ATOM 716 N ILE A 44 8.983 4.718 7.443 1.00 31.40 N ATOM 717 CA ILE A 44 9.821 5.903 7.377 1.00 73.14 C ATOM 718 C ILE A 44 9.087 6.998 6.601 1.00 54.23 C ATOM 719 O ILE A 44 7.911 6.849 6.272 1.00 51.15 O ATOM 720 CB ILE A 44 11.195 5.556 6.800 1.00 52.12 C ATOM 721 CG1 ILE A 44 11.059 4.783 5.486 1.00 12.05 C ATOM 722 CG2 ILE A 44 12.045 4.801 7.824 1.00 53.30 C ATOM 723 CD1 ILE A 44 12.413 4.649 4.786 1.00 13.14 C ATOM 0 H ILE A 44 8.848 4.241 6.552 1.00 31.40 H new ATOM 0 HA ILE A 44 10.010 6.292 8.377 1.00 73.14 H new ATOM 0 HB ILE A 44 11.715 6.487 6.573 1.00 52.12 H new ATOM 0 HG12 ILE A 44 10.648 3.793 5.683 1.00 12.05 H new ATOM 0 HG13 ILE A 44 10.355 5.295 4.830 1.00 12.05 H new ATOM 0 HG21 ILE A 44 13.016 4.566 7.388 1.00 53.30 H new ATOM 0 HG22 ILE A 44 12.185 5.421 8.709 1.00 53.30 H new ATOM 0 HG23 ILE A 44 11.541 3.876 8.105 1.00 53.30 H new ATOM 0 HD11 ILE A 44 12.288 4.096 3.855 1.00 13.14 H new ATOM 0 HD12 ILE A 44 12.810 5.641 4.568 1.00 13.14 H new ATOM 0 HD13 ILE A 44 13.107 4.115 5.435 1.00 13.14 H new ATOM 735 N ASP A 45 9.811 8.074 6.331 1.00 53.51 N ATOM 736 CA ASP A 45 9.243 9.195 5.600 1.00 71.52 C ATOM 737 C ASP A 45 9.365 8.932 4.097 1.00 22.14 C ATOM 738 O ASP A 45 8.379 9.015 3.367 1.00 42.32 O ATOM 739 CB ASP A 45 9.989 10.493 5.915 1.00 74.31 C ATOM 740 CG ASP A 45 9.494 11.237 7.157 1.00 41.33 C ATOM 741 OD1 ASP A 45 9.910 10.942 8.287 1.00 65.43 O ATOM 742 OD2 ASP A 45 8.633 12.170 6.926 1.00 31.34 O ATOM 0 H ASP A 45 10.786 8.194 6.605 1.00 53.51 H new ATOM 0 HA ASP A 45 8.199 9.298 5.898 1.00 71.52 H new ATOM 0 HB2 ASP A 45 11.047 10.264 6.044 1.00 74.31 H new ATOM 0 HB3 ASP A 45 9.909 11.158 5.055 1.00 74.31 H new ATOM 748 N LYS A 46 10.584 8.620 3.681 1.00 74.21 N ATOM 749 CA LYS A 46 10.848 8.344 2.279 1.00 54.41 C ATOM 750 C LYS A 46 12.091 7.460 2.163 1.00 51.45 C ATOM 751 O LYS A 46 12.762 7.193 3.158 1.00 62.00 O ATOM 752 CB LYS A 46 10.944 9.649 1.486 1.00 43.15 C ATOM 753 CG LYS A 46 12.043 10.553 2.049 1.00 50.04 C ATOM 754 CD LYS A 46 11.560 11.289 3.300 1.00 72.10 C ATOM 755 CE LYS A 46 12.387 12.552 3.546 1.00 14.45 C ATOM 756 NZ LYS A 46 12.168 13.535 2.461 1.00 31.23 N ATOM 0 H LYS A 46 11.399 8.552 4.290 1.00 74.21 H new ATOM 0 HA LYS A 46 10.020 7.789 1.837 1.00 54.41 H new ATOM 0 HB2 LYS A 46 11.151 9.428 0.439 1.00 43.15 H new ATOM 0 HB3 LYS A 46 9.987 10.170 1.519 1.00 43.15 H new ATOM 0 HG2 LYS A 46 12.922 9.955 2.291 1.00 50.04 H new ATOM 0 HG3 LYS A 46 12.347 11.276 1.292 1.00 50.04 H new ATOM 0 HD2 LYS A 46 10.509 11.554 3.187 1.00 72.10 H new ATOM 0 HD3 LYS A 46 11.631 10.629 4.165 1.00 72.10 H new ATOM 0 HE2 LYS A 46 12.113 12.992 4.505 1.00 14.45 H new ATOM 0 HE3 LYS A 46 13.445 12.296 3.604 1.00 14.45 H new ATOM 0 HZ1 LYS A 46 12.364 14.493 2.816 1.00 31.23 H new ATOM 0 HZ2 LYS A 46 12.805 13.323 1.667 1.00 31.23 H new ATOM 0 HZ3 LYS A 46 11.181 13.481 2.137 1.00 31.23 H new ATOM 769 N ARG A 47 12.360 7.031 0.938 1.00 2.14 N ATOM 770 CA ARG A 47 13.511 6.183 0.679 1.00 30.30 C ATOM 771 C ARG A 47 14.546 6.934 -0.161 1.00 11.23 C ATOM 772 O ARG A 47 14.383 7.076 -1.372 1.00 0.44 O ATOM 773 CB ARG A 47 13.099 4.905 -0.055 1.00 41.11 C ATOM 774 CG ARG A 47 12.206 5.226 -1.255 1.00 51.22 C ATOM 775 CD ARG A 47 10.747 4.866 -0.965 1.00 44.30 C ATOM 776 NE ARG A 47 10.003 6.073 -0.541 1.00 40.22 N ATOM 777 CZ ARG A 47 9.638 7.069 -1.376 1.00 42.50 C ATOM 778 NH1 ARG A 47 9.947 7.011 -2.689 1.00 32.20 N ATOM 779 NH2 ARG A 47 8.975 8.102 -0.889 1.00 64.02 N ATOM 0 H ARG A 47 11.801 7.255 0.115 1.00 2.14 H new ATOM 0 HA ARG A 47 13.946 5.912 1.641 1.00 30.30 H new ATOM 0 HB2 ARG A 47 13.988 4.372 -0.391 1.00 41.11 H new ATOM 0 HB3 ARG A 47 12.570 4.242 0.630 1.00 41.11 H new ATOM 0 HG2 ARG A 47 12.282 6.286 -1.496 1.00 51.22 H new ATOM 0 HG3 ARG A 47 12.553 4.675 -2.129 1.00 51.22 H new ATOM 0 HD2 ARG A 47 10.286 4.438 -1.855 1.00 44.30 H new ATOM 0 HD3 ARG A 47 10.699 4.106 -0.185 1.00 44.30 H new ATOM 0 HE ARG A 47 9.750 6.158 0.444 1.00 40.22 H new ATOM 0 HH11 ARG A 47 10.460 6.210 -3.057 1.00 32.20 H new ATOM 0 HH12 ARG A 47 9.667 7.768 -3.313 1.00 32.20 H new ATOM 0 HH21 ARG A 47 8.746 8.139 0.104 1.00 64.02 H new ATOM 0 HH22 ARG A 47 8.692 8.863 -1.506 1.00 64.02 H new ATOM 792 N LYS A 48 15.588 7.395 0.516 1.00 54.44 N ATOM 793 CA LYS A 48 16.649 8.129 -0.153 1.00 70.31 C ATOM 794 C LYS A 48 17.967 7.899 0.588 1.00 23.15 C ATOM 795 O LYS A 48 18.142 8.369 1.712 1.00 40.14 O ATOM 796 CB LYS A 48 16.273 9.605 -0.296 1.00 33.13 C ATOM 797 CG LYS A 48 15.889 9.936 -1.739 1.00 60.14 C ATOM 798 CD LYS A 48 14.850 11.058 -1.787 1.00 41.10 C ATOM 799 CE LYS A 48 13.458 10.532 -1.430 1.00 5.44 C ATOM 800 NZ LYS A 48 12.472 11.636 -1.428 1.00 3.04 N ATOM 0 H LYS A 48 15.720 7.274 1.520 1.00 54.44 H new ATOM 0 HA LYS A 48 16.785 7.760 -1.169 1.00 70.31 H new ATOM 0 HB2 LYS A 48 15.441 9.838 0.368 1.00 33.13 H new ATOM 0 HB3 LYS A 48 17.111 10.229 0.013 1.00 33.13 H new ATOM 0 HG2 LYS A 48 16.777 10.234 -2.296 1.00 60.14 H new ATOM 0 HG3 LYS A 48 15.491 9.046 -2.226 1.00 60.14 H new ATOM 0 HD2 LYS A 48 15.132 11.850 -1.093 1.00 41.10 H new ATOM 0 HD3 LYS A 48 14.831 11.499 -2.784 1.00 41.10 H new ATOM 0 HE2 LYS A 48 13.156 9.768 -2.147 1.00 5.44 H new ATOM 0 HE3 LYS A 48 13.483 10.057 -0.449 1.00 5.44 H new ATOM 0 HZ1 LYS A 48 11.533 11.262 -1.184 1.00 3.04 H new ATOM 0 HZ2 LYS A 48 12.753 12.351 -0.727 1.00 3.04 H new ATOM 0 HZ3 LYS A 48 12.437 12.072 -2.372 1.00 3.04 H new ATOM 813 N TYR A 49 18.861 7.176 -0.070 1.00 24.13 N ATOM 814 CA TYR A 49 20.159 6.878 0.513 1.00 34.01 C ATOM 815 C TYR A 49 21.284 7.146 -0.488 1.00 62.21 C ATOM 816 O TYR A 49 21.623 6.280 -1.293 1.00 21.51 O ATOM 817 CB TYR A 49 20.137 5.386 0.850 1.00 33.15 C ATOM 818 CG TYR A 49 18.915 4.949 1.661 1.00 73.03 C ATOM 819 CD1 TYR A 49 18.895 5.125 3.029 1.00 22.13 C ATOM 820 CD2 TYR A 49 17.832 4.379 1.023 1.00 74.23 C ATOM 821 CE1 TYR A 49 17.745 4.714 3.792 1.00 71.32 C ATOM 822 CE2 TYR A 49 16.681 3.968 1.785 1.00 24.43 C ATOM 823 CZ TYR A 49 16.695 4.155 3.132 1.00 12.32 C ATOM 824 OH TYR A 49 15.608 3.767 3.852 1.00 25.03 O ATOM 0 H TYR A 49 18.713 6.788 -1.001 1.00 24.13 H new ATOM 0 HA TYR A 49 20.339 7.502 1.388 1.00 34.01 H new ATOM 0 HB2 TYR A 49 20.168 4.814 -0.077 1.00 33.15 H new ATOM 0 HB3 TYR A 49 21.039 5.137 1.409 1.00 33.15 H new ATOM 0 HD1 TYR A 49 19.742 5.571 3.528 1.00 22.13 H new ATOM 0 HD2 TYR A 49 17.848 4.241 -0.048 1.00 74.23 H new ATOM 0 HE1 TYR A 49 17.717 4.846 4.863 1.00 71.32 H new ATOM 0 HE2 TYR A 49 15.827 3.522 1.298 1.00 24.43 H new ATOM 0 HH TYR A 49 15.451 2.809 3.717 1.00 25.03 H new ATOM 834 N LEU A 50 21.832 8.349 -0.406 1.00 3.24 N ATOM 835 CA LEU A 50 22.913 8.742 -1.295 1.00 14.05 C ATOM 836 C LEU A 50 24.250 8.569 -0.572 1.00 61.32 C ATOM 837 O LEU A 50 24.686 9.459 0.156 1.00 23.21 O ATOM 838 CB LEU A 50 22.680 10.157 -1.827 1.00 42.42 C ATOM 839 CG LEU A 50 23.530 10.569 -3.031 1.00 70.33 C ATOM 840 CD1 LEU A 50 23.800 9.373 -3.946 1.00 74.43 C ATOM 841 CD2 LEU A 50 22.885 11.733 -3.785 1.00 50.34 C ATOM 0 H LEU A 50 21.548 9.065 0.262 1.00 3.24 H new ATOM 0 HA LEU A 50 22.939 8.096 -2.173 1.00 14.05 H new ATOM 0 HB2 LEU A 50 21.629 10.253 -2.099 1.00 42.42 H new ATOM 0 HB3 LEU A 50 22.865 10.863 -1.018 1.00 42.42 H new ATOM 0 HG LEU A 50 24.495 10.919 -2.664 1.00 70.33 H new ATOM 0 HD11 LEU A 50 24.406 9.693 -4.794 1.00 74.43 H new ATOM 0 HD12 LEU A 50 24.333 8.602 -3.389 1.00 74.43 H new ATOM 0 HD13 LEU A 50 22.854 8.971 -4.308 1.00 74.43 H new ATOM 0 HD21 LEU A 50 23.509 12.006 -4.636 1.00 50.34 H new ATOM 0 HD22 LEU A 50 21.898 11.435 -4.140 1.00 50.34 H new ATOM 0 HD23 LEU A 50 22.787 12.589 -3.118 1.00 50.34 H new ATOM 853 N VAL A 51 24.864 7.417 -0.799 1.00 72.40 N ATOM 854 CA VAL A 51 26.143 7.115 -0.179 1.00 11.10 C ATOM 855 C VAL A 51 27.232 7.089 -1.253 1.00 40.22 C ATOM 856 O VAL A 51 26.951 6.821 -2.420 1.00 45.44 O ATOM 857 CB VAL A 51 26.048 5.806 0.608 1.00 55.15 C ATOM 858 CG1 VAL A 51 25.761 6.075 2.086 1.00 32.42 C ATOM 859 CG2 VAL A 51 24.991 4.879 0.003 1.00 13.33 C ATOM 0 H VAL A 51 24.499 6.681 -1.404 1.00 72.40 H new ATOM 0 HA VAL A 51 26.412 7.891 0.538 1.00 11.10 H new ATOM 0 HB VAL A 51 27.013 5.303 0.541 1.00 55.15 H new ATOM 0 HG11 VAL A 51 25.698 5.128 2.623 1.00 32.42 H new ATOM 0 HG12 VAL A 51 26.564 6.679 2.508 1.00 32.42 H new ATOM 0 HG13 VAL A 51 24.816 6.610 2.182 1.00 32.42 H new ATOM 0 HG21 VAL A 51 24.943 3.956 0.581 1.00 13.33 H new ATOM 0 HG22 VAL A 51 24.019 5.372 0.025 1.00 13.33 H new ATOM 0 HG23 VAL A 51 25.257 4.648 -1.029 1.00 13.33 H new ATOM 869 N PRO A 52 28.484 7.379 -0.809 1.00 24.51 N ATOM 870 CA PRO A 52 29.617 7.391 -1.719 1.00 20.10 C ATOM 871 C PRO A 52 30.039 5.967 -2.088 1.00 44.42 C ATOM 872 O PRO A 52 29.521 4.999 -1.534 1.00 44.03 O ATOM 873 CB PRO A 52 30.703 8.161 -0.985 1.00 53.34 C ATOM 874 CG PRO A 52 30.304 8.149 0.481 1.00 13.43 C ATOM 875 CD PRO A 52 28.854 7.700 0.566 1.00 1.43 C ATOM 0 HA PRO A 52 29.386 7.866 -2.672 1.00 20.10 H new ATOM 0 HB2 PRO A 52 31.678 7.694 -1.128 1.00 53.34 H new ATOM 0 HB3 PRO A 52 30.780 9.181 -1.360 1.00 53.34 H new ATOM 0 HG2 PRO A 52 30.946 7.474 1.046 1.00 13.43 H new ATOM 0 HG3 PRO A 52 30.423 9.141 0.917 1.00 13.43 H new ATOM 0 HD2 PRO A 52 28.746 6.833 1.218 1.00 1.43 H new ATOM 0 HD3 PRO A 52 28.219 8.487 0.974 1.00 1.43 H new ATOM 883 N ALA A 53 30.976 5.886 -3.021 1.00 63.34 N ATOM 884 CA ALA A 53 31.474 4.597 -3.471 1.00 24.20 C ATOM 885 C ALA A 53 32.659 4.180 -2.597 1.00 72.40 C ATOM 886 O ALA A 53 33.448 3.319 -2.984 1.00 73.11 O ATOM 887 CB ALA A 53 31.845 4.681 -4.953 1.00 54.21 C ATOM 0 H ALA A 53 31.403 6.692 -3.478 1.00 63.34 H new ATOM 0 HA ALA A 53 30.704 3.832 -3.371 1.00 24.20 H new ATOM 0 HB1 ALA A 53 32.218 3.714 -5.290 1.00 54.21 H new ATOM 0 HB2 ALA A 53 30.963 4.952 -5.534 1.00 54.21 H new ATOM 0 HB3 ALA A 53 32.618 5.437 -5.092 1.00 54.21 H new ATOM 893 N ASP A 54 32.746 4.809 -1.434 1.00 41.15 N ATOM 894 CA ASP A 54 33.821 4.514 -0.502 1.00 50.04 C ATOM 895 C ASP A 54 33.225 4.017 0.816 1.00 72.51 C ATOM 896 O ASP A 54 33.957 3.653 1.735 1.00 65.35 O ATOM 897 CB ASP A 54 34.650 5.765 -0.204 1.00 62.31 C ATOM 898 CG ASP A 54 35.644 6.158 -1.299 1.00 25.54 C ATOM 899 OD1 ASP A 54 36.541 5.379 -1.656 1.00 51.15 O ATOM 900 OD2 ASP A 54 35.469 7.334 -1.797 1.00 42.25 O ATOM 0 H ASP A 54 32.089 5.522 -1.116 1.00 41.15 H new ATOM 0 HA ASP A 54 34.461 3.756 -0.954 1.00 50.04 H new ATOM 0 HB2 ASP A 54 33.971 6.600 -0.034 1.00 62.31 H new ATOM 0 HB3 ASP A 54 35.199 5.606 0.724 1.00 62.31 H new ATOM 906 N LEU A 55 31.901 4.017 0.867 1.00 31.31 N ATOM 907 CA LEU A 55 31.198 3.570 2.058 1.00 71.13 C ATOM 908 C LEU A 55 30.964 2.060 1.970 1.00 14.40 C ATOM 909 O LEU A 55 30.926 1.497 0.877 1.00 25.23 O ATOM 910 CB LEU A 55 29.916 4.380 2.259 1.00 50.51 C ATOM 911 CG LEU A 55 28.931 3.832 3.293 1.00 75.54 C ATOM 912 CD1 LEU A 55 28.152 4.965 3.964 1.00 62.31 C ATOM 913 CD2 LEU A 55 28.001 2.791 2.665 1.00 31.22 C ATOM 0 H LEU A 55 31.297 4.319 0.103 1.00 31.31 H new ATOM 0 HA LEU A 55 31.803 3.748 2.947 1.00 71.13 H new ATOM 0 HB2 LEU A 55 30.192 5.393 2.551 1.00 50.51 H new ATOM 0 HB3 LEU A 55 29.402 4.453 1.300 1.00 50.51 H new ATOM 0 HG LEU A 55 29.501 3.327 4.073 1.00 75.54 H new ATOM 0 HD11 LEU A 55 27.459 4.547 4.694 1.00 62.31 H new ATOM 0 HD12 LEU A 55 28.848 5.637 4.467 1.00 62.31 H new ATOM 0 HD13 LEU A 55 27.593 5.519 3.210 1.00 62.31 H new ATOM 0 HD21 LEU A 55 27.310 2.417 3.421 1.00 31.22 H new ATOM 0 HD22 LEU A 55 27.437 3.250 1.853 1.00 31.22 H new ATOM 0 HD23 LEU A 55 28.593 1.964 2.273 1.00 31.22 H new ATOM 925 N THR A 56 30.812 1.449 3.135 1.00 33.24 N ATOM 926 CA THR A 56 30.582 0.016 3.204 1.00 21.32 C ATOM 927 C THR A 56 29.113 -0.275 3.518 1.00 2.45 C ATOM 928 O THR A 56 28.400 0.591 4.024 1.00 21.22 O ATOM 929 CB THR A 56 31.551 -0.570 4.234 1.00 51.54 C ATOM 930 OG1 THR A 56 30.972 -0.225 5.490 1.00 65.44 O ATOM 931 CG2 THR A 56 32.903 0.146 4.238 1.00 64.12 C ATOM 0 H THR A 56 30.844 1.920 4.039 1.00 33.24 H new ATOM 0 HA THR A 56 30.777 -0.462 2.244 1.00 21.32 H new ATOM 0 HB THR A 56 31.702 -1.630 4.029 1.00 51.54 H new ATOM 0 HG1 THR A 56 31.534 0.441 5.938 1.00 65.44 H new ATOM 0 HG21 THR A 56 33.553 -0.308 4.986 1.00 64.12 H new ATOM 0 HG22 THR A 56 33.364 0.058 3.254 1.00 64.12 H new ATOM 0 HG23 THR A 56 32.756 1.199 4.476 1.00 64.12 H new ATOM 939 N VAL A 57 28.704 -1.495 3.206 1.00 64.41 N ATOM 940 CA VAL A 57 27.333 -1.911 3.449 1.00 43.34 C ATOM 941 C VAL A 57 26.970 -1.626 4.907 1.00 34.43 C ATOM 942 O VAL A 57 25.945 -1.005 5.186 1.00 43.34 O ATOM 943 CB VAL A 57 27.156 -3.381 3.064 1.00 51.11 C ATOM 944 CG1 VAL A 57 25.794 -3.907 3.522 1.00 41.12 C ATOM 945 CG2 VAL A 57 27.343 -3.580 1.558 1.00 32.15 C ATOM 0 H VAL A 57 29.298 -2.210 2.787 1.00 64.41 H new ATOM 0 HA VAL A 57 26.644 -1.341 2.825 1.00 43.34 H new ATOM 0 HB VAL A 57 27.927 -3.957 3.576 1.00 51.11 H new ATOM 0 HG11 VAL A 57 25.693 -4.954 3.236 1.00 41.12 H new ATOM 0 HG12 VAL A 57 25.715 -3.818 4.605 1.00 41.12 H new ATOM 0 HG13 VAL A 57 25.002 -3.325 3.051 1.00 41.12 H new ATOM 0 HG21 VAL A 57 27.212 -4.634 1.311 1.00 32.15 H new ATOM 0 HG22 VAL A 57 26.605 -2.986 1.018 1.00 32.15 H new ATOM 0 HG23 VAL A 57 28.345 -3.262 1.271 1.00 32.15 H new ATOM 955 N GLY A 58 27.829 -2.095 5.800 1.00 32.22 N ATOM 956 CA GLY A 58 27.611 -1.899 7.223 1.00 32.14 C ATOM 957 C GLY A 58 27.047 -0.505 7.505 1.00 54.02 C ATOM 958 O GLY A 58 26.025 -0.369 8.176 1.00 51.30 O ATOM 0 H GLY A 58 28.677 -2.610 5.566 1.00 32.22 H new ATOM 0 HA2 GLY A 58 26.922 -2.656 7.597 1.00 32.14 H new ATOM 0 HA3 GLY A 58 28.550 -2.030 7.760 1.00 32.14 H new ATOM 962 N GLN A 59 27.737 0.495 6.977 1.00 10.33 N ATOM 963 CA GLN A 59 27.318 1.874 7.163 1.00 14.03 C ATOM 964 C GLN A 59 25.840 2.033 6.802 1.00 75.35 C ATOM 965 O GLN A 59 25.053 2.541 7.599 1.00 52.13 O ATOM 966 CB GLN A 59 28.188 2.827 6.343 1.00 44.44 C ATOM 967 CG GLN A 59 29.668 2.454 6.457 1.00 52.35 C ATOM 968 CD GLN A 59 30.560 3.678 6.241 1.00 42.25 C ATOM 969 OE1 GLN A 59 30.125 4.816 6.309 1.00 73.11 O ATOM 970 NE2 GLN A 59 31.830 3.382 5.977 1.00 53.42 N ATOM 0 H GLN A 59 28.584 0.378 6.420 1.00 10.33 H new ATOM 0 HA GLN A 59 27.445 2.133 8.214 1.00 14.03 H new ATOM 0 HB2 GLN A 59 27.881 2.797 5.298 1.00 44.44 H new ATOM 0 HB3 GLN A 59 28.039 3.850 6.689 1.00 44.44 H new ATOM 0 HG2 GLN A 59 29.864 2.026 7.440 1.00 52.35 H new ATOM 0 HG3 GLN A 59 29.911 1.688 5.721 1.00 52.35 H new ATOM 0 HE21 GLN A 59 32.128 2.408 5.935 1.00 53.42 H new ATOM 0 HE22 GLN A 59 32.505 4.130 5.817 1.00 53.42 H new ATOM 979 N PHE A 60 25.507 1.588 5.599 1.00 54.14 N ATOM 980 CA PHE A 60 24.137 1.674 5.122 1.00 52.45 C ATOM 981 C PHE A 60 23.152 1.211 6.196 1.00 34.34 C ATOM 982 O PHE A 60 22.271 1.967 6.604 1.00 71.42 O ATOM 983 CB PHE A 60 24.026 0.746 3.910 1.00 11.33 C ATOM 984 CG PHE A 60 22.738 0.926 3.105 1.00 54.14 C ATOM 985 CD1 PHE A 60 21.580 0.356 3.536 1.00 5.54 C ATOM 986 CD2 PHE A 60 22.750 1.655 1.957 1.00 54.42 C ATOM 987 CE1 PHE A 60 20.385 0.523 2.789 1.00 50.34 C ATOM 988 CE2 PHE A 60 21.554 1.822 1.209 1.00 50.10 C ATOM 989 CZ PHE A 60 20.397 1.253 1.641 1.00 71.53 C ATOM 0 H PHE A 60 26.162 1.167 4.940 1.00 54.14 H new ATOM 0 HA PHE A 60 23.896 2.706 4.868 1.00 52.45 H new ATOM 0 HB2 PHE A 60 24.879 0.918 3.254 1.00 11.33 H new ATOM 0 HB3 PHE A 60 24.089 -0.288 4.250 1.00 11.33 H new ATOM 0 HD1 PHE A 60 21.570 -0.224 4.447 1.00 5.54 H new ATOM 0 HD2 PHE A 60 23.669 2.107 1.614 1.00 54.42 H new ATOM 0 HE1 PHE A 60 19.466 0.071 3.132 1.00 50.34 H new ATOM 0 HE2 PHE A 60 21.564 2.401 0.297 1.00 50.10 H new ATOM 0 HZ PHE A 60 19.487 1.381 1.073 1.00 71.53 H new ATOM 999 N VAL A 61 23.333 -0.030 6.625 1.00 44.31 N ATOM 1000 CA VAL A 61 22.471 -0.603 7.645 1.00 64.14 C ATOM 1001 C VAL A 61 22.250 0.425 8.756 1.00 22.32 C ATOM 1002 O VAL A 61 21.194 0.446 9.386 1.00 74.14 O ATOM 1003 CB VAL A 61 23.067 -1.917 8.155 1.00 51.21 C ATOM 1004 CG1 VAL A 61 22.117 -2.604 9.137 1.00 34.51 C ATOM 1005 CG2 VAL A 61 23.421 -2.846 6.992 1.00 30.44 C ATOM 0 H VAL A 61 24.064 -0.655 6.285 1.00 44.31 H new ATOM 0 HA VAL A 61 21.494 -0.845 7.228 1.00 64.14 H new ATOM 0 HB VAL A 61 23.988 -1.683 8.689 1.00 51.21 H new ATOM 0 HG11 VAL A 61 22.564 -3.535 9.485 1.00 34.51 H new ATOM 0 HG12 VAL A 61 21.937 -1.948 9.989 1.00 34.51 H new ATOM 0 HG13 VAL A 61 21.172 -2.819 8.639 1.00 34.51 H new ATOM 0 HG21 VAL A 61 23.843 -3.773 7.382 1.00 30.44 H new ATOM 0 HG22 VAL A 61 22.522 -3.070 6.418 1.00 30.44 H new ATOM 0 HG23 VAL A 61 24.151 -2.358 6.346 1.00 30.44 H new ATOM 1015 N TYR A 62 23.264 1.252 8.964 1.00 61.03 N ATOM 1016 CA TYR A 62 23.194 2.280 9.988 1.00 34.24 C ATOM 1017 C TYR A 62 22.380 3.482 9.504 1.00 31.34 C ATOM 1018 O TYR A 62 21.555 4.016 10.244 1.00 32.31 O ATOM 1019 CB TYR A 62 24.636 2.724 10.240 1.00 30.43 C ATOM 1020 CG TYR A 62 24.908 3.167 11.679 1.00 42.31 C ATOM 1021 CD1 TYR A 62 24.624 2.318 12.729 1.00 72.32 C ATOM 1022 CD2 TYR A 62 25.438 4.417 11.927 1.00 1.20 C ATOM 1023 CE1 TYR A 62 24.880 2.735 14.083 1.00 40.31 C ATOM 1024 CE2 TYR A 62 25.694 4.835 13.281 1.00 24.11 C ATOM 1025 CZ TYR A 62 25.403 3.973 14.292 1.00 13.32 C ATOM 1026 OH TYR A 62 25.645 4.368 15.571 1.00 33.30 O ATOM 0 H TYR A 62 24.139 1.231 8.440 1.00 61.03 H new ATOM 0 HA TYR A 62 22.713 1.894 10.886 1.00 34.24 H new ATOM 0 HB2 TYR A 62 25.307 1.902 9.991 1.00 30.43 H new ATOM 0 HB3 TYR A 62 24.875 3.547 9.566 1.00 30.43 H new ATOM 0 HD1 TYR A 62 24.209 1.340 12.535 1.00 72.32 H new ATOM 0 HD2 TYR A 62 25.661 5.082 11.105 1.00 1.20 H new ATOM 0 HE1 TYR A 62 24.662 2.080 14.913 1.00 40.31 H new ATOM 0 HE2 TYR A 62 26.108 5.811 13.489 1.00 24.11 H new ATOM 0 HH TYR A 62 26.019 5.274 15.568 1.00 33.30 H new ATOM 1036 N VAL A 63 22.641 3.872 8.266 1.00 51.34 N ATOM 1037 CA VAL A 63 21.943 5.001 7.674 1.00 0.32 C ATOM 1038 C VAL A 63 20.438 4.835 7.891 1.00 14.31 C ATOM 1039 O VAL A 63 19.783 5.724 8.434 1.00 4.13 O ATOM 1040 CB VAL A 63 22.323 5.136 6.198 1.00 0.52 C ATOM 1041 CG1 VAL A 63 21.220 5.847 5.411 1.00 4.52 C ATOM 1042 CG2 VAL A 63 23.662 5.859 6.041 1.00 44.21 C ATOM 0 H VAL A 63 23.326 3.427 7.656 1.00 51.34 H new ATOM 0 HA VAL A 63 22.241 5.931 8.159 1.00 0.32 H new ATOM 0 HB VAL A 63 22.434 4.133 5.787 1.00 0.52 H new ATOM 0 HG11 VAL A 63 21.515 5.930 4.365 1.00 4.52 H new ATOM 0 HG12 VAL A 63 20.295 5.275 5.483 1.00 4.52 H new ATOM 0 HG13 VAL A 63 21.063 6.843 5.824 1.00 4.52 H new ATOM 0 HG21 VAL A 63 23.909 5.942 4.983 1.00 44.21 H new ATOM 0 HG22 VAL A 63 23.590 6.856 6.476 1.00 44.21 H new ATOM 0 HG23 VAL A 63 24.442 5.295 6.552 1.00 44.21 H new ATOM 1052 N ILE A 64 19.932 3.691 7.455 1.00 30.24 N ATOM 1053 CA ILE A 64 18.516 3.397 7.595 1.00 31.12 C ATOM 1054 C ILE A 64 18.105 3.571 9.059 1.00 42.33 C ATOM 1055 O ILE A 64 17.109 4.230 9.353 1.00 32.43 O ATOM 1056 CB ILE A 64 18.198 2.012 7.028 1.00 14.00 C ATOM 1057 CG1 ILE A 64 18.040 2.065 5.507 1.00 43.30 C ATOM 1058 CG2 ILE A 64 16.968 1.409 7.711 1.00 40.33 C ATOM 1059 CD1 ILE A 64 19.378 2.367 4.828 1.00 73.33 C ATOM 0 H ILE A 64 20.478 2.956 7.004 1.00 30.24 H new ATOM 0 HA ILE A 64 17.922 4.100 7.011 1.00 31.12 H new ATOM 0 HB ILE A 64 19.040 1.354 7.242 1.00 14.00 H new ATOM 0 HG12 ILE A 64 17.651 1.114 5.145 1.00 43.30 H new ATOM 0 HG13 ILE A 64 17.311 2.830 5.240 1.00 43.30 H new ATOM 0 HG21 ILE A 64 16.764 0.425 7.290 1.00 40.33 H new ATOM 0 HG22 ILE A 64 17.156 1.314 8.781 1.00 40.33 H new ATOM 0 HG23 ILE A 64 16.107 2.058 7.550 1.00 40.33 H new ATOM 0 HD11 ILE A 64 19.239 2.399 3.747 1.00 73.33 H new ATOM 0 HD12 ILE A 64 19.753 3.330 5.174 1.00 73.33 H new ATOM 0 HD13 ILE A 64 20.097 1.587 5.078 1.00 73.33 H new ATOM 1071 N ARG A 65 18.894 2.970 9.937 1.00 1.00 N ATOM 1072 CA ARG A 65 18.625 3.051 11.363 1.00 60.43 C ATOM 1073 C ARG A 65 18.365 4.502 11.773 1.00 75.55 C ATOM 1074 O ARG A 65 17.715 4.757 12.786 1.00 44.14 O ATOM 1075 CB ARG A 65 19.798 2.501 12.176 1.00 22.25 C ATOM 1076 CG ARG A 65 19.369 2.179 13.609 1.00 13.54 C ATOM 1077 CD ARG A 65 20.566 2.212 14.561 1.00 23.11 C ATOM 1078 NE ARG A 65 20.789 3.592 15.047 1.00 64.10 N ATOM 1079 CZ ARG A 65 21.453 3.897 16.183 1.00 72.54 C ATOM 1080 NH1 ARG A 65 21.965 2.919 16.960 1.00 34.13 N ATOM 1081 NH2 ARG A 65 21.593 5.165 16.521 1.00 23.42 N ATOM 0 H ARG A 65 19.720 2.425 9.689 1.00 1.00 H new ATOM 0 HA ARG A 65 17.740 2.448 11.568 1.00 60.43 H new ATOM 0 HB2 ARG A 65 20.186 1.602 11.698 1.00 22.25 H new ATOM 0 HB3 ARG A 65 20.609 3.230 12.190 1.00 22.25 H new ATOM 0 HG2 ARG A 65 18.619 2.898 13.938 1.00 13.54 H new ATOM 0 HG3 ARG A 65 18.902 1.194 13.640 1.00 13.54 H new ATOM 0 HD2 ARG A 65 20.389 1.545 15.405 1.00 23.11 H new ATOM 0 HD3 ARG A 65 21.458 1.849 14.050 1.00 23.11 H new ATOM 0 HE ARG A 65 20.418 4.361 14.489 1.00 64.10 H new ATOM 0 HH11 ARG A 65 21.852 1.942 16.691 1.00 34.13 H new ATOM 0 HH12 ARG A 65 22.465 3.157 17.816 1.00 34.13 H new ATOM 0 HH21 ARG A 65 21.203 5.897 15.928 1.00 23.42 H new ATOM 0 HH22 ARG A 65 22.092 5.413 17.376 1.00 23.42 H new ATOM 1094 N LYS A 66 18.884 5.414 10.964 1.00 21.42 N ATOM 1095 CA LYS A 66 18.716 6.832 11.230 1.00 12.21 C ATOM 1096 C LYS A 66 17.306 7.260 10.818 1.00 51.21 C ATOM 1097 O LYS A 66 16.643 8.004 11.540 1.00 61.34 O ATOM 1098 CB LYS A 66 19.826 7.639 10.554 1.00 52.41 C ATOM 1099 CG LYS A 66 21.201 7.041 10.857 1.00 2.42 C ATOM 1100 CD LYS A 66 21.283 6.563 12.308 1.00 22.01 C ATOM 1101 CE LYS A 66 22.738 6.382 12.744 1.00 24.42 C ATOM 1102 NZ LYS A 66 22.873 6.595 14.203 1.00 72.44 N ATOM 0 H LYS A 66 19.421 5.198 10.124 1.00 21.42 H new ATOM 0 HA LYS A 66 18.812 7.034 12.297 1.00 12.21 H new ATOM 0 HB2 LYS A 66 19.663 7.657 9.476 1.00 52.41 H new ATOM 0 HB3 LYS A 66 19.791 8.672 10.899 1.00 52.41 H new ATOM 0 HG2 LYS A 66 21.395 6.206 10.184 1.00 2.42 H new ATOM 0 HG3 LYS A 66 21.975 7.786 10.672 1.00 2.42 H new ATOM 0 HD2 LYS A 66 20.791 7.284 12.961 1.00 22.01 H new ATOM 0 HD3 LYS A 66 20.748 5.620 12.415 1.00 22.01 H new ATOM 0 HE2 LYS A 66 23.080 5.380 12.484 1.00 24.42 H new ATOM 0 HE3 LYS A 66 23.375 7.085 12.207 1.00 24.42 H new ATOM 0 HZ1 LYS A 66 23.649 7.262 14.386 1.00 72.44 H new ATOM 0 HZ2 LYS A 66 21.986 6.984 14.581 1.00 72.44 H new ATOM 0 HZ3 LYS A 66 23.079 5.688 14.669 1.00 72.44 H new ATOM 1115 N ARG A 67 16.889 6.772 9.659 1.00 40.22 N ATOM 1116 CA ARG A 67 15.570 7.095 9.142 1.00 71.20 C ATOM 1117 C ARG A 67 14.487 6.585 10.095 1.00 0.22 C ATOM 1118 O ARG A 67 13.404 7.163 10.176 1.00 71.44 O ATOM 1119 CB ARG A 67 15.354 6.477 7.759 1.00 41.20 C ATOM 1120 CG ARG A 67 15.796 7.439 6.654 1.00 70.20 C ATOM 1121 CD ARG A 67 14.747 8.529 6.424 1.00 61.32 C ATOM 1122 NE ARG A 67 15.030 9.695 7.290 1.00 21.43 N ATOM 1123 CZ ARG A 67 16.013 10.590 7.057 1.00 23.13 C ATOM 1124 NH1 ARG A 67 16.817 10.460 5.981 1.00 63.14 N ATOM 1125 NH2 ARG A 67 16.177 11.594 7.898 1.00 11.21 N ATOM 0 H ARG A 67 17.441 6.155 9.063 1.00 40.22 H new ATOM 0 HA ARG A 67 15.504 8.180 9.057 1.00 71.20 H new ATOM 0 HB2 ARG A 67 15.915 5.546 7.681 1.00 41.20 H new ATOM 0 HB3 ARG A 67 14.301 6.227 7.629 1.00 41.20 H new ATOM 0 HG2 ARG A 67 16.748 7.896 6.924 1.00 70.20 H new ATOM 0 HG3 ARG A 67 15.960 6.886 5.729 1.00 70.20 H new ATOM 0 HD2 ARG A 67 14.751 8.834 5.377 1.00 61.32 H new ATOM 0 HD3 ARG A 67 13.752 8.139 6.639 1.00 61.32 H new ATOM 0 HE ARG A 67 14.445 9.831 8.115 1.00 21.43 H new ATOM 0 HH11 ARG A 67 16.684 9.681 5.336 1.00 63.14 H new ATOM 0 HH12 ARG A 67 17.557 11.141 5.812 1.00 63.14 H new ATOM 0 HH21 ARG A 67 15.566 11.685 8.709 1.00 11.21 H new ATOM 0 HH22 ARG A 67 16.915 12.279 7.737 1.00 11.21 H new ATOM 1138 N ILE A 68 14.817 5.509 10.794 1.00 63.24 N ATOM 1139 CA ILE A 68 13.886 4.915 11.738 1.00 24.12 C ATOM 1140 C ILE A 68 14.361 5.201 13.164 1.00 3.21 C ATOM 1141 O ILE A 68 13.690 4.841 14.130 1.00 61.21 O ATOM 1142 CB ILE A 68 13.697 3.426 11.440 1.00 5.21 C ATOM 1143 CG1 ILE A 68 14.980 2.813 10.874 1.00 2.23 C ATOM 1144 CG2 ILE A 68 12.498 3.200 10.517 1.00 24.32 C ATOM 1145 CD1 ILE A 68 14.848 1.295 10.738 1.00 65.01 C ATOM 0 H ILE A 68 15.717 5.033 10.725 1.00 63.24 H new ATOM 0 HA ILE A 68 12.899 5.365 11.634 1.00 24.12 H new ATOM 0 HB ILE A 68 13.482 2.914 12.378 1.00 5.21 H new ATOM 0 HG12 ILE A 68 15.198 3.251 9.900 1.00 2.23 H new ATOM 0 HG13 ILE A 68 15.820 3.052 11.526 1.00 2.23 H new ATOM 0 HG21 ILE A 68 12.386 2.134 10.321 1.00 24.32 H new ATOM 0 HG22 ILE A 68 11.594 3.578 10.995 1.00 24.32 H new ATOM 0 HG23 ILE A 68 12.658 3.727 9.576 1.00 24.32 H new ATOM 0 HD11 ILE A 68 15.773 0.884 10.334 1.00 65.01 H new ATOM 0 HD12 ILE A 68 14.654 0.857 11.717 1.00 65.01 H new ATOM 0 HD13 ILE A 68 14.023 1.060 10.066 1.00 65.01 H new ATOM 1157 N MET A 69 15.515 5.847 13.251 1.00 21.41 N ATOM 1158 CA MET A 69 16.088 6.185 14.543 1.00 53.41 C ATOM 1159 C MET A 69 15.910 5.038 15.539 1.00 12.04 C ATOM 1160 O MET A 69 15.458 5.252 16.663 1.00 30.33 O ATOM 1161 CB MET A 69 15.410 7.444 15.087 1.00 1.44 C ATOM 1162 CG MET A 69 13.904 7.230 15.250 1.00 71.22 C ATOM 1163 SD MET A 69 13.180 8.612 16.118 1.00 65.51 S ATOM 1164 CE MET A 69 13.588 9.934 14.990 1.00 31.21 C ATOM 0 H MET A 69 16.068 6.145 12.448 1.00 21.41 H new ATOM 0 HA MET A 69 17.155 6.364 14.411 1.00 53.41 H new ATOM 0 HB2 MET A 69 15.849 7.711 16.048 1.00 1.44 H new ATOM 0 HB3 MET A 69 15.591 8.280 14.411 1.00 1.44 H new ATOM 0 HG2 MET A 69 13.436 7.119 14.272 1.00 71.22 H new ATOM 0 HG3 MET A 69 13.717 6.307 15.799 1.00 71.22 H new ATOM 0 HE1 MET A 69 12.920 10.778 15.162 1.00 31.21 H new ATOM 0 HE2 MET A 69 14.619 10.248 15.155 1.00 31.21 H new ATOM 0 HE3 MET A 69 13.474 9.585 13.964 1.00 31.21 H new ATOM 1174 N LEU A 70 16.274 3.846 15.091 1.00 24.34 N ATOM 1175 CA LEU A 70 16.161 2.664 15.930 1.00 53.32 C ATOM 1176 C LEU A 70 17.192 2.744 17.058 1.00 75.54 C ATOM 1177 O LEU A 70 18.207 3.425 16.928 1.00 1.35 O ATOM 1178 CB LEU A 70 16.271 1.394 15.084 1.00 41.33 C ATOM 1179 CG LEU A 70 14.953 0.692 14.753 1.00 54.24 C ATOM 1180 CD1 LEU A 70 13.824 1.707 14.562 1.00 51.24 C ATOM 1181 CD2 LEU A 70 15.110 -0.225 13.538 1.00 32.34 C ATOM 0 H LEU A 70 16.648 3.672 14.158 1.00 24.34 H new ATOM 0 HA LEU A 70 15.178 2.622 16.399 1.00 53.32 H new ATOM 0 HB2 LEU A 70 16.770 1.647 14.148 1.00 41.33 H new ATOM 0 HB3 LEU A 70 16.915 0.687 15.608 1.00 41.33 H new ATOM 0 HG LEU A 70 14.680 0.062 15.599 1.00 54.24 H new ATOM 0 HD11 LEU A 70 12.898 1.182 14.328 1.00 51.24 H new ATOM 0 HD12 LEU A 70 13.693 2.282 15.479 1.00 51.24 H new ATOM 0 HD13 LEU A 70 14.076 2.381 13.743 1.00 51.24 H new ATOM 0 HD21 LEU A 70 14.158 -0.712 13.324 1.00 32.34 H new ATOM 0 HD22 LEU A 70 15.418 0.365 12.675 1.00 32.34 H new ATOM 0 HD23 LEU A 70 15.865 -0.982 13.749 1.00 32.34 H new ATOM 1193 N PRO A 71 16.887 2.018 18.167 1.00 72.13 N ATOM 1194 CA PRO A 71 17.775 2.000 19.316 1.00 21.44 C ATOM 1195 C PRO A 71 19.006 1.132 19.045 1.00 51.23 C ATOM 1196 O PRO A 71 19.062 0.425 18.040 1.00 34.42 O ATOM 1197 CB PRO A 71 16.924 1.480 20.463 1.00 34.12 C ATOM 1198 CG PRO A 71 15.732 0.790 19.819 1.00 41.44 C ATOM 1199 CD PRO A 71 15.693 1.199 18.355 1.00 21.30 C ATOM 0 HA PRO A 71 18.178 2.985 19.551 1.00 21.44 H new ATOM 0 HB2 PRO A 71 17.489 0.785 21.084 1.00 34.12 H new ATOM 0 HB3 PRO A 71 16.601 2.295 21.110 1.00 34.12 H new ATOM 0 HG2 PRO A 71 15.822 -0.292 19.911 1.00 41.44 H new ATOM 0 HG3 PRO A 71 14.808 1.077 20.321 1.00 41.44 H new ATOM 0 HD2 PRO A 71 15.703 0.328 17.700 1.00 21.30 H new ATOM 0 HD3 PRO A 71 14.787 1.760 18.125 1.00 21.30 H new ATOM 1207 N PRO A 72 19.987 1.218 19.982 1.00 24.52 N ATOM 1208 CA PRO A 72 21.214 0.449 19.854 1.00 72.12 C ATOM 1209 C PRO A 72 20.975 -1.025 20.188 1.00 13.12 C ATOM 1210 O PRO A 72 21.899 -1.835 20.138 1.00 44.53 O ATOM 1211 CB PRO A 72 22.199 1.120 20.797 1.00 61.21 C ATOM 1212 CG PRO A 72 21.360 1.945 21.759 1.00 34.50 C ATOM 1213 CD PRO A 72 19.956 2.045 21.185 1.00 70.13 C ATOM 0 HA PRO A 72 21.601 0.441 18.835 1.00 72.12 H new ATOM 0 HB2 PRO A 72 22.793 0.380 21.333 1.00 61.21 H new ATOM 0 HB3 PRO A 72 22.897 1.751 20.248 1.00 61.21 H new ATOM 0 HG2 PRO A 72 21.338 1.478 22.743 1.00 34.50 H new ATOM 0 HG3 PRO A 72 21.792 2.938 21.887 1.00 34.50 H new ATOM 0 HD2 PRO A 72 19.212 1.684 21.895 1.00 70.13 H new ATOM 0 HD3 PRO A 72 19.697 3.077 20.949 1.00 70.13 H new ATOM 1221 N GLU A 73 19.729 -1.328 20.522 1.00 21.33 N ATOM 1222 CA GLU A 73 19.357 -2.690 20.865 1.00 73.52 C ATOM 1223 C GLU A 73 18.781 -3.407 19.642 1.00 42.15 C ATOM 1224 O GLU A 73 19.011 -4.600 19.452 1.00 60.35 O ATOM 1225 CB GLU A 73 18.365 -2.711 22.029 1.00 32.45 C ATOM 1226 CG GLU A 73 18.822 -1.782 23.155 1.00 15.54 C ATOM 1227 CD GLU A 73 17.957 -1.967 24.404 1.00 12.30 C ATOM 1228 OE1 GLU A 73 16.834 -1.443 24.464 1.00 63.41 O ATOM 1229 OE2 GLU A 73 18.489 -2.685 25.334 1.00 11.01 O ATOM 0 H GLU A 73 18.965 -0.654 20.562 1.00 21.33 H new ATOM 0 HA GLU A 73 20.254 -3.221 21.185 1.00 73.52 H new ATOM 0 HB2 GLU A 73 17.380 -2.405 21.677 1.00 32.45 H new ATOM 0 HB3 GLU A 73 18.266 -3.728 22.409 1.00 32.45 H new ATOM 0 HG2 GLU A 73 19.865 -1.985 23.398 1.00 15.54 H new ATOM 0 HG3 GLU A 73 18.768 -0.746 22.821 1.00 15.54 H new ATOM 1237 N LYS A 74 18.044 -2.648 18.844 1.00 61.43 N ATOM 1238 CA LYS A 74 17.434 -3.196 17.644 1.00 11.00 C ATOM 1239 C LYS A 74 18.531 -3.690 16.699 1.00 40.10 C ATOM 1240 O LYS A 74 19.717 -3.496 16.963 1.00 14.21 O ATOM 1241 CB LYS A 74 16.489 -2.174 17.009 1.00 44.52 C ATOM 1242 CG LYS A 74 15.112 -2.211 17.675 1.00 64.21 C ATOM 1243 CD LYS A 74 13.998 -2.033 16.642 1.00 44.15 C ATOM 1244 CE LYS A 74 12.962 -3.153 16.754 1.00 11.40 C ATOM 1245 NZ LYS A 74 13.306 -4.271 15.848 1.00 43.34 N ATOM 0 H LYS A 74 17.856 -1.659 19.005 1.00 61.43 H new ATOM 0 HA LYS A 74 16.814 -4.058 17.891 1.00 11.00 H new ATOM 0 HB2 LYS A 74 16.914 -1.175 17.101 1.00 44.52 H new ATOM 0 HB3 LYS A 74 16.387 -2.381 15.944 1.00 44.52 H new ATOM 0 HG2 LYS A 74 14.982 -3.160 18.196 1.00 64.21 H new ATOM 0 HG3 LYS A 74 15.046 -1.423 18.426 1.00 64.21 H new ATOM 0 HD2 LYS A 74 13.513 -1.068 16.788 1.00 44.15 H new ATOM 0 HD3 LYS A 74 14.425 -2.027 15.639 1.00 44.15 H new ATOM 0 HE2 LYS A 74 12.916 -3.512 17.782 1.00 11.40 H new ATOM 0 HE3 LYS A 74 11.973 -2.768 16.506 1.00 11.40 H new ATOM 0 HZ1 LYS A 74 12.592 -5.022 15.937 1.00 43.34 H new ATOM 0 HZ2 LYS A 74 13.327 -3.928 14.866 1.00 43.34 H new ATOM 0 HZ3 LYS A 74 14.241 -4.649 16.103 1.00 43.34 H new ATOM 1258 N ALA A 75 18.097 -4.319 15.617 1.00 55.11 N ATOM 1259 CA ALA A 75 19.027 -4.842 14.631 1.00 20.21 C ATOM 1260 C ALA A 75 18.325 -4.941 13.275 1.00 11.23 C ATOM 1261 O ALA A 75 17.477 -5.809 13.073 1.00 11.40 O ATOM 1262 CB ALA A 75 19.569 -6.192 15.106 1.00 2.44 C ATOM 0 H ALA A 75 17.113 -4.478 15.401 1.00 55.11 H new ATOM 0 HA ALA A 75 19.878 -4.171 14.513 1.00 20.21 H new ATOM 0 HB1 ALA A 75 20.267 -6.585 14.366 1.00 2.44 H new ATOM 0 HB2 ALA A 75 20.084 -6.063 16.058 1.00 2.44 H new ATOM 0 HB3 ALA A 75 18.743 -6.892 15.233 1.00 2.44 H new ATOM 1268 N ILE A 76 18.704 -4.039 12.382 1.00 60.25 N ATOM 1269 CA ILE A 76 18.121 -4.014 11.051 1.00 43.34 C ATOM 1270 C ILE A 76 19.037 -4.766 10.083 1.00 4.30 C ATOM 1271 O ILE A 76 20.236 -4.893 10.329 1.00 32.04 O ATOM 1272 CB ILE A 76 17.824 -2.575 10.623 1.00 31.05 C ATOM 1273 CG1 ILE A 76 16.584 -2.514 9.729 1.00 43.14 C ATOM 1274 CG2 ILE A 76 19.044 -1.938 9.956 1.00 5.33 C ATOM 1275 CD1 ILE A 76 15.809 -1.214 9.954 1.00 62.14 C ATOM 0 H ILE A 76 19.407 -3.320 12.554 1.00 60.25 H new ATOM 0 HA ILE A 76 17.160 -4.529 11.047 1.00 43.34 H new ATOM 0 HB ILE A 76 17.605 -1.991 11.517 1.00 31.05 H new ATOM 0 HG12 ILE A 76 16.882 -2.588 8.683 1.00 43.14 H new ATOM 0 HG13 ILE A 76 15.938 -3.367 9.938 1.00 43.14 H new ATOM 0 HG21 ILE A 76 18.806 -0.916 9.662 1.00 5.33 H new ATOM 0 HG22 ILE A 76 19.878 -1.928 10.657 1.00 5.33 H new ATOM 0 HG23 ILE A 76 19.319 -2.515 9.073 1.00 5.33 H new ATOM 0 HD11 ILE A 76 14.932 -1.196 9.306 1.00 62.14 H new ATOM 0 HD12 ILE A 76 15.492 -1.155 10.995 1.00 62.14 H new ATOM 0 HD13 ILE A 76 16.450 -0.363 9.721 1.00 62.14 H new ATOM 1287 N PHE A 77 18.438 -5.244 9.002 1.00 25.14 N ATOM 1288 CA PHE A 77 19.186 -5.980 7.997 1.00 75.04 C ATOM 1289 C PHE A 77 18.774 -5.552 6.586 1.00 24.42 C ATOM 1290 O PHE A 77 17.588 -5.402 6.301 1.00 75.05 O ATOM 1291 CB PHE A 77 18.851 -7.461 8.186 1.00 50.15 C ATOM 1292 CG PHE A 77 19.085 -7.975 9.607 1.00 22.34 C ATOM 1293 CD1 PHE A 77 20.316 -8.423 9.975 1.00 52.15 C ATOM 1294 CD2 PHE A 77 18.063 -7.985 10.504 1.00 13.21 C ATOM 1295 CE1 PHE A 77 20.533 -8.900 11.294 1.00 22.22 C ATOM 1296 CE2 PHE A 77 18.280 -8.462 11.824 1.00 61.03 C ATOM 1297 CZ PHE A 77 19.511 -8.910 12.191 1.00 53.41 C ATOM 0 H PHE A 77 17.444 -5.136 8.800 1.00 25.14 H new ATOM 0 HA PHE A 77 20.253 -5.787 8.110 1.00 75.04 H new ATOM 0 HB2 PHE A 77 17.807 -7.624 7.919 1.00 50.15 H new ATOM 0 HB3 PHE A 77 19.452 -8.050 7.494 1.00 50.15 H new ATOM 0 HD1 PHE A 77 21.128 -8.416 9.263 1.00 52.15 H new ATOM 0 HD2 PHE A 77 17.086 -7.630 10.212 1.00 13.21 H new ATOM 0 HE1 PHE A 77 21.510 -9.255 11.585 1.00 22.22 H new ATOM 0 HE2 PHE A 77 17.468 -8.469 12.536 1.00 61.03 H new ATOM 0 HZ PHE A 77 19.677 -9.273 13.194 1.00 53.41 H new ATOM 1307 N ILE A 78 19.779 -5.369 5.742 1.00 53.42 N ATOM 1308 CA ILE A 78 19.536 -4.961 4.368 1.00 25.22 C ATOM 1309 C ILE A 78 19.610 -6.188 3.457 1.00 44.35 C ATOM 1310 O ILE A 78 20.448 -7.066 3.658 1.00 14.02 O ATOM 1311 CB ILE A 78 20.494 -3.837 3.966 1.00 74.30 C ATOM 1312 CG1 ILE A 78 20.737 -2.880 5.134 1.00 30.04 C ATOM 1313 CG2 ILE A 78 19.988 -3.106 2.721 1.00 15.42 C ATOM 1314 CD1 ILE A 78 19.474 -2.079 5.459 1.00 24.23 C ATOM 0 H ILE A 78 20.762 -5.495 5.982 1.00 53.42 H new ATOM 0 HA ILE A 78 18.533 -4.546 4.264 1.00 25.22 H new ATOM 0 HB ILE A 78 21.456 -4.282 3.710 1.00 74.30 H new ATOM 0 HG12 ILE A 78 21.050 -3.445 6.012 1.00 30.04 H new ATOM 0 HG13 ILE A 78 21.551 -2.198 4.887 1.00 30.04 H new ATOM 0 HG21 ILE A 78 20.686 -2.312 2.456 1.00 15.42 H new ATOM 0 HG22 ILE A 78 19.908 -3.810 1.893 1.00 15.42 H new ATOM 0 HG23 ILE A 78 19.008 -2.674 2.926 1.00 15.42 H new ATOM 0 HD11 ILE A 78 19.674 -1.406 6.293 1.00 24.23 H new ATOM 0 HD12 ILE A 78 19.178 -1.497 4.586 1.00 24.23 H new ATOM 0 HD13 ILE A 78 18.669 -2.763 5.729 1.00 24.23 H new ATOM 1326 N PHE A 79 18.723 -6.208 2.473 1.00 60.51 N ATOM 1327 CA PHE A 79 18.677 -7.313 1.530 1.00 41.35 C ATOM 1328 C PHE A 79 18.737 -6.805 0.087 1.00 2.25 C ATOM 1329 O PHE A 79 17.797 -6.174 -0.392 1.00 15.32 O ATOM 1330 CB PHE A 79 17.345 -8.033 1.749 1.00 64.21 C ATOM 1331 CG PHE A 79 17.228 -8.724 3.109 1.00 3.01 C ATOM 1332 CD1 PHE A 79 16.830 -8.015 4.199 1.00 34.55 C ATOM 1333 CD2 PHE A 79 17.523 -10.046 3.228 1.00 71.31 C ATOM 1334 CE1 PHE A 79 16.721 -8.657 5.462 1.00 40.52 C ATOM 1335 CE2 PHE A 79 17.414 -10.687 4.490 1.00 23.43 C ATOM 1336 CZ PHE A 79 17.016 -9.979 5.581 1.00 53.14 C ATOM 0 H PHE A 79 18.031 -5.477 2.308 1.00 60.51 H new ATOM 0 HA PHE A 79 19.528 -7.975 1.690 1.00 41.35 H new ATOM 0 HB2 PHE A 79 16.533 -7.313 1.648 1.00 64.21 H new ATOM 0 HB3 PHE A 79 17.212 -8.776 0.963 1.00 64.21 H new ATOM 0 HD1 PHE A 79 16.597 -6.965 4.105 1.00 34.55 H new ATOM 0 HD2 PHE A 79 17.840 -10.608 2.362 1.00 71.31 H new ATOM 0 HE1 PHE A 79 16.404 -8.095 6.328 1.00 40.52 H new ATOM 0 HE2 PHE A 79 17.647 -11.737 4.584 1.00 23.43 H new ATOM 0 HZ PHE A 79 16.934 -10.467 6.541 1.00 53.14 H new ATOM 1346 N VAL A 80 19.853 -7.099 -0.564 1.00 33.32 N ATOM 1347 CA VAL A 80 20.048 -6.680 -1.941 1.00 72.44 C ATOM 1348 C VAL A 80 19.634 -7.816 -2.879 1.00 33.51 C ATOM 1349 O VAL A 80 20.177 -8.917 -2.804 1.00 21.43 O ATOM 1350 CB VAL A 80 21.495 -6.229 -2.151 1.00 72.54 C ATOM 1351 CG1 VAL A 80 21.688 -5.640 -3.550 1.00 12.01 C ATOM 1352 CG2 VAL A 80 21.920 -5.232 -1.072 1.00 41.11 C ATOM 0 H VAL A 80 20.631 -7.622 -0.163 1.00 33.32 H new ATOM 0 HA VAL A 80 19.417 -5.822 -2.172 1.00 72.44 H new ATOM 0 HB VAL A 80 22.136 -7.107 -2.066 1.00 72.54 H new ATOM 0 HG11 VAL A 80 22.725 -5.327 -3.673 1.00 12.01 H new ATOM 0 HG12 VAL A 80 21.445 -6.394 -4.299 1.00 12.01 H new ATOM 0 HG13 VAL A 80 21.032 -4.779 -3.676 1.00 12.01 H new ATOM 0 HG21 VAL A 80 22.952 -4.927 -1.244 1.00 41.11 H new ATOM 0 HG22 VAL A 80 21.272 -4.356 -1.110 1.00 41.11 H new ATOM 0 HG23 VAL A 80 21.839 -5.701 -0.091 1.00 41.11 H new ATOM 1362 N ASN A 81 18.675 -7.510 -3.741 1.00 21.04 N ATOM 1363 CA ASN A 81 18.182 -8.492 -4.692 1.00 11.43 C ATOM 1364 C ASN A 81 18.046 -9.847 -3.995 1.00 65.10 C ATOM 1365 O ASN A 81 18.538 -10.858 -4.495 1.00 1.22 O ATOM 1366 CB ASN A 81 19.150 -8.657 -5.864 1.00 64.53 C ATOM 1367 CG ASN A 81 18.851 -7.643 -6.970 1.00 62.52 C ATOM 1368 OD1 ASN A 81 19.841 -6.785 -7.199 1.00 21.01 O flip ATOM 1369 ND2 ASN A 81 17.792 -7.641 -7.576 1.00 14.41 N flip ATOM 0 H ASN A 81 18.226 -6.596 -3.801 1.00 21.04 H new ATOM 0 HA ASN A 81 17.219 -8.145 -5.067 1.00 11.43 H new ATOM 0 HB2 ASN A 81 20.174 -8.528 -5.515 1.00 64.53 H new ATOM 0 HB3 ASN A 81 19.074 -9.668 -6.263 1.00 64.53 H new ATOM 0 HD21 ASN A 81 17.074 -8.329 -7.350 1.00 14.41 H new ATOM 0 HD22 ASN A 81 17.625 -6.952 -8.309 1.00 14.41 H new ATOM 1376 N ASP A 82 17.377 -9.825 -2.852 1.00 3.33 N ATOM 1377 CA ASP A 82 17.171 -11.039 -2.081 1.00 60.33 C ATOM 1378 C ASP A 82 18.529 -11.640 -1.711 1.00 54.01 C ATOM 1379 O ASP A 82 18.722 -12.851 -1.806 1.00 44.14 O ATOM 1380 CB ASP A 82 16.398 -12.081 -2.892 1.00 63.34 C ATOM 1381 CG ASP A 82 15.191 -11.538 -3.660 1.00 64.21 C ATOM 1382 OD1 ASP A 82 15.299 -10.554 -4.406 1.00 44.31 O ATOM 1383 OD2 ASP A 82 14.088 -12.178 -3.465 1.00 65.45 O ATOM 0 H ASP A 82 16.970 -8.985 -2.441 1.00 3.33 H new ATOM 0 HA ASP A 82 16.600 -10.780 -1.189 1.00 60.33 H new ATOM 0 HB2 ASP A 82 17.081 -12.547 -3.602 1.00 63.34 H new ATOM 0 HB3 ASP A 82 16.057 -12.865 -2.216 1.00 63.34 H new ATOM 1389 N THR A 83 19.434 -10.766 -1.297 1.00 15.54 N ATOM 1390 CA THR A 83 20.767 -11.194 -0.912 1.00 24.43 C ATOM 1391 C THR A 83 21.259 -10.390 0.293 1.00 21.35 C ATOM 1392 O THR A 83 20.811 -9.267 0.519 1.00 24.13 O ATOM 1393 CB THR A 83 21.676 -11.070 -2.136 1.00 72.45 C ATOM 1394 OG1 THR A 83 22.625 -12.120 -1.972 1.00 45.11 O ATOM 1395 CG2 THR A 83 22.521 -9.795 -2.112 1.00 24.53 C ATOM 0 H THR A 83 19.270 -9.762 -1.220 1.00 15.54 H new ATOM 0 HA THR A 83 20.770 -12.236 -0.591 1.00 24.43 H new ATOM 0 HB THR A 83 21.069 -11.085 -3.041 1.00 72.45 H new ATOM 0 HG1 THR A 83 23.253 -12.114 -2.724 1.00 45.11 H new ATOM 0 HG21 THR A 83 23.148 -9.757 -3.003 1.00 24.53 H new ATOM 0 HG22 THR A 83 21.865 -8.924 -2.092 1.00 24.53 H new ATOM 0 HG23 THR A 83 23.153 -9.794 -1.224 1.00 24.53 H new ATOM 1403 N LEU A 84 22.174 -10.997 1.036 1.00 54.12 N ATOM 1404 CA LEU A 84 22.731 -10.351 2.212 1.00 30.43 C ATOM 1405 C LEU A 84 24.258 -10.345 2.110 1.00 15.01 C ATOM 1406 O LEU A 84 24.915 -11.300 2.521 1.00 52.00 O ATOM 1407 CB LEU A 84 22.203 -11.012 3.487 1.00 73.40 C ATOM 1408 CG LEU A 84 22.010 -10.089 4.691 1.00 5.44 C ATOM 1409 CD1 LEU A 84 20.569 -9.582 4.770 1.00 71.45 C ATOM 1410 CD2 LEU A 84 22.447 -10.777 5.986 1.00 60.40 C ATOM 0 H LEU A 84 22.543 -11.929 0.846 1.00 54.12 H new ATOM 0 HA LEU A 84 22.410 -9.311 2.263 1.00 30.43 H new ATOM 0 HB2 LEU A 84 21.247 -11.483 3.259 1.00 73.40 H new ATOM 0 HB3 LEU A 84 22.891 -11.808 3.771 1.00 73.40 H new ATOM 0 HG LEU A 84 22.651 -9.217 4.557 1.00 5.44 H new ATOM 0 HD11 LEU A 84 20.460 -8.928 5.635 1.00 71.45 H new ATOM 0 HD12 LEU A 84 20.328 -9.027 3.863 1.00 71.45 H new ATOM 0 HD13 LEU A 84 19.890 -10.429 4.868 1.00 71.45 H new ATOM 0 HD21 LEU A 84 22.299 -10.099 6.826 1.00 60.40 H new ATOM 0 HD22 LEU A 84 21.852 -11.678 6.138 1.00 60.40 H new ATOM 0 HD23 LEU A 84 23.501 -11.045 5.918 1.00 60.40 H new ATOM 1422 N PRO A 85 24.791 -9.229 1.545 1.00 1.22 N ATOM 1423 CA PRO A 85 26.228 -9.085 1.384 1.00 71.43 C ATOM 1424 C PRO A 85 26.902 -8.773 2.721 1.00 15.54 C ATOM 1425 O PRO A 85 26.225 -8.518 3.717 1.00 41.55 O ATOM 1426 CB PRO A 85 26.400 -7.977 0.358 1.00 11.23 C ATOM 1427 CG PRO A 85 25.078 -7.226 0.330 1.00 23.41 C ATOM 1428 CD PRO A 85 24.043 -8.078 1.047 1.00 4.01 C ATOM 0 HA PRO A 85 26.707 -10.003 1.043 1.00 71.43 H new ATOM 0 HB2 PRO A 85 27.220 -7.314 0.633 1.00 11.23 H new ATOM 0 HB3 PRO A 85 26.637 -8.387 -0.624 1.00 11.23 H new ATOM 0 HG2 PRO A 85 25.179 -6.257 0.818 1.00 23.41 H new ATOM 0 HG3 PRO A 85 24.769 -7.035 -0.698 1.00 23.41 H new ATOM 0 HD2 PRO A 85 23.573 -7.528 1.863 1.00 4.01 H new ATOM 0 HD3 PRO A 85 23.246 -8.386 0.370 1.00 4.01 H new ATOM 1436 N PRO A 86 28.261 -8.803 2.701 1.00 0.13 N ATOM 1437 CA PRO A 86 29.034 -8.525 3.900 1.00 34.41 C ATOM 1438 C PRO A 86 29.037 -7.028 4.216 1.00 63.31 C ATOM 1439 O PRO A 86 28.790 -6.204 3.337 1.00 64.22 O ATOM 1440 CB PRO A 86 30.421 -9.075 3.610 1.00 11.30 C ATOM 1441 CG PRO A 86 30.504 -9.219 2.099 1.00 24.21 C ATOM 1442 CD PRO A 86 29.096 -9.101 1.541 1.00 34.10 C ATOM 0 HA PRO A 86 28.613 -8.993 4.790 1.00 34.41 H new ATOM 0 HB2 PRO A 86 31.194 -8.402 3.981 1.00 11.30 H new ATOM 0 HB3 PRO A 86 30.571 -10.036 4.103 1.00 11.30 H new ATOM 0 HG2 PRO A 86 31.148 -8.447 1.677 1.00 24.21 H new ATOM 0 HG3 PRO A 86 30.941 -10.181 1.831 1.00 24.21 H new ATOM 0 HD2 PRO A 86 29.031 -8.311 0.793 1.00 34.10 H new ATOM 0 HD3 PRO A 86 28.784 -10.026 1.055 1.00 34.10 H new ATOM 1450 N THR A 87 29.320 -6.722 5.474 1.00 60.15 N ATOM 1451 CA THR A 87 29.359 -5.339 5.916 1.00 2.33 C ATOM 1452 C THR A 87 30.623 -4.649 5.399 1.00 2.12 C ATOM 1453 O THR A 87 30.745 -3.428 5.479 1.00 1.40 O ATOM 1454 CB THR A 87 29.241 -5.327 7.442 1.00 43.04 C ATOM 1455 OG1 THR A 87 29.557 -3.985 7.804 1.00 60.50 O ATOM 1456 CG2 THR A 87 30.330 -6.162 8.120 1.00 55.04 C ATOM 0 H THR A 87 29.524 -7.408 6.200 1.00 60.15 H new ATOM 0 HA THR A 87 28.525 -4.769 5.506 1.00 2.33 H new ATOM 0 HB THR A 87 28.260 -5.704 7.733 1.00 43.04 H new ATOM 0 HG1 THR A 87 29.881 -3.501 7.016 1.00 60.50 H new ATOM 0 HG21 THR A 87 30.201 -6.120 9.201 1.00 55.04 H new ATOM 0 HG22 THR A 87 30.256 -7.197 7.786 1.00 55.04 H new ATOM 0 HG23 THR A 87 31.310 -5.765 7.856 1.00 55.04 H new ATOM 1464 N ALA A 88 31.532 -5.461 4.881 1.00 61.55 N ATOM 1465 CA ALA A 88 32.782 -4.945 4.350 1.00 4.24 C ATOM 1466 C ALA A 88 32.599 -4.597 2.872 1.00 65.02 C ATOM 1467 O ALA A 88 33.259 -3.696 2.356 1.00 25.20 O ATOM 1468 CB ALA A 88 33.895 -5.971 4.575 1.00 50.12 C ATOM 0 H ALA A 88 31.428 -6.474 4.818 1.00 61.55 H new ATOM 0 HA ALA A 88 33.071 -4.032 4.870 1.00 4.24 H new ATOM 0 HB1 ALA A 88 34.833 -5.584 4.177 1.00 50.12 H new ATOM 0 HB2 ALA A 88 34.005 -6.160 5.643 1.00 50.12 H new ATOM 0 HB3 ALA A 88 33.641 -6.901 4.066 1.00 50.12 H new ATOM 1474 N ALA A 89 31.700 -5.330 2.231 1.00 2.44 N ATOM 1475 CA ALA A 89 31.422 -5.110 0.822 1.00 1.12 C ATOM 1476 C ALA A 89 31.259 -3.610 0.567 1.00 63.23 C ATOM 1477 O ALA A 89 30.632 -2.907 1.357 1.00 1.31 O ATOM 1478 CB ALA A 89 30.182 -5.909 0.416 1.00 40.41 C ATOM 0 H ALA A 89 31.155 -6.077 2.662 1.00 2.44 H new ATOM 0 HA ALA A 89 32.251 -5.460 0.207 1.00 1.12 H new ATOM 0 HB1 ALA A 89 29.973 -5.744 -0.641 1.00 40.41 H new ATOM 0 HB2 ALA A 89 30.360 -6.970 0.590 1.00 40.41 H new ATOM 0 HB3 ALA A 89 29.328 -5.582 1.010 1.00 40.41 H new ATOM 1484 N LEU A 90 31.835 -3.165 -0.540 1.00 61.04 N ATOM 1485 CA LEU A 90 31.762 -1.762 -0.910 1.00 13.31 C ATOM 1486 C LEU A 90 30.511 -1.527 -1.760 1.00 64.41 C ATOM 1487 O LEU A 90 30.237 -2.286 -2.689 1.00 11.40 O ATOM 1488 CB LEU A 90 33.059 -1.318 -1.589 1.00 0.12 C ATOM 1489 CG LEU A 90 33.542 0.095 -1.255 1.00 15.24 C ATOM 1490 CD1 LEU A 90 33.771 0.255 0.250 1.00 71.34 C ATOM 1491 CD2 LEU A 90 34.788 0.455 -2.066 1.00 12.22 C ATOM 0 H LEU A 90 32.355 -3.752 -1.193 1.00 61.04 H new ATOM 0 HA LEU A 90 31.666 -1.139 -0.021 1.00 13.31 H new ATOM 0 HB2 LEU A 90 33.846 -2.023 -1.320 1.00 0.12 H new ATOM 0 HB3 LEU A 90 32.923 -1.388 -2.668 1.00 0.12 H new ATOM 0 HG LEU A 90 32.760 0.799 -1.538 1.00 15.24 H new ATOM 0 HD11 LEU A 90 34.114 1.268 0.460 1.00 71.34 H new ATOM 0 HD12 LEU A 90 32.838 0.070 0.782 1.00 71.34 H new ATOM 0 HD13 LEU A 90 34.525 -0.459 0.581 1.00 71.34 H new ATOM 0 HD21 LEU A 90 35.110 1.464 -1.809 1.00 12.22 H new ATOM 0 HD22 LEU A 90 35.587 -0.250 -1.838 1.00 12.22 H new ATOM 0 HD23 LEU A 90 34.556 0.408 -3.130 1.00 12.22 H new ATOM 1503 N MET A 91 29.787 -0.474 -1.412 1.00 32.31 N ATOM 1504 CA MET A 91 28.572 -0.131 -2.131 1.00 41.54 C ATOM 1505 C MET A 91 28.877 0.207 -3.592 1.00 41.22 C ATOM 1506 O MET A 91 27.967 0.306 -4.413 1.00 54.13 O ATOM 1507 CB MET A 91 27.902 1.069 -1.459 1.00 5.51 C ATOM 1508 CG MET A 91 27.640 0.792 0.023 1.00 61.33 C ATOM 1509 SD MET A 91 26.700 -0.714 0.204 1.00 33.52 S ATOM 1510 CE MET A 91 25.068 -0.111 -0.195 1.00 71.24 C ATOM 0 H MET A 91 30.018 0.153 -0.642 1.00 32.31 H new ATOM 0 HA MET A 91 27.903 -0.992 -2.108 1.00 41.54 H new ATOM 0 HB2 MET A 91 28.537 1.949 -1.561 1.00 5.51 H new ATOM 0 HB3 MET A 91 26.962 1.294 -1.962 1.00 5.51 H new ATOM 0 HG2 MET A 91 28.586 0.707 0.558 1.00 61.33 H new ATOM 0 HG3 MET A 91 27.096 1.626 0.467 1.00 61.33 H new ATOM 0 HE1 MET A 91 24.319 -0.779 0.231 1.00 71.24 H new ATOM 0 HE2 MET A 91 24.939 0.889 0.218 1.00 71.24 H new ATOM 0 HE3 MET A 91 24.948 -0.075 -1.278 1.00 71.24 H new ATOM 1520 N SER A 92 30.161 0.375 -3.872 1.00 23.22 N ATOM 1521 CA SER A 92 30.598 0.699 -5.219 1.00 53.43 C ATOM 1522 C SER A 92 30.688 -0.575 -6.061 1.00 64.01 C ATOM 1523 O SER A 92 30.257 -0.594 -7.213 1.00 64.40 O ATOM 1524 CB SER A 92 31.946 1.422 -5.202 1.00 63.54 C ATOM 1525 OG SER A 92 33.025 0.532 -4.927 1.00 31.20 O ATOM 0 H SER A 92 30.913 0.293 -3.188 1.00 23.22 H new ATOM 0 HA SER A 92 29.863 1.369 -5.665 1.00 53.43 H new ATOM 0 HB2 SER A 92 32.111 1.905 -6.165 1.00 63.54 H new ATOM 0 HB3 SER A 92 31.925 2.210 -4.450 1.00 63.54 H new ATOM 0 HG SER A 92 33.866 0.933 -5.232 1.00 31.20 H new ATOM 1531 N ALA A 93 31.252 -1.609 -5.453 1.00 50.42 N ATOM 1532 CA ALA A 93 31.405 -2.884 -6.132 1.00 72.04 C ATOM 1533 C ALA A 93 30.073 -3.636 -6.101 1.00 71.24 C ATOM 1534 O ALA A 93 29.759 -4.388 -7.023 1.00 54.53 O ATOM 1535 CB ALA A 93 32.538 -3.678 -5.479 1.00 40.22 C ATOM 0 H ALA A 93 31.608 -1.589 -4.497 1.00 50.42 H new ATOM 0 HA ALA A 93 31.674 -2.732 -7.177 1.00 72.04 H new ATOM 0 HB1 ALA A 93 32.653 -4.635 -5.989 1.00 40.22 H new ATOM 0 HB2 ALA A 93 33.468 -3.114 -5.553 1.00 40.22 H new ATOM 0 HB3 ALA A 93 32.302 -3.852 -4.429 1.00 40.22 H new ATOM 1541 N ILE A 94 29.326 -3.408 -5.031 1.00 73.04 N ATOM 1542 CA ILE A 94 28.035 -4.055 -4.868 1.00 52.22 C ATOM 1543 C ILE A 94 27.062 -3.513 -5.917 1.00 73.34 C ATOM 1544 O ILE A 94 26.562 -4.266 -6.752 1.00 52.44 O ATOM 1545 CB ILE A 94 27.536 -3.901 -3.430 1.00 4.12 C ATOM 1546 CG1 ILE A 94 28.456 -4.633 -2.450 1.00 12.32 C ATOM 1547 CG2 ILE A 94 26.082 -4.358 -3.302 1.00 31.13 C ATOM 1548 CD1 ILE A 94 28.248 -6.146 -2.529 1.00 61.43 C ATOM 0 H ILE A 94 29.590 -2.784 -4.268 1.00 73.04 H new ATOM 0 HA ILE A 94 28.123 -5.128 -5.037 1.00 52.22 H new ATOM 0 HB ILE A 94 27.564 -2.843 -3.170 1.00 4.12 H new ATOM 0 HG12 ILE A 94 29.496 -4.393 -2.673 1.00 12.32 H new ATOM 0 HG13 ILE A 94 28.260 -4.288 -1.435 1.00 12.32 H new ATOM 0 HG21 ILE A 94 25.752 -4.238 -2.270 1.00 31.13 H new ATOM 0 HG22 ILE A 94 25.452 -3.755 -3.956 1.00 31.13 H new ATOM 0 HG23 ILE A 94 26.004 -5.407 -3.588 1.00 31.13 H new ATOM 0 HD11 ILE A 94 28.914 -6.642 -1.823 1.00 61.43 H new ATOM 0 HD12 ILE A 94 27.214 -6.384 -2.282 1.00 61.43 H new ATOM 0 HD13 ILE A 94 28.468 -6.491 -3.539 1.00 61.43 H new ATOM 1560 N TYR A 95 26.822 -2.213 -5.840 1.00 41.54 N ATOM 1561 CA TYR A 95 25.918 -1.562 -6.773 1.00 53.41 C ATOM 1562 C TYR A 95 26.376 -1.771 -8.218 1.00 31.12 C ATOM 1563 O TYR A 95 25.571 -1.695 -9.145 1.00 63.41 O ATOM 1564 CB TYR A 95 25.975 -0.069 -6.444 1.00 3.42 C ATOM 1565 CG TYR A 95 25.235 0.819 -7.446 1.00 73.43 C ATOM 1566 CD1 TYR A 95 25.760 1.023 -8.706 1.00 54.14 C ATOM 1567 CD2 TYR A 95 24.042 1.415 -7.091 1.00 32.42 C ATOM 1568 CE1 TYR A 95 25.063 1.858 -9.650 1.00 14.10 C ATOM 1569 CE2 TYR A 95 23.345 2.250 -8.034 1.00 72.34 C ATOM 1570 CZ TYR A 95 23.890 2.430 -9.267 1.00 55.24 C ATOM 1571 OH TYR A 95 23.231 3.219 -10.159 1.00 22.14 O ATOM 0 H TYR A 95 27.238 -1.592 -5.146 1.00 41.54 H new ATOM 0 HA TYR A 95 24.912 -1.972 -6.682 1.00 53.41 H new ATOM 0 HB2 TYR A 95 25.552 0.090 -5.452 1.00 3.42 H new ATOM 0 HB3 TYR A 95 27.018 0.243 -6.399 1.00 3.42 H new ATOM 0 HD1 TYR A 95 26.694 0.556 -8.984 1.00 54.14 H new ATOM 0 HD2 TYR A 95 23.631 1.255 -6.105 1.00 32.42 H new ATOM 0 HE1 TYR A 95 25.463 2.026 -10.639 1.00 14.10 H new ATOM 0 HE2 TYR A 95 22.411 2.723 -7.768 1.00 72.34 H new ATOM 0 HH TYR A 95 22.714 2.657 -10.773 1.00 22.14 H new ATOM 1581 N GLN A 96 27.667 -2.030 -8.364 1.00 31.42 N ATOM 1582 CA GLN A 96 28.242 -2.251 -9.680 1.00 32.41 C ATOM 1583 C GLN A 96 27.665 -3.524 -10.304 1.00 51.53 C ATOM 1584 O GLN A 96 27.381 -3.558 -11.500 1.00 74.35 O ATOM 1585 CB GLN A 96 29.768 -2.320 -9.607 1.00 24.11 C ATOM 1586 CG GLN A 96 30.398 -0.992 -10.032 1.00 10.24 C ATOM 1587 CD GLN A 96 31.807 -0.844 -9.455 1.00 3.24 C ATOM 1588 OE1 GLN A 96 32.555 -1.799 -9.322 1.00 0.34 O ATOM 1589 NE2 GLN A 96 32.127 0.403 -9.121 1.00 10.24 N ATOM 0 H GLN A 96 28.331 -2.092 -7.592 1.00 31.42 H new ATOM 0 HA GLN A 96 27.979 -1.406 -10.316 1.00 32.41 H new ATOM 0 HB2 GLN A 96 30.076 -2.564 -8.590 1.00 24.11 H new ATOM 0 HB3 GLN A 96 30.131 -3.121 -10.251 1.00 24.11 H new ATOM 0 HG2 GLN A 96 30.439 -0.937 -11.120 1.00 10.24 H new ATOM 0 HG3 GLN A 96 29.774 -0.165 -9.694 1.00 10.24 H new ATOM 0 HE21 GLN A 96 31.454 1.157 -9.259 1.00 10.24 H new ATOM 0 HE22 GLN A 96 33.046 0.606 -8.727 1.00 10.24 H new ATOM 1598 N GLU A 97 27.509 -4.538 -9.466 1.00 44.22 N ATOM 1599 CA GLU A 97 26.972 -5.809 -9.921 1.00 54.20 C ATOM 1600 C GLU A 97 25.535 -5.985 -9.425 1.00 71.22 C ATOM 1601 O GLU A 97 24.894 -6.995 -9.714 1.00 43.32 O ATOM 1602 CB GLU A 97 27.855 -6.972 -9.467 1.00 21.15 C ATOM 1603 CG GLU A 97 29.092 -7.103 -10.358 1.00 54.43 C ATOM 1604 CD GLU A 97 29.770 -8.459 -10.160 1.00 21.53 C ATOM 1605 OE1 GLU A 97 30.971 -8.514 -9.855 1.00 12.40 O ATOM 1606 OE2 GLU A 97 29.004 -9.483 -10.332 1.00 54.31 O ATOM 0 H GLU A 97 27.745 -4.505 -8.474 1.00 44.22 H new ATOM 0 HA GLU A 97 26.963 -5.808 -11.011 1.00 54.20 H new ATOM 0 HB2 GLU A 97 28.162 -6.817 -8.433 1.00 21.15 H new ATOM 0 HB3 GLU A 97 27.283 -7.899 -9.494 1.00 21.15 H new ATOM 0 HG2 GLU A 97 28.806 -6.985 -11.403 1.00 54.43 H new ATOM 0 HG3 GLU A 97 29.796 -6.303 -10.128 1.00 54.43 H new ATOM 1614 N HIS A 98 25.071 -4.988 -8.687 1.00 52.41 N ATOM 1615 CA HIS A 98 23.722 -5.020 -8.148 1.00 53.24 C ATOM 1616 C HIS A 98 22.877 -3.932 -8.815 1.00 11.04 C ATOM 1617 O HIS A 98 21.665 -3.872 -8.614 1.00 72.22 O ATOM 1618 CB HIS A 98 23.743 -4.903 -6.623 1.00 71.21 C ATOM 1619 CG HIS A 98 24.185 -6.163 -5.917 1.00 14.11 C ATOM 1620 ND1 HIS A 98 25.366 -6.479 -5.313 1.00 54.41 N flip ATOM 1621 CD2 HIS A 98 23.367 -7.271 -5.778 1.00 42.52 C flip ATOM 1622 CE1 HIS A 98 25.275 -7.711 -4.830 1.00 73.41 C flip ATOM 1623 NE2 HIS A 98 24.036 -8.204 -5.118 1.00 75.44 N flip ATOM 0 H HIS A 98 25.605 -4.152 -8.449 1.00 52.41 H new ATOM 0 HA HIS A 98 23.259 -5.981 -8.374 1.00 53.24 H new ATOM 0 HB2 HIS A 98 24.409 -4.088 -6.340 1.00 71.21 H new ATOM 0 HB3 HIS A 98 22.745 -4.635 -6.275 1.00 71.21 H new ATOM 0 HD2 HIS A 98 22.355 -7.360 -6.145 1.00 42.52 H new ATOM 0 HE1 HIS A 98 26.053 -8.237 -4.297 1.00 73.41 H new ATOM 0 HE2 HIS A 98 23.686 -9.129 -4.869 1.00 75.44 H new ATOM 1631 N LYS A 99 23.551 -3.099 -9.594 1.00 13.44 N ATOM 1632 CA LYS A 99 22.877 -2.016 -10.291 1.00 4.14 C ATOM 1633 C LYS A 99 21.711 -2.584 -11.101 1.00 33.51 C ATOM 1634 O LYS A 99 21.853 -3.610 -11.765 1.00 41.12 O ATOM 1635 CB LYS A 99 23.876 -1.215 -11.129 1.00 61.50 C ATOM 1636 CG LYS A 99 23.180 -0.536 -12.310 1.00 40.00 C ATOM 1637 CD LYS A 99 23.249 -1.410 -13.564 1.00 32.12 C ATOM 1638 CE LYS A 99 24.676 -1.471 -14.112 1.00 52.13 C ATOM 1639 NZ LYS A 99 24.712 -2.237 -15.378 1.00 24.10 N ATOM 0 H LYS A 99 24.556 -3.152 -9.758 1.00 13.44 H new ATOM 0 HA LYS A 99 22.455 -1.308 -9.578 1.00 4.14 H new ATOM 0 HB2 LYS A 99 24.359 -0.463 -10.505 1.00 61.50 H new ATOM 0 HB3 LYS A 99 24.661 -1.876 -11.496 1.00 61.50 H new ATOM 0 HG2 LYS A 99 22.138 -0.338 -12.058 1.00 40.00 H new ATOM 0 HG3 LYS A 99 23.649 0.428 -12.508 1.00 40.00 H new ATOM 0 HD2 LYS A 99 22.902 -2.416 -13.330 1.00 32.12 H new ATOM 0 HD3 LYS A 99 22.580 -1.012 -14.326 1.00 32.12 H new ATOM 0 HE2 LYS A 99 25.051 -0.461 -14.280 1.00 52.13 H new ATOM 0 HE3 LYS A 99 25.334 -1.937 -13.379 1.00 52.13 H new ATOM 0 HZ1 LYS A 99 25.688 -2.269 -15.737 1.00 24.10 H new ATOM 0 HZ2 LYS A 99 24.374 -3.206 -15.207 1.00 24.10 H new ATOM 0 HZ3 LYS A 99 24.100 -1.775 -16.081 1.00 24.10 H new ATOM 1652 N ASP A 100 20.583 -1.894 -11.019 1.00 42.43 N ATOM 1653 CA ASP A 100 19.393 -2.317 -11.737 1.00 14.12 C ATOM 1654 C ASP A 100 19.497 -1.872 -13.197 1.00 10.32 C ATOM 1655 O ASP A 100 20.485 -1.255 -13.592 1.00 51.23 O ATOM 1656 CB ASP A 100 18.135 -1.684 -11.138 1.00 52.03 C ATOM 1657 CG ASP A 100 17.488 -2.479 -10.002 1.00 64.44 C ATOM 1658 OD1 ASP A 100 18.108 -2.715 -8.954 1.00 41.24 O ATOM 1659 OD2 ASP A 100 16.280 -2.869 -10.229 1.00 32.21 O ATOM 0 H ASP A 100 20.468 -1.045 -10.466 1.00 42.43 H new ATOM 0 HA ASP A 100 19.322 -3.402 -11.662 1.00 14.12 H new ATOM 0 HB2 ASP A 100 18.388 -0.690 -10.768 1.00 52.03 H new ATOM 0 HB3 ASP A 100 17.400 -1.551 -11.932 1.00 52.03 H new ATOM 1665 N LYS A 101 18.464 -2.202 -13.958 1.00 41.21 N ATOM 1666 CA LYS A 101 18.427 -1.844 -15.366 1.00 2.32 C ATOM 1667 C LYS A 101 17.954 -0.396 -15.507 1.00 54.30 C ATOM 1668 O LYS A 101 17.904 0.140 -16.613 1.00 72.22 O ATOM 1669 CB LYS A 101 17.581 -2.847 -16.152 1.00 33.01 C ATOM 1670 CG LYS A 101 18.131 -4.267 -15.999 1.00 55.30 C ATOM 1671 CD LYS A 101 18.943 -4.676 -17.230 1.00 14.44 C ATOM 1672 CE LYS A 101 19.724 -5.965 -16.967 1.00 50.53 C ATOM 1673 NZ LYS A 101 18.828 -7.140 -17.050 1.00 11.45 N ATOM 0 H LYS A 101 17.646 -2.713 -13.626 1.00 41.21 H new ATOM 0 HA LYS A 101 19.426 -1.897 -15.799 1.00 2.32 H new ATOM 0 HB2 LYS A 101 16.550 -2.813 -15.800 1.00 33.01 H new ATOM 0 HB3 LYS A 101 17.568 -2.570 -17.206 1.00 33.01 H new ATOM 0 HG2 LYS A 101 18.759 -4.324 -15.110 1.00 55.30 H new ATOM 0 HG3 LYS A 101 17.308 -4.966 -15.853 1.00 55.30 H new ATOM 0 HD2 LYS A 101 18.275 -4.818 -18.080 1.00 14.44 H new ATOM 0 HD3 LYS A 101 19.634 -3.876 -17.497 1.00 14.44 H new ATOM 0 HE2 LYS A 101 20.530 -6.063 -17.694 1.00 50.53 H new ATOM 0 HE3 LYS A 101 20.187 -5.922 -15.981 1.00 50.53 H new ATOM 0 HZ1 LYS A 101 19.374 -8.006 -16.869 1.00 11.45 H new ATOM 0 HZ2 LYS A 101 18.073 -7.052 -16.340 1.00 11.45 H new ATOM 0 HZ3 LYS A 101 18.406 -7.189 -17.999 1.00 11.45 H new ATOM 1686 N ASP A 102 17.618 0.197 -14.371 1.00 33.14 N ATOM 1687 CA ASP A 102 17.150 1.572 -14.354 1.00 11.43 C ATOM 1688 C ASP A 102 18.211 2.460 -13.700 1.00 64.42 C ATOM 1689 O ASP A 102 17.980 3.646 -13.474 1.00 43.43 O ATOM 1690 CB ASP A 102 15.859 1.705 -13.543 1.00 51.15 C ATOM 1691 CG ASP A 102 14.906 2.802 -14.021 1.00 54.41 C ATOM 1692 OD1 ASP A 102 13.687 2.592 -14.118 1.00 44.32 O ATOM 1693 OD2 ASP A 102 15.468 3.928 -14.304 1.00 3.32 O ATOM 0 H ASP A 102 17.661 -0.250 -13.455 1.00 33.14 H new ATOM 0 HA ASP A 102 16.963 1.876 -15.384 1.00 11.43 H new ATOM 0 HB2 ASP A 102 15.332 0.751 -13.567 1.00 51.15 H new ATOM 0 HB3 ASP A 102 16.120 1.899 -12.502 1.00 51.15 H new ATOM 1699 N GLY A 103 19.352 1.850 -13.415 1.00 25.30 N ATOM 1700 CA GLY A 103 20.450 2.569 -12.792 1.00 3.41 C ATOM 1701 C GLY A 103 20.394 2.443 -11.268 1.00 41.22 C ATOM 1702 O GLY A 103 21.289 1.862 -10.656 1.00 41.24 O ATOM 0 H GLY A 103 19.540 0.865 -13.604 1.00 25.30 H new ATOM 0 HA2 GLY A 103 21.399 2.178 -13.158 1.00 3.41 H new ATOM 0 HA3 GLY A 103 20.408 3.621 -13.075 1.00 3.41 H new ATOM 1706 N PHE A 104 19.333 2.997 -10.699 1.00 44.02 N ATOM 1707 CA PHE A 104 19.149 2.954 -9.259 1.00 33.24 C ATOM 1708 C PHE A 104 19.420 1.550 -8.713 1.00 11.31 C ATOM 1709 O PHE A 104 19.610 0.608 -9.480 1.00 43.14 O ATOM 1710 CB PHE A 104 17.689 3.322 -8.984 1.00 24.24 C ATOM 1711 CG PHE A 104 17.482 4.782 -8.578 1.00 12.41 C ATOM 1712 CD1 PHE A 104 17.964 5.233 -7.389 1.00 21.12 C ATOM 1713 CD2 PHE A 104 16.815 5.630 -9.406 1.00 50.14 C ATOM 1714 CE1 PHE A 104 17.772 6.589 -7.012 1.00 75.53 C ATOM 1715 CE2 PHE A 104 16.622 6.986 -9.030 1.00 24.41 C ATOM 1716 CZ PHE A 104 17.105 7.436 -7.841 1.00 12.22 C ATOM 0 H PHE A 104 18.592 3.478 -11.210 1.00 44.02 H new ATOM 0 HA PHE A 104 19.841 3.643 -8.775 1.00 33.24 H new ATOM 0 HB2 PHE A 104 17.099 3.117 -9.877 1.00 24.24 H new ATOM 0 HB3 PHE A 104 17.305 2.678 -8.193 1.00 24.24 H new ATOM 0 HD1 PHE A 104 18.493 4.560 -6.731 1.00 21.12 H new ATOM 0 HD2 PHE A 104 16.432 5.272 -10.350 1.00 50.14 H new ATOM 0 HE1 PHE A 104 18.155 6.947 -6.068 1.00 75.53 H new ATOM 0 HE2 PHE A 104 16.092 7.659 -9.688 1.00 24.41 H new ATOM 0 HZ PHE A 104 16.959 8.467 -7.555 1.00 12.22 H new ATOM 1726 N LEU A 105 19.429 1.455 -7.391 1.00 51.45 N ATOM 1727 CA LEU A 105 19.674 0.183 -6.734 1.00 74.11 C ATOM 1728 C LEU A 105 18.423 -0.234 -5.958 1.00 31.12 C ATOM 1729 O LEU A 105 17.922 0.523 -5.127 1.00 63.34 O ATOM 1730 CB LEU A 105 20.935 0.259 -5.872 1.00 65.03 C ATOM 1731 CG LEU A 105 21.750 -1.031 -5.760 1.00 60.42 C ATOM 1732 CD1 LEU A 105 22.226 -1.500 -7.136 1.00 64.24 C ATOM 1733 CD2 LEU A 105 22.911 -0.863 -4.778 1.00 63.24 C ATOM 0 H LEU A 105 19.270 2.239 -6.758 1.00 51.45 H new ATOM 0 HA LEU A 105 19.867 -0.596 -7.472 1.00 74.11 H new ATOM 0 HB2 LEU A 105 21.580 1.039 -6.276 1.00 65.03 H new ATOM 0 HB3 LEU A 105 20.647 0.571 -4.868 1.00 65.03 H new ATOM 0 HG LEU A 105 21.102 -1.811 -5.361 1.00 60.42 H new ATOM 0 HD11 LEU A 105 22.803 -2.419 -7.028 1.00 64.24 H new ATOM 0 HD12 LEU A 105 21.363 -1.686 -7.775 1.00 64.24 H new ATOM 0 HD13 LEU A 105 22.852 -0.730 -7.587 1.00 64.24 H new ATOM 0 HD21 LEU A 105 23.474 -1.794 -4.717 1.00 63.24 H new ATOM 0 HD22 LEU A 105 23.567 -0.064 -5.124 1.00 63.24 H new ATOM 0 HD23 LEU A 105 22.520 -0.610 -3.792 1.00 63.24 H new ATOM 1745 N TYR A 106 17.954 -1.437 -6.256 1.00 0.13 N ATOM 1746 CA TYR A 106 16.771 -1.964 -5.596 1.00 43.42 C ATOM 1747 C TYR A 106 17.153 -2.824 -4.390 1.00 4.11 C ATOM 1748 O TYR A 106 17.755 -3.885 -4.546 1.00 22.33 O ATOM 1749 CB TYR A 106 16.067 -2.843 -6.632 1.00 1.43 C ATOM 1750 CG TYR A 106 15.131 -2.074 -7.567 1.00 20.24 C ATOM 1751 CD1 TYR A 106 15.623 -1.044 -8.342 1.00 10.33 C ATOM 1752 CD2 TYR A 106 13.794 -2.412 -7.635 1.00 4.41 C ATOM 1753 CE1 TYR A 106 14.742 -0.321 -9.222 1.00 11.55 C ATOM 1754 CE2 TYR A 106 12.913 -1.688 -8.515 1.00 23.42 C ATOM 1755 CZ TYR A 106 13.431 -0.678 -9.265 1.00 35.53 C ATOM 1756 OH TYR A 106 12.598 0.005 -10.096 1.00 23.53 O ATOM 0 H TYR A 106 18.372 -2.062 -6.946 1.00 0.13 H new ATOM 0 HA TYR A 106 16.138 -1.152 -5.237 1.00 43.42 H new ATOM 0 HB2 TYR A 106 16.820 -3.356 -7.230 1.00 1.43 H new ATOM 0 HB3 TYR A 106 15.494 -3.611 -6.113 1.00 1.43 H new ATOM 0 HD1 TYR A 106 16.669 -0.780 -8.289 1.00 10.33 H new ATOM 0 HD2 TYR A 106 13.409 -3.219 -7.029 1.00 4.41 H new ATOM 0 HE1 TYR A 106 15.114 0.487 -9.834 1.00 11.55 H new ATOM 0 HE2 TYR A 106 11.865 -1.941 -8.578 1.00 23.42 H new ATOM 0 HH TYR A 106 11.691 -0.360 -10.023 1.00 23.53 H new ATOM 1766 N VAL A 107 16.788 -2.334 -3.214 1.00 41.15 N ATOM 1767 CA VAL A 107 17.085 -3.045 -1.982 1.00 40.43 C ATOM 1768 C VAL A 107 15.927 -2.858 -0.999 1.00 64.25 C ATOM 1769 O VAL A 107 15.088 -1.978 -1.183 1.00 2.20 O ATOM 1770 CB VAL A 107 18.429 -2.577 -1.419 1.00 54.22 C ATOM 1771 CG1 VAL A 107 18.562 -1.056 -1.513 1.00 4.44 C ATOM 1772 CG2 VAL A 107 18.616 -3.056 0.021 1.00 21.55 C ATOM 0 H VAL A 107 16.289 -1.453 -3.088 1.00 41.15 H new ATOM 0 HA VAL A 107 17.182 -4.114 -2.171 1.00 40.43 H new ATOM 0 HB VAL A 107 19.219 -3.020 -2.025 1.00 54.22 H new ATOM 0 HG11 VAL A 107 19.526 -0.749 -1.106 1.00 4.44 H new ATOM 0 HG12 VAL A 107 18.494 -0.749 -2.557 1.00 4.44 H new ATOM 0 HG13 VAL A 107 17.761 -0.585 -0.943 1.00 4.44 H new ATOM 0 HG21 VAL A 107 19.579 -2.710 0.397 1.00 21.55 H new ATOM 0 HG22 VAL A 107 17.817 -2.655 0.645 1.00 21.55 H new ATOM 0 HG23 VAL A 107 18.586 -4.145 0.049 1.00 21.55 H new ATOM 1782 N THR A 108 15.919 -3.701 0.023 1.00 64.35 N ATOM 1783 CA THR A 108 14.879 -3.641 1.035 1.00 54.44 C ATOM 1784 C THR A 108 15.469 -3.897 2.423 1.00 51.04 C ATOM 1785 O THR A 108 16.242 -4.835 2.609 1.00 65.04 O ATOM 1786 CB THR A 108 13.783 -4.636 0.647 1.00 63.02 C ATOM 1787 OG1 THR A 108 13.364 -4.205 -0.645 1.00 11.10 O ATOM 1788 CG2 THR A 108 12.530 -4.494 1.512 1.00 14.13 C ATOM 0 H THR A 108 16.617 -4.430 0.172 1.00 64.35 H new ATOM 0 HA THR A 108 14.433 -2.648 1.085 1.00 54.44 H new ATOM 0 HB THR A 108 14.169 -5.652 0.732 1.00 63.02 H new ATOM 0 HG1 THR A 108 12.655 -4.797 -0.973 1.00 11.10 H new ATOM 0 HG21 THR A 108 11.784 -5.223 1.195 1.00 14.13 H new ATOM 0 HG22 THR A 108 12.787 -4.669 2.557 1.00 14.13 H new ATOM 0 HG23 THR A 108 12.124 -3.488 1.402 1.00 14.13 H new ATOM 1796 N TYR A 109 15.081 -3.046 3.362 1.00 63.44 N ATOM 1797 CA TYR A 109 15.563 -3.169 4.727 1.00 15.02 C ATOM 1798 C TYR A 109 14.444 -3.632 5.663 1.00 2.12 C ATOM 1799 O TYR A 109 13.288 -3.249 5.492 1.00 51.14 O ATOM 1800 CB TYR A 109 16.012 -1.767 5.143 1.00 30.03 C ATOM 1801 CG TYR A 109 14.859 -0.794 5.397 1.00 1.22 C ATOM 1802 CD1 TYR A 109 14.042 -0.964 6.496 1.00 54.21 C ATOM 1803 CD2 TYR A 109 14.637 0.254 4.527 1.00 14.52 C ATOM 1804 CE1 TYR A 109 12.957 -0.048 6.735 1.00 55.22 C ATOM 1805 CE2 TYR A 109 13.552 1.171 4.766 1.00 34.51 C ATOM 1806 CZ TYR A 109 12.765 0.974 5.858 1.00 0.11 C ATOM 1807 OH TYR A 109 11.740 1.839 6.084 1.00 43.33 O ATOM 0 H TYR A 109 14.439 -2.269 3.204 1.00 63.44 H new ATOM 0 HA TYR A 109 16.369 -3.901 4.786 1.00 15.02 H new ATOM 0 HB2 TYR A 109 16.615 -1.843 6.048 1.00 30.03 H new ATOM 0 HB3 TYR A 109 16.655 -1.357 4.365 1.00 30.03 H new ATOM 0 HD1 TYR A 109 14.216 -1.784 7.177 1.00 54.21 H new ATOM 0 HD2 TYR A 109 15.277 0.387 3.667 1.00 14.52 H new ATOM 0 HE1 TYR A 109 12.310 -0.170 7.591 1.00 55.22 H new ATOM 0 HE2 TYR A 109 13.368 1.996 4.094 1.00 34.51 H new ATOM 0 HH TYR A 109 11.575 1.906 7.048 1.00 43.33 H new ATOM 1817 N SER A 110 14.828 -4.449 6.633 1.00 71.22 N ATOM 1818 CA SER A 110 13.872 -4.968 7.596 1.00 30.41 C ATOM 1819 C SER A 110 14.546 -5.149 8.958 1.00 45.35 C ATOM 1820 O SER A 110 15.718 -5.517 9.030 1.00 11.21 O ATOM 1821 CB SER A 110 13.275 -6.294 7.120 1.00 71.01 C ATOM 1822 OG SER A 110 14.274 -7.293 6.932 1.00 40.41 O ATOM 0 H SER A 110 15.788 -4.764 6.773 1.00 71.22 H new ATOM 0 HA SER A 110 13.059 -4.248 7.692 1.00 30.41 H new ATOM 0 HB2 SER A 110 12.544 -6.645 7.849 1.00 71.01 H new ATOM 0 HB3 SER A 110 12.740 -6.135 6.183 1.00 71.01 H new ATOM 0 HG SER A 110 14.428 -7.765 7.777 1.00 40.41 H new ATOM 1828 N GLY A 111 13.778 -4.881 10.003 1.00 51.10 N ATOM 1829 CA GLY A 111 14.286 -5.009 11.358 1.00 24.01 C ATOM 1830 C GLY A 111 14.596 -6.470 11.692 1.00 41.22 C ATOM 1831 O GLY A 111 15.310 -6.753 12.653 1.00 40.24 O ATOM 0 H GLY A 111 12.807 -4.576 9.939 1.00 51.10 H new ATOM 0 HA2 GLY A 111 15.188 -4.407 11.470 1.00 24.01 H new ATOM 0 HA3 GLY A 111 13.553 -4.619 12.064 1.00 24.01 H new ATOM 1835 N GLU A 112 14.044 -7.359 10.880 1.00 54.14 N ATOM 1836 CA GLU A 112 14.252 -8.783 11.077 1.00 72.44 C ATOM 1837 C GLU A 112 15.166 -9.342 9.984 1.00 32.33 C ATOM 1838 O GLU A 112 15.321 -8.732 8.927 1.00 34.44 O ATOM 1839 CB GLU A 112 12.918 -9.533 11.112 1.00 4.43 C ATOM 1840 CG GLU A 112 13.127 -11.006 11.468 1.00 14.04 C ATOM 1841 CD GLU A 112 13.835 -11.149 12.817 1.00 62.21 C ATOM 1842 OE1 GLU A 112 13.264 -10.793 13.858 1.00 31.23 O ATOM 1843 OE2 GLU A 112 15.022 -11.652 12.759 1.00 73.23 O ATOM 0 H GLU A 112 13.453 -7.121 10.084 1.00 54.14 H new ATOM 0 HA GLU A 112 14.739 -8.929 12.041 1.00 72.44 H new ATOM 0 HB2 GLU A 112 12.255 -9.069 11.842 1.00 4.43 H new ATOM 0 HB3 GLU A 112 12.428 -9.456 10.142 1.00 4.43 H new ATOM 0 HG2 GLU A 112 12.164 -11.516 11.503 1.00 14.04 H new ATOM 0 HG3 GLU A 112 13.717 -11.492 10.690 1.00 14.04 H new ATOM 1851 N ASN A 113 15.747 -10.496 10.277 1.00 62.31 N ATOM 1852 CA ASN A 113 16.642 -11.144 9.333 1.00 73.23 C ATOM 1853 C ASN A 113 15.835 -12.085 8.436 1.00 32.50 C ATOM 1854 O ASN A 113 16.024 -13.300 8.476 1.00 35.31 O ATOM 1855 CB ASN A 113 17.701 -11.976 10.059 1.00 12.30 C ATOM 1856 CG ASN A 113 18.789 -12.444 9.091 1.00 4.51 C ATOM 1857 OD1 ASN A 113 18.978 -13.625 8.853 1.00 63.14 O ATOM 1858 ND2 ASN A 113 19.493 -11.454 8.549 1.00 53.34 N ATOM 0 H ASN A 113 15.616 -10.999 11.155 1.00 62.31 H new ATOM 0 HA ASN A 113 17.133 -10.367 8.747 1.00 73.23 H new ATOM 0 HB2 ASN A 113 18.149 -11.384 10.857 1.00 12.30 H new ATOM 0 HB3 ASN A 113 17.231 -12.840 10.529 1.00 12.30 H new ATOM 0 HD21 ASN A 113 20.243 -11.663 7.890 1.00 53.34 H new ATOM 0 HD22 ASN A 113 19.282 -10.486 8.792 1.00 53.34 H new ATOM 1865 N THR A 114 14.953 -11.489 7.648 1.00 14.30 N ATOM 1866 CA THR A 114 14.116 -12.259 6.743 1.00 43.51 C ATOM 1867 C THR A 114 14.562 -12.046 5.295 1.00 72.52 C ATOM 1868 O THR A 114 14.727 -10.911 4.852 1.00 4.24 O ATOM 1869 CB THR A 114 12.660 -11.864 6.995 1.00 74.15 C ATOM 1870 OG1 THR A 114 12.704 -10.448 7.142 1.00 0.43 O ATOM 1871 CG2 THR A 114 12.143 -12.364 8.345 1.00 14.42 C ATOM 0 H THR A 114 14.799 -10.481 7.617 1.00 14.30 H new ATOM 0 HA THR A 114 14.214 -13.329 6.926 1.00 43.51 H new ATOM 0 HB THR A 114 12.033 -12.262 6.197 1.00 74.15 H new ATOM 0 HG1 THR A 114 11.800 -10.108 7.307 1.00 0.43 H new ATOM 0 HG21 THR A 114 11.105 -12.057 8.474 1.00 14.42 H new ATOM 0 HG22 THR A 114 12.206 -13.452 8.379 1.00 14.42 H new ATOM 0 HG23 THR A 114 12.749 -11.941 9.146 1.00 14.42 H new ATOM 1879 N PHE A 115 14.743 -13.158 4.596 1.00 2.34 N ATOM 1880 CA PHE A 115 15.166 -13.108 3.207 1.00 3.12 C ATOM 1881 C PHE A 115 13.984 -13.341 2.265 1.00 15.10 C ATOM 1882 O PHE A 115 14.141 -13.308 1.046 1.00 71.24 O ATOM 1883 CB PHE A 115 16.188 -14.229 3.011 1.00 63.35 C ATOM 1884 CG PHE A 115 17.355 -14.188 3.999 1.00 23.12 C ATOM 1885 CD1 PHE A 115 17.188 -14.648 5.268 1.00 11.33 C ATOM 1886 CD2 PHE A 115 18.560 -13.692 3.609 1.00 11.10 C ATOM 1887 CE1 PHE A 115 18.271 -14.609 6.186 1.00 71.52 C ATOM 1888 CE2 PHE A 115 19.643 -13.654 4.527 1.00 50.44 C ATOM 1889 CZ PHE A 115 19.476 -14.113 5.796 1.00 74.23 C ATOM 0 H PHE A 115 14.604 -14.098 4.966 1.00 2.34 H new ATOM 0 HA PHE A 115 15.588 -12.129 2.981 1.00 3.12 H new ATOM 0 HB2 PHE A 115 15.681 -15.189 3.104 1.00 63.35 H new ATOM 0 HB3 PHE A 115 16.582 -14.174 1.996 1.00 63.35 H new ATOM 0 HD1 PHE A 115 16.232 -15.043 5.578 1.00 11.33 H new ATOM 0 HD2 PHE A 115 18.693 -13.327 2.601 1.00 11.10 H new ATOM 0 HE1 PHE A 115 18.138 -14.973 7.194 1.00 71.52 H new ATOM 0 HE2 PHE A 115 20.600 -13.260 4.217 1.00 50.44 H new ATOM 0 HZ PHE A 115 20.300 -14.084 6.494 1.00 74.23 H new ATOM 1899 N GLY A 116 12.826 -13.571 2.866 1.00 14.14 N ATOM 1900 CA GLY A 116 11.617 -13.809 2.096 1.00 33.22 C ATOM 1901 C GLY A 116 11.344 -15.308 1.954 1.00 52.01 C ATOM 1902 O GLY A 116 12.275 -16.109 1.889 1.00 42.42 O ATOM 0 H GLY A 116 12.699 -13.598 3.878 1.00 14.14 H new ATOM 0 HA2 GLY A 116 10.770 -13.326 2.583 1.00 33.22 H new ATOM 0 HA3 GLY A 116 11.716 -13.358 1.108 1.00 33.22 H new TER 1906 GLY A 116