USER MOD reduce.3.24.130724 H: found=0, std=0, add=917, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 917 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 29 MET CE :methyl -134:sc= -3.99! (180deg=-5.27!) USER MOD Set 1.2: A 35 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 1 MET CE :methyl 180:sc= -0.557 (180deg=-0.557) USER MOD Set 2.2: A -1 GLY N :NH3+ -147:sc= 0.00456 (180deg=0) USER MOD Set 3.1: A 6 CYS SG : rot -144:sc= 1.21 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 1.1 USER MOD Single : A 0 SER OG : rot 180:sc= 0 USER MOD Single : A 2 THR OG1 : rot 180:sc= -0.284 USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= 0.322 K(o=0.32,f=-1.3) USER MOD Single : A 17 SER OG : rot 180:sc= 0.161 USER MOD Single : A 20 LYS NZ :NH3+ -173:sc= -0.0038 (180deg=-0.0594) USER MOD Single : A 24 THR OG1 : rot 170:sc= 0.567 USER MOD Single : A 26 TYR OH : rot -177:sc= 1.27 USER MOD Single : A 27 GLN : amide:sc= -2.97! C(o=-3!,f=-3.5!) USER MOD Single : A 32 THR OG1 : rot -79:sc= 1.3 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 149:sc= 1.26 (180deg=0.996) USER MOD Single : A 48 LYS NZ :NH3+ 173:sc=-0.00409 (180deg=-0.0838) USER MOD Single : A 49 GLN : amide:sc= -0.23 K(o=-0.23,f=-3.3!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0.0344 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 71:sc= 1.19 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 30:sc= -0.388 USER MOD Single : A 68 GLN : amide:sc= -0.148 K(o=-0.15,f=-1.2) USER MOD Single : A 70 MET CE :methyl -159:sc= -0.226 (180deg=-0.959) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 ASN : amide:sc= -0.0244 K(o=-0.024,f=-2.9!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl 157:sc= -0.375 (180deg=-1.29) USER MOD Single : A 83 LYS NZ :NH3+ -171:sc=-0.00183 (180deg=-0.177) USER MOD Single : A 86 THR OG1 : rot 180:sc=0.000774 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0873) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 106 THR OG1 : rot 10:sc= 1.01 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -1 -0.790 -3.921 -29.555 1.00 42.24 N ATOM 2 CA GLY A -1 -0.392 -2.624 -29.016 1.00 34.13 C ATOM 3 C GLY A -1 -0.431 -2.631 -27.522 1.00 43.15 C ATOM 4 O GLY A -1 0.082 -3.556 -26.890 1.00 24.33 O ATOM 0 H1 GLY A -1 -0.267 -4.107 -30.434 1.00 42.24 H new ATOM 0 H2 GLY A -1 -0.576 -4.666 -28.861 1.00 42.24 H new ATOM 0 H3 GLY A -1 -1.811 -3.916 -29.754 1.00 42.24 H new ATOM 0 HA2 GLY A -1 0.614 -2.378 -29.356 1.00 34.13 H new ATOM 0 HA3 GLY A -1 -1.056 -1.848 -29.397 1.00 34.13 H new ATOM 10 N SER A 0 -1.029 -1.624 -26.949 1.00 21.21 N ATOM 11 CA SER A 0 -1.156 -1.533 -25.531 1.00 54.03 C ATOM 12 C SER A 0 -2.537 -2.028 -25.097 1.00 23.01 C ATOM 13 O SER A 0 -3.551 -1.370 -25.347 1.00 21.32 O ATOM 14 CB SER A 0 -0.940 -0.095 -25.099 1.00 32.21 C ATOM 15 OG SER A 0 0.325 0.380 -25.559 1.00 20.44 O ATOM 0 H SER A 0 -1.442 -0.843 -27.459 1.00 21.21 H new ATOM 0 HA SER A 0 -0.404 -2.161 -25.054 1.00 54.03 H new ATOM 0 HB2 SER A 0 -1.737 0.534 -25.495 1.00 32.21 H new ATOM 0 HB3 SER A 0 -0.989 -0.024 -24.012 1.00 32.21 H new ATOM 0 HG SER A 0 0.449 1.309 -25.274 1.00 20.44 H new ATOM 21 N MET A 1 -2.572 -3.192 -24.480 1.00 2.40 N ATOM 22 CA MET A 1 -3.825 -3.783 -24.019 1.00 12.50 C ATOM 23 C MET A 1 -4.256 -3.068 -22.759 1.00 64.32 C ATOM 24 O MET A 1 -3.529 -3.063 -21.769 1.00 2.31 O ATOM 25 CB MET A 1 -3.647 -5.281 -23.748 1.00 40.30 C ATOM 26 CG MET A 1 -3.075 -6.051 -24.928 1.00 52.23 C ATOM 27 SD MET A 1 -4.067 -5.914 -26.426 1.00 21.00 S ATOM 28 CE MET A 1 -3.028 -6.813 -27.578 1.00 43.51 C ATOM 0 H MET A 1 -1.745 -3.755 -24.283 1.00 2.40 H new ATOM 0 HA MET A 1 -4.589 -3.673 -24.789 1.00 12.50 H new ATOM 0 HB2 MET A 1 -2.990 -5.410 -22.888 1.00 40.30 H new ATOM 0 HB3 MET A 1 -4.612 -5.710 -23.479 1.00 40.30 H new ATOM 0 HG2 MET A 1 -2.068 -5.688 -25.134 1.00 52.23 H new ATOM 0 HG3 MET A 1 -2.985 -7.103 -24.656 1.00 52.23 H new ATOM 0 HE1 MET A 1 -3.499 -6.823 -28.561 1.00 43.51 H new ATOM 0 HE2 MET A 1 -2.055 -6.326 -27.647 1.00 43.51 H new ATOM 0 HE3 MET A 1 -2.897 -7.837 -27.227 1.00 43.51 H new ATOM 38 N THR A 2 -5.405 -2.451 -22.801 1.00 62.44 N ATOM 39 CA THR A 2 -5.868 -1.644 -21.702 1.00 44.34 C ATOM 40 C THR A 2 -6.765 -2.430 -20.726 1.00 0.21 C ATOM 41 O THR A 2 -7.749 -3.047 -21.130 1.00 71.03 O ATOM 42 CB THR A 2 -6.617 -0.420 -22.245 1.00 40.21 C ATOM 43 OG1 THR A 2 -5.763 0.253 -23.188 1.00 2.40 O ATOM 44 CG2 THR A 2 -6.978 0.549 -21.125 1.00 22.50 C ATOM 0 H THR A 2 -6.046 -2.492 -23.594 1.00 62.44 H new ATOM 0 HA THR A 2 -4.993 -1.325 -21.136 1.00 44.34 H new ATOM 0 HB THR A 2 -7.540 -0.754 -22.719 1.00 40.21 H new ATOM 0 HG1 THR A 2 -6.227 1.038 -23.547 1.00 2.40 H new ATOM 0 HG21 THR A 2 -7.508 1.406 -21.542 1.00 22.50 H new ATOM 0 HG22 THR A 2 -7.617 0.045 -20.400 1.00 22.50 H new ATOM 0 HG23 THR A 2 -6.068 0.890 -20.632 1.00 22.50 H new ATOM 52 N VAL A 3 -6.402 -2.401 -19.450 1.00 51.00 N ATOM 53 CA VAL A 3 -7.185 -3.024 -18.386 1.00 62.30 C ATOM 54 C VAL A 3 -7.423 -1.952 -17.312 1.00 32.02 C ATOM 55 O VAL A 3 -6.527 -1.131 -17.058 1.00 4.21 O ATOM 56 CB VAL A 3 -6.424 -4.210 -17.706 1.00 42.24 C ATOM 57 CG1 VAL A 3 -7.320 -4.968 -16.767 1.00 53.12 C ATOM 58 CG2 VAL A 3 -5.808 -5.162 -18.696 1.00 74.12 C ATOM 0 H VAL A 3 -5.552 -1.943 -19.121 1.00 51.00 H new ATOM 0 HA VAL A 3 -8.107 -3.414 -18.817 1.00 62.30 H new ATOM 0 HB VAL A 3 -5.611 -3.753 -17.142 1.00 42.24 H new ATOM 0 HG11 VAL A 3 -6.761 -5.785 -16.311 1.00 53.12 H new ATOM 0 HG12 VAL A 3 -7.682 -4.297 -15.988 1.00 53.12 H new ATOM 0 HG13 VAL A 3 -8.168 -5.372 -17.320 1.00 53.12 H new ATOM 0 HG21 VAL A 3 -5.295 -5.962 -18.161 1.00 74.12 H new ATOM 0 HG22 VAL A 3 -6.589 -5.589 -19.325 1.00 74.12 H new ATOM 0 HG23 VAL A 3 -5.093 -4.626 -19.320 1.00 74.12 H new ATOM 68 N TYR A 4 -8.604 -1.921 -16.712 1.00 21.35 N ATOM 69 CA TYR A 4 -8.879 -0.960 -15.665 1.00 13.13 C ATOM 70 C TYR A 4 -8.871 -1.644 -14.295 1.00 25.21 C ATOM 71 O TYR A 4 -9.491 -2.704 -14.106 1.00 61.43 O ATOM 72 CB TYR A 4 -10.210 -0.248 -15.924 1.00 34.24 C ATOM 73 CG TYR A 4 -10.253 0.479 -17.261 1.00 50.12 C ATOM 74 CD1 TYR A 4 -10.590 -0.197 -18.426 1.00 72.50 C ATOM 75 CD2 TYR A 4 -9.943 1.827 -17.359 1.00 62.51 C ATOM 76 CE1 TYR A 4 -10.616 0.440 -19.643 1.00 33.00 C ATOM 77 CE2 TYR A 4 -9.972 2.476 -18.581 1.00 71.14 C ATOM 78 CZ TYR A 4 -10.307 1.773 -19.719 1.00 72.04 C ATOM 79 OH TYR A 4 -10.324 2.411 -20.948 1.00 3.21 O ATOM 0 H TYR A 4 -9.379 -2.547 -16.933 1.00 21.35 H new ATOM 0 HA TYR A 4 -8.092 -0.206 -15.668 1.00 13.13 H new ATOM 0 HB2 TYR A 4 -11.018 -0.979 -15.889 1.00 34.24 H new ATOM 0 HB3 TYR A 4 -10.393 0.468 -15.123 1.00 34.24 H new ATOM 0 HD1 TYR A 4 -10.837 -1.247 -18.374 1.00 72.50 H new ATOM 0 HD2 TYR A 4 -9.675 2.378 -16.470 1.00 62.51 H new ATOM 0 HE1 TYR A 4 -10.879 -0.107 -20.536 1.00 33.00 H new ATOM 0 HE2 TYR A 4 -9.734 3.528 -18.643 1.00 71.14 H new ATOM 0 HH TYR A 4 -10.083 3.354 -20.831 1.00 3.21 H new ATOM 89 N ILE A 5 -8.154 -1.054 -13.360 1.00 22.31 N ATOM 90 CA ILE A 5 -8.018 -1.585 -12.013 1.00 40.53 C ATOM 91 C ILE A 5 -8.609 -0.591 -11.026 1.00 2.43 C ATOM 92 O ILE A 5 -8.157 0.528 -10.944 1.00 12.13 O ATOM 93 CB ILE A 5 -6.512 -1.747 -11.552 1.00 52.43 C ATOM 94 CG1 ILE A 5 -5.601 -2.621 -12.444 1.00 43.34 C ATOM 95 CG2 ILE A 5 -6.450 -2.289 -10.130 1.00 41.32 C ATOM 96 CD1 ILE A 5 -5.394 -2.174 -13.878 1.00 2.50 C ATOM 0 H ILE A 5 -7.643 -0.184 -13.512 1.00 22.31 H new ATOM 0 HA ILE A 5 -8.514 -2.555 -12.028 1.00 40.53 H new ATOM 0 HB ILE A 5 -6.115 -0.735 -11.633 1.00 52.43 H new ATOM 0 HG12 ILE A 5 -4.623 -2.685 -11.967 1.00 43.34 H new ATOM 0 HG13 ILE A 5 -6.014 -3.630 -12.462 1.00 43.34 H new ATOM 0 HG21 ILE A 5 -5.409 -2.395 -9.826 1.00 41.32 H new ATOM 0 HG22 ILE A 5 -6.956 -1.599 -9.455 1.00 41.32 H new ATOM 0 HG23 ILE A 5 -6.941 -3.261 -10.090 1.00 41.32 H new ATOM 0 HD11 ILE A 5 -4.735 -2.878 -14.387 1.00 2.50 H new ATOM 0 HD12 ILE A 5 -6.355 -2.141 -14.391 1.00 2.50 H new ATOM 0 HD13 ILE A 5 -4.943 -1.182 -13.888 1.00 2.50 H new ATOM 108 N CYS A 6 -9.603 -0.973 -10.320 1.00 1.00 N ATOM 109 CA CYS A 6 -10.075 -0.182 -9.234 1.00 32.21 C ATOM 110 C CYS A 6 -10.118 -1.049 -7.985 1.00 33.33 C ATOM 111 O CYS A 6 -11.060 -1.813 -7.797 1.00 1.21 O ATOM 112 CB CYS A 6 -11.431 0.468 -9.507 1.00 3.21 C ATOM 113 SG CYS A 6 -12.011 1.527 -8.163 1.00 4.12 S ATOM 0 H CYS A 6 -10.117 -1.841 -10.472 1.00 1.00 H new ATOM 0 HA CYS A 6 -9.383 0.648 -9.092 1.00 32.21 H new ATOM 0 HB2 CYS A 6 -11.364 1.059 -10.420 1.00 3.21 H new ATOM 0 HB3 CYS A 6 -12.169 -0.314 -9.687 1.00 3.21 H new ATOM 0 HG CYS A 6 -13.303 1.428 -8.059 1.00 4.12 H new ATOM 119 N PRO A 7 -9.082 -0.982 -7.129 1.00 64.22 N ATOM 120 CA PRO A 7 -9.029 -1.773 -5.874 1.00 25.20 C ATOM 121 C PRO A 7 -10.104 -1.333 -4.879 1.00 52.54 C ATOM 122 O PRO A 7 -10.379 -2.007 -3.886 1.00 33.42 O ATOM 123 CB PRO A 7 -7.635 -1.447 -5.299 1.00 24.23 C ATOM 124 CG PRO A 7 -6.864 -0.847 -6.430 1.00 41.14 C ATOM 125 CD PRO A 7 -7.866 -0.161 -7.307 1.00 23.00 C ATOM 0 HA PRO A 7 -9.199 -2.834 -6.057 1.00 25.20 H new ATOM 0 HB2 PRO A 7 -7.709 -0.752 -4.463 1.00 24.23 H new ATOM 0 HB3 PRO A 7 -7.146 -2.346 -4.924 1.00 24.23 H new ATOM 0 HG2 PRO A 7 -6.121 -0.139 -6.062 1.00 41.14 H new ATOM 0 HG3 PRO A 7 -6.325 -1.616 -6.984 1.00 41.14 H new ATOM 0 HD2 PRO A 7 -8.029 0.873 -7.002 1.00 23.00 H new ATOM 0 HD3 PRO A 7 -7.543 -0.139 -8.348 1.00 23.00 H new ATOM 133 N GLU A 8 -10.701 -0.211 -5.174 1.00 2.44 N ATOM 134 CA GLU A 8 -11.669 0.407 -4.317 1.00 42.02 C ATOM 135 C GLU A 8 -13.051 -0.156 -4.572 1.00 33.40 C ATOM 136 O GLU A 8 -13.672 -0.740 -3.685 1.00 33.22 O ATOM 137 CB GLU A 8 -11.693 1.901 -4.601 1.00 2.14 C ATOM 138 CG GLU A 8 -10.323 2.536 -4.636 1.00 75.31 C ATOM 139 CD GLU A 8 -9.572 2.452 -3.318 1.00 65.30 C ATOM 140 OE1 GLU A 8 -8.825 1.459 -3.094 1.00 14.43 O ATOM 141 OE2 GLU A 8 -9.700 3.388 -2.493 1.00 54.53 O ATOM 0 H GLU A 8 -10.523 0.308 -6.034 1.00 2.44 H new ATOM 0 HA GLU A 8 -11.394 0.212 -3.280 1.00 42.02 H new ATOM 0 HB2 GLU A 8 -12.187 2.072 -5.557 1.00 2.14 H new ATOM 0 HB3 GLU A 8 -12.294 2.397 -3.839 1.00 2.14 H new ATOM 0 HG2 GLU A 8 -9.729 2.054 -5.413 1.00 75.31 H new ATOM 0 HG3 GLU A 8 -10.426 3.584 -4.918 1.00 75.31 H new ATOM 148 N THR A 9 -13.531 0.015 -5.785 1.00 21.11 N ATOM 149 CA THR A 9 -14.877 -0.363 -6.114 1.00 34.11 C ATOM 150 C THR A 9 -14.969 -1.580 -7.043 1.00 12.41 C ATOM 151 O THR A 9 -16.058 -2.089 -7.283 1.00 42.54 O ATOM 152 CB THR A 9 -15.649 0.839 -6.715 1.00 65.12 C ATOM 153 OG1 THR A 9 -14.928 1.366 -7.851 1.00 62.01 O ATOM 154 CG2 THR A 9 -15.806 1.942 -5.674 1.00 23.22 C ATOM 0 H THR A 9 -13.001 0.416 -6.559 1.00 21.11 H new ATOM 0 HA THR A 9 -15.342 -0.664 -5.175 1.00 34.11 H new ATOM 0 HB THR A 9 -16.635 0.495 -7.028 1.00 65.12 H new ATOM 0 HG1 THR A 9 -15.421 2.125 -8.228 1.00 62.01 H new ATOM 0 HG21 THR A 9 -16.350 2.780 -6.111 1.00 23.22 H new ATOM 0 HG22 THR A 9 -16.359 1.557 -4.817 1.00 23.22 H new ATOM 0 HG23 THR A 9 -14.821 2.279 -5.349 1.00 23.22 H new ATOM 162 N GLY A 10 -13.850 -2.055 -7.559 1.00 54.23 N ATOM 163 CA GLY A 10 -13.926 -3.210 -8.458 1.00 63.23 C ATOM 164 C GLY A 10 -13.536 -4.503 -7.771 1.00 32.42 C ATOM 165 O GLY A 10 -13.611 -4.606 -6.541 1.00 71.22 O ATOM 0 H GLY A 10 -12.915 -1.686 -7.387 1.00 54.23 H new ATOM 0 HA2 GLY A 10 -14.941 -3.299 -8.845 1.00 63.23 H new ATOM 0 HA3 GLY A 10 -13.272 -3.045 -9.314 1.00 63.23 H new ATOM 169 N ASP A 11 -13.109 -5.477 -8.548 1.00 44.23 N ATOM 170 CA ASP A 11 -12.746 -6.790 -8.044 1.00 34.31 C ATOM 171 C ASP A 11 -12.009 -7.562 -9.124 1.00 71.43 C ATOM 172 O ASP A 11 -12.261 -7.381 -10.304 1.00 35.32 O ATOM 173 CB ASP A 11 -13.967 -7.586 -7.572 1.00 3.52 C ATOM 174 CG ASP A 11 -13.550 -8.867 -6.883 1.00 53.01 C ATOM 175 OD1 ASP A 11 -13.304 -8.837 -5.662 1.00 41.33 O ATOM 176 OD2 ASP A 11 -13.433 -9.907 -7.556 1.00 41.43 O ATOM 0 H ASP A 11 -13.002 -5.381 -9.558 1.00 44.23 H new ATOM 0 HA ASP A 11 -12.098 -6.647 -7.179 1.00 34.31 H new ATOM 0 HB2 ASP A 11 -14.559 -6.978 -6.888 1.00 3.52 H new ATOM 0 HB3 ASP A 11 -14.605 -7.819 -8.425 1.00 3.52 H new ATOM 181 N ASP A 12 -11.094 -8.400 -8.716 1.00 13.21 N ATOM 182 CA ASP A 12 -10.249 -9.184 -9.633 1.00 64.31 C ATOM 183 C ASP A 12 -11.031 -10.266 -10.383 1.00 20.30 C ATOM 184 O ASP A 12 -10.546 -10.800 -11.384 1.00 42.54 O ATOM 185 CB ASP A 12 -9.094 -9.826 -8.875 1.00 24.13 C ATOM 186 CG ASP A 12 -9.578 -10.746 -7.785 1.00 52.40 C ATOM 187 OD1 ASP A 12 -9.832 -10.263 -6.671 1.00 21.43 O ATOM 188 OD2 ASP A 12 -9.723 -11.951 -8.022 1.00 15.13 O ATOM 0 H ASP A 12 -10.897 -8.573 -7.730 1.00 13.21 H new ATOM 0 HA ASP A 12 -9.865 -8.483 -10.374 1.00 64.31 H new ATOM 0 HB2 ASP A 12 -8.470 -10.386 -9.571 1.00 24.13 H new ATOM 0 HB3 ASP A 12 -8.468 -9.047 -8.441 1.00 24.13 H new ATOM 193 N GLY A 13 -12.223 -10.587 -9.912 1.00 23.01 N ATOM 194 CA GLY A 13 -13.039 -11.597 -10.575 1.00 53.31 C ATOM 195 C GLY A 13 -13.754 -11.045 -11.791 1.00 51.22 C ATOM 196 O GLY A 13 -14.469 -11.770 -12.494 1.00 20.14 O ATOM 0 H GLY A 13 -12.647 -10.170 -9.083 1.00 23.01 H new ATOM 0 HA2 GLY A 13 -12.407 -12.433 -10.875 1.00 53.31 H new ATOM 0 HA3 GLY A 13 -13.773 -11.989 -9.871 1.00 53.31 H new ATOM 200 N ASN A 14 -13.549 -9.770 -12.039 1.00 65.44 N ATOM 201 CA ASN A 14 -14.162 -9.082 -13.162 1.00 30.24 C ATOM 202 C ASN A 14 -13.397 -9.284 -14.462 1.00 33.25 C ATOM 203 O ASN A 14 -12.383 -9.980 -14.503 1.00 53.11 O ATOM 204 CB ASN A 14 -14.302 -7.593 -12.874 1.00 21.14 C ATOM 205 CG ASN A 14 -15.324 -7.279 -11.806 1.00 13.24 C ATOM 206 OD1 ASN A 14 -16.290 -8.015 -11.619 1.00 13.04 O ATOM 207 ND2 ASN A 14 -15.137 -6.188 -11.120 1.00 22.12 N ATOM 0 H ASN A 14 -12.950 -9.175 -11.466 1.00 65.44 H new ATOM 0 HA ASN A 14 -15.151 -9.523 -13.290 1.00 30.24 H new ATOM 0 HB2 ASN A 14 -13.334 -7.198 -12.567 1.00 21.14 H new ATOM 0 HB3 ASN A 14 -14.579 -7.078 -13.794 1.00 21.14 H new ATOM 0 HD21 ASN A 14 -15.805 -5.919 -10.398 1.00 22.12 H new ATOM 0 HD22 ASN A 14 -14.322 -5.603 -11.305 1.00 22.12 H new ATOM 214 N ASP A 15 -13.895 -8.657 -15.527 1.00 61.20 N ATOM 215 CA ASP A 15 -13.296 -8.750 -16.870 1.00 24.50 C ATOM 216 C ASP A 15 -12.247 -7.674 -17.066 1.00 31.23 C ATOM 217 O ASP A 15 -11.537 -7.656 -18.068 1.00 42.11 O ATOM 218 CB ASP A 15 -14.371 -8.601 -17.962 1.00 53.22 C ATOM 219 CG ASP A 15 -15.428 -9.670 -17.903 1.00 61.14 C ATOM 220 OD1 ASP A 15 -16.429 -9.481 -17.199 1.00 2.21 O ATOM 221 OD2 ASP A 15 -15.266 -10.724 -18.554 1.00 62.21 O ATOM 0 H ASP A 15 -14.727 -8.068 -15.489 1.00 61.20 H new ATOM 0 HA ASP A 15 -12.830 -9.732 -16.952 1.00 24.50 H new ATOM 0 HB2 ASP A 15 -14.845 -7.624 -17.865 1.00 53.22 H new ATOM 0 HB3 ASP A 15 -13.892 -8.627 -18.941 1.00 53.22 H new ATOM 226 N GLY A 16 -12.164 -6.773 -16.113 1.00 23.54 N ATOM 227 CA GLY A 16 -11.207 -5.691 -16.181 1.00 74.23 C ATOM 228 C GLY A 16 -11.586 -4.574 -17.126 1.00 52.21 C ATOM 229 O GLY A 16 -10.707 -3.911 -17.709 1.00 60.33 O ATOM 0 H GLY A 16 -12.750 -6.768 -15.278 1.00 23.54 H new ATOM 0 HA2 GLY A 16 -11.077 -5.275 -15.182 1.00 74.23 H new ATOM 0 HA3 GLY A 16 -10.242 -6.096 -16.486 1.00 74.23 H new ATOM 233 N SER A 17 -12.865 -4.350 -17.286 1.00 34.32 N ATOM 234 CA SER A 17 -13.334 -3.262 -18.098 1.00 40.32 C ATOM 235 C SER A 17 -13.427 -2.017 -17.218 1.00 15.22 C ATOM 236 O SER A 17 -13.088 -2.078 -16.035 1.00 52.14 O ATOM 237 CB SER A 17 -14.692 -3.614 -18.728 1.00 13.21 C ATOM 238 OG SER A 17 -15.655 -3.954 -17.733 1.00 61.53 O ATOM 0 H SER A 17 -13.603 -4.912 -16.861 1.00 34.32 H new ATOM 0 HA SER A 17 -12.642 -3.070 -18.918 1.00 40.32 H new ATOM 0 HB2 SER A 17 -15.054 -2.768 -19.312 1.00 13.21 H new ATOM 0 HB3 SER A 17 -14.569 -4.449 -19.418 1.00 13.21 H new ATOM 0 HG SER A 17 -16.508 -4.171 -18.164 1.00 61.53 H new ATOM 244 N GLU A 18 -13.862 -0.903 -17.763 1.00 43.20 N ATOM 245 CA GLU A 18 -13.975 0.288 -16.974 1.00 73.24 C ATOM 246 C GLU A 18 -15.138 0.136 -15.965 1.00 50.23 C ATOM 247 O GLU A 18 -15.073 0.622 -14.829 1.00 43.54 O ATOM 248 CB GLU A 18 -14.193 1.493 -17.878 1.00 22.34 C ATOM 249 CG GLU A 18 -14.228 2.803 -17.154 1.00 11.00 C ATOM 250 CD GLU A 18 -14.487 3.963 -18.071 1.00 41.43 C ATOM 251 OE1 GLU A 18 -15.668 4.266 -18.339 1.00 23.15 O ATOM 252 OE2 GLU A 18 -13.530 4.589 -18.535 1.00 1.55 O ATOM 0 H GLU A 18 -14.139 -0.803 -18.740 1.00 43.20 H new ATOM 0 HA GLU A 18 -13.051 0.444 -16.417 1.00 73.24 H new ATOM 0 HB2 GLU A 18 -13.398 1.523 -18.623 1.00 22.34 H new ATOM 0 HB3 GLU A 18 -15.131 1.363 -18.418 1.00 22.34 H new ATOM 0 HG2 GLU A 18 -15.003 2.770 -16.388 1.00 11.00 H new ATOM 0 HG3 GLU A 18 -13.279 2.956 -16.640 1.00 11.00 H new ATOM 259 N LEU A 19 -16.200 -0.550 -16.401 1.00 1.30 N ATOM 260 CA LEU A 19 -17.361 -0.799 -15.567 1.00 10.42 C ATOM 261 C LEU A 19 -17.123 -1.958 -14.606 1.00 32.44 C ATOM 262 O LEU A 19 -17.727 -2.023 -13.535 1.00 65.21 O ATOM 263 CB LEU A 19 -18.610 -1.069 -16.414 1.00 22.13 C ATOM 264 CG LEU A 19 -19.166 0.095 -17.254 1.00 11.10 C ATOM 265 CD1 LEU A 19 -19.491 1.307 -16.393 1.00 60.34 C ATOM 266 CD2 LEU A 19 -18.273 0.467 -18.427 1.00 10.24 C ATOM 0 H LEU A 19 -16.271 -0.943 -17.340 1.00 1.30 H new ATOM 0 HA LEU A 19 -17.528 0.104 -14.980 1.00 10.42 H new ATOM 0 HB2 LEU A 19 -18.386 -1.894 -17.090 1.00 22.13 H new ATOM 0 HB3 LEU A 19 -19.401 -1.410 -15.747 1.00 22.13 H new ATOM 0 HG LEU A 19 -20.099 -0.267 -17.686 1.00 11.10 H new ATOM 0 HD11 LEU A 19 -19.881 2.107 -17.023 1.00 60.34 H new ATOM 0 HD12 LEU A 19 -20.239 1.034 -15.648 1.00 60.34 H new ATOM 0 HD13 LEU A 19 -18.586 1.649 -15.890 1.00 60.34 H new ATOM 0 HD21 LEU A 19 -18.722 1.294 -18.978 1.00 10.24 H new ATOM 0 HD22 LEU A 19 -17.293 0.767 -18.057 1.00 10.24 H new ATOM 0 HD23 LEU A 19 -18.164 -0.393 -19.088 1.00 10.24 H new ATOM 278 N LYS A 20 -16.237 -2.864 -14.980 1.00 14.13 N ATOM 279 CA LYS A 20 -15.888 -4.002 -14.133 1.00 31.35 C ATOM 280 C LYS A 20 -14.390 -3.996 -13.920 1.00 35.04 C ATOM 281 O LYS A 20 -13.678 -4.830 -14.495 1.00 74.13 O ATOM 282 CB LYS A 20 -16.252 -5.337 -14.800 1.00 32.00 C ATOM 283 CG LYS A 20 -17.673 -5.450 -15.339 1.00 54.14 C ATOM 284 CD LYS A 20 -17.879 -6.805 -16.008 1.00 55.03 C ATOM 285 CE LYS A 20 -19.278 -6.961 -16.603 1.00 63.44 C ATOM 286 NZ LYS A 20 -20.340 -6.864 -15.582 1.00 22.02 N ATOM 0 H LYS A 20 -15.740 -2.837 -15.870 1.00 14.13 H new ATOM 0 HA LYS A 20 -16.439 -3.910 -13.197 1.00 31.35 H new ATOM 0 HB2 LYS A 20 -15.558 -5.510 -15.622 1.00 32.00 H new ATOM 0 HB3 LYS A 20 -16.095 -6.137 -14.076 1.00 32.00 H new ATOM 0 HG2 LYS A 20 -18.389 -5.326 -14.526 1.00 54.14 H new ATOM 0 HG3 LYS A 20 -17.862 -4.651 -16.055 1.00 54.14 H new ATOM 0 HD2 LYS A 20 -17.137 -6.933 -16.796 1.00 55.03 H new ATOM 0 HD3 LYS A 20 -17.709 -7.596 -15.278 1.00 55.03 H new ATOM 0 HE2 LYS A 20 -19.435 -6.193 -17.360 1.00 63.44 H new ATOM 0 HE3 LYS A 20 -19.350 -7.925 -17.107 1.00 63.44 H new ATOM 0 HZ1 LYS A 20 -21.258 -7.093 -16.013 1.00 22.02 H new ATOM 0 HZ2 LYS A 20 -20.143 -7.534 -14.811 1.00 22.02 H new ATOM 0 HZ3 LYS A 20 -20.368 -5.897 -15.201 1.00 22.02 H new ATOM 300 N PRO A 21 -13.874 -3.052 -13.145 1.00 41.04 N ATOM 301 CA PRO A 21 -12.460 -2.949 -12.932 1.00 25.13 C ATOM 302 C PRO A 21 -11.951 -4.036 -12.002 1.00 14.32 C ATOM 303 O PRO A 21 -12.694 -4.550 -11.140 1.00 71.44 O ATOM 304 CB PRO A 21 -12.286 -1.565 -12.319 1.00 72.51 C ATOM 305 CG PRO A 21 -13.584 -1.264 -11.659 1.00 22.34 C ATOM 306 CD PRO A 21 -14.630 -2.009 -12.421 1.00 41.12 C ATOM 0 HA PRO A 21 -11.890 -3.077 -13.852 1.00 25.13 H new ATOM 0 HB2 PRO A 21 -11.467 -1.553 -11.600 1.00 72.51 H new ATOM 0 HB3 PRO A 21 -12.051 -0.823 -13.082 1.00 72.51 H new ATOM 0 HG2 PRO A 21 -13.569 -1.575 -10.614 1.00 22.34 H new ATOM 0 HG3 PRO A 21 -13.785 -0.193 -11.670 1.00 22.34 H new ATOM 0 HD2 PRO A 21 -15.374 -2.446 -11.754 1.00 41.12 H new ATOM 0 HD3 PRO A 21 -15.164 -1.354 -13.109 1.00 41.12 H new ATOM 314 N LEU A 22 -10.712 -4.402 -12.185 1.00 60.01 N ATOM 315 CA LEU A 22 -10.073 -5.405 -11.367 1.00 20.42 C ATOM 316 C LEU A 22 -9.638 -4.768 -10.084 1.00 23.23 C ATOM 317 O LEU A 22 -9.547 -3.578 -10.013 1.00 14.11 O ATOM 318 CB LEU A 22 -8.876 -5.972 -12.097 1.00 15.15 C ATOM 319 CG LEU A 22 -9.177 -6.588 -13.451 1.00 34.02 C ATOM 320 CD1 LEU A 22 -7.916 -7.046 -14.109 1.00 64.35 C ATOM 321 CD2 LEU A 22 -10.166 -7.734 -13.321 1.00 25.22 C ATOM 0 H LEU A 22 -10.110 -4.012 -12.910 1.00 60.01 H new ATOM 0 HA LEU A 22 -10.769 -6.217 -11.157 1.00 20.42 H new ATOM 0 HB2 LEU A 22 -8.143 -5.177 -12.232 1.00 15.15 H new ATOM 0 HB3 LEU A 22 -8.411 -6.730 -11.466 1.00 15.15 H new ATOM 0 HG LEU A 22 -9.634 -5.823 -14.079 1.00 34.02 H new ATOM 0 HD11 LEU A 22 -8.150 -7.485 -15.079 1.00 64.35 H new ATOM 0 HD12 LEU A 22 -7.248 -6.196 -14.248 1.00 64.35 H new ATOM 0 HD13 LEU A 22 -7.428 -7.792 -13.481 1.00 64.35 H new ATOM 0 HD21 LEU A 22 -10.364 -8.157 -14.306 1.00 25.22 H new ATOM 0 HD22 LEU A 22 -9.748 -8.504 -12.673 1.00 25.22 H new ATOM 0 HD23 LEU A 22 -11.097 -7.364 -12.891 1.00 25.22 H new ATOM 333 N ARG A 23 -9.369 -5.541 -9.076 1.00 31.01 N ATOM 334 CA ARG A 23 -8.983 -4.935 -7.822 1.00 62.24 C ATOM 335 C ARG A 23 -7.482 -4.949 -7.612 1.00 23.13 C ATOM 336 O ARG A 23 -6.980 -4.491 -6.600 1.00 53.20 O ATOM 337 CB ARG A 23 -9.771 -5.533 -6.650 1.00 34.32 C ATOM 338 CG ARG A 23 -9.566 -7.004 -6.344 1.00 44.04 C ATOM 339 CD ARG A 23 -8.235 -7.309 -5.677 1.00 73.25 C ATOM 340 NE ARG A 23 -8.062 -8.738 -5.436 1.00 23.03 N ATOM 341 CZ ARG A 23 -7.053 -9.281 -4.761 1.00 44.41 C ATOM 342 NH1 ARG A 23 -6.088 -8.514 -4.259 1.00 74.42 N ATOM 343 NH2 ARG A 23 -7.009 -10.596 -4.587 1.00 34.44 N ATOM 0 H ARG A 23 -9.405 -6.560 -9.085 1.00 31.01 H new ATOM 0 HA ARG A 23 -9.253 -3.880 -7.867 1.00 62.24 H new ATOM 0 HB2 ARG A 23 -9.522 -4.965 -5.753 1.00 34.32 H new ATOM 0 HB3 ARG A 23 -10.832 -5.375 -6.843 1.00 34.32 H new ATOM 0 HG2 ARG A 23 -10.374 -7.348 -5.698 1.00 44.04 H new ATOM 0 HG3 ARG A 23 -9.636 -7.572 -7.271 1.00 44.04 H new ATOM 0 HD2 ARG A 23 -7.422 -6.946 -6.306 1.00 73.25 H new ATOM 0 HD3 ARG A 23 -8.171 -6.771 -4.731 1.00 73.25 H new ATOM 0 HE ARG A 23 -8.769 -9.368 -5.814 1.00 23.03 H new ATOM 0 HH11 ARG A 23 -6.119 -7.503 -4.391 1.00 74.42 H new ATOM 0 HH12 ARG A 23 -5.317 -8.937 -3.742 1.00 74.42 H new ATOM 0 HH21 ARG A 23 -7.747 -11.186 -4.970 1.00 34.44 H new ATOM 0 HH22 ARG A 23 -6.237 -11.016 -4.070 1.00 34.44 H new ATOM 357 N THR A 24 -6.773 -5.463 -8.583 1.00 63.43 N ATOM 358 CA THR A 24 -5.343 -5.543 -8.512 1.00 22.24 C ATOM 359 C THR A 24 -4.736 -5.492 -9.888 1.00 23.31 C ATOM 360 O THR A 24 -5.355 -5.926 -10.880 1.00 60.34 O ATOM 361 CB THR A 24 -4.850 -6.826 -7.764 1.00 1.32 C ATOM 362 OG1 THR A 24 -3.427 -6.935 -7.828 1.00 1.20 O ATOM 363 CG2 THR A 24 -5.503 -8.095 -8.308 1.00 2.03 C ATOM 0 H THR A 24 -7.173 -5.837 -9.443 1.00 63.43 H new ATOM 0 HA THR A 24 -5.013 -4.678 -7.937 1.00 22.24 H new ATOM 0 HB THR A 24 -5.151 -6.722 -6.721 1.00 1.32 H new ATOM 0 HG1 THR A 24 -3.126 -7.646 -7.225 1.00 1.20 H new ATOM 0 HG21 THR A 24 -5.131 -8.960 -7.759 1.00 2.03 H new ATOM 0 HG22 THR A 24 -6.584 -8.028 -8.189 1.00 2.03 H new ATOM 0 HG23 THR A 24 -5.261 -8.205 -9.365 1.00 2.03 H new ATOM 371 N LEU A 25 -3.538 -4.966 -9.938 1.00 34.04 N ATOM 372 CA LEU A 25 -2.752 -4.885 -11.135 1.00 35.00 C ATOM 373 C LEU A 25 -2.284 -6.288 -11.512 1.00 32.14 C ATOM 374 O LEU A 25 -1.972 -6.574 -12.677 1.00 30.21 O ATOM 375 CB LEU A 25 -1.556 -3.972 -10.870 1.00 43.14 C ATOM 376 CG LEU A 25 -0.594 -3.735 -12.023 1.00 14.00 C ATOM 377 CD1 LEU A 25 -1.318 -3.135 -13.214 1.00 40.21 C ATOM 378 CD2 LEU A 25 0.521 -2.821 -11.565 1.00 34.20 C ATOM 0 H LEU A 25 -3.072 -4.572 -9.121 1.00 34.04 H new ATOM 0 HA LEU A 25 -3.338 -4.476 -11.958 1.00 35.00 H new ATOM 0 HB2 LEU A 25 -1.936 -3.004 -10.543 1.00 43.14 H new ATOM 0 HB3 LEU A 25 -0.990 -4.390 -10.038 1.00 43.14 H new ATOM 0 HG LEU A 25 -0.172 -4.690 -12.336 1.00 14.00 H new ATOM 0 HD11 LEU A 25 -0.610 -2.974 -14.027 1.00 40.21 H new ATOM 0 HD12 LEU A 25 -2.101 -3.817 -13.545 1.00 40.21 H new ATOM 0 HD13 LEU A 25 -1.763 -2.182 -12.927 1.00 40.21 H new ATOM 0 HD21 LEU A 25 1.213 -2.649 -12.390 1.00 34.20 H new ATOM 0 HD22 LEU A 25 0.101 -1.869 -11.240 1.00 34.20 H new ATOM 0 HD23 LEU A 25 1.054 -3.285 -10.735 1.00 34.20 H new ATOM 390 N TYR A 26 -2.284 -7.167 -10.509 1.00 5.33 N ATOM 391 CA TYR A 26 -1.903 -8.551 -10.664 1.00 54.53 C ATOM 392 C TYR A 26 -2.792 -9.226 -11.702 1.00 24.42 C ATOM 393 O TYR A 26 -2.300 -9.839 -12.638 1.00 62.41 O ATOM 394 CB TYR A 26 -2.055 -9.215 -9.304 1.00 12.22 C ATOM 395 CG TYR A 26 -1.624 -10.641 -9.192 1.00 21.12 C ATOM 396 CD1 TYR A 26 -0.296 -10.964 -9.158 1.00 14.00 C ATOM 397 CD2 TYR A 26 -2.550 -11.664 -9.059 1.00 3.23 C ATOM 398 CE1 TYR A 26 0.112 -12.250 -8.996 1.00 70.22 C ATOM 399 CE2 TYR A 26 -2.141 -12.964 -8.903 1.00 34.24 C ATOM 400 CZ TYR A 26 -0.800 -13.244 -8.868 1.00 21.24 C ATOM 401 OH TYR A 26 -0.369 -14.524 -8.681 1.00 44.22 O ATOM 0 H TYR A 26 -2.554 -6.923 -9.556 1.00 5.33 H new ATOM 0 HA TYR A 26 -0.874 -8.637 -11.012 1.00 54.53 H new ATOM 0 HB2 TYR A 26 -1.489 -8.632 -8.578 1.00 12.22 H new ATOM 0 HB3 TYR A 26 -3.104 -9.155 -9.013 1.00 12.22 H new ATOM 0 HD1 TYR A 26 0.442 -10.183 -9.262 1.00 14.00 H new ATOM 0 HD2 TYR A 26 -3.605 -11.435 -9.078 1.00 3.23 H new ATOM 0 HE1 TYR A 26 1.167 -12.481 -8.969 1.00 70.22 H new ATOM 0 HE2 TYR A 26 -2.867 -13.758 -8.809 1.00 34.24 H new ATOM 0 HH TYR A 26 -1.140 -15.128 -8.654 1.00 44.22 H new ATOM 411 N GLN A 27 -4.103 -9.048 -11.562 1.00 73.44 N ATOM 412 CA GLN A 27 -5.061 -9.679 -12.462 1.00 44.22 C ATOM 413 C GLN A 27 -4.961 -9.088 -13.881 1.00 25.44 C ATOM 414 O GLN A 27 -5.145 -9.801 -14.860 1.00 40.25 O ATOM 415 CB GLN A 27 -6.501 -9.604 -11.892 1.00 2.32 C ATOM 416 CG GLN A 27 -7.579 -10.271 -12.769 1.00 43.44 C ATOM 417 CD GLN A 27 -7.342 -11.761 -12.989 1.00 22.44 C ATOM 418 OE1 GLN A 27 -6.794 -12.454 -12.138 1.00 63.43 O ATOM 419 NE2 GLN A 27 -7.751 -12.247 -14.131 1.00 50.24 N ATOM 0 H GLN A 27 -4.525 -8.472 -10.834 1.00 73.44 H new ATOM 0 HA GLN A 27 -4.808 -10.736 -12.540 1.00 44.22 H new ATOM 0 HB2 GLN A 27 -6.512 -10.073 -10.908 1.00 2.32 H new ATOM 0 HB3 GLN A 27 -6.766 -8.556 -11.749 1.00 2.32 H new ATOM 0 HG2 GLN A 27 -8.554 -10.130 -12.303 1.00 43.44 H new ATOM 0 HG3 GLN A 27 -7.612 -9.769 -13.736 1.00 43.44 H new ATOM 0 HE21 GLN A 27 -8.203 -11.637 -14.812 1.00 50.24 H new ATOM 0 HE22 GLN A 27 -7.619 -13.236 -14.341 1.00 50.24 H new ATOM 428 N ALA A 28 -4.642 -7.788 -13.976 1.00 30.23 N ATOM 429 CA ALA A 28 -4.462 -7.116 -15.253 1.00 65.04 C ATOM 430 C ALA A 28 -3.345 -7.779 -16.045 1.00 43.03 C ATOM 431 O ALA A 28 -3.455 -7.977 -17.264 1.00 43.12 O ATOM 432 CB ALA A 28 -4.169 -5.640 -15.027 1.00 20.55 C ATOM 0 H ALA A 28 -4.504 -7.183 -13.167 1.00 30.23 H new ATOM 0 HA ALA A 28 -5.381 -7.199 -15.833 1.00 65.04 H new ATOM 0 HB1 ALA A 28 -4.036 -5.144 -15.988 1.00 20.55 H new ATOM 0 HB2 ALA A 28 -5.002 -5.181 -14.495 1.00 20.55 H new ATOM 0 HB3 ALA A 28 -3.259 -5.536 -14.436 1.00 20.55 H new ATOM 438 N MET A 29 -2.274 -8.129 -15.355 1.00 43.51 N ATOM 439 CA MET A 29 -1.190 -8.846 -15.958 1.00 15.45 C ATOM 440 C MET A 29 -1.539 -10.286 -16.278 1.00 61.43 C ATOM 441 O MET A 29 -1.051 -10.818 -17.251 1.00 74.20 O ATOM 442 CB MET A 29 0.085 -8.763 -15.144 1.00 50.21 C ATOM 443 CG MET A 29 0.906 -7.505 -15.369 1.00 44.35 C ATOM 444 SD MET A 29 2.429 -7.563 -14.479 1.00 44.13 S ATOM 445 CE MET A 29 3.250 -6.182 -15.220 1.00 11.21 C ATOM 0 H MET A 29 -2.142 -7.920 -14.365 1.00 43.51 H new ATOM 0 HA MET A 29 -1.005 -8.344 -16.908 1.00 15.45 H new ATOM 0 HB2 MET A 29 -0.171 -8.828 -14.087 1.00 50.21 H new ATOM 0 HB3 MET A 29 0.704 -9.630 -15.376 1.00 50.21 H new ATOM 0 HG2 MET A 29 1.109 -7.387 -16.433 1.00 44.35 H new ATOM 0 HG3 MET A 29 0.332 -6.633 -15.055 1.00 44.35 H new ATOM 0 HE1 MET A 29 4.273 -6.460 -15.474 1.00 11.21 H new ATOM 0 HE2 MET A 29 2.719 -5.886 -16.125 1.00 11.21 H new ATOM 0 HE3 MET A 29 3.265 -5.348 -14.518 1.00 11.21 H new ATOM 455 N ILE A 30 -2.384 -10.904 -15.466 1.00 70.34 N ATOM 456 CA ILE A 30 -2.810 -12.293 -15.705 1.00 73.31 C ATOM 457 C ILE A 30 -3.569 -12.397 -17.026 1.00 61.04 C ATOM 458 O ILE A 30 -3.270 -13.225 -17.875 1.00 41.34 O ATOM 459 CB ILE A 30 -3.729 -12.825 -14.556 1.00 61.33 C ATOM 460 CG1 ILE A 30 -3.006 -12.754 -13.206 1.00 50.51 C ATOM 461 CG2 ILE A 30 -4.195 -14.257 -14.842 1.00 0.22 C ATOM 462 CD1 ILE A 30 -3.799 -13.279 -12.045 1.00 24.41 C ATOM 0 H ILE A 30 -2.792 -10.475 -14.636 1.00 70.34 H new ATOM 0 HA ILE A 30 -1.906 -12.901 -15.741 1.00 73.31 H new ATOM 0 HB ILE A 30 -4.610 -12.185 -14.509 1.00 61.33 H new ATOM 0 HG12 ILE A 30 -2.075 -13.316 -13.277 1.00 50.51 H new ATOM 0 HG13 ILE A 30 -2.737 -11.717 -13.006 1.00 50.51 H new ATOM 0 HG21 ILE A 30 -4.832 -14.602 -14.028 1.00 0.22 H new ATOM 0 HG22 ILE A 30 -4.757 -14.277 -15.776 1.00 0.22 H new ATOM 0 HG23 ILE A 30 -3.328 -14.912 -14.926 1.00 0.22 H new ATOM 0 HD11 ILE A 30 -3.210 -13.190 -11.132 1.00 24.41 H new ATOM 0 HD12 ILE A 30 -4.718 -12.702 -11.942 1.00 24.41 H new ATOM 0 HD13 ILE A 30 -4.045 -14.327 -12.217 1.00 24.41 H new ATOM 474 N ILE A 31 -4.533 -11.524 -17.179 1.00 71.14 N ATOM 475 CA ILE A 31 -5.398 -11.498 -18.336 1.00 24.43 C ATOM 476 C ILE A 31 -4.637 -11.180 -19.640 1.00 15.25 C ATOM 477 O ILE A 31 -4.919 -11.758 -20.695 1.00 72.24 O ATOM 478 CB ILE A 31 -6.529 -10.449 -18.146 1.00 15.42 C ATOM 479 CG1 ILE A 31 -7.321 -10.747 -16.884 1.00 44.32 C ATOM 480 CG2 ILE A 31 -7.453 -10.462 -19.328 1.00 63.32 C ATOM 481 CD1 ILE A 31 -8.484 -9.815 -16.655 1.00 3.42 C ATOM 0 H ILE A 31 -4.744 -10.799 -16.493 1.00 71.14 H new ATOM 0 HA ILE A 31 -5.820 -12.499 -18.426 1.00 24.43 H new ATOM 0 HB ILE A 31 -6.071 -9.464 -18.057 1.00 15.42 H new ATOM 0 HG12 ILE A 31 -7.693 -11.770 -16.934 1.00 44.32 H new ATOM 0 HG13 ILE A 31 -6.651 -10.693 -16.026 1.00 44.32 H new ATOM 0 HG21 ILE A 31 -8.241 -9.723 -19.182 1.00 63.32 H new ATOM 0 HG22 ILE A 31 -6.892 -10.221 -20.231 1.00 63.32 H new ATOM 0 HG23 ILE A 31 -7.899 -11.451 -19.431 1.00 63.32 H new ATOM 0 HD11 ILE A 31 -8.998 -10.094 -15.735 1.00 3.42 H new ATOM 0 HD12 ILE A 31 -8.119 -8.791 -16.571 1.00 3.42 H new ATOM 0 HD13 ILE A 31 -9.177 -9.885 -17.493 1.00 3.42 H new ATOM 493 N THR A 32 -3.679 -10.282 -19.565 1.00 51.00 N ATOM 494 CA THR A 32 -3.017 -9.820 -20.762 1.00 15.30 C ATOM 495 C THR A 32 -1.662 -10.503 -21.007 1.00 1.14 C ATOM 496 O THR A 32 -1.351 -10.894 -22.140 1.00 34.11 O ATOM 497 CB THR A 32 -2.817 -8.287 -20.717 1.00 62.24 C ATOM 498 OG1 THR A 32 -2.014 -7.936 -19.570 1.00 52.23 O ATOM 499 CG2 THR A 32 -4.164 -7.564 -20.622 1.00 52.50 C ATOM 0 H THR A 32 -3.345 -9.862 -18.698 1.00 51.00 H new ATOM 0 HA THR A 32 -3.672 -10.089 -21.591 1.00 15.30 H new ATOM 0 HB THR A 32 -2.315 -7.981 -21.635 1.00 62.24 H new ATOM 0 HG1 THR A 32 -2.572 -7.946 -18.765 1.00 52.23 H new ATOM 0 HG21 THR A 32 -3.998 -6.487 -20.592 1.00 52.50 H new ATOM 0 HG22 THR A 32 -4.773 -7.813 -21.491 1.00 52.50 H new ATOM 0 HG23 THR A 32 -4.682 -7.877 -19.715 1.00 52.50 H new ATOM 507 N LYS A 33 -0.862 -10.638 -19.933 1.00 74.01 N ATOM 508 CA LYS A 33 0.532 -11.136 -19.969 1.00 74.41 C ATOM 509 C LYS A 33 1.436 -10.215 -20.783 1.00 44.34 C ATOM 510 O LYS A 33 2.590 -10.529 -21.037 1.00 74.10 O ATOM 511 CB LYS A 33 0.643 -12.575 -20.505 1.00 4.43 C ATOM 512 CG LYS A 33 -0.125 -13.606 -19.706 1.00 62.53 C ATOM 513 CD LYS A 33 0.167 -15.029 -20.187 1.00 30.41 C ATOM 514 CE LYS A 33 -0.185 -15.222 -21.650 1.00 72.31 C ATOM 515 NZ LYS A 33 0.065 -16.605 -22.097 1.00 23.11 N ATOM 0 H LYS A 33 -1.172 -10.399 -18.991 1.00 74.01 H new ATOM 0 HA LYS A 33 0.867 -11.142 -18.932 1.00 74.41 H new ATOM 0 HB2 LYS A 33 0.287 -12.594 -21.535 1.00 4.43 H new ATOM 0 HB3 LYS A 33 1.695 -12.861 -20.526 1.00 4.43 H new ATOM 0 HG2 LYS A 33 0.137 -13.518 -18.652 1.00 62.53 H new ATOM 0 HG3 LYS A 33 -1.194 -13.407 -19.787 1.00 62.53 H new ATOM 0 HD2 LYS A 33 1.223 -15.252 -20.037 1.00 30.41 H new ATOM 0 HD3 LYS A 33 -0.398 -15.738 -19.582 1.00 30.41 H new ATOM 0 HE2 LYS A 33 -1.235 -14.974 -21.807 1.00 72.31 H new ATOM 0 HE3 LYS A 33 0.400 -14.532 -22.258 1.00 72.31 H new ATOM 0 HZ1 LYS A 33 -0.188 -16.696 -23.102 1.00 23.11 H new ATOM 0 HZ2 LYS A 33 1.072 -16.834 -21.971 1.00 23.11 H new ATOM 0 HZ3 LYS A 33 -0.512 -17.262 -21.534 1.00 23.11 H new ATOM 529 N SER A 34 0.927 -9.055 -21.148 1.00 5.31 N ATOM 530 CA SER A 34 1.651 -8.186 -22.038 1.00 14.21 C ATOM 531 C SER A 34 2.607 -7.232 -21.300 1.00 52.24 C ATOM 532 O SER A 34 3.558 -6.750 -21.891 1.00 33.35 O ATOM 533 CB SER A 34 0.645 -7.400 -22.855 1.00 3.40 C ATOM 534 OG SER A 34 -0.267 -8.276 -23.502 1.00 50.51 O ATOM 0 H SER A 34 0.021 -8.699 -20.842 1.00 5.31 H new ATOM 0 HA SER A 34 2.279 -8.802 -22.682 1.00 14.21 H new ATOM 0 HB2 SER A 34 0.100 -6.713 -22.208 1.00 3.40 H new ATOM 0 HB3 SER A 34 1.165 -6.794 -23.597 1.00 3.40 H new ATOM 0 HG SER A 34 -0.910 -7.752 -24.023 1.00 50.51 H new ATOM 540 N SER A 35 2.356 -6.995 -20.001 1.00 45.03 N ATOM 541 CA SER A 35 3.218 -6.145 -19.113 1.00 44.02 C ATOM 542 C SER A 35 3.421 -4.647 -19.573 1.00 42.43 C ATOM 543 O SER A 35 3.891 -3.816 -18.790 1.00 64.14 O ATOM 544 CB SER A 35 4.580 -6.821 -18.908 1.00 32.14 C ATOM 545 OG SER A 35 4.424 -8.124 -18.357 1.00 63.10 O ATOM 0 H SER A 35 1.546 -7.384 -19.519 1.00 45.03 H new ATOM 0 HA SER A 35 2.665 -6.072 -18.176 1.00 44.02 H new ATOM 0 HB2 SER A 35 5.105 -6.886 -19.861 1.00 32.14 H new ATOM 0 HB3 SER A 35 5.196 -6.213 -18.245 1.00 32.14 H new ATOM 0 HG SER A 35 5.305 -8.536 -18.237 1.00 63.10 H new ATOM 551 N LYS A 36 3.055 -4.325 -20.796 1.00 54.30 N ATOM 552 CA LYS A 36 3.317 -2.997 -21.363 1.00 54.32 C ATOM 553 C LYS A 36 2.037 -2.265 -21.722 1.00 54.44 C ATOM 554 O LYS A 36 2.084 -1.125 -22.178 1.00 54.43 O ATOM 555 CB LYS A 36 4.162 -3.122 -22.643 1.00 22.22 C ATOM 556 CG LYS A 36 3.471 -3.935 -23.745 1.00 52.12 C ATOM 557 CD LYS A 36 4.222 -3.902 -25.070 1.00 54.33 C ATOM 558 CE LYS A 36 5.619 -4.479 -24.966 1.00 11.51 C ATOM 559 NZ LYS A 36 6.305 -4.454 -26.271 1.00 63.03 N ATOM 0 H LYS A 36 2.571 -4.962 -21.429 1.00 54.30 H new ATOM 0 HA LYS A 36 3.848 -2.431 -20.597 1.00 54.32 H new ATOM 0 HB2 LYS A 36 4.386 -2.125 -23.022 1.00 22.22 H new ATOM 0 HB3 LYS A 36 5.115 -3.591 -22.397 1.00 22.22 H new ATOM 0 HG2 LYS A 36 3.370 -4.969 -23.417 1.00 52.12 H new ATOM 0 HG3 LYS A 36 2.463 -3.549 -23.896 1.00 52.12 H new ATOM 0 HD2 LYS A 36 3.658 -4.461 -25.817 1.00 54.33 H new ATOM 0 HD3 LYS A 36 4.284 -2.872 -25.422 1.00 54.33 H new ATOM 0 HE2 LYS A 36 6.197 -3.910 -24.238 1.00 11.51 H new ATOM 0 HE3 LYS A 36 5.565 -5.504 -24.600 1.00 11.51 H new ATOM 0 HZ1 LYS A 36 7.259 -4.855 -26.169 1.00 63.03 H new ATOM 0 HZ2 LYS A 36 5.764 -5.017 -26.958 1.00 63.03 H new ATOM 0 HZ3 LYS A 36 6.376 -3.472 -26.607 1.00 63.03 H new ATOM 573 N GLY A 37 0.911 -2.913 -21.540 1.00 3.11 N ATOM 574 CA GLY A 37 -0.343 -2.315 -21.936 1.00 4.32 C ATOM 575 C GLY A 37 -0.748 -1.194 -21.025 1.00 51.13 C ATOM 576 O GLY A 37 -0.054 -0.899 -20.038 1.00 30.04 O ATOM 0 H GLY A 37 0.836 -3.842 -21.126 1.00 3.11 H new ATOM 0 HA2 GLY A 37 -0.259 -1.940 -22.956 1.00 4.32 H new ATOM 0 HA3 GLY A 37 -1.122 -3.077 -21.940 1.00 4.32 H new ATOM 580 N ASP A 38 -1.853 -0.561 -21.322 1.00 34.54 N ATOM 581 CA ASP A 38 -2.321 0.473 -20.453 1.00 62.11 C ATOM 582 C ASP A 38 -3.060 -0.170 -19.347 1.00 75.02 C ATOM 583 O ASP A 38 -4.132 -0.728 -19.532 1.00 10.11 O ATOM 584 CB ASP A 38 -3.247 1.490 -21.161 1.00 20.31 C ATOM 585 CG ASP A 38 -2.546 2.423 -22.121 1.00 21.02 C ATOM 586 OD1 ASP A 38 -2.360 2.067 -23.300 1.00 15.03 O ATOM 587 OD2 ASP A 38 -2.171 3.545 -21.707 1.00 13.03 O ATOM 0 H ASP A 38 -2.431 -0.742 -22.142 1.00 34.54 H new ATOM 0 HA ASP A 38 -1.457 1.034 -20.098 1.00 62.11 H new ATOM 0 HB2 ASP A 38 -4.016 0.942 -21.705 1.00 20.31 H new ATOM 0 HB3 ASP A 38 -3.756 2.086 -20.403 1.00 20.31 H new ATOM 592 N PHE A 39 -2.503 -0.109 -18.217 1.00 72.11 N ATOM 593 CA PHE A 39 -3.128 -0.621 -17.071 1.00 3.34 C ATOM 594 C PHE A 39 -3.481 0.560 -16.263 1.00 20.01 C ATOM 595 O PHE A 39 -2.613 1.202 -15.690 1.00 15.14 O ATOM 596 CB PHE A 39 -2.194 -1.574 -16.311 1.00 73.31 C ATOM 597 CG PHE A 39 -1.696 -2.743 -17.143 1.00 11.20 C ATOM 598 CD1 PHE A 39 -2.573 -3.699 -17.618 1.00 32.03 C ATOM 599 CD2 PHE A 39 -0.353 -2.869 -17.458 1.00 31.21 C ATOM 600 CE1 PHE A 39 -2.123 -4.760 -18.381 1.00 71.14 C ATOM 601 CE2 PHE A 39 0.102 -3.927 -18.220 1.00 41.11 C ATOM 602 CZ PHE A 39 -0.783 -4.871 -18.683 1.00 44.24 C ATOM 0 H PHE A 39 -1.585 0.304 -18.052 1.00 72.11 H new ATOM 0 HA PHE A 39 -4.010 -1.212 -17.316 1.00 3.34 H new ATOM 0 HB2 PHE A 39 -1.336 -1.010 -15.945 1.00 73.31 H new ATOM 0 HB3 PHE A 39 -2.718 -1.960 -15.437 1.00 73.31 H new ATOM 0 HD1 PHE A 39 -3.625 -3.616 -17.390 1.00 32.03 H new ATOM 0 HD2 PHE A 39 0.349 -2.129 -17.102 1.00 31.21 H new ATOM 0 HE1 PHE A 39 -2.821 -5.502 -18.740 1.00 71.14 H new ATOM 0 HE2 PHE A 39 1.153 -4.013 -18.452 1.00 41.11 H new ATOM 0 HZ PHE A 39 -0.429 -5.697 -19.282 1.00 44.24 H new ATOM 612 N LEU A 40 -4.728 0.888 -16.248 1.00 23.32 N ATOM 613 CA LEU A 40 -5.133 2.108 -15.629 1.00 10.30 C ATOM 614 C LEU A 40 -5.786 1.806 -14.337 1.00 13.11 C ATOM 615 O LEU A 40 -6.767 1.073 -14.279 1.00 24.32 O ATOM 616 CB LEU A 40 -6.093 2.885 -16.527 1.00 20.24 C ATOM 617 CG LEU A 40 -5.612 3.208 -17.952 1.00 23.34 C ATOM 618 CD1 LEU A 40 -6.689 3.947 -18.716 1.00 62.40 C ATOM 619 CD2 LEU A 40 -4.337 4.028 -17.925 1.00 0.32 C ATOM 0 H LEU A 40 -5.482 0.334 -16.654 1.00 23.32 H new ATOM 0 HA LEU A 40 -4.251 2.726 -15.463 1.00 10.30 H new ATOM 0 HB2 LEU A 40 -7.020 2.317 -16.603 1.00 20.24 H new ATOM 0 HB3 LEU A 40 -6.335 3.825 -16.030 1.00 20.24 H new ATOM 0 HG LEU A 40 -5.401 2.266 -18.457 1.00 23.34 H new ATOM 0 HD11 LEU A 40 -6.334 4.169 -19.722 1.00 62.40 H new ATOM 0 HD12 LEU A 40 -7.584 3.327 -18.775 1.00 62.40 H new ATOM 0 HD13 LEU A 40 -6.926 4.878 -18.202 1.00 62.40 H new ATOM 0 HD21 LEU A 40 -4.020 4.242 -18.946 1.00 0.32 H new ATOM 0 HD22 LEU A 40 -4.518 4.965 -17.398 1.00 0.32 H new ATOM 0 HD23 LEU A 40 -3.555 3.468 -17.412 1.00 0.32 H new ATOM 631 N ILE A 41 -5.260 2.367 -13.308 1.00 65.00 N ATOM 632 CA ILE A 41 -5.745 2.121 -12.013 1.00 54.44 C ATOM 633 C ILE A 41 -6.464 3.341 -11.489 1.00 10.21 C ATOM 634 O ILE A 41 -6.000 4.474 -11.668 1.00 72.41 O ATOM 635 CB ILE A 41 -4.610 1.679 -11.049 1.00 65.40 C ATOM 636 CG1 ILE A 41 -3.851 0.478 -11.675 1.00 0.21 C ATOM 637 CG2 ILE A 41 -5.180 1.328 -9.679 1.00 4.53 C ATOM 638 CD1 ILE A 41 -2.919 -0.270 -10.753 1.00 33.12 C ATOM 0 H ILE A 41 -4.473 3.015 -13.350 1.00 65.00 H new ATOM 0 HA ILE A 41 -6.454 1.295 -12.067 1.00 54.44 H new ATOM 0 HB ILE A 41 -3.907 2.500 -10.906 1.00 65.40 H new ATOM 0 HG12 ILE A 41 -4.585 -0.226 -12.066 1.00 0.21 H new ATOM 0 HG13 ILE A 41 -3.274 0.842 -12.525 1.00 0.21 H new ATOM 0 HG21 ILE A 41 -4.371 1.020 -9.016 1.00 4.53 H new ATOM 0 HG22 ILE A 41 -5.681 2.200 -9.259 1.00 4.53 H new ATOM 0 HG23 ILE A 41 -5.896 0.512 -9.781 1.00 4.53 H new ATOM 0 HD11 ILE A 41 -2.445 -1.086 -11.298 1.00 33.12 H new ATOM 0 HD12 ILE A 41 -2.153 0.410 -10.380 1.00 33.12 H new ATOM 0 HD13 ILE A 41 -3.485 -0.675 -9.914 1.00 33.12 H new ATOM 650 N ARG A 42 -7.612 3.111 -10.904 1.00 43.32 N ATOM 651 CA ARG A 42 -8.403 4.149 -10.334 1.00 3.24 C ATOM 652 C ARG A 42 -7.753 4.552 -9.053 1.00 71.22 C ATOM 653 O ARG A 42 -7.605 3.754 -8.124 1.00 33.12 O ATOM 654 CB ARG A 42 -9.799 3.667 -10.055 1.00 32.40 C ATOM 655 CG ARG A 42 -10.818 4.761 -9.775 1.00 63.10 C ATOM 656 CD ARG A 42 -11.102 5.600 -11.019 1.00 21.30 C ATOM 657 NE ARG A 42 -12.444 6.187 -11.002 1.00 31.02 N ATOM 658 CZ ARG A 42 -12.978 6.935 -11.985 1.00 1.52 C ATOM 659 NH1 ARG A 42 -12.271 7.208 -13.085 1.00 65.21 N ATOM 660 NH2 ARG A 42 -14.218 7.388 -11.871 1.00 63.40 N ATOM 0 H ARG A 42 -8.021 2.181 -10.814 1.00 43.32 H new ATOM 0 HA ARG A 42 -8.470 4.988 -11.027 1.00 3.24 H new ATOM 0 HB2 ARG A 42 -10.142 3.083 -10.909 1.00 32.40 H new ATOM 0 HB3 ARG A 42 -9.769 2.993 -9.199 1.00 32.40 H new ATOM 0 HG2 ARG A 42 -11.745 4.312 -9.419 1.00 63.10 H new ATOM 0 HG3 ARG A 42 -10.450 5.406 -8.977 1.00 63.10 H new ATOM 0 HD2 ARG A 42 -10.361 6.396 -11.094 1.00 21.30 H new ATOM 0 HD3 ARG A 42 -10.992 4.977 -11.907 1.00 21.30 H new ATOM 0 HE ARG A 42 -13.020 6.015 -10.178 1.00 31.02 H new ATOM 0 HH11 ARG A 42 -11.321 6.849 -13.183 1.00 65.21 H new ATOM 0 HH12 ARG A 42 -12.681 7.775 -13.827 1.00 65.21 H new ATOM 0 HH21 ARG A 42 -14.766 7.170 -11.039 1.00 63.40 H new ATOM 0 HH22 ARG A 42 -14.624 7.955 -12.615 1.00 63.40 H new ATOM 674 N THR A 43 -7.374 5.741 -9.016 1.00 23.30 N ATOM 675 CA THR A 43 -6.642 6.272 -7.936 1.00 3.52 C ATOM 676 C THR A 43 -7.245 7.597 -7.590 1.00 41.31 C ATOM 677 O THR A 43 -7.894 8.217 -8.435 1.00 74.52 O ATOM 678 CB THR A 43 -5.125 6.415 -8.301 1.00 62.13 C ATOM 679 OG1 THR A 43 -4.353 6.758 -7.135 1.00 54.11 O ATOM 680 CG2 THR A 43 -4.895 7.473 -9.378 1.00 73.43 C ATOM 0 H THR A 43 -7.563 6.414 -9.758 1.00 23.30 H new ATOM 0 HA THR A 43 -6.693 5.602 -7.078 1.00 3.52 H new ATOM 0 HB THR A 43 -4.801 5.449 -8.689 1.00 62.13 H new ATOM 0 HG1 THR A 43 -3.408 6.841 -7.381 1.00 54.11 H new ATOM 0 HG21 THR A 43 -3.830 7.540 -9.601 1.00 73.43 H new ATOM 0 HG22 THR A 43 -5.438 7.197 -10.282 1.00 73.43 H new ATOM 0 HG23 THR A 43 -5.252 8.439 -9.021 1.00 73.43 H new ATOM 688 N LYS A 44 -7.093 8.025 -6.386 1.00 61.53 N ATOM 689 CA LYS A 44 -7.641 9.273 -6.008 1.00 55.31 C ATOM 690 C LYS A 44 -6.538 10.263 -5.857 1.00 32.24 C ATOM 691 O LYS A 44 -5.691 10.155 -4.976 1.00 61.15 O ATOM 692 CB LYS A 44 -8.485 9.156 -4.734 1.00 12.11 C ATOM 693 CG LYS A 44 -9.680 8.232 -4.907 1.00 4.31 C ATOM 694 CD LYS A 44 -10.570 8.172 -3.674 1.00 54.12 C ATOM 695 CE LYS A 44 -9.857 7.610 -2.458 1.00 14.34 C ATOM 696 NZ LYS A 44 -10.772 7.489 -1.301 1.00 70.13 N ATOM 0 H LYS A 44 -6.594 7.527 -5.649 1.00 61.53 H new ATOM 0 HA LYS A 44 -8.318 9.618 -6.789 1.00 55.31 H new ATOM 0 HB2 LYS A 44 -7.860 8.787 -3.921 1.00 12.11 H new ATOM 0 HB3 LYS A 44 -8.835 10.146 -4.442 1.00 12.11 H new ATOM 0 HG2 LYS A 44 -10.271 8.568 -5.759 1.00 4.31 H new ATOM 0 HG3 LYS A 44 -9.325 7.228 -5.141 1.00 4.31 H new ATOM 0 HD2 LYS A 44 -10.933 9.174 -3.445 1.00 54.12 H new ATOM 0 HD3 LYS A 44 -11.444 7.558 -3.892 1.00 54.12 H new ATOM 0 HE2 LYS A 44 -9.441 6.631 -2.698 1.00 14.34 H new ATOM 0 HE3 LYS A 44 -9.019 8.256 -2.195 1.00 14.34 H new ATOM 0 HZ1 LYS A 44 -10.253 7.102 -0.487 1.00 70.13 H new ATOM 0 HZ2 LYS A 44 -11.149 8.427 -1.057 1.00 70.13 H new ATOM 0 HZ3 LYS A 44 -11.558 6.853 -1.545 1.00 70.13 H new ATOM 710 N LYS A 45 -6.523 11.191 -6.763 1.00 33.35 N ATOM 711 CA LYS A 45 -5.530 12.216 -6.816 1.00 12.13 C ATOM 712 C LYS A 45 -6.222 13.548 -6.895 1.00 24.51 C ATOM 713 O LYS A 45 -7.153 13.722 -7.700 1.00 15.03 O ATOM 714 CB LYS A 45 -4.612 11.996 -8.022 1.00 55.11 C ATOM 715 CG LYS A 45 -3.536 13.041 -8.184 1.00 62.24 C ATOM 716 CD LYS A 45 -2.523 12.612 -9.215 1.00 45.23 C ATOM 717 CE LYS A 45 -1.656 11.461 -8.708 1.00 2.24 C ATOM 718 NZ LYS A 45 -0.605 11.081 -9.670 1.00 71.24 N ATOM 0 H LYS A 45 -7.220 11.257 -7.505 1.00 33.35 H new ATOM 0 HA LYS A 45 -4.909 12.188 -5.920 1.00 12.13 H new ATOM 0 HB2 LYS A 45 -4.141 11.017 -7.931 1.00 55.11 H new ATOM 0 HB3 LYS A 45 -5.220 11.974 -8.927 1.00 55.11 H new ATOM 0 HG2 LYS A 45 -3.985 13.989 -8.481 1.00 62.24 H new ATOM 0 HG3 LYS A 45 -3.040 13.209 -7.228 1.00 62.24 H new ATOM 0 HD2 LYS A 45 -3.038 12.306 -10.126 1.00 45.23 H new ATOM 0 HD3 LYS A 45 -1.888 13.459 -9.476 1.00 45.23 H new ATOM 0 HE2 LYS A 45 -1.193 11.747 -7.763 1.00 2.24 H new ATOM 0 HE3 LYS A 45 -2.288 10.596 -8.504 1.00 2.24 H new ATOM 0 HZ1 LYS A 45 0.226 10.727 -9.154 1.00 71.24 H new ATOM 0 HZ2 LYS A 45 -0.964 10.336 -10.300 1.00 71.24 H new ATOM 0 HZ3 LYS A 45 -0.335 11.911 -10.235 1.00 71.24 H new ATOM 732 N ASP A 46 -5.798 14.469 -6.038 1.00 32.23 N ATOM 733 CA ASP A 46 -6.391 15.812 -5.921 1.00 75.15 C ATOM 734 C ASP A 46 -7.871 15.667 -5.515 1.00 32.33 C ATOM 735 O ASP A 46 -8.718 16.492 -5.811 1.00 64.01 O ATOM 736 CB ASP A 46 -6.208 16.592 -7.256 1.00 13.30 C ATOM 737 CG ASP A 46 -6.678 18.042 -7.213 1.00 44.04 C ATOM 738 OD1 ASP A 46 -6.030 18.875 -6.531 1.00 65.20 O ATOM 739 OD2 ASP A 46 -7.649 18.382 -7.918 1.00 42.44 O ATOM 0 H ASP A 46 -5.024 14.310 -5.393 1.00 32.23 H new ATOM 0 HA ASP A 46 -5.886 16.392 -5.148 1.00 75.15 H new ATOM 0 HB2 ASP A 46 -5.153 16.574 -7.531 1.00 13.30 H new ATOM 0 HB3 ASP A 46 -6.752 16.071 -8.044 1.00 13.30 H new ATOM 744 N GLY A 47 -8.137 14.609 -4.761 1.00 53.24 N ATOM 745 CA GLY A 47 -9.466 14.350 -4.260 1.00 24.23 C ATOM 746 C GLY A 47 -10.429 13.812 -5.310 1.00 53.35 C ATOM 747 O GLY A 47 -11.642 13.857 -5.111 1.00 34.15 O ATOM 0 H GLY A 47 -7.441 13.917 -4.485 1.00 53.24 H new ATOM 0 HA2 GLY A 47 -9.401 13.634 -3.440 1.00 24.23 H new ATOM 0 HA3 GLY A 47 -9.874 15.272 -3.846 1.00 24.23 H new ATOM 751 N LYS A 48 -9.913 13.318 -6.425 1.00 42.34 N ATOM 752 CA LYS A 48 -10.764 12.758 -7.478 1.00 64.31 C ATOM 753 C LYS A 48 -10.297 11.383 -7.893 1.00 30.20 C ATOM 754 O LYS A 48 -9.103 11.108 -7.885 1.00 34.23 O ATOM 755 CB LYS A 48 -10.801 13.668 -8.707 1.00 73.14 C ATOM 756 CG LYS A 48 -11.429 15.028 -8.467 1.00 13.24 C ATOM 757 CD LYS A 48 -11.438 15.875 -9.733 1.00 61.41 C ATOM 758 CE LYS A 48 -12.228 15.223 -10.866 1.00 15.41 C ATOM 759 NZ LYS A 48 -13.641 14.975 -10.503 1.00 13.31 N ATOM 0 H LYS A 48 -8.914 13.291 -6.629 1.00 42.34 H new ATOM 0 HA LYS A 48 -11.768 12.681 -7.061 1.00 64.31 H new ATOM 0 HB2 LYS A 48 -9.782 13.811 -9.068 1.00 73.14 H new ATOM 0 HB3 LYS A 48 -11.352 13.163 -9.500 1.00 73.14 H new ATOM 0 HG2 LYS A 48 -12.450 14.899 -8.108 1.00 13.24 H new ATOM 0 HG3 LYS A 48 -10.879 15.550 -7.684 1.00 13.24 H new ATOM 0 HD2 LYS A 48 -11.867 16.852 -9.510 1.00 61.41 H new ATOM 0 HD3 LYS A 48 -10.412 16.045 -10.060 1.00 61.41 H new ATOM 0 HE2 LYS A 48 -12.190 15.864 -11.747 1.00 15.41 H new ATOM 0 HE3 LYS A 48 -11.755 14.279 -11.138 1.00 15.41 H new ATOM 0 HZ1 LYS A 48 -14.161 14.643 -11.340 1.00 13.31 H new ATOM 0 HZ2 LYS A 48 -13.686 14.251 -9.758 1.00 13.31 H new ATOM 0 HZ3 LYS A 48 -14.070 15.856 -10.156 1.00 13.31 H new ATOM 773 N GLN A 49 -11.243 10.528 -8.257 1.00 10.52 N ATOM 774 CA GLN A 49 -10.943 9.205 -8.721 1.00 61.22 C ATOM 775 C GLN A 49 -10.611 9.313 -10.193 1.00 14.42 C ATOM 776 O GLN A 49 -11.440 9.769 -10.986 1.00 45.42 O ATOM 777 CB GLN A 49 -12.156 8.248 -8.569 1.00 10.43 C ATOM 778 CG GLN A 49 -12.756 8.062 -7.168 1.00 72.41 C ATOM 779 CD GLN A 49 -13.432 9.300 -6.618 1.00 31.21 C ATOM 780 OE1 GLN A 49 -13.939 10.136 -7.375 1.00 3.12 O ATOM 781 NE2 GLN A 49 -13.500 9.403 -5.323 1.00 1.14 N ATOM 0 H GLN A 49 -12.239 10.745 -8.234 1.00 10.52 H new ATOM 0 HA GLN A 49 -10.119 8.802 -8.132 1.00 61.22 H new ATOM 0 HB2 GLN A 49 -12.948 8.606 -9.227 1.00 10.43 H new ATOM 0 HB3 GLN A 49 -11.855 7.267 -8.937 1.00 10.43 H new ATOM 0 HG2 GLN A 49 -13.481 7.248 -7.200 1.00 72.41 H new ATOM 0 HG3 GLN A 49 -11.965 7.758 -6.483 1.00 72.41 H new ATOM 0 HE21 GLN A 49 -13.069 8.693 -4.732 1.00 1.14 H new ATOM 0 HE22 GLN A 49 -13.984 10.194 -4.899 1.00 1.14 H new ATOM 790 N VAL A 50 -9.438 8.916 -10.558 1.00 13.11 N ATOM 791 CA VAL A 50 -8.983 9.014 -11.925 1.00 35.11 C ATOM 792 C VAL A 50 -8.363 7.705 -12.347 1.00 12.40 C ATOM 793 O VAL A 50 -8.001 6.899 -11.500 1.00 22.24 O ATOM 794 CB VAL A 50 -7.920 10.155 -12.100 1.00 21.32 C ATOM 795 CG1 VAL A 50 -8.509 11.520 -11.773 1.00 22.24 C ATOM 796 CG2 VAL A 50 -6.684 9.899 -11.235 1.00 63.01 C ATOM 0 H VAL A 50 -8.755 8.510 -9.919 1.00 13.11 H new ATOM 0 HA VAL A 50 -9.848 9.247 -12.546 1.00 35.11 H new ATOM 0 HB VAL A 50 -7.619 10.152 -13.147 1.00 21.32 H new ATOM 0 HG11 VAL A 50 -7.746 12.287 -11.905 1.00 22.24 H new ATOM 0 HG12 VAL A 50 -9.347 11.724 -12.440 1.00 22.24 H new ATOM 0 HG13 VAL A 50 -8.857 11.528 -10.740 1.00 22.24 H new ATOM 0 HG21 VAL A 50 -5.966 10.707 -11.378 1.00 63.01 H new ATOM 0 HG22 VAL A 50 -6.977 9.855 -10.186 1.00 63.01 H new ATOM 0 HG23 VAL A 50 -6.227 8.952 -11.524 1.00 63.01 H new ATOM 806 N TRP A 51 -8.271 7.474 -13.632 1.00 3.11 N ATOM 807 CA TRP A 51 -7.580 6.317 -14.132 1.00 12.11 C ATOM 808 C TRP A 51 -6.163 6.741 -14.463 1.00 61.32 C ATOM 809 O TRP A 51 -5.953 7.596 -15.331 1.00 52.01 O ATOM 810 CB TRP A 51 -8.240 5.760 -15.413 1.00 42.43 C ATOM 811 CG TRP A 51 -9.626 5.216 -15.279 1.00 63.14 C ATOM 812 CD1 TRP A 51 -10.725 5.693 -15.887 1.00 11.45 C ATOM 813 CD2 TRP A 51 -10.049 4.081 -14.511 1.00 15.10 C ATOM 814 NE1 TRP A 51 -11.822 4.938 -15.558 1.00 70.51 N ATOM 815 CE2 TRP A 51 -11.435 3.942 -14.711 1.00 43.14 C ATOM 816 CE3 TRP A 51 -9.397 3.170 -13.678 1.00 11.31 C ATOM 817 CZ2 TRP A 51 -12.182 2.933 -14.111 1.00 1.22 C ATOM 818 CZ3 TRP A 51 -10.142 2.168 -13.085 1.00 34.12 C ATOM 819 CH2 TRP A 51 -11.519 2.058 -13.304 1.00 4.33 C ATOM 0 H TRP A 51 -8.669 8.076 -14.353 1.00 3.11 H new ATOM 0 HA TRP A 51 -7.609 5.533 -13.375 1.00 12.11 H new ATOM 0 HB2 TRP A 51 -8.258 6.555 -16.158 1.00 42.43 H new ATOM 0 HB3 TRP A 51 -7.602 4.969 -15.807 1.00 42.43 H new ATOM 0 HD1 TRP A 51 -10.742 6.551 -16.543 1.00 11.45 H new ATOM 0 HE1 TRP A 51 -12.773 5.096 -15.893 1.00 70.51 H new ATOM 0 HE3 TRP A 51 -8.334 3.246 -13.501 1.00 11.31 H new ATOM 0 HZ2 TRP A 51 -13.245 2.847 -14.278 1.00 1.22 H new ATOM 0 HZ3 TRP A 51 -9.651 1.455 -12.439 1.00 34.12 H new ATOM 0 HH2 TRP A 51 -12.069 1.262 -12.823 1.00 4.33 H new ATOM 830 N GLU A 52 -5.214 6.203 -13.769 1.00 24.14 N ATOM 831 CA GLU A 52 -3.830 6.524 -14.023 1.00 73.13 C ATOM 832 C GLU A 52 -3.096 5.259 -14.396 1.00 31.02 C ATOM 833 O GLU A 52 -3.390 4.195 -13.856 1.00 34.34 O ATOM 834 CB GLU A 52 -3.181 7.171 -12.796 1.00 21.30 C ATOM 835 CG GLU A 52 -1.739 7.587 -13.030 1.00 13.15 C ATOM 836 CD GLU A 52 -1.082 8.149 -11.812 1.00 42.45 C ATOM 837 OE1 GLU A 52 -0.493 7.370 -11.035 1.00 34.22 O ATOM 838 OE2 GLU A 52 -1.104 9.388 -11.627 1.00 72.21 O ATOM 0 H GLU A 52 -5.364 5.533 -13.014 1.00 24.14 H new ATOM 0 HA GLU A 52 -3.775 7.240 -14.843 1.00 73.13 H new ATOM 0 HB2 GLU A 52 -3.762 8.046 -12.505 1.00 21.30 H new ATOM 0 HB3 GLU A 52 -3.219 6.471 -11.961 1.00 21.30 H new ATOM 0 HG2 GLU A 52 -1.170 6.724 -13.376 1.00 13.15 H new ATOM 0 HG3 GLU A 52 -1.707 8.330 -13.827 1.00 13.15 H new ATOM 845 N ALA A 53 -2.162 5.365 -15.313 1.00 31.54 N ATOM 846 CA ALA A 53 -1.398 4.224 -15.749 1.00 61.02 C ATOM 847 C ALA A 53 -0.549 3.692 -14.611 1.00 23.02 C ATOM 848 O ALA A 53 -0.052 4.467 -13.774 1.00 50.22 O ATOM 849 CB ALA A 53 -0.529 4.580 -16.948 1.00 35.35 C ATOM 0 H ALA A 53 -1.913 6.240 -15.774 1.00 31.54 H new ATOM 0 HA ALA A 53 -2.093 3.443 -16.057 1.00 61.02 H new ATOM 0 HB1 ALA A 53 0.038 3.703 -17.259 1.00 35.35 H new ATOM 0 HB2 ALA A 53 -1.162 4.913 -17.770 1.00 35.35 H new ATOM 0 HB3 ALA A 53 0.160 5.379 -16.674 1.00 35.35 H new ATOM 855 N ALA A 54 -0.418 2.383 -14.566 1.00 22.11 N ATOM 856 CA ALA A 54 0.366 1.694 -13.565 1.00 5.53 C ATOM 857 C ALA A 54 1.818 2.150 -13.588 1.00 72.11 C ATOM 858 O ALA A 54 2.264 2.841 -14.513 1.00 41.40 O ATOM 859 CB ALA A 54 0.277 0.200 -13.777 1.00 54.55 C ATOM 0 H ALA A 54 -0.862 1.757 -15.237 1.00 22.11 H new ATOM 0 HA ALA A 54 -0.042 1.940 -12.585 1.00 5.53 H new ATOM 0 HB1 ALA A 54 0.870 -0.311 -13.019 1.00 54.55 H new ATOM 0 HB2 ALA A 54 -0.763 -0.117 -13.699 1.00 54.55 H new ATOM 0 HB3 ALA A 54 0.659 -0.050 -14.767 1.00 54.55 H new ATOM 865 N SER A 55 2.560 1.742 -12.612 1.00 71.42 N ATOM 866 CA SER A 55 3.888 2.195 -12.482 1.00 14.43 C ATOM 867 C SER A 55 4.815 1.090 -12.866 1.00 20.15 C ATOM 868 O SER A 55 4.520 -0.074 -12.615 1.00 75.35 O ATOM 869 CB SER A 55 4.129 2.618 -11.040 1.00 44.00 C ATOM 870 OG SER A 55 3.169 3.579 -10.642 1.00 51.14 O ATOM 0 H SER A 55 2.257 1.088 -11.890 1.00 71.42 H new ATOM 0 HA SER A 55 4.066 3.050 -13.134 1.00 14.43 H new ATOM 0 HB2 SER A 55 4.076 1.748 -10.385 1.00 44.00 H new ATOM 0 HB3 SER A 55 5.132 3.033 -10.938 1.00 44.00 H new ATOM 0 HG SER A 55 3.334 3.841 -9.712 1.00 51.14 H new ATOM 876 N LYS A 56 5.911 1.452 -13.475 1.00 2.21 N ATOM 877 CA LYS A 56 6.935 0.517 -13.891 1.00 0.32 C ATOM 878 C LYS A 56 7.362 -0.416 -12.755 1.00 40.43 C ATOM 879 O LYS A 56 7.411 -1.613 -12.937 1.00 23.33 O ATOM 880 CB LYS A 56 8.153 1.241 -14.545 1.00 22.10 C ATOM 881 CG LYS A 56 8.893 2.307 -13.686 1.00 51.33 C ATOM 882 CD LYS A 56 8.045 3.549 -13.356 1.00 61.11 C ATOM 883 CE LYS A 56 7.594 4.299 -14.609 1.00 32.54 C ATOM 884 NZ LYS A 56 6.735 5.470 -14.283 1.00 0.24 N ATOM 0 H LYS A 56 6.127 2.422 -13.703 1.00 2.21 H new ATOM 0 HA LYS A 56 6.491 -0.114 -14.661 1.00 0.32 H new ATOM 0 HB2 LYS A 56 8.878 0.482 -14.840 1.00 22.10 H new ATOM 0 HB3 LYS A 56 7.808 1.724 -15.459 1.00 22.10 H new ATOM 0 HG2 LYS A 56 9.218 1.845 -12.754 1.00 51.33 H new ATOM 0 HG3 LYS A 56 9.792 2.624 -14.215 1.00 51.33 H new ATOM 0 HD2 LYS A 56 7.169 3.245 -12.783 1.00 61.11 H new ATOM 0 HD3 LYS A 56 8.623 4.222 -12.722 1.00 61.11 H new ATOM 0 HE2 LYS A 56 8.470 4.636 -15.164 1.00 32.54 H new ATOM 0 HE3 LYS A 56 7.046 3.618 -15.261 1.00 32.54 H new ATOM 0 HZ1 LYS A 56 6.452 5.949 -15.162 1.00 0.24 H new ATOM 0 HZ2 LYS A 56 5.886 5.147 -13.776 1.00 0.24 H new ATOM 0 HZ3 LYS A 56 7.265 6.133 -13.683 1.00 0.24 H new ATOM 898 N THR A 57 7.599 0.135 -11.584 1.00 11.44 N ATOM 899 CA THR A 57 7.993 -0.652 -10.434 1.00 42.44 C ATOM 900 C THR A 57 6.833 -1.519 -9.910 1.00 61.31 C ATOM 901 O THR A 57 7.036 -2.673 -9.499 1.00 10.04 O ATOM 902 CB THR A 57 8.515 0.271 -9.334 1.00 0.00 C ATOM 903 OG1 THR A 57 7.590 1.361 -9.178 1.00 45.31 O ATOM 904 CG2 THR A 57 9.893 0.811 -9.688 1.00 24.05 C ATOM 0 H THR A 57 7.525 1.136 -11.402 1.00 11.44 H new ATOM 0 HA THR A 57 8.787 -1.331 -10.743 1.00 42.44 H new ATOM 0 HB THR A 57 8.602 -0.290 -8.403 1.00 0.00 H new ATOM 0 HG1 THR A 57 7.909 1.963 -8.474 1.00 45.31 H new ATOM 0 HG21 THR A 57 10.243 1.465 -8.890 1.00 24.05 H new ATOM 0 HG22 THR A 57 10.589 -0.019 -9.809 1.00 24.05 H new ATOM 0 HG23 THR A 57 9.835 1.374 -10.620 1.00 24.05 H new ATOM 912 N ALA A 58 5.624 -0.967 -9.955 1.00 54.31 N ATOM 913 CA ALA A 58 4.426 -1.668 -9.505 1.00 42.31 C ATOM 914 C ALA A 58 4.117 -2.845 -10.424 1.00 23.40 C ATOM 915 O ALA A 58 3.725 -3.910 -9.963 1.00 43.21 O ATOM 916 CB ALA A 58 3.240 -0.718 -9.427 1.00 71.41 C ATOM 0 H ALA A 58 5.448 -0.025 -10.303 1.00 54.31 H new ATOM 0 HA ALA A 58 4.614 -2.056 -8.504 1.00 42.31 H new ATOM 0 HB1 ALA A 58 2.359 -1.263 -9.089 1.00 71.41 H new ATOM 0 HB2 ALA A 58 3.462 0.084 -8.723 1.00 71.41 H new ATOM 0 HB3 ALA A 58 3.048 -0.293 -10.412 1.00 71.41 H new ATOM 922 N LEU A 59 4.319 -2.643 -11.723 1.00 41.14 N ATOM 923 CA LEU A 59 4.142 -3.689 -12.712 1.00 54.14 C ATOM 924 C LEU A 59 5.112 -4.848 -12.430 1.00 71.32 C ATOM 925 O LEU A 59 4.763 -6.010 -12.562 1.00 71.21 O ATOM 926 CB LEU A 59 4.350 -3.122 -14.128 1.00 32.45 C ATOM 927 CG LEU A 59 3.308 -2.125 -14.656 1.00 33.40 C ATOM 928 CD1 LEU A 59 3.839 -1.441 -15.907 1.00 3.25 C ATOM 929 CD2 LEU A 59 2.034 -2.856 -15.020 1.00 32.23 C ATOM 0 H LEU A 59 4.610 -1.747 -12.115 1.00 41.14 H new ATOM 0 HA LEU A 59 3.124 -4.074 -12.650 1.00 54.14 H new ATOM 0 HB2 LEU A 59 5.325 -2.635 -14.155 1.00 32.45 H new ATOM 0 HB3 LEU A 59 4.394 -3.961 -14.822 1.00 32.45 H new ATOM 0 HG LEU A 59 3.107 -1.387 -13.879 1.00 33.40 H new ATOM 0 HD11 LEU A 59 3.097 -0.735 -16.278 1.00 3.25 H new ATOM 0 HD12 LEU A 59 4.759 -0.908 -15.668 1.00 3.25 H new ATOM 0 HD13 LEU A 59 4.042 -2.190 -16.673 1.00 3.25 H new ATOM 0 HD21 LEU A 59 1.299 -2.143 -15.394 1.00 32.23 H new ATOM 0 HD22 LEU A 59 2.247 -3.596 -15.792 1.00 32.23 H new ATOM 0 HD23 LEU A 59 1.637 -3.357 -14.137 1.00 32.23 H new ATOM 941 N LYS A 60 6.323 -4.523 -12.013 1.00 14.42 N ATOM 942 CA LYS A 60 7.272 -5.561 -11.620 1.00 5.44 C ATOM 943 C LYS A 60 6.791 -6.324 -10.393 1.00 32.22 C ATOM 944 O LYS A 60 7.075 -7.512 -10.249 1.00 3.15 O ATOM 945 CB LYS A 60 8.709 -5.035 -11.437 1.00 32.11 C ATOM 946 CG LYS A 60 9.531 -4.910 -12.721 1.00 31.52 C ATOM 947 CD LYS A 60 8.903 -4.001 -13.747 1.00 52.41 C ATOM 948 CE LYS A 60 9.770 -3.879 -14.974 1.00 71.53 C ATOM 949 NZ LYS A 60 9.169 -2.986 -15.989 1.00 10.00 N ATOM 0 H LYS A 60 6.672 -3.568 -11.937 1.00 14.42 H new ATOM 0 HA LYS A 60 7.314 -6.262 -12.454 1.00 5.44 H new ATOM 0 HB2 LYS A 60 8.661 -4.056 -10.960 1.00 32.11 H new ATOM 0 HB3 LYS A 60 9.236 -5.699 -10.752 1.00 32.11 H new ATOM 0 HG2 LYS A 60 10.524 -4.535 -12.473 1.00 31.52 H new ATOM 0 HG3 LYS A 60 9.664 -5.900 -13.156 1.00 31.52 H new ATOM 0 HD2 LYS A 60 7.924 -4.388 -14.028 1.00 52.41 H new ATOM 0 HD3 LYS A 60 8.743 -3.014 -13.312 1.00 52.41 H new ATOM 0 HE2 LYS A 60 10.750 -3.497 -14.689 1.00 71.53 H new ATOM 0 HE3 LYS A 60 9.927 -4.867 -15.407 1.00 71.53 H new ATOM 0 HZ1 LYS A 60 9.796 -2.929 -16.817 1.00 10.00 H new ATOM 0 HZ2 LYS A 60 8.245 -3.364 -16.280 1.00 10.00 H new ATOM 0 HZ3 LYS A 60 9.043 -2.036 -15.585 1.00 10.00 H new ATOM 963 N LYS A 61 6.043 -5.654 -9.520 1.00 10.23 N ATOM 964 CA LYS A 61 5.498 -6.309 -8.348 1.00 71.13 C ATOM 965 C LYS A 61 4.402 -7.283 -8.733 1.00 54.21 C ATOM 966 O LYS A 61 4.428 -8.440 -8.308 1.00 10.11 O ATOM 967 CB LYS A 61 4.954 -5.314 -7.330 1.00 12.32 C ATOM 968 CG LYS A 61 5.986 -4.372 -6.740 1.00 41.02 C ATOM 969 CD LYS A 61 5.368 -3.483 -5.664 1.00 51.52 C ATOM 970 CE LYS A 61 4.798 -4.324 -4.517 1.00 2.11 C ATOM 971 NZ LYS A 61 4.244 -3.508 -3.424 1.00 25.13 N ATOM 0 H LYS A 61 5.805 -4.666 -9.606 1.00 10.23 H new ATOM 0 HA LYS A 61 6.323 -6.851 -7.885 1.00 71.13 H new ATOM 0 HB2 LYS A 61 4.173 -4.721 -7.806 1.00 12.32 H new ATOM 0 HB3 LYS A 61 4.484 -5.868 -6.518 1.00 12.32 H new ATOM 0 HG2 LYS A 61 6.807 -4.948 -6.313 1.00 41.02 H new ATOM 0 HG3 LYS A 61 6.410 -3.751 -7.530 1.00 41.02 H new ATOM 0 HD2 LYS A 61 6.122 -2.797 -5.277 1.00 51.52 H new ATOM 0 HD3 LYS A 61 4.577 -2.874 -6.101 1.00 51.52 H new ATOM 0 HE2 LYS A 61 4.017 -4.978 -4.906 1.00 2.11 H new ATOM 0 HE3 LYS A 61 5.584 -4.967 -4.120 1.00 2.11 H new ATOM 0 HZ1 LYS A 61 3.874 -4.132 -2.678 1.00 25.13 H new ATOM 0 HZ2 LYS A 61 4.992 -2.902 -3.029 1.00 25.13 H new ATOM 0 HZ3 LYS A 61 3.474 -2.913 -3.791 1.00 25.13 H new ATOM 985 N SER A 62 3.468 -6.830 -9.563 1.00 43.03 N ATOM 986 CA SER A 62 2.361 -7.650 -10.000 1.00 72.44 C ATOM 987 C SER A 62 2.854 -8.857 -10.800 1.00 12.11 C ATOM 988 O SER A 62 2.342 -9.966 -10.652 1.00 32.04 O ATOM 989 CB SER A 62 1.381 -6.789 -10.813 1.00 34.35 C ATOM 990 OG SER A 62 2.049 -6.053 -11.821 1.00 20.52 O ATOM 0 H SER A 62 3.464 -5.885 -9.947 1.00 43.03 H new ATOM 0 HA SER A 62 1.837 -8.043 -9.129 1.00 72.44 H new ATOM 0 HB2 SER A 62 0.625 -7.429 -11.269 1.00 34.35 H new ATOM 0 HB3 SER A 62 0.858 -6.103 -10.146 1.00 34.35 H new ATOM 0 HG SER A 62 2.356 -6.664 -12.523 1.00 20.52 H new ATOM 996 N TRP A 63 3.886 -8.646 -11.599 1.00 71.12 N ATOM 997 CA TRP A 63 4.426 -9.689 -12.417 1.00 33.42 C ATOM 998 C TRP A 63 5.241 -10.670 -11.575 1.00 4.21 C ATOM 999 O TRP A 63 5.254 -11.857 -11.850 1.00 12.11 O ATOM 1000 CB TRP A 63 5.278 -9.083 -13.525 1.00 73.33 C ATOM 1001 CG TRP A 63 5.773 -10.074 -14.508 1.00 40.23 C ATOM 1002 CD1 TRP A 63 6.994 -10.641 -14.531 1.00 41.13 C ATOM 1003 CD2 TRP A 63 5.045 -10.620 -15.611 1.00 12.12 C ATOM 1004 NE1 TRP A 63 7.089 -11.505 -15.594 1.00 12.21 N ATOM 1005 CE2 TRP A 63 5.898 -11.513 -16.269 1.00 21.23 C ATOM 1006 CE3 TRP A 63 3.750 -10.436 -16.107 1.00 53.04 C ATOM 1007 CZ2 TRP A 63 5.504 -12.224 -17.400 1.00 64.45 C ATOM 1008 CZ3 TRP A 63 3.360 -11.140 -17.224 1.00 53.22 C ATOM 1009 CH2 TRP A 63 4.232 -12.025 -17.860 1.00 50.53 C ATOM 0 H TRP A 63 4.362 -7.749 -11.690 1.00 71.12 H new ATOM 0 HA TRP A 63 3.605 -10.245 -12.870 1.00 33.42 H new ATOM 0 HB2 TRP A 63 4.693 -8.327 -14.048 1.00 73.33 H new ATOM 0 HB3 TRP A 63 6.130 -8.572 -13.077 1.00 73.33 H new ATOM 0 HD1 TRP A 63 7.782 -10.445 -13.819 1.00 41.13 H new ATOM 0 HE1 TRP A 63 7.914 -12.052 -15.841 1.00 12.21 H new ATOM 0 HE3 TRP A 63 3.068 -9.753 -15.622 1.00 53.04 H new ATOM 0 HZ2 TRP A 63 6.178 -12.907 -17.895 1.00 64.45 H new ATOM 0 HZ3 TRP A 63 2.362 -11.005 -17.615 1.00 53.22 H new ATOM 0 HH2 TRP A 63 3.895 -12.564 -18.733 1.00 50.53 H new ATOM 1020 N LYS A 64 5.893 -10.166 -10.535 1.00 43.45 N ATOM 1021 CA LYS A 64 6.719 -10.999 -9.661 1.00 51.42 C ATOM 1022 C LYS A 64 5.885 -12.094 -9.010 1.00 51.31 C ATOM 1023 O LYS A 64 6.288 -13.254 -8.967 1.00 4.21 O ATOM 1024 CB LYS A 64 7.409 -10.149 -8.597 1.00 34.31 C ATOM 1025 CG LYS A 64 8.350 -10.930 -7.703 1.00 70.14 C ATOM 1026 CD LYS A 64 9.030 -10.029 -6.703 1.00 31.42 C ATOM 1027 CE LYS A 64 9.993 -10.812 -5.838 1.00 42.33 C ATOM 1028 NZ LYS A 64 10.661 -9.967 -4.840 1.00 22.10 N ATOM 0 H LYS A 64 5.867 -9.181 -10.273 1.00 43.45 H new ATOM 0 HA LYS A 64 7.487 -11.472 -10.274 1.00 51.42 H new ATOM 0 HB2 LYS A 64 7.968 -9.352 -9.088 1.00 34.31 H new ATOM 0 HB3 LYS A 64 6.649 -9.671 -7.979 1.00 34.31 H new ATOM 0 HG2 LYS A 64 7.795 -11.707 -7.177 1.00 70.14 H new ATOM 0 HG3 LYS A 64 9.101 -11.432 -8.313 1.00 70.14 H new ATOM 0 HD2 LYS A 64 9.566 -9.237 -7.226 1.00 31.42 H new ATOM 0 HD3 LYS A 64 8.282 -9.546 -6.075 1.00 31.42 H new ATOM 0 HE2 LYS A 64 9.454 -11.612 -5.331 1.00 42.33 H new ATOM 0 HE3 LYS A 64 10.744 -11.285 -6.471 1.00 42.33 H new ATOM 0 HZ1 LYS A 64 11.310 -10.548 -4.272 1.00 22.10 H new ATOM 0 HZ2 LYS A 64 11.198 -9.218 -5.323 1.00 22.10 H new ATOM 0 HZ3 LYS A 64 9.948 -9.535 -4.218 1.00 22.10 H new ATOM 1042 N ARG A 65 4.710 -11.724 -8.528 1.00 63.32 N ATOM 1043 CA ARG A 65 3.811 -12.684 -7.922 1.00 53.41 C ATOM 1044 C ARG A 65 3.201 -13.589 -9.004 1.00 64.23 C ATOM 1045 O ARG A 65 2.883 -14.744 -8.757 1.00 33.03 O ATOM 1046 CB ARG A 65 2.690 -11.995 -7.112 1.00 62.14 C ATOM 1047 CG ARG A 65 3.063 -11.350 -5.768 1.00 73.11 C ATOM 1048 CD ARG A 65 4.030 -10.195 -5.900 1.00 10.41 C ATOM 1049 NE ARG A 65 4.233 -9.515 -4.621 1.00 52.34 N ATOM 1050 CZ ARG A 65 5.141 -8.568 -4.374 1.00 14.10 C ATOM 1051 NH1 ARG A 65 6.004 -8.199 -5.319 1.00 75.33 N ATOM 1052 NH2 ARG A 65 5.180 -7.990 -3.175 1.00 2.42 N ATOM 0 H ARG A 65 4.359 -10.766 -8.546 1.00 63.32 H new ATOM 0 HA ARG A 65 4.394 -13.288 -7.227 1.00 53.41 H new ATOM 0 HB2 ARG A 65 2.249 -11.223 -7.742 1.00 62.14 H new ATOM 0 HB3 ARG A 65 1.912 -12.734 -6.923 1.00 62.14 H new ATOM 0 HG2 ARG A 65 2.155 -10.999 -5.278 1.00 73.11 H new ATOM 0 HG3 ARG A 65 3.502 -12.108 -5.120 1.00 73.11 H new ATOM 0 HD2 ARG A 65 4.986 -10.561 -6.274 1.00 10.41 H new ATOM 0 HD3 ARG A 65 3.651 -9.484 -6.635 1.00 10.41 H new ATOM 0 HE ARG A 65 3.626 -9.789 -3.848 1.00 52.34 H new ATOM 0 HH11 ARG A 65 5.974 -8.641 -6.238 1.00 75.33 H new ATOM 0 HH12 ARG A 65 6.695 -7.475 -5.124 1.00 75.33 H new ATOM 0 HH21 ARG A 65 4.518 -8.271 -2.451 1.00 2.42 H new ATOM 0 HH22 ARG A 65 5.871 -7.266 -2.980 1.00 2.42 H new ATOM 1066 N TYR A 66 3.071 -13.046 -10.204 1.00 44.34 N ATOM 1067 CA TYR A 66 2.498 -13.767 -11.332 1.00 65.12 C ATOM 1068 C TYR A 66 3.416 -14.925 -11.745 1.00 4.22 C ATOM 1069 O TYR A 66 2.945 -16.026 -12.075 1.00 60.22 O ATOM 1070 CB TYR A 66 2.250 -12.794 -12.491 1.00 23.40 C ATOM 1071 CG TYR A 66 1.569 -13.398 -13.678 1.00 41.25 C ATOM 1072 CD1 TYR A 66 0.273 -13.841 -13.584 1.00 32.13 C ATOM 1073 CD2 TYR A 66 2.213 -13.504 -14.895 1.00 11.42 C ATOM 1074 CE1 TYR A 66 -0.371 -14.386 -14.665 1.00 53.35 C ATOM 1075 CE2 TYR A 66 1.572 -14.049 -15.987 1.00 31.30 C ATOM 1076 CZ TYR A 66 0.276 -14.489 -15.859 1.00 71.44 C ATOM 1077 OH TYR A 66 -0.366 -15.048 -16.924 1.00 5.13 O ATOM 0 H TYR A 66 3.359 -12.093 -10.425 1.00 44.34 H new ATOM 0 HA TYR A 66 1.540 -14.200 -11.043 1.00 65.12 H new ATOM 0 HB2 TYR A 66 1.647 -11.963 -12.127 1.00 23.40 H new ATOM 0 HB3 TYR A 66 3.206 -12.378 -12.810 1.00 23.40 H new ATOM 0 HD1 TYR A 66 -0.249 -13.759 -12.642 1.00 32.13 H new ATOM 0 HD2 TYR A 66 3.231 -13.156 -14.992 1.00 11.42 H new ATOM 0 HE1 TYR A 66 -1.389 -14.733 -14.570 1.00 53.35 H new ATOM 0 HE2 TYR A 66 2.084 -14.130 -16.935 1.00 31.30 H new ATOM 0 HH TYR A 66 -1.329 -14.883 -16.849 1.00 5.13 H new ATOM 1087 N GLU A 67 4.725 -14.672 -11.707 1.00 54.32 N ATOM 1088 CA GLU A 67 5.742 -15.707 -11.942 1.00 21.20 C ATOM 1089 C GLU A 67 5.531 -16.805 -10.963 1.00 71.23 C ATOM 1090 O GLU A 67 5.521 -17.966 -11.318 1.00 75.40 O ATOM 1091 CB GLU A 67 7.138 -15.120 -11.725 1.00 22.54 C ATOM 1092 CG GLU A 67 7.463 -13.951 -12.618 1.00 14.41 C ATOM 1093 CD GLU A 67 7.729 -14.333 -14.066 1.00 23.12 C ATOM 1094 OE1 GLU A 67 6.905 -15.016 -14.696 1.00 64.34 O ATOM 1095 OE2 GLU A 67 8.789 -13.929 -14.603 1.00 64.20 O ATOM 0 H GLU A 67 5.113 -13.749 -11.514 1.00 54.32 H new ATOM 0 HA GLU A 67 5.658 -16.078 -12.963 1.00 21.20 H new ATOM 0 HB2 GLU A 67 7.230 -14.805 -10.686 1.00 22.54 H new ATOM 0 HB3 GLU A 67 7.878 -15.903 -11.887 1.00 22.54 H new ATOM 0 HG2 GLU A 67 6.636 -13.242 -12.586 1.00 14.41 H new ATOM 0 HG3 GLU A 67 8.339 -13.437 -12.222 1.00 14.41 H new ATOM 1102 N GLN A 68 5.314 -16.412 -9.740 1.00 24.42 N ATOM 1103 CA GLN A 68 5.129 -17.332 -8.639 1.00 75.31 C ATOM 1104 C GLN A 68 3.960 -18.303 -8.855 1.00 24.34 C ATOM 1105 O GLN A 68 4.144 -19.517 -8.707 1.00 4.25 O ATOM 1106 CB GLN A 68 5.020 -16.586 -7.318 1.00 43.51 C ATOM 1107 CG GLN A 68 6.264 -15.776 -7.012 1.00 21.30 C ATOM 1108 CD GLN A 68 6.187 -15.002 -5.720 1.00 72.40 C ATOM 1109 OE1 GLN A 68 5.113 -14.589 -5.286 1.00 31.12 O ATOM 1110 NE2 GLN A 68 7.322 -14.786 -5.109 1.00 42.25 N ATOM 0 H GLN A 68 5.259 -15.430 -9.469 1.00 24.42 H new ATOM 0 HA GLN A 68 6.021 -17.957 -8.597 1.00 75.31 H new ATOM 0 HB2 GLN A 68 4.155 -15.923 -7.348 1.00 43.51 H new ATOM 0 HB3 GLN A 68 4.847 -17.300 -6.513 1.00 43.51 H new ATOM 0 HG2 GLN A 68 7.122 -16.447 -6.971 1.00 21.30 H new ATOM 0 HG3 GLN A 68 6.443 -15.080 -7.831 1.00 21.30 H new ATOM 0 HE21 GLN A 68 8.191 -15.147 -5.504 1.00 42.25 H new ATOM 0 HE22 GLN A 68 7.339 -14.257 -4.237 1.00 42.25 H new ATOM 1119 N GLU A 69 2.773 -17.810 -9.241 1.00 61.10 N ATOM 1120 CA GLU A 69 1.666 -18.742 -9.443 1.00 12.02 C ATOM 1121 C GLU A 69 1.862 -19.624 -10.657 1.00 33.25 C ATOM 1122 O GLU A 69 1.440 -20.775 -10.654 1.00 24.51 O ATOM 1123 CB GLU A 69 0.260 -18.129 -9.432 1.00 5.54 C ATOM 1124 CG GLU A 69 -0.093 -17.166 -10.545 1.00 11.31 C ATOM 1125 CD GLU A 69 -1.582 -16.875 -10.533 1.00 25.41 C ATOM 1126 OE1 GLU A 69 -2.058 -16.173 -9.622 1.00 43.22 O ATOM 1127 OE2 GLU A 69 -2.298 -17.370 -11.401 1.00 31.53 O ATOM 0 H GLU A 69 2.565 -16.826 -9.411 1.00 61.10 H new ATOM 0 HA GLU A 69 1.706 -19.362 -8.547 1.00 12.02 H new ATOM 0 HB2 GLU A 69 -0.462 -18.945 -9.452 1.00 5.54 H new ATOM 0 HB3 GLU A 69 0.128 -17.609 -8.483 1.00 5.54 H new ATOM 0 HG2 GLU A 69 0.467 -16.239 -10.425 1.00 11.31 H new ATOM 0 HG3 GLU A 69 0.194 -17.590 -11.507 1.00 11.31 H new ATOM 1134 N MET A 70 2.500 -19.101 -11.694 1.00 22.44 N ATOM 1135 CA MET A 70 2.777 -19.916 -12.878 1.00 54.20 C ATOM 1136 C MET A 70 3.861 -20.934 -12.586 1.00 74.24 C ATOM 1137 O MET A 70 3.877 -22.016 -13.141 1.00 3.54 O ATOM 1138 CB MET A 70 3.168 -19.076 -14.079 1.00 3.54 C ATOM 1139 CG MET A 70 2.089 -18.134 -14.569 1.00 41.25 C ATOM 1140 SD MET A 70 2.574 -17.281 -16.077 1.00 14.53 S ATOM 1141 CE MET A 70 4.084 -16.491 -15.530 1.00 33.21 C ATOM 0 H MET A 70 2.831 -18.138 -11.745 1.00 22.44 H new ATOM 0 HA MET A 70 1.851 -20.434 -13.126 1.00 54.20 H new ATOM 0 HB2 MET A 70 4.053 -18.493 -13.825 1.00 3.54 H new ATOM 0 HB3 MET A 70 3.449 -19.742 -14.895 1.00 3.54 H new ATOM 0 HG2 MET A 70 1.172 -18.695 -14.749 1.00 41.25 H new ATOM 0 HG3 MET A 70 1.868 -17.401 -13.793 1.00 41.25 H new ATOM 0 HE1 MET A 70 4.313 -15.650 -16.185 1.00 33.21 H new ATOM 0 HE2 MET A 70 3.957 -16.132 -14.509 1.00 33.21 H new ATOM 0 HE3 MET A 70 4.903 -17.209 -15.563 1.00 33.21 H new ATOM 1151 N LEU A 71 4.763 -20.564 -11.716 1.00 30.14 N ATOM 1152 CA LEU A 71 5.823 -21.409 -11.266 1.00 52.30 C ATOM 1153 C LEU A 71 5.261 -22.574 -10.417 1.00 1.23 C ATOM 1154 O LEU A 71 5.740 -23.707 -10.507 1.00 54.35 O ATOM 1155 CB LEU A 71 6.867 -20.502 -10.542 1.00 74.51 C ATOM 1156 CG LEU A 71 8.084 -21.113 -9.851 1.00 54.53 C ATOM 1157 CD1 LEU A 71 9.062 -20.008 -9.484 1.00 21.40 C ATOM 1158 CD2 LEU A 71 7.707 -21.871 -8.590 1.00 51.23 C ATOM 0 H LEU A 71 4.775 -19.637 -11.291 1.00 30.14 H new ATOM 0 HA LEU A 71 6.338 -21.904 -12.089 1.00 52.30 H new ATOM 0 HB2 LEU A 71 7.240 -19.791 -11.279 1.00 74.51 H new ATOM 0 HB3 LEU A 71 6.326 -19.927 -9.790 1.00 74.51 H new ATOM 0 HG LEU A 71 8.536 -21.819 -10.547 1.00 54.53 H new ATOM 0 HD11 LEU A 71 9.932 -20.441 -8.990 1.00 21.40 H new ATOM 0 HD12 LEU A 71 9.379 -19.488 -10.388 1.00 21.40 H new ATOM 0 HD13 LEU A 71 8.577 -19.302 -8.810 1.00 21.40 H new ATOM 0 HD21 LEU A 71 8.605 -22.287 -8.134 1.00 51.23 H new ATOM 0 HD22 LEU A 71 7.225 -21.191 -7.887 1.00 51.23 H new ATOM 0 HD23 LEU A 71 7.020 -22.679 -8.843 1.00 51.23 H new ATOM 1170 N LYS A 72 4.247 -22.290 -9.607 1.00 5.44 N ATOM 1171 CA LYS A 72 3.571 -23.338 -8.824 1.00 42.41 C ATOM 1172 C LYS A 72 2.664 -24.153 -9.738 1.00 54.02 C ATOM 1173 O LYS A 72 2.523 -25.366 -9.580 1.00 11.43 O ATOM 1174 CB LYS A 72 2.742 -22.725 -7.682 1.00 22.44 C ATOM 1175 CG LYS A 72 3.554 -21.946 -6.663 1.00 24.20 C ATOM 1176 CD LYS A 72 4.566 -22.837 -5.970 1.00 63.44 C ATOM 1177 CE LYS A 72 5.398 -22.063 -4.971 1.00 35.30 C ATOM 1178 NZ LYS A 72 6.375 -22.932 -4.289 1.00 50.01 N ATOM 0 H LYS A 72 3.871 -21.352 -9.470 1.00 5.44 H new ATOM 0 HA LYS A 72 4.331 -23.985 -8.386 1.00 42.41 H new ATOM 0 HB2 LYS A 72 1.990 -22.063 -8.111 1.00 22.44 H new ATOM 0 HB3 LYS A 72 2.208 -23.524 -7.168 1.00 22.44 H new ATOM 0 HG2 LYS A 72 4.069 -21.123 -7.158 1.00 24.20 H new ATOM 0 HG3 LYS A 72 2.886 -21.505 -5.923 1.00 24.20 H new ATOM 0 HD2 LYS A 72 4.048 -23.649 -5.461 1.00 63.44 H new ATOM 0 HD3 LYS A 72 5.220 -23.293 -6.714 1.00 63.44 H new ATOM 0 HE2 LYS A 72 5.923 -21.256 -5.482 1.00 35.30 H new ATOM 0 HE3 LYS A 72 4.743 -21.601 -4.232 1.00 35.30 H new ATOM 0 HZ1 LYS A 72 6.928 -22.368 -3.612 1.00 50.01 H new ATOM 0 HZ2 LYS A 72 5.872 -23.688 -3.781 1.00 50.01 H new ATOM 0 HZ3 LYS A 72 7.015 -23.353 -4.992 1.00 50.01 H new ATOM 1192 N ASN A 73 2.064 -23.441 -10.677 1.00 41.22 N ATOM 1193 CA ASN A 73 1.149 -23.946 -11.699 1.00 65.04 C ATOM 1194 C ASN A 73 0.129 -24.959 -11.240 1.00 44.11 C ATOM 1195 O ASN A 73 0.246 -26.166 -11.493 1.00 43.31 O ATOM 1196 CB ASN A 73 1.774 -24.275 -13.093 1.00 53.44 C ATOM 1197 CG ASN A 73 2.781 -25.429 -13.157 1.00 15.14 C ATOM 1198 OD1 ASN A 73 3.503 -25.732 -12.217 1.00 61.14 O ATOM 1199 ND2 ASN A 73 2.832 -26.071 -14.294 1.00 23.23 N ATOM 0 H ASN A 73 2.208 -22.434 -10.755 1.00 41.22 H new ATOM 0 HA ASN A 73 0.562 -23.047 -11.886 1.00 65.04 H new ATOM 0 HB2 ASN A 73 0.960 -24.498 -13.783 1.00 53.44 H new ATOM 0 HB3 ASN A 73 2.267 -23.376 -13.462 1.00 53.44 H new ATOM 0 HD21 ASN A 73 3.485 -26.845 -14.414 1.00 23.23 H new ATOM 0 HD22 ASN A 73 2.219 -25.798 -15.062 1.00 23.23 H new ATOM 1206 N GLU A 74 -0.835 -24.475 -10.510 1.00 32.21 N ATOM 1207 CA GLU A 74 -1.968 -25.262 -10.128 1.00 53.42 C ATOM 1208 C GLU A 74 -3.096 -24.833 -11.030 1.00 71.44 C ATOM 1209 O GLU A 74 -3.691 -25.634 -11.759 1.00 55.43 O ATOM 1210 CB GLU A 74 -2.366 -24.981 -8.677 1.00 14.34 C ATOM 1211 CG GLU A 74 -1.261 -25.162 -7.659 1.00 50.34 C ATOM 1212 CD GLU A 74 -1.752 -24.933 -6.256 1.00 61.05 C ATOM 1213 OE1 GLU A 74 -1.972 -23.764 -5.868 1.00 42.14 O ATOM 1214 OE2 GLU A 74 -1.953 -25.903 -5.529 1.00 24.00 O ATOM 0 H GLU A 74 -0.855 -23.516 -10.162 1.00 32.21 H new ATOM 0 HA GLU A 74 -1.741 -26.325 -10.214 1.00 53.42 H new ATOM 0 HB2 GLU A 74 -2.736 -23.958 -8.610 1.00 14.34 H new ATOM 0 HB3 GLU A 74 -3.195 -25.637 -8.411 1.00 14.34 H new ATOM 0 HG2 GLU A 74 -0.852 -26.169 -7.741 1.00 50.34 H new ATOM 0 HG3 GLU A 74 -0.448 -24.469 -7.877 1.00 50.34 H new ATOM 1221 N LYS A 75 -3.355 -23.555 -11.000 1.00 32.33 N ATOM 1222 CA LYS A 75 -4.371 -22.933 -11.795 1.00 43.43 C ATOM 1223 C LYS A 75 -3.794 -21.694 -12.427 1.00 12.25 C ATOM 1224 O LYS A 75 -3.368 -20.795 -11.722 1.00 1.42 O ATOM 1225 CB LYS A 75 -5.570 -22.518 -10.913 1.00 5.13 C ATOM 1226 CG LYS A 75 -6.651 -21.741 -11.670 1.00 72.14 C ATOM 1227 CD LYS A 75 -7.733 -21.205 -10.741 1.00 65.12 C ATOM 1228 CE LYS A 75 -8.762 -20.391 -11.520 1.00 73.43 C ATOM 1229 NZ LYS A 75 -9.820 -19.834 -10.649 1.00 73.42 N ATOM 0 H LYS A 75 -2.849 -22.901 -10.403 1.00 32.33 H new ATOM 0 HA LYS A 75 -4.711 -23.638 -12.553 1.00 43.43 H new ATOM 0 HB2 LYS A 75 -6.016 -23.412 -10.477 1.00 5.13 H new ATOM 0 HB3 LYS A 75 -5.207 -21.907 -10.086 1.00 5.13 H new ATOM 0 HG2 LYS A 75 -6.191 -20.911 -12.206 1.00 72.14 H new ATOM 0 HG3 LYS A 75 -7.106 -22.390 -12.418 1.00 72.14 H new ATOM 0 HD2 LYS A 75 -8.227 -22.034 -10.234 1.00 65.12 H new ATOM 0 HD3 LYS A 75 -7.280 -20.583 -9.969 1.00 65.12 H new ATOM 0 HE2 LYS A 75 -8.258 -19.577 -12.040 1.00 73.43 H new ATOM 0 HE3 LYS A 75 -9.218 -21.022 -12.282 1.00 73.43 H new ATOM 0 HZ1 LYS A 75 -10.494 -19.290 -11.225 1.00 73.42 H new ATOM 0 HZ2 LYS A 75 -10.321 -20.610 -10.171 1.00 73.42 H new ATOM 0 HZ3 LYS A 75 -9.390 -19.209 -9.937 1.00 73.42 H new ATOM 1243 N VAL A 76 -3.738 -21.655 -13.722 1.00 10.33 N ATOM 1244 CA VAL A 76 -3.327 -20.444 -14.389 1.00 74.21 C ATOM 1245 C VAL A 76 -4.593 -19.729 -14.804 1.00 73.51 C ATOM 1246 O VAL A 76 -4.944 -18.689 -14.247 1.00 34.24 O ATOM 1247 CB VAL A 76 -2.435 -20.721 -15.633 1.00 14.03 C ATOM 1248 CG1 VAL A 76 -1.999 -19.414 -16.294 1.00 64.13 C ATOM 1249 CG2 VAL A 76 -1.216 -21.550 -15.248 1.00 23.11 C ATOM 0 H VAL A 76 -3.967 -22.434 -14.339 1.00 10.33 H new ATOM 0 HA VAL A 76 -2.720 -19.842 -13.713 1.00 74.21 H new ATOM 0 HB VAL A 76 -3.028 -21.288 -16.351 1.00 14.03 H new ATOM 0 HG11 VAL A 76 -1.377 -19.635 -17.161 1.00 64.13 H new ATOM 0 HG12 VAL A 76 -2.879 -18.856 -16.612 1.00 64.13 H new ATOM 0 HG13 VAL A 76 -1.430 -18.818 -15.581 1.00 64.13 H new ATOM 0 HG21 VAL A 76 -0.606 -21.732 -16.133 1.00 23.11 H new ATOM 0 HG22 VAL A 76 -0.628 -21.009 -14.506 1.00 23.11 H new ATOM 0 HG23 VAL A 76 -1.541 -22.502 -14.829 1.00 23.11 H new ATOM 1259 N ALA A 77 -5.291 -20.351 -15.748 1.00 10.24 N ATOM 1260 CA ALA A 77 -6.583 -19.925 -16.260 1.00 33.33 C ATOM 1261 C ALA A 77 -6.680 -18.447 -16.491 1.00 50.44 C ATOM 1262 O ALA A 77 -7.341 -17.717 -15.742 1.00 32.34 O ATOM 1263 CB ALA A 77 -7.722 -20.435 -15.420 1.00 40.34 C ATOM 0 H ALA A 77 -4.954 -21.204 -16.195 1.00 10.24 H new ATOM 0 HA ALA A 77 -6.670 -20.385 -17.244 1.00 33.33 H new ATOM 0 HB1 ALA A 77 -8.667 -20.091 -15.841 1.00 40.34 H new ATOM 0 HB2 ALA A 77 -7.705 -21.525 -15.407 1.00 40.34 H new ATOM 0 HB3 ALA A 77 -7.620 -20.059 -14.402 1.00 40.34 H new ATOM 1269 N ALA A 78 -5.996 -18.009 -17.469 1.00 2.23 N ATOM 1270 CA ALA A 78 -5.987 -16.635 -17.828 1.00 73.43 C ATOM 1271 C ALA A 78 -6.945 -16.435 -18.961 1.00 23.44 C ATOM 1272 O ALA A 78 -6.717 -16.950 -20.058 1.00 11.14 O ATOM 1273 CB ALA A 78 -4.584 -16.210 -18.232 1.00 64.00 C ATOM 0 H ALA A 78 -5.412 -18.600 -18.061 1.00 2.23 H new ATOM 0 HA ALA A 78 -6.292 -16.023 -16.979 1.00 73.43 H new ATOM 0 HB1 ALA A 78 -4.588 -15.155 -18.505 1.00 64.00 H new ATOM 0 HB2 ALA A 78 -3.902 -16.366 -17.396 1.00 64.00 H new ATOM 0 HB3 ALA A 78 -4.255 -16.804 -19.084 1.00 64.00 H new ATOM 1279 N LYS A 79 -8.044 -15.751 -18.702 1.00 21.43 N ATOM 1280 CA LYS A 79 -8.992 -15.476 -19.758 1.00 24.15 C ATOM 1281 C LYS A 79 -8.419 -14.399 -20.667 1.00 51.12 C ATOM 1282 O LYS A 79 -8.547 -13.214 -20.414 1.00 31.23 O ATOM 1283 CB LYS A 79 -10.445 -15.130 -19.255 1.00 52.12 C ATOM 1284 CG LYS A 79 -10.633 -13.848 -18.412 1.00 1.14 C ATOM 1285 CD LYS A 79 -10.183 -13.987 -16.964 1.00 52.22 C ATOM 1286 CE LYS A 79 -11.084 -14.943 -16.184 1.00 72.43 C ATOM 1287 NZ LYS A 79 -10.737 -14.977 -14.745 1.00 34.23 N ATOM 0 H LYS A 79 -8.297 -15.382 -17.785 1.00 21.43 H new ATOM 0 HA LYS A 79 -9.130 -16.398 -20.323 1.00 24.15 H new ATOM 0 HB2 LYS A 79 -11.092 -15.053 -20.129 1.00 52.12 H new ATOM 0 HB3 LYS A 79 -10.804 -15.973 -18.665 1.00 52.12 H new ATOM 0 HG2 LYS A 79 -10.077 -13.034 -18.878 1.00 1.14 H new ATOM 0 HG3 LYS A 79 -11.686 -13.565 -18.429 1.00 1.14 H new ATOM 0 HD2 LYS A 79 -9.155 -14.350 -16.935 1.00 52.22 H new ATOM 0 HD3 LYS A 79 -10.189 -13.008 -16.485 1.00 52.22 H new ATOM 0 HE2 LYS A 79 -12.124 -14.638 -16.300 1.00 72.43 H new ATOM 0 HE3 LYS A 79 -10.998 -15.946 -16.602 1.00 72.43 H new ATOM 0 HZ1 LYS A 79 -11.371 -15.637 -14.251 1.00 34.23 H new ATOM 0 HZ2 LYS A 79 -9.752 -15.293 -14.633 1.00 34.23 H new ATOM 0 HZ3 LYS A 79 -10.844 -14.025 -14.340 1.00 34.23 H new ATOM 1301 N MET A 80 -7.738 -14.824 -21.683 1.00 70.00 N ATOM 1302 CA MET A 80 -7.050 -13.909 -22.538 1.00 41.22 C ATOM 1303 C MET A 80 -7.915 -13.390 -23.634 1.00 21.22 C ATOM 1304 O MET A 80 -8.385 -14.140 -24.490 1.00 51.31 O ATOM 1305 CB MET A 80 -5.803 -14.522 -23.139 1.00 74.32 C ATOM 1306 CG MET A 80 -4.753 -14.956 -22.139 1.00 11.14 C ATOM 1307 SD MET A 80 -3.281 -15.607 -22.953 1.00 30.23 S ATOM 1308 CE MET A 80 -2.763 -14.163 -23.892 1.00 30.24 C ATOM 0 H MET A 80 -7.643 -15.806 -21.942 1.00 70.00 H new ATOM 0 HA MET A 80 -6.764 -13.074 -21.898 1.00 41.22 H new ATOM 0 HB2 MET A 80 -6.094 -15.387 -23.735 1.00 74.32 H new ATOM 0 HB3 MET A 80 -5.355 -13.800 -23.822 1.00 74.32 H new ATOM 0 HG2 MET A 80 -4.477 -14.109 -21.511 1.00 11.14 H new ATOM 0 HG3 MET A 80 -5.171 -15.717 -21.481 1.00 11.14 H new ATOM 0 HE1 MET A 80 -1.699 -14.237 -24.115 1.00 30.24 H new ATOM 0 HE2 MET A 80 -3.327 -14.113 -24.824 1.00 30.24 H new ATOM 0 HE3 MET A 80 -2.949 -13.262 -23.307 1.00 30.24 H new ATOM 1318 N LEU A 81 -8.130 -12.127 -23.603 1.00 23.24 N ATOM 1319 CA LEU A 81 -8.783 -11.432 -24.651 1.00 33.41 C ATOM 1320 C LEU A 81 -8.045 -10.137 -24.817 1.00 1.41 C ATOM 1321 O LEU A 81 -7.800 -9.422 -23.831 1.00 3.12 O ATOM 1322 CB LEU A 81 -10.345 -11.269 -24.427 1.00 21.21 C ATOM 1323 CG LEU A 81 -10.915 -10.406 -23.251 1.00 44.12 C ATOM 1324 CD1 LEU A 81 -10.362 -10.784 -21.889 1.00 63.54 C ATOM 1325 CD2 LEU A 81 -10.826 -8.907 -23.521 1.00 5.41 C ATOM 0 H LEU A 81 -7.849 -11.530 -22.825 1.00 23.24 H new ATOM 0 HA LEU A 81 -8.745 -12.004 -25.578 1.00 33.41 H new ATOM 0 HB2 LEU A 81 -10.757 -10.860 -25.349 1.00 21.21 H new ATOM 0 HB3 LEU A 81 -10.755 -12.272 -24.312 1.00 21.21 H new ATOM 0 HG LEU A 81 -11.976 -10.652 -23.210 1.00 44.12 H new ATOM 0 HD11 LEU A 81 -10.804 -10.143 -21.126 1.00 63.54 H new ATOM 0 HD12 LEU A 81 -10.605 -11.824 -21.674 1.00 63.54 H new ATOM 0 HD13 LEU A 81 -9.279 -10.657 -21.888 1.00 63.54 H new ATOM 0 HD21 LEU A 81 -11.236 -8.359 -22.672 1.00 5.41 H new ATOM 0 HD22 LEU A 81 -9.783 -8.625 -23.666 1.00 5.41 H new ATOM 0 HD23 LEU A 81 -11.396 -8.664 -24.418 1.00 5.41 H new ATOM 1337 N GLU A 82 -7.608 -9.863 -26.006 1.00 41.35 N ATOM 1338 CA GLU A 82 -6.826 -8.688 -26.228 1.00 34.45 C ATOM 1339 C GLU A 82 -7.703 -7.484 -26.319 1.00 23.54 C ATOM 1340 O GLU A 82 -8.408 -7.299 -27.318 1.00 10.22 O ATOM 1341 CB GLU A 82 -5.945 -8.770 -27.487 1.00 40.00 C ATOM 1342 CG GLU A 82 -4.905 -9.887 -27.517 1.00 32.12 C ATOM 1343 CD GLU A 82 -5.498 -11.247 -27.720 1.00 1.23 C ATOM 1344 OE1 GLU A 82 -5.923 -11.544 -28.859 1.00 64.43 O ATOM 1345 OE2 GLU A 82 -5.551 -12.040 -26.770 1.00 25.54 O ATOM 0 H GLU A 82 -7.778 -10.434 -26.834 1.00 41.35 H new ATOM 0 HA GLU A 82 -6.159 -8.606 -25.370 1.00 34.45 H new ATOM 0 HB2 GLU A 82 -6.597 -8.887 -28.353 1.00 40.00 H new ATOM 0 HB3 GLU A 82 -5.427 -7.818 -27.604 1.00 40.00 H new ATOM 0 HG2 GLU A 82 -4.191 -9.687 -28.316 1.00 32.12 H new ATOM 0 HG3 GLU A 82 -4.346 -9.878 -26.581 1.00 32.12 H new ATOM 1352 N LYS A 83 -7.707 -6.680 -25.280 1.00 50.04 N ATOM 1353 CA LYS A 83 -8.437 -5.449 -25.322 1.00 61.11 C ATOM 1354 C LYS A 83 -7.679 -4.455 -26.178 1.00 53.13 C ATOM 1355 O LYS A 83 -6.838 -3.687 -25.693 1.00 12.34 O ATOM 1356 CB LYS A 83 -8.740 -4.876 -23.925 1.00 64.22 C ATOM 1357 CG LYS A 83 -9.492 -3.543 -23.959 1.00 22.10 C ATOM 1358 CD LYS A 83 -10.849 -3.673 -24.644 1.00 12.20 C ATOM 1359 CE LYS A 83 -11.530 -2.321 -24.788 1.00 51.01 C ATOM 1360 NZ LYS A 83 -11.730 -1.657 -23.492 1.00 14.52 N ATOM 0 H LYS A 83 -7.215 -6.861 -24.405 1.00 50.04 H new ATOM 0 HA LYS A 83 -9.411 -5.651 -25.767 1.00 61.11 H new ATOM 0 HB2 LYS A 83 -9.329 -5.602 -23.364 1.00 64.22 H new ATOM 0 HB3 LYS A 83 -7.802 -4.741 -23.386 1.00 64.22 H new ATOM 0 HG2 LYS A 83 -9.632 -3.179 -22.941 1.00 22.10 H new ATOM 0 HG3 LYS A 83 -8.891 -2.800 -24.483 1.00 22.10 H new ATOM 0 HD2 LYS A 83 -10.720 -4.124 -25.628 1.00 12.20 H new ATOM 0 HD3 LYS A 83 -11.486 -4.344 -24.068 1.00 12.20 H new ATOM 0 HE2 LYS A 83 -10.929 -1.680 -25.433 1.00 51.01 H new ATOM 0 HE3 LYS A 83 -12.494 -2.453 -25.279 1.00 51.01 H new ATOM 0 HZ1 LYS A 83 -12.329 -0.817 -23.621 1.00 14.52 H new ATOM 0 HZ2 LYS A 83 -12.194 -2.315 -22.833 1.00 14.52 H new ATOM 0 HZ3 LYS A 83 -10.809 -1.369 -23.104 1.00 14.52 H new ATOM 1374 N ASP A 84 -7.919 -4.550 -27.446 1.00 33.12 N ATOM 1375 CA ASP A 84 -7.309 -3.702 -28.406 1.00 75.42 C ATOM 1376 C ASP A 84 -8.334 -2.767 -28.945 1.00 51.41 C ATOM 1377 O ASP A 84 -9.325 -3.199 -29.563 1.00 60.11 O ATOM 1378 CB ASP A 84 -6.699 -4.523 -29.545 1.00 53.20 C ATOM 1379 CG ASP A 84 -6.011 -3.663 -30.581 1.00 73.54 C ATOM 1380 OD1 ASP A 84 -4.857 -3.254 -30.347 1.00 4.52 O ATOM 1381 OD2 ASP A 84 -6.588 -3.410 -31.653 1.00 61.22 O ATOM 0 H ASP A 84 -8.559 -5.236 -27.847 1.00 33.12 H new ATOM 0 HA ASP A 84 -6.507 -3.139 -27.928 1.00 75.42 H new ATOM 0 HB2 ASP A 84 -5.981 -5.232 -29.132 1.00 53.20 H new ATOM 0 HB3 ASP A 84 -7.483 -5.107 -30.027 1.00 53.20 H new ATOM 1386 N ALA A 85 -8.148 -1.516 -28.680 1.00 73.24 N ATOM 1387 CA ALA A 85 -9.034 -0.510 -29.172 1.00 71.34 C ATOM 1388 C ALA A 85 -8.646 -0.214 -30.595 1.00 22.20 C ATOM 1389 O ALA A 85 -7.544 0.283 -30.844 1.00 61.31 O ATOM 1390 CB ALA A 85 -8.956 0.740 -28.310 1.00 24.44 C ATOM 0 H ALA A 85 -7.376 -1.161 -28.115 1.00 73.24 H new ATOM 0 HA ALA A 85 -10.066 -0.859 -29.134 1.00 71.34 H new ATOM 0 HB1 ALA A 85 -9.638 1.495 -28.701 1.00 24.44 H new ATOM 0 HB2 ALA A 85 -9.236 0.494 -27.286 1.00 24.44 H new ATOM 0 HB3 ALA A 85 -7.938 1.129 -28.324 1.00 24.44 H new ATOM 1396 N THR A 86 -9.524 -0.565 -31.522 1.00 62.41 N ATOM 1397 CA THR A 86 -9.278 -0.407 -32.939 1.00 12.32 C ATOM 1398 C THR A 86 -8.945 1.051 -33.277 1.00 42.41 C ATOM 1399 O THR A 86 -9.809 1.924 -33.217 1.00 52.11 O ATOM 1400 CB THR A 86 -10.517 -0.848 -33.741 1.00 74.11 C ATOM 1401 OG1 THR A 86 -10.919 -2.154 -33.301 1.00 5.50 O ATOM 1402 CG2 THR A 86 -10.200 -0.907 -35.233 1.00 51.44 C ATOM 0 H THR A 86 -10.434 -0.971 -31.305 1.00 62.41 H new ATOM 0 HA THR A 86 -8.426 -1.032 -33.207 1.00 12.32 H new ATOM 0 HB THR A 86 -11.316 -0.125 -33.577 1.00 74.11 H new ATOM 0 HG1 THR A 86 -11.708 -2.441 -33.806 1.00 5.50 H new ATOM 0 HG21 THR A 86 -11.088 -1.220 -35.782 1.00 51.44 H new ATOM 0 HG22 THR A 86 -9.889 0.079 -35.578 1.00 51.44 H new ATOM 0 HG23 THR A 86 -9.396 -1.622 -35.406 1.00 51.44 H new ATOM 1410 N GLU A 87 -7.696 1.308 -33.575 1.00 11.33 N ATOM 1411 CA GLU A 87 -7.277 2.634 -33.932 1.00 71.24 C ATOM 1412 C GLU A 87 -7.032 2.632 -35.437 1.00 41.11 C ATOM 1413 O GLU A 87 -6.003 2.125 -35.903 1.00 11.13 O ATOM 1414 CB GLU A 87 -5.981 2.995 -33.170 1.00 11.43 C ATOM 1415 CG GLU A 87 -5.662 4.496 -33.043 1.00 41.41 C ATOM 1416 CD GLU A 87 -5.554 5.240 -34.351 1.00 44.33 C ATOM 1417 OE1 GLU A 87 -4.469 5.257 -34.956 1.00 11.02 O ATOM 1418 OE2 GLU A 87 -6.559 5.836 -34.781 1.00 31.32 O ATOM 0 H GLU A 87 -6.951 0.611 -33.576 1.00 11.33 H new ATOM 0 HA GLU A 87 -8.033 3.374 -33.669 1.00 71.24 H new ATOM 0 HB2 GLU A 87 -6.044 2.572 -32.167 1.00 11.43 H new ATOM 0 HB3 GLU A 87 -5.143 2.508 -33.669 1.00 11.43 H new ATOM 0 HG2 GLU A 87 -6.437 4.966 -32.438 1.00 41.41 H new ATOM 0 HG3 GLU A 87 -4.723 4.607 -32.501 1.00 41.41 H new ATOM 1425 N VAL A 88 -7.995 3.123 -36.183 1.00 32.42 N ATOM 1426 CA VAL A 88 -7.916 3.184 -37.637 1.00 31.34 C ATOM 1427 C VAL A 88 -8.501 4.496 -38.122 1.00 51.25 C ATOM 1428 O VAL A 88 -9.307 5.114 -37.417 1.00 53.24 O ATOM 1429 CB VAL A 88 -8.665 1.998 -38.338 1.00 23.42 C ATOM 1430 CG1 VAL A 88 -8.017 0.658 -38.020 1.00 30.13 C ATOM 1431 CG2 VAL A 88 -10.144 1.980 -37.960 1.00 2.04 C ATOM 0 H VAL A 88 -8.864 3.496 -35.802 1.00 32.42 H new ATOM 0 HA VAL A 88 -6.862 3.107 -37.902 1.00 31.34 H new ATOM 0 HB VAL A 88 -8.587 2.160 -39.413 1.00 23.42 H new ATOM 0 HG11 VAL A 88 -8.564 -0.139 -38.523 1.00 30.13 H new ATOM 0 HG12 VAL A 88 -6.983 0.663 -38.365 1.00 30.13 H new ATOM 0 HG13 VAL A 88 -8.039 0.489 -36.943 1.00 30.13 H new ATOM 0 HG21 VAL A 88 -10.637 1.147 -38.461 1.00 2.04 H new ATOM 0 HG22 VAL A 88 -10.242 1.864 -36.881 1.00 2.04 H new ATOM 0 HG23 VAL A 88 -10.610 2.916 -38.268 1.00 2.04 H new ATOM 1441 N GLY A 89 -8.113 4.923 -39.298 1.00 31.50 N ATOM 1442 CA GLY A 89 -8.617 6.164 -39.800 1.00 44.23 C ATOM 1443 C GLY A 89 -8.102 6.505 -41.169 1.00 54.20 C ATOM 1444 O GLY A 89 -7.013 7.068 -41.315 1.00 32.34 O ATOM 0 H GLY A 89 -7.461 4.435 -39.912 1.00 31.50 H new ATOM 0 HA2 GLY A 89 -9.706 6.121 -39.830 1.00 44.23 H new ATOM 0 HA3 GLY A 89 -8.349 6.963 -39.109 1.00 44.23 H new ATOM 1448 N VAL A 90 -8.858 6.145 -42.168 1.00 1.42 N ATOM 1449 CA VAL A 90 -8.551 6.505 -43.528 1.00 61.21 C ATOM 1450 C VAL A 90 -9.846 6.739 -44.311 1.00 43.43 C ATOM 1451 O VAL A 90 -10.746 5.889 -44.332 1.00 72.42 O ATOM 1452 CB VAL A 90 -7.633 5.455 -44.252 1.00 34.43 C ATOM 1453 CG1 VAL A 90 -8.265 4.074 -44.307 1.00 63.45 C ATOM 1454 CG2 VAL A 90 -7.248 5.937 -45.648 1.00 5.33 C ATOM 0 H VAL A 90 -9.708 5.591 -42.064 1.00 1.42 H new ATOM 0 HA VAL A 90 -7.977 7.431 -43.495 1.00 61.21 H new ATOM 0 HB VAL A 90 -6.725 5.364 -43.657 1.00 34.43 H new ATOM 0 HG11 VAL A 90 -7.591 3.386 -44.817 1.00 63.45 H new ATOM 0 HG12 VAL A 90 -8.449 3.718 -43.294 1.00 63.45 H new ATOM 0 HG13 VAL A 90 -9.209 4.127 -44.850 1.00 63.45 H new ATOM 0 HG21 VAL A 90 -6.613 5.192 -46.128 1.00 5.33 H new ATOM 0 HG22 VAL A 90 -8.149 6.083 -46.244 1.00 5.33 H new ATOM 0 HG23 VAL A 90 -6.707 6.880 -45.571 1.00 5.33 H new ATOM 1464 N LYS A 91 -9.965 7.907 -44.875 1.00 32.32 N ATOM 1465 CA LYS A 91 -11.093 8.247 -45.710 1.00 64.30 C ATOM 1466 C LYS A 91 -10.617 8.564 -47.103 1.00 64.52 C ATOM 1467 O LYS A 91 -9.711 9.393 -47.289 1.00 32.42 O ATOM 1468 CB LYS A 91 -11.905 9.452 -45.170 1.00 70.30 C ATOM 1469 CG LYS A 91 -12.758 9.228 -43.910 1.00 2.31 C ATOM 1470 CD LYS A 91 -11.949 8.895 -42.675 1.00 52.34 C ATOM 1471 CE LYS A 91 -12.854 8.800 -41.457 1.00 72.41 C ATOM 1472 NZ LYS A 91 -12.125 8.428 -40.233 1.00 15.12 N ATOM 0 H LYS A 91 -9.282 8.657 -44.771 1.00 32.32 H new ATOM 0 HA LYS A 91 -11.754 7.380 -45.712 1.00 64.30 H new ATOM 0 HB2 LYS A 91 -11.206 10.262 -44.963 1.00 70.30 H new ATOM 0 HB3 LYS A 91 -12.565 9.796 -45.966 1.00 70.30 H new ATOM 0 HG2 LYS A 91 -13.346 10.125 -43.717 1.00 2.31 H new ATOM 0 HG3 LYS A 91 -13.464 8.419 -44.100 1.00 2.31 H new ATOM 0 HD2 LYS A 91 -11.424 7.951 -42.820 1.00 52.34 H new ATOM 0 HD3 LYS A 91 -11.190 9.660 -42.513 1.00 52.34 H new ATOM 0 HE2 LYS A 91 -13.349 9.758 -41.302 1.00 72.41 H new ATOM 0 HE3 LYS A 91 -13.635 8.064 -41.647 1.00 72.41 H new ATOM 0 HZ1 LYS A 91 -12.790 8.378 -39.435 1.00 15.12 H new ATOM 0 HZ2 LYS A 91 -11.673 7.501 -40.366 1.00 15.12 H new ATOM 0 HZ3 LYS A 91 -11.396 9.142 -40.032 1.00 15.12 H new ATOM 1486 N ALA A 92 -11.186 7.901 -48.067 1.00 61.14 N ATOM 1487 CA ALA A 92 -10.893 8.162 -49.442 1.00 60.44 C ATOM 1488 C ALA A 92 -12.148 7.990 -50.268 1.00 10.10 C ATOM 1489 O ALA A 92 -12.430 6.906 -50.774 1.00 24.03 O ATOM 1490 CB ALA A 92 -9.763 7.274 -49.962 1.00 15.24 C ATOM 0 H ALA A 92 -11.871 7.160 -47.918 1.00 61.14 H new ATOM 0 HA ALA A 92 -10.546 9.192 -49.530 1.00 60.44 H new ATOM 0 HB1 ALA A 92 -9.572 7.504 -51.010 1.00 15.24 H new ATOM 0 HB2 ALA A 92 -8.860 7.457 -49.380 1.00 15.24 H new ATOM 0 HB3 ALA A 92 -10.050 6.227 -49.867 1.00 15.24 H new ATOM 1496 N ALA A 93 -12.934 9.032 -50.329 1.00 72.12 N ATOM 1497 CA ALA A 93 -14.150 9.016 -51.095 1.00 54.03 C ATOM 1498 C ALA A 93 -14.304 10.316 -51.844 1.00 13.41 C ATOM 1499 O ALA A 93 -14.935 11.266 -51.363 1.00 0.43 O ATOM 1500 CB ALA A 93 -15.366 8.732 -50.222 1.00 74.40 C ATOM 0 H ALA A 93 -12.749 9.913 -49.850 1.00 72.12 H new ATOM 0 HA ALA A 93 -14.086 8.202 -51.817 1.00 54.03 H new ATOM 0 HB1 ALA A 93 -16.264 8.729 -50.839 1.00 74.40 H new ATOM 0 HB2 ALA A 93 -15.251 7.760 -49.743 1.00 74.40 H new ATOM 0 HB3 ALA A 93 -15.454 9.504 -49.458 1.00 74.40 H new ATOM 1506 N LEU A 94 -13.674 10.371 -52.985 1.00 14.21 N ATOM 1507 CA LEU A 94 -13.677 11.530 -53.848 1.00 14.43 C ATOM 1508 C LEU A 94 -13.291 11.119 -55.247 1.00 34.43 C ATOM 1509 O LEU A 94 -12.449 10.229 -55.413 1.00 43.41 O ATOM 1510 CB LEU A 94 -12.774 12.670 -53.264 1.00 63.11 C ATOM 1511 CG LEU A 94 -11.331 12.314 -52.779 1.00 74.34 C ATOM 1512 CD1 LEU A 94 -10.403 11.903 -53.906 1.00 62.45 C ATOM 1513 CD2 LEU A 94 -10.737 13.470 -52.001 1.00 44.13 C ATOM 0 H LEU A 94 -13.128 9.592 -53.354 1.00 14.21 H new ATOM 0 HA LEU A 94 -14.682 11.948 -53.899 1.00 14.43 H new ATOM 0 HB2 LEU A 94 -12.684 13.443 -54.027 1.00 63.11 H new ATOM 0 HB3 LEU A 94 -13.305 13.113 -52.422 1.00 63.11 H new ATOM 0 HG LEU A 94 -11.429 11.445 -52.128 1.00 74.34 H new ATOM 0 HD11 LEU A 94 -9.419 11.670 -53.500 1.00 62.45 H new ATOM 0 HD12 LEU A 94 -10.807 11.023 -54.407 1.00 62.45 H new ATOM 0 HD13 LEU A 94 -10.316 12.720 -54.622 1.00 62.45 H new ATOM 0 HD21 LEU A 94 -9.732 13.208 -51.670 1.00 44.13 H new ATOM 0 HD22 LEU A 94 -10.690 14.352 -52.639 1.00 44.13 H new ATOM 0 HD23 LEU A 94 -11.361 13.683 -51.133 1.00 44.13 H new ATOM 1525 N GLU A 95 -13.919 11.709 -56.251 1.00 71.04 N ATOM 1526 CA GLU A 95 -13.628 11.354 -57.626 1.00 40.35 C ATOM 1527 C GLU A 95 -14.276 12.302 -58.611 1.00 40.20 C ATOM 1528 O GLU A 95 -15.321 12.912 -58.334 1.00 72.31 O ATOM 1529 CB GLU A 95 -14.114 9.926 -57.943 1.00 43.22 C ATOM 1530 CG GLU A 95 -15.607 9.737 -57.733 1.00 2.42 C ATOM 1531 CD GLU A 95 -16.086 8.368 -58.103 1.00 24.22 C ATOM 1532 OE1 GLU A 95 -15.895 7.418 -57.311 1.00 2.52 O ATOM 1533 OE2 GLU A 95 -16.689 8.221 -59.173 1.00 52.52 O ATOM 0 H GLU A 95 -14.630 12.432 -56.139 1.00 71.04 H new ATOM 0 HA GLU A 95 -12.545 11.417 -57.731 1.00 40.35 H new ATOM 0 HB2 GLU A 95 -13.867 9.687 -58.977 1.00 43.22 H new ATOM 0 HB3 GLU A 95 -13.574 9.218 -57.315 1.00 43.22 H new ATOM 0 HG2 GLU A 95 -15.847 9.929 -56.687 1.00 2.42 H new ATOM 0 HG3 GLU A 95 -16.147 10.476 -58.325 1.00 2.42 H new ATOM 1540 N GLU A 96 -13.640 12.434 -59.731 1.00 34.45 N ATOM 1541 CA GLU A 96 -14.174 13.100 -60.878 1.00 74.42 C ATOM 1542 C GLU A 96 -13.567 12.457 -62.116 1.00 14.24 C ATOM 1543 O GLU A 96 -12.481 12.826 -62.580 1.00 74.32 O ATOM 1544 CB GLU A 96 -14.059 14.666 -60.848 1.00 52.41 C ATOM 1545 CG GLU A 96 -12.655 15.285 -60.733 1.00 50.45 C ATOM 1546 CD GLU A 96 -11.940 14.988 -59.430 1.00 42.21 C ATOM 1547 OE1 GLU A 96 -12.233 15.647 -58.409 1.00 72.25 O ATOM 1548 OE2 GLU A 96 -11.040 14.130 -59.424 1.00 32.34 O ATOM 0 H GLU A 96 -12.700 12.068 -59.878 1.00 34.45 H new ATOM 0 HA GLU A 96 -15.255 12.961 -60.888 1.00 74.42 H new ATOM 0 HB2 GLU A 96 -14.521 15.052 -61.757 1.00 52.41 H new ATOM 0 HB3 GLU A 96 -14.654 15.029 -60.009 1.00 52.41 H new ATOM 0 HG2 GLU A 96 -12.043 14.922 -61.559 1.00 50.45 H new ATOM 0 HG3 GLU A 96 -12.738 16.366 -60.849 1.00 50.45 H new ATOM 1555 N ALA A 97 -14.235 11.432 -62.595 1.00 54.13 N ATOM 1556 CA ALA A 97 -13.710 10.613 -63.666 1.00 60.12 C ATOM 1557 C ALA A 97 -14.641 10.567 -64.868 1.00 62.21 C ATOM 1558 O ALA A 97 -14.534 9.675 -65.706 1.00 72.54 O ATOM 1559 CB ALA A 97 -13.461 9.207 -63.135 1.00 63.12 C ATOM 0 H ALA A 97 -15.153 11.143 -62.256 1.00 54.13 H new ATOM 0 HA ALA A 97 -12.776 11.058 -64.010 1.00 60.12 H new ATOM 0 HB1 ALA A 97 -13.065 8.581 -63.935 1.00 63.12 H new ATOM 0 HB2 ALA A 97 -12.742 9.249 -62.317 1.00 63.12 H new ATOM 0 HB3 ALA A 97 -14.398 8.784 -62.773 1.00 63.12 H new ATOM 1565 N LYS A 98 -15.537 11.513 -64.971 1.00 41.34 N ATOM 1566 CA LYS A 98 -16.426 11.546 -66.112 1.00 4.52 C ATOM 1567 C LYS A 98 -16.138 12.725 -67.022 1.00 74.45 C ATOM 1568 O LYS A 98 -16.586 13.851 -66.766 1.00 44.32 O ATOM 1569 CB LYS A 98 -17.903 11.536 -65.707 1.00 12.42 C ATOM 1570 CG LYS A 98 -18.347 10.291 -64.953 1.00 52.15 C ATOM 1571 CD LYS A 98 -19.847 10.321 -64.667 1.00 20.10 C ATOM 1572 CE LYS A 98 -20.242 11.503 -63.789 1.00 34.31 C ATOM 1573 NZ LYS A 98 -19.615 11.439 -62.451 1.00 21.22 N ATOM 0 H LYS A 98 -15.673 12.262 -64.292 1.00 41.34 H new ATOM 0 HA LYS A 98 -16.230 10.629 -66.668 1.00 4.52 H new ATOM 0 HB2 LYS A 98 -18.102 12.410 -65.087 1.00 12.42 H new ATOM 0 HB3 LYS A 98 -18.513 11.637 -66.605 1.00 12.42 H new ATOM 0 HG2 LYS A 98 -18.104 9.403 -65.537 1.00 52.15 H new ATOM 0 HG3 LYS A 98 -17.797 10.216 -64.015 1.00 52.15 H new ATOM 0 HD2 LYS A 98 -20.394 10.371 -65.609 1.00 20.10 H new ATOM 0 HD3 LYS A 98 -20.140 9.393 -64.177 1.00 20.10 H new ATOM 0 HE2 LYS A 98 -19.952 12.432 -64.280 1.00 34.31 H new ATOM 0 HE3 LYS A 98 -21.326 11.526 -63.680 1.00 34.31 H new ATOM 0 HZ1 LYS A 98 -20.027 12.173 -61.839 1.00 21.22 H new ATOM 0 HZ2 LYS A 98 -19.786 10.503 -62.032 1.00 21.22 H new ATOM 0 HZ3 LYS A 98 -18.591 11.597 -62.540 1.00 21.22 H new ATOM 1587 N LYS A 99 -15.365 12.474 -68.048 1.00 73.40 N ATOM 1588 CA LYS A 99 -15.073 13.456 -69.064 1.00 65.22 C ATOM 1589 C LYS A 99 -15.230 12.772 -70.406 1.00 4.14 C ATOM 1590 O LYS A 99 -14.342 12.035 -70.854 1.00 72.41 O ATOM 1591 CB LYS A 99 -13.640 14.053 -68.869 1.00 51.52 C ATOM 1592 CG LYS A 99 -13.244 15.255 -69.781 1.00 24.01 C ATOM 1593 CD LYS A 99 -12.995 14.897 -71.259 1.00 63.44 C ATOM 1594 CE LYS A 99 -11.785 13.975 -71.424 1.00 23.23 C ATOM 1595 NZ LYS A 99 -11.519 13.646 -72.843 1.00 1.40 N ATOM 0 H LYS A 99 -14.915 11.572 -68.204 1.00 73.40 H new ATOM 0 HA LYS A 99 -15.759 14.301 -68.999 1.00 65.22 H new ATOM 0 HB2 LYS A 99 -13.543 14.369 -67.830 1.00 51.52 H new ATOM 0 HB3 LYS A 99 -12.916 13.254 -69.028 1.00 51.52 H new ATOM 0 HG2 LYS A 99 -14.034 16.004 -69.732 1.00 24.01 H new ATOM 0 HG3 LYS A 99 -12.342 15.716 -69.378 1.00 24.01 H new ATOM 0 HD2 LYS A 99 -13.880 14.412 -71.670 1.00 63.44 H new ATOM 0 HD3 LYS A 99 -12.837 15.810 -71.833 1.00 63.44 H new ATOM 0 HE2 LYS A 99 -10.905 14.453 -70.993 1.00 23.23 H new ATOM 0 HE3 LYS A 99 -11.954 13.054 -70.865 1.00 23.23 H new ATOM 0 HZ1 LYS A 99 -10.691 13.020 -72.905 1.00 1.40 H new ATOM 0 HZ2 LYS A 99 -12.347 13.166 -73.249 1.00 1.40 H new ATOM 0 HZ3 LYS A 99 -11.332 14.521 -73.373 1.00 1.40 H new ATOM 1609 N VAL A 100 -16.383 12.947 -71.007 1.00 23.01 N ATOM 1610 CA VAL A 100 -16.684 12.326 -72.282 1.00 73.30 C ATOM 1611 C VAL A 100 -17.304 13.327 -73.247 1.00 33.43 C ATOM 1612 O VAL A 100 -17.789 14.398 -72.837 1.00 34.55 O ATOM 1613 CB VAL A 100 -17.627 11.088 -72.138 1.00 23.14 C ATOM 1614 CG1 VAL A 100 -16.952 9.964 -71.358 1.00 31.13 C ATOM 1615 CG2 VAL A 100 -18.933 11.479 -71.462 1.00 65.51 C ATOM 0 H VAL A 100 -17.138 13.521 -70.631 1.00 23.01 H new ATOM 0 HA VAL A 100 -15.732 11.978 -72.682 1.00 73.30 H new ATOM 0 HB VAL A 100 -17.845 10.725 -73.142 1.00 23.14 H new ATOM 0 HG11 VAL A 100 -17.634 9.118 -71.275 1.00 31.13 H new ATOM 0 HG12 VAL A 100 -16.047 9.651 -71.880 1.00 31.13 H new ATOM 0 HG13 VAL A 100 -16.692 10.319 -70.361 1.00 31.13 H new ATOM 0 HG21 VAL A 100 -19.573 10.601 -71.373 1.00 65.51 H new ATOM 0 HG22 VAL A 100 -18.724 11.878 -70.470 1.00 65.51 H new ATOM 0 HG23 VAL A 100 -19.439 12.238 -72.059 1.00 65.51 H new ATOM 1625 N GLN A 101 -17.278 12.990 -74.506 1.00 25.21 N ATOM 1626 CA GLN A 101 -17.847 13.804 -75.553 1.00 11.01 C ATOM 1627 C GLN A 101 -18.446 12.888 -76.595 1.00 73.32 C ATOM 1628 O GLN A 101 -18.402 11.666 -76.436 1.00 20.41 O ATOM 1629 CB GLN A 101 -16.774 14.704 -76.178 1.00 60.20 C ATOM 1630 CG GLN A 101 -15.616 13.951 -76.809 1.00 61.11 C ATOM 1631 CD GLN A 101 -14.589 14.877 -77.414 1.00 41.21 C ATOM 1632 OE1 GLN A 101 -14.393 15.998 -76.950 1.00 10.41 O ATOM 1633 NE2 GLN A 101 -13.938 14.427 -78.446 1.00 12.21 N ATOM 0 H GLN A 101 -16.854 12.126 -74.844 1.00 25.21 H new ATOM 0 HA GLN A 101 -18.621 14.451 -75.141 1.00 11.01 H new ATOM 0 HB2 GLN A 101 -17.240 15.332 -76.937 1.00 60.20 H new ATOM 0 HB3 GLN A 101 -16.383 15.371 -75.409 1.00 60.20 H new ATOM 0 HG2 GLN A 101 -15.138 13.326 -76.054 1.00 61.11 H new ATOM 0 HG3 GLN A 101 -15.998 13.283 -77.581 1.00 61.11 H new ATOM 0 HE21 GLN A 101 -14.130 13.490 -78.801 1.00 12.21 H new ATOM 0 HE22 GLN A 101 -13.236 15.011 -78.900 1.00 12.21 H new ATOM 1642 N ILE A 102 -19.010 13.437 -77.626 1.00 24.12 N ATOM 1643 CA ILE A 102 -19.568 12.634 -78.680 1.00 14.44 C ATOM 1644 C ILE A 102 -19.254 13.242 -80.043 1.00 40.13 C ATOM 1645 O ILE A 102 -19.800 14.274 -80.423 1.00 55.11 O ATOM 1646 CB ILE A 102 -21.114 12.384 -78.495 1.00 51.21 C ATOM 1647 CG1 ILE A 102 -21.706 11.565 -79.661 1.00 22.41 C ATOM 1648 CG2 ILE A 102 -21.890 13.680 -78.280 1.00 13.04 C ATOM 1649 CD1 ILE A 102 -21.123 10.169 -79.805 1.00 52.55 C ATOM 0 H ILE A 102 -19.098 14.444 -77.764 1.00 24.12 H new ATOM 0 HA ILE A 102 -19.094 11.654 -78.627 1.00 14.44 H new ATOM 0 HB ILE A 102 -21.223 11.792 -77.586 1.00 51.21 H new ATOM 0 HG12 ILE A 102 -22.784 11.483 -79.521 1.00 22.41 H new ATOM 0 HG13 ILE A 102 -21.546 12.111 -80.591 1.00 22.41 H new ATOM 0 HG21 ILE A 102 -22.949 13.454 -78.158 1.00 13.04 H new ATOM 0 HG22 ILE A 102 -21.521 14.181 -77.385 1.00 13.04 H new ATOM 0 HG23 ILE A 102 -21.755 14.332 -79.143 1.00 13.04 H new ATOM 0 HD11 ILE A 102 -21.594 9.663 -80.648 1.00 52.55 H new ATOM 0 HD12 ILE A 102 -20.049 10.239 -79.978 1.00 52.55 H new ATOM 0 HD13 ILE A 102 -21.307 9.602 -78.892 1.00 52.55 H new ATOM 1661 N GLU A 103 -18.339 12.628 -80.747 1.00 10.15 N ATOM 1662 CA GLU A 103 -18.005 13.064 -82.074 1.00 14.51 C ATOM 1663 C GLU A 103 -18.821 12.281 -83.064 1.00 31.12 C ATOM 1664 O GLU A 103 -18.810 11.044 -83.046 1.00 62.23 O ATOM 1665 CB GLU A 103 -16.518 12.879 -82.369 1.00 61.41 C ATOM 1666 CG GLU A 103 -15.593 13.702 -81.497 1.00 32.03 C ATOM 1667 CD GLU A 103 -14.149 13.512 -81.880 1.00 42.12 C ATOM 1668 OE1 GLU A 103 -13.718 14.096 -82.900 1.00 50.21 O ATOM 1669 OE2 GLU A 103 -13.423 12.785 -81.180 1.00 52.34 O ATOM 0 H GLU A 103 -17.810 11.820 -80.419 1.00 10.15 H new ATOM 0 HA GLU A 103 -18.228 14.128 -82.155 1.00 14.51 H new ATOM 0 HB2 GLU A 103 -16.266 11.825 -82.249 1.00 61.41 H new ATOM 0 HB3 GLU A 103 -16.334 13.134 -83.413 1.00 61.41 H new ATOM 0 HG2 GLU A 103 -15.856 14.756 -81.582 1.00 32.03 H new ATOM 0 HG3 GLU A 103 -15.732 13.422 -80.453 1.00 32.03 H new ATOM 1676 N LEU A 104 -19.539 12.973 -83.905 1.00 73.40 N ATOM 1677 CA LEU A 104 -20.338 12.321 -84.895 1.00 0.32 C ATOM 1678 C LEU A 104 -19.485 11.991 -86.100 1.00 1.10 C ATOM 1679 O LEU A 104 -19.330 12.800 -87.022 1.00 73.40 O ATOM 1680 CB LEU A 104 -21.562 13.162 -85.283 1.00 71.22 C ATOM 1681 CG LEU A 104 -22.513 13.536 -84.133 1.00 34.52 C ATOM 1682 CD1 LEU A 104 -23.691 14.347 -84.645 1.00 74.23 C ATOM 1683 CD2 LEU A 104 -22.998 12.292 -83.403 1.00 13.31 C ATOM 0 H LEU A 104 -19.585 13.992 -83.921 1.00 73.40 H new ATOM 0 HA LEU A 104 -20.722 11.392 -84.473 1.00 0.32 H new ATOM 0 HB2 LEU A 104 -21.213 14.081 -85.753 1.00 71.22 H new ATOM 0 HB3 LEU A 104 -22.130 12.615 -86.035 1.00 71.22 H new ATOM 0 HG LEU A 104 -21.957 14.152 -83.426 1.00 34.52 H new ATOM 0 HD11 LEU A 104 -24.348 14.599 -83.813 1.00 74.23 H new ATOM 0 HD12 LEU A 104 -23.327 15.263 -85.110 1.00 74.23 H new ATOM 0 HD13 LEU A 104 -24.244 13.762 -85.380 1.00 74.23 H new ATOM 0 HD21 LEU A 104 -23.669 12.583 -82.595 1.00 13.31 H new ATOM 0 HD22 LEU A 104 -23.530 11.645 -84.101 1.00 13.31 H new ATOM 0 HD23 LEU A 104 -22.143 11.756 -82.990 1.00 13.31 H new ATOM 1695 N ASP A 105 -18.863 10.846 -86.032 1.00 1.41 N ATOM 1696 CA ASP A 105 -18.010 10.351 -87.087 1.00 53.22 C ATOM 1697 C ASP A 105 -18.849 9.475 -87.985 1.00 25.55 C ATOM 1698 O ASP A 105 -18.911 9.680 -89.200 1.00 34.11 O ATOM 1699 CB ASP A 105 -16.849 9.545 -86.477 1.00 61.31 C ATOM 1700 CG ASP A 105 -15.856 9.056 -87.505 1.00 40.41 C ATOM 1701 OD1 ASP A 105 -14.899 9.802 -87.823 1.00 53.43 O ATOM 1702 OD2 ASP A 105 -16.005 7.936 -88.006 1.00 22.34 O ATOM 0 H ASP A 105 -18.933 10.218 -85.231 1.00 1.41 H new ATOM 0 HA ASP A 105 -17.586 11.174 -87.662 1.00 53.22 H new ATOM 0 HB2 ASP A 105 -16.330 10.165 -85.747 1.00 61.31 H new ATOM 0 HB3 ASP A 105 -17.254 8.689 -85.937 1.00 61.31 H new ATOM 1707 N THR A 106 -19.542 8.531 -87.342 1.00 23.13 N ATOM 1708 CA THR A 106 -20.488 7.586 -87.953 1.00 61.21 C ATOM 1709 C THR A 106 -19.889 6.689 -89.052 1.00 62.22 C ATOM 1710 O THR A 106 -18.778 6.909 -89.532 1.00 34.34 O ATOM 1711 CB THR A 106 -21.797 8.276 -88.450 1.00 45.44 C ATOM 1712 OG1 THR A 106 -21.513 9.295 -89.428 1.00 44.21 O ATOM 1713 CG2 THR A 106 -22.559 8.893 -87.283 1.00 23.41 C ATOM 0 H THR A 106 -19.457 8.397 -86.335 1.00 23.13 H new ATOM 0 HA THR A 106 -20.746 6.917 -87.132 1.00 61.21 H new ATOM 0 HB THR A 106 -22.413 7.506 -88.915 1.00 45.44 H new ATOM 0 HG1 THR A 106 -20.571 9.242 -89.692 1.00 44.21 H new ATOM 0 HG21 THR A 106 -23.468 9.368 -87.652 1.00 23.41 H new ATOM 0 HG22 THR A 106 -22.822 8.114 -86.568 1.00 23.41 H new ATOM 0 HG23 THR A 106 -21.933 9.639 -86.793 1.00 23.41 H new ATOM 1721 N SER A 107 -20.639 5.670 -89.438 1.00 4.23 N ATOM 1722 CA SER A 107 -20.225 4.766 -90.494 1.00 62.31 C ATOM 1723 C SER A 107 -20.265 5.472 -91.863 1.00 33.50 C ATOM 1724 O SER A 107 -19.654 5.004 -92.828 1.00 65.21 O ATOM 1725 CB SER A 107 -21.138 3.539 -90.503 1.00 70.54 C ATOM 1726 OG SER A 107 -21.159 2.900 -89.222 1.00 51.05 O ATOM 0 H SER A 107 -21.547 5.448 -89.030 1.00 4.23 H new ATOM 0 HA SER A 107 -19.199 4.451 -90.306 1.00 62.31 H new ATOM 0 HB2 SER A 107 -22.149 3.837 -90.780 1.00 70.54 H new ATOM 0 HB3 SER A 107 -20.795 2.833 -91.259 1.00 70.54 H new ATOM 0 HG SER A 107 -21.751 2.120 -89.255 1.00 51.05 H new ATOM 1732 N LEU A 108 -20.976 6.607 -91.913 1.00 14.51 N ATOM 1733 CA LEU A 108 -21.165 7.406 -93.118 1.00 4.34 C ATOM 1734 C LEU A 108 -21.991 6.654 -94.142 1.00 65.23 C ATOM 1735 O LEU A 108 -21.470 5.904 -94.975 1.00 50.20 O ATOM 1736 CB LEU A 108 -19.837 7.927 -93.717 1.00 31.33 C ATOM 1737 CG LEU A 108 -19.945 8.749 -95.012 1.00 52.32 C ATOM 1738 CD1 LEU A 108 -20.778 10.006 -94.809 1.00 41.11 C ATOM 1739 CD2 LEU A 108 -18.565 9.099 -95.541 1.00 3.05 C ATOM 0 H LEU A 108 -21.444 6.998 -91.095 1.00 14.51 H new ATOM 0 HA LEU A 108 -21.721 8.295 -92.821 1.00 4.34 H new ATOM 0 HB2 LEU A 108 -19.340 8.539 -92.964 1.00 31.33 H new ATOM 0 HB3 LEU A 108 -19.190 7.071 -93.909 1.00 31.33 H new ATOM 0 HG LEU A 108 -20.454 8.133 -95.753 1.00 52.32 H new ATOM 0 HD11 LEU A 108 -20.832 10.562 -95.745 1.00 41.11 H new ATOM 0 HD12 LEU A 108 -21.784 9.729 -94.493 1.00 41.11 H new ATOM 0 HD13 LEU A 108 -20.316 10.629 -94.044 1.00 41.11 H new ATOM 0 HD21 LEU A 108 -18.663 9.681 -96.458 1.00 3.05 H new ATOM 0 HD22 LEU A 108 -18.027 9.685 -94.795 1.00 3.05 H new ATOM 0 HD23 LEU A 108 -18.012 8.183 -95.750 1.00 3.05 H new ATOM 1751 N SER A 109 -23.274 6.796 -94.024 1.00 10.31 N ATOM 1752 CA SER A 109 -24.208 6.193 -94.924 1.00 2.31 C ATOM 1753 C SER A 109 -25.415 7.104 -95.047 1.00 60.41 C ATOM 1754 O SER A 109 -25.661 7.933 -94.162 1.00 31.24 O ATOM 1755 CB SER A 109 -24.637 4.819 -94.397 1.00 71.44 C ATOM 1756 OG SER A 109 -23.513 3.962 -94.215 1.00 51.13 O ATOM 0 H SER A 109 -23.711 7.346 -93.284 1.00 10.31 H new ATOM 0 HA SER A 109 -23.745 6.055 -95.901 1.00 2.31 H new ATOM 0 HB2 SER A 109 -25.164 4.938 -93.450 1.00 71.44 H new ATOM 0 HB3 SER A 109 -25.337 4.361 -95.096 1.00 71.44 H new ATOM 0 HG SER A 109 -23.815 3.093 -93.877 1.00 51.13 H new ATOM 1762 N TYR A 110 -26.138 6.974 -96.119 1.00 25.34 N ATOM 1763 CA TYR A 110 -27.311 7.764 -96.355 1.00 51.32 C ATOM 1764 C TYR A 110 -28.284 6.922 -97.148 1.00 52.00 C ATOM 1765 O TYR A 110 -27.866 6.157 -98.016 1.00 11.51 O ATOM 1766 CB TYR A 110 -26.934 9.042 -97.127 1.00 35.10 C ATOM 1767 CG TYR A 110 -28.084 9.987 -97.379 1.00 74.55 C ATOM 1768 CD1 TYR A 110 -28.482 10.896 -96.409 1.00 14.41 C ATOM 1769 CD2 TYR A 110 -28.776 9.965 -98.581 1.00 33.21 C ATOM 1770 CE1 TYR A 110 -29.533 11.759 -96.634 1.00 0.51 C ATOM 1771 CE2 TYR A 110 -29.823 10.822 -98.812 1.00 72.44 C ATOM 1772 CZ TYR A 110 -30.202 11.715 -97.837 1.00 51.43 C ATOM 1773 OH TYR A 110 -31.254 12.578 -98.069 1.00 11.35 O ATOM 0 H TYR A 110 -25.928 6.309 -96.863 1.00 25.34 H new ATOM 0 HA TYR A 110 -27.769 8.068 -95.414 1.00 51.32 H new ATOM 0 HB2 TYR A 110 -26.161 9.572 -96.571 1.00 35.10 H new ATOM 0 HB3 TYR A 110 -26.499 8.757 -98.085 1.00 35.10 H new ATOM 0 HD1 TYR A 110 -27.961 10.928 -95.464 1.00 14.41 H new ATOM 0 HD2 TYR A 110 -28.486 9.262 -99.348 1.00 33.21 H new ATOM 0 HE1 TYR A 110 -29.830 12.465 -95.872 1.00 0.51 H new ATOM 0 HE2 TYR A 110 -30.347 10.795 -99.756 1.00 72.44 H new ATOM 0 HH TYR A 110 -31.616 12.418 -98.965 1.00 11.35 H new ATOM 1783 N ILE A 111 -29.548 7.025 -96.849 1.00 65.34 N ATOM 1784 CA ILE A 111 -30.535 6.252 -97.547 1.00 60.14 C ATOM 1785 C ILE A 111 -31.794 7.092 -97.817 1.00 24.13 C ATOM 1786 O ILE A 111 -31.876 7.690 -98.903 1.00 37.86 O ATOM 1787 CB ILE A 111 -30.852 4.899 -96.807 1.00 54.31 C ATOM 1788 CG1 ILE A 111 -31.917 4.072 -97.546 1.00 53.24 C ATOM 1789 CG2 ILE A 111 -31.212 5.106 -95.339 1.00 61.14 C ATOM 1790 CD1 ILE A 111 -31.500 3.628 -98.935 1.00 44.32 C ATOM 1791 OXT ILE A 111 -32.682 7.186 -96.953 1.00 37.86 O ATOM 0 H ILE A 111 -29.920 7.639 -96.124 1.00 65.34 H new ATOM 0 HA ILE A 111 -30.122 5.972 -98.516 1.00 60.14 H new ATOM 0 HB ILE A 111 -29.929 4.319 -96.822 1.00 54.31 H new ATOM 0 HG12 ILE A 111 -32.156 3.191 -96.950 1.00 53.24 H new ATOM 0 HG13 ILE A 111 -32.831 4.661 -97.623 1.00 53.24 H new ATOM 0 HG21 ILE A 111 -31.421 4.142 -94.876 1.00 61.14 H new ATOM 0 HG22 ILE A 111 -30.378 5.583 -94.824 1.00 61.14 H new ATOM 0 HG23 ILE A 111 -32.094 5.742 -95.267 1.00 61.14 H new ATOM 0 HD11 ILE A 111 -32.305 3.051 -99.389 1.00 44.32 H new ATOM 0 HD12 ILE A 111 -31.290 4.504 -99.549 1.00 44.32 H new ATOM 0 HD13 ILE A 111 -30.605 3.010 -98.866 1.00 44.32 H new TER 1803 ILE A 111