USER MOD reduce.3.24.130724 H: found=0, std=0, add=975, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 971 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 61 ASN :FLIP amide:sc= -0.899! F(o=-12,f=-9.1!) USER MOD Set 1.2: A 66 THR OG1 : rot -143:sc= 0.646 USER MOD Set 1.3: A 87 MET CE :methyl 154:sc= -2.99 (180deg=-6.42!) USER MOD Set 1.4: A 93 MET CE :methyl -103:sc= -5.84! (180deg=-5.08!) USER MOD Single : A 1 GLY N :NH3+ -143:sc=-0.00452 (180deg=-0.549) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 180:sc=-0.00262 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 62:sc= 0.58 USER MOD Single : A 13 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.511) USER MOD Single : A 14 ASN : amide:sc= -0.244 K(o=-0.24,f=-2.8!) USER MOD Single : A 15 CYS SG : rot 180:sc= -0.0134 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0.0113 USER MOD Single : A 18 MET CE :methyl -133:sc= -1.57 (180deg=-4.46!) USER MOD Single : A 19 LYS NZ :NH3+ -163:sc= -0.0104 (180deg=-0.148) USER MOD Single : A 20 LYS NZ :NH3+ -164:sc= -0.0117 (180deg=-0.177) USER MOD Single : A 28 HIS : no HD1:sc= 1.09 K(o=1.1,f=-6.2!) USER MOD Single : A 32 TYR OH : rot 50:sc= -0.476 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HE2:sc= -0.942 K(o=-0.94,f=-2.4) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.0897 USER MOD Single : A 52 LYS NZ :NH3+ -124:sc= -0.468 (180deg=-2.28!) USER MOD Single : A 53 THR OG1 : rot 80:sc= 1.26 USER MOD Single : A 58 GLN : amide:sc= -0.021 X(o=-0.021,f=-0.37) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 168:sc= -0.0389 (180deg=-0.292) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -0.0618 K(o=-0.062,f=-1.7!) USER MOD Single : A 82 SER OG : rot 180:sc= 0.016 USER MOD Single : A 90 GLN : amide:sc= -0.425 X(o=-0.43,f=-0.013) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 139:sc= -1.36 (180deg=-4.37!) USER MOD Single : A 104 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.00689) USER MOD Single : A 106 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 GLN : amide:sc= -0.0174 K(o=-0.017,f=-1.2) USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 TYR OH : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.330 0.000 0.000 1.00 42.31 N ATOM 2 CA GLY A 1 2.071 0.001 -1.247 1.00 53.12 C ATOM 3 C GLY A 1 1.192 0.304 -2.444 1.00 15.32 C ATOM 4 O GLY A 1 0.842 -0.582 -3.224 1.00 30.13 O ATOM 0 H1 GLY A 1 1.919 0.407 0.754 1.00 42.31 H new ATOM 0 H2 GLY A 1 0.466 0.569 -0.109 1.00 42.31 H new ATOM 0 H3 GLY A 1 1.073 -0.976 0.250 1.00 42.31 H new ATOM 0 HA2 GLY A 1 2.870 0.740 -1.191 1.00 53.12 H new ATOM 0 HA3 GLY A 1 2.545 -0.971 -1.385 1.00 53.12 H new ATOM 8 N PRO A 2 0.821 1.583 -2.602 1.00 31.21 N ATOM 9 CA PRO A 2 -0.029 2.030 -3.709 1.00 52.14 C ATOM 10 C PRO A 2 0.692 1.972 -5.052 1.00 61.23 C ATOM 11 O PRO A 2 1.848 1.559 -5.130 1.00 11.13 O ATOM 12 CB PRO A 2 -0.359 3.479 -3.342 1.00 12.20 C ATOM 13 CG PRO A 2 0.769 3.915 -2.471 1.00 2.10 C ATOM 14 CD PRO A 2 1.201 2.692 -1.710 1.00 41.33 C ATOM 0 HA PRO A 2 -0.908 1.396 -3.829 1.00 52.14 H new ATOM 0 HB2 PRO A 2 -0.437 4.105 -4.231 1.00 12.20 H new ATOM 0 HB3 PRO A 2 -1.313 3.548 -2.819 1.00 12.20 H new ATOM 0 HG2 PRO A 2 1.590 4.314 -3.066 1.00 2.10 H new ATOM 0 HG3 PRO A 2 0.454 4.707 -1.791 1.00 2.10 H new ATOM 0 HD2 PRO A 2 2.273 2.700 -1.512 1.00 41.33 H new ATOM 0 HD3 PRO A 2 0.699 2.621 -0.745 1.00 41.33 H new ATOM 22 N GLY A 3 0.000 2.390 -6.108 1.00 13.22 N ATOM 23 CA GLY A 3 0.591 2.378 -7.434 1.00 45.42 C ATOM 24 C GLY A 3 -0.123 3.307 -8.395 1.00 62.35 C ATOM 25 O GLY A 3 -1.168 2.959 -8.945 1.00 22.31 O ATOM 0 H GLY A 3 -0.959 2.736 -6.069 1.00 13.22 H new ATOM 0 HA2 GLY A 3 1.639 2.668 -7.364 1.00 45.42 H new ATOM 0 HA3 GLY A 3 0.567 1.363 -7.830 1.00 45.42 H new ATOM 29 N SER A 4 0.441 4.494 -8.598 1.00 25.24 N ATOM 30 CA SER A 4 -0.152 5.478 -9.495 1.00 42.22 C ATOM 31 C SER A 4 -0.035 5.029 -10.948 1.00 24.33 C ATOM 32 O SER A 4 -1.001 5.094 -11.709 1.00 52.03 O ATOM 33 CB SER A 4 0.527 6.838 -9.314 1.00 72.23 C ATOM 34 OG SER A 4 -0.285 7.884 -9.818 1.00 52.43 O ATOM 0 H SER A 4 1.308 4.797 -8.153 1.00 25.24 H new ATOM 0 HA SER A 4 -1.209 5.570 -9.245 1.00 42.22 H new ATOM 0 HB2 SER A 4 0.731 7.009 -8.257 1.00 72.23 H new ATOM 0 HB3 SER A 4 1.488 6.839 -9.828 1.00 72.23 H new ATOM 0 HG SER A 4 0.170 8.742 -9.689 1.00 52.43 H new ATOM 40 N MET A 5 1.154 4.572 -11.326 1.00 41.54 N ATOM 41 CA MET A 5 1.398 4.110 -12.688 1.00 62.03 C ATOM 42 C MET A 5 0.645 2.813 -12.964 1.00 45.23 C ATOM 43 O MET A 5 0.070 2.212 -12.057 1.00 4.24 O ATOM 44 CB MET A 5 2.896 3.903 -12.919 1.00 51.55 C ATOM 45 CG MET A 5 3.658 5.196 -13.162 1.00 30.02 C ATOM 46 SD MET A 5 5.097 4.964 -14.223 1.00 52.10 S ATOM 47 CE MET A 5 6.315 4.420 -13.027 1.00 3.41 C ATOM 0 H MET A 5 1.964 4.512 -10.709 1.00 41.54 H new ATOM 0 HA MET A 5 1.035 4.874 -13.375 1.00 62.03 H new ATOM 0 HB2 MET A 5 3.322 3.397 -12.053 1.00 51.55 H new ATOM 0 HB3 MET A 5 3.035 3.242 -13.775 1.00 51.55 H new ATOM 0 HG2 MET A 5 2.990 5.927 -13.617 1.00 30.02 H new ATOM 0 HG3 MET A 5 3.979 5.609 -12.206 1.00 30.02 H new ATOM 0 HE1 MET A 5 7.263 4.235 -13.532 1.00 3.41 H new ATOM 0 HE2 MET A 5 6.452 5.192 -12.270 1.00 3.41 H new ATOM 0 HE3 MET A 5 5.972 3.501 -12.551 1.00 3.41 H new ATOM 57 N SER A 6 0.652 2.386 -14.223 1.00 44.34 N ATOM 58 CA SER A 6 -0.034 1.162 -14.620 1.00 64.43 C ATOM 59 C SER A 6 0.606 0.560 -15.867 1.00 62.14 C ATOM 60 O SER A 6 1.189 1.272 -16.685 1.00 73.31 O ATOM 61 CB SER A 6 -1.516 1.444 -14.879 1.00 31.11 C ATOM 62 OG SER A 6 -2.049 0.536 -15.827 1.00 14.24 O ATOM 0 H SER A 6 1.125 2.870 -14.986 1.00 44.34 H new ATOM 0 HA SER A 6 0.055 0.444 -13.805 1.00 64.43 H new ATOM 0 HB2 SER A 6 -2.073 1.368 -13.945 1.00 31.11 H new ATOM 0 HB3 SER A 6 -1.638 2.465 -15.240 1.00 31.11 H new ATOM 0 HG SER A 6 -2.997 0.736 -15.974 1.00 14.24 H new ATOM 68 N VAL A 7 0.493 -0.757 -16.005 1.00 10.34 N ATOM 69 CA VAL A 7 1.060 -1.457 -17.152 1.00 2.44 C ATOM 70 C VAL A 7 0.005 -1.692 -18.228 1.00 5.32 C ATOM 71 O VAL A 7 -1.120 -2.096 -17.933 1.00 24.25 O ATOM 72 CB VAL A 7 1.667 -2.811 -16.739 1.00 52.12 C ATOM 73 CG1 VAL A 7 2.244 -3.529 -17.950 1.00 54.24 C ATOM 74 CG2 VAL A 7 2.730 -2.614 -15.669 1.00 43.52 C ATOM 0 H VAL A 7 0.014 -1.361 -15.337 1.00 10.34 H new ATOM 0 HA VAL A 7 1.849 -0.821 -17.553 1.00 2.44 H new ATOM 0 HB VAL A 7 0.875 -3.433 -16.321 1.00 52.12 H new ATOM 0 HG11 VAL A 7 2.668 -4.484 -17.639 1.00 54.24 H new ATOM 0 HG12 VAL A 7 1.454 -3.704 -18.680 1.00 54.24 H new ATOM 0 HG13 VAL A 7 3.024 -2.915 -18.400 1.00 54.24 H new ATOM 0 HG21 VAL A 7 3.148 -3.581 -15.389 1.00 43.52 H new ATOM 0 HG22 VAL A 7 3.523 -1.974 -16.057 1.00 43.52 H new ATOM 0 HG23 VAL A 7 2.282 -2.145 -14.793 1.00 43.52 H new ATOM 84 N THR A 8 0.377 -1.436 -19.478 1.00 15.13 N ATOM 85 CA THR A 8 -0.537 -1.618 -20.599 1.00 55.12 C ATOM 86 C THR A 8 -0.099 -2.782 -21.481 1.00 32.31 C ATOM 87 O THR A 8 1.062 -2.867 -21.882 1.00 11.22 O ATOM 88 CB THR A 8 -0.631 -0.344 -21.460 1.00 32.32 C ATOM 89 OG1 THR A 8 -0.842 0.798 -20.623 1.00 2.03 O ATOM 90 CG2 THR A 8 -1.764 -0.456 -22.470 1.00 55.11 C ATOM 0 H THR A 8 1.305 -1.102 -19.740 1.00 15.13 H new ATOM 0 HA THR A 8 -1.518 -1.835 -20.176 1.00 55.12 H new ATOM 0 HB THR A 8 0.307 -0.228 -22.002 1.00 32.32 H new ATOM 0 HG1 THR A 8 -0.899 1.604 -21.178 1.00 2.03 H new ATOM 0 HG21 THR A 8 -1.811 0.455 -23.067 1.00 55.11 H new ATOM 0 HG22 THR A 8 -1.585 -1.309 -23.124 1.00 55.11 H new ATOM 0 HG23 THR A 8 -2.708 -0.594 -21.944 1.00 55.11 H new ATOM 98 N ILE A 9 -1.036 -3.677 -21.779 1.00 40.31 N ATOM 99 CA ILE A 9 -0.746 -4.835 -22.615 1.00 3.44 C ATOM 100 C ILE A 9 -1.516 -4.771 -23.930 1.00 62.44 C ATOM 101 O ILE A 9 -2.697 -4.423 -23.953 1.00 5.32 O ATOM 102 CB ILE A 9 -1.093 -6.151 -21.894 1.00 0.54 C ATOM 103 CG1 ILE A 9 -0.818 -7.347 -22.807 1.00 33.21 C ATOM 104 CG2 ILE A 9 -2.548 -6.142 -21.448 1.00 54.44 C ATOM 105 CD1 ILE A 9 -1.085 -8.683 -22.151 1.00 32.30 C ATOM 0 H ILE A 9 -2.001 -3.622 -21.454 1.00 40.31 H new ATOM 0 HA ILE A 9 0.324 -4.814 -22.822 1.00 3.44 H new ATOM 0 HB ILE A 9 -0.462 -6.241 -21.010 1.00 0.54 H new ATOM 0 HG12 ILE A 9 -1.436 -7.261 -23.701 1.00 33.21 H new ATOM 0 HG13 ILE A 9 0.221 -7.313 -23.133 1.00 33.21 H new ATOM 0 HG21 ILE A 9 -2.779 -7.078 -20.940 1.00 54.44 H new ATOM 0 HG22 ILE A 9 -2.714 -5.308 -20.766 1.00 54.44 H new ATOM 0 HG23 ILE A 9 -3.195 -6.033 -22.319 1.00 54.44 H new ATOM 0 HD11 ILE A 9 -0.868 -9.485 -22.857 1.00 32.30 H new ATOM 0 HD12 ILE A 9 -0.448 -8.791 -21.273 1.00 32.30 H new ATOM 0 HD13 ILE A 9 -2.131 -8.738 -21.850 1.00 32.30 H new ATOM 117 N TYR A 10 -0.840 -5.109 -25.022 1.00 4.54 N ATOM 118 CA TYR A 10 -1.460 -5.089 -26.341 1.00 30.24 C ATOM 119 C TYR A 10 -1.541 -6.496 -26.926 1.00 22.21 C ATOM 120 O TYR A 10 -0.769 -7.380 -26.557 1.00 41.11 O ATOM 121 CB TYR A 10 -0.673 -4.177 -27.284 1.00 22.32 C ATOM 122 CG TYR A 10 -0.663 -2.727 -26.856 1.00 34.41 C ATOM 123 CD1 TYR A 10 0.117 -2.303 -25.787 1.00 15.21 C ATOM 124 CD2 TYR A 10 -1.433 -1.781 -27.521 1.00 54.11 C ATOM 125 CE1 TYR A 10 0.128 -0.980 -25.391 1.00 22.30 C ATOM 126 CE2 TYR A 10 -1.426 -0.455 -27.133 1.00 20.31 C ATOM 127 CZ TYR A 10 -0.645 -0.059 -26.068 1.00 60.44 C ATOM 128 OH TYR A 10 -0.635 1.260 -25.678 1.00 41.33 O ATOM 0 H TYR A 10 0.138 -5.400 -25.020 1.00 4.54 H new ATOM 0 HA TYR A 10 -2.473 -4.701 -26.233 1.00 30.24 H new ATOM 0 HB2 TYR A 10 0.354 -4.535 -27.349 1.00 22.32 H new ATOM 0 HB3 TYR A 10 -1.099 -4.249 -28.285 1.00 22.32 H new ATOM 0 HD1 TYR A 10 0.725 -3.021 -25.257 1.00 15.21 H new ATOM 0 HD2 TYR A 10 -2.047 -2.087 -28.355 1.00 54.11 H new ATOM 0 HE1 TYR A 10 0.738 -0.668 -24.556 1.00 22.30 H new ATOM 0 HE2 TYR A 10 -2.030 0.268 -27.662 1.00 20.31 H new ATOM 0 HH TYR A 10 0.268 1.626 -25.785 1.00 41.33 H new ATOM 138 N GLY A 11 -2.484 -6.695 -27.843 1.00 41.24 N ATOM 139 CA GLY A 11 -2.650 -7.995 -28.466 1.00 3.41 C ATOM 140 C GLY A 11 -3.997 -8.146 -29.143 1.00 42.14 C ATOM 141 O GLY A 11 -4.480 -7.217 -29.792 1.00 61.14 O ATOM 0 H GLY A 11 -3.135 -5.979 -28.165 1.00 41.24 H new ATOM 0 HA2 GLY A 11 -1.859 -8.146 -29.200 1.00 3.41 H new ATOM 0 HA3 GLY A 11 -2.537 -8.773 -27.711 1.00 3.41 H new ATOM 145 N ILE A 12 -4.605 -9.318 -28.994 1.00 0.23 N ATOM 146 CA ILE A 12 -5.904 -9.586 -29.597 1.00 21.20 C ATOM 147 C ILE A 12 -6.852 -10.236 -28.595 1.00 0.25 C ATOM 148 O ILE A 12 -6.469 -10.531 -27.463 1.00 72.24 O ATOM 149 CB ILE A 12 -5.775 -10.500 -30.831 1.00 70.51 C ATOM 150 CG1 ILE A 12 -5.319 -11.899 -30.411 1.00 34.24 C ATOM 151 CG2 ILE A 12 -4.802 -9.899 -31.835 1.00 63.31 C ATOM 152 CD1 ILE A 12 -5.177 -12.861 -31.569 1.00 42.40 C ATOM 0 H ILE A 12 -4.219 -10.097 -28.461 1.00 0.23 H new ATOM 0 HA ILE A 12 -6.311 -8.624 -29.908 1.00 21.20 H new ATOM 0 HB ILE A 12 -6.752 -10.584 -31.307 1.00 70.51 H new ATOM 0 HG12 ILE A 12 -4.362 -11.821 -29.895 1.00 34.24 H new ATOM 0 HG13 ILE A 12 -6.034 -12.306 -29.696 1.00 34.24 H new ATOM 0 HG21 ILE A 12 -4.721 -10.556 -32.701 1.00 63.31 H new ATOM 0 HG22 ILE A 12 -5.165 -8.922 -32.153 1.00 63.31 H new ATOM 0 HG23 ILE A 12 -3.822 -9.789 -31.371 1.00 63.31 H new ATOM 0 HD11 ILE A 12 -4.851 -13.832 -31.197 1.00 42.40 H new ATOM 0 HD12 ILE A 12 -6.138 -12.969 -32.072 1.00 42.40 H new ATOM 0 HD13 ILE A 12 -4.440 -12.476 -32.274 1.00 42.40 H new ATOM 164 N LYS A 13 -8.091 -10.459 -29.019 1.00 73.52 N ATOM 165 CA LYS A 13 -9.095 -11.077 -28.161 1.00 71.53 C ATOM 166 C LYS A 13 -9.306 -12.540 -28.538 1.00 42.41 C ATOM 167 O LYS A 13 -9.713 -13.352 -27.708 1.00 70.40 O ATOM 168 CB LYS A 13 -10.419 -10.317 -28.261 1.00 10.01 C ATOM 169 CG LYS A 13 -11.519 -10.893 -27.385 1.00 12.21 C ATOM 170 CD LYS A 13 -12.655 -9.902 -27.193 1.00 11.45 C ATOM 171 CE LYS A 13 -13.648 -9.962 -28.343 1.00 71.10 C ATOM 172 NZ LYS A 13 -13.250 -9.070 -29.467 1.00 71.14 N ATOM 0 H LYS A 13 -8.424 -10.221 -29.953 1.00 73.52 H new ATOM 0 HA LYS A 13 -8.735 -11.033 -27.133 1.00 71.53 H new ATOM 0 HB2 LYS A 13 -10.253 -9.276 -27.983 1.00 10.01 H new ATOM 0 HB3 LYS A 13 -10.753 -10.321 -29.299 1.00 10.01 H new ATOM 0 HG2 LYS A 13 -11.905 -11.807 -27.837 1.00 12.21 H new ATOM 0 HG3 LYS A 13 -11.106 -11.167 -26.414 1.00 12.21 H new ATOM 0 HD2 LYS A 13 -13.169 -10.114 -26.256 1.00 11.45 H new ATOM 0 HD3 LYS A 13 -12.250 -8.893 -27.113 1.00 11.45 H new ATOM 0 HE2 LYS A 13 -13.725 -10.988 -28.703 1.00 71.10 H new ATOM 0 HE3 LYS A 13 -14.637 -9.675 -27.984 1.00 71.10 H new ATOM 0 HZ1 LYS A 13 -14.097 -8.776 -29.994 1.00 71.14 H new ATOM 0 HZ2 LYS A 13 -12.768 -8.229 -29.089 1.00 71.14 H new ATOM 0 HZ3 LYS A 13 -12.606 -9.581 -30.104 1.00 71.14 H new ATOM 186 N ASN A 14 -9.025 -12.869 -29.795 1.00 14.55 N ATOM 187 CA ASN A 14 -9.184 -14.235 -30.281 1.00 43.33 C ATOM 188 C ASN A 14 -7.891 -15.027 -30.110 1.00 4.54 C ATOM 189 O ASN A 14 -7.298 -15.485 -31.088 1.00 13.15 O ATOM 190 CB ASN A 14 -9.601 -14.230 -31.753 1.00 12.44 C ATOM 191 CG ASN A 14 -10.113 -15.581 -32.213 1.00 1.15 C ATOM 192 OD1 ASN A 14 -9.863 -16.603 -31.574 1.00 11.24 O ATOM 193 ND2 ASN A 14 -10.834 -15.591 -33.329 1.00 4.23 N ATOM 0 H ASN A 14 -8.686 -12.209 -30.495 1.00 14.55 H new ATOM 0 HA ASN A 14 -9.965 -14.715 -29.691 1.00 43.33 H new ATOM 0 HB2 ASN A 14 -10.376 -13.479 -31.906 1.00 12.44 H new ATOM 0 HB3 ASN A 14 -8.750 -13.938 -32.368 1.00 12.44 H new ATOM 0 HD21 ASN A 14 -11.205 -16.470 -33.689 1.00 4.23 H new ATOM 0 HD22 ASN A 14 -11.016 -14.719 -33.826 1.00 4.23 H new ATOM 200 N CYS A 15 -7.460 -15.184 -28.864 1.00 13.42 N ATOM 201 CA CYS A 15 -6.237 -15.920 -28.564 1.00 5.12 C ATOM 202 C CYS A 15 -6.252 -16.441 -27.131 1.00 45.42 C ATOM 203 O CYS A 15 -6.717 -15.759 -26.217 1.00 62.11 O ATOM 204 CB CYS A 15 -5.014 -15.028 -28.783 1.00 22.14 C ATOM 205 SG CYS A 15 -3.448 -15.790 -28.294 1.00 2.24 S ATOM 0 H CYS A 15 -7.939 -14.811 -28.044 1.00 13.42 H new ATOM 0 HA CYS A 15 -6.181 -16.773 -29.240 1.00 5.12 H new ATOM 0 HB2 CYS A 15 -4.960 -14.756 -29.837 1.00 22.14 H new ATOM 0 HB3 CYS A 15 -5.147 -14.103 -28.222 1.00 22.14 H new ATOM 0 HG CYS A 15 -2.473 -14.960 -28.519 1.00 2.24 H new ATOM 211 N ASP A 16 -5.743 -17.653 -26.942 1.00 14.03 N ATOM 212 CA ASP A 16 -5.698 -18.266 -25.619 1.00 11.23 C ATOM 213 C ASP A 16 -4.580 -17.660 -24.777 1.00 34.34 C ATOM 214 O ASP A 16 -4.768 -17.361 -23.597 1.00 45.12 O ATOM 215 CB ASP A 16 -5.501 -19.777 -25.741 1.00 50.21 C ATOM 216 CG ASP A 16 -4.384 -20.140 -26.700 1.00 54.43 C ATOM 217 OD1 ASP A 16 -3.208 -20.096 -26.284 1.00 34.04 O ATOM 218 OD2 ASP A 16 -4.687 -20.467 -27.867 1.00 34.14 O ATOM 0 H ASP A 16 -5.356 -18.231 -27.688 1.00 14.03 H new ATOM 0 HA ASP A 16 -6.648 -18.071 -25.122 1.00 11.23 H new ATOM 0 HB2 ASP A 16 -5.281 -20.192 -24.758 1.00 50.21 H new ATOM 0 HB3 ASP A 16 -6.430 -20.235 -26.080 1.00 50.21 H new ATOM 223 N THR A 17 -3.414 -17.482 -25.390 1.00 62.21 N ATOM 224 CA THR A 17 -2.265 -16.915 -24.697 1.00 10.24 C ATOM 225 C THR A 17 -2.629 -15.602 -24.012 1.00 43.54 C ATOM 226 O THR A 17 -2.315 -15.395 -22.840 1.00 32.13 O ATOM 227 CB THR A 17 -1.091 -16.668 -25.663 1.00 64.53 C ATOM 228 OG1 THR A 17 -0.958 -17.772 -26.565 1.00 51.14 O ATOM 229 CG2 THR A 17 0.209 -16.473 -24.898 1.00 13.05 C ATOM 0 H THR A 17 -3.241 -17.723 -26.366 1.00 62.21 H new ATOM 0 HA THR A 17 -1.960 -17.642 -23.945 1.00 10.24 H new ATOM 0 HB THR A 17 -1.301 -15.760 -26.228 1.00 64.53 H new ATOM 0 HG1 THR A 17 -0.211 -17.606 -27.177 1.00 51.14 H new ATOM 0 HG21 THR A 17 1.023 -16.300 -25.602 1.00 13.05 H new ATOM 0 HG22 THR A 17 0.115 -15.614 -24.234 1.00 13.05 H new ATOM 0 HG23 THR A 17 0.422 -17.365 -24.309 1.00 13.05 H new ATOM 237 N MET A 18 -3.293 -14.719 -24.750 1.00 61.22 N ATOM 238 CA MET A 18 -3.701 -13.427 -24.212 1.00 4.42 C ATOM 239 C MET A 18 -4.460 -13.600 -22.900 1.00 72.34 C ATOM 240 O MET A 18 -4.185 -12.912 -21.916 1.00 54.40 O ATOM 241 CB MET A 18 -4.573 -12.681 -25.224 1.00 41.43 C ATOM 242 CG MET A 18 -3.774 -11.910 -26.262 1.00 42.31 C ATOM 243 SD MET A 18 -2.881 -10.512 -25.553 1.00 61.21 S ATOM 244 CE MET A 18 -4.230 -9.579 -24.834 1.00 35.43 C ATOM 0 H MET A 18 -3.560 -14.875 -25.722 1.00 61.22 H new ATOM 0 HA MET A 18 -2.802 -12.842 -24.017 1.00 4.42 H new ATOM 0 HB2 MET A 18 -5.219 -13.397 -25.733 1.00 41.43 H new ATOM 0 HB3 MET A 18 -5.224 -11.988 -24.690 1.00 41.43 H new ATOM 0 HG2 MET A 18 -3.064 -12.584 -26.743 1.00 42.31 H new ATOM 0 HG3 MET A 18 -4.448 -11.549 -27.039 1.00 42.31 H new ATOM 0 HE1 MET A 18 -4.131 -8.528 -25.106 1.00 35.43 H new ATOM 0 HE2 MET A 18 -5.179 -9.963 -25.209 1.00 35.43 H new ATOM 0 HE3 MET A 18 -4.203 -9.677 -23.749 1.00 35.43 H new ATOM 254 N LYS A 19 -5.417 -14.522 -22.892 1.00 34.45 N ATOM 255 CA LYS A 19 -6.215 -14.786 -21.701 1.00 44.21 C ATOM 256 C LYS A 19 -5.332 -15.244 -20.544 1.00 43.12 C ATOM 257 O LYS A 19 -5.513 -14.817 -19.404 1.00 22.52 O ATOM 258 CB LYS A 19 -7.276 -15.849 -21.998 1.00 42.21 C ATOM 259 CG LYS A 19 -8.541 -15.693 -21.173 1.00 0.44 C ATOM 260 CD LYS A 19 -9.208 -17.034 -20.917 1.00 30.12 C ATOM 261 CE LYS A 19 -10.175 -17.397 -22.033 1.00 54.50 C ATOM 262 NZ LYS A 19 -11.412 -16.569 -21.987 1.00 12.14 N ATOM 0 H LYS A 19 -5.659 -15.099 -23.698 1.00 34.45 H new ATOM 0 HA LYS A 19 -6.709 -13.858 -21.413 1.00 44.21 H new ATOM 0 HB2 LYS A 19 -7.535 -15.806 -23.056 1.00 42.21 H new ATOM 0 HB3 LYS A 19 -6.851 -16.836 -21.813 1.00 42.21 H new ATOM 0 HG2 LYS A 19 -8.300 -15.218 -20.222 1.00 0.44 H new ATOM 0 HG3 LYS A 19 -9.236 -15.033 -21.692 1.00 0.44 H new ATOM 0 HD2 LYS A 19 -8.447 -17.809 -20.827 1.00 30.12 H new ATOM 0 HD3 LYS A 19 -9.742 -17.001 -19.968 1.00 30.12 H new ATOM 0 HE2 LYS A 19 -9.684 -17.263 -22.997 1.00 54.50 H new ATOM 0 HE3 LYS A 19 -10.441 -18.451 -21.955 1.00 54.50 H new ATOM 0 HZ1 LYS A 19 -12.154 -17.021 -22.559 1.00 12.14 H new ATOM 0 HZ2 LYS A 19 -11.737 -16.485 -21.003 1.00 12.14 H new ATOM 0 HZ3 LYS A 19 -11.210 -15.622 -22.367 1.00 12.14 H new ATOM 276 N LYS A 20 -4.375 -16.115 -20.846 1.00 34.44 N ATOM 277 CA LYS A 20 -3.461 -16.630 -19.832 1.00 13.54 C ATOM 278 C LYS A 20 -2.596 -15.511 -19.262 1.00 54.33 C ATOM 279 O LYS A 20 -2.235 -15.531 -18.086 1.00 71.32 O ATOM 280 CB LYS A 20 -2.572 -17.724 -20.427 1.00 51.40 C ATOM 281 CG LYS A 20 -3.341 -18.954 -20.879 1.00 41.13 C ATOM 282 CD LYS A 20 -3.745 -19.824 -19.701 1.00 21.45 C ATOM 283 CE LYS A 20 -4.905 -20.740 -20.057 1.00 33.50 C ATOM 284 NZ LYS A 20 -6.184 -19.989 -20.194 1.00 30.33 N ATOM 0 H LYS A 20 -4.212 -16.479 -21.785 1.00 34.44 H new ATOM 0 HA LYS A 20 -4.056 -17.054 -19.023 1.00 13.54 H new ATOM 0 HB2 LYS A 20 -2.026 -17.315 -21.277 1.00 51.40 H new ATOM 0 HB3 LYS A 20 -1.831 -18.021 -19.685 1.00 51.40 H new ATOM 0 HG2 LYS A 20 -4.231 -18.646 -21.427 1.00 41.13 H new ATOM 0 HG3 LYS A 20 -2.728 -19.535 -21.568 1.00 41.13 H new ATOM 0 HD2 LYS A 20 -2.892 -20.423 -19.380 1.00 21.45 H new ATOM 0 HD3 LYS A 20 -4.025 -19.191 -18.859 1.00 21.45 H new ATOM 0 HE2 LYS A 20 -4.686 -21.257 -20.991 1.00 33.50 H new ATOM 0 HE3 LYS A 20 -5.013 -21.504 -19.287 1.00 33.50 H new ATOM 0 HZ1 LYS A 20 -6.982 -20.655 -20.166 1.00 30.33 H new ATOM 0 HZ2 LYS A 20 -6.273 -19.309 -19.412 1.00 30.33 H new ATOM 0 HZ3 LYS A 20 -6.191 -19.478 -21.100 1.00 30.33 H new ATOM 298 N ALA A 21 -2.267 -14.535 -20.103 1.00 53.12 N ATOM 299 CA ALA A 21 -1.448 -13.407 -19.681 1.00 1.22 C ATOM 300 C ALA A 21 -2.222 -12.485 -18.745 1.00 43.50 C ATOM 301 O ALA A 21 -1.753 -12.154 -17.656 1.00 22.15 O ATOM 302 CB ALA A 21 -0.950 -12.633 -20.893 1.00 20.30 C ATOM 0 H ALA A 21 -2.556 -14.504 -21.081 1.00 53.12 H new ATOM 0 HA ALA A 21 -0.590 -13.799 -19.135 1.00 1.22 H new ATOM 0 HB1 ALA A 21 -0.339 -11.793 -20.562 1.00 20.30 H new ATOM 0 HB2 ALA A 21 -0.352 -13.290 -21.524 1.00 20.30 H new ATOM 0 HB3 ALA A 21 -1.802 -12.261 -21.462 1.00 20.30 H new ATOM 308 N ARG A 22 -3.410 -12.073 -19.176 1.00 25.34 N ATOM 309 CA ARG A 22 -4.248 -11.188 -18.377 1.00 62.34 C ATOM 310 C ARG A 22 -4.595 -11.831 -17.038 1.00 32.15 C ATOM 311 O ARG A 22 -4.608 -11.164 -16.003 1.00 70.51 O ATOM 312 CB ARG A 22 -5.530 -10.842 -19.136 1.00 44.13 C ATOM 313 CG ARG A 22 -6.328 -12.060 -19.572 1.00 55.33 C ATOM 314 CD ARG A 22 -7.570 -11.663 -20.354 1.00 32.33 C ATOM 315 NE ARG A 22 -8.478 -10.841 -19.559 1.00 60.44 N ATOM 316 CZ ARG A 22 -9.296 -11.333 -18.635 1.00 11.23 C ATOM 317 NH1 ARG A 22 -9.319 -12.636 -18.391 1.00 3.41 N ATOM 318 NH2 ARG A 22 -10.093 -10.521 -17.952 1.00 10.54 N ATOM 0 H ARG A 22 -3.814 -12.338 -20.074 1.00 25.34 H new ATOM 0 HA ARG A 22 -3.688 -10.272 -18.187 1.00 62.34 H new ATOM 0 HB2 ARG A 22 -6.158 -10.214 -18.504 1.00 44.13 H new ATOM 0 HB3 ARG A 22 -5.273 -10.253 -20.016 1.00 44.13 H new ATOM 0 HG2 ARG A 22 -5.701 -12.706 -20.187 1.00 55.33 H new ATOM 0 HG3 ARG A 22 -6.619 -12.639 -18.695 1.00 55.33 H new ATOM 0 HD2 ARG A 22 -7.275 -11.115 -21.249 1.00 32.33 H new ATOM 0 HD3 ARG A 22 -8.091 -12.561 -20.687 1.00 32.33 H new ATOM 0 HE ARG A 22 -8.485 -9.834 -19.722 1.00 60.44 H new ATOM 0 HH11 ARG A 22 -8.708 -13.264 -18.913 1.00 3.41 H new ATOM 0 HH12 ARG A 22 -9.948 -13.011 -17.681 1.00 3.41 H new ATOM 0 HH21 ARG A 22 -10.078 -9.518 -18.136 1.00 10.54 H new ATOM 0 HH22 ARG A 22 -10.721 -10.900 -17.243 1.00 10.54 H new ATOM 332 N ILE A 23 -4.877 -13.129 -17.066 1.00 34.41 N ATOM 333 CA ILE A 23 -5.224 -13.862 -15.854 1.00 74.45 C ATOM 334 C ILE A 23 -4.032 -13.955 -14.908 1.00 44.23 C ATOM 335 O ILE A 23 -4.133 -13.613 -13.730 1.00 42.13 O ATOM 336 CB ILE A 23 -5.721 -15.283 -16.178 1.00 2.43 C ATOM 337 CG1 ILE A 23 -7.020 -15.221 -16.984 1.00 24.30 C ATOM 338 CG2 ILE A 23 -5.923 -16.078 -14.897 1.00 3.12 C ATOM 339 CD1 ILE A 23 -7.289 -16.471 -17.793 1.00 52.43 C ATOM 0 H ILE A 23 -4.872 -13.695 -17.914 1.00 34.41 H new ATOM 0 HA ILE A 23 -6.027 -13.308 -15.369 1.00 74.45 H new ATOM 0 HB ILE A 23 -4.966 -15.788 -16.780 1.00 2.43 H new ATOM 0 HG12 ILE A 23 -7.854 -15.053 -16.302 1.00 24.30 H new ATOM 0 HG13 ILE A 23 -6.980 -14.364 -17.657 1.00 24.30 H new ATOM 0 HG21 ILE A 23 -6.274 -17.080 -15.142 1.00 3.12 H new ATOM 0 HG22 ILE A 23 -4.978 -16.147 -14.358 1.00 3.12 H new ATOM 0 HG23 ILE A 23 -6.662 -15.578 -14.271 1.00 3.12 H new ATOM 0 HD11 ILE A 23 -8.226 -16.357 -18.339 1.00 52.43 H new ATOM 0 HD12 ILE A 23 -6.474 -16.629 -18.500 1.00 52.43 H new ATOM 0 HD13 ILE A 23 -7.361 -17.329 -17.124 1.00 52.43 H new ATOM 351 N TRP A 24 -2.903 -14.419 -15.432 1.00 31.51 N ATOM 352 CA TRP A 24 -1.690 -14.556 -14.634 1.00 62.05 C ATOM 353 C TRP A 24 -1.332 -13.238 -13.958 1.00 74.25 C ATOM 354 O TRP A 24 -1.147 -13.183 -12.741 1.00 4.31 O ATOM 355 CB TRP A 24 -0.528 -15.026 -15.512 1.00 3.42 C ATOM 356 CG TRP A 24 0.570 -15.689 -14.738 1.00 50.22 C ATOM 357 CD1 TRP A 24 0.839 -17.027 -14.679 1.00 42.14 C ATOM 358 CD2 TRP A 24 1.546 -15.046 -13.911 1.00 0.54 C ATOM 359 NE1 TRP A 24 1.923 -17.254 -13.866 1.00 71.32 N ATOM 360 CE2 TRP A 24 2.375 -16.055 -13.383 1.00 44.32 C ATOM 361 CE3 TRP A 24 1.801 -13.716 -13.567 1.00 41.34 C ATOM 362 CZ2 TRP A 24 3.438 -15.773 -12.529 1.00 65.40 C ATOM 363 CZ3 TRP A 24 2.856 -13.437 -12.719 1.00 2.15 C ATOM 364 CH2 TRP A 24 3.665 -14.462 -12.209 1.00 64.41 C ATOM 0 H TRP A 24 -2.802 -14.707 -16.405 1.00 31.51 H new ATOM 0 HA TRP A 24 -1.876 -15.301 -13.860 1.00 62.05 H new ATOM 0 HB2 TRP A 24 -0.906 -15.722 -16.261 1.00 3.42 H new ATOM 0 HB3 TRP A 24 -0.119 -14.171 -16.049 1.00 3.42 H new ATOM 0 HD1 TRP A 24 0.281 -17.794 -15.196 1.00 42.14 H new ATOM 0 HE1 TRP A 24 2.326 -18.167 -13.656 1.00 71.32 H new ATOM 0 HE3 TRP A 24 1.184 -12.920 -13.957 1.00 41.34 H new ATOM 0 HZ2 TRP A 24 4.061 -16.561 -12.133 1.00 65.40 H new ATOM 0 HZ3 TRP A 24 3.061 -12.413 -12.445 1.00 2.15 H new ATOM 0 HH2 TRP A 24 4.484 -14.212 -11.550 1.00 64.41 H new ATOM 375 N LEU A 25 -1.235 -12.177 -14.752 1.00 11.33 N ATOM 376 CA LEU A 25 -0.899 -10.857 -14.229 1.00 44.32 C ATOM 377 C LEU A 25 -1.941 -10.391 -13.217 1.00 51.32 C ATOM 378 O LEU A 25 -1.599 -9.853 -12.165 1.00 43.22 O ATOM 379 CB LEU A 25 -0.793 -9.846 -15.372 1.00 70.24 C ATOM 380 CG LEU A 25 0.578 -9.727 -16.038 1.00 60.23 C ATOM 381 CD1 LEU A 25 1.574 -9.069 -15.096 1.00 21.14 C ATOM 382 CD2 LEU A 25 1.079 -11.096 -16.476 1.00 3.23 C ATOM 0 H LEU A 25 -1.384 -12.205 -15.761 1.00 11.33 H new ATOM 0 HA LEU A 25 0.064 -10.927 -13.724 1.00 44.32 H new ATOM 0 HB2 LEU A 25 -1.524 -10.113 -16.136 1.00 70.24 H new ATOM 0 HB3 LEU A 25 -1.075 -8.865 -14.990 1.00 70.24 H new ATOM 0 HG LEU A 25 0.477 -9.099 -16.923 1.00 60.23 H new ATOM 0 HD11 LEU A 25 2.544 -8.993 -15.587 1.00 21.14 H new ATOM 0 HD12 LEU A 25 1.221 -8.072 -14.833 1.00 21.14 H new ATOM 0 HD13 LEU A 25 1.671 -9.670 -14.192 1.00 21.14 H new ATOM 0 HD21 LEU A 25 2.056 -10.992 -16.948 1.00 3.23 H new ATOM 0 HD22 LEU A 25 1.164 -11.748 -15.606 1.00 3.23 H new ATOM 0 HD23 LEU A 25 0.377 -11.530 -17.188 1.00 3.23 H new ATOM 394 N GLU A 26 -3.212 -10.604 -13.543 1.00 61.23 N ATOM 395 CA GLU A 26 -4.303 -10.207 -12.661 1.00 64.31 C ATOM 396 C GLU A 26 -4.213 -10.934 -11.323 1.00 74.22 C ATOM 397 O GLU A 26 -4.440 -10.344 -10.266 1.00 53.23 O ATOM 398 CB GLU A 26 -5.653 -10.494 -13.321 1.00 32.45 C ATOM 399 CG GLU A 26 -6.117 -9.395 -14.261 1.00 31.13 C ATOM 400 CD GLU A 26 -7.335 -9.796 -15.071 1.00 44.21 C ATOM 401 OE1 GLU A 26 -8.169 -10.564 -14.548 1.00 61.24 O ATOM 402 OE2 GLU A 26 -7.454 -9.340 -16.228 1.00 13.03 O ATOM 0 H GLU A 26 -3.511 -11.049 -14.411 1.00 61.23 H new ATOM 0 HA GLU A 26 -4.217 -9.136 -12.479 1.00 64.31 H new ATOM 0 HB2 GLU A 26 -5.585 -11.430 -13.875 1.00 32.45 H new ATOM 0 HB3 GLU A 26 -6.404 -10.637 -12.544 1.00 32.45 H new ATOM 0 HG2 GLU A 26 -6.348 -8.501 -13.682 1.00 31.13 H new ATOM 0 HG3 GLU A 26 -5.304 -9.135 -14.939 1.00 31.13 H new ATOM 409 N ASP A 27 -3.881 -12.220 -11.376 1.00 34.31 N ATOM 410 CA ASP A 27 -3.761 -13.029 -10.169 1.00 72.41 C ATOM 411 C ASP A 27 -2.577 -12.571 -9.324 1.00 33.14 C ATOM 412 O ASP A 27 -2.661 -12.516 -8.096 1.00 3.11 O ATOM 413 CB ASP A 27 -3.603 -14.506 -10.534 1.00 42.32 C ATOM 414 CG ASP A 27 -3.334 -15.376 -9.322 1.00 63.52 C ATOM 415 OD1 ASP A 27 -3.658 -14.942 -8.196 1.00 71.12 O ATOM 416 OD2 ASP A 27 -2.801 -16.491 -9.498 1.00 45.10 O ATOM 0 H ASP A 27 -3.690 -12.724 -12.242 1.00 34.31 H new ATOM 0 HA ASP A 27 -4.672 -12.903 -9.584 1.00 72.41 H new ATOM 0 HB2 ASP A 27 -4.508 -14.853 -11.033 1.00 42.32 H new ATOM 0 HB3 ASP A 27 -2.785 -14.616 -11.245 1.00 42.32 H new ATOM 421 N HIS A 28 -1.472 -12.245 -9.988 1.00 21.13 N ATOM 422 CA HIS A 28 -0.270 -11.793 -9.298 1.00 13.54 C ATOM 423 C HIS A 28 -0.531 -10.489 -8.550 1.00 43.42 C ATOM 424 O HIS A 28 0.235 -10.103 -7.669 1.00 0.32 O ATOM 425 CB HIS A 28 0.875 -11.603 -10.294 1.00 14.43 C ATOM 426 CG HIS A 28 2.197 -11.339 -9.642 1.00 55.54 C ATOM 427 ND1 HIS A 28 2.581 -10.091 -9.197 1.00 12.03 N ATOM 428 CD2 HIS A 28 3.227 -12.171 -9.361 1.00 71.45 C ATOM 429 CE1 HIS A 28 3.791 -10.167 -8.671 1.00 24.52 C ATOM 430 NE2 HIS A 28 4.205 -11.418 -8.758 1.00 21.13 N ATOM 0 H HIS A 28 -1.385 -12.286 -11.003 1.00 21.13 H new ATOM 0 HA HIS A 28 0.012 -12.557 -8.573 1.00 13.54 H new ATOM 0 HB2 HIS A 28 0.957 -12.495 -10.915 1.00 14.43 H new ATOM 0 HB3 HIS A 28 0.634 -10.773 -10.958 1.00 14.43 H new ATOM 0 HD2 HIS A 28 3.272 -13.229 -9.572 1.00 71.45 H new ATOM 0 HE1 HIS A 28 4.347 -9.346 -8.243 1.00 24.52 H new ATOM 0 HE2 HIS A 28 5.105 -11.768 -8.430 1.00 21.13 H new ATOM 438 N GLY A 29 -1.619 -9.813 -8.910 1.00 43.32 N ATOM 439 CA GLY A 29 -1.961 -8.560 -8.264 1.00 61.30 C ATOM 440 C GLY A 29 -1.534 -7.353 -9.076 1.00 13.24 C ATOM 441 O GLY A 29 -1.418 -6.248 -8.545 1.00 52.32 O ATOM 0 H GLY A 29 -2.269 -10.111 -9.637 1.00 43.32 H new ATOM 0 HA2 GLY A 29 -3.038 -8.521 -8.100 1.00 61.30 H new ATOM 0 HA3 GLY A 29 -1.488 -8.520 -7.283 1.00 61.30 H new ATOM 445 N ILE A 30 -1.298 -7.565 -10.366 1.00 54.44 N ATOM 446 CA ILE A 30 -0.880 -6.486 -11.253 1.00 74.22 C ATOM 447 C ILE A 30 -2.008 -6.082 -12.196 1.00 61.31 C ATOM 448 O ILE A 30 -2.741 -6.931 -12.704 1.00 14.22 O ATOM 449 CB ILE A 30 0.352 -6.886 -12.086 1.00 33.02 C ATOM 450 CG1 ILE A 30 1.456 -7.428 -11.175 1.00 74.32 C ATOM 451 CG2 ILE A 30 0.857 -5.697 -12.889 1.00 52.12 C ATOM 452 CD1 ILE A 30 2.646 -7.976 -11.930 1.00 25.45 C ATOM 0 H ILE A 30 -1.389 -8.474 -10.820 1.00 54.44 H new ATOM 0 HA ILE A 30 -0.619 -5.639 -10.618 1.00 74.22 H new ATOM 0 HB ILE A 30 0.062 -7.673 -12.782 1.00 33.02 H new ATOM 0 HG12 ILE A 30 1.792 -6.631 -10.511 1.00 74.32 H new ATOM 0 HG13 ILE A 30 1.042 -8.215 -10.544 1.00 74.32 H new ATOM 0 HG21 ILE A 30 1.728 -5.996 -13.472 1.00 52.12 H new ATOM 0 HG22 ILE A 30 0.071 -5.352 -13.561 1.00 52.12 H new ATOM 0 HG23 ILE A 30 1.134 -4.891 -12.210 1.00 52.12 H new ATOM 0 HD11 ILE A 30 3.389 -8.343 -11.222 1.00 25.45 H new ATOM 0 HD12 ILE A 30 2.323 -8.794 -12.573 1.00 25.45 H new ATOM 0 HD13 ILE A 30 3.085 -7.186 -12.540 1.00 25.45 H new ATOM 464 N ASP A 31 -2.141 -4.781 -12.428 1.00 75.12 N ATOM 465 CA ASP A 31 -3.178 -4.263 -13.313 1.00 21.24 C ATOM 466 C ASP A 31 -2.646 -4.093 -14.732 1.00 75.12 C ATOM 467 O ASP A 31 -1.739 -3.296 -14.974 1.00 63.43 O ATOM 468 CB ASP A 31 -3.706 -2.927 -12.789 1.00 24.41 C ATOM 469 CG ASP A 31 -4.838 -3.101 -11.795 1.00 12.42 C ATOM 470 OD1 ASP A 31 -4.563 -3.509 -10.648 1.00 60.30 O ATOM 471 OD2 ASP A 31 -6.000 -2.831 -12.166 1.00 24.32 O ATOM 0 H ASP A 31 -1.543 -4.065 -12.015 1.00 75.12 H new ATOM 0 HA ASP A 31 -3.995 -4.984 -13.335 1.00 21.24 H new ATOM 0 HB2 ASP A 31 -2.892 -2.379 -12.315 1.00 24.41 H new ATOM 0 HB3 ASP A 31 -4.052 -2.323 -13.627 1.00 24.41 H new ATOM 476 N TYR A 32 -3.214 -4.846 -15.667 1.00 1.34 N ATOM 477 CA TYR A 32 -2.795 -4.781 -17.061 1.00 14.55 C ATOM 478 C TYR A 32 -3.939 -4.310 -17.953 1.00 23.04 C ATOM 479 O TYR A 32 -5.041 -4.859 -17.913 1.00 43.04 O ATOM 480 CB TYR A 32 -2.297 -6.149 -17.531 1.00 44.01 C ATOM 481 CG TYR A 32 -0.799 -6.319 -17.422 1.00 2.43 C ATOM 482 CD1 TYR A 32 -0.109 -5.872 -16.302 1.00 2.21 C ATOM 483 CD2 TYR A 32 -0.073 -6.926 -18.439 1.00 41.42 C ATOM 484 CE1 TYR A 32 1.260 -6.024 -16.198 1.00 1.10 C ATOM 485 CE2 TYR A 32 1.296 -7.083 -18.344 1.00 0.12 C ATOM 486 CZ TYR A 32 1.958 -6.631 -17.221 1.00 70.01 C ATOM 487 OH TYR A 32 3.322 -6.785 -17.123 1.00 34.31 O ATOM 0 H TYR A 32 -3.967 -5.509 -15.484 1.00 1.34 H new ATOM 0 HA TYR A 32 -1.981 -4.060 -17.135 1.00 14.55 H new ATOM 0 HB2 TYR A 32 -2.786 -6.926 -16.943 1.00 44.01 H new ATOM 0 HB3 TYR A 32 -2.596 -6.298 -18.568 1.00 44.01 H new ATOM 0 HD1 TYR A 32 -0.653 -5.397 -15.499 1.00 2.21 H new ATOM 0 HD2 TYR A 32 -0.588 -7.281 -19.319 1.00 41.42 H new ATOM 0 HE1 TYR A 32 1.781 -5.670 -15.321 1.00 1.10 H new ATOM 0 HE2 TYR A 32 1.845 -7.557 -19.144 1.00 0.12 H new ATOM 0 HH TYR A 32 3.544 -7.187 -16.257 1.00 34.31 H new ATOM 497 N THR A 33 -3.670 -3.288 -18.760 1.00 12.42 N ATOM 498 CA THR A 33 -4.675 -2.742 -19.663 1.00 70.00 C ATOM 499 C THR A 33 -4.731 -3.530 -20.966 1.00 44.51 C ATOM 500 O THR A 33 -3.775 -3.535 -21.742 1.00 22.54 O ATOM 501 CB THR A 33 -4.397 -1.261 -19.983 1.00 0.30 C ATOM 502 OG1 THR A 33 -4.264 -0.514 -18.768 1.00 62.20 O ATOM 503 CG2 THR A 33 -5.516 -0.670 -20.827 1.00 52.41 C ATOM 0 H THR A 33 -2.764 -2.822 -18.806 1.00 12.42 H new ATOM 0 HA THR A 33 -5.635 -2.822 -19.153 1.00 70.00 H new ATOM 0 HB THR A 33 -3.467 -1.203 -20.549 1.00 0.30 H new ATOM 0 HG1 THR A 33 -4.086 0.426 -18.980 1.00 62.20 H new ATOM 0 HG21 THR A 33 -5.297 0.376 -21.040 1.00 52.41 H new ATOM 0 HG22 THR A 33 -5.596 -1.222 -21.763 1.00 52.41 H new ATOM 0 HG23 THR A 33 -6.458 -0.740 -20.283 1.00 52.41 H new ATOM 511 N PHE A 34 -5.857 -4.195 -21.202 1.00 20.02 N ATOM 512 CA PHE A 34 -6.037 -4.987 -22.413 1.00 51.35 C ATOM 513 C PHE A 34 -6.329 -4.089 -23.612 1.00 63.42 C ATOM 514 O PHE A 34 -7.357 -3.414 -23.661 1.00 51.44 O ATOM 515 CB PHE A 34 -7.175 -5.992 -22.226 1.00 74.40 C ATOM 516 CG PHE A 34 -7.550 -6.716 -23.487 1.00 73.23 C ATOM 517 CD1 PHE A 34 -6.573 -7.243 -24.316 1.00 15.04 C ATOM 518 CD2 PHE A 34 -8.880 -6.868 -23.846 1.00 54.34 C ATOM 519 CE1 PHE A 34 -6.914 -7.910 -25.477 1.00 11.43 C ATOM 520 CE2 PHE A 34 -9.227 -7.535 -25.006 1.00 31.14 C ATOM 521 CZ PHE A 34 -8.243 -8.055 -25.823 1.00 71.33 C ATOM 0 H PHE A 34 -6.658 -4.201 -20.571 1.00 20.02 H new ATOM 0 HA PHE A 34 -5.111 -5.529 -22.604 1.00 51.35 H new ATOM 0 HB2 PHE A 34 -6.884 -6.722 -21.471 1.00 74.40 H new ATOM 0 HB3 PHE A 34 -8.051 -5.469 -21.843 1.00 74.40 H new ATOM 0 HD1 PHE A 34 -5.532 -7.131 -24.051 1.00 15.04 H new ATOM 0 HD2 PHE A 34 -9.654 -6.461 -23.212 1.00 54.34 H new ATOM 0 HE1 PHE A 34 -6.142 -8.317 -26.113 1.00 11.43 H new ATOM 0 HE2 PHE A 34 -10.267 -7.649 -25.273 1.00 31.14 H new ATOM 0 HZ PHE A 34 -8.512 -8.574 -26.731 1.00 71.33 H new ATOM 531 N HIS A 35 -5.416 -4.088 -24.579 1.00 30.12 N ATOM 532 CA HIS A 35 -5.574 -3.273 -25.778 1.00 4.21 C ATOM 533 C HIS A 35 -5.494 -4.136 -27.035 1.00 71.42 C ATOM 534 O HIS A 35 -4.512 -4.845 -27.251 1.00 23.35 O ATOM 535 CB HIS A 35 -4.504 -2.183 -25.825 1.00 32.13 C ATOM 536 CG HIS A 35 -5.013 -0.864 -26.321 1.00 2.30 C ATOM 537 ND1 HIS A 35 -4.331 0.321 -26.143 1.00 73.35 N ATOM 538 CD2 HIS A 35 -6.144 -0.549 -26.994 1.00 54.12 C ATOM 539 CE1 HIS A 35 -5.021 1.309 -26.683 1.00 51.22 C ATOM 540 NE2 HIS A 35 -6.125 0.808 -27.207 1.00 32.22 N ATOM 0 H HIS A 35 -4.560 -4.642 -24.555 1.00 30.12 H new ATOM 0 HA HIS A 35 -6.557 -2.804 -25.742 1.00 4.21 H new ATOM 0 HB2 HIS A 35 -4.088 -2.050 -24.826 1.00 32.13 H new ATOM 0 HB3 HIS A 35 -3.689 -2.514 -26.468 1.00 32.13 H new ATOM 0 HD1 HIS A 35 -3.434 0.419 -25.668 1.00 73.35 H new ATOM 0 HD2 HIS A 35 -6.917 -1.236 -27.305 1.00 54.12 H new ATOM 0 HE1 HIS A 35 -4.732 2.350 -26.694 1.00 51.22 H new ATOM 548 N ASP A 36 -6.534 -4.069 -27.859 1.00 25.23 N ATOM 549 CA ASP A 36 -6.581 -4.844 -29.094 1.00 42.21 C ATOM 550 C ASP A 36 -5.878 -4.103 -30.227 1.00 1.23 C ATOM 551 O ASP A 36 -5.903 -2.874 -30.288 1.00 31.51 O ATOM 552 CB ASP A 36 -8.031 -5.137 -29.482 1.00 24.32 C ATOM 553 CG ASP A 36 -8.158 -6.362 -30.365 1.00 34.45 C ATOM 554 OD1 ASP A 36 -8.088 -6.211 -31.603 1.00 21.31 O ATOM 555 OD2 ASP A 36 -8.327 -7.473 -29.820 1.00 70.42 O ATOM 0 H ASP A 36 -7.355 -3.487 -27.695 1.00 25.23 H new ATOM 0 HA ASP A 36 -6.061 -5.787 -28.923 1.00 42.21 H new ATOM 0 HB2 ASP A 36 -8.624 -5.281 -28.579 1.00 24.32 H new ATOM 0 HB3 ASP A 36 -8.447 -4.274 -30.002 1.00 24.32 H new ATOM 560 N TYR A 37 -5.251 -4.859 -31.121 1.00 30.14 N ATOM 561 CA TYR A 37 -4.538 -4.274 -32.251 1.00 33.02 C ATOM 562 C TYR A 37 -5.429 -3.295 -33.010 1.00 52.25 C ATOM 563 O TYR A 37 -4.973 -2.246 -33.465 1.00 44.22 O ATOM 564 CB TYR A 37 -4.048 -5.373 -33.195 1.00 4.33 C ATOM 565 CG TYR A 37 -5.166 -6.156 -33.845 1.00 34.33 C ATOM 566 CD1 TYR A 37 -5.817 -7.174 -33.160 1.00 74.22 C ATOM 567 CD2 TYR A 37 -5.571 -5.878 -35.145 1.00 30.14 C ATOM 568 CE1 TYR A 37 -6.838 -7.893 -33.750 1.00 34.11 C ATOM 569 CE2 TYR A 37 -6.592 -6.591 -35.742 1.00 74.45 C ATOM 570 CZ TYR A 37 -7.223 -7.597 -35.041 1.00 12.12 C ATOM 571 OH TYR A 37 -8.240 -8.310 -35.633 1.00 41.03 O ATOM 0 H TYR A 37 -5.222 -5.878 -31.086 1.00 30.14 H new ATOM 0 HA TYR A 37 -3.678 -3.728 -31.863 1.00 33.02 H new ATOM 0 HB2 TYR A 37 -3.431 -4.924 -33.973 1.00 4.33 H new ATOM 0 HB3 TYR A 37 -3.410 -6.060 -32.639 1.00 4.33 H new ATOM 0 HD1 TYR A 37 -5.520 -7.407 -32.148 1.00 74.22 H new ATOM 0 HD2 TYR A 37 -5.079 -5.091 -35.698 1.00 30.14 H new ATOM 0 HE1 TYR A 37 -7.332 -8.683 -33.204 1.00 34.11 H new ATOM 0 HE2 TYR A 37 -6.895 -6.362 -36.753 1.00 74.45 H new ATOM 0 HH TYR A 37 -8.388 -7.975 -36.542 1.00 41.03 H new ATOM 581 N LYS A 38 -6.704 -3.646 -33.142 1.00 0.11 N ATOM 582 CA LYS A 38 -7.662 -2.800 -33.843 1.00 54.34 C ATOM 583 C LYS A 38 -8.214 -1.721 -32.918 1.00 63.30 C ATOM 584 O LYS A 38 -8.563 -0.626 -33.361 1.00 51.11 O ATOM 585 CB LYS A 38 -8.809 -3.646 -34.400 1.00 63.31 C ATOM 586 CG LYS A 38 -8.667 -3.967 -35.877 1.00 54.42 C ATOM 587 CD LYS A 38 -9.349 -2.920 -36.743 1.00 63.40 C ATOM 588 CE LYS A 38 -10.808 -3.270 -36.995 1.00 74.30 C ATOM 589 NZ LYS A 38 -10.958 -4.262 -38.095 1.00 30.43 N ATOM 0 H LYS A 38 -7.098 -4.511 -32.772 1.00 0.11 H new ATOM 0 HA LYS A 38 -7.143 -2.314 -34.669 1.00 54.34 H new ATOM 0 HB2 LYS A 38 -8.867 -4.578 -33.838 1.00 63.31 H new ATOM 0 HB3 LYS A 38 -9.749 -3.118 -34.240 1.00 63.31 H new ATOM 0 HG2 LYS A 38 -7.610 -4.024 -36.138 1.00 54.42 H new ATOM 0 HG3 LYS A 38 -9.099 -4.947 -36.081 1.00 54.42 H new ATOM 0 HD2 LYS A 38 -9.286 -1.947 -36.257 1.00 63.40 H new ATOM 0 HD3 LYS A 38 -8.824 -2.835 -37.695 1.00 63.40 H new ATOM 0 HE2 LYS A 38 -11.248 -3.671 -36.082 1.00 74.30 H new ATOM 0 HE3 LYS A 38 -11.361 -2.364 -37.245 1.00 74.30 H new ATOM 0 HZ1 LYS A 38 -11.966 -4.474 -38.236 1.00 30.43 H new ATOM 0 HZ2 LYS A 38 -10.561 -3.870 -38.973 1.00 30.43 H new ATOM 0 HZ3 LYS A 38 -10.452 -5.136 -37.846 1.00 30.43 H new ATOM 603 N LYS A 39 -8.291 -2.035 -31.629 1.00 13.11 N ATOM 604 CA LYS A 39 -8.798 -1.092 -30.639 1.00 43.13 C ATOM 605 C LYS A 39 -7.911 0.147 -30.563 1.00 2.14 C ATOM 606 O LYS A 39 -8.403 1.274 -30.576 1.00 41.33 O ATOM 607 CB LYS A 39 -8.880 -1.759 -29.264 1.00 74.40 C ATOM 608 CG LYS A 39 -9.564 -0.902 -28.213 1.00 14.42 C ATOM 609 CD LYS A 39 -9.862 -1.698 -26.953 1.00 32.52 C ATOM 610 CE LYS A 39 -10.369 -0.801 -25.834 1.00 13.12 C ATOM 611 NZ LYS A 39 -10.986 -1.586 -24.730 1.00 4.24 N ATOM 0 H LYS A 39 -8.008 -2.937 -31.245 1.00 13.11 H new ATOM 0 HA LYS A 39 -9.797 -0.783 -30.946 1.00 43.13 H new ATOM 0 HB2 LYS A 39 -9.418 -2.702 -29.358 1.00 74.40 H new ATOM 0 HB3 LYS A 39 -7.872 -2.000 -28.925 1.00 74.40 H new ATOM 0 HG2 LYS A 39 -8.929 -0.052 -27.966 1.00 14.42 H new ATOM 0 HG3 LYS A 39 -10.492 -0.499 -28.618 1.00 14.42 H new ATOM 0 HD2 LYS A 39 -10.606 -2.464 -27.172 1.00 32.52 H new ATOM 0 HD3 LYS A 39 -8.960 -2.215 -26.626 1.00 32.52 H new ATOM 0 HE2 LYS A 39 -9.543 -0.209 -25.441 1.00 13.12 H new ATOM 0 HE3 LYS A 39 -11.101 -0.100 -26.234 1.00 13.12 H new ATOM 0 HZ1 LYS A 39 -11.319 -0.938 -23.987 1.00 4.24 H new ATOM 0 HZ2 LYS A 39 -11.791 -2.132 -25.100 1.00 4.24 H new ATOM 0 HZ3 LYS A 39 -10.280 -2.237 -24.331 1.00 4.24 H new ATOM 625 N GLU A 40 -6.602 -0.072 -30.486 1.00 43.23 N ATOM 626 CA GLU A 40 -5.648 1.028 -30.409 1.00 30.23 C ATOM 627 C GLU A 40 -5.551 1.759 -31.745 1.00 71.01 C ATOM 628 O GLU A 40 -5.189 2.933 -31.797 1.00 70.35 O ATOM 629 CB GLU A 40 -4.268 0.508 -29.998 1.00 33.12 C ATOM 630 CG GLU A 40 -3.683 -0.500 -30.974 1.00 71.13 C ATOM 631 CD GLU A 40 -2.297 -0.965 -30.570 1.00 51.30 C ATOM 632 OE1 GLU A 40 -1.510 -0.129 -30.080 1.00 43.15 O ATOM 633 OE2 GLU A 40 -2.000 -2.165 -30.746 1.00 11.55 O ATOM 0 H GLU A 40 -6.179 -1.000 -30.475 1.00 43.23 H new ATOM 0 HA GLU A 40 -6.003 1.731 -29.655 1.00 30.23 H new ATOM 0 HB2 GLU A 40 -3.584 1.351 -29.906 1.00 33.12 H new ATOM 0 HB3 GLU A 40 -4.341 0.047 -29.013 1.00 33.12 H new ATOM 0 HG2 GLU A 40 -4.346 -1.362 -31.041 1.00 71.13 H new ATOM 0 HG3 GLU A 40 -3.638 -0.054 -31.968 1.00 71.13 H new ATOM 640 N GLY A 41 -5.877 1.054 -32.824 1.00 12.45 N ATOM 641 CA GLY A 41 -5.820 1.651 -34.145 1.00 0.44 C ATOM 642 C GLY A 41 -4.453 1.511 -34.786 1.00 54.13 C ATOM 643 O GLY A 41 -3.554 2.313 -34.530 1.00 32.21 O ATOM 0 H GLY A 41 -6.180 0.080 -32.807 1.00 12.45 H new ATOM 0 HA2 GLY A 41 -6.568 1.182 -34.785 1.00 0.44 H new ATOM 0 HA3 GLY A 41 -6.078 2.708 -34.074 1.00 0.44 H new ATOM 647 N LEU A 42 -4.295 0.489 -35.620 1.00 61.22 N ATOM 648 CA LEU A 42 -3.026 0.246 -36.299 1.00 32.11 C ATOM 649 C LEU A 42 -2.888 1.134 -37.531 1.00 60.11 C ATOM 650 O LEU A 42 -3.732 1.105 -38.427 1.00 61.12 O ATOM 651 CB LEU A 42 -2.916 -1.226 -36.702 1.00 31.00 C ATOM 652 CG LEU A 42 -1.510 -1.826 -36.672 1.00 10.43 C ATOM 653 CD1 LEU A 42 -0.607 -1.123 -37.673 1.00 61.11 C ATOM 654 CD2 LEU A 42 -0.923 -1.741 -35.270 1.00 25.43 C ATOM 0 H LEU A 42 -5.028 -0.184 -35.842 1.00 61.22 H new ATOM 0 HA LEU A 42 -2.219 0.489 -35.607 1.00 32.11 H new ATOM 0 HB2 LEU A 42 -3.554 -1.812 -36.040 1.00 31.00 H new ATOM 0 HB3 LEU A 42 -3.315 -1.337 -37.710 1.00 31.00 H new ATOM 0 HG LEU A 42 -1.579 -2.877 -36.952 1.00 10.43 H new ATOM 0 HD11 LEU A 42 0.389 -1.564 -37.637 1.00 61.11 H new ATOM 0 HD12 LEU A 42 -1.018 -1.237 -38.676 1.00 61.11 H new ATOM 0 HD13 LEU A 42 -0.544 -0.064 -37.425 1.00 61.11 H new ATOM 0 HD21 LEU A 42 0.078 -2.173 -35.268 1.00 25.43 H new ATOM 0 HD22 LEU A 42 -0.869 -0.697 -34.961 1.00 25.43 H new ATOM 0 HD23 LEU A 42 -1.557 -2.292 -34.576 1.00 25.43 H new ATOM 666 N ASP A 43 -1.819 1.921 -37.569 1.00 24.10 N ATOM 667 CA ASP A 43 -1.568 2.816 -38.693 1.00 33.24 C ATOM 668 C ASP A 43 -0.082 2.857 -39.034 1.00 21.14 C ATOM 669 O ASP A 43 0.736 2.227 -38.364 1.00 4.53 O ATOM 670 CB ASP A 43 -2.070 4.225 -38.372 1.00 14.14 C ATOM 671 CG ASP A 43 -2.573 4.955 -39.602 1.00 53.01 C ATOM 672 OD1 ASP A 43 -3.636 4.566 -40.129 1.00 52.23 O ATOM 673 OD2 ASP A 43 -1.903 5.914 -40.039 1.00 4.11 O ATOM 0 H ASP A 43 -1.112 1.958 -36.835 1.00 24.10 H new ATOM 0 HA ASP A 43 -2.110 2.434 -39.558 1.00 33.24 H new ATOM 0 HB2 ASP A 43 -2.872 4.163 -37.637 1.00 14.14 H new ATOM 0 HB3 ASP A 43 -1.264 4.800 -37.916 1.00 14.14 H new ATOM 678 N ALA A 44 0.260 3.603 -40.080 1.00 11.33 N ATOM 679 CA ALA A 44 1.647 3.726 -40.509 1.00 41.31 C ATOM 680 C ALA A 44 2.537 4.192 -39.361 1.00 2.35 C ATOM 681 O ALA A 44 3.635 3.672 -39.166 1.00 3.31 O ATOM 682 CB ALA A 44 1.752 4.687 -41.684 1.00 54.41 C ATOM 0 H ALA A 44 -0.405 4.131 -40.645 1.00 11.33 H new ATOM 0 HA ALA A 44 1.993 2.742 -40.826 1.00 41.31 H new ATOM 0 HB1 ALA A 44 2.794 4.770 -41.994 1.00 54.41 H new ATOM 0 HB2 ALA A 44 1.154 4.312 -42.515 1.00 54.41 H new ATOM 0 HB3 ALA A 44 1.383 5.668 -41.385 1.00 54.41 H new ATOM 688 N GLU A 45 2.056 5.175 -38.606 1.00 21.11 N ATOM 689 CA GLU A 45 2.810 5.711 -37.479 1.00 32.33 C ATOM 690 C GLU A 45 3.077 4.627 -36.438 1.00 22.11 C ATOM 691 O GLU A 45 4.215 4.423 -36.014 1.00 3.32 O ATOM 692 CB GLU A 45 2.053 6.875 -36.837 1.00 25.10 C ATOM 693 CG GLU A 45 2.960 7.914 -36.200 1.00 65.44 C ATOM 694 CD GLU A 45 2.223 9.190 -35.843 1.00 54.25 C ATOM 695 OE1 GLU A 45 1.791 9.906 -36.770 1.00 35.42 O ATOM 696 OE2 GLU A 45 2.080 9.473 -34.635 1.00 31.22 O ATOM 0 H GLU A 45 1.148 5.616 -38.754 1.00 21.11 H new ATOM 0 HA GLU A 45 3.767 6.073 -37.855 1.00 32.33 H new ATOM 0 HB2 GLU A 45 1.437 7.359 -37.595 1.00 25.10 H new ATOM 0 HB3 GLU A 45 1.376 6.483 -36.079 1.00 25.10 H new ATOM 0 HG2 GLU A 45 3.411 7.495 -35.300 1.00 65.44 H new ATOM 0 HG3 GLU A 45 3.775 8.149 -36.885 1.00 65.44 H new ATOM 703 N THR A 46 2.018 3.934 -36.030 1.00 73.34 N ATOM 704 CA THR A 46 2.136 2.872 -35.038 1.00 14.20 C ATOM 705 C THR A 46 3.081 1.776 -35.516 1.00 20.44 C ATOM 706 O THR A 46 3.965 1.339 -34.778 1.00 51.10 O ATOM 707 CB THR A 46 0.765 2.249 -34.717 1.00 72.32 C ATOM 708 OG1 THR A 46 -0.281 3.172 -35.042 1.00 61.33 O ATOM 709 CG2 THR A 46 0.674 1.870 -33.246 1.00 1.32 C ATOM 0 H THR A 46 1.069 4.089 -36.371 1.00 73.34 H new ATOM 0 HA THR A 46 2.540 3.327 -34.134 1.00 14.20 H new ATOM 0 HB THR A 46 0.652 1.346 -35.317 1.00 72.32 H new ATOM 0 HG1 THR A 46 -1.150 2.768 -34.837 1.00 61.33 H new ATOM 0 HG21 THR A 46 -0.303 1.432 -33.043 1.00 1.32 H new ATOM 0 HG22 THR A 46 1.453 1.146 -33.008 1.00 1.32 H new ATOM 0 HG23 THR A 46 0.807 2.761 -32.632 1.00 1.32 H new ATOM 717 N LEU A 47 2.889 1.334 -36.754 1.00 41.05 N ATOM 718 CA LEU A 47 3.725 0.288 -37.332 1.00 30.54 C ATOM 719 C LEU A 47 5.199 0.674 -37.272 1.00 4.21 C ATOM 720 O LEU A 47 6.036 -0.101 -36.808 1.00 62.44 O ATOM 721 CB LEU A 47 3.314 0.021 -38.781 1.00 40.43 C ATOM 722 CG LEU A 47 3.395 -1.434 -39.244 1.00 30.21 C ATOM 723 CD1 LEU A 47 4.832 -1.929 -39.200 1.00 72.53 C ATOM 724 CD2 LEU A 47 2.498 -2.317 -38.389 1.00 35.34 C ATOM 0 H LEU A 47 2.161 1.684 -37.377 1.00 41.05 H new ATOM 0 HA LEU A 47 3.583 -0.621 -36.748 1.00 30.54 H new ATOM 0 HB2 LEU A 47 2.290 0.368 -38.917 1.00 40.43 H new ATOM 0 HB3 LEU A 47 3.945 0.625 -39.434 1.00 40.43 H new ATOM 0 HG LEU A 47 3.046 -1.487 -40.275 1.00 30.21 H new ATOM 0 HD11 LEU A 47 4.870 -2.966 -39.533 1.00 72.53 H new ATOM 0 HD12 LEU A 47 5.449 -1.315 -39.856 1.00 72.53 H new ATOM 0 HD13 LEU A 47 5.209 -1.861 -38.180 1.00 72.53 H new ATOM 0 HD21 LEU A 47 2.569 -3.349 -38.733 1.00 35.34 H new ATOM 0 HD22 LEU A 47 2.816 -2.259 -37.348 1.00 35.34 H new ATOM 0 HD23 LEU A 47 1.466 -1.976 -38.473 1.00 35.34 H new ATOM 736 N ASP A 48 5.510 1.877 -37.743 1.00 1.01 N ATOM 737 CA ASP A 48 6.883 2.367 -37.740 1.00 1.33 C ATOM 738 C ASP A 48 7.456 2.371 -36.326 1.00 4.12 C ATOM 739 O ASP A 48 8.565 1.888 -36.094 1.00 45.52 O ATOM 740 CB ASP A 48 6.945 3.776 -38.332 1.00 15.35 C ATOM 741 CG ASP A 48 8.353 4.178 -38.726 1.00 42.32 C ATOM 742 OD1 ASP A 48 9.262 3.327 -38.628 1.00 12.50 O ATOM 743 OD2 ASP A 48 8.545 5.342 -39.133 1.00 70.50 O ATOM 0 H ASP A 48 4.830 2.530 -38.132 1.00 1.01 H new ATOM 0 HA ASP A 48 7.483 1.696 -38.354 1.00 1.33 H new ATOM 0 HB2 ASP A 48 6.297 3.828 -39.207 1.00 15.35 H new ATOM 0 HB3 ASP A 48 6.557 4.490 -37.605 1.00 15.35 H new ATOM 748 N ARG A 49 6.694 2.919 -35.386 1.00 40.22 N ATOM 749 CA ARG A 49 7.127 2.987 -33.995 1.00 24.55 C ATOM 750 C ARG A 49 7.466 1.598 -33.462 1.00 53.00 C ATOM 751 O ARG A 49 8.460 1.417 -32.759 1.00 73.52 O ATOM 752 CB ARG A 49 6.038 3.625 -33.130 1.00 41.24 C ATOM 753 CG ARG A 49 6.333 5.065 -32.743 1.00 35.00 C ATOM 754 CD ARG A 49 5.055 5.875 -32.595 1.00 53.11 C ATOM 755 NE ARG A 49 5.146 6.848 -31.509 1.00 73.43 N ATOM 756 CZ ARG A 49 5.103 6.519 -30.223 1.00 12.33 C ATOM 757 NH1 ARG A 49 4.970 5.250 -29.863 1.00 1.45 N ATOM 758 NH2 ARG A 49 5.193 7.462 -29.293 1.00 21.11 N ATOM 0 H ARG A 49 5.774 3.322 -35.562 1.00 40.22 H new ATOM 0 HA ARG A 49 8.025 3.603 -33.950 1.00 24.55 H new ATOM 0 HB2 ARG A 49 5.091 3.589 -33.668 1.00 41.24 H new ATOM 0 HB3 ARG A 49 5.912 3.033 -32.224 1.00 41.24 H new ATOM 0 HG2 ARG A 49 6.888 5.084 -31.805 1.00 35.00 H new ATOM 0 HG3 ARG A 49 6.970 5.523 -33.500 1.00 35.00 H new ATOM 0 HD2 ARG A 49 4.845 6.394 -33.530 1.00 53.11 H new ATOM 0 HD3 ARG A 49 4.218 5.201 -32.409 1.00 53.11 H new ATOM 0 HE ARG A 49 5.248 7.833 -31.752 1.00 73.43 H new ATOM 0 HH11 ARG A 49 4.900 4.523 -30.575 1.00 1.45 H new ATOM 0 HH12 ARG A 49 4.937 5.001 -28.874 1.00 1.45 H new ATOM 0 HH21 ARG A 49 5.295 8.439 -29.566 1.00 21.11 H new ATOM 0 HH22 ARG A 49 5.160 7.209 -28.305 1.00 21.11 H new ATOM 772 N PHE A 50 6.633 0.620 -33.802 1.00 52.05 N ATOM 773 CA PHE A 50 6.844 -0.753 -33.357 1.00 23.30 C ATOM 774 C PHE A 50 8.084 -1.353 -34.013 1.00 71.14 C ATOM 775 O PHE A 50 8.961 -1.890 -33.335 1.00 40.10 O ATOM 776 CB PHE A 50 5.617 -1.609 -33.679 1.00 63.44 C ATOM 777 CG PHE A 50 4.467 -1.387 -32.739 1.00 22.12 C ATOM 778 CD1 PHE A 50 4.648 -1.480 -31.368 1.00 32.42 C ATOM 779 CD2 PHE A 50 3.206 -1.084 -33.226 1.00 14.32 C ATOM 780 CE1 PHE A 50 3.591 -1.276 -30.501 1.00 14.22 C ATOM 781 CE2 PHE A 50 2.145 -0.879 -32.363 1.00 41.31 C ATOM 782 CZ PHE A 50 2.339 -0.974 -30.999 1.00 24.45 C ATOM 0 H PHE A 50 5.806 0.752 -34.384 1.00 52.05 H new ATOM 0 HA PHE A 50 6.997 -0.740 -32.278 1.00 23.30 H new ATOM 0 HB2 PHE A 50 5.291 -1.394 -34.696 1.00 63.44 H new ATOM 0 HB3 PHE A 50 5.901 -2.661 -33.651 1.00 63.44 H new ATOM 0 HD1 PHE A 50 5.625 -1.714 -30.973 1.00 32.42 H new ATOM 0 HD2 PHE A 50 3.050 -1.007 -34.292 1.00 14.32 H new ATOM 0 HE1 PHE A 50 3.744 -1.353 -29.435 1.00 14.22 H new ATOM 0 HE2 PHE A 50 1.166 -0.645 -32.755 1.00 41.31 H new ATOM 0 HZ PHE A 50 1.513 -0.812 -30.323 1.00 24.45 H new ATOM 792 N LEU A 51 8.150 -1.259 -35.337 1.00 22.50 N ATOM 793 CA LEU A 51 9.282 -1.793 -36.086 1.00 0.23 C ATOM 794 C LEU A 51 10.586 -1.136 -35.645 1.00 53.31 C ATOM 795 O LEU A 51 11.660 -1.727 -35.755 1.00 22.12 O ATOM 796 CB LEU A 51 9.072 -1.579 -37.586 1.00 24.51 C ATOM 797 CG LEU A 51 9.521 -2.722 -38.496 1.00 22.33 C ATOM 798 CD1 LEU A 51 11.007 -2.995 -38.318 1.00 70.24 C ATOM 799 CD2 LEU A 51 8.709 -3.978 -38.216 1.00 23.22 C ATOM 0 H LEU A 51 7.433 -0.818 -35.913 1.00 22.50 H new ATOM 0 HA LEU A 51 9.349 -2.862 -35.883 1.00 0.23 H new ATOM 0 HB2 LEU A 51 8.012 -1.396 -37.762 1.00 24.51 H new ATOM 0 HB3 LEU A 51 9.604 -0.675 -37.882 1.00 24.51 H new ATOM 0 HG LEU A 51 9.349 -2.425 -39.531 1.00 22.33 H new ATOM 0 HD11 LEU A 51 11.308 -3.812 -38.974 1.00 70.24 H new ATOM 0 HD12 LEU A 51 11.574 -2.099 -38.570 1.00 70.24 H new ATOM 0 HD13 LEU A 51 11.205 -3.270 -37.282 1.00 70.24 H new ATOM 0 HD21 LEU A 51 9.043 -4.781 -38.873 1.00 23.22 H new ATOM 0 HD22 LEU A 51 8.849 -4.278 -37.177 1.00 23.22 H new ATOM 0 HD23 LEU A 51 7.653 -3.776 -38.397 1.00 23.22 H new ATOM 811 N LYS A 52 10.484 0.090 -35.142 1.00 72.22 N ATOM 812 CA LYS A 52 11.654 0.827 -34.680 1.00 13.04 C ATOM 813 C LYS A 52 12.032 0.414 -33.262 1.00 1.22 C ATOM 814 O LYS A 52 13.184 0.555 -32.848 1.00 22.51 O ATOM 815 CB LYS A 52 11.385 2.333 -34.729 1.00 14.41 C ATOM 816 CG LYS A 52 11.623 2.950 -36.096 1.00 64.25 C ATOM 817 CD LYS A 52 11.332 4.441 -36.094 1.00 12.02 C ATOM 818 CE LYS A 52 12.435 5.224 -35.399 1.00 32.31 C ATOM 819 NZ LYS A 52 12.204 5.323 -33.931 1.00 13.43 N ATOM 0 H LYS A 52 9.603 0.594 -35.044 1.00 72.22 H new ATOM 0 HA LYS A 52 12.487 0.590 -35.343 1.00 13.04 H new ATOM 0 HB2 LYS A 52 10.353 2.519 -34.431 1.00 14.41 H new ATOM 0 HB3 LYS A 52 12.023 2.831 -33.999 1.00 14.41 H new ATOM 0 HG2 LYS A 52 12.657 2.781 -36.397 1.00 64.25 H new ATOM 0 HG3 LYS A 52 10.991 2.456 -36.834 1.00 64.25 H new ATOM 0 HD2 LYS A 52 11.226 4.793 -37.120 1.00 12.02 H new ATOM 0 HD3 LYS A 52 10.382 4.627 -35.593 1.00 12.02 H new ATOM 0 HE2 LYS A 52 13.395 4.742 -35.584 1.00 32.31 H new ATOM 0 HE3 LYS A 52 12.494 6.225 -35.826 1.00 32.31 H new ATOM 0 HZ1 LYS A 52 12.195 6.324 -33.648 1.00 13.43 H new ATOM 0 HZ2 LYS A 52 11.290 4.887 -33.693 1.00 13.43 H new ATOM 0 HZ3 LYS A 52 12.966 4.827 -33.425 1.00 13.43 H new ATOM 833 N THR A 53 11.056 -0.100 -32.519 1.00 24.20 N ATOM 834 CA THR A 53 11.287 -0.535 -31.148 1.00 34.52 C ATOM 835 C THR A 53 11.845 -1.953 -31.107 1.00 21.14 C ATOM 836 O THR A 53 12.640 -2.293 -30.231 1.00 72.44 O ATOM 837 CB THR A 53 9.992 -0.480 -30.315 1.00 24.53 C ATOM 838 OG1 THR A 53 9.490 0.860 -30.278 1.00 13.12 O ATOM 839 CG2 THR A 53 10.239 -0.974 -28.898 1.00 64.44 C ATOM 0 H THR A 53 10.098 -0.225 -32.845 1.00 24.20 H new ATOM 0 HA THR A 53 12.016 0.151 -30.718 1.00 34.52 H new ATOM 0 HB THR A 53 9.255 -1.130 -30.786 1.00 24.53 H new ATOM 0 HG1 THR A 53 9.016 1.055 -31.113 1.00 13.12 H new ATOM 0 HG21 THR A 53 9.311 -0.926 -28.329 1.00 64.44 H new ATOM 0 HG22 THR A 53 10.593 -2.004 -28.928 1.00 64.44 H new ATOM 0 HG23 THR A 53 10.991 -0.346 -28.420 1.00 64.44 H new ATOM 847 N VAL A 54 11.422 -2.778 -32.060 1.00 5.34 N ATOM 848 CA VAL A 54 11.881 -4.160 -32.134 1.00 43.11 C ATOM 849 C VAL A 54 12.102 -4.589 -33.580 1.00 50.42 C ATOM 850 O VAL A 54 11.550 -4.011 -34.517 1.00 41.32 O ATOM 851 CB VAL A 54 10.875 -5.121 -31.473 1.00 32.21 C ATOM 852 CG1 VAL A 54 11.131 -5.216 -29.977 1.00 15.02 C ATOM 853 CG2 VAL A 54 9.448 -4.672 -31.751 1.00 51.22 C ATOM 0 H VAL A 54 10.762 -2.513 -32.791 1.00 5.34 H new ATOM 0 HA VAL A 54 12.827 -4.209 -31.595 1.00 43.11 H new ATOM 0 HB VAL A 54 11.010 -6.113 -31.904 1.00 32.21 H new ATOM 0 HG11 VAL A 54 10.411 -5.899 -29.527 1.00 15.02 H new ATOM 0 HG12 VAL A 54 12.141 -5.588 -29.804 1.00 15.02 H new ATOM 0 HG13 VAL A 54 11.025 -4.229 -29.526 1.00 15.02 H new ATOM 0 HG21 VAL A 54 8.750 -5.362 -31.277 1.00 51.22 H new ATOM 0 HG22 VAL A 54 9.297 -3.670 -31.349 1.00 51.22 H new ATOM 0 HG23 VAL A 54 9.273 -4.661 -32.827 1.00 51.22 H new ATOM 863 N PRO A 55 12.929 -5.628 -33.769 1.00 2.25 N ATOM 864 CA PRO A 55 13.242 -6.159 -35.099 1.00 2.03 C ATOM 865 C PRO A 55 12.051 -6.865 -35.736 1.00 74.41 C ATOM 866 O PRO A 55 11.308 -7.579 -35.063 1.00 51.24 O ATOM 867 CB PRO A 55 14.372 -7.155 -34.826 1.00 33.24 C ATOM 868 CG PRO A 55 14.178 -7.568 -33.408 1.00 34.23 C ATOM 869 CD PRO A 55 13.622 -6.365 -32.699 1.00 62.25 C ATOM 0 HA PRO A 55 13.512 -5.369 -35.800 1.00 2.03 H new ATOM 0 HB2 PRO A 55 14.317 -8.011 -35.499 1.00 33.24 H new ATOM 0 HB3 PRO A 55 15.349 -6.696 -34.974 1.00 33.24 H new ATOM 0 HG2 PRO A 55 13.493 -8.413 -33.338 1.00 34.23 H new ATOM 0 HG3 PRO A 55 15.121 -7.883 -32.961 1.00 34.23 H new ATOM 0 HD2 PRO A 55 12.938 -6.650 -31.900 1.00 62.25 H new ATOM 0 HD3 PRO A 55 14.411 -5.766 -32.245 1.00 62.25 H new ATOM 877 N TRP A 56 11.875 -6.662 -37.037 1.00 2.13 N ATOM 878 CA TRP A 56 10.773 -7.281 -37.765 1.00 72.32 C ATOM 879 C TRP A 56 10.818 -8.799 -37.633 1.00 33.30 C ATOM 880 O TRP A 56 9.797 -9.473 -37.772 1.00 54.31 O ATOM 881 CB TRP A 56 10.822 -6.883 -39.241 1.00 43.12 C ATOM 882 CG TRP A 56 12.171 -7.082 -39.865 1.00 71.25 C ATOM 883 CD1 TRP A 56 13.117 -6.125 -40.095 1.00 71.41 C ATOM 884 CD2 TRP A 56 12.721 -8.316 -40.340 1.00 63.01 C ATOM 885 NE1 TRP A 56 14.223 -6.689 -40.684 1.00 11.50 N ATOM 886 CE2 TRP A 56 14.005 -8.032 -40.845 1.00 54.44 C ATOM 887 CE3 TRP A 56 12.255 -9.632 -40.387 1.00 64.22 C ATOM 888 CZ2 TRP A 56 14.825 -9.017 -41.389 1.00 2.44 C ATOM 889 CZ3 TRP A 56 13.070 -10.608 -40.928 1.00 44.31 C ATOM 890 CH2 TRP A 56 14.343 -10.297 -41.423 1.00 14.15 C ATOM 0 H TRP A 56 12.481 -6.074 -37.609 1.00 2.13 H new ATOM 0 HA TRP A 56 9.839 -6.925 -37.331 1.00 72.32 H new ATOM 0 HB2 TRP A 56 10.085 -7.467 -39.792 1.00 43.12 H new ATOM 0 HB3 TRP A 56 10.536 -5.836 -39.337 1.00 43.12 H new ATOM 0 HD1 TRP A 56 13.012 -5.078 -39.850 1.00 71.41 H new ATOM 0 HE1 TRP A 56 15.069 -6.189 -40.957 1.00 11.50 H new ATOM 0 HE3 TRP A 56 11.275 -9.882 -40.007 1.00 64.22 H new ATOM 0 HZ2 TRP A 56 15.807 -8.779 -41.771 1.00 2.44 H new ATOM 0 HZ3 TRP A 56 12.719 -11.629 -40.970 1.00 44.31 H new ATOM 0 HH2 TRP A 56 14.956 -11.083 -41.839 1.00 14.15 H new ATOM 901 N GLU A 57 12.006 -9.331 -37.364 1.00 24.51 N ATOM 902 CA GLU A 57 12.182 -10.770 -37.214 1.00 64.15 C ATOM 903 C GLU A 57 11.533 -11.266 -35.925 1.00 74.11 C ATOM 904 O GLU A 57 11.071 -12.405 -35.850 1.00 43.02 O ATOM 905 CB GLU A 57 13.669 -11.128 -37.220 1.00 44.32 C ATOM 906 CG GLU A 57 14.388 -10.762 -35.932 1.00 74.32 C ATOM 907 CD GLU A 57 15.820 -10.322 -36.169 1.00 2.22 C ATOM 908 OE1 GLU A 57 16.392 -10.703 -37.212 1.00 35.22 O ATOM 909 OE2 GLU A 57 16.369 -9.599 -35.312 1.00 73.32 O ATOM 0 H GLU A 57 12.861 -8.787 -37.246 1.00 24.51 H new ATOM 0 HA GLU A 57 11.695 -11.259 -38.057 1.00 64.15 H new ATOM 0 HB2 GLU A 57 13.776 -12.199 -37.394 1.00 44.32 H new ATOM 0 HB3 GLU A 57 14.153 -10.620 -38.054 1.00 44.32 H new ATOM 0 HG2 GLU A 57 13.844 -9.961 -35.431 1.00 74.32 H new ATOM 0 HG3 GLU A 57 14.382 -11.620 -35.260 1.00 74.32 H new ATOM 916 N GLN A 58 11.503 -10.404 -34.914 1.00 73.33 N ATOM 917 CA GLN A 58 10.912 -10.755 -33.628 1.00 13.45 C ATOM 918 C GLN A 58 9.639 -9.954 -33.378 1.00 24.32 C ATOM 919 O GLN A 58 9.265 -9.704 -32.231 1.00 52.14 O ATOM 920 CB GLN A 58 11.914 -10.508 -32.499 1.00 52.31 C ATOM 921 CG GLN A 58 13.279 -11.129 -32.750 1.00 2.22 C ATOM 922 CD GLN A 58 14.069 -11.337 -31.473 1.00 73.04 C ATOM 923 OE1 GLN A 58 13.549 -11.856 -30.485 1.00 12.51 O ATOM 924 NE2 GLN A 58 15.334 -10.932 -31.487 1.00 11.14 N ATOM 0 H GLN A 58 11.881 -9.458 -34.960 1.00 73.33 H new ATOM 0 HA GLN A 58 10.655 -11.814 -33.651 1.00 13.45 H new ATOM 0 HB2 GLN A 58 12.033 -9.434 -32.359 1.00 52.31 H new ATOM 0 HB3 GLN A 58 11.508 -10.908 -31.570 1.00 52.31 H new ATOM 0 HG2 GLN A 58 13.151 -12.087 -33.254 1.00 2.22 H new ATOM 0 HG3 GLN A 58 13.847 -10.488 -33.424 1.00 2.22 H new ATOM 0 HE21 GLN A 58 15.724 -10.507 -32.328 1.00 11.14 H new ATOM 0 HE22 GLN A 58 15.915 -11.046 -30.657 1.00 11.14 H new ATOM 933 N LEU A 59 8.976 -9.554 -34.457 1.00 41.15 N ATOM 934 CA LEU A 59 7.743 -8.781 -34.355 1.00 23.12 C ATOM 935 C LEU A 59 6.540 -9.615 -34.783 1.00 51.11 C ATOM 936 O LEU A 59 5.405 -9.333 -34.393 1.00 4.12 O ATOM 937 CB LEU A 59 7.836 -7.519 -35.215 1.00 20.44 C ATOM 938 CG LEU A 59 7.497 -6.203 -34.515 1.00 33.41 C ATOM 939 CD1 LEU A 59 8.580 -5.167 -34.772 1.00 5.54 C ATOM 940 CD2 LEU A 59 6.142 -5.687 -34.977 1.00 61.44 C ATOM 0 H LEU A 59 9.271 -9.752 -35.413 1.00 41.15 H new ATOM 0 HA LEU A 59 7.609 -8.493 -33.312 1.00 23.12 H new ATOM 0 HB2 LEU A 59 8.849 -7.447 -35.610 1.00 20.44 H new ATOM 0 HB3 LEU A 59 7.169 -7.635 -36.069 1.00 20.44 H new ATOM 0 HG LEU A 59 7.447 -6.387 -33.442 1.00 33.41 H new ATOM 0 HD11 LEU A 59 8.321 -4.237 -34.266 1.00 5.54 H new ATOM 0 HD12 LEU A 59 9.533 -5.535 -34.391 1.00 5.54 H new ATOM 0 HD13 LEU A 59 8.663 -4.986 -35.844 1.00 5.54 H new ATOM 0 HD21 LEU A 59 5.917 -4.750 -34.468 1.00 61.44 H new ATOM 0 HD22 LEU A 59 6.164 -5.519 -36.054 1.00 61.44 H new ATOM 0 HD23 LEU A 59 5.373 -6.422 -34.740 1.00 61.44 H new ATOM 952 N LEU A 60 6.794 -10.643 -35.585 1.00 55.45 N ATOM 953 CA LEU A 60 5.732 -11.520 -36.065 1.00 62.31 C ATOM 954 C LEU A 60 6.119 -12.986 -35.895 1.00 44.10 C ATOM 955 O LEU A 60 7.228 -13.390 -36.241 1.00 61.30 O ATOM 956 CB LEU A 60 5.428 -11.228 -37.535 1.00 44.32 C ATOM 957 CG LEU A 60 6.459 -11.732 -38.546 1.00 11.04 C ATOM 958 CD1 LEU A 60 5.974 -13.011 -39.211 1.00 41.24 C ATOM 959 CD2 LEU A 60 6.749 -10.663 -39.590 1.00 71.44 C ATOM 0 H LEU A 60 7.726 -10.890 -35.917 1.00 55.45 H new ATOM 0 HA LEU A 60 4.839 -11.328 -35.471 1.00 62.31 H new ATOM 0 HB2 LEU A 60 4.462 -11.669 -37.780 1.00 44.32 H new ATOM 0 HB3 LEU A 60 5.326 -10.150 -37.657 1.00 44.32 H new ATOM 0 HG LEU A 60 7.384 -11.952 -38.013 1.00 11.04 H new ATOM 0 HD11 LEU A 60 6.721 -13.355 -39.927 1.00 41.24 H new ATOM 0 HD12 LEU A 60 5.818 -13.779 -38.453 1.00 41.24 H new ATOM 0 HD13 LEU A 60 5.035 -12.818 -39.730 1.00 41.24 H new ATOM 0 HD21 LEU A 60 7.485 -11.039 -40.301 1.00 71.44 H new ATOM 0 HD22 LEU A 60 5.829 -10.411 -40.118 1.00 71.44 H new ATOM 0 HD23 LEU A 60 7.141 -9.772 -39.099 1.00 71.44 H new ATOM 971 N ASN A 61 5.194 -13.778 -35.361 1.00 14.22 N ATOM 972 CA ASN A 61 5.438 -15.200 -35.146 1.00 33.24 C ATOM 973 C ASN A 61 5.940 -15.864 -36.424 1.00 54.15 C ATOM 974 O ASN A 61 5.515 -15.516 -37.526 1.00 1.23 O ATOM 975 CB ASN A 61 4.159 -15.891 -34.668 1.00 52.35 C ATOM 976 CG ASN A 61 3.196 -16.177 -35.804 1.00 2.34 C ATOM 977 OD1 ASN A 61 2.943 -15.170 -36.632 1.00 42.20 O flip ATOM 978 ND2 ASN A 61 2.688 -17.290 -35.936 1.00 71.33 N flip ATOM 0 H ASN A 61 4.270 -13.460 -35.070 1.00 14.22 H new ATOM 0 HA ASN A 61 6.206 -15.300 -34.379 1.00 33.24 H new ATOM 0 HB2 ASN A 61 4.419 -16.826 -34.171 1.00 52.35 H new ATOM 0 HB3 ASN A 61 3.665 -15.263 -33.927 1.00 52.35 H new ATOM 0 HD21 ASN A 61 2.912 -18.034 -35.275 1.00 71.33 H new ATOM 0 HD22 ASN A 61 2.043 -17.468 -36.706 1.00 71.33 H new ATOM 985 N ARG A 62 6.847 -16.823 -36.268 1.00 14.43 N ATOM 986 CA ARG A 62 7.409 -17.537 -37.409 1.00 62.32 C ATOM 987 C ARG A 62 7.037 -19.016 -37.362 1.00 71.20 C ATOM 988 O ARG A 62 7.118 -19.719 -38.369 1.00 73.11 O ATOM 989 CB ARG A 62 8.930 -17.383 -37.436 1.00 1.22 C ATOM 990 CG ARG A 62 9.394 -15.951 -37.647 1.00 71.45 C ATOM 991 CD ARG A 62 9.932 -15.344 -36.361 1.00 72.42 C ATOM 992 NE ARG A 62 11.333 -15.693 -36.135 1.00 15.00 N ATOM 993 CZ ARG A 62 11.946 -15.549 -34.966 1.00 45.11 C ATOM 994 NH1 ARG A 62 11.286 -15.067 -33.922 1.00 32.15 N ATOM 995 NH2 ARG A 62 13.223 -15.889 -34.839 1.00 4.03 N ATOM 0 H ARG A 62 7.208 -17.124 -35.363 1.00 14.43 H new ATOM 0 HA ARG A 62 6.991 -17.104 -38.318 1.00 62.32 H new ATOM 0 HB2 ARG A 62 9.341 -17.754 -36.497 1.00 1.22 H new ATOM 0 HB3 ARG A 62 9.336 -18.008 -38.231 1.00 1.22 H new ATOM 0 HG2 ARG A 62 10.169 -15.928 -38.413 1.00 71.45 H new ATOM 0 HG3 ARG A 62 8.563 -15.349 -38.015 1.00 71.45 H new ATOM 0 HD2 ARG A 62 9.831 -14.259 -36.402 1.00 72.42 H new ATOM 0 HD3 ARG A 62 9.332 -15.689 -35.519 1.00 72.42 H new ATOM 0 HE ARG A 62 11.869 -16.068 -36.918 1.00 15.00 H new ATOM 0 HH11 ARG A 62 10.305 -14.806 -34.015 1.00 32.15 H new ATOM 0 HH12 ARG A 62 11.760 -14.958 -33.025 1.00 32.15 H new ATOM 0 HH21 ARG A 62 13.734 -16.261 -35.640 1.00 4.03 H new ATOM 0 HH22 ARG A 62 13.693 -15.778 -33.941 1.00 4.03 H new ATOM 1009 N ALA A 63 6.630 -19.481 -36.186 1.00 13.41 N ATOM 1010 CA ALA A 63 6.244 -20.875 -36.008 1.00 11.25 C ATOM 1011 C ALA A 63 4.736 -21.050 -36.150 1.00 40.23 C ATOM 1012 O ALA A 63 4.144 -21.939 -35.539 1.00 15.22 O ATOM 1013 CB ALA A 63 6.711 -21.383 -34.651 1.00 4.01 C ATOM 0 H ALA A 63 6.559 -18.913 -35.342 1.00 13.41 H new ATOM 0 HA ALA A 63 6.726 -21.462 -36.789 1.00 11.25 H new ATOM 0 HB1 ALA A 63 6.416 -22.425 -34.532 1.00 4.01 H new ATOM 0 HB2 ALA A 63 7.796 -21.303 -34.586 1.00 4.01 H new ATOM 0 HB3 ALA A 63 6.256 -20.784 -33.862 1.00 4.01 H new ATOM 1019 N GLY A 64 4.119 -20.195 -36.960 1.00 15.42 N ATOM 1020 CA GLY A 64 2.685 -20.272 -37.167 1.00 64.14 C ATOM 1021 C GLY A 64 2.318 -20.443 -38.628 1.00 10.02 C ATOM 1022 O GLY A 64 3.151 -20.838 -39.444 1.00 62.15 O ATOM 0 H GLY A 64 4.587 -19.450 -37.477 1.00 15.42 H new ATOM 0 HA2 GLY A 64 2.283 -21.108 -36.594 1.00 64.14 H new ATOM 0 HA3 GLY A 64 2.216 -19.367 -36.781 1.00 64.14 H new ATOM 1026 N THR A 65 1.066 -20.146 -38.961 1.00 32.42 N ATOM 1027 CA THR A 65 0.589 -20.271 -40.332 1.00 14.14 C ATOM 1028 C THR A 65 0.979 -19.054 -41.163 1.00 2.22 C ATOM 1029 O THR A 65 1.211 -19.160 -42.368 1.00 74.54 O ATOM 1030 CB THR A 65 -0.941 -20.443 -40.382 1.00 43.52 C ATOM 1031 OG1 THR A 65 -1.387 -20.471 -41.742 1.00 71.44 O ATOM 1032 CG2 THR A 65 -1.637 -19.313 -39.638 1.00 24.43 C ATOM 0 H THR A 65 0.363 -19.817 -38.299 1.00 32.42 H new ATOM 0 HA THR A 65 1.061 -21.160 -40.750 1.00 14.14 H new ATOM 0 HB THR A 65 -1.194 -21.386 -39.898 1.00 43.52 H new ATOM 0 HG1 THR A 65 -2.360 -20.582 -41.765 1.00 71.44 H new ATOM 0 HG21 THR A 65 -2.716 -19.456 -39.687 1.00 24.43 H new ATOM 0 HG22 THR A 65 -1.318 -19.313 -38.596 1.00 24.43 H new ATOM 0 HG23 THR A 65 -1.376 -18.360 -40.098 1.00 24.43 H new ATOM 1040 N THR A 66 1.052 -17.897 -40.512 1.00 75.01 N ATOM 1041 CA THR A 66 1.414 -16.659 -41.191 1.00 24.34 C ATOM 1042 C THR A 66 2.720 -16.817 -41.961 1.00 70.12 C ATOM 1043 O THR A 66 2.793 -16.503 -43.150 1.00 31.44 O ATOM 1044 CB THR A 66 1.556 -15.493 -40.195 1.00 53.23 C ATOM 1045 OG1 THR A 66 2.650 -15.740 -39.304 1.00 11.42 O ATOM 1046 CG2 THR A 66 0.276 -15.306 -39.395 1.00 2.54 C ATOM 0 H THR A 66 0.865 -17.792 -39.515 1.00 75.01 H new ATOM 0 HA THR A 66 0.608 -16.434 -41.890 1.00 24.34 H new ATOM 0 HB THR A 66 1.748 -14.582 -40.761 1.00 53.23 H new ATOM 0 HG1 THR A 66 2.426 -15.406 -38.410 1.00 11.42 H new ATOM 0 HG21 THR A 66 0.400 -14.477 -38.698 1.00 2.54 H new ATOM 0 HG22 THR A 66 -0.549 -15.089 -40.074 1.00 2.54 H new ATOM 0 HG23 THR A 66 0.058 -16.218 -38.839 1.00 2.54 H new ATOM 1054 N PHE A 67 3.750 -17.305 -41.278 1.00 31.33 N ATOM 1055 CA PHE A 67 5.054 -17.504 -41.898 1.00 51.22 C ATOM 1056 C PHE A 67 5.004 -18.639 -42.917 1.00 2.20 C ATOM 1057 O PHE A 67 5.660 -18.583 -43.957 1.00 62.22 O ATOM 1058 CB PHE A 67 6.109 -17.805 -40.832 1.00 14.00 C ATOM 1059 CG PHE A 67 7.506 -17.887 -41.378 1.00 64.31 C ATOM 1060 CD1 PHE A 67 8.011 -19.089 -41.848 1.00 12.13 C ATOM 1061 CD2 PHE A 67 8.314 -16.762 -41.420 1.00 15.52 C ATOM 1062 CE1 PHE A 67 9.297 -19.166 -42.349 1.00 72.43 C ATOM 1063 CE2 PHE A 67 9.601 -16.834 -41.921 1.00 33.54 C ATOM 1064 CZ PHE A 67 10.092 -18.038 -42.387 1.00 75.02 C ATOM 0 H PHE A 67 3.706 -17.570 -40.294 1.00 31.33 H new ATOM 0 HA PHE A 67 5.326 -16.585 -42.418 1.00 51.22 H new ATOM 0 HB2 PHE A 67 6.072 -17.030 -40.066 1.00 14.00 H new ATOM 0 HB3 PHE A 67 5.862 -18.748 -40.344 1.00 14.00 H new ATOM 0 HD1 PHE A 67 7.393 -19.975 -41.823 1.00 12.13 H new ATOM 0 HD2 PHE A 67 7.934 -15.818 -41.057 1.00 15.52 H new ATOM 0 HE1 PHE A 67 9.680 -20.109 -42.711 1.00 72.43 H new ATOM 0 HE2 PHE A 67 10.221 -15.950 -41.948 1.00 33.54 H new ATOM 0 HZ PHE A 67 11.096 -18.097 -42.780 1.00 75.02 H new ATOM 1074 N ARG A 68 4.223 -19.669 -42.608 1.00 35.20 N ATOM 1075 CA ARG A 68 4.088 -20.819 -43.494 1.00 13.24 C ATOM 1076 C ARG A 68 3.308 -20.447 -44.752 1.00 42.44 C ATOM 1077 O ARG A 68 3.314 -21.183 -45.739 1.00 51.04 O ATOM 1078 CB ARG A 68 3.389 -21.970 -42.769 1.00 65.20 C ATOM 1079 CG ARG A 68 4.347 -22.920 -42.070 1.00 50.00 C ATOM 1080 CD ARG A 68 3.758 -24.317 -41.949 1.00 44.21 C ATOM 1081 NE ARG A 68 3.511 -24.921 -43.255 1.00 1.04 N ATOM 1082 CZ ARG A 68 2.880 -26.078 -43.422 1.00 43.45 C ATOM 1083 NH1 ARG A 68 2.435 -26.752 -42.371 1.00 73.52 N ATOM 1084 NH2 ARG A 68 2.694 -26.563 -44.643 1.00 33.20 N ATOM 0 H ARG A 68 3.674 -19.731 -41.751 1.00 35.20 H new ATOM 0 HA ARG A 68 5.088 -21.139 -43.788 1.00 13.24 H new ATOM 0 HB2 ARG A 68 2.698 -21.559 -42.034 1.00 65.20 H new ATOM 0 HB3 ARG A 68 2.793 -22.532 -43.488 1.00 65.20 H new ATOM 0 HG2 ARG A 68 5.284 -22.966 -42.624 1.00 50.00 H new ATOM 0 HG3 ARG A 68 4.582 -22.536 -41.077 1.00 50.00 H new ATOM 0 HD2 ARG A 68 4.439 -24.950 -41.380 1.00 44.21 H new ATOM 0 HD3 ARG A 68 2.824 -24.270 -41.389 1.00 44.21 H new ATOM 0 HE ARG A 68 3.841 -24.428 -44.085 1.00 1.04 H new ATOM 0 HH11 ARG A 68 2.577 -26.383 -41.431 1.00 73.52 H new ATOM 0 HH12 ARG A 68 1.951 -27.640 -42.502 1.00 73.52 H new ATOM 0 HH21 ARG A 68 3.036 -26.047 -45.454 1.00 33.20 H new ATOM 0 HH22 ARG A 68 2.209 -27.451 -44.771 1.00 33.20 H new ATOM 1098 N LYS A 69 2.637 -19.301 -44.709 1.00 73.43 N ATOM 1099 CA LYS A 69 1.852 -18.831 -45.844 1.00 73.42 C ATOM 1100 C LYS A 69 2.738 -18.621 -47.068 1.00 41.12 C ATOM 1101 O LYS A 69 2.456 -19.143 -48.148 1.00 52.53 O ATOM 1102 CB LYS A 69 1.137 -17.525 -45.489 1.00 31.13 C ATOM 1103 CG LYS A 69 -0.078 -17.242 -46.357 1.00 71.24 C ATOM 1104 CD LYS A 69 -0.631 -15.849 -46.105 1.00 50.32 C ATOM 1105 CE LYS A 69 -1.801 -15.539 -47.025 1.00 72.15 C ATOM 1106 NZ LYS A 69 -2.869 -16.573 -46.932 1.00 71.33 N ATOM 0 H LYS A 69 2.621 -18.680 -43.900 1.00 73.43 H new ATOM 0 HA LYS A 69 1.109 -19.593 -46.081 1.00 73.42 H new ATOM 0 HB2 LYS A 69 0.827 -17.563 -44.445 1.00 31.13 H new ATOM 0 HB3 LYS A 69 1.841 -16.698 -45.583 1.00 31.13 H new ATOM 0 HG2 LYS A 69 0.193 -17.342 -47.408 1.00 71.24 H new ATOM 0 HG3 LYS A 69 -0.851 -17.983 -46.155 1.00 71.24 H new ATOM 0 HD2 LYS A 69 -0.952 -15.766 -45.067 1.00 50.32 H new ATOM 0 HD3 LYS A 69 0.157 -15.111 -46.255 1.00 50.32 H new ATOM 0 HE2 LYS A 69 -2.216 -14.564 -46.769 1.00 72.15 H new ATOM 0 HE3 LYS A 69 -1.447 -15.474 -48.054 1.00 72.15 H new ATOM 0 HZ1 LYS A 69 -3.727 -16.230 -47.410 1.00 71.33 H new ATOM 0 HZ2 LYS A 69 -2.545 -17.449 -47.389 1.00 71.33 H new ATOM 0 HZ3 LYS A 69 -3.083 -16.763 -45.932 1.00 71.33 H new ATOM 1120 N LEU A 70 3.809 -17.856 -46.893 1.00 1.50 N ATOM 1121 CA LEU A 70 4.738 -17.579 -47.984 1.00 30.25 C ATOM 1122 C LEU A 70 5.535 -18.826 -48.351 1.00 52.51 C ATOM 1123 O LEU A 70 5.664 -19.764 -47.564 1.00 53.44 O ATOM 1124 CB LEU A 70 5.691 -16.448 -47.594 1.00 30.13 C ATOM 1125 CG LEU A 70 5.161 -15.026 -47.788 1.00 75.04 C ATOM 1126 CD1 LEU A 70 4.906 -14.748 -49.261 1.00 23.34 C ATOM 1127 CD2 LEU A 70 3.891 -14.815 -46.976 1.00 52.00 C ATOM 0 H LEU A 70 4.056 -17.416 -46.007 1.00 1.50 H new ATOM 0 HA LEU A 70 4.157 -17.273 -48.854 1.00 30.25 H new ATOM 0 HB2 LEU A 70 5.962 -16.573 -46.546 1.00 30.13 H new ATOM 0 HB3 LEU A 70 6.607 -16.555 -48.175 1.00 30.13 H new ATOM 0 HG LEU A 70 5.917 -14.325 -47.433 1.00 75.04 H new ATOM 0 HD11 LEU A 70 4.529 -13.732 -49.380 1.00 23.34 H new ATOM 0 HD12 LEU A 70 5.836 -14.858 -49.818 1.00 23.34 H new ATOM 0 HD13 LEU A 70 4.169 -15.455 -49.642 1.00 23.34 H new ATOM 0 HD21 LEU A 70 3.528 -13.798 -47.126 1.00 52.00 H new ATOM 0 HD22 LEU A 70 3.129 -15.524 -47.301 1.00 52.00 H new ATOM 0 HD23 LEU A 70 4.105 -14.972 -45.919 1.00 52.00 H new ATOM 1139 N PRO A 71 6.084 -18.839 -49.575 1.00 40.12 N ATOM 1140 CA PRO A 71 6.881 -19.964 -50.073 1.00 21.41 C ATOM 1141 C PRO A 71 8.224 -20.084 -49.362 1.00 4.43 C ATOM 1142 O PRO A 71 8.513 -19.330 -48.433 1.00 61.04 O ATOM 1143 CB PRO A 71 7.087 -19.626 -51.552 1.00 10.33 C ATOM 1144 CG PRO A 71 6.971 -18.142 -51.620 1.00 64.15 C ATOM 1145 CD PRO A 71 5.971 -17.756 -50.566 1.00 72.42 C ATOM 0 HA PRO A 71 6.385 -20.920 -49.905 1.00 21.41 H new ATOM 0 HB2 PRO A 71 8.062 -19.964 -51.903 1.00 10.33 H new ATOM 0 HB3 PRO A 71 6.337 -20.111 -52.177 1.00 10.33 H new ATOM 0 HG2 PRO A 71 7.934 -17.666 -51.437 1.00 64.15 H new ATOM 0 HG3 PRO A 71 6.640 -17.821 -52.608 1.00 64.15 H new ATOM 0 HD2 PRO A 71 6.203 -16.785 -50.128 1.00 72.42 H new ATOM 0 HD3 PRO A 71 4.963 -17.689 -50.974 1.00 72.42 H new ATOM 1153 N GLU A 72 9.040 -21.035 -49.805 1.00 64.42 N ATOM 1154 CA GLU A 72 10.353 -21.252 -49.209 1.00 2.33 C ATOM 1155 C GLU A 72 11.307 -20.116 -49.565 1.00 32.21 C ATOM 1156 O GLU A 72 12.136 -19.708 -48.751 1.00 64.11 O ATOM 1157 CB GLU A 72 10.936 -22.588 -49.676 1.00 3.30 C ATOM 1158 CG GLU A 72 10.582 -23.756 -48.772 1.00 14.02 C ATOM 1159 CD GLU A 72 11.579 -24.894 -48.873 1.00 23.34 C ATOM 1160 OE1 GLU A 72 12.744 -24.700 -48.466 1.00 2.14 O ATOM 1161 OE2 GLU A 72 11.194 -25.979 -49.358 1.00 4.25 O ATOM 0 H GLU A 72 8.815 -21.667 -50.574 1.00 64.42 H new ATOM 0 HA GLU A 72 10.232 -21.276 -48.126 1.00 2.33 H new ATOM 0 HB2 GLU A 72 10.578 -22.798 -50.684 1.00 3.30 H new ATOM 0 HB3 GLU A 72 12.021 -22.501 -49.735 1.00 3.30 H new ATOM 0 HG2 GLU A 72 10.534 -23.410 -47.739 1.00 14.02 H new ATOM 0 HG3 GLU A 72 9.589 -24.124 -49.031 1.00 14.02 H new ATOM 1168 N ASP A 73 11.185 -19.610 -50.788 1.00 54.44 N ATOM 1169 CA ASP A 73 12.035 -18.521 -51.253 1.00 22.54 C ATOM 1170 C ASP A 73 11.766 -17.245 -50.462 1.00 73.43 C ATOM 1171 O ASP A 73 12.689 -16.618 -49.941 1.00 20.35 O ATOM 1172 CB ASP A 73 11.806 -18.268 -52.744 1.00 11.40 C ATOM 1173 CG ASP A 73 13.025 -17.676 -53.425 1.00 35.22 C ATOM 1174 OD1 ASP A 73 14.155 -18.008 -53.010 1.00 64.21 O ATOM 1175 OD2 ASP A 73 12.848 -16.881 -54.372 1.00 60.34 O ATOM 0 H ASP A 73 10.505 -19.937 -51.475 1.00 54.44 H new ATOM 0 HA ASP A 73 13.074 -18.812 -51.096 1.00 22.54 H new ATOM 0 HB2 ASP A 73 11.540 -19.206 -53.232 1.00 11.40 H new ATOM 0 HB3 ASP A 73 10.960 -17.593 -52.869 1.00 11.40 H new ATOM 1180 N VAL A 74 10.495 -16.865 -50.375 1.00 22.21 N ATOM 1181 CA VAL A 74 10.104 -15.664 -49.647 1.00 51.24 C ATOM 1182 C VAL A 74 10.369 -15.816 -48.153 1.00 71.30 C ATOM 1183 O VAL A 74 10.899 -14.910 -47.511 1.00 64.14 O ATOM 1184 CB VAL A 74 8.615 -15.337 -49.863 1.00 4.32 C ATOM 1185 CG1 VAL A 74 8.213 -14.115 -49.050 1.00 2.42 C ATOM 1186 CG2 VAL A 74 8.325 -15.123 -51.341 1.00 20.32 C ATOM 0 H VAL A 74 9.719 -17.372 -50.800 1.00 22.21 H new ATOM 0 HA VAL A 74 10.708 -14.846 -50.038 1.00 51.24 H new ATOM 0 HB VAL A 74 8.022 -16.184 -49.519 1.00 4.32 H new ATOM 0 HG11 VAL A 74 7.157 -13.899 -49.215 1.00 2.42 H new ATOM 0 HG12 VAL A 74 8.382 -14.311 -47.991 1.00 2.42 H new ATOM 0 HG13 VAL A 74 8.811 -13.259 -49.360 1.00 2.42 H new ATOM 0 HG21 VAL A 74 7.268 -14.893 -51.475 1.00 20.32 H new ATOM 0 HG22 VAL A 74 8.927 -14.294 -51.714 1.00 20.32 H new ATOM 0 HG23 VAL A 74 8.572 -16.029 -51.895 1.00 20.32 H new ATOM 1196 N ARG A 75 9.997 -16.969 -47.607 1.00 32.22 N ATOM 1197 CA ARG A 75 10.193 -17.240 -46.188 1.00 2.22 C ATOM 1198 C ARG A 75 11.640 -16.979 -45.779 1.00 43.01 C ATOM 1199 O ARG A 75 11.916 -16.608 -44.638 1.00 52.32 O ATOM 1200 CB ARG A 75 9.815 -18.687 -45.866 1.00 70.20 C ATOM 1201 CG ARG A 75 8.344 -18.872 -45.532 1.00 33.21 C ATOM 1202 CD ARG A 75 8.034 -20.314 -45.161 1.00 64.25 C ATOM 1203 NE ARG A 75 8.114 -21.206 -46.315 1.00 60.01 N ATOM 1204 CZ ARG A 75 7.528 -22.396 -46.366 1.00 52.41 C ATOM 1205 NH1 ARG A 75 6.822 -22.836 -45.334 1.00 43.22 N ATOM 1206 NH2 ARG A 75 7.647 -23.150 -47.452 1.00 22.23 N ATOM 0 H ARG A 75 9.558 -17.730 -48.125 1.00 32.22 H new ATOM 0 HA ARG A 75 9.547 -16.568 -45.623 1.00 2.22 H new ATOM 0 HB2 ARG A 75 10.068 -19.318 -46.718 1.00 70.20 H new ATOM 0 HB3 ARG A 75 10.416 -19.032 -45.025 1.00 70.20 H new ATOM 0 HG2 ARG A 75 8.072 -18.216 -44.705 1.00 33.21 H new ATOM 0 HG3 ARG A 75 7.736 -18.576 -46.387 1.00 33.21 H new ATOM 0 HD2 ARG A 75 8.733 -20.649 -44.395 1.00 64.25 H new ATOM 0 HD3 ARG A 75 7.035 -20.370 -44.728 1.00 64.25 H new ATOM 0 HE ARG A 75 8.650 -20.897 -47.126 1.00 60.01 H new ATOM 0 HH11 ARG A 75 6.728 -22.260 -44.498 1.00 43.22 H new ATOM 0 HH12 ARG A 75 6.373 -23.751 -45.376 1.00 43.22 H new ATOM 0 HH21 ARG A 75 8.189 -22.815 -48.248 1.00 22.23 H new ATOM 0 HH22 ARG A 75 7.196 -24.064 -47.490 1.00 22.23 H new ATOM 1220 N SER A 76 12.559 -17.175 -46.719 1.00 13.42 N ATOM 1221 CA SER A 76 13.978 -16.965 -46.456 1.00 72.25 C ATOM 1222 C SER A 76 14.430 -15.603 -46.973 1.00 24.11 C ATOM 1223 O SER A 76 15.448 -15.068 -46.536 1.00 72.30 O ATOM 1224 CB SER A 76 14.809 -18.072 -47.107 1.00 52.34 C ATOM 1225 OG SER A 76 16.194 -17.858 -46.901 1.00 11.12 O ATOM 0 H SER A 76 12.347 -17.479 -47.669 1.00 13.42 H new ATOM 0 HA SER A 76 14.130 -16.994 -45.377 1.00 72.25 H new ATOM 0 HB2 SER A 76 14.522 -19.038 -46.693 1.00 52.34 H new ATOM 0 HB3 SER A 76 14.598 -18.108 -48.176 1.00 52.34 H new ATOM 0 HG SER A 76 16.703 -18.580 -47.325 1.00 11.12 H new ATOM 1231 N ASN A 77 13.665 -15.048 -47.908 1.00 61.11 N ATOM 1232 CA ASN A 77 13.987 -13.748 -48.487 1.00 63.22 C ATOM 1233 C ASN A 77 13.122 -12.651 -47.874 1.00 4.51 C ATOM 1234 O ASN A 77 12.624 -11.772 -48.578 1.00 30.21 O ATOM 1235 CB ASN A 77 13.792 -13.780 -50.004 1.00 34.15 C ATOM 1236 CG ASN A 77 14.937 -14.470 -50.720 1.00 2.31 C ATOM 1237 OD1 ASN A 77 16.002 -14.690 -50.142 1.00 62.33 O ATOM 1238 ND2 ASN A 77 14.723 -14.814 -51.984 1.00 63.33 N ATOM 0 H ASN A 77 12.818 -15.478 -48.281 1.00 61.11 H new ATOM 0 HA ASN A 77 15.032 -13.528 -48.267 1.00 63.22 H new ATOM 0 HB2 ASN A 77 12.859 -14.294 -50.237 1.00 34.15 H new ATOM 0 HB3 ASN A 77 13.696 -12.760 -50.377 1.00 34.15 H new ATOM 0 HD21 ASN A 77 15.457 -15.281 -52.517 1.00 63.33 H new ATOM 0 HD22 ASN A 77 13.825 -14.612 -52.422 1.00 63.33 H new ATOM 1245 N VAL A 78 12.947 -12.709 -46.558 1.00 54.35 N ATOM 1246 CA VAL A 78 12.143 -11.719 -45.849 1.00 25.14 C ATOM 1247 C VAL A 78 12.874 -10.385 -45.754 1.00 53.34 C ATOM 1248 O VAL A 78 14.077 -10.341 -45.498 1.00 13.31 O ATOM 1249 CB VAL A 78 11.785 -12.199 -44.430 1.00 24.53 C ATOM 1250 CG1 VAL A 78 13.045 -12.523 -43.642 1.00 61.22 C ATOM 1251 CG2 VAL A 78 10.950 -11.152 -43.709 1.00 61.01 C ATOM 0 H VAL A 78 13.351 -13.431 -45.961 1.00 54.35 H new ATOM 0 HA VAL A 78 11.225 -11.587 -46.422 1.00 25.14 H new ATOM 0 HB VAL A 78 11.192 -13.110 -44.512 1.00 24.53 H new ATOM 0 HG11 VAL A 78 12.772 -12.860 -42.642 1.00 61.22 H new ATOM 0 HG12 VAL A 78 13.600 -13.310 -44.152 1.00 61.22 H new ATOM 0 HG13 VAL A 78 13.667 -11.631 -43.567 1.00 61.22 H new ATOM 0 HG21 VAL A 78 10.706 -11.507 -42.708 1.00 61.01 H new ATOM 0 HG22 VAL A 78 11.515 -10.223 -43.636 1.00 61.01 H new ATOM 0 HG23 VAL A 78 10.030 -10.974 -44.265 1.00 61.01 H new ATOM 1261 N ASP A 79 12.138 -9.298 -45.960 1.00 75.02 N ATOM 1262 CA ASP A 79 12.716 -7.960 -45.896 1.00 32.13 C ATOM 1263 C ASP A 79 11.876 -7.048 -45.007 1.00 22.35 C ATOM 1264 O ASP A 79 10.729 -7.361 -44.687 1.00 11.20 O ATOM 1265 CB ASP A 79 12.828 -7.362 -47.299 1.00 14.11 C ATOM 1266 CG ASP A 79 13.158 -8.406 -48.348 1.00 70.21 C ATOM 1267 OD1 ASP A 79 14.159 -9.131 -48.169 1.00 63.45 O ATOM 1268 OD2 ASP A 79 12.416 -8.496 -49.349 1.00 12.03 O ATOM 0 H ASP A 79 11.141 -9.317 -46.173 1.00 75.02 H new ATOM 0 HA ASP A 79 13.713 -8.042 -45.464 1.00 32.13 H new ATOM 0 HB2 ASP A 79 11.889 -6.874 -47.559 1.00 14.11 H new ATOM 0 HB3 ASP A 79 13.599 -6.592 -47.302 1.00 14.11 H new ATOM 1273 N ALA A 80 12.455 -5.920 -44.610 1.00 44.44 N ATOM 1274 CA ALA A 80 11.760 -4.963 -43.759 1.00 1.03 C ATOM 1275 C ALA A 80 10.465 -4.489 -44.409 1.00 60.14 C ATOM 1276 O ALA A 80 9.408 -4.486 -43.778 1.00 3.35 O ATOM 1277 CB ALA A 80 12.663 -3.777 -43.452 1.00 43.13 C ATOM 0 H ALA A 80 13.404 -5.647 -44.864 1.00 44.44 H new ATOM 0 HA ALA A 80 11.505 -5.464 -42.825 1.00 1.03 H new ATOM 0 HB1 ALA A 80 12.131 -3.070 -42.815 1.00 43.13 H new ATOM 0 HB2 ALA A 80 13.559 -4.125 -42.938 1.00 43.13 H new ATOM 0 HB3 ALA A 80 12.947 -3.285 -44.382 1.00 43.13 H new ATOM 1283 N ALA A 81 10.554 -4.090 -45.673 1.00 21.32 N ATOM 1284 CA ALA A 81 9.388 -3.616 -46.409 1.00 55.31 C ATOM 1285 C ALA A 81 8.238 -4.613 -46.316 1.00 31.04 C ATOM 1286 O ALA A 81 7.149 -4.277 -45.852 1.00 33.41 O ATOM 1287 CB ALA A 81 9.751 -3.359 -47.864 1.00 13.35 C ATOM 0 H ALA A 81 11.422 -4.085 -46.209 1.00 21.32 H new ATOM 0 HA ALA A 81 9.060 -2.680 -45.958 1.00 55.31 H new ATOM 0 HB1 ALA A 81 8.871 -3.006 -48.402 1.00 13.35 H new ATOM 0 HB2 ALA A 81 10.535 -2.604 -47.915 1.00 13.35 H new ATOM 0 HB3 ALA A 81 10.107 -4.283 -48.319 1.00 13.35 H new ATOM 1293 N SER A 82 8.487 -5.840 -46.763 1.00 54.12 N ATOM 1294 CA SER A 82 7.471 -6.885 -46.734 1.00 14.13 C ATOM 1295 C SER A 82 6.895 -7.044 -45.330 1.00 30.51 C ATOM 1296 O SER A 82 5.679 -7.022 -45.140 1.00 1.33 O ATOM 1297 CB SER A 82 8.061 -8.213 -47.209 1.00 73.02 C ATOM 1298 OG SER A 82 8.877 -8.029 -48.354 1.00 11.21 O ATOM 0 H SER A 82 9.384 -6.134 -47.150 1.00 54.12 H new ATOM 0 HA SER A 82 6.665 -6.593 -47.407 1.00 14.13 H new ATOM 0 HB2 SER A 82 8.649 -8.660 -46.408 1.00 73.02 H new ATOM 0 HB3 SER A 82 7.256 -8.910 -47.441 1.00 73.02 H new ATOM 0 HG SER A 82 9.244 -8.893 -48.637 1.00 11.21 H new ATOM 1304 N ALA A 83 7.778 -7.204 -44.350 1.00 34.11 N ATOM 1305 CA ALA A 83 7.359 -7.366 -42.963 1.00 62.10 C ATOM 1306 C ALA A 83 6.426 -6.237 -42.537 1.00 53.55 C ATOM 1307 O ALA A 83 5.306 -6.481 -42.088 1.00 1.10 O ATOM 1308 CB ALA A 83 8.573 -7.424 -42.049 1.00 14.31 C ATOM 0 H ALA A 83 8.788 -7.225 -44.491 1.00 34.11 H new ATOM 0 HA ALA A 83 6.812 -8.305 -42.881 1.00 62.10 H new ATOM 0 HB1 ALA A 83 8.246 -7.545 -41.016 1.00 14.31 H new ATOM 0 HB2 ALA A 83 9.201 -8.269 -42.332 1.00 14.31 H new ATOM 0 HB3 ALA A 83 9.143 -6.500 -42.143 1.00 14.31 H new ATOM 1314 N ARG A 84 6.896 -5.002 -42.679 1.00 14.24 N ATOM 1315 CA ARG A 84 6.104 -3.836 -42.307 1.00 42.23 C ATOM 1316 C ARG A 84 4.722 -3.889 -42.951 1.00 55.53 C ATOM 1317 O ARG A 84 3.714 -3.606 -42.304 1.00 43.13 O ATOM 1318 CB ARG A 84 6.823 -2.551 -42.722 1.00 72.41 C ATOM 1319 CG ARG A 84 8.024 -2.217 -41.851 1.00 43.35 C ATOM 1320 CD ARG A 84 8.569 -0.832 -42.162 1.00 30.14 C ATOM 1321 NE ARG A 84 9.568 -0.863 -43.226 1.00 24.42 N ATOM 1322 CZ ARG A 84 10.079 0.228 -43.787 1.00 23.24 C ATOM 1323 NH1 ARG A 84 9.688 1.429 -43.385 1.00 30.24 N ATOM 1324 NH2 ARG A 84 10.985 0.118 -44.750 1.00 14.35 N ATOM 0 H ARG A 84 7.821 -4.783 -43.049 1.00 14.24 H new ATOM 0 HA ARG A 84 5.981 -3.842 -41.224 1.00 42.23 H new ATOM 0 HB2 ARG A 84 7.151 -2.646 -43.757 1.00 72.41 H new ATOM 0 HB3 ARG A 84 6.117 -1.722 -42.686 1.00 72.41 H new ATOM 0 HG2 ARG A 84 7.739 -2.270 -40.800 1.00 43.35 H new ATOM 0 HG3 ARG A 84 8.806 -2.960 -42.007 1.00 43.35 H new ATOM 0 HD2 ARG A 84 7.748 -0.177 -42.454 1.00 30.14 H new ATOM 0 HD3 ARG A 84 9.012 -0.406 -41.262 1.00 30.14 H new ATOM 0 HE ARG A 84 9.892 -1.772 -43.557 1.00 24.42 H new ATOM 0 HH11 ARG A 84 8.993 1.517 -42.643 1.00 30.24 H new ATOM 0 HH12 ARG A 84 10.082 2.265 -43.817 1.00 30.24 H new ATOM 0 HH21 ARG A 84 11.290 -0.805 -45.060 1.00 14.35 H new ATOM 0 HH22 ARG A 84 11.377 0.956 -45.180 1.00 14.35 H new ATOM 1338 N GLU A 85 4.684 -4.252 -44.229 1.00 51.11 N ATOM 1339 CA GLU A 85 3.426 -4.340 -44.961 1.00 55.12 C ATOM 1340 C GLU A 85 2.537 -5.438 -44.385 1.00 1.33 C ATOM 1341 O GLU A 85 1.311 -5.319 -44.372 1.00 32.23 O ATOM 1342 CB GLU A 85 3.690 -4.607 -46.444 1.00 75.34 C ATOM 1343 CG GLU A 85 4.580 -3.566 -47.102 1.00 45.21 C ATOM 1344 CD GLU A 85 3.792 -2.546 -47.901 1.00 21.03 C ATOM 1345 OE1 GLU A 85 2.928 -1.867 -47.309 1.00 3.32 O ATOM 1346 OE2 GLU A 85 4.041 -2.428 -49.119 1.00 42.31 O ATOM 0 H GLU A 85 5.510 -4.490 -44.779 1.00 51.11 H new ATOM 0 HA GLU A 85 2.908 -3.386 -44.858 1.00 55.12 H new ATOM 0 HB2 GLU A 85 4.153 -5.588 -46.551 1.00 75.34 H new ATOM 0 HB3 GLU A 85 2.738 -4.645 -46.973 1.00 75.34 H new ATOM 0 HG2 GLU A 85 5.160 -3.052 -46.335 1.00 45.21 H new ATOM 0 HG3 GLU A 85 5.292 -4.065 -47.759 1.00 45.21 H new ATOM 1353 N LEU A 86 3.164 -6.509 -43.909 1.00 22.40 N ATOM 1354 CA LEU A 86 2.431 -7.630 -43.332 1.00 21.33 C ATOM 1355 C LEU A 86 1.808 -7.243 -41.994 1.00 20.32 C ATOM 1356 O LEU A 86 0.702 -7.671 -41.667 1.00 2.34 O ATOM 1357 CB LEU A 86 3.361 -8.831 -43.146 1.00 74.11 C ATOM 1358 CG LEU A 86 3.357 -9.864 -44.273 1.00 10.31 C ATOM 1359 CD1 LEU A 86 1.963 -10.440 -44.464 1.00 65.15 C ATOM 1360 CD2 LEU A 86 3.861 -9.242 -45.567 1.00 0.22 C ATOM 0 H LEU A 86 4.177 -6.624 -43.911 1.00 22.40 H new ATOM 0 HA LEU A 86 1.630 -7.901 -44.020 1.00 21.33 H new ATOM 0 HB2 LEU A 86 4.379 -8.461 -43.023 1.00 74.11 H new ATOM 0 HB3 LEU A 86 3.090 -9.334 -42.218 1.00 74.11 H new ATOM 0 HG LEU A 86 4.029 -10.677 -43.998 1.00 10.31 H new ATOM 0 HD11 LEU A 86 1.980 -11.173 -45.270 1.00 65.15 H new ATOM 0 HD12 LEU A 86 1.639 -10.922 -43.542 1.00 65.15 H new ATOM 0 HD13 LEU A 86 1.270 -9.638 -44.717 1.00 65.15 H new ATOM 0 HD21 LEU A 86 3.852 -9.991 -46.359 1.00 0.22 H new ATOM 0 HD22 LEU A 86 3.215 -8.410 -45.847 1.00 0.22 H new ATOM 0 HD23 LEU A 86 4.879 -8.878 -45.424 1.00 0.22 H new ATOM 1372 N MET A 87 2.526 -6.429 -41.227 1.00 55.22 N ATOM 1373 CA MET A 87 2.041 -5.981 -39.926 1.00 3.41 C ATOM 1374 C MET A 87 0.911 -4.970 -40.086 1.00 3.31 C ATOM 1375 O MET A 87 -0.098 -5.034 -39.382 1.00 33.02 O ATOM 1376 CB MET A 87 3.184 -5.364 -39.118 1.00 13.51 C ATOM 1377 CG MET A 87 4.355 -6.308 -38.902 1.00 72.40 C ATOM 1378 SD MET A 87 3.888 -7.799 -38.002 1.00 23.01 S ATOM 1379 CE MET A 87 3.628 -8.943 -39.356 1.00 34.44 C ATOM 0 H MET A 87 3.444 -6.066 -41.483 1.00 55.22 H new ATOM 0 HA MET A 87 1.654 -6.848 -39.391 1.00 3.41 H new ATOM 0 HB2 MET A 87 3.539 -4.470 -39.631 1.00 13.51 H new ATOM 0 HB3 MET A 87 2.802 -5.045 -38.148 1.00 13.51 H new ATOM 0 HG2 MET A 87 4.774 -6.588 -39.868 1.00 72.40 H new ATOM 0 HG3 MET A 87 5.140 -5.788 -38.353 1.00 72.40 H new ATOM 0 HE1 MET A 87 3.790 -9.963 -39.007 1.00 34.44 H new ATOM 0 HE2 MET A 87 2.607 -8.844 -39.725 1.00 34.44 H new ATOM 0 HE3 MET A 87 4.328 -8.719 -40.161 1.00 34.44 H new ATOM 1389 N LEU A 88 1.085 -4.036 -41.015 1.00 0.04 N ATOM 1390 CA LEU A 88 0.079 -3.010 -41.267 1.00 32.32 C ATOM 1391 C LEU A 88 -1.163 -3.613 -41.916 1.00 31.41 C ATOM 1392 O LEU A 88 -2.285 -3.187 -41.646 1.00 51.04 O ATOM 1393 CB LEU A 88 0.655 -1.913 -42.164 1.00 71.42 C ATOM 1394 CG LEU A 88 0.074 -0.512 -41.968 1.00 15.31 C ATOM 1395 CD1 LEU A 88 -1.408 -0.497 -42.308 1.00 0.02 C ATOM 1396 CD2 LEU A 88 0.301 -0.036 -40.541 1.00 33.15 C ATOM 0 H LEU A 88 1.913 -3.968 -41.606 1.00 0.04 H new ATOM 0 HA LEU A 88 -0.208 -2.575 -40.310 1.00 32.32 H new ATOM 0 HB2 LEU A 88 1.731 -1.865 -41.999 1.00 71.42 H new ATOM 0 HB3 LEU A 88 0.504 -2.205 -43.203 1.00 71.42 H new ATOM 0 HG LEU A 88 0.588 0.172 -42.644 1.00 15.31 H new ATOM 0 HD11 LEU A 88 -1.804 0.508 -42.163 1.00 0.02 H new ATOM 0 HD12 LEU A 88 -1.546 -0.795 -43.347 1.00 0.02 H new ATOM 0 HD13 LEU A 88 -1.938 -1.193 -41.658 1.00 0.02 H new ATOM 0 HD21 LEU A 88 -0.119 0.963 -40.419 1.00 33.15 H new ATOM 0 HD22 LEU A 88 -0.186 -0.721 -39.847 1.00 33.15 H new ATOM 0 HD23 LEU A 88 1.371 -0.008 -40.333 1.00 33.15 H new ATOM 1408 N ALA A 89 -0.953 -4.608 -42.772 1.00 5.24 N ATOM 1409 CA ALA A 89 -2.056 -5.272 -43.456 1.00 72.31 C ATOM 1410 C ALA A 89 -2.758 -6.262 -42.532 1.00 53.31 C ATOM 1411 O ALA A 89 -3.985 -6.270 -42.434 1.00 61.11 O ATOM 1412 CB ALA A 89 -1.553 -5.979 -44.705 1.00 53.34 C ATOM 0 H ALA A 89 -0.030 -4.972 -43.008 1.00 5.24 H new ATOM 0 HA ALA A 89 -2.780 -4.512 -43.749 1.00 72.31 H new ATOM 0 HB1 ALA A 89 -2.387 -6.470 -45.206 1.00 53.34 H new ATOM 0 HB2 ALA A 89 -1.103 -5.250 -45.379 1.00 53.34 H new ATOM 0 HB3 ALA A 89 -0.807 -6.724 -44.426 1.00 53.34 H new ATOM 1418 N GLN A 90 -1.972 -7.096 -41.859 1.00 12.11 N ATOM 1419 CA GLN A 90 -2.520 -8.091 -40.944 1.00 12.45 C ATOM 1420 C GLN A 90 -1.724 -8.131 -39.644 1.00 41.24 C ATOM 1421 O GLN A 90 -0.910 -9.026 -39.414 1.00 10.03 O ATOM 1422 CB GLN A 90 -2.519 -9.473 -41.600 1.00 3.41 C ATOM 1423 CG GLN A 90 -1.200 -9.827 -42.269 1.00 23.53 C ATOM 1424 CD GLN A 90 -1.163 -11.260 -42.762 1.00 74.41 C ATOM 1425 OE1 GLN A 90 -1.362 -12.200 -41.991 1.00 50.25 O ATOM 1426 NE2 GLN A 90 -0.907 -11.436 -44.053 1.00 33.14 N ATOM 0 H GLN A 90 -0.954 -7.103 -41.930 1.00 12.11 H new ATOM 0 HA GLN A 90 -3.547 -7.808 -40.711 1.00 12.45 H new ATOM 0 HB2 GLN A 90 -2.747 -10.225 -40.845 1.00 3.41 H new ATOM 0 HB3 GLN A 90 -3.316 -9.515 -42.342 1.00 3.41 H new ATOM 0 HG2 GLN A 90 -1.030 -9.153 -43.109 1.00 23.53 H new ATOM 0 HG3 GLN A 90 -0.385 -9.668 -41.563 1.00 23.53 H new ATOM 0 HE21 GLN A 90 -0.748 -10.629 -44.656 1.00 33.14 H new ATOM 0 HE22 GLN A 90 -0.869 -12.378 -44.442 1.00 33.14 H new ATOM 1435 N PRO A 91 -1.964 -7.141 -38.772 1.00 51.14 N ATOM 1436 CA PRO A 91 -1.280 -7.042 -37.479 1.00 32.24 C ATOM 1437 C PRO A 91 -1.714 -8.134 -36.508 1.00 54.10 C ATOM 1438 O PRO A 91 -1.129 -8.294 -35.437 1.00 35.34 O ATOM 1439 CB PRO A 91 -1.702 -5.665 -36.959 1.00 71.34 C ATOM 1440 CG PRO A 91 -3.005 -5.391 -37.627 1.00 71.22 C ATOM 1441 CD PRO A 91 -2.922 -6.042 -38.980 1.00 34.13 C ATOM 0 HA PRO A 91 -0.201 -7.163 -37.578 1.00 32.24 H new ATOM 0 HB2 PRO A 91 -1.806 -5.666 -35.874 1.00 71.34 H new ATOM 0 HB3 PRO A 91 -0.962 -4.904 -37.207 1.00 71.34 H new ATOM 0 HG2 PRO A 91 -3.834 -5.799 -37.048 1.00 71.22 H new ATOM 0 HG3 PRO A 91 -3.178 -4.319 -37.720 1.00 71.22 H new ATOM 0 HD2 PRO A 91 -3.893 -6.412 -39.308 1.00 34.13 H new ATOM 0 HD3 PRO A 91 -2.574 -5.344 -39.741 1.00 34.13 H new ATOM 1449 N SER A 92 -2.744 -8.883 -36.889 1.00 20.51 N ATOM 1450 CA SER A 92 -3.259 -9.958 -36.049 1.00 11.34 C ATOM 1451 C SER A 92 -2.210 -11.050 -35.861 1.00 43.02 C ATOM 1452 O SER A 92 -2.322 -11.886 -34.964 1.00 60.53 O ATOM 1453 CB SER A 92 -4.525 -10.554 -36.667 1.00 1.20 C ATOM 1454 OG SER A 92 -4.245 -11.168 -37.913 1.00 33.02 O ATOM 0 H SER A 92 -3.238 -8.765 -37.774 1.00 20.51 H new ATOM 0 HA SER A 92 -3.502 -9.539 -35.073 1.00 11.34 H new ATOM 0 HB2 SER A 92 -4.955 -11.288 -35.985 1.00 1.20 H new ATOM 0 HB3 SER A 92 -5.270 -9.770 -36.804 1.00 1.20 H new ATOM 0 HG SER A 92 -5.070 -11.542 -38.286 1.00 33.02 H new ATOM 1460 N MET A 93 -1.189 -11.035 -36.712 1.00 64.00 N ATOM 1461 CA MET A 93 -0.119 -12.022 -36.639 1.00 11.03 C ATOM 1462 C MET A 93 1.015 -11.529 -35.746 1.00 22.03 C ATOM 1463 O MET A 93 1.878 -12.306 -35.336 1.00 62.52 O ATOM 1464 CB MET A 93 0.416 -12.331 -38.039 1.00 21.24 C ATOM 1465 CG MET A 93 1.260 -11.212 -38.627 1.00 71.33 C ATOM 1466 SD MET A 93 1.517 -11.395 -40.402 1.00 63.23 S ATOM 1467 CE MET A 93 3.153 -12.124 -40.435 1.00 50.03 C ATOM 0 H MET A 93 -1.081 -10.350 -37.460 1.00 64.00 H new ATOM 0 HA MET A 93 -0.529 -12.934 -36.205 1.00 11.03 H new ATOM 0 HB2 MET A 93 1.013 -13.242 -37.998 1.00 21.24 H new ATOM 0 HB3 MET A 93 -0.424 -12.530 -38.705 1.00 21.24 H new ATOM 0 HG2 MET A 93 0.776 -10.255 -38.431 1.00 71.33 H new ATOM 0 HG3 MET A 93 2.227 -11.189 -38.124 1.00 71.33 H new ATOM 0 HE1 MET A 93 3.885 -11.364 -40.708 1.00 50.03 H new ATOM 0 HE2 MET A 93 3.394 -12.522 -39.449 1.00 50.03 H new ATOM 0 HE3 MET A 93 3.177 -12.930 -41.168 1.00 50.03 H new ATOM 1477 N VAL A 94 1.008 -10.234 -35.448 1.00 52.44 N ATOM 1478 CA VAL A 94 2.036 -9.638 -34.603 1.00 10.35 C ATOM 1479 C VAL A 94 2.203 -10.421 -33.306 1.00 43.41 C ATOM 1480 O VAL A 94 1.235 -10.942 -32.753 1.00 40.44 O ATOM 1481 CB VAL A 94 1.704 -8.172 -34.265 1.00 33.42 C ATOM 1482 CG1 VAL A 94 2.751 -7.590 -33.328 1.00 75.05 C ATOM 1483 CG2 VAL A 94 1.595 -7.344 -35.537 1.00 35.21 C ATOM 0 H VAL A 94 0.302 -9.577 -35.779 1.00 52.44 H new ATOM 0 HA VAL A 94 2.968 -9.671 -35.167 1.00 10.35 H new ATOM 0 HB VAL A 94 0.740 -8.143 -33.756 1.00 33.42 H new ATOM 0 HG11 VAL A 94 2.500 -6.554 -33.100 1.00 75.05 H new ATOM 0 HG12 VAL A 94 2.775 -8.169 -32.405 1.00 75.05 H new ATOM 0 HG13 VAL A 94 3.730 -7.629 -33.806 1.00 75.05 H new ATOM 0 HG21 VAL A 94 1.360 -6.311 -35.280 1.00 35.21 H new ATOM 0 HG22 VAL A 94 2.542 -7.377 -36.075 1.00 35.21 H new ATOM 0 HG23 VAL A 94 0.804 -7.749 -36.168 1.00 35.21 H new ATOM 1493 N LYS A 95 3.439 -10.500 -32.825 1.00 21.24 N ATOM 1494 CA LYS A 95 3.736 -11.219 -31.591 1.00 1.24 C ATOM 1495 C LYS A 95 2.806 -10.775 -30.466 1.00 13.35 C ATOM 1496 O LYS A 95 2.300 -9.653 -30.473 1.00 52.22 O ATOM 1497 CB LYS A 95 5.193 -10.992 -31.182 1.00 62.41 C ATOM 1498 CG LYS A 95 5.587 -9.526 -31.122 1.00 12.43 C ATOM 1499 CD LYS A 95 6.852 -9.322 -30.305 1.00 23.31 C ATOM 1500 CE LYS A 95 7.367 -7.896 -30.424 1.00 33.13 C ATOM 1501 NZ LYS A 95 8.839 -7.819 -30.208 1.00 64.41 N ATOM 0 H LYS A 95 4.252 -10.075 -33.271 1.00 21.24 H new ATOM 0 HA LYS A 95 3.578 -12.282 -31.772 1.00 1.24 H new ATOM 0 HB2 LYS A 95 5.362 -11.445 -30.205 1.00 62.41 H new ATOM 0 HB3 LYS A 95 5.844 -11.506 -31.889 1.00 62.41 H new ATOM 0 HG2 LYS A 95 5.741 -9.148 -32.133 1.00 12.43 H new ATOM 0 HG3 LYS A 95 4.773 -8.947 -30.685 1.00 12.43 H new ATOM 0 HD2 LYS A 95 6.652 -9.552 -29.258 1.00 23.31 H new ATOM 0 HD3 LYS A 95 7.621 -10.017 -30.642 1.00 23.31 H new ATOM 0 HE2 LYS A 95 7.124 -7.503 -31.411 1.00 33.13 H new ATOM 0 HE3 LYS A 95 6.859 -7.264 -29.695 1.00 33.13 H new ATOM 0 HZ1 LYS A 95 9.256 -7.157 -30.893 1.00 64.41 H new ATOM 0 HZ2 LYS A 95 9.031 -7.485 -29.242 1.00 64.41 H new ATOM 0 HZ3 LYS A 95 9.259 -8.762 -30.338 1.00 64.41 H new ATOM 1515 N ARG A 96 2.587 -11.662 -29.500 1.00 23.43 N ATOM 1516 CA ARG A 96 1.719 -11.360 -28.369 1.00 52.42 C ATOM 1517 C ARG A 96 1.811 -12.452 -27.307 1.00 73.24 C ATOM 1518 O ARG A 96 2.162 -13.598 -27.589 1.00 25.00 O ATOM 1519 CB ARG A 96 0.270 -11.209 -28.836 1.00 2.41 C ATOM 1520 CG ARG A 96 -0.480 -12.527 -28.930 1.00 32.35 C ATOM 1521 CD ARG A 96 0.187 -13.479 -29.911 1.00 1.31 C ATOM 1522 NE ARG A 96 -0.789 -14.254 -30.672 1.00 4.33 N ATOM 1523 CZ ARG A 96 -0.481 -14.973 -31.745 1.00 22.53 C ATOM 1524 NH1 ARG A 96 0.771 -15.017 -32.181 1.00 21.10 N ATOM 1525 NH2 ARG A 96 -1.425 -15.651 -32.385 1.00 31.42 N ATOM 0 H ARG A 96 2.999 -12.595 -29.479 1.00 23.43 H new ATOM 0 HA ARG A 96 2.051 -10.420 -27.929 1.00 52.42 H new ATOM 0 HB2 ARG A 96 -0.258 -10.549 -28.148 1.00 2.41 H new ATOM 0 HB3 ARG A 96 0.260 -10.725 -29.813 1.00 2.41 H new ATOM 0 HG2 ARG A 96 -0.526 -12.991 -27.945 1.00 32.35 H new ATOM 0 HG3 ARG A 96 -1.507 -12.341 -29.243 1.00 32.35 H new ATOM 0 HD2 ARG A 96 0.814 -12.911 -30.598 1.00 1.31 H new ATOM 0 HD3 ARG A 96 0.844 -14.158 -29.367 1.00 1.31 H new ATOM 0 HE ARG A 96 -1.761 -14.242 -30.362 1.00 4.33 H new ATOM 0 HH11 ARG A 96 1.500 -14.498 -31.692 1.00 21.10 H new ATOM 0 HH12 ARG A 96 1.005 -15.570 -33.005 1.00 21.10 H new ATOM 0 HH21 ARG A 96 -2.389 -15.620 -32.053 1.00 31.42 H new ATOM 0 HH22 ARG A 96 -1.187 -16.203 -33.209 1.00 31.42 H new ATOM 1539 N PRO A 97 1.489 -12.091 -26.056 1.00 5.45 N ATOM 1540 CA PRO A 97 1.070 -10.730 -25.709 1.00 55.21 C ATOM 1541 C PRO A 97 2.215 -9.728 -25.808 1.00 1.12 C ATOM 1542 O PRO A 97 3.377 -10.110 -25.950 1.00 11.34 O ATOM 1543 CB PRO A 97 0.600 -10.863 -24.258 1.00 63.23 C ATOM 1544 CG PRO A 97 1.342 -12.040 -23.726 1.00 53.40 C ATOM 1545 CD PRO A 97 1.509 -12.983 -24.885 1.00 14.11 C ATOM 0 HA PRO A 97 0.304 -10.354 -26.387 1.00 55.21 H new ATOM 0 HB2 PRO A 97 0.823 -9.963 -23.686 1.00 63.23 H new ATOM 0 HB3 PRO A 97 -0.478 -11.017 -24.203 1.00 63.23 H new ATOM 0 HG2 PRO A 97 2.310 -11.742 -23.323 1.00 53.40 H new ATOM 0 HG3 PRO A 97 0.791 -12.514 -22.914 1.00 53.40 H new ATOM 0 HD2 PRO A 97 2.444 -13.539 -24.819 1.00 14.11 H new ATOM 0 HD3 PRO A 97 0.704 -13.717 -24.925 1.00 14.11 H new ATOM 1553 N VAL A 98 1.880 -8.444 -25.732 1.00 75.11 N ATOM 1554 CA VAL A 98 2.881 -7.386 -25.811 1.00 22.51 C ATOM 1555 C VAL A 98 2.759 -6.424 -24.635 1.00 20.24 C ATOM 1556 O VAL A 98 1.661 -5.985 -24.289 1.00 74.34 O ATOM 1557 CB VAL A 98 2.755 -6.592 -27.125 1.00 62.21 C ATOM 1558 CG1 VAL A 98 3.734 -5.428 -27.141 1.00 65.22 C ATOM 1559 CG2 VAL A 98 2.978 -7.504 -28.322 1.00 73.13 C ATOM 0 H VAL A 98 0.923 -8.111 -25.616 1.00 75.11 H new ATOM 0 HA VAL A 98 3.857 -7.871 -25.780 1.00 22.51 H new ATOM 0 HB VAL A 98 1.745 -6.187 -27.189 1.00 62.21 H new ATOM 0 HG11 VAL A 98 3.631 -4.879 -28.077 1.00 65.22 H new ATOM 0 HG12 VAL A 98 3.522 -4.763 -26.304 1.00 65.22 H new ATOM 0 HG13 VAL A 98 4.752 -5.808 -27.054 1.00 65.22 H new ATOM 0 HG21 VAL A 98 2.885 -6.926 -29.242 1.00 73.13 H new ATOM 0 HG22 VAL A 98 3.975 -7.940 -28.266 1.00 73.13 H new ATOM 0 HG23 VAL A 98 2.233 -8.300 -28.317 1.00 73.13 H new ATOM 1569 N LEU A 99 3.892 -6.100 -24.023 1.00 44.10 N ATOM 1570 CA LEU A 99 3.914 -5.188 -22.884 1.00 22.24 C ATOM 1571 C LEU A 99 4.544 -3.853 -23.267 1.00 30.44 C ATOM 1572 O LEU A 99 5.655 -3.809 -23.795 1.00 63.23 O ATOM 1573 CB LEU A 99 4.684 -5.813 -21.720 1.00 31.22 C ATOM 1574 CG LEU A 99 3.914 -6.829 -20.874 1.00 2.12 C ATOM 1575 CD1 LEU A 99 3.553 -8.050 -21.705 1.00 64.20 C ATOM 1576 CD2 LEU A 99 4.729 -7.233 -19.654 1.00 2.44 C ATOM 0 H LEU A 99 4.808 -6.455 -24.296 1.00 44.10 H new ATOM 0 HA LEU A 99 2.884 -5.007 -22.575 1.00 22.24 H new ATOM 0 HB2 LEU A 99 5.573 -6.302 -22.119 1.00 31.22 H new ATOM 0 HB3 LEU A 99 5.028 -5.012 -21.066 1.00 31.22 H new ATOM 0 HG LEU A 99 2.990 -6.363 -20.531 1.00 2.12 H new ATOM 0 HD11 LEU A 99 3.006 -8.762 -21.087 1.00 64.20 H new ATOM 0 HD12 LEU A 99 2.930 -7.746 -22.546 1.00 64.20 H new ATOM 0 HD13 LEU A 99 4.464 -8.518 -22.078 1.00 64.20 H new ATOM 0 HD21 LEU A 99 4.166 -7.956 -19.064 1.00 2.44 H new ATOM 0 HD22 LEU A 99 5.669 -7.681 -19.976 1.00 2.44 H new ATOM 0 HD23 LEU A 99 4.936 -6.352 -19.047 1.00 2.44 H new ATOM 1588 N GLU A 100 3.827 -2.767 -22.997 1.00 64.22 N ATOM 1589 CA GLU A 100 4.318 -1.430 -23.312 1.00 43.31 C ATOM 1590 C GLU A 100 4.570 -0.629 -22.038 1.00 30.33 C ATOM 1591 O GLU A 100 3.663 -0.421 -21.233 1.00 5.33 O ATOM 1592 CB GLU A 100 3.316 -0.692 -24.202 1.00 12.53 C ATOM 1593 CG GLU A 100 3.964 0.290 -25.163 1.00 51.33 C ATOM 1594 CD GLU A 100 3.017 1.392 -25.598 1.00 23.35 C ATOM 1595 OE1 GLU A 100 2.086 1.101 -26.379 1.00 13.23 O ATOM 1596 OE2 GLU A 100 3.206 2.545 -25.157 1.00 3.32 O ATOM 0 H GLU A 100 2.905 -2.786 -22.561 1.00 64.22 H new ATOM 0 HA GLU A 100 5.262 -1.534 -23.848 1.00 43.31 H new ATOM 0 HB2 GLU A 100 2.744 -1.423 -24.773 1.00 12.53 H new ATOM 0 HB3 GLU A 100 2.608 -0.156 -23.570 1.00 12.53 H new ATOM 0 HG2 GLU A 100 4.839 0.734 -24.688 1.00 51.33 H new ATOM 0 HG3 GLU A 100 4.318 -0.248 -26.042 1.00 51.33 H new ATOM 1603 N ARG A 101 5.810 -0.182 -21.864 1.00 4.25 N ATOM 1604 CA ARG A 101 6.183 0.595 -20.688 1.00 32.41 C ATOM 1605 C ARG A 101 7.232 1.646 -21.041 1.00 74.21 C ATOM 1606 O ARG A 101 8.372 1.314 -21.368 1.00 12.55 O ATOM 1607 CB ARG A 101 6.719 -0.327 -19.590 1.00 44.21 C ATOM 1608 CG ARG A 101 5.711 -1.362 -19.119 1.00 1.21 C ATOM 1609 CD ARG A 101 5.924 -1.721 -17.657 1.00 54.35 C ATOM 1610 NE ARG A 101 5.853 -3.163 -17.431 1.00 52.24 N ATOM 1611 CZ ARG A 101 6.771 -4.020 -17.864 1.00 25.22 C ATOM 1612 NH1 ARG A 101 7.824 -3.584 -18.540 1.00 24.34 N ATOM 1613 NH2 ARG A 101 6.636 -5.317 -17.619 1.00 11.44 N ATOM 0 H ARG A 101 6.572 -0.345 -22.522 1.00 4.25 H new ATOM 0 HA ARG A 101 5.291 1.104 -20.322 1.00 32.41 H new ATOM 0 HB2 ARG A 101 7.608 -0.839 -19.959 1.00 44.21 H new ATOM 0 HB3 ARG A 101 7.030 0.278 -18.739 1.00 44.21 H new ATOM 0 HG2 ARG A 101 4.701 -0.977 -19.257 1.00 1.21 H new ATOM 0 HG3 ARG A 101 5.796 -2.260 -19.731 1.00 1.21 H new ATOM 0 HD2 ARG A 101 6.896 -1.350 -17.331 1.00 54.35 H new ATOM 0 HD3 ARG A 101 5.171 -1.221 -17.048 1.00 54.35 H new ATOM 0 HE ARG A 101 5.055 -3.531 -16.913 1.00 52.24 H new ATOM 0 HH11 ARG A 101 7.932 -2.588 -18.729 1.00 24.34 H new ATOM 0 HH12 ARG A 101 8.527 -4.245 -18.871 1.00 24.34 H new ATOM 0 HH21 ARG A 101 5.827 -5.656 -17.098 1.00 11.44 H new ATOM 0 HH22 ARG A 101 7.341 -5.975 -17.952 1.00 11.44 H new ATOM 1627 N ASP A 102 6.838 2.912 -20.974 1.00 73.03 N ATOM 1628 CA ASP A 102 7.744 4.012 -21.286 1.00 63.23 C ATOM 1629 C ASP A 102 8.253 3.907 -22.720 1.00 24.24 C ATOM 1630 O ASP A 102 9.376 4.309 -23.022 1.00 10.42 O ATOM 1631 CB ASP A 102 8.923 4.022 -20.312 1.00 41.13 C ATOM 1632 CG ASP A 102 9.532 5.401 -20.154 1.00 72.41 C ATOM 1633 OD1 ASP A 102 8.843 6.393 -20.468 1.00 51.21 O ATOM 1634 OD2 ASP A 102 10.699 5.488 -19.717 1.00 22.03 O ATOM 0 H ASP A 102 5.898 3.203 -20.707 1.00 73.03 H new ATOM 0 HA ASP A 102 7.191 4.946 -21.184 1.00 63.23 H new ATOM 0 HB2 ASP A 102 8.590 3.662 -19.339 1.00 41.13 H new ATOM 0 HB3 ASP A 102 9.687 3.329 -20.664 1.00 41.13 H new ATOM 1639 N GLY A 103 7.419 3.361 -23.600 1.00 2.43 N ATOM 1640 CA GLY A 103 7.803 3.211 -24.991 1.00 31.54 C ATOM 1641 C GLY A 103 8.409 1.852 -25.282 1.00 30.50 C ATOM 1642 O GLY A 103 8.071 1.214 -26.279 1.00 10.41 O ATOM 0 H GLY A 103 6.485 3.020 -23.374 1.00 2.43 H new ATOM 0 HA2 GLY A 103 6.928 3.358 -25.624 1.00 31.54 H new ATOM 0 HA3 GLY A 103 8.520 3.989 -25.253 1.00 31.54 H new ATOM 1646 N LYS A 104 9.308 1.408 -24.411 1.00 25.14 N ATOM 1647 CA LYS A 104 9.964 0.116 -24.578 1.00 25.34 C ATOM 1648 C LYS A 104 8.936 -1.007 -24.674 1.00 14.23 C ATOM 1649 O LYS A 104 8.101 -1.175 -23.785 1.00 31.24 O ATOM 1650 CB LYS A 104 10.918 -0.149 -23.412 1.00 11.12 C ATOM 1651 CG LYS A 104 11.867 -1.310 -23.655 1.00 33.24 C ATOM 1652 CD LYS A 104 12.825 -1.500 -22.490 1.00 41.15 C ATOM 1653 CE LYS A 104 12.231 -2.405 -21.422 1.00 4.32 C ATOM 1654 NZ LYS A 104 12.302 -3.841 -21.809 1.00 32.45 N ATOM 0 H LYS A 104 9.600 1.924 -23.581 1.00 25.14 H new ATOM 0 HA LYS A 104 10.534 0.143 -25.506 1.00 25.34 H new ATOM 0 HB2 LYS A 104 11.501 0.751 -23.218 1.00 11.12 H new ATOM 0 HB3 LYS A 104 10.334 -0.350 -22.514 1.00 11.12 H new ATOM 0 HG2 LYS A 104 11.293 -2.224 -23.808 1.00 33.24 H new ATOM 0 HG3 LYS A 104 12.434 -1.132 -24.569 1.00 33.24 H new ATOM 0 HD2 LYS A 104 13.760 -1.928 -22.852 1.00 41.15 H new ATOM 0 HD3 LYS A 104 13.066 -0.531 -22.054 1.00 41.15 H new ATOM 0 HE2 LYS A 104 12.763 -2.255 -20.482 1.00 4.32 H new ATOM 0 HE3 LYS A 104 11.192 -2.127 -21.248 1.00 4.32 H new ATOM 0 HZ1 LYS A 104 11.515 -4.359 -21.368 1.00 32.45 H new ATOM 0 HZ2 LYS A 104 12.236 -3.925 -22.843 1.00 32.45 H new ATOM 0 HZ3 LYS A 104 13.205 -4.243 -21.486 1.00 32.45 H new ATOM 1668 N LEU A 105 9.004 -1.774 -25.756 1.00 31.53 N ATOM 1669 CA LEU A 105 8.081 -2.883 -25.967 1.00 20.33 C ATOM 1670 C LEU A 105 8.724 -4.210 -25.574 1.00 75.31 C ATOM 1671 O LEU A 105 9.917 -4.420 -25.789 1.00 23.42 O ATOM 1672 CB LEU A 105 7.637 -2.932 -27.430 1.00 32.41 C ATOM 1673 CG LEU A 105 6.431 -3.820 -27.736 1.00 52.15 C ATOM 1674 CD1 LEU A 105 5.596 -3.219 -28.857 1.00 35.41 C ATOM 1675 CD2 LEU A 105 6.883 -5.227 -28.101 1.00 22.22 C ATOM 0 H LEU A 105 9.689 -1.648 -26.501 1.00 31.53 H new ATOM 0 HA LEU A 105 7.208 -2.722 -25.334 1.00 20.33 H new ATOM 0 HB2 LEU A 105 7.407 -1.917 -27.753 1.00 32.41 H new ATOM 0 HB3 LEU A 105 8.478 -3.275 -28.033 1.00 32.41 H new ATOM 0 HG LEU A 105 5.812 -3.880 -26.841 1.00 52.15 H new ATOM 0 HD11 LEU A 105 4.742 -3.865 -29.061 1.00 35.41 H new ATOM 0 HD12 LEU A 105 5.242 -2.233 -28.558 1.00 35.41 H new ATOM 0 HD13 LEU A 105 6.205 -3.128 -29.756 1.00 35.41 H new ATOM 0 HD21 LEU A 105 6.011 -5.845 -28.316 1.00 22.22 H new ATOM 0 HD22 LEU A 105 7.524 -5.186 -28.981 1.00 22.22 H new ATOM 0 HD23 LEU A 105 7.438 -5.659 -27.268 1.00 22.22 H new ATOM 1687 N MET A 106 7.924 -5.102 -25.000 1.00 74.33 N ATOM 1688 CA MET A 106 8.414 -6.410 -24.581 1.00 20.31 C ATOM 1689 C MET A 106 7.507 -7.522 -25.096 1.00 43.33 C ATOM 1690 O MET A 106 6.302 -7.327 -25.262 1.00 3.02 O ATOM 1691 CB MET A 106 8.509 -6.478 -23.055 1.00 44.33 C ATOM 1692 CG MET A 106 9.575 -7.439 -22.555 1.00 71.01 C ATOM 1693 SD MET A 106 10.204 -6.990 -20.925 1.00 50.21 S ATOM 1694 CE MET A 106 8.768 -7.321 -19.906 1.00 61.54 C ATOM 0 H MET A 106 6.934 -4.943 -24.814 1.00 74.33 H new ATOM 0 HA MET A 106 9.408 -6.551 -25.006 1.00 20.31 H new ATOM 0 HB2 MET A 106 8.719 -5.481 -22.667 1.00 44.33 H new ATOM 0 HB3 MET A 106 7.542 -6.779 -22.652 1.00 44.33 H new ATOM 0 HG2 MET A 106 9.161 -8.447 -22.516 1.00 71.01 H new ATOM 0 HG3 MET A 106 10.401 -7.461 -23.266 1.00 71.01 H new ATOM 0 HE1 MET A 106 8.999 -7.091 -18.866 1.00 61.54 H new ATOM 0 HE2 MET A 106 7.935 -6.701 -20.238 1.00 61.54 H new ATOM 0 HE3 MET A 106 8.495 -8.373 -19.993 1.00 61.54 H new ATOM 1704 N VAL A 107 8.092 -8.689 -25.347 1.00 75.01 N ATOM 1705 CA VAL A 107 7.335 -9.832 -25.843 1.00 61.12 C ATOM 1706 C VAL A 107 6.837 -10.702 -24.693 1.00 44.11 C ATOM 1707 O VAL A 107 7.533 -10.888 -23.696 1.00 61.33 O ATOM 1708 CB VAL A 107 8.183 -10.696 -26.795 1.00 11.11 C ATOM 1709 CG1 VAL A 107 7.326 -11.772 -27.446 1.00 22.41 C ATOM 1710 CG2 VAL A 107 8.852 -9.826 -27.849 1.00 1.13 C ATOM 0 H VAL A 107 9.088 -8.868 -25.215 1.00 75.01 H new ATOM 0 HA VAL A 107 6.481 -9.433 -26.390 1.00 61.12 H new ATOM 0 HB VAL A 107 8.963 -11.188 -26.214 1.00 11.11 H new ATOM 0 HG11 VAL A 107 7.942 -12.373 -28.115 1.00 22.41 H new ATOM 0 HG12 VAL A 107 6.898 -12.412 -26.675 1.00 22.41 H new ATOM 0 HG13 VAL A 107 6.523 -11.303 -28.015 1.00 22.41 H new ATOM 0 HG21 VAL A 107 9.447 -10.452 -28.513 1.00 1.13 H new ATOM 0 HG22 VAL A 107 8.090 -9.305 -28.428 1.00 1.13 H new ATOM 0 HG23 VAL A 107 9.499 -9.097 -27.362 1.00 1.13 H new ATOM 1720 N GLY A 108 5.627 -11.233 -24.841 1.00 3.25 N ATOM 1721 CA GLY A 108 5.057 -12.077 -23.808 1.00 34.24 C ATOM 1722 C GLY A 108 5.869 -13.336 -23.574 1.00 63.12 C ATOM 1723 O GLY A 108 6.471 -13.876 -24.501 1.00 74.34 O ATOM 0 H GLY A 108 5.032 -11.094 -25.658 1.00 3.25 H new ATOM 0 HA2 GLY A 108 4.991 -11.513 -22.878 1.00 34.24 H new ATOM 0 HA3 GLY A 108 4.040 -12.351 -24.087 1.00 34.24 H new ATOM 1727 N PHE A 109 5.886 -13.804 -22.330 1.00 65.53 N ATOM 1728 CA PHE A 109 6.633 -15.005 -21.976 1.00 34.22 C ATOM 1729 C PHE A 109 5.696 -16.099 -21.471 1.00 13.12 C ATOM 1730 O PHE A 109 4.597 -15.819 -20.991 1.00 33.42 O ATOM 1731 CB PHE A 109 7.681 -14.684 -20.908 1.00 43.33 C ATOM 1732 CG PHE A 109 8.739 -13.726 -21.377 1.00 4.44 C ATOM 1733 CD1 PHE A 109 9.549 -14.041 -22.456 1.00 64.54 C ATOM 1734 CD2 PHE A 109 8.924 -12.511 -20.738 1.00 74.21 C ATOM 1735 CE1 PHE A 109 10.523 -13.162 -22.888 1.00 30.44 C ATOM 1736 CE2 PHE A 109 9.897 -11.627 -21.166 1.00 22.11 C ATOM 1737 CZ PHE A 109 10.697 -11.953 -22.243 1.00 13.51 C ATOM 0 H PHE A 109 5.391 -13.370 -21.551 1.00 65.53 H new ATOM 0 HA PHE A 109 7.137 -15.366 -22.873 1.00 34.22 H new ATOM 0 HB2 PHE A 109 7.182 -14.263 -20.035 1.00 43.33 H new ATOM 0 HB3 PHE A 109 8.157 -15.611 -20.587 1.00 43.33 H new ATOM 0 HD1 PHE A 109 9.417 -14.984 -22.965 1.00 64.54 H new ATOM 0 HD2 PHE A 109 8.301 -12.251 -19.895 1.00 74.21 H new ATOM 0 HE1 PHE A 109 11.148 -13.420 -23.730 1.00 30.44 H new ATOM 0 HE2 PHE A 109 10.031 -10.683 -20.659 1.00 22.11 H new ATOM 0 HZ PHE A 109 11.457 -11.264 -22.580 1.00 13.51 H new ATOM 1747 N LYS A 110 6.137 -17.347 -21.585 1.00 53.10 N ATOM 1748 CA LYS A 110 5.341 -18.484 -21.140 1.00 31.01 C ATOM 1749 C LYS A 110 5.107 -18.430 -19.634 1.00 43.41 C ATOM 1750 O LYS A 110 5.820 -17.750 -18.895 1.00 73.41 O ATOM 1751 CB LYS A 110 6.035 -19.796 -21.512 1.00 1.21 C ATOM 1752 CG LYS A 110 5.676 -20.303 -22.898 1.00 30.45 C ATOM 1753 CD LYS A 110 4.845 -21.574 -22.829 1.00 25.15 C ATOM 1754 CE LYS A 110 4.812 -22.292 -24.169 1.00 71.12 C ATOM 1755 NZ LYS A 110 6.064 -23.059 -24.419 1.00 33.33 N ATOM 0 H LYS A 110 7.043 -17.597 -21.982 1.00 53.10 H new ATOM 0 HA LYS A 110 4.374 -18.436 -21.642 1.00 31.01 H new ATOM 0 HB2 LYS A 110 7.114 -19.655 -21.454 1.00 1.21 H new ATOM 0 HB3 LYS A 110 5.773 -20.557 -20.777 1.00 1.21 H new ATOM 0 HG2 LYS A 110 5.122 -19.534 -23.436 1.00 30.45 H new ATOM 0 HG3 LYS A 110 6.588 -20.494 -23.464 1.00 30.45 H new ATOM 0 HD2 LYS A 110 5.257 -22.238 -22.069 1.00 25.15 H new ATOM 0 HD3 LYS A 110 3.828 -21.329 -22.521 1.00 25.15 H new ATOM 0 HE2 LYS A 110 3.959 -22.970 -24.197 1.00 71.12 H new ATOM 0 HE3 LYS A 110 4.666 -21.564 -24.967 1.00 71.12 H new ATOM 0 HZ1 LYS A 110 6.002 -23.534 -25.342 1.00 33.33 H new ATOM 0 HZ2 LYS A 110 6.876 -22.409 -24.418 1.00 33.33 H new ATOM 0 HZ3 LYS A 110 6.190 -23.771 -23.671 1.00 33.33 H new ATOM 1769 N PRO A 111 4.086 -19.163 -19.166 1.00 3.22 N ATOM 1770 CA PRO A 111 3.737 -19.216 -17.743 1.00 31.43 C ATOM 1771 C PRO A 111 4.779 -19.962 -16.918 1.00 53.03 C ATOM 1772 O PRO A 111 5.223 -19.477 -15.877 1.00 72.25 O ATOM 1773 CB PRO A 111 2.406 -19.972 -17.733 1.00 2.05 C ATOM 1774 CG PRO A 111 2.430 -20.798 -18.972 1.00 62.33 C ATOM 1775 CD PRO A 111 3.195 -19.997 -19.989 1.00 71.40 C ATOM 0 HA PRO A 111 3.682 -18.222 -17.299 1.00 31.43 H new ATOM 0 HB2 PRO A 111 2.311 -20.595 -16.844 1.00 2.05 H new ATOM 0 HB3 PRO A 111 1.560 -19.284 -17.732 1.00 2.05 H new ATOM 0 HG2 PRO A 111 2.911 -21.759 -18.791 1.00 62.33 H new ATOM 0 HG3 PRO A 111 1.419 -21.008 -19.321 1.00 62.33 H new ATOM 0 HD2 PRO A 111 3.758 -20.640 -20.666 1.00 71.40 H new ATOM 0 HD3 PRO A 111 2.531 -19.390 -20.604 1.00 71.40 H new ATOM 1783 N ALA A 112 5.167 -21.142 -17.389 1.00 62.44 N ATOM 1784 CA ALA A 112 6.159 -21.954 -16.695 1.00 52.52 C ATOM 1785 C ALA A 112 7.478 -21.201 -16.548 1.00 34.24 C ATOM 1786 O ALA A 112 8.141 -21.290 -15.516 1.00 74.33 O ATOM 1787 CB ALA A 112 6.378 -23.266 -17.433 1.00 45.03 C ATOM 0 H ALA A 112 4.809 -21.558 -18.249 1.00 62.44 H new ATOM 0 HA ALA A 112 5.780 -22.171 -15.696 1.00 52.52 H new ATOM 0 HB1 ALA A 112 7.121 -23.862 -16.903 1.00 45.03 H new ATOM 0 HB2 ALA A 112 5.439 -23.817 -17.482 1.00 45.03 H new ATOM 0 HB3 ALA A 112 6.731 -23.060 -18.444 1.00 45.03 H new ATOM 1793 N GLN A 113 7.851 -20.462 -17.588 1.00 34.25 N ATOM 1794 CA GLN A 113 9.091 -19.696 -17.574 1.00 42.12 C ATOM 1795 C GLN A 113 8.982 -18.501 -16.632 1.00 63.54 C ATOM 1796 O GLN A 113 9.854 -18.279 -15.792 1.00 30.03 O ATOM 1797 CB GLN A 113 9.436 -19.218 -18.986 1.00 62.35 C ATOM 1798 CG GLN A 113 9.511 -20.341 -20.007 1.00 53.13 C ATOM 1799 CD GLN A 113 10.742 -21.209 -19.831 1.00 30.34 C ATOM 1800 OE1 GLN A 113 11.748 -20.773 -19.269 1.00 1.43 O ATOM 1801 NE2 GLN A 113 10.670 -22.444 -20.311 1.00 31.33 N ATOM 0 H GLN A 113 7.312 -20.378 -18.450 1.00 34.25 H new ATOM 0 HA GLN A 113 9.887 -20.348 -17.214 1.00 42.12 H new ATOM 0 HB2 GLN A 113 8.687 -18.494 -19.309 1.00 62.35 H new ATOM 0 HB3 GLN A 113 10.393 -18.697 -18.960 1.00 62.35 H new ATOM 0 HG2 GLN A 113 8.619 -20.962 -19.925 1.00 53.13 H new ATOM 0 HG3 GLN A 113 9.512 -19.915 -21.010 1.00 53.13 H new ATOM 0 HE21 GLN A 113 9.817 -22.764 -20.769 1.00 31.33 H new ATOM 0 HE22 GLN A 113 11.468 -23.073 -20.222 1.00 31.33 H new ATOM 1810 N TYR A 114 7.907 -17.735 -16.778 1.00 74.31 N ATOM 1811 CA TYR A 114 7.686 -16.561 -15.943 1.00 32.54 C ATOM 1812 C TYR A 114 7.733 -16.929 -14.463 1.00 30.52 C ATOM 1813 O TYR A 114 8.318 -16.212 -13.652 1.00 21.43 O ATOM 1814 CB TYR A 114 6.340 -15.917 -16.277 1.00 52.21 C ATOM 1815 CG TYR A 114 6.316 -14.420 -16.069 1.00 71.23 C ATOM 1816 CD1 TYR A 114 7.206 -13.591 -16.741 1.00 2.14 C ATOM 1817 CD2 TYR A 114 5.403 -13.834 -15.201 1.00 72.04 C ATOM 1818 CE1 TYR A 114 7.188 -12.222 -16.552 1.00 70.32 C ATOM 1819 CE2 TYR A 114 5.377 -12.466 -15.008 1.00 0.14 C ATOM 1820 CZ TYR A 114 6.272 -11.665 -15.685 1.00 74.52 C ATOM 1821 OH TYR A 114 6.250 -10.302 -15.496 1.00 24.42 O ATOM 0 H TYR A 114 7.175 -17.906 -17.467 1.00 74.31 H new ATOM 0 HA TYR A 114 8.483 -15.846 -16.147 1.00 32.54 H new ATOM 0 HB2 TYR A 114 6.090 -16.135 -17.315 1.00 52.21 H new ATOM 0 HB3 TYR A 114 5.566 -16.373 -15.660 1.00 52.21 H new ATOM 0 HD1 TYR A 114 7.924 -14.024 -17.422 1.00 2.14 H new ATOM 0 HD2 TYR A 114 4.701 -14.459 -14.668 1.00 72.04 H new ATOM 0 HE1 TYR A 114 7.888 -11.592 -17.081 1.00 70.32 H new ATOM 0 HE2 TYR A 114 4.660 -12.027 -14.331 1.00 0.14 H new ATOM 0 HH TYR A 114 5.545 -10.072 -14.855 1.00 24.42 H new ATOM 1831 N GLU A 115 7.111 -18.053 -14.119 1.00 14.02 N ATOM 1832 CA GLU A 115 7.081 -18.517 -12.737 1.00 22.21 C ATOM 1833 C GLU A 115 8.459 -19.003 -12.297 1.00 15.44 C ATOM 1834 O GLU A 115 8.965 -18.599 -11.250 1.00 4.40 O ATOM 1835 CB GLU A 115 6.056 -19.641 -12.576 1.00 5.22 C ATOM 1836 CG GLU A 115 4.660 -19.264 -13.043 1.00 30.50 C ATOM 1837 CD GLU A 115 3.677 -19.132 -11.896 1.00 42.21 C ATOM 1838 OE1 GLU A 115 4.101 -18.722 -10.795 1.00 54.12 O ATOM 1839 OE2 GLU A 115 2.484 -19.438 -12.100 1.00 14.10 O ATOM 0 H GLU A 115 6.622 -18.658 -14.778 1.00 14.02 H new ATOM 0 HA GLU A 115 6.792 -17.678 -12.104 1.00 22.21 H new ATOM 0 HB2 GLU A 115 6.394 -20.513 -13.136 1.00 5.22 H new ATOM 0 HB3 GLU A 115 6.012 -19.934 -11.527 1.00 5.22 H new ATOM 0 HG2 GLU A 115 4.706 -18.321 -13.588 1.00 30.50 H new ATOM 0 HG3 GLU A 115 4.298 -20.019 -13.741 1.00 30.50 H new ATOM 1846 N ALA A 116 9.059 -19.872 -13.103 1.00 50.22 N ATOM 1847 CA ALA A 116 10.378 -20.412 -12.798 1.00 4.31 C ATOM 1848 C ALA A 116 11.416 -19.299 -12.691 1.00 51.44 C ATOM 1849 O ALA A 116 12.431 -19.448 -12.011 1.00 72.23 O ATOM 1850 CB ALA A 116 10.793 -21.423 -13.857 1.00 54.13 C ATOM 0 H ALA A 116 8.653 -20.217 -13.972 1.00 50.22 H new ATOM 0 HA ALA A 116 10.322 -20.916 -11.833 1.00 4.31 H new ATOM 0 HB1 ALA A 116 11.780 -21.818 -13.616 1.00 54.13 H new ATOM 0 HB2 ALA A 116 10.072 -22.240 -13.883 1.00 54.13 H new ATOM 0 HB3 ALA A 116 10.825 -20.936 -14.832 1.00 54.13 H new ATOM 1856 N TYR A 117 11.154 -18.186 -13.367 1.00 54.32 N ATOM 1857 CA TYR A 117 12.067 -17.050 -13.350 1.00 43.12 C ATOM 1858 C TYR A 117 11.846 -16.192 -12.108 1.00 23.32 C ATOM 1859 O TYR A 117 12.754 -16.006 -11.298 1.00 72.22 O ATOM 1860 CB TYR A 117 11.882 -16.201 -14.609 1.00 24.03 C ATOM 1861 CG TYR A 117 12.850 -15.044 -14.707 1.00 64.05 C ATOM 1862 CD1 TYR A 117 14.184 -15.254 -15.034 1.00 22.44 C ATOM 1863 CD2 TYR A 117 12.430 -13.740 -14.473 1.00 53.14 C ATOM 1864 CE1 TYR A 117 15.072 -14.199 -15.124 1.00 40.30 C ATOM 1865 CE2 TYR A 117 13.311 -12.679 -14.562 1.00 11.13 C ATOM 1866 CZ TYR A 117 14.630 -12.914 -14.888 1.00 14.53 C ATOM 1867 OH TYR A 117 15.511 -11.860 -14.976 1.00 31.20 O ATOM 0 H TYR A 117 10.317 -18.046 -13.933 1.00 54.32 H new ATOM 0 HA TYR A 117 13.086 -17.436 -13.326 1.00 43.12 H new ATOM 0 HB2 TYR A 117 11.999 -16.837 -15.486 1.00 24.03 H new ATOM 0 HB3 TYR A 117 10.863 -15.814 -14.630 1.00 24.03 H new ATOM 0 HD1 TYR A 117 14.533 -16.259 -15.221 1.00 22.44 H new ATOM 0 HD2 TYR A 117 11.398 -13.553 -14.217 1.00 53.14 H new ATOM 0 HE1 TYR A 117 16.106 -14.380 -15.378 1.00 40.30 H new ATOM 0 HE2 TYR A 117 12.968 -11.672 -14.377 1.00 11.13 H new ATOM 0 HH TYR A 117 15.040 -11.023 -14.782 1.00 31.20 H new ATOM 1877 N PHE A 118 10.632 -15.670 -11.966 1.00 14.14 N ATOM 1878 CA PHE A 118 10.290 -14.831 -10.823 1.00 2.10 C ATOM 1879 C PHE A 118 10.474 -15.593 -9.514 1.00 23.32 C ATOM 1880 O PHE A 118 10.711 -14.997 -8.463 1.00 14.34 O ATOM 1881 CB PHE A 118 8.846 -14.338 -10.940 1.00 24.24 C ATOM 1882 CG PHE A 118 8.368 -13.592 -9.728 1.00 65.14 C ATOM 1883 CD1 PHE A 118 9.168 -12.633 -9.127 1.00 41.02 C ATOM 1884 CD2 PHE A 118 7.117 -13.849 -9.189 1.00 55.11 C ATOM 1885 CE1 PHE A 118 8.730 -11.946 -8.011 1.00 73.25 C ATOM 1886 CE2 PHE A 118 6.674 -13.164 -8.073 1.00 41.31 C ATOM 1887 CZ PHE A 118 7.481 -12.211 -7.484 1.00 31.03 C ATOM 0 H PHE A 118 9.869 -15.813 -12.628 1.00 14.14 H new ATOM 0 HA PHE A 118 10.961 -13.972 -10.821 1.00 2.10 H new ATOM 0 HB2 PHE A 118 8.761 -13.690 -11.812 1.00 24.24 H new ATOM 0 HB3 PHE A 118 8.192 -15.192 -11.113 1.00 24.24 H new ATOM 0 HD1 PHE A 118 10.145 -12.420 -9.536 1.00 41.02 H new ATOM 0 HD2 PHE A 118 6.481 -14.593 -9.646 1.00 55.11 H new ATOM 0 HE1 PHE A 118 9.364 -11.202 -7.551 1.00 73.25 H new ATOM 0 HE2 PHE A 118 5.698 -13.374 -7.662 1.00 41.31 H new ATOM 0 HZ PHE A 118 7.136 -11.674 -6.613 1.00 31.03 H new ATOM 1897 N LYS A 119 10.363 -16.915 -9.586 1.00 45.31 N ATOM 1898 CA LYS A 119 10.518 -17.761 -8.408 1.00 73.12 C ATOM 1899 C LYS A 119 11.875 -17.534 -7.749 1.00 53.44 C ATOM 1900 O LYS A 119 12.858 -17.221 -8.422 1.00 11.14 O ATOM 1901 CB LYS A 119 10.365 -19.235 -8.790 1.00 41.45 C ATOM 1902 CG LYS A 119 10.662 -20.193 -7.649 1.00 3.34 C ATOM 1903 CD LYS A 119 9.853 -21.474 -7.772 1.00 40.53 C ATOM 1904 CE LYS A 119 9.913 -22.296 -6.493 1.00 22.25 C ATOM 1905 NZ LYS A 119 11.050 -23.257 -6.506 1.00 11.40 N ATOM 0 H LYS A 119 10.166 -17.424 -10.448 1.00 45.31 H new ATOM 0 HA LYS A 119 9.738 -17.494 -7.695 1.00 73.12 H new ATOM 0 HB2 LYS A 119 9.348 -19.407 -9.142 1.00 41.45 H new ATOM 0 HB3 LYS A 119 11.032 -19.457 -9.623 1.00 41.45 H new ATOM 0 HG2 LYS A 119 11.725 -20.432 -7.641 1.00 3.34 H new ATOM 0 HG3 LYS A 119 10.437 -19.709 -6.698 1.00 3.34 H new ATOM 0 HD2 LYS A 119 8.816 -21.230 -8.001 1.00 40.53 H new ATOM 0 HD3 LYS A 119 10.232 -22.066 -8.605 1.00 40.53 H new ATOM 0 HE2 LYS A 119 10.011 -21.629 -5.637 1.00 22.25 H new ATOM 0 HE3 LYS A 119 8.978 -22.841 -6.367 1.00 22.25 H new ATOM 0 HZ1 LYS A 119 11.057 -23.798 -5.618 1.00 11.40 H new ATOM 0 HZ2 LYS A 119 10.944 -23.910 -7.309 1.00 11.40 H new ATOM 0 HZ3 LYS A 119 11.945 -22.735 -6.600 1.00 11.40 H new ATOM 1919 N LEU A 120 11.922 -17.695 -6.432 1.00 51.43 N ATOM 1920 CA LEU A 120 13.159 -17.509 -5.682 1.00 62.11 C ATOM 1921 C LEU A 120 13.904 -18.831 -5.522 1.00 51.03 C ATOM 1922 O LEU A 120 15.128 -18.855 -5.399 1.00 22.42 O ATOM 1923 CB LEU A 120 12.860 -16.910 -4.306 1.00 40.12 C ATOM 1924 CG LEU A 120 12.891 -15.383 -4.218 1.00 62.42 C ATOM 1925 CD1 LEU A 120 11.594 -14.792 -4.749 1.00 62.14 C ATOM 1926 CD2 LEU A 120 13.135 -14.937 -2.784 1.00 30.24 C ATOM 0 H LEU A 120 11.118 -17.954 -5.861 1.00 51.43 H new ATOM 0 HA LEU A 120 13.793 -16.821 -6.241 1.00 62.11 H new ATOM 0 HB2 LEU A 120 11.875 -17.252 -3.989 1.00 40.12 H new ATOM 0 HB3 LEU A 120 13.581 -17.310 -3.593 1.00 40.12 H new ATOM 0 HG LEU A 120 13.712 -15.018 -4.835 1.00 62.42 H new ATOM 0 HD11 LEU A 120 11.634 -13.705 -4.679 1.00 62.14 H new ATOM 0 HD12 LEU A 120 11.461 -15.084 -5.791 1.00 62.14 H new ATOM 0 HD13 LEU A 120 10.756 -15.163 -4.159 1.00 62.14 H new ATOM 0 HD21 LEU A 120 13.154 -13.848 -2.740 1.00 30.24 H new ATOM 0 HD22 LEU A 120 12.335 -15.312 -2.145 1.00 30.24 H new ATOM 0 HD23 LEU A 120 14.091 -15.331 -2.438 1.00 30.24 H new TER 1938 LEU A 120