USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 579 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 NoAdj : A 143 ASNHD21 : A 143 ASN OD1 : A 2 CACA :(metal ligand) USER MOD NoAdj : A 143 ASNHD22 : A 143 ASN OD1 : A 2 CACA :(metal ligand) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= -0.77 USER MOD Single : A 103 MET CE :methyl 156:sc= -0.0126 (180deg=-1.01) USER MOD Single : A 106 LYS NZ :NH3+ -142:sc= -0.271 (180deg=-2.04!) USER MOD Single : A 107 ASN : amide:sc= -5.9! C(o=-5.9!,f=-8.1!) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 MET CE :methyl 176:sc= -0.308 (180deg=-0.362) USER MOD Single : A 122 GLN :FLIP amide:sc= -0.639 F(o=-1.6!,f=-0.64) USER MOD Single : A 124 THR OG1 : rot -50:sc= 0.288 USER MOD Single : A 127 THR OG1 : rot 180:sc= 0 USER MOD Single : A 129 THR OG1 : rot 180:sc= -0.217 USER MOD Single : A 137 MET CE :methyl 139:sc= -2.35! (180deg=-5.94!) USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 LYS NZ :NH3+ -123:sc= 0 (180deg=-0.0274) USER MOD Single : A 144 ASN :FLIP amide:sc= -0.0136 F(o=-0.62,f=-0.014) USER MOD Single : A 150 TYR OH : rot 180:sc= -0.472 USER MOD Single : A 157 MET CE :methyl -165:sc= -1.54 (180deg=-2.69!) USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 86 47.649 -14.375 -7.360 1.00 7.24 N ATOM 2 CA LYS A 86 47.420 -13.827 -5.992 1.00 7.10 C ATOM 3 C LYS A 86 47.875 -12.366 -5.925 1.00 6.94 C ATOM 4 O LYS A 86 48.342 -11.807 -6.898 1.00 7.49 O ATOM 5 CB LYS A 86 48.273 -14.698 -5.068 1.00 7.61 C ATOM 6 CG LYS A 86 47.404 -15.245 -3.935 1.00 8.01 C ATOM 7 CD LYS A 86 46.973 -16.675 -4.266 1.00 8.72 C ATOM 8 CE LYS A 86 45.780 -17.067 -3.392 1.00 9.14 C ATOM 9 NZ LYS A 86 45.681 -18.548 -3.518 1.00 9.95 N ATOM 0 HA LYS A 86 46.367 -13.845 -5.711 1.00 7.10 H new ATOM 0 HB2 LYS A 86 48.714 -15.520 -5.631 1.00 7.61 H new ATOM 0 HB3 LYS A 86 49.097 -14.114 -4.659 1.00 7.61 H new ATOM 0 HG2 LYS A 86 47.959 -15.229 -2.997 1.00 8.01 H new ATOM 0 HG3 LYS A 86 46.527 -14.612 -3.797 1.00 8.01 H new ATOM 0 HD2 LYS A 86 46.705 -16.750 -5.320 1.00 8.72 H new ATOM 0 HD3 LYS A 86 47.801 -17.363 -4.098 1.00 8.72 H new ATOM 0 HE2 LYS A 86 45.935 -16.768 -2.355 1.00 9.14 H new ATOM 0 HE3 LYS A 86 44.866 -16.580 -3.731 1.00 9.14 H new ATOM 0 HZ1 LYS A 86 44.884 -18.893 -2.946 1.00 9.95 H new ATOM 0 HZ2 LYS A 86 45.527 -18.802 -4.515 1.00 9.95 H new ATOM 0 HZ3 LYS A 86 46.563 -18.985 -3.182 1.00 9.95 H new ATOM 25 N ASP A 87 47.744 -11.746 -4.784 1.00 6.50 N ATOM 26 CA ASP A 87 48.170 -10.323 -4.657 1.00 6.70 C ATOM 27 C ASP A 87 49.131 -10.163 -3.476 1.00 6.03 C ATOM 28 O ASP A 87 49.480 -9.065 -3.091 1.00 6.49 O ATOM 29 CB ASP A 87 46.878 -9.542 -4.409 1.00 7.25 C ATOM 30 CG ASP A 87 46.868 -8.281 -5.274 1.00 7.77 C ATOM 31 OD1 ASP A 87 47.513 -7.318 -4.891 1.00 8.06 O ATOM 32 OD2 ASP A 87 46.217 -8.298 -6.306 1.00 8.12 O ATOM 0 H ASP A 87 47.361 -12.162 -3.935 1.00 6.50 H new ATOM 0 HA ASP A 87 48.695 -9.968 -5.544 1.00 6.70 H new ATOM 0 HB2 ASP A 87 46.014 -10.164 -4.644 1.00 7.25 H new ATOM 0 HB3 ASP A 87 46.800 -9.273 -3.356 1.00 7.25 H new ATOM 37 N ASP A 88 49.564 -11.252 -2.901 1.00 5.23 N ATOM 38 CA ASP A 88 50.505 -11.163 -1.747 1.00 5.00 C ATOM 39 C ASP A 88 51.891 -11.668 -2.156 1.00 4.51 C ATOM 40 O ASP A 88 52.903 -11.160 -1.715 1.00 4.82 O ATOM 41 CB ASP A 88 49.902 -12.066 -0.671 1.00 5.14 C ATOM 42 CG ASP A 88 48.647 -11.407 -0.094 1.00 5.52 C ATOM 43 OD1 ASP A 88 48.652 -10.195 0.049 1.00 5.85 O ATOM 44 OD2 ASP A 88 47.704 -12.124 0.193 1.00 5.82 O ATOM 0 H ASP A 88 49.307 -12.199 -3.180 1.00 5.23 H new ATOM 0 HA ASP A 88 50.630 -10.139 -1.395 1.00 5.00 H new ATOM 0 HB2 ASP A 88 49.652 -13.038 -1.096 1.00 5.14 H new ATOM 0 HB3 ASP A 88 50.630 -12.242 0.121 1.00 5.14 H new ATOM 49 N SER A 89 51.943 -12.664 -2.997 1.00 4.24 N ATOM 50 CA SER A 89 53.264 -13.201 -3.436 1.00 4.26 C ATOM 51 C SER A 89 54.093 -13.620 -2.220 1.00 3.50 C ATOM 52 O SER A 89 55.168 -13.105 -1.981 1.00 3.81 O ATOM 53 CB SER A 89 53.938 -12.043 -4.172 1.00 5.08 C ATOM 54 OG SER A 89 53.595 -12.100 -5.550 1.00 5.76 O ATOM 0 H SER A 89 51.129 -13.129 -3.399 1.00 4.24 H new ATOM 0 HA SER A 89 53.162 -14.082 -4.070 1.00 4.26 H new ATOM 0 HB2 SER A 89 53.620 -11.092 -3.745 1.00 5.08 H new ATOM 0 HB3 SER A 89 55.020 -12.101 -4.052 1.00 5.08 H new ATOM 0 HG SER A 89 54.024 -11.358 -6.025 1.00 5.76 H new ATOM 60 N LYS A 90 53.601 -14.549 -1.448 1.00 3.10 N ATOM 61 CA LYS A 90 54.361 -14.999 -0.247 1.00 3.08 C ATOM 62 C LYS A 90 55.843 -15.169 -0.592 1.00 2.72 C ATOM 63 O LYS A 90 56.211 -15.308 -1.742 1.00 3.21 O ATOM 64 CB LYS A 90 53.742 -16.344 0.132 1.00 3.94 C ATOM 65 CG LYS A 90 53.134 -16.250 1.533 1.00 4.74 C ATOM 66 CD LYS A 90 53.800 -17.276 2.451 1.00 5.61 C ATOM 67 CE LYS A 90 54.943 -16.608 3.219 1.00 6.53 C ATOM 68 NZ LYS A 90 54.809 -17.104 4.618 1.00 7.32 N ATOM 0 H LYS A 90 52.706 -15.016 -1.596 1.00 3.10 H new ATOM 0 HA LYS A 90 54.306 -14.280 0.570 1.00 3.08 H new ATOM 0 HB2 LYS A 90 52.974 -16.620 -0.591 1.00 3.94 H new ATOM 0 HB3 LYS A 90 54.501 -17.126 0.105 1.00 3.94 H new ATOM 0 HG2 LYS A 90 53.271 -15.246 1.933 1.00 4.74 H new ATOM 0 HG3 LYS A 90 52.060 -16.431 1.487 1.00 4.74 H new ATOM 0 HD2 LYS A 90 53.069 -17.684 3.149 1.00 5.61 H new ATOM 0 HD3 LYS A 90 54.182 -18.111 1.864 1.00 5.61 H new ATOM 0 HE2 LYS A 90 55.912 -16.875 2.797 1.00 6.53 H new ATOM 0 HE3 LYS A 90 54.865 -15.522 3.176 1.00 6.53 H new ATOM 0 HZ1 LYS A 90 55.559 -16.689 5.207 1.00 7.32 H new ATOM 0 HZ2 LYS A 90 53.880 -16.829 4.996 1.00 7.32 H new ATOM 0 HZ3 LYS A 90 54.894 -18.140 4.628 1.00 7.32 H new ATOM 82 N GLY A 91 56.695 -15.158 0.395 1.00 2.57 N ATOM 83 CA GLY A 91 58.152 -15.320 0.124 1.00 2.96 C ATOM 84 C GLY A 91 58.796 -13.943 -0.055 1.00 2.68 C ATOM 85 O GLY A 91 58.468 -13.208 -0.966 1.00 2.94 O ATOM 0 H GLY A 91 56.446 -15.044 1.378 1.00 2.57 H new ATOM 0 HA2 GLY A 91 58.629 -15.852 0.948 1.00 2.96 H new ATOM 0 HA3 GLY A 91 58.301 -15.922 -0.772 1.00 2.96 H new ATOM 89 N LYS A 92 59.710 -13.588 0.807 1.00 2.54 N ATOM 90 CA LYS A 92 60.374 -12.260 0.685 1.00 2.34 C ATOM 91 C LYS A 92 61.720 -12.274 1.416 1.00 2.22 C ATOM 92 O LYS A 92 61.778 -12.337 2.628 1.00 2.57 O ATOM 93 CB LYS A 92 59.413 -11.274 1.350 1.00 2.51 C ATOM 94 CG LYS A 92 59.802 -9.844 0.970 1.00 2.46 C ATOM 95 CD LYS A 92 60.410 -9.141 2.184 1.00 2.69 C ATOM 96 CE LYS A 92 59.369 -8.212 2.809 1.00 2.82 C ATOM 97 NZ LYS A 92 58.797 -8.988 3.944 1.00 3.39 N ATOM 0 H LYS A 92 60.025 -14.161 1.590 1.00 2.54 H new ATOM 0 HA LYS A 92 60.578 -11.993 -0.352 1.00 2.34 H new ATOM 0 HB2 LYS A 92 58.390 -11.479 1.035 1.00 2.51 H new ATOM 0 HB3 LYS A 92 59.444 -11.395 2.433 1.00 2.51 H new ATOM 0 HG2 LYS A 92 60.517 -9.857 0.148 1.00 2.46 H new ATOM 0 HG3 LYS A 92 58.925 -9.298 0.621 1.00 2.46 H new ATOM 0 HD2 LYS A 92 60.742 -9.878 2.916 1.00 2.69 H new ATOM 0 HD3 LYS A 92 61.289 -8.570 1.885 1.00 2.69 H new ATOM 0 HE2 LYS A 92 59.824 -7.284 3.154 1.00 2.82 H new ATOM 0 HE3 LYS A 92 58.598 -7.940 2.088 1.00 2.82 H new ATOM 0 HZ1 LYS A 92 58.073 -8.417 4.425 1.00 3.39 H new ATOM 0 HZ2 LYS A 92 58.365 -9.863 3.584 1.00 3.39 H new ATOM 0 HZ3 LYS A 92 59.553 -9.227 4.617 1.00 3.39 H new ATOM 111 N THR A 93 62.802 -12.219 0.689 1.00 1.93 N ATOM 112 CA THR A 93 64.142 -12.231 1.344 1.00 1.88 C ATOM 113 C THR A 93 65.072 -11.219 0.668 1.00 1.62 C ATOM 114 O THR A 93 64.666 -10.474 -0.201 1.00 1.47 O ATOM 115 CB THR A 93 64.666 -13.654 1.144 1.00 1.99 C ATOM 116 OG1 THR A 93 64.859 -13.894 -0.243 1.00 2.05 O ATOM 117 CG2 THR A 93 63.654 -14.656 1.701 1.00 2.53 C ATOM 0 H THR A 93 62.817 -12.166 -0.330 1.00 1.93 H new ATOM 0 HA THR A 93 64.088 -11.958 2.398 1.00 1.88 H new ATOM 0 HB THR A 93 65.614 -13.770 1.669 1.00 1.99 H new ATOM 0 HG1 THR A 93 65.196 -14.805 -0.374 1.00 2.05 H new ATOM 0 HG21 THR A 93 64.029 -15.669 1.558 1.00 2.53 H new ATOM 0 HG22 THR A 93 63.506 -14.471 2.765 1.00 2.53 H new ATOM 0 HG23 THR A 93 62.704 -14.543 1.178 1.00 2.53 H new ATOM 125 N GLU A 94 66.316 -11.189 1.060 1.00 1.64 N ATOM 126 CA GLU A 94 67.269 -10.228 0.436 1.00 1.49 C ATOM 127 C GLU A 94 67.231 -10.366 -1.088 1.00 1.41 C ATOM 128 O GLU A 94 67.615 -9.470 -1.812 1.00 1.36 O ATOM 129 CB GLU A 94 68.643 -10.626 0.978 1.00 1.64 C ATOM 130 CG GLU A 94 69.736 -9.948 0.149 1.00 1.85 C ATOM 131 CD GLU A 94 71.077 -10.072 0.874 1.00 2.27 C ATOM 132 OE1 GLU A 94 71.097 -10.656 1.946 1.00 2.83 O ATOM 133 OE2 GLU A 94 72.061 -9.582 0.346 1.00 2.65 O ATOM 0 H GLU A 94 66.713 -11.787 1.784 1.00 1.64 H new ATOM 0 HA GLU A 94 67.025 -9.191 0.668 1.00 1.49 H new ATOM 0 HB2 GLU A 94 68.731 -10.333 2.024 1.00 1.64 H new ATOM 0 HB3 GLU A 94 68.761 -11.709 0.939 1.00 1.64 H new ATOM 0 HG2 GLU A 94 69.799 -10.410 -0.836 1.00 1.85 H new ATOM 0 HG3 GLU A 94 69.490 -8.897 -0.007 1.00 1.85 H new ATOM 140 N GLU A 95 66.768 -11.483 -1.577 1.00 1.47 N ATOM 141 CA GLU A 95 66.704 -11.682 -3.053 1.00 1.49 C ATOM 142 C GLU A 95 65.440 -11.029 -3.619 1.00 1.39 C ATOM 143 O GLU A 95 65.495 -10.245 -4.545 1.00 1.40 O ATOM 144 CB GLU A 95 66.658 -13.197 -3.247 1.00 1.68 C ATOM 145 CG GLU A 95 67.967 -13.817 -2.750 1.00 2.03 C ATOM 146 CD GLU A 95 68.627 -14.599 -3.886 1.00 2.24 C ATOM 147 OE1 GLU A 95 69.221 -13.970 -4.747 1.00 2.56 O ATOM 148 OE2 GLU A 95 68.530 -15.815 -3.876 1.00 2.72 O ATOM 0 H GLU A 95 66.431 -12.267 -1.018 1.00 1.47 H new ATOM 0 HA GLU A 95 67.552 -11.232 -3.568 1.00 1.49 H new ATOM 0 HB2 GLU A 95 65.814 -13.618 -2.701 1.00 1.68 H new ATOM 0 HB3 GLU A 95 66.508 -13.435 -4.300 1.00 1.68 H new ATOM 0 HG2 GLU A 95 68.639 -13.036 -2.394 1.00 2.03 H new ATOM 0 HG3 GLU A 95 67.771 -14.478 -1.906 1.00 2.03 H new ATOM 155 N GLU A 96 64.300 -11.348 -3.070 1.00 1.38 N ATOM 156 CA GLU A 96 63.035 -10.745 -3.578 1.00 1.34 C ATOM 157 C GLU A 96 62.974 -9.259 -3.210 1.00 1.16 C ATOM 158 O GLU A 96 62.115 -8.533 -3.667 1.00 1.07 O ATOM 159 CB GLU A 96 61.916 -11.517 -2.880 1.00 1.51 C ATOM 160 CG GLU A 96 61.141 -12.337 -3.914 1.00 2.07 C ATOM 161 CD GLU A 96 59.858 -11.598 -4.293 1.00 2.19 C ATOM 162 OE1 GLU A 96 59.962 -10.533 -4.881 1.00 2.61 O ATOM 163 OE2 GLU A 96 58.792 -12.107 -3.989 1.00 2.60 O ATOM 0 H GLU A 96 64.190 -11.999 -2.293 1.00 1.38 H new ATOM 0 HA GLU A 96 62.955 -10.808 -4.663 1.00 1.34 H new ATOM 0 HB2 GLU A 96 62.334 -12.174 -2.118 1.00 1.51 H new ATOM 0 HB3 GLU A 96 61.245 -10.825 -2.371 1.00 1.51 H new ATOM 0 HG2 GLU A 96 61.755 -12.499 -4.800 1.00 2.07 H new ATOM 0 HG3 GLU A 96 60.901 -13.320 -3.509 1.00 2.07 H new ATOM 170 N LEU A 97 63.881 -8.804 -2.389 1.00 1.14 N ATOM 171 CA LEU A 97 63.875 -7.367 -1.995 1.00 0.99 C ATOM 172 C LEU A 97 64.420 -6.506 -3.138 1.00 0.82 C ATOM 173 O LEU A 97 63.856 -5.486 -3.482 1.00 0.70 O ATOM 174 CB LEU A 97 64.794 -7.283 -0.776 1.00 1.03 C ATOM 175 CG LEU A 97 64.006 -7.642 0.484 1.00 1.31 C ATOM 176 CD1 LEU A 97 64.893 -7.447 1.714 1.00 1.57 C ATOM 177 CD2 LEU A 97 62.778 -6.736 0.592 1.00 1.71 C ATOM 0 H LEU A 97 64.625 -9.365 -1.975 1.00 1.14 H new ATOM 0 HA LEU A 97 62.872 -7.004 -1.772 1.00 0.99 H new ATOM 0 HB2 LEU A 97 65.638 -7.963 -0.896 1.00 1.03 H new ATOM 0 HB3 LEU A 97 65.205 -6.278 -0.686 1.00 1.03 H new ATOM 0 HG LEU A 97 63.687 -8.683 0.428 1.00 1.31 H new ATOM 0 HD11 LEU A 97 64.331 -7.703 2.612 1.00 1.57 H new ATOM 0 HD12 LEU A 97 65.768 -8.092 1.637 1.00 1.57 H new ATOM 0 HD13 LEU A 97 65.213 -6.407 1.771 1.00 1.57 H new ATOM 0 HD21 LEU A 97 62.215 -6.991 1.490 1.00 1.71 H new ATOM 0 HD22 LEU A 97 63.097 -5.695 0.647 1.00 1.71 H new ATOM 0 HD23 LEU A 97 62.145 -6.875 -0.284 1.00 1.71 H new ATOM 189 N SER A 98 65.510 -6.910 -3.729 1.00 0.87 N ATOM 190 CA SER A 98 66.087 -6.115 -4.850 1.00 0.78 C ATOM 191 C SER A 98 65.027 -5.888 -5.930 1.00 0.75 C ATOM 192 O SER A 98 64.839 -4.785 -6.407 1.00 0.74 O ATOM 193 CB SER A 98 67.232 -6.970 -5.391 1.00 0.93 C ATOM 194 OG SER A 98 66.795 -8.317 -5.513 1.00 1.41 O ATOM 0 H SER A 98 66.026 -7.755 -3.485 1.00 0.87 H new ATOM 0 HA SER A 98 66.431 -5.132 -4.530 1.00 0.78 H new ATOM 0 HB2 SER A 98 67.557 -6.592 -6.360 1.00 0.93 H new ATOM 0 HB3 SER A 98 68.091 -6.913 -4.722 1.00 0.93 H new ATOM 0 HG SER A 98 67.527 -8.868 -5.861 1.00 1.41 H new ATOM 200 N ASP A 99 64.330 -6.920 -6.319 1.00 0.80 N ATOM 201 CA ASP A 99 63.281 -6.761 -7.366 1.00 0.82 C ATOM 202 C ASP A 99 62.146 -5.877 -6.844 1.00 0.77 C ATOM 203 O ASP A 99 61.441 -5.241 -7.603 1.00 0.77 O ATOM 204 CB ASP A 99 62.775 -8.177 -7.643 1.00 0.93 C ATOM 205 CG ASP A 99 63.553 -8.778 -8.815 1.00 1.45 C ATOM 206 OD1 ASP A 99 64.157 -8.017 -9.553 1.00 1.92 O ATOM 207 OD2 ASP A 99 63.533 -9.990 -8.954 1.00 2.18 O ATOM 0 H ASP A 99 64.441 -7.867 -5.957 1.00 0.80 H new ATOM 0 HA ASP A 99 63.667 -6.285 -8.268 1.00 0.82 H new ATOM 0 HB2 ASP A 99 62.897 -8.798 -6.756 1.00 0.93 H new ATOM 0 HB3 ASP A 99 61.710 -8.155 -7.873 1.00 0.93 H new ATOM 212 N LEU A 100 61.964 -5.831 -5.553 1.00 0.77 N ATOM 213 CA LEU A 100 60.875 -4.986 -4.983 1.00 0.77 C ATOM 214 C LEU A 100 61.244 -3.505 -5.094 1.00 0.64 C ATOM 215 O LEU A 100 60.410 -2.666 -5.367 1.00 0.64 O ATOM 216 CB LEU A 100 60.774 -5.407 -3.515 1.00 0.85 C ATOM 217 CG LEU A 100 59.650 -6.431 -3.354 1.00 1.16 C ATOM 218 CD1 LEU A 100 59.501 -6.796 -1.876 1.00 1.54 C ATOM 219 CD2 LEU A 100 58.338 -5.832 -3.865 1.00 1.57 C ATOM 0 H LEU A 100 62.521 -6.341 -4.868 1.00 0.77 H new ATOM 0 HA LEU A 100 59.930 -5.118 -5.510 1.00 0.77 H new ATOM 0 HB2 LEU A 100 61.720 -5.834 -3.182 1.00 0.85 H new ATOM 0 HB3 LEU A 100 60.580 -4.536 -2.889 1.00 0.85 H new ATOM 0 HG LEU A 100 59.889 -7.326 -3.928 1.00 1.16 H new ATOM 0 HD11 LEU A 100 58.700 -7.526 -1.760 1.00 1.54 H new ATOM 0 HD12 LEU A 100 60.435 -7.222 -1.510 1.00 1.54 H new ATOM 0 HD13 LEU A 100 59.261 -5.901 -1.302 1.00 1.54 H new ATOM 0 HD21 LEU A 100 57.536 -6.561 -3.751 1.00 1.57 H new ATOM 0 HD22 LEU A 100 58.099 -4.937 -3.291 1.00 1.57 H new ATOM 0 HD23 LEU A 100 58.443 -5.571 -4.918 1.00 1.57 H new ATOM 231 N PHE A 101 62.492 -3.178 -4.887 1.00 0.60 N ATOM 232 CA PHE A 101 62.916 -1.752 -4.985 1.00 0.53 C ATOM 233 C PHE A 101 62.733 -1.245 -6.418 1.00 0.49 C ATOM 234 O PHE A 101 62.286 -0.137 -6.644 1.00 0.61 O ATOM 235 CB PHE A 101 64.395 -1.752 -4.601 1.00 0.57 C ATOM 236 CG PHE A 101 64.936 -0.345 -4.681 1.00 0.46 C ATOM 237 CD1 PHE A 101 65.195 0.235 -5.930 1.00 1.23 C ATOM 238 CD2 PHE A 101 65.179 0.381 -3.509 1.00 1.31 C ATOM 239 CE1 PHE A 101 65.696 1.540 -6.005 1.00 1.23 C ATOM 240 CE2 PHE A 101 65.680 1.686 -3.584 1.00 1.30 C ATOM 241 CZ PHE A 101 65.938 2.266 -4.831 1.00 0.40 C ATOM 0 H PHE A 101 63.235 -3.837 -4.654 1.00 0.60 H new ATOM 0 HA PHE A 101 62.328 -1.100 -4.339 1.00 0.53 H new ATOM 0 HB2 PHE A 101 64.520 -2.144 -3.592 1.00 0.57 H new ATOM 0 HB3 PHE A 101 64.955 -2.407 -5.269 1.00 0.57 H new ATOM 0 HD1 PHE A 101 65.008 -0.325 -6.835 1.00 1.23 H new ATOM 0 HD2 PHE A 101 64.980 -0.066 -2.546 1.00 1.31 H new ATOM 0 HE1 PHE A 101 65.896 1.987 -6.967 1.00 1.23 H new ATOM 0 HE2 PHE A 101 65.867 2.245 -2.679 1.00 1.30 H new ATOM 0 HZ PHE A 101 66.324 3.273 -4.889 1.00 0.40 H new ATOM 251 N ARG A 102 63.078 -2.047 -7.388 1.00 0.53 N ATOM 252 CA ARG A 102 62.927 -1.613 -8.807 1.00 0.70 C ATOM 253 C ARG A 102 61.462 -1.711 -9.240 1.00 0.80 C ATOM 254 O ARG A 102 61.033 -1.052 -10.167 1.00 1.09 O ATOM 255 CB ARG A 102 63.792 -2.583 -9.611 1.00 0.87 C ATOM 256 CG ARG A 102 65.252 -2.451 -9.171 1.00 1.28 C ATOM 257 CD ARG A 102 66.132 -2.175 -10.392 1.00 1.83 C ATOM 258 NE ARG A 102 67.027 -1.058 -9.978 1.00 2.26 N ATOM 259 CZ ARG A 102 67.881 -0.557 -10.828 1.00 2.89 C ATOM 260 NH1 ARG A 102 67.493 -0.243 -12.033 1.00 3.68 N ATOM 261 NH2 ARG A 102 69.122 -0.369 -10.472 1.00 3.22 N ATOM 0 H ARG A 102 63.458 -2.985 -7.260 1.00 0.53 H new ATOM 0 HA ARG A 102 63.230 -0.577 -8.956 1.00 0.70 H new ATOM 0 HB2 ARG A 102 63.447 -3.606 -9.460 1.00 0.87 H new ATOM 0 HB3 ARG A 102 63.702 -2.370 -10.676 1.00 0.87 H new ATOM 0 HG2 ARG A 102 65.353 -1.642 -8.447 1.00 1.28 H new ATOM 0 HG3 ARG A 102 65.577 -3.365 -8.675 1.00 1.28 H new ATOM 0 HD2 ARG A 102 66.707 -3.058 -10.672 1.00 1.83 H new ATOM 0 HD3 ARG A 102 65.530 -1.898 -11.258 1.00 1.83 H new ATOM 0 HE ARG A 102 66.972 -0.685 -9.030 1.00 2.26 H new ATOM 0 HH11 ARG A 102 66.522 -0.389 -12.311 1.00 3.68 H new ATOM 0 HH12 ARG A 102 68.160 0.149 -12.698 1.00 3.68 H new ATOM 0 HH21 ARG A 102 69.425 -0.614 -9.529 1.00 3.22 H new ATOM 0 HH22 ARG A 102 69.789 0.023 -11.136 1.00 3.22 H new ATOM 275 N MET A 103 60.689 -2.529 -8.579 1.00 0.68 N ATOM 276 CA MET A 103 59.252 -2.666 -8.956 1.00 0.81 C ATOM 277 C MET A 103 58.400 -1.669 -8.167 1.00 0.79 C ATOM 278 O MET A 103 57.196 -1.607 -8.323 1.00 0.90 O ATOM 279 CB MET A 103 58.877 -4.101 -8.586 1.00 0.91 C ATOM 280 CG MET A 103 57.586 -4.492 -9.306 1.00 1.35 C ATOM 281 SD MET A 103 57.570 -6.281 -9.589 1.00 1.92 S ATOM 282 CE MET A 103 57.921 -6.782 -7.887 1.00 1.63 C ATOM 0 H MET A 103 60.989 -3.108 -7.795 1.00 0.68 H new ATOM 0 HA MET A 103 59.083 -2.461 -10.013 1.00 0.81 H new ATOM 0 HB2 MET A 103 59.682 -4.782 -8.864 1.00 0.91 H new ATOM 0 HB3 MET A 103 58.745 -4.187 -7.507 1.00 0.91 H new ATOM 0 HG2 MET A 103 56.722 -4.200 -8.710 1.00 1.35 H new ATOM 0 HG3 MET A 103 57.512 -3.962 -10.256 1.00 1.35 H new ATOM 0 HE1 MET A 103 57.551 -7.794 -7.722 1.00 1.63 H new ATOM 0 HE2 MET A 103 58.997 -6.757 -7.715 1.00 1.63 H new ATOM 0 HE3 MET A 103 57.427 -6.098 -7.197 1.00 1.63 H new ATOM 292 N PHE A 104 59.014 -0.888 -7.320 1.00 0.71 N ATOM 293 CA PHE A 104 58.237 0.104 -6.522 1.00 0.75 C ATOM 294 C PHE A 104 58.831 1.505 -6.691 1.00 0.68 C ATOM 295 O PHE A 104 58.356 2.463 -6.116 1.00 0.80 O ATOM 296 CB PHE A 104 58.368 -0.361 -5.072 1.00 0.76 C ATOM 297 CG PHE A 104 57.168 -1.200 -4.701 1.00 1.03 C ATOM 298 CD1 PHE A 104 55.876 -0.723 -4.953 1.00 1.71 C ATOM 299 CD2 PHE A 104 57.347 -2.455 -4.107 1.00 1.67 C ATOM 300 CE1 PHE A 104 54.763 -1.501 -4.610 1.00 2.03 C ATOM 301 CE2 PHE A 104 56.235 -3.232 -3.763 1.00 1.90 C ATOM 302 CZ PHE A 104 54.943 -2.755 -4.015 1.00 1.76 C ATOM 0 H PHE A 104 60.019 -0.894 -7.146 1.00 0.71 H new ATOM 0 HA PHE A 104 57.196 0.161 -6.840 1.00 0.75 H new ATOM 0 HB2 PHE A 104 59.283 -0.940 -4.946 1.00 0.76 H new ATOM 0 HB3 PHE A 104 58.442 0.500 -4.408 1.00 0.76 H new ATOM 0 HD1 PHE A 104 55.738 0.245 -5.412 1.00 1.71 H new ATOM 0 HD2 PHE A 104 58.344 -2.824 -3.914 1.00 1.67 H new ATOM 0 HE1 PHE A 104 53.766 -1.133 -4.805 1.00 2.03 H new ATOM 0 HE2 PHE A 104 56.373 -4.199 -3.303 1.00 1.90 H new ATOM 0 HZ PHE A 104 54.085 -3.355 -3.750 1.00 1.76 H new ATOM 312 N ASP A 105 59.865 1.631 -7.477 1.00 0.58 N ATOM 313 CA ASP A 105 60.485 2.972 -7.680 1.00 0.52 C ATOM 314 C ASP A 105 59.572 3.847 -8.543 1.00 0.52 C ATOM 315 O ASP A 105 59.751 3.955 -9.740 1.00 0.60 O ATOM 316 CB ASP A 105 61.806 2.696 -8.400 1.00 0.60 C ATOM 317 CG ASP A 105 62.754 3.879 -8.201 1.00 0.51 C ATOM 318 OD1 ASP A 105 62.367 4.814 -7.518 1.00 0.48 O ATOM 319 OD2 ASP A 105 63.849 3.832 -8.736 1.00 0.54 O ATOM 0 H ASP A 105 60.307 0.866 -7.986 1.00 0.58 H new ATOM 0 HA ASP A 105 60.640 3.503 -6.741 1.00 0.52 H new ATOM 0 HB2 ASP A 105 62.260 1.784 -8.012 1.00 0.60 H new ATOM 0 HB3 ASP A 105 61.626 2.536 -9.463 1.00 0.60 H new ATOM 324 N LYS A 106 58.593 4.473 -7.947 1.00 0.51 N ATOM 325 CA LYS A 106 57.673 5.339 -8.737 1.00 0.60 C ATOM 326 C LYS A 106 58.478 6.341 -9.566 1.00 0.59 C ATOM 327 O LYS A 106 58.153 6.625 -10.702 1.00 0.70 O ATOM 328 CB LYS A 106 56.813 6.065 -7.704 1.00 0.63 C ATOM 329 CG LYS A 106 55.658 6.776 -8.412 1.00 1.39 C ATOM 330 CD LYS A 106 54.565 5.760 -8.751 1.00 1.58 C ATOM 331 CE LYS A 106 54.323 5.752 -10.263 1.00 2.00 C ATOM 332 NZ LYS A 106 54.052 7.174 -10.617 1.00 2.79 N ATOM 0 H LYS A 106 58.391 4.422 -6.948 1.00 0.51 H new ATOM 0 HA LYS A 106 57.064 4.763 -9.434 1.00 0.60 H new ATOM 0 HB2 LYS A 106 56.424 5.354 -6.974 1.00 0.63 H new ATOM 0 HB3 LYS A 106 57.417 6.787 -7.155 1.00 0.63 H new ATOM 0 HG2 LYS A 106 55.254 7.561 -7.773 1.00 1.39 H new ATOM 0 HG3 LYS A 106 56.016 7.258 -9.322 1.00 1.39 H new ATOM 0 HD2 LYS A 106 54.861 4.766 -8.415 1.00 1.58 H new ATOM 0 HD3 LYS A 106 53.644 6.013 -8.226 1.00 1.58 H new ATOM 0 HE2 LYS A 106 55.191 5.370 -10.800 1.00 2.00 H new ATOM 0 HE3 LYS A 106 53.480 5.112 -10.525 1.00 2.00 H new ATOM 0 HZ1 LYS A 106 53.311 7.215 -11.345 1.00 2.79 H new ATOM 0 HZ2 LYS A 106 53.735 7.688 -9.770 1.00 2.79 H new ATOM 0 HZ3 LYS A 106 54.921 7.612 -10.983 1.00 2.79 H new ATOM 346 N ASN A 107 59.530 6.878 -9.010 1.00 0.53 N ATOM 347 CA ASN A 107 60.352 7.856 -9.778 1.00 0.59 C ATOM 348 C ASN A 107 61.273 7.115 -10.749 1.00 0.60 C ATOM 349 O ASN A 107 61.629 7.622 -11.794 1.00 0.71 O ATOM 350 CB ASN A 107 61.166 8.607 -8.725 1.00 0.62 C ATOM 351 CG ASN A 107 62.308 9.361 -9.406 1.00 1.10 C ATOM 352 OD1 ASN A 107 63.407 9.412 -8.893 1.00 1.50 O ATOM 353 ND2 ASN A 107 62.092 9.953 -10.548 1.00 1.67 N ATOM 0 H ASN A 107 59.854 6.683 -8.063 1.00 0.53 H new ATOM 0 HA ASN A 107 59.742 8.535 -10.374 1.00 0.59 H new ATOM 0 HB2 ASN A 107 60.526 9.305 -8.185 1.00 0.62 H new ATOM 0 HB3 ASN A 107 61.565 7.907 -7.991 1.00 0.62 H new ATOM 0 HD21 ASN A 107 62.847 10.459 -11.011 1.00 1.67 H new ATOM 0 HD22 ASN A 107 61.168 9.910 -10.978 1.00 1.67 H new ATOM 360 N ALA A 108 61.655 5.912 -10.415 1.00 0.56 N ATOM 361 CA ALA A 108 62.545 5.131 -11.321 1.00 0.62 C ATOM 362 C ALA A 108 63.838 5.904 -11.599 1.00 0.64 C ATOM 363 O ALA A 108 64.130 6.259 -12.724 1.00 0.78 O ATOM 364 CB ALA A 108 61.739 4.956 -12.608 1.00 0.72 C ATOM 0 H ALA A 108 61.389 5.436 -9.553 1.00 0.56 H new ATOM 0 HA ALA A 108 62.838 4.175 -10.886 1.00 0.62 H new ATOM 0 HB1 ALA A 108 62.326 4.389 -13.330 1.00 0.72 H new ATOM 0 HB2 ALA A 108 60.816 4.419 -12.389 1.00 0.72 H new ATOM 0 HB3 ALA A 108 61.500 5.935 -13.023 1.00 0.72 H new ATOM 370 N ASP A 109 64.617 6.166 -10.584 1.00 0.57 N ATOM 371 CA ASP A 109 65.890 6.913 -10.798 1.00 0.63 C ATOM 372 C ASP A 109 67.032 6.247 -10.022 1.00 0.63 C ATOM 373 O ASP A 109 68.150 6.725 -10.013 1.00 0.76 O ATOM 374 CB ASP A 109 65.619 8.325 -10.268 1.00 0.62 C ATOM 375 CG ASP A 109 65.741 8.345 -8.741 1.00 0.70 C ATOM 376 OD1 ASP A 109 64.962 7.664 -8.096 1.00 0.75 O ATOM 377 OD2 ASP A 109 66.611 9.039 -8.244 1.00 1.20 O ATOM 0 H ASP A 109 64.428 5.896 -9.619 1.00 0.57 H new ATOM 0 HA ASP A 109 66.190 6.928 -11.846 1.00 0.63 H new ATOM 0 HB2 ASP A 109 66.326 9.029 -10.707 1.00 0.62 H new ATOM 0 HB3 ASP A 109 64.622 8.649 -10.565 1.00 0.62 H new ATOM 382 N GLY A 110 66.758 5.152 -9.367 1.00 0.58 N ATOM 383 CA GLY A 110 67.826 4.463 -8.590 1.00 0.62 C ATOM 384 C GLY A 110 67.528 4.591 -7.095 1.00 0.54 C ATOM 385 O GLY A 110 67.803 3.698 -6.318 1.00 0.57 O ATOM 0 H GLY A 110 65.842 4.705 -9.337 1.00 0.58 H new ATOM 0 HA2 GLY A 110 67.877 3.412 -8.873 1.00 0.62 H new ATOM 0 HA3 GLY A 110 68.797 4.902 -8.818 1.00 0.62 H new ATOM 389 N TYR A 111 66.964 5.696 -6.687 1.00 0.50 N ATOM 390 CA TYR A 111 66.643 5.884 -5.243 1.00 0.48 C ATOM 391 C TYR A 111 65.144 6.134 -5.068 1.00 0.42 C ATOM 392 O TYR A 111 64.432 6.380 -6.020 1.00 0.52 O ATOM 393 CB TYR A 111 67.443 7.115 -4.816 1.00 0.52 C ATOM 394 CG TYR A 111 68.887 6.939 -5.212 1.00 0.60 C ATOM 395 CD1 TYR A 111 69.267 7.083 -6.551 1.00 1.36 C ATOM 396 CD2 TYR A 111 69.846 6.634 -4.240 1.00 1.38 C ATOM 397 CE1 TYR A 111 70.608 6.922 -6.918 1.00 1.40 C ATOM 398 CE2 TYR A 111 71.187 6.472 -4.607 1.00 1.46 C ATOM 399 CZ TYR A 111 71.568 6.615 -5.947 1.00 0.83 C ATOM 400 OH TYR A 111 72.891 6.456 -6.309 1.00 0.97 O ATOM 0 H TYR A 111 66.712 6.477 -7.292 1.00 0.50 H new ATOM 0 HA TYR A 111 66.894 5.008 -4.645 1.00 0.48 H new ATOM 0 HB2 TYR A 111 67.033 8.009 -5.285 1.00 0.52 H new ATOM 0 HB3 TYR A 111 67.365 7.256 -3.738 1.00 0.52 H new ATOM 0 HD1 TYR A 111 68.526 7.318 -7.301 1.00 1.36 H new ATOM 0 HD2 TYR A 111 69.552 6.524 -3.207 1.00 1.38 H new ATOM 0 HE1 TYR A 111 70.902 7.035 -7.951 1.00 1.40 H new ATOM 0 HE2 TYR A 111 71.928 6.237 -3.857 1.00 1.46 H new ATOM 0 HH TYR A 111 73.425 6.247 -5.514 1.00 0.97 H new ATOM 410 N ILE A 112 64.655 6.078 -3.859 1.00 0.36 N ATOM 411 CA ILE A 112 63.201 6.319 -3.635 1.00 0.32 C ATOM 412 C ILE A 112 62.991 7.312 -2.497 1.00 0.35 C ATOM 413 O ILE A 112 63.559 7.185 -1.431 1.00 0.43 O ATOM 414 CB ILE A 112 62.620 4.964 -3.278 1.00 0.32 C ATOM 415 CG1 ILE A 112 63.056 3.971 -4.362 1.00 0.40 C ATOM 416 CG2 ILE A 112 61.089 5.081 -3.223 1.00 0.35 C ATOM 417 CD1 ILE A 112 61.958 2.942 -4.623 1.00 0.46 C ATOM 0 H ILE A 112 65.197 5.876 -3.019 1.00 0.36 H new ATOM 0 HA ILE A 112 62.720 6.746 -4.515 1.00 0.32 H new ATOM 0 HB ILE A 112 62.973 4.619 -2.306 1.00 0.32 H new ATOM 0 HG12 ILE A 112 63.285 4.507 -5.283 1.00 0.40 H new ATOM 0 HG13 ILE A 112 63.970 3.464 -4.052 1.00 0.40 H new ATOM 0 HG21 ILE A 112 60.659 4.113 -2.967 1.00 0.35 H new ATOM 0 HG22 ILE A 112 60.807 5.814 -2.467 1.00 0.35 H new ATOM 0 HG23 ILE A 112 60.713 5.399 -4.195 1.00 0.35 H new ATOM 0 HD11 ILE A 112 62.287 2.247 -5.395 1.00 0.46 H new ATOM 0 HD12 ILE A 112 61.749 2.392 -3.705 1.00 0.46 H new ATOM 0 HD13 ILE A 112 61.053 3.451 -4.955 1.00 0.46 H new ATOM 429 N ASP A 113 62.178 8.302 -2.719 1.00 0.36 N ATOM 430 CA ASP A 113 61.926 9.312 -1.650 1.00 0.44 C ATOM 431 C ASP A 113 60.637 8.974 -0.895 1.00 0.44 C ATOM 432 O ASP A 113 59.899 8.087 -1.273 1.00 0.60 O ATOM 433 CB ASP A 113 61.788 10.647 -2.382 1.00 0.56 C ATOM 434 CG ASP A 113 60.622 10.574 -3.370 1.00 0.94 C ATOM 435 OD1 ASP A 113 59.488 10.656 -2.925 1.00 1.58 O ATOM 436 OD2 ASP A 113 60.882 10.439 -4.553 1.00 1.53 O ATOM 0 H ASP A 113 61.675 8.459 -3.593 1.00 0.36 H new ATOM 0 HA ASP A 113 62.728 9.338 -0.912 1.00 0.44 H new ATOM 0 HB2 ASP A 113 61.620 11.451 -1.665 1.00 0.56 H new ATOM 0 HB3 ASP A 113 62.712 10.880 -2.911 1.00 0.56 H new ATOM 441 N LEU A 114 60.366 9.674 0.172 1.00 0.47 N ATOM 442 CA LEU A 114 59.128 9.395 0.957 1.00 0.47 C ATOM 443 C LEU A 114 57.899 9.400 0.042 1.00 0.50 C ATOM 444 O LEU A 114 57.016 8.575 0.168 1.00 0.52 O ATOM 445 CB LEU A 114 59.043 10.533 1.975 1.00 0.57 C ATOM 446 CG LEU A 114 58.186 10.093 3.162 1.00 0.68 C ATOM 447 CD1 LEU A 114 58.362 11.084 4.314 1.00 1.36 C ATOM 448 CD2 LEU A 114 56.715 10.061 2.741 1.00 1.57 C ATOM 0 H LEU A 114 60.948 10.428 0.535 1.00 0.47 H new ATOM 0 HA LEU A 114 59.157 8.416 1.436 1.00 0.47 H new ATOM 0 HB2 LEU A 114 60.042 10.806 2.315 1.00 0.57 H new ATOM 0 HB3 LEU A 114 58.611 11.419 1.510 1.00 0.57 H new ATOM 0 HG LEU A 114 58.496 9.100 3.486 1.00 0.68 H new ATOM 0 HD11 LEU A 114 57.751 10.770 5.160 1.00 1.36 H new ATOM 0 HD12 LEU A 114 59.410 11.112 4.613 1.00 1.36 H new ATOM 0 HD13 LEU A 114 58.051 12.077 3.990 1.00 1.36 H new ATOM 0 HD21 LEU A 114 56.102 9.747 3.586 1.00 1.57 H new ATOM 0 HD22 LEU A 114 56.407 11.056 2.418 1.00 1.57 H new ATOM 0 HD23 LEU A 114 56.587 9.357 1.919 1.00 1.57 H new ATOM 460 N GLU A 115 57.833 10.328 -0.873 1.00 0.56 N ATOM 461 CA GLU A 115 56.659 10.391 -1.792 1.00 0.64 C ATOM 462 C GLU A 115 56.521 9.083 -2.580 1.00 0.56 C ATOM 463 O GLU A 115 55.430 8.651 -2.894 1.00 0.61 O ATOM 464 CB GLU A 115 56.960 11.556 -2.736 1.00 0.77 C ATOM 465 CG GLU A 115 55.650 12.219 -3.166 1.00 1.54 C ATOM 466 CD GLU A 115 55.674 12.465 -4.676 1.00 2.04 C ATOM 467 OE1 GLU A 115 56.754 12.669 -5.206 1.00 2.45 O ATOM 468 OE2 GLU A 115 54.613 12.445 -5.276 1.00 2.67 O ATOM 0 H GLU A 115 58.541 11.046 -1.025 1.00 0.56 H new ATOM 0 HA GLU A 115 55.723 10.531 -1.252 1.00 0.64 H new ATOM 0 HB2 GLU A 115 57.602 12.284 -2.239 1.00 0.77 H new ATOM 0 HB3 GLU A 115 57.502 11.198 -3.611 1.00 0.77 H new ATOM 0 HG2 GLU A 115 54.805 11.583 -2.904 1.00 1.54 H new ATOM 0 HG3 GLU A 115 55.516 13.162 -2.635 1.00 1.54 H new ATOM 475 N GLU A 116 57.616 8.455 -2.906 1.00 0.49 N ATOM 476 CA GLU A 116 57.543 7.181 -3.677 1.00 0.45 C ATOM 477 C GLU A 116 57.154 6.020 -2.758 1.00 0.43 C ATOM 478 O GLU A 116 56.333 5.194 -3.102 1.00 0.51 O ATOM 479 CB GLU A 116 58.952 6.972 -4.231 1.00 0.42 C ATOM 480 CG GLU A 116 59.261 8.051 -5.267 1.00 0.94 C ATOM 481 CD GLU A 116 60.627 7.773 -5.896 1.00 0.85 C ATOM 482 OE1 GLU A 116 60.872 6.632 -6.249 1.00 1.43 O ATOM 483 OE2 GLU A 116 61.405 8.706 -6.016 1.00 1.28 O ATOM 0 H GLU A 116 58.558 8.768 -2.672 1.00 0.49 H new ATOM 0 HA GLU A 116 56.793 7.223 -4.467 1.00 0.45 H new ATOM 0 HB2 GLU A 116 59.681 7.011 -3.422 1.00 0.42 H new ATOM 0 HB3 GLU A 116 59.032 5.984 -4.685 1.00 0.42 H new ATOM 0 HG2 GLU A 116 58.489 8.064 -6.037 1.00 0.94 H new ATOM 0 HG3 GLU A 116 59.258 9.034 -4.797 1.00 0.94 H new ATOM 490 N LEU A 117 57.737 5.952 -1.594 1.00 0.37 N ATOM 491 CA LEU A 117 57.400 4.844 -0.660 1.00 0.42 C ATOM 492 C LEU A 117 55.902 4.854 -0.365 1.00 0.50 C ATOM 493 O LEU A 117 55.263 3.822 -0.307 1.00 0.58 O ATOM 494 CB LEU A 117 58.201 5.139 0.607 1.00 0.43 C ATOM 495 CG LEU A 117 57.779 4.171 1.714 1.00 0.61 C ATOM 496 CD1 LEU A 117 59.023 3.584 2.382 1.00 0.90 C ATOM 497 CD2 LEU A 117 56.948 4.923 2.756 1.00 1.53 C ATOM 0 H LEU A 117 58.431 6.615 -1.250 1.00 0.37 H new ATOM 0 HA LEU A 117 57.639 3.863 -1.070 1.00 0.42 H new ATOM 0 HB2 LEU A 117 59.268 5.037 0.408 1.00 0.43 H new ATOM 0 HB3 LEU A 117 58.033 6.168 0.925 1.00 0.43 H new ATOM 0 HG LEU A 117 57.184 3.365 1.285 1.00 0.61 H new ATOM 0 HD11 LEU A 117 58.721 2.895 3.171 1.00 0.90 H new ATOM 0 HD12 LEU A 117 59.616 3.050 1.640 1.00 0.90 H new ATOM 0 HD13 LEU A 117 59.619 4.389 2.812 1.00 0.90 H new ATOM 0 HD21 LEU A 117 56.646 4.235 3.546 1.00 1.53 H new ATOM 0 HD22 LEU A 117 57.544 5.729 3.185 1.00 1.53 H new ATOM 0 HD23 LEU A 117 56.061 5.342 2.281 1.00 1.53 H new ATOM 509 N LYS A 118 55.334 6.015 -0.182 1.00 0.52 N ATOM 510 CA LYS A 118 53.876 6.093 0.107 1.00 0.63 C ATOM 511 C LYS A 118 53.085 5.373 -0.987 1.00 0.71 C ATOM 512 O LYS A 118 52.034 4.814 -0.742 1.00 0.83 O ATOM 513 CB LYS A 118 53.553 7.588 0.112 1.00 0.68 C ATOM 514 CG LYS A 118 52.115 7.801 0.586 1.00 1.05 C ATOM 515 CD LYS A 118 52.116 8.668 1.846 1.00 1.33 C ATOM 516 CE LYS A 118 52.592 10.079 1.494 1.00 1.49 C ATOM 517 NZ LYS A 118 51.345 10.875 1.330 1.00 1.82 N ATOM 0 H LYS A 118 55.818 6.912 -0.220 1.00 0.52 H new ATOM 0 HA LYS A 118 53.614 5.619 1.053 1.00 0.63 H new ATOM 0 HB2 LYS A 118 54.245 8.117 0.767 1.00 0.68 H new ATOM 0 HB3 LYS A 118 53.682 8.001 -0.888 1.00 0.68 H new ATOM 0 HG2 LYS A 118 51.530 8.281 -0.198 1.00 1.05 H new ATOM 0 HG3 LYS A 118 51.643 6.841 0.793 1.00 1.05 H new ATOM 0 HD2 LYS A 118 51.114 8.707 2.274 1.00 1.33 H new ATOM 0 HD3 LYS A 118 52.769 8.230 2.601 1.00 1.33 H new ATOM 0 HE2 LYS A 118 53.223 10.491 2.282 1.00 1.49 H new ATOM 0 HE3 LYS A 118 53.184 10.079 0.579 1.00 1.49 H new ATOM 0 HZ1 LYS A 118 51.589 11.856 1.087 1.00 1.82 H new ATOM 0 HZ2 LYS A 118 50.768 10.463 0.569 1.00 1.82 H new ATOM 0 HZ3 LYS A 118 50.806 10.862 2.219 1.00 1.82 H new ATOM 531 N ILE A 119 53.584 5.380 -2.193 1.00 0.72 N ATOM 532 CA ILE A 119 52.862 4.692 -3.301 1.00 0.84 C ATOM 533 C ILE A 119 53.133 3.188 -3.248 1.00 0.86 C ATOM 534 O ILE A 119 52.277 2.380 -3.551 1.00 0.96 O ATOM 535 CB ILE A 119 53.431 5.295 -4.581 1.00 0.93 C ATOM 536 CG1 ILE A 119 52.946 6.739 -4.719 1.00 1.00 C ATOM 537 CG2 ILE A 119 52.951 4.479 -5.783 1.00 1.06 C ATOM 538 CD1 ILE A 119 53.518 7.349 -5.997 1.00 1.08 C ATOM 0 H ILE A 119 54.459 5.832 -2.459 1.00 0.72 H new ATOM 0 HA ILE A 119 51.782 4.824 -3.237 1.00 0.84 H new ATOM 0 HB ILE A 119 54.520 5.278 -4.541 1.00 0.93 H new ATOM 0 HG12 ILE A 119 51.857 6.767 -4.746 1.00 1.00 H new ATOM 0 HG13 ILE A 119 53.258 7.323 -3.853 1.00 1.00 H new ATOM 0 HG21 ILE A 119 53.356 4.908 -6.699 1.00 1.06 H new ATOM 0 HG22 ILE A 119 53.292 3.449 -5.683 1.00 1.06 H new ATOM 0 HG23 ILE A 119 51.862 4.498 -5.824 1.00 1.06 H new ATOM 0 HD11 ILE A 119 53.172 8.378 -6.095 1.00 1.08 H new ATOM 0 HD12 ILE A 119 54.607 7.335 -5.951 1.00 1.08 H new ATOM 0 HD13 ILE A 119 53.183 6.770 -6.858 1.00 1.08 H new ATOM 550 N MET A 120 54.319 2.805 -2.860 1.00 0.82 N ATOM 551 CA MET A 120 54.649 1.354 -2.783 1.00 0.92 C ATOM 552 C MET A 120 53.673 0.647 -1.837 1.00 0.92 C ATOM 553 O MET A 120 53.333 -0.504 -2.027 1.00 1.01 O ATOM 554 CB MET A 120 56.077 1.305 -2.232 1.00 0.96 C ATOM 555 CG MET A 120 56.354 -0.073 -1.625 1.00 1.50 C ATOM 556 SD MET A 120 58.104 -0.196 -1.179 1.00 2.13 S ATOM 557 CE MET A 120 57.927 0.268 0.561 1.00 2.73 C ATOM 0 H MET A 120 55.075 3.436 -2.593 1.00 0.82 H new ATOM 0 HA MET A 120 54.572 0.853 -3.748 1.00 0.92 H new ATOM 0 HB2 MET A 120 56.791 1.511 -3.029 1.00 0.96 H new ATOM 0 HB3 MET A 120 56.211 2.079 -1.476 1.00 0.96 H new ATOM 0 HG2 MET A 120 55.732 -0.225 -0.743 1.00 1.50 H new ATOM 0 HG3 MET A 120 56.094 -0.855 -2.338 1.00 1.50 H new ATOM 0 HE1 MET A 120 58.894 0.189 1.059 1.00 2.73 H new ATOM 0 HE2 MET A 120 57.567 1.294 0.629 1.00 2.73 H new ATOM 0 HE3 MET A 120 57.214 -0.400 1.045 1.00 2.73 H new ATOM 567 N LEU A 121 53.222 1.326 -0.818 1.00 0.88 N ATOM 568 CA LEU A 121 52.268 0.691 0.136 1.00 0.96 C ATOM 569 C LEU A 121 50.866 0.661 -0.468 1.00 0.99 C ATOM 570 O LEU A 121 50.064 -0.189 -0.150 1.00 1.12 O ATOM 571 CB LEU A 121 52.269 1.579 1.376 1.00 0.98 C ATOM 572 CG LEU A 121 53.694 2.031 1.705 1.00 1.19 C ATOM 573 CD1 LEU A 121 53.729 2.597 3.125 1.00 1.51 C ATOM 574 CD2 LEU A 121 54.646 0.836 1.614 1.00 1.81 C ATOM 0 H LEU A 121 53.472 2.292 -0.605 1.00 0.88 H new ATOM 0 HA LEU A 121 52.556 -0.335 0.367 1.00 0.96 H new ATOM 0 HB2 LEU A 121 51.634 2.449 1.209 1.00 0.98 H new ATOM 0 HB3 LEU A 121 51.849 1.035 2.222 1.00 0.98 H new ATOM 0 HG LEU A 121 54.005 2.797 0.995 1.00 1.19 H new ATOM 0 HD11 LEU A 121 54.742 2.920 3.363 1.00 1.51 H new ATOM 0 HD12 LEU A 121 53.051 3.448 3.194 1.00 1.51 H new ATOM 0 HD13 LEU A 121 53.418 1.827 3.831 1.00 1.51 H new ATOM 0 HD21 LEU A 121 55.660 1.160 1.849 1.00 1.81 H new ATOM 0 HD22 LEU A 121 54.337 0.069 2.324 1.00 1.81 H new ATOM 0 HD23 LEU A 121 54.620 0.427 0.604 1.00 1.81 H new ATOM 586 N GLN A 122 50.561 1.588 -1.333 1.00 0.95 N ATOM 587 CA GLN A 122 49.208 1.604 -1.950 1.00 1.05 C ATOM 588 C GLN A 122 49.024 0.351 -2.804 1.00 1.12 C ATOM 589 O GLN A 122 47.919 -0.078 -3.070 1.00 1.24 O ATOM 590 CB GLN A 122 49.179 2.862 -2.815 1.00 1.07 C ATOM 591 CG GLN A 122 48.315 3.917 -2.126 1.00 1.49 C ATOM 592 CD GLN A 122 49.100 5.223 -2.007 1.00 1.51 C ATOM 593 OE1 GLN A 122 49.672 5.727 -3.067 1.00 2.24 O flip ATOM 594 NE2 GLN A 122 49.194 5.795 -0.938 1.00 1.52 N flip ATOM 0 H GLN A 122 51.189 2.332 -1.638 1.00 0.95 H new ATOM 0 HA GLN A 122 48.407 1.611 -1.211 1.00 1.05 H new ATOM 0 HB2 GLN A 122 50.190 3.241 -2.963 1.00 1.07 H new ATOM 0 HB3 GLN A 122 48.777 2.632 -3.802 1.00 1.07 H new ATOM 0 HG2 GLN A 122 47.400 4.081 -2.695 1.00 1.49 H new ATOM 0 HG3 GLN A 122 48.017 3.569 -1.137 1.00 1.49 H new ATOM 0 HE21 GLN A 122 48.748 5.403 -0.109 1.00 1.52 H new ATOM 0 HE22 GLN A 122 49.719 6.667 -0.871 1.00 1.52 H new ATOM 603 N ALA A 123 50.105 -0.243 -3.225 1.00 1.11 N ATOM 604 CA ALA A 123 50.000 -1.478 -4.049 1.00 1.26 C ATOM 605 C ALA A 123 49.517 -2.634 -3.174 1.00 1.39 C ATOM 606 O ALA A 123 48.996 -3.619 -3.659 1.00 1.55 O ATOM 607 CB ALA A 123 51.420 -1.740 -4.554 1.00 1.31 C ATOM 0 H ALA A 123 51.056 0.073 -3.034 1.00 1.11 H new ATOM 0 HA ALA A 123 49.293 -1.377 -4.873 1.00 1.26 H new ATOM 0 HB1 ALA A 123 51.427 -2.638 -5.172 1.00 1.31 H new ATOM 0 HB2 ALA A 123 51.758 -0.890 -5.146 1.00 1.31 H new ATOM 0 HB3 ALA A 123 52.088 -1.880 -3.704 1.00 1.31 H new ATOM 613 N THR A 124 49.684 -2.520 -1.884 1.00 1.38 N ATOM 614 CA THR A 124 49.232 -3.613 -0.976 1.00 1.59 C ATOM 615 C THR A 124 48.995 -3.071 0.437 1.00 1.77 C ATOM 616 O THR A 124 49.269 -3.732 1.418 1.00 2.03 O ATOM 617 CB THR A 124 50.379 -4.625 -0.975 1.00 1.65 C ATOM 618 OG1 THR A 124 49.949 -5.826 -0.349 1.00 2.26 O ATOM 619 CG2 THR A 124 51.571 -4.047 -0.212 1.00 1.97 C ATOM 0 H THR A 124 50.113 -1.719 -1.420 1.00 1.38 H new ATOM 0 HA THR A 124 48.293 -4.058 -1.305 1.00 1.59 H new ATOM 0 HB THR A 124 50.677 -4.838 -2.002 1.00 1.65 H new ATOM 0 HG1 THR A 124 49.539 -5.615 0.516 1.00 2.26 H new ATOM 0 HG21 THR A 124 52.388 -4.769 -0.212 1.00 1.97 H new ATOM 0 HG22 THR A 124 51.900 -3.127 -0.694 1.00 1.97 H new ATOM 0 HG23 THR A 124 51.276 -3.833 0.815 1.00 1.97 H new ATOM 627 N GLY A 125 48.491 -1.871 0.551 1.00 1.74 N ATOM 628 CA GLY A 125 48.245 -1.297 1.903 1.00 2.07 C ATOM 629 C GLY A 125 46.751 -1.021 2.082 1.00 1.64 C ATOM 630 O GLY A 125 45.954 -1.262 1.197 1.00 2.16 O ATOM 0 H GLY A 125 48.240 -1.266 -0.231 1.00 1.74 H new ATOM 0 HA2 GLY A 125 48.591 -1.989 2.671 1.00 2.07 H new ATOM 0 HA3 GLY A 125 48.812 -0.374 2.026 1.00 2.07 H new ATOM 634 N GLU A 126 46.367 -0.517 3.223 1.00 1.68 N ATOM 635 CA GLU A 126 44.924 -0.224 3.463 1.00 1.94 C ATOM 636 C GLU A 126 44.657 1.278 3.319 1.00 1.76 C ATOM 637 O GLU A 126 43.760 1.819 3.933 1.00 2.42 O ATOM 638 CB GLU A 126 44.663 -0.677 4.900 1.00 2.83 C ATOM 639 CG GLU A 126 44.313 -2.165 4.913 1.00 3.43 C ATOM 640 CD GLU A 126 42.818 -2.337 5.192 1.00 4.44 C ATOM 641 OE1 GLU A 126 42.126 -1.333 5.246 1.00 4.97 O ATOM 642 OE2 GLU A 126 42.390 -3.469 5.346 1.00 5.02 O ATOM 0 H GLU A 126 46.990 -0.295 4.000 1.00 1.68 H new ATOM 0 HA GLU A 126 44.275 -0.732 2.749 1.00 1.94 H new ATOM 0 HB2 GLU A 126 45.544 -0.495 5.515 1.00 2.83 H new ATOM 0 HB3 GLU A 126 43.847 -0.097 5.332 1.00 2.83 H new ATOM 0 HG2 GLU A 126 44.569 -2.618 3.955 1.00 3.43 H new ATOM 0 HG3 GLU A 126 44.897 -2.680 5.675 1.00 3.43 H new ATOM 649 N THR A 127 45.431 1.954 2.515 1.00 1.67 N ATOM 650 CA THR A 127 45.218 3.419 2.336 1.00 1.97 C ATOM 651 C THR A 127 45.268 4.130 3.692 1.00 1.60 C ATOM 652 O THR A 127 44.276 4.233 4.387 1.00 1.70 O ATOM 653 CB THR A 127 43.827 3.544 1.713 1.00 2.78 C ATOM 654 OG1 THR A 127 43.840 2.969 0.413 1.00 3.37 O ATOM 655 CG2 THR A 127 43.438 5.020 1.615 1.00 3.72 C ATOM 0 H THR A 127 46.200 1.557 1.975 1.00 1.67 H new ATOM 0 HA THR A 127 45.986 3.875 1.711 1.00 1.97 H new ATOM 0 HB THR A 127 43.102 3.021 2.337 1.00 2.78 H new ATOM 0 HG1 THR A 127 42.949 3.046 0.012 1.00 3.37 H new ATOM 0 HG21 THR A 127 42.446 5.106 1.171 1.00 3.72 H new ATOM 0 HG22 THR A 127 43.429 5.461 2.612 1.00 3.72 H new ATOM 0 HG23 THR A 127 44.161 5.546 0.992 1.00 3.72 H new ATOM 663 N ILE A 128 46.416 4.624 4.071 1.00 1.39 N ATOM 664 CA ILE A 128 46.530 5.330 5.380 1.00 1.35 C ATOM 665 C ILE A 128 46.948 6.786 5.162 1.00 1.27 C ATOM 666 O ILE A 128 47.135 7.228 4.046 1.00 1.39 O ATOM 667 CB ILE A 128 47.606 4.577 6.159 1.00 1.59 C ATOM 668 CG1 ILE A 128 48.767 4.227 5.231 1.00 2.00 C ATOM 669 CG2 ILE A 128 47.013 3.292 6.737 1.00 2.58 C ATOM 670 CD1 ILE A 128 49.878 3.581 6.051 1.00 2.44 C ATOM 0 H ILE A 128 47.280 4.569 3.531 1.00 1.39 H new ATOM 0 HA ILE A 128 45.581 5.346 5.917 1.00 1.35 H new ATOM 0 HB ILE A 128 47.970 5.209 6.969 1.00 1.59 H new ATOM 0 HG12 ILE A 128 48.432 3.546 4.448 1.00 2.00 H new ATOM 0 HG13 ILE A 128 49.137 5.125 4.736 1.00 2.00 H new ATOM 0 HG21 ILE A 128 47.781 2.755 7.293 1.00 2.58 H new ATOM 0 HG22 ILE A 128 46.188 3.540 7.405 1.00 2.58 H new ATOM 0 HG23 ILE A 128 46.646 2.664 5.926 1.00 2.58 H new ATOM 0 HD11 ILE A 128 50.712 3.327 5.397 1.00 2.44 H new ATOM 0 HD12 ILE A 128 50.217 4.278 6.817 1.00 2.44 H new ATOM 0 HD13 ILE A 128 49.500 2.675 6.526 1.00 2.44 H new ATOM 682 N THR A 129 47.093 7.536 6.220 1.00 1.18 N ATOM 683 CA THR A 129 47.496 8.964 6.070 1.00 1.21 C ATOM 684 C THR A 129 49.020 9.097 6.140 1.00 1.10 C ATOM 685 O THR A 129 49.736 8.121 6.244 1.00 1.04 O ATOM 686 CB THR A 129 46.840 9.685 7.248 1.00 1.37 C ATOM 687 OG1 THR A 129 47.448 9.258 8.459 1.00 1.63 O ATOM 688 CG2 THR A 129 45.347 9.359 7.279 1.00 1.63 C ATOM 0 H THR A 129 46.950 7.223 7.180 1.00 1.18 H new ATOM 0 HA THR A 129 47.187 9.381 5.112 1.00 1.21 H new ATOM 0 HB THR A 129 46.971 10.761 7.136 1.00 1.37 H new ATOM 0 HG1 THR A 129 47.030 9.720 9.215 1.00 1.63 H new ATOM 0 HG21 THR A 129 44.880 9.873 8.119 1.00 1.63 H new ATOM 0 HG22 THR A 129 44.883 9.688 6.349 1.00 1.63 H new ATOM 0 HG23 THR A 129 45.212 8.283 7.391 1.00 1.63 H new ATOM 696 N GLU A 130 49.518 10.301 6.083 1.00 1.13 N ATOM 697 CA GLU A 130 50.995 10.506 6.143 1.00 1.09 C ATOM 698 C GLU A 130 51.507 10.270 7.568 1.00 1.03 C ATOM 699 O GLU A 130 52.686 10.376 7.838 1.00 0.98 O ATOM 700 CB GLU A 130 51.204 11.965 5.735 1.00 1.23 C ATOM 701 CG GLU A 130 52.678 12.200 5.406 1.00 1.68 C ATOM 702 CD GLU A 130 53.040 13.657 5.704 1.00 2.20 C ATOM 703 OE1 GLU A 130 53.125 13.998 6.872 1.00 2.66 O ATOM 704 OE2 GLU A 130 53.227 14.407 4.760 1.00 2.77 O ATOM 0 H GLU A 130 48.966 11.154 5.997 1.00 1.13 H new ATOM 0 HA GLU A 130 51.535 9.816 5.495 1.00 1.09 H new ATOM 0 HB2 GLU A 130 50.586 12.203 4.870 1.00 1.23 H new ATOM 0 HB3 GLU A 130 50.891 12.627 6.542 1.00 1.23 H new ATOM 0 HG2 GLU A 130 53.305 11.530 5.995 1.00 1.68 H new ATOM 0 HG3 GLU A 130 52.868 11.974 4.357 1.00 1.68 H new ATOM 711 N ASP A 131 50.627 9.957 8.481 1.00 1.08 N ATOM 712 CA ASP A 131 51.066 9.723 9.888 1.00 1.10 C ATOM 713 C ASP A 131 51.814 8.392 10.005 1.00 0.95 C ATOM 714 O ASP A 131 52.794 8.285 10.715 1.00 0.88 O ATOM 715 CB ASP A 131 49.772 9.689 10.701 1.00 1.27 C ATOM 716 CG ASP A 131 49.199 11.103 10.807 1.00 1.65 C ATOM 717 OD1 ASP A 131 49.035 11.733 9.775 1.00 2.28 O ATOM 718 OD2 ASP A 131 48.935 11.533 11.918 1.00 2.09 O ATOM 0 H ASP A 131 49.626 9.853 8.315 1.00 1.08 H new ATOM 0 HA ASP A 131 51.751 10.495 10.239 1.00 1.10 H new ATOM 0 HB2 ASP A 131 49.049 9.027 10.226 1.00 1.27 H new ATOM 0 HB3 ASP A 131 49.965 9.288 11.696 1.00 1.27 H new ATOM 723 N ASP A 132 51.362 7.377 9.321 1.00 0.96 N ATOM 724 CA ASP A 132 52.054 6.057 9.405 1.00 0.88 C ATOM 725 C ASP A 132 53.315 6.058 8.534 1.00 0.76 C ATOM 726 O ASP A 132 54.400 5.766 8.997 1.00 0.72 O ATOM 727 CB ASP A 132 51.038 5.044 8.878 1.00 0.99 C ATOM 728 CG ASP A 132 50.368 4.335 10.055 1.00 1.31 C ATOM 729 OD1 ASP A 132 49.749 5.015 10.858 1.00 1.70 O ATOM 730 OD2 ASP A 132 50.485 3.123 10.136 1.00 1.95 O ATOM 0 H ASP A 132 50.546 7.403 8.709 1.00 0.96 H new ATOM 0 HA ASP A 132 52.374 5.824 10.421 1.00 0.88 H new ATOM 0 HB2 ASP A 132 50.288 5.548 8.269 1.00 0.99 H new ATOM 0 HB3 ASP A 132 51.534 4.316 8.236 1.00 0.99 H new ATOM 735 N ILE A 133 53.182 6.381 7.276 1.00 0.78 N ATOM 736 CA ILE A 133 54.374 6.395 6.379 1.00 0.73 C ATOM 737 C ILE A 133 55.414 7.399 6.887 1.00 0.66 C ATOM 738 O ILE A 133 56.583 7.311 6.565 1.00 0.63 O ATOM 739 CB ILE A 133 53.835 6.823 5.015 1.00 0.84 C ATOM 740 CG1 ILE A 133 53.040 5.670 4.398 1.00 0.91 C ATOM 741 CG2 ILE A 133 55.001 7.188 4.094 1.00 1.14 C ATOM 742 CD1 ILE A 133 51.947 6.231 3.487 1.00 0.96 C ATOM 0 H ILE A 133 52.300 6.636 6.831 1.00 0.78 H new ATOM 0 HA ILE A 133 54.869 5.425 6.337 1.00 0.73 H new ATOM 0 HB ILE A 133 53.186 7.690 5.137 1.00 0.84 H new ATOM 0 HG12 ILE A 133 53.705 5.020 3.828 1.00 0.91 H new ATOM 0 HG13 ILE A 133 52.595 5.060 5.184 1.00 0.91 H new ATOM 0 HG21 ILE A 133 54.615 7.493 3.121 1.00 1.14 H new ATOM 0 HG22 ILE A 133 55.568 8.009 4.533 1.00 1.14 H new ATOM 0 HG23 ILE A 133 55.652 6.322 3.971 1.00 1.14 H new ATOM 0 HD11 ILE A 133 51.382 5.409 3.048 1.00 0.96 H new ATOM 0 HD12 ILE A 133 51.276 6.862 4.070 1.00 0.96 H new ATOM 0 HD13 ILE A 133 52.403 6.822 2.693 1.00 0.96 H new ATOM 754 N GLU A 134 55.000 8.351 7.674 1.00 0.73 N ATOM 755 CA GLU A 134 55.967 9.360 8.197 1.00 0.77 C ATOM 756 C GLU A 134 57.095 8.668 8.967 1.00 0.70 C ATOM 757 O GLU A 134 58.261 8.907 8.724 1.00 0.68 O ATOM 758 CB GLU A 134 55.144 10.245 9.132 1.00 0.96 C ATOM 759 CG GLU A 134 54.873 11.589 8.453 1.00 0.95 C ATOM 760 CD GLU A 134 56.143 12.441 8.478 1.00 1.60 C ATOM 761 OE1 GLU A 134 57.110 12.009 9.084 1.00 2.07 O ATOM 762 OE2 GLU A 134 56.127 13.509 7.890 1.00 2.27 O ATOM 0 H GLU A 134 54.035 8.476 7.979 1.00 0.73 H new ATOM 0 HA GLU A 134 56.437 9.934 7.398 1.00 0.77 H new ATOM 0 HB2 GLU A 134 54.203 9.754 9.380 1.00 0.96 H new ATOM 0 HB3 GLU A 134 55.679 10.400 10.069 1.00 0.96 H new ATOM 0 HG2 GLU A 134 54.550 11.430 7.424 1.00 0.95 H new ATOM 0 HG3 GLU A 134 54.063 12.110 8.964 1.00 0.95 H new ATOM 769 N GLU A 135 56.759 7.813 9.893 1.00 0.74 N ATOM 770 CA GLU A 135 57.813 7.110 10.678 1.00 0.76 C ATOM 771 C GLU A 135 58.392 5.946 9.868 1.00 0.66 C ATOM 772 O GLU A 135 59.315 5.281 10.292 1.00 0.74 O ATOM 773 CB GLU A 135 57.099 6.593 11.929 1.00 0.88 C ATOM 774 CG GLU A 135 57.093 7.687 13.001 1.00 1.20 C ATOM 775 CD GLU A 135 56.338 7.188 14.235 1.00 1.48 C ATOM 776 OE1 GLU A 135 56.956 6.532 15.058 1.00 2.16 O ATOM 777 OE2 GLU A 135 55.156 7.472 14.337 1.00 1.95 O ATOM 0 H GLU A 135 55.800 7.570 10.140 1.00 0.74 H new ATOM 0 HA GLU A 135 58.647 7.766 10.927 1.00 0.76 H new ATOM 0 HB2 GLU A 135 56.077 6.303 11.684 1.00 0.88 H new ATOM 0 HB3 GLU A 135 57.602 5.702 12.306 1.00 0.88 H new ATOM 0 HG2 GLU A 135 58.115 7.953 13.270 1.00 1.20 H new ATOM 0 HG3 GLU A 135 56.620 8.589 12.613 1.00 1.20 H new ATOM 784 N LEU A 136 57.855 5.696 8.705 1.00 0.62 N ATOM 785 CA LEU A 136 58.376 4.575 7.869 1.00 0.66 C ATOM 786 C LEU A 136 59.645 5.007 7.129 1.00 0.61 C ATOM 787 O LEU A 136 60.658 4.336 7.167 1.00 0.70 O ATOM 788 CB LEU A 136 57.257 4.267 6.874 1.00 0.77 C ATOM 789 CG LEU A 136 57.486 2.883 6.263 1.00 0.86 C ATOM 790 CD1 LEU A 136 57.413 1.820 7.361 1.00 1.63 C ATOM 791 CD2 LEU A 136 56.408 2.604 5.213 1.00 1.38 C ATOM 0 H LEU A 136 57.079 6.218 8.297 1.00 0.62 H new ATOM 0 HA LEU A 136 58.640 3.705 8.470 1.00 0.66 H new ATOM 0 HB2 LEU A 136 56.290 4.299 7.376 1.00 0.77 H new ATOM 0 HB3 LEU A 136 57.234 5.024 6.090 1.00 0.77 H new ATOM 0 HG LEU A 136 58.469 2.853 5.793 1.00 0.86 H new ATOM 0 HD11 LEU A 136 57.576 0.835 6.925 1.00 1.63 H new ATOM 0 HD12 LEU A 136 58.180 2.017 8.110 1.00 1.63 H new ATOM 0 HD13 LEU A 136 56.430 1.850 7.832 1.00 1.63 H new ATOM 0 HD21 LEU A 136 56.571 1.618 4.777 1.00 1.38 H new ATOM 0 HD22 LEU A 136 55.425 2.635 5.683 1.00 1.38 H new ATOM 0 HD23 LEU A 136 56.459 3.360 4.429 1.00 1.38 H new ATOM 803 N MET A 137 59.598 6.121 6.450 1.00 0.55 N ATOM 804 CA MET A 137 60.801 6.590 5.701 1.00 0.59 C ATOM 805 C MET A 137 61.839 7.176 6.663 1.00 0.65 C ATOM 806 O MET A 137 63.014 7.234 6.359 1.00 0.81 O ATOM 807 CB MET A 137 60.278 7.671 4.752 1.00 0.60 C ATOM 808 CG MET A 137 61.451 8.501 4.222 1.00 0.96 C ATOM 809 SD MET A 137 62.737 7.397 3.587 1.00 1.23 S ATOM 810 CE MET A 137 61.767 6.666 2.245 1.00 1.35 C ATOM 0 H MET A 137 58.780 6.727 6.381 1.00 0.55 H new ATOM 0 HA MET A 137 61.294 5.778 5.167 1.00 0.59 H new ATOM 0 HB2 MET A 137 59.740 7.212 3.923 1.00 0.60 H new ATOM 0 HB3 MET A 137 59.570 8.315 5.273 1.00 0.60 H new ATOM 0 HG2 MET A 137 61.109 9.170 3.432 1.00 0.96 H new ATOM 0 HG3 MET A 137 61.855 9.127 5.017 1.00 0.96 H new ATOM 0 HE1 MET A 137 62.391 6.568 1.357 1.00 1.35 H new ATOM 0 HE2 MET A 137 61.410 5.682 2.548 1.00 1.35 H new ATOM 0 HE3 MET A 137 60.915 7.308 2.021 1.00 1.35 H new ATOM 820 N LYS A 138 61.418 7.612 7.818 1.00 0.62 N ATOM 821 CA LYS A 138 62.389 8.195 8.787 1.00 0.79 C ATOM 822 C LYS A 138 63.222 7.088 9.440 1.00 0.86 C ATOM 823 O LYS A 138 64.430 7.182 9.534 1.00 1.16 O ATOM 824 CB LYS A 138 61.528 8.909 9.830 1.00 0.87 C ATOM 825 CG LYS A 138 61.167 10.304 9.319 1.00 1.55 C ATOM 826 CD LYS A 138 60.404 11.066 10.405 1.00 2.07 C ATOM 827 CE LYS A 138 60.582 12.571 10.194 1.00 2.85 C ATOM 828 NZ LYS A 138 60.152 13.191 11.478 1.00 3.36 N ATOM 0 H LYS A 138 60.448 7.590 8.132 1.00 0.62 H new ATOM 0 HA LYS A 138 63.093 8.874 8.306 1.00 0.79 H new ATOM 0 HB2 LYS A 138 60.622 8.335 10.025 1.00 0.87 H new ATOM 0 HB3 LYS A 138 62.067 8.984 10.774 1.00 0.87 H new ATOM 0 HG2 LYS A 138 62.071 10.848 9.046 1.00 1.55 H new ATOM 0 HG3 LYS A 138 60.558 10.226 8.419 1.00 1.55 H new ATOM 0 HD2 LYS A 138 59.346 10.806 10.371 1.00 2.07 H new ATOM 0 HD3 LYS A 138 60.771 10.780 11.391 1.00 2.07 H new ATOM 0 HE2 LYS A 138 61.618 12.818 9.964 1.00 2.85 H new ATOM 0 HE3 LYS A 138 59.977 12.928 9.361 1.00 2.85 H new ATOM 0 HZ1 LYS A 138 60.245 14.225 11.413 1.00 3.36 H new ATOM 0 HZ2 LYS A 138 59.160 12.944 11.668 1.00 3.36 H new ATOM 0 HZ3 LYS A 138 60.751 12.838 12.252 1.00 3.36 H new ATOM 842 N ASP A 139 62.589 6.040 9.891 1.00 0.71 N ATOM 843 CA ASP A 139 63.350 4.930 10.535 1.00 0.85 C ATOM 844 C ASP A 139 63.968 4.023 9.469 1.00 0.85 C ATOM 845 O ASP A 139 64.541 2.995 9.769 1.00 1.02 O ATOM 846 CB ASP A 139 62.314 4.164 11.358 1.00 0.97 C ATOM 847 CG ASP A 139 61.923 4.988 12.585 1.00 1.50 C ATOM 848 OD1 ASP A 139 62.818 5.401 13.306 1.00 2.33 O ATOM 849 OD2 ASP A 139 60.737 5.195 12.783 1.00 1.80 O ATOM 0 H ASP A 139 61.579 5.904 9.842 1.00 0.71 H new ATOM 0 HA ASP A 139 64.170 5.296 11.152 1.00 0.85 H new ATOM 0 HB2 ASP A 139 61.433 3.957 10.751 1.00 0.97 H new ATOM 0 HB3 ASP A 139 62.721 3.201 11.668 1.00 0.97 H new ATOM 854 N GLY A 140 63.856 4.397 8.222 1.00 0.81 N ATOM 855 CA GLY A 140 64.435 3.558 7.137 1.00 0.86 C ATOM 856 C GLY A 140 65.735 4.192 6.638 1.00 0.77 C ATOM 857 O GLY A 140 66.683 3.507 6.306 1.00 0.86 O ATOM 0 H GLY A 140 63.388 5.248 7.910 1.00 0.81 H new ATOM 0 HA2 GLY A 140 64.628 2.551 7.506 1.00 0.86 H new ATOM 0 HA3 GLY A 140 63.724 3.466 6.316 1.00 0.86 H new ATOM 861 N ASP A 141 65.787 5.494 6.582 1.00 0.70 N ATOM 862 CA ASP A 141 67.028 6.170 6.103 1.00 0.66 C ATOM 863 C ASP A 141 68.208 5.811 7.011 1.00 0.74 C ATOM 864 O ASP A 141 68.309 6.280 8.126 1.00 0.87 O ATOM 865 CB ASP A 141 66.722 7.666 6.187 1.00 0.66 C ATOM 866 CG ASP A 141 66.394 8.200 4.792 1.00 0.76 C ATOM 867 OD1 ASP A 141 66.622 7.480 3.835 1.00 0.92 O ATOM 868 OD2 ASP A 141 65.919 9.321 4.705 1.00 0.83 O ATOM 0 H ASP A 141 65.026 6.119 6.846 1.00 0.70 H new ATOM 0 HA ASP A 141 67.301 5.867 5.092 1.00 0.66 H new ATOM 0 HB2 ASP A 141 65.883 7.839 6.861 1.00 0.66 H new ATOM 0 HB3 ASP A 141 67.578 8.200 6.600 1.00 0.66 H new ATOM 873 N LYS A 142 69.099 4.980 6.540 1.00 0.75 N ATOM 874 CA LYS A 142 70.270 4.591 7.377 1.00 0.87 C ATOM 875 C LYS A 142 71.223 5.780 7.538 1.00 0.89 C ATOM 876 O LYS A 142 72.113 5.767 8.366 1.00 1.05 O ATOM 877 CB LYS A 142 70.950 3.461 6.604 1.00 0.89 C ATOM 878 CG LYS A 142 71.912 2.717 7.529 1.00 1.24 C ATOM 879 CD LYS A 142 72.473 1.491 6.806 1.00 1.26 C ATOM 880 CE LYS A 142 72.977 0.477 7.834 1.00 1.55 C ATOM 881 NZ LYS A 142 74.277 1.028 8.310 1.00 1.99 N ATOM 0 H LYS A 142 69.066 4.555 5.614 1.00 0.75 H new ATOM 0 HA LYS A 142 69.977 4.281 8.380 1.00 0.87 H new ATOM 0 HB2 LYS A 142 70.201 2.773 6.211 1.00 0.89 H new ATOM 0 HB3 LYS A 142 71.491 3.866 5.749 1.00 0.89 H new ATOM 0 HG2 LYS A 142 72.725 3.377 7.832 1.00 1.24 H new ATOM 0 HG3 LYS A 142 71.395 2.411 8.438 1.00 1.24 H new ATOM 0 HD2 LYS A 142 71.702 1.039 6.182 1.00 1.26 H new ATOM 0 HD3 LYS A 142 73.286 1.787 6.143 1.00 1.26 H new ATOM 0 HE2 LYS A 142 72.271 0.364 8.657 1.00 1.55 H new ATOM 0 HE3 LYS A 142 73.106 -0.509 7.387 1.00 1.55 H new ATOM 0 HZ1 LYS A 142 75.030 0.328 8.151 1.00 1.99 H new ATOM 0 HZ2 LYS A 142 74.498 1.899 7.786 1.00 1.99 H new ATOM 0 HZ3 LYS A 142 74.212 1.242 9.326 1.00 1.99 H new ATOM 895 N ASN A 143 71.042 6.805 6.753 1.00 0.85 N ATOM 896 CA ASN A 143 71.936 7.994 6.859 1.00 1.05 C ATOM 897 C ASN A 143 71.109 9.282 6.810 1.00 1.07 C ATOM 898 O ASN A 143 71.641 10.369 6.700 1.00 1.56 O ATOM 899 CB ASN A 143 72.861 7.903 5.645 1.00 1.08 C ATOM 900 CG ASN A 143 72.032 7.998 4.364 1.00 1.05 C ATOM 901 OD1 ASN A 143 70.861 8.321 4.407 1.00 0.98 O ATOM 902 ND2 ASN A 143 72.592 7.727 3.217 1.00 1.48 N ATOM 0 H ASN A 143 70.314 6.872 6.042 1.00 0.85 H new ATOM 0 HA ASN A 143 72.494 8.010 7.795 1.00 1.05 H new ATOM 0 HB2 ASN A 143 73.597 8.706 5.675 1.00 1.08 H new ATOM 0 HB3 ASN A 143 73.413 6.963 5.665 1.00 1.08 H new ATOM 0 HD21 ASN A 143 72.047 7.786 2.357 1.00 1.48 H new ATOM 0 HD22 ASN A 143 73.575 7.456 3.181 1.00 1.48 H new ATOM 909 N ASN A 144 69.812 9.168 6.890 1.00 0.78 N ATOM 910 CA ASN A 144 68.952 10.385 6.847 1.00 0.82 C ATOM 911 C ASN A 144 69.375 11.292 5.689 1.00 0.82 C ATOM 912 O ASN A 144 69.955 12.341 5.890 1.00 0.92 O ATOM 913 CB ASN A 144 69.187 11.082 8.187 1.00 0.95 C ATOM 914 CG ASN A 144 68.452 10.326 9.294 1.00 1.47 C ATOM 915 OD1 ASN A 144 68.865 9.138 9.643 1.00 2.28 O flip ATOM 916 ND2 ASN A 144 67.490 10.821 9.849 1.00 1.93 N flip ATOM 0 H ASN A 144 69.310 8.285 6.983 1.00 0.78 H new ATOM 0 HA ASN A 144 67.901 10.143 6.692 1.00 0.82 H new ATOM 0 HB2 ASN A 144 70.254 11.121 8.406 1.00 0.95 H new ATOM 0 HB3 ASN A 144 68.834 12.112 8.140 1.00 0.95 H new ATOM 0 HD21 ASN A 144 67.166 11.749 9.577 1.00 1.93 H new ATOM 0 HD22 ASN A 144 67.007 10.308 10.586 1.00 1.93 H new ATOM 923 N ASP A 145 69.091 10.896 4.478 1.00 0.75 N ATOM 924 CA ASP A 145 69.479 11.737 3.309 1.00 0.78 C ATOM 925 C ASP A 145 68.236 12.134 2.506 1.00 0.74 C ATOM 926 O ASP A 145 68.289 12.997 1.652 1.00 0.81 O ATOM 927 CB ASP A 145 70.400 10.850 2.471 1.00 0.76 C ATOM 928 CG ASP A 145 69.625 9.624 1.982 1.00 1.12 C ATOM 929 OD1 ASP A 145 68.455 9.517 2.309 1.00 1.85 O ATOM 930 OD2 ASP A 145 70.216 8.812 1.289 1.00 1.72 O ATOM 0 H ASP A 145 68.608 10.028 4.247 1.00 0.75 H new ATOM 0 HA ASP A 145 69.969 12.662 3.611 1.00 0.78 H new ATOM 0 HB2 ASP A 145 70.787 11.411 1.621 1.00 0.76 H new ATOM 0 HB3 ASP A 145 71.259 10.537 3.064 1.00 0.76 H new ATOM 935 N GLY A 146 67.120 11.513 2.773 1.00 0.69 N ATOM 936 CA GLY A 146 65.878 11.860 2.023 1.00 0.70 C ATOM 937 C GLY A 146 65.554 10.749 1.023 1.00 0.58 C ATOM 938 O GLY A 146 64.413 10.364 0.858 1.00 0.62 O ATOM 0 H GLY A 146 67.014 10.782 3.476 1.00 0.69 H new ATOM 0 HA2 GLY A 146 65.048 11.992 2.716 1.00 0.70 H new ATOM 0 HA3 GLY A 146 66.010 12.807 1.500 1.00 0.70 H new ATOM 942 N ARG A 147 66.546 10.232 0.351 1.00 0.54 N ATOM 943 CA ARG A 147 66.286 9.149 -0.639 1.00 0.49 C ATOM 944 C ARG A 147 66.737 7.796 -0.082 1.00 0.44 C ATOM 945 O ARG A 147 67.440 7.722 0.906 1.00 0.56 O ATOM 946 CB ARG A 147 67.116 9.526 -1.866 1.00 0.57 C ATOM 947 CG ARG A 147 66.448 10.692 -2.596 1.00 0.78 C ATOM 948 CD ARG A 147 67.472 11.381 -3.501 1.00 0.73 C ATOM 949 NE ARG A 147 66.677 12.313 -4.347 1.00 1.07 N ATOM 950 CZ ARG A 147 67.195 12.807 -5.438 1.00 1.60 C ATOM 951 NH1 ARG A 147 68.491 12.867 -5.573 1.00 2.32 N ATOM 952 NH2 ARG A 147 66.417 13.240 -6.393 1.00 2.22 N ATOM 0 H ARG A 147 67.522 10.512 0.444 1.00 0.54 H new ATOM 0 HA ARG A 147 65.226 9.055 -0.875 1.00 0.49 H new ATOM 0 HB2 ARG A 147 68.126 9.803 -1.564 1.00 0.57 H new ATOM 0 HB3 ARG A 147 67.207 8.669 -2.534 1.00 0.57 H new ATOM 0 HG2 ARG A 147 65.608 10.330 -3.189 1.00 0.78 H new ATOM 0 HG3 ARG A 147 66.046 11.404 -1.875 1.00 0.78 H new ATOM 0 HD2 ARG A 147 68.217 11.919 -2.915 1.00 0.73 H new ATOM 0 HD3 ARG A 147 68.010 10.656 -4.112 1.00 0.73 H new ATOM 0 HE ARG A 147 65.727 12.565 -4.074 1.00 1.07 H new ATOM 0 HH11 ARG A 147 69.098 12.528 -4.826 1.00 2.32 H new ATOM 0 HH12 ARG A 147 68.898 13.253 -6.425 1.00 2.32 H new ATOM 0 HH21 ARG A 147 65.404 13.192 -6.286 1.00 2.22 H new ATOM 0 HH22 ARG A 147 66.823 13.626 -7.246 1.00 2.22 H new ATOM 966 N ILE A 148 66.338 6.726 -0.713 1.00 0.35 N ATOM 967 CA ILE A 148 66.741 5.376 -0.228 1.00 0.36 C ATOM 968 C ILE A 148 67.208 4.517 -1.410 1.00 0.40 C ATOM 969 O ILE A 148 66.497 4.340 -2.380 1.00 0.41 O ATOM 970 CB ILE A 148 65.475 4.795 0.412 1.00 0.35 C ATOM 971 CG1 ILE A 148 65.353 5.312 1.848 1.00 0.40 C ATOM 972 CG2 ILE A 148 65.549 3.264 0.432 1.00 0.43 C ATOM 973 CD1 ILE A 148 64.217 4.577 2.561 1.00 0.40 C ATOM 0 H ILE A 148 65.749 6.729 -1.546 1.00 0.35 H new ATOM 0 HA ILE A 148 67.568 5.410 0.481 1.00 0.36 H new ATOM 0 HB ILE A 148 64.607 5.103 -0.171 1.00 0.35 H new ATOM 0 HG12 ILE A 148 66.291 5.159 2.382 1.00 0.40 H new ATOM 0 HG13 ILE A 148 65.160 6.385 1.844 1.00 0.40 H new ATOM 0 HG21 ILE A 148 64.645 2.862 0.889 1.00 0.43 H new ATOM 0 HG22 ILE A 148 65.637 2.891 -0.588 1.00 0.43 H new ATOM 0 HG23 ILE A 148 66.418 2.949 1.010 1.00 0.43 H new ATOM 0 HD11 ILE A 148 64.130 4.945 3.583 1.00 0.40 H new ATOM 0 HD12 ILE A 148 63.281 4.753 2.031 1.00 0.40 H new ATOM 0 HD13 ILE A 148 64.429 3.508 2.577 1.00 0.40 H new ATOM 985 N ASP A 149 68.399 3.987 -1.337 1.00 0.47 N ATOM 986 CA ASP A 149 68.908 3.145 -2.459 1.00 0.55 C ATOM 987 C ASP A 149 68.834 1.658 -2.089 1.00 0.58 C ATOM 988 O ASP A 149 68.225 1.282 -1.107 1.00 0.54 O ATOM 989 CB ASP A 149 70.360 3.587 -2.668 1.00 0.65 C ATOM 990 CG ASP A 149 71.226 3.125 -1.494 1.00 1.32 C ATOM 991 OD1 ASP A 149 70.915 3.485 -0.372 1.00 2.00 O ATOM 992 OD2 ASP A 149 72.192 2.420 -1.741 1.00 2.16 O ATOM 0 H ASP A 149 69.040 4.100 -0.552 1.00 0.47 H new ATOM 0 HA ASP A 149 68.317 3.268 -3.366 1.00 0.55 H new ATOM 0 HB2 ASP A 149 70.744 3.171 -3.599 1.00 0.65 H new ATOM 0 HB3 ASP A 149 70.408 4.672 -2.760 1.00 0.65 H new ATOM 997 N TYR A 150 69.439 0.810 -2.876 1.00 0.67 N ATOM 998 CA TYR A 150 69.393 -0.654 -2.580 1.00 0.73 C ATOM 999 C TYR A 150 70.121 -0.965 -1.268 1.00 0.75 C ATOM 1000 O TYR A 150 70.021 -2.053 -0.737 1.00 0.76 O ATOM 1001 CB TYR A 150 70.106 -1.318 -3.758 1.00 0.84 C ATOM 1002 CG TYR A 150 70.035 -2.819 -3.610 1.00 0.97 C ATOM 1003 CD1 TYR A 150 68.811 -3.438 -3.329 1.00 1.63 C ATOM 1004 CD2 TYR A 150 71.194 -3.592 -3.751 1.00 1.74 C ATOM 1005 CE1 TYR A 150 68.746 -4.830 -3.190 1.00 2.06 C ATOM 1006 CE2 TYR A 150 71.128 -4.984 -3.612 1.00 2.14 C ATOM 1007 CZ TYR A 150 69.904 -5.603 -3.331 1.00 2.02 C ATOM 1008 OH TYR A 150 69.840 -6.974 -3.195 1.00 2.63 O ATOM 0 H TYR A 150 69.964 1.066 -3.712 1.00 0.67 H new ATOM 0 HA TYR A 150 68.371 -1.014 -2.462 1.00 0.73 H new ATOM 0 HB2 TYR A 150 69.643 -1.012 -4.696 1.00 0.84 H new ATOM 0 HB3 TYR A 150 71.146 -0.995 -3.796 1.00 0.84 H new ATOM 0 HD1 TYR A 150 67.917 -2.842 -3.219 1.00 1.63 H new ATOM 0 HD2 TYR A 150 72.139 -3.115 -3.967 1.00 1.74 H new ATOM 0 HE1 TYR A 150 67.802 -5.307 -2.974 1.00 2.06 H new ATOM 0 HE2 TYR A 150 72.022 -5.580 -3.722 1.00 2.14 H new ATOM 0 HH TYR A 150 70.733 -7.358 -3.324 1.00 2.63 H new ATOM 1018 N ASP A 151 70.851 -0.022 -0.744 1.00 0.78 N ATOM 1019 CA ASP A 151 71.583 -0.268 0.532 1.00 0.82 C ATOM 1020 C ASP A 151 70.706 0.114 1.726 1.00 0.74 C ATOM 1021 O ASP A 151 70.317 -0.724 2.515 1.00 0.76 O ATOM 1022 CB ASP A 151 72.816 0.632 0.462 1.00 0.87 C ATOM 1023 CG ASP A 151 73.793 0.081 -0.579 1.00 1.31 C ATOM 1024 OD1 ASP A 151 73.705 -1.099 -0.878 1.00 1.67 O ATOM 1025 OD2 ASP A 151 74.612 0.847 -1.058 1.00 2.08 O ATOM 0 H ASP A 151 70.974 0.909 -1.143 1.00 0.78 H new ATOM 0 HA ASP A 151 71.852 -1.317 0.658 1.00 0.82 H new ATOM 0 HB2 ASP A 151 72.523 1.648 0.199 1.00 0.87 H new ATOM 0 HB3 ASP A 151 73.298 0.682 1.438 1.00 0.87 H new ATOM 1030 N GLU A 152 70.389 1.372 1.862 1.00 0.67 N ATOM 1031 CA GLU A 152 69.534 1.806 3.005 1.00 0.61 C ATOM 1032 C GLU A 152 68.160 1.135 2.919 1.00 0.58 C ATOM 1033 O GLU A 152 67.477 0.968 3.909 1.00 0.58 O ATOM 1034 CB GLU A 152 69.403 3.322 2.846 1.00 0.59 C ATOM 1035 CG GLU A 152 70.793 3.958 2.879 1.00 0.76 C ATOM 1036 CD GLU A 152 70.666 5.474 2.722 1.00 0.75 C ATOM 1037 OE1 GLU A 152 70.360 6.129 3.706 1.00 1.20 O ATOM 1038 OE2 GLU A 152 70.874 5.956 1.620 1.00 1.39 O ATOM 0 H GLU A 152 70.684 2.118 1.232 1.00 0.67 H new ATOM 0 HA GLU A 152 69.961 1.533 3.970 1.00 0.61 H new ATOM 0 HB2 GLU A 152 68.905 3.558 1.906 1.00 0.59 H new ATOM 0 HB3 GLU A 152 68.785 3.731 3.646 1.00 0.59 H new ATOM 0 HG2 GLU A 152 71.291 3.720 3.819 1.00 0.76 H new ATOM 0 HG3 GLU A 152 71.410 3.550 2.079 1.00 0.76 H new ATOM 1045 N PHE A 153 67.755 0.746 1.742 1.00 0.60 N ATOM 1046 CA PHE A 153 66.429 0.079 1.593 1.00 0.61 C ATOM 1047 C PHE A 153 66.471 -1.314 2.225 1.00 0.66 C ATOM 1048 O PHE A 153 65.507 -1.773 2.804 1.00 0.71 O ATOM 1049 CB PHE A 153 66.205 -0.019 0.083 1.00 0.64 C ATOM 1050 CG PHE A 153 65.032 -0.930 -0.195 1.00 0.68 C ATOM 1051 CD1 PHE A 153 63.724 -0.438 -0.100 1.00 1.18 C ATOM 1052 CD2 PHE A 153 65.254 -2.266 -0.551 1.00 1.47 C ATOM 1053 CE1 PHE A 153 62.638 -1.283 -0.361 1.00 1.24 C ATOM 1054 CE2 PHE A 153 64.169 -3.110 -0.811 1.00 1.55 C ATOM 1055 CZ PHE A 153 62.861 -2.619 -0.717 1.00 0.93 C ATOM 0 H PHE A 153 68.283 0.860 0.877 1.00 0.60 H new ATOM 0 HA PHE A 153 65.627 0.628 2.087 1.00 0.61 H new ATOM 0 HB2 PHE A 153 66.016 0.971 -0.332 1.00 0.64 H new ATOM 0 HB3 PHE A 153 67.101 -0.404 -0.404 1.00 0.64 H new ATOM 0 HD1 PHE A 153 63.553 0.592 0.174 1.00 1.18 H new ATOM 0 HD2 PHE A 153 66.263 -2.645 -0.625 1.00 1.47 H new ATOM 0 HE1 PHE A 153 61.629 -0.905 -0.288 1.00 1.24 H new ATOM 0 HE2 PHE A 153 64.340 -4.141 -1.084 1.00 1.55 H new ATOM 0 HZ PHE A 153 62.024 -3.271 -0.919 1.00 0.93 H new ATOM 1065 N LEU A 154 67.584 -1.987 2.121 1.00 0.72 N ATOM 1066 CA LEU A 154 67.689 -3.349 2.720 1.00 0.80 C ATOM 1067 C LEU A 154 67.460 -3.277 4.231 1.00 0.79 C ATOM 1068 O LEU A 154 66.779 -4.103 4.806 1.00 0.82 O ATOM 1069 CB LEU A 154 69.114 -3.809 2.414 1.00 0.92 C ATOM 1070 CG LEU A 154 69.080 -4.885 1.329 1.00 0.85 C ATOM 1071 CD1 LEU A 154 68.133 -6.008 1.756 1.00 1.74 C ATOM 1072 CD2 LEU A 154 68.582 -4.268 0.021 1.00 1.54 C ATOM 0 H LEU A 154 68.424 -1.654 1.648 1.00 0.72 H new ATOM 0 HA LEU A 154 66.946 -4.037 2.317 1.00 0.80 H new ATOM 0 HB2 LEU A 154 69.718 -2.963 2.084 1.00 0.92 H new ATOM 0 HB3 LEU A 154 69.582 -4.202 3.316 1.00 0.92 H new ATOM 0 HG LEU A 154 70.081 -5.290 1.184 1.00 0.85 H new ATOM 0 HD11 LEU A 154 68.108 -6.776 0.983 1.00 1.74 H new ATOM 0 HD12 LEU A 154 68.485 -6.445 2.691 1.00 1.74 H new ATOM 0 HD13 LEU A 154 67.131 -5.604 1.899 1.00 1.74 H new ATOM 0 HD21 LEU A 154 68.556 -5.033 -0.755 1.00 1.54 H new ATOM 0 HD22 LEU A 154 67.580 -3.865 0.167 1.00 1.54 H new ATOM 0 HD23 LEU A 154 69.255 -3.466 -0.282 1.00 1.54 H new ATOM 1084 N GLU A 155 68.024 -2.296 4.879 1.00 0.79 N ATOM 1085 CA GLU A 155 67.837 -2.172 6.352 1.00 0.82 C ATOM 1086 C GLU A 155 66.546 -1.405 6.654 1.00 0.81 C ATOM 1087 O GLU A 155 66.018 -1.461 7.747 1.00 0.90 O ATOM 1088 CB GLU A 155 69.055 -1.389 6.844 1.00 0.85 C ATOM 1089 CG GLU A 155 69.994 -2.327 7.605 1.00 0.95 C ATOM 1090 CD GLU A 155 70.813 -3.150 6.609 1.00 1.67 C ATOM 1091 OE1 GLU A 155 70.225 -3.975 5.930 1.00 2.47 O ATOM 1092 OE2 GLU A 155 72.012 -2.940 6.542 1.00 2.27 O ATOM 0 H GLU A 155 68.606 -1.575 4.453 1.00 0.79 H new ATOM 0 HA GLU A 155 67.754 -3.142 6.842 1.00 0.82 H new ATOM 0 HB2 GLU A 155 69.578 -0.941 5.999 1.00 0.85 H new ATOM 0 HB3 GLU A 155 68.737 -0.572 7.492 1.00 0.85 H new ATOM 0 HG2 GLU A 155 70.658 -1.750 8.249 1.00 0.95 H new ATOM 0 HG3 GLU A 155 69.418 -2.988 8.252 1.00 0.95 H new ATOM 1099 N PHE A 156 66.034 -0.691 5.690 1.00 0.75 N ATOM 1100 CA PHE A 156 64.777 0.079 5.913 1.00 0.78 C ATOM 1101 C PHE A 156 63.635 -0.875 6.283 1.00 0.84 C ATOM 1102 O PHE A 156 62.948 -0.684 7.266 1.00 0.90 O ATOM 1103 CB PHE A 156 64.502 0.773 4.576 1.00 0.78 C ATOM 1104 CG PHE A 156 63.049 1.180 4.496 1.00 0.85 C ATOM 1105 CD1 PHE A 156 62.369 1.581 5.651 1.00 1.27 C ATOM 1106 CD2 PHE A 156 62.384 1.151 3.265 1.00 1.66 C ATOM 1107 CE1 PHE A 156 61.022 1.957 5.574 1.00 1.31 C ATOM 1108 CE2 PHE A 156 61.038 1.527 3.188 1.00 1.77 C ATOM 1109 CZ PHE A 156 60.357 1.929 4.342 1.00 1.10 C ATOM 0 H PHE A 156 66.433 -0.607 4.755 1.00 0.75 H new ATOM 0 HA PHE A 156 64.862 0.796 6.730 1.00 0.78 H new ATOM 0 HB2 PHE A 156 65.140 1.651 4.474 1.00 0.78 H new ATOM 0 HB3 PHE A 156 64.747 0.103 3.752 1.00 0.78 H new ATOM 0 HD1 PHE A 156 62.882 1.601 6.601 1.00 1.27 H new ATOM 0 HD2 PHE A 156 62.909 0.839 2.375 1.00 1.66 H new ATOM 0 HE1 PHE A 156 60.496 2.268 6.465 1.00 1.31 H new ATOM 0 HE2 PHE A 156 60.525 1.507 2.238 1.00 1.77 H new ATOM 0 HZ PHE A 156 59.318 2.218 4.283 1.00 1.10 H new ATOM 1119 N MET A 157 63.429 -1.898 5.501 1.00 0.86 N ATOM 1120 CA MET A 157 62.332 -2.863 5.808 1.00 0.95 C ATOM 1121 C MET A 157 62.742 -3.786 6.959 1.00 0.99 C ATOM 1122 O MET A 157 61.910 -4.346 7.644 1.00 1.12 O ATOM 1123 CB MET A 157 62.137 -3.666 4.522 1.00 0.99 C ATOM 1124 CG MET A 157 60.655 -4.000 4.348 1.00 1.28 C ATOM 1125 SD MET A 157 60.372 -4.634 2.676 1.00 1.48 S ATOM 1126 CE MET A 157 60.778 -3.111 1.785 1.00 1.12 C ATOM 0 H MET A 157 63.971 -2.109 4.663 1.00 0.86 H new ATOM 0 HA MET A 157 61.416 -2.359 6.117 1.00 0.95 H new ATOM 0 HB2 MET A 157 62.495 -3.094 3.666 1.00 0.99 H new ATOM 0 HB3 MET A 157 62.725 -4.583 4.561 1.00 0.99 H new ATOM 0 HG2 MET A 157 60.349 -4.741 5.086 1.00 1.28 H new ATOM 0 HG3 MET A 157 60.048 -3.111 4.519 1.00 1.28 H new ATOM 0 HE1 MET A 157 60.421 -3.184 0.758 1.00 1.12 H new ATOM 0 HE2 MET A 157 60.300 -2.264 2.276 1.00 1.12 H new ATOM 0 HE3 MET A 157 61.858 -2.967 1.784 1.00 1.12 H new ATOM 1136 N LYS A 158 64.019 -3.949 7.178 1.00 0.94 N ATOM 1137 CA LYS A 158 64.478 -4.836 8.286 1.00 1.02 C ATOM 1138 C LYS A 158 63.883 -4.367 9.617 1.00 1.05 C ATOM 1139 O LYS A 158 62.976 -4.973 10.151 1.00 1.20 O ATOM 1140 CB LYS A 158 66.000 -4.698 8.301 1.00 1.07 C ATOM 1141 CG LYS A 158 66.640 -6.085 8.208 1.00 1.26 C ATOM 1142 CD LYS A 158 67.013 -6.381 6.754 1.00 1.53 C ATOM 1143 CE LYS A 158 67.348 -7.866 6.605 1.00 1.45 C ATOM 1144 NZ LYS A 158 66.694 -8.281 5.333 1.00 2.07 N ATOM 0 H LYS A 158 64.763 -3.507 6.639 1.00 0.94 H new ATOM 0 HA LYS A 158 64.165 -5.870 8.144 1.00 1.02 H new ATOM 0 HB2 LYS A 158 66.328 -4.078 7.466 1.00 1.07 H new ATOM 0 HB3 LYS A 158 66.321 -4.198 9.215 1.00 1.07 H new ATOM 0 HG2 LYS A 158 67.528 -6.130 8.838 1.00 1.26 H new ATOM 0 HG3 LYS A 158 65.948 -6.842 8.578 1.00 1.26 H new ATOM 0 HD2 LYS A 158 66.187 -6.116 6.094 1.00 1.53 H new ATOM 0 HD3 LYS A 158 67.867 -5.773 6.456 1.00 1.53 H new ATOM 0 HE2 LYS A 158 68.425 -8.026 6.566 1.00 1.45 H new ATOM 0 HE3 LYS A 158 66.971 -8.443 7.450 1.00 1.45 H new ATOM 0 HZ1 LYS A 158 66.879 -9.290 5.161 1.00 2.07 H new ATOM 0 HZ2 LYS A 158 65.668 -8.124 5.403 1.00 2.07 H new ATOM 0 HZ3 LYS A 158 67.078 -7.720 4.546 1.00 2.07 H new ATOM 1158 N GLY A 159 64.387 -3.290 10.155 1.00 1.04 N ATOM 1159 CA GLY A 159 63.849 -2.781 11.448 1.00 1.14 C ATOM 1160 C GLY A 159 63.140 -1.447 11.214 1.00 1.14 C ATOM 1161 O GLY A 159 63.770 -0.424 11.029 1.00 1.38 O ATOM 0 H GLY A 159 65.148 -2.741 9.755 1.00 1.04 H new ATOM 0 HA2 GLY A 159 63.154 -3.504 11.875 1.00 1.14 H new ATOM 0 HA3 GLY A 159 64.659 -2.654 12.166 1.00 1.14 H new ATOM 1165 N VAL A 160 61.835 -1.448 11.214 1.00 1.42 N ATOM 1166 CA VAL A 160 61.091 -0.174 10.983 1.00 1.48 C ATOM 1167 C VAL A 160 60.075 0.048 12.108 1.00 1.88 C ATOM 1168 O VAL A 160 59.772 1.168 12.471 1.00 2.37 O ATOM 1169 CB VAL A 160 60.364 -0.334 9.634 1.00 1.32 C ATOM 1170 CG1 VAL A 160 60.469 0.972 8.847 1.00 1.35 C ATOM 1171 CG2 VAL A 160 60.991 -1.463 8.804 1.00 1.49 C ATOM 0 H VAL A 160 61.252 -2.272 11.363 1.00 1.42 H new ATOM 0 HA VAL A 160 61.764 0.684 10.969 1.00 1.48 H new ATOM 0 HB VAL A 160 59.321 -0.579 9.832 1.00 1.32 H new ATOM 0 HG11 VAL A 160 59.956 0.863 7.892 1.00 1.35 H new ATOM 0 HG12 VAL A 160 60.008 1.778 9.417 1.00 1.35 H new ATOM 0 HG13 VAL A 160 61.519 1.207 8.670 1.00 1.35 H new ATOM 0 HG21 VAL A 160 60.460 -1.556 7.857 1.00 1.49 H new ATOM 0 HG22 VAL A 160 62.039 -1.234 8.612 1.00 1.49 H new ATOM 0 HG23 VAL A 160 60.919 -2.402 9.354 1.00 1.49 H new ATOM 1181 N GLU A 161 59.547 -1.009 12.662 1.00 2.17 N ATOM 1182 CA GLU A 161 58.550 -0.855 13.761 1.00 2.67 C ATOM 1183 C GLU A 161 59.263 -0.531 15.078 1.00 3.21 C ATOM 1184 O GLU A 161 59.641 -1.463 15.768 1.00 3.74 O ATOM 1185 CB GLU A 161 57.844 -2.209 13.850 1.00 3.19 C ATOM 1186 CG GLU A 161 57.063 -2.461 12.558 1.00 3.64 C ATOM 1187 CD GLU A 161 57.931 -3.261 11.585 1.00 4.40 C ATOM 1188 OE1 GLU A 161 58.307 -4.369 11.930 1.00 4.73 O ATOM 1189 OE2 GLU A 161 58.204 -2.753 10.510 1.00 5.03 O ATOM 1190 OXT GLU A 161 59.418 0.642 15.372 1.00 3.58 O ATOM 0 H GLU A 161 59.762 -1.972 12.402 1.00 2.17 H new ATOM 0 HA GLU A 161 57.848 -0.043 13.572 1.00 2.67 H new ATOM 0 HB2 GLU A 161 58.574 -3.003 14.007 1.00 3.19 H new ATOM 0 HB3 GLU A 161 57.168 -2.224 14.705 1.00 3.19 H new ATOM 0 HG2 GLU A 161 56.145 -3.007 12.776 1.00 3.64 H new ATOM 0 HG3 GLU A 161 56.771 -1.513 12.106 1.00 3.64 H new TER 1197 GLU A 161 HETATM 1198 CA CA A 1 63.076 6.994 -7.489 1.00 0.50 CA HETATM 1199 CA CA A 2 68.995 7.515 2.791 1.00 0.74 CA