USER MOD reduce.3.24.130724 H: found=0, std=0, add=836, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 837 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 Single : A 3 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.145) USER MOD Single : A 4 GLN : amide:sc= -1.63 X(o=-1.6,f=-1.9) USER MOD Single : A 7 SER OG : rot 180:sc= 0.0102 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.161 X(o=-0.16,f=-0.16) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 147:sc= 1.01 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -160:sc= -0.048 (180deg=-0.571) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -155:sc= 0.309 (180deg=0.0941) USER MOD Single : A 43 HIS : no HD1:sc= -0.272 X(o=-0.27,f=-0.0041) USER MOD Single : A 44 SER OG : rot 68:sc= 0.895 USER MOD Single : A 46 SER OG : rot 92:sc= 0.116 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 150:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -0.262 X(o=-0.26,f=-0.21) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 SER OG : rot -44:sc= 0.212 USER MOD Single : A 72 LYS NZ :NH3+ 156:sc= -0.136 (180deg=-0.761) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.557 USER MOD Single : A 76 THR OG1 : rot 105:sc= -0.0199! USER MOD Single : A 78 GLN : amide:sc= -1.5 X(o=-1.5,f=-1.1) USER MOD Single : A 81 LYS NZ :NH3+ -150:sc= -0.146 (180deg=-1.02) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= -0.641 K(o=-0.64,f=0) USER MOD Single : A 85 LYS NZ :NH3+ -176:sc= 0.656 (180deg=0.476) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 ASN : amide:sc= -1.11! C(o=-1.1!,f=-10!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 161:sc= -0.0115 (180deg=-0.366) USER MOD Single : A 100 THR OG1 : rot 81:sc= 0.123 USER MOD Single : A 102 ASN : amide:sc= -0.751 K(o=-0.75,f=-3.1!) USER MOD Single : B 63 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.205) USER MOD Single : B 66 SER OG : rot 180:sc= 0 USER MOD Single : B 68 ASN : amide:sc= -1.71! K(o=-1.7!,f=-0.061) USER MOD ----------------------------------------------------------------- ATOM 36 N LYS A 3 -2.426 -2.226 8.799 1.00 0.20 N ATOM 37 CA LYS A 3 -1.417 -3.249 9.222 1.00 0.18 C ATOM 38 C LYS A 3 -0.054 -2.881 8.631 1.00 0.15 C ATOM 39 O LYS A 3 0.075 -2.630 7.447 1.00 0.16 O ATOM 40 CB LYS A 3 -1.848 -4.622 8.683 1.00 0.19 C ATOM 41 CG LYS A 3 -0.912 -5.734 9.190 1.00 0.20 C ATOM 42 CD LYS A 3 -1.201 -6.057 10.663 1.00 0.81 C ATOM 43 CE LYS A 3 -0.553 -7.394 11.022 1.00 1.03 C ATOM 44 NZ LYS A 3 0.924 -7.270 10.891 1.00 1.67 N ATOM 0 HA LYS A 3 -1.349 -3.281 10.309 1.00 0.18 H new ATOM 0 HB2 LYS A 3 -2.871 -4.834 8.994 1.00 0.19 H new ATOM 0 HB3 LYS A 3 -1.843 -4.606 7.593 1.00 0.19 H new ATOM 0 HG2 LYS A 3 -1.042 -6.630 8.584 1.00 0.20 H new ATOM 0 HG3 LYS A 3 0.126 -5.421 9.078 1.00 0.20 H new ATOM 0 HD2 LYS A 3 -0.811 -5.267 11.304 1.00 0.81 H new ATOM 0 HD3 LYS A 3 -2.277 -6.104 10.833 1.00 0.81 H new ATOM 0 HE2 LYS A 3 -0.818 -7.679 12.040 1.00 1.03 H new ATOM 0 HE3 LYS A 3 -0.924 -8.180 10.365 1.00 1.03 H new ATOM 0 HZ1 LYS A 3 1.381 -8.106 11.308 1.00 1.67 H new ATOM 0 HZ2 LYS A 3 1.179 -7.202 9.885 1.00 1.67 H new ATOM 0 HZ3 LYS A 3 1.246 -6.415 11.388 1.00 1.67 H new ATOM 58 N GLN A 4 0.966 -2.861 9.449 1.00 0.15 N ATOM 59 CA GLN A 4 2.334 -2.526 8.951 1.00 0.14 C ATOM 60 C GLN A 4 3.100 -3.820 8.679 1.00 0.12 C ATOM 61 O GLN A 4 3.280 -4.639 9.559 1.00 0.13 O ATOM 62 CB GLN A 4 3.083 -1.725 10.024 1.00 0.16 C ATOM 63 CG GLN A 4 4.491 -1.376 9.523 1.00 0.17 C ATOM 64 CD GLN A 4 5.211 -0.514 10.564 1.00 0.22 C ATOM 65 OE1 GLN A 4 5.029 -0.696 11.752 1.00 0.29 O ATOM 66 NE2 GLN A 4 6.034 0.418 10.162 1.00 0.31 N ATOM 0 H GLN A 4 0.910 -3.064 10.447 1.00 0.15 H new ATOM 0 HA GLN A 4 2.255 -1.939 8.036 1.00 0.14 H new ATOM 0 HB2 GLN A 4 2.534 -0.813 10.259 1.00 0.16 H new ATOM 0 HB3 GLN A 4 3.148 -2.305 10.945 1.00 0.16 H new ATOM 0 HG2 GLN A 4 5.058 -2.288 9.337 1.00 0.17 H new ATOM 0 HG3 GLN A 4 4.428 -0.842 8.575 1.00 0.17 H new ATOM 0 HE21 GLN A 4 6.185 0.569 9.165 1.00 0.31 H new ATOM 0 HE22 GLN A 4 6.525 0.994 10.846 1.00 0.31 H new ATOM 75 N ILE A 5 3.578 -4.002 7.477 1.00 0.10 N ATOM 76 CA ILE A 5 4.361 -5.231 7.151 1.00 0.10 C ATOM 77 C ILE A 5 5.842 -4.886 7.177 1.00 0.10 C ATOM 78 O ILE A 5 6.318 -4.107 6.375 1.00 0.11 O ATOM 79 CB ILE A 5 3.999 -5.699 5.748 1.00 0.11 C ATOM 80 CG1 ILE A 5 2.480 -5.793 5.615 1.00 0.13 C ATOM 81 CG2 ILE A 5 4.624 -7.061 5.480 1.00 0.15 C ATOM 82 CD1 ILE A 5 1.902 -6.666 6.737 1.00 0.19 C ATOM 0 H ILE A 5 3.459 -3.349 6.702 1.00 0.10 H new ATOM 0 HA ILE A 5 4.138 -6.015 7.875 1.00 0.10 H new ATOM 0 HB ILE A 5 4.381 -4.982 5.021 1.00 0.11 H new ATOM 0 HG12 ILE A 5 2.042 -4.796 5.658 1.00 0.13 H new ATOM 0 HG13 ILE A 5 2.218 -6.215 4.645 1.00 0.13 H new ATOM 0 HG21 ILE A 5 4.361 -7.390 4.475 1.00 0.15 H new ATOM 0 HG22 ILE A 5 5.708 -6.987 5.566 1.00 0.15 H new ATOM 0 HG23 ILE A 5 4.251 -7.782 6.207 1.00 0.15 H new ATOM 0 HD11 ILE A 5 0.819 -6.725 6.631 1.00 0.19 H new ATOM 0 HD12 ILE A 5 2.328 -7.667 6.675 1.00 0.19 H new ATOM 0 HD13 ILE A 5 2.148 -6.227 7.704 1.00 0.19 H new ATOM 94 N GLU A 6 6.581 -5.464 8.083 1.00 0.11 N ATOM 95 CA GLU A 6 8.042 -5.172 8.149 1.00 0.13 C ATOM 96 C GLU A 6 8.816 -6.285 7.429 1.00 0.12 C ATOM 97 O GLU A 6 10.026 -6.249 7.350 1.00 0.13 O ATOM 98 CB GLU A 6 8.488 -5.112 9.619 1.00 0.15 C ATOM 99 CG GLU A 6 7.717 -4.013 10.367 1.00 0.17 C ATOM 100 CD GLU A 6 8.248 -2.634 9.961 1.00 1.45 C ATOM 101 OE1 GLU A 6 9.161 -2.584 9.156 1.00 2.25 O ATOM 102 OE2 GLU A 6 7.733 -1.652 10.472 1.00 2.25 O ATOM 0 H GLU A 6 6.238 -6.125 8.780 1.00 0.11 H new ATOM 0 HA GLU A 6 8.243 -4.215 7.668 1.00 0.13 H new ATOM 0 HB2 GLU A 6 8.316 -6.076 10.098 1.00 0.15 H new ATOM 0 HB3 GLU A 6 9.559 -4.916 9.673 1.00 0.15 H new ATOM 0 HG2 GLU A 6 6.653 -4.084 10.140 1.00 0.17 H new ATOM 0 HG3 GLU A 6 7.823 -4.151 11.443 1.00 0.17 H new ATOM 109 N SER A 7 8.138 -7.279 6.897 1.00 0.12 N ATOM 110 CA SER A 7 8.878 -8.381 6.196 1.00 0.13 C ATOM 111 C SER A 7 8.007 -9.077 5.144 1.00 0.12 C ATOM 112 O SER A 7 6.796 -9.100 5.234 1.00 0.12 O ATOM 113 CB SER A 7 9.316 -9.412 7.237 1.00 0.15 C ATOM 114 OG SER A 7 8.169 -9.933 7.895 1.00 0.15 O ATOM 0 H SER A 7 7.123 -7.374 6.917 1.00 0.12 H new ATOM 0 HA SER A 7 9.736 -7.944 5.685 1.00 0.13 H new ATOM 0 HB2 SER A 7 9.871 -10.218 6.756 1.00 0.15 H new ATOM 0 HB3 SER A 7 9.987 -8.951 7.962 1.00 0.15 H new ATOM 0 HG SER A 7 8.447 -10.595 8.562 1.00 0.15 H new ATOM 120 N LYS A 8 8.631 -9.681 4.160 1.00 0.14 N ATOM 121 CA LYS A 8 7.862 -10.412 3.115 1.00 0.15 C ATOM 122 C LYS A 8 7.107 -11.551 3.791 1.00 0.15 C ATOM 123 O LYS A 8 6.023 -11.918 3.395 1.00 0.16 O ATOM 124 CB LYS A 8 8.825 -10.990 2.076 1.00 0.18 C ATOM 125 CG LYS A 8 8.037 -11.484 0.860 1.00 0.21 C ATOM 126 CD LYS A 8 8.902 -12.450 0.043 1.00 0.43 C ATOM 127 CE LYS A 8 10.222 -11.768 -0.324 1.00 0.80 C ATOM 128 NZ LYS A 8 10.884 -12.508 -1.439 1.00 1.65 N ATOM 0 H LYS A 8 9.644 -9.696 4.040 1.00 0.14 H new ATOM 0 HA LYS A 8 7.167 -9.735 2.617 1.00 0.15 H new ATOM 0 HB2 LYS A 8 9.545 -10.230 1.771 1.00 0.18 H new ATOM 0 HB3 LYS A 8 9.394 -11.812 2.511 1.00 0.18 H new ATOM 0 HG2 LYS A 8 7.124 -11.983 1.184 1.00 0.21 H new ATOM 0 HG3 LYS A 8 7.735 -10.638 0.242 1.00 0.21 H new ATOM 0 HD2 LYS A 8 9.096 -13.356 0.617 1.00 0.43 H new ATOM 0 HD3 LYS A 8 8.373 -12.753 -0.861 1.00 0.43 H new ATOM 0 HE2 LYS A 8 10.038 -10.735 -0.620 1.00 0.80 H new ATOM 0 HE3 LYS A 8 10.880 -11.738 0.545 1.00 0.80 H new ATOM 0 HZ1 LYS A 8 11.780 -12.039 -1.683 1.00 1.65 H new ATOM 0 HZ2 LYS A 8 11.075 -13.486 -1.141 1.00 1.65 H new ATOM 0 HZ3 LYS A 8 10.259 -12.515 -2.270 1.00 1.65 H new ATOM 142 N THR A 9 7.682 -12.114 4.818 1.00 0.15 N ATOM 143 CA THR A 9 7.006 -13.237 5.515 1.00 0.17 C ATOM 144 C THR A 9 5.641 -12.774 6.012 1.00 0.16 C ATOM 145 O THR A 9 4.638 -13.428 5.808 1.00 0.17 O ATOM 146 CB THR A 9 7.860 -13.677 6.704 1.00 0.19 C ATOM 147 OG1 THR A 9 9.155 -14.036 6.243 1.00 0.22 O ATOM 148 CG2 THR A 9 7.206 -14.873 7.401 1.00 0.23 C ATOM 0 H THR A 9 8.588 -11.844 5.201 1.00 0.15 H new ATOM 0 HA THR A 9 6.877 -14.073 4.828 1.00 0.17 H new ATOM 0 HB THR A 9 7.942 -12.856 7.416 1.00 0.19 H new ATOM 0 HG1 THR A 9 9.706 -14.317 7.003 1.00 0.22 H new ATOM 0 HG21 THR A 9 7.820 -15.181 8.247 1.00 0.23 H new ATOM 0 HG22 THR A 9 6.215 -14.590 7.756 1.00 0.23 H new ATOM 0 HG23 THR A 9 7.117 -15.700 6.697 1.00 0.23 H new ATOM 156 N ALA A 10 5.588 -11.645 6.648 1.00 0.15 N ATOM 157 CA ALA A 10 4.278 -11.139 7.129 1.00 0.15 C ATOM 158 C ALA A 10 3.442 -10.723 5.920 1.00 0.14 C ATOM 159 O ALA A 10 2.231 -10.799 5.934 1.00 0.15 O ATOM 160 CB ALA A 10 4.489 -9.945 8.064 1.00 0.17 C ATOM 0 H ALA A 10 6.391 -11.051 6.856 1.00 0.15 H new ATOM 0 HA ALA A 10 3.758 -11.920 7.684 1.00 0.15 H new ATOM 0 HB1 ALA A 10 3.523 -9.580 8.412 1.00 0.17 H new ATOM 0 HB2 ALA A 10 5.090 -10.254 8.919 1.00 0.17 H new ATOM 0 HB3 ALA A 10 5.005 -9.149 7.527 1.00 0.17 H new ATOM 166 N PHE A 11 4.080 -10.278 4.868 1.00 0.14 N ATOM 167 CA PHE A 11 3.315 -9.844 3.663 1.00 0.13 C ATOM 168 C PHE A 11 2.498 -11.017 3.152 1.00 0.14 C ATOM 169 O PHE A 11 1.338 -10.892 2.810 1.00 0.14 O ATOM 170 CB PHE A 11 4.305 -9.432 2.563 1.00 0.14 C ATOM 171 CG PHE A 11 3.566 -8.762 1.422 1.00 0.14 C ATOM 172 CD1 PHE A 11 2.939 -7.529 1.631 1.00 0.14 C ATOM 173 CD2 PHE A 11 3.528 -9.358 0.153 1.00 0.14 C ATOM 174 CE1 PHE A 11 2.270 -6.896 0.578 1.00 0.14 C ATOM 175 CE2 PHE A 11 2.859 -8.723 -0.899 1.00 0.14 C ATOM 176 CZ PHE A 11 2.230 -7.493 -0.687 1.00 0.14 C ATOM 0 H PHE A 11 5.094 -10.197 4.792 1.00 0.14 H new ATOM 0 HA PHE A 11 2.664 -9.008 3.920 1.00 0.13 H new ATOM 0 HB2 PHE A 11 5.052 -8.752 2.972 1.00 0.14 H new ATOM 0 HB3 PHE A 11 4.839 -10.309 2.196 1.00 0.14 H new ATOM 0 HD1 PHE A 11 2.971 -7.065 2.606 1.00 0.14 H new ATOM 0 HD2 PHE A 11 4.015 -10.308 -0.012 1.00 0.14 H new ATOM 0 HE1 PHE A 11 1.784 -5.946 0.742 1.00 0.14 H new ATOM 0 HE2 PHE A 11 2.829 -9.184 -1.875 1.00 0.14 H new ATOM 0 HZ PHE A 11 1.713 -7.003 -1.499 1.00 0.14 H new ATOM 186 N GLN A 12 3.104 -12.159 3.110 1.00 0.14 N ATOM 187 CA GLN A 12 2.391 -13.362 2.628 1.00 0.16 C ATOM 188 C GLN A 12 1.238 -13.679 3.585 1.00 0.15 C ATOM 189 O GLN A 12 0.137 -13.988 3.174 1.00 0.16 O ATOM 190 CB GLN A 12 3.382 -14.528 2.625 1.00 0.18 C ATOM 191 CG GLN A 12 4.497 -14.250 1.614 1.00 0.17 C ATOM 192 CD GLN A 12 3.919 -14.215 0.193 1.00 0.40 C ATOM 193 OE1 GLN A 12 3.867 -13.171 -0.426 1.00 1.12 O ATOM 194 NE2 GLN A 12 3.484 -15.320 -0.355 1.00 1.31 N ATOM 0 H GLN A 12 4.072 -12.313 3.391 1.00 0.14 H new ATOM 0 HA GLN A 12 1.993 -13.198 1.627 1.00 0.16 H new ATOM 0 HB2 GLN A 12 3.805 -14.662 3.621 1.00 0.18 H new ATOM 0 HB3 GLN A 12 2.868 -15.455 2.370 1.00 0.18 H new ATOM 0 HG2 GLN A 12 4.979 -13.299 1.843 1.00 0.17 H new ATOM 0 HG3 GLN A 12 5.264 -15.021 1.685 1.00 0.17 H new ATOM 0 HE21 GLN A 12 3.527 -16.198 0.163 1.00 1.31 H new ATOM 0 HE22 GLN A 12 3.102 -15.304 -1.301 1.00 1.31 H new ATOM 203 N GLU A 13 1.490 -13.595 4.862 1.00 0.16 N ATOM 204 CA GLU A 13 0.427 -13.885 5.871 1.00 0.17 C ATOM 205 C GLU A 13 -0.702 -12.864 5.761 1.00 0.15 C ATOM 206 O GLU A 13 -1.864 -13.189 5.900 1.00 0.16 O ATOM 207 CB GLU A 13 1.041 -13.850 7.279 1.00 0.19 C ATOM 208 CG GLU A 13 1.742 -15.181 7.575 1.00 0.28 C ATOM 209 CD GLU A 13 2.901 -15.391 6.601 1.00 0.95 C ATOM 210 OE1 GLU A 13 2.635 -15.617 5.432 1.00 1.67 O ATOM 211 OE2 GLU A 13 4.036 -15.337 7.044 1.00 1.77 O ATOM 0 H GLU A 13 2.395 -13.336 5.255 1.00 0.16 H new ATOM 0 HA GLU A 13 0.012 -14.875 5.682 1.00 0.17 H new ATOM 0 HB2 GLU A 13 1.754 -13.029 7.354 1.00 0.19 H new ATOM 0 HB3 GLU A 13 0.263 -13.666 8.020 1.00 0.19 H new ATOM 0 HG2 GLU A 13 2.113 -15.186 8.600 1.00 0.28 H new ATOM 0 HG3 GLU A 13 1.031 -16.003 7.489 1.00 0.28 H new ATOM 218 N ALA A 14 -0.367 -11.632 5.535 1.00 0.15 N ATOM 219 CA ALA A 14 -1.416 -10.590 5.433 1.00 0.14 C ATOM 220 C ALA A 14 -2.270 -10.865 4.196 1.00 0.13 C ATOM 221 O ALA A 14 -3.478 -10.747 4.228 1.00 0.13 O ATOM 222 CB ALA A 14 -0.751 -9.217 5.322 1.00 0.15 C ATOM 0 H ALA A 14 0.590 -11.300 5.416 1.00 0.15 H new ATOM 0 HA ALA A 14 -2.051 -10.606 6.318 1.00 0.14 H new ATOM 0 HB1 ALA A 14 -1.518 -8.446 5.247 1.00 0.15 H new ATOM 0 HB2 ALA A 14 -0.140 -9.036 6.207 1.00 0.15 H new ATOM 0 HB3 ALA A 14 -0.120 -9.189 4.434 1.00 0.15 H new ATOM 228 N LEU A 15 -1.662 -11.244 3.105 1.00 0.12 N ATOM 229 CA LEU A 15 -2.468 -11.531 1.891 1.00 0.12 C ATOM 230 C LEU A 15 -3.412 -12.697 2.190 1.00 0.13 C ATOM 231 O LEU A 15 -4.556 -12.707 1.783 1.00 0.13 O ATOM 232 CB LEU A 15 -1.548 -11.930 0.735 1.00 0.13 C ATOM 233 CG LEU A 15 -0.719 -10.720 0.275 1.00 0.13 C ATOM 234 CD1 LEU A 15 0.473 -11.201 -0.563 1.00 0.17 C ATOM 235 CD2 LEU A 15 -1.580 -9.755 -0.561 1.00 0.17 C ATOM 0 H LEU A 15 -0.654 -11.365 3.004 1.00 0.12 H new ATOM 0 HA LEU A 15 -3.033 -10.641 1.615 1.00 0.12 H new ATOM 0 HB2 LEU A 15 -0.885 -12.736 1.050 1.00 0.13 H new ATOM 0 HB3 LEU A 15 -2.141 -12.311 -0.096 1.00 0.13 H new ATOM 0 HG LEU A 15 -0.360 -10.190 1.157 1.00 0.13 H new ATOM 0 HD11 LEU A 15 1.059 -10.342 -0.888 1.00 0.17 H new ATOM 0 HD12 LEU A 15 1.098 -11.860 0.039 1.00 0.17 H new ATOM 0 HD13 LEU A 15 0.109 -11.743 -1.436 1.00 0.17 H new ATOM 0 HD21 LEU A 15 -0.973 -8.906 -0.876 1.00 0.17 H new ATOM 0 HD22 LEU A 15 -1.960 -10.275 -1.440 1.00 0.17 H new ATOM 0 HD23 LEU A 15 -2.417 -9.400 0.041 1.00 0.17 H new ATOM 247 N ASP A 16 -2.933 -13.684 2.904 1.00 0.13 N ATOM 248 CA ASP A 16 -3.792 -14.858 3.229 1.00 0.15 C ATOM 249 C ASP A 16 -4.886 -14.447 4.225 1.00 0.15 C ATOM 250 O ASP A 16 -5.993 -14.948 4.187 1.00 0.16 O ATOM 251 CB ASP A 16 -2.921 -15.974 3.827 1.00 0.17 C ATOM 252 CG ASP A 16 -3.675 -17.307 3.784 1.00 0.19 C ATOM 253 OD1 ASP A 16 -4.020 -17.735 2.695 1.00 1.07 O ATOM 254 OD2 ASP A 16 -3.887 -17.880 4.840 1.00 1.07 O ATOM 0 H ASP A 16 -1.984 -13.726 3.275 1.00 0.13 H new ATOM 0 HA ASP A 16 -4.270 -15.223 2.320 1.00 0.15 H new ATOM 0 HB2 ASP A 16 -1.988 -16.056 3.270 1.00 0.17 H new ATOM 0 HB3 ASP A 16 -2.657 -15.729 4.856 1.00 0.17 H new ATOM 259 N ALA A 17 -4.577 -13.549 5.123 1.00 0.15 N ATOM 260 CA ALA A 17 -5.587 -13.104 6.133 1.00 0.16 C ATOM 261 C ALA A 17 -6.691 -12.285 5.453 1.00 0.15 C ATOM 262 O ALA A 17 -7.852 -12.365 5.806 1.00 0.17 O ATOM 263 CB ALA A 17 -4.890 -12.241 7.188 1.00 0.18 C ATOM 0 H ALA A 17 -3.664 -13.101 5.202 1.00 0.15 H new ATOM 0 HA ALA A 17 -6.036 -13.979 6.603 1.00 0.16 H new ATOM 0 HB1 ALA A 17 -5.619 -11.912 7.929 1.00 0.18 H new ATOM 0 HB2 ALA A 17 -4.112 -12.825 7.679 1.00 0.18 H new ATOM 0 HB3 ALA A 17 -4.442 -11.371 6.708 1.00 0.18 H new ATOM 269 N ALA A 18 -6.335 -11.500 4.480 1.00 0.14 N ATOM 270 CA ALA A 18 -7.352 -10.674 3.773 1.00 0.15 C ATOM 271 C ALA A 18 -8.377 -11.589 3.114 1.00 0.14 C ATOM 272 O ALA A 18 -9.552 -11.288 3.049 1.00 0.17 O ATOM 273 CB ALA A 18 -6.654 -9.850 2.694 1.00 0.15 C ATOM 0 H ALA A 18 -5.379 -11.393 4.141 1.00 0.14 H new ATOM 0 HA ALA A 18 -7.852 -10.016 4.483 1.00 0.15 H new ATOM 0 HB1 ALA A 18 -7.389 -9.240 2.169 1.00 0.15 H new ATOM 0 HB2 ALA A 18 -5.909 -9.202 3.156 1.00 0.15 H new ATOM 0 HB3 ALA A 18 -6.164 -10.518 1.986 1.00 0.15 H new ATOM 279 N GLY A 19 -7.928 -12.702 2.616 1.00 0.16 N ATOM 280 CA GLY A 19 -8.849 -13.653 1.942 1.00 0.20 C ATOM 281 C GLY A 19 -9.373 -13.031 0.646 1.00 0.16 C ATOM 282 O GLY A 19 -8.611 -12.637 -0.214 1.00 0.17 O ATOM 0 H GLY A 19 -6.952 -12.997 2.647 1.00 0.16 H new ATOM 0 HA2 GLY A 19 -8.329 -14.586 1.725 1.00 0.20 H new ATOM 0 HA3 GLY A 19 -9.681 -13.898 2.602 1.00 0.20 H new ATOM 286 N ASP A 20 -10.668 -12.951 0.489 1.00 0.15 N ATOM 287 CA ASP A 20 -11.239 -12.378 -0.767 1.00 0.14 C ATOM 288 C ASP A 20 -11.436 -10.862 -0.628 1.00 0.12 C ATOM 289 O ASP A 20 -11.925 -10.210 -1.527 1.00 0.13 O ATOM 290 CB ASP A 20 -12.586 -13.042 -1.046 1.00 0.15 C ATOM 291 CG ASP A 20 -12.380 -14.550 -1.206 1.00 0.18 C ATOM 292 OD1 ASP A 20 -11.484 -14.930 -1.939 1.00 1.07 O ATOM 293 OD2 ASP A 20 -13.118 -15.300 -0.590 1.00 1.07 O ATOM 0 H ASP A 20 -11.356 -13.258 1.176 1.00 0.15 H new ATOM 0 HA ASP A 20 -10.549 -12.564 -1.590 1.00 0.14 H new ATOM 0 HB2 ASP A 20 -13.280 -12.842 -0.229 1.00 0.15 H new ATOM 0 HB3 ASP A 20 -13.030 -12.626 -1.950 1.00 0.15 H new ATOM 298 N LYS A 21 -11.062 -10.291 0.487 1.00 0.12 N ATOM 299 CA LYS A 21 -11.239 -8.816 0.661 1.00 0.12 C ATOM 300 C LYS A 21 -10.184 -8.067 -0.166 1.00 0.10 C ATOM 301 O LYS A 21 -9.095 -8.560 -0.381 1.00 0.11 O ATOM 302 CB LYS A 21 -11.046 -8.439 2.133 1.00 0.15 C ATOM 303 CG LYS A 21 -12.150 -9.059 3.003 1.00 0.21 C ATOM 304 CD LYS A 21 -12.253 -8.288 4.327 1.00 0.31 C ATOM 305 CE LYS A 21 -13.018 -9.125 5.356 1.00 0.80 C ATOM 306 NZ LYS A 21 -13.199 -8.333 6.604 1.00 1.50 N ATOM 0 H LYS A 21 -10.644 -10.777 1.281 1.00 0.12 H new ATOM 0 HA LYS A 21 -12.242 -8.544 0.331 1.00 0.12 H new ATOM 0 HB2 LYS A 21 -10.070 -8.782 2.476 1.00 0.15 H new ATOM 0 HB3 LYS A 21 -11.058 -7.354 2.240 1.00 0.15 H new ATOM 0 HG2 LYS A 21 -13.104 -9.027 2.476 1.00 0.21 H new ATOM 0 HG3 LYS A 21 -11.928 -10.108 3.197 1.00 0.21 H new ATOM 0 HD2 LYS A 21 -11.256 -8.056 4.702 1.00 0.31 H new ATOM 0 HD3 LYS A 21 -12.762 -7.338 4.166 1.00 0.31 H new ATOM 0 HE2 LYS A 21 -13.988 -9.417 4.954 1.00 0.80 H new ATOM 0 HE3 LYS A 21 -12.472 -10.044 5.571 1.00 0.80 H new ATOM 0 HZ1 LYS A 21 -13.719 -8.901 7.303 1.00 1.50 H new ATOM 0 HZ2 LYS A 21 -12.268 -8.075 6.990 1.00 1.50 H new ATOM 0 HZ3 LYS A 21 -13.737 -7.469 6.392 1.00 1.50 H new ATOM 320 N LEU A 22 -10.495 -6.878 -0.629 1.00 0.11 N ATOM 321 CA LEU A 22 -9.502 -6.106 -1.434 1.00 0.12 C ATOM 322 C LEU A 22 -8.284 -5.860 -0.532 1.00 0.12 C ATOM 323 O LEU A 22 -8.389 -5.881 0.680 1.00 0.14 O ATOM 324 CB LEU A 22 -10.141 -4.762 -1.869 1.00 0.15 C ATOM 325 CG LEU A 22 -9.782 -4.383 -3.324 1.00 0.29 C ATOM 326 CD1 LEU A 22 -10.323 -2.961 -3.646 1.00 0.31 C ATOM 327 CD2 LEU A 22 -8.260 -4.413 -3.550 1.00 0.47 C ATOM 0 H LEU A 22 -11.391 -6.413 -0.483 1.00 0.11 H new ATOM 0 HA LEU A 22 -9.201 -6.647 -2.331 1.00 0.12 H new ATOM 0 HB2 LEU A 22 -11.224 -4.829 -1.771 1.00 0.15 H new ATOM 0 HB3 LEU A 22 -9.808 -3.970 -1.198 1.00 0.15 H new ATOM 0 HG LEU A 22 -10.243 -5.116 -3.986 1.00 0.29 H new ATOM 0 HD11 LEU A 22 -10.067 -2.698 -4.673 1.00 0.31 H new ATOM 0 HD12 LEU A 22 -11.406 -2.948 -3.527 1.00 0.31 H new ATOM 0 HD13 LEU A 22 -9.875 -2.238 -2.964 1.00 0.31 H new ATOM 0 HD21 LEU A 22 -8.040 -4.142 -4.583 1.00 0.47 H new ATOM 0 HD22 LEU A 22 -7.778 -3.703 -2.878 1.00 0.47 H new ATOM 0 HD23 LEU A 22 -7.882 -5.416 -3.350 1.00 0.47 H new ATOM 339 N VAL A 23 -7.133 -5.641 -1.102 1.00 0.11 N ATOM 340 CA VAL A 23 -5.918 -5.407 -0.277 1.00 0.11 C ATOM 341 C VAL A 23 -5.046 -4.370 -0.966 1.00 0.11 C ATOM 342 O VAL A 23 -4.495 -4.618 -2.021 1.00 0.17 O ATOM 343 CB VAL A 23 -5.133 -6.710 -0.147 1.00 0.11 C ATOM 344 CG1 VAL A 23 -3.811 -6.442 0.583 1.00 0.16 C ATOM 345 CG2 VAL A 23 -5.955 -7.729 0.639 1.00 0.12 C ATOM 0 H VAL A 23 -6.982 -5.614 -2.110 1.00 0.11 H new ATOM 0 HA VAL A 23 -6.208 -5.055 0.713 1.00 0.11 H new ATOM 0 HB VAL A 23 -4.924 -7.106 -1.141 1.00 0.11 H new ATOM 0 HG11 VAL A 23 -3.251 -7.373 0.675 1.00 0.16 H new ATOM 0 HG12 VAL A 23 -3.223 -5.719 0.017 1.00 0.16 H new ATOM 0 HG13 VAL A 23 -4.018 -6.043 1.576 1.00 0.16 H new ATOM 0 HG21 VAL A 23 -5.392 -8.658 0.730 1.00 0.12 H new ATOM 0 HG22 VAL A 23 -6.169 -7.335 1.633 1.00 0.12 H new ATOM 0 HG23 VAL A 23 -6.892 -7.922 0.116 1.00 0.12 H new ATOM 355 N VAL A 24 -4.910 -3.209 -0.379 1.00 0.09 N ATOM 356 CA VAL A 24 -4.063 -2.147 -1.000 1.00 0.09 C ATOM 357 C VAL A 24 -2.731 -2.089 -0.251 1.00 0.09 C ATOM 358 O VAL A 24 -2.689 -2.197 0.961 1.00 0.10 O ATOM 359 CB VAL A 24 -4.779 -0.790 -0.899 1.00 0.11 C ATOM 360 CG1 VAL A 24 -3.977 0.280 -1.652 1.00 0.12 C ATOM 361 CG2 VAL A 24 -6.176 -0.903 -1.516 1.00 0.14 C ATOM 0 H VAL A 24 -5.349 -2.950 0.504 1.00 0.09 H new ATOM 0 HA VAL A 24 -3.888 -2.374 -2.052 1.00 0.09 H new ATOM 0 HB VAL A 24 -4.862 -0.507 0.150 1.00 0.11 H new ATOM 0 HG11 VAL A 24 -4.490 1.239 -1.577 1.00 0.12 H new ATOM 0 HG12 VAL A 24 -2.982 0.365 -1.214 1.00 0.12 H new ATOM 0 HG13 VAL A 24 -3.889 -0.003 -2.701 1.00 0.12 H new ATOM 0 HG21 VAL A 24 -6.684 0.059 -1.445 1.00 0.14 H new ATOM 0 HG22 VAL A 24 -6.089 -1.191 -2.564 1.00 0.14 H new ATOM 0 HG23 VAL A 24 -6.751 -1.658 -0.979 1.00 0.14 H new ATOM 371 N VAL A 25 -1.641 -1.937 -0.963 1.00 0.09 N ATOM 372 CA VAL A 25 -0.299 -1.884 -0.300 1.00 0.09 C ATOM 373 C VAL A 25 0.382 -0.570 -0.655 1.00 0.10 C ATOM 374 O VAL A 25 0.632 -0.277 -1.808 1.00 0.11 O ATOM 375 CB VAL A 25 0.553 -3.057 -0.795 1.00 0.09 C ATOM 376 CG1 VAL A 25 1.885 -3.076 -0.045 1.00 0.13 C ATOM 377 CG2 VAL A 25 -0.195 -4.369 -0.542 1.00 0.10 C ATOM 0 H VAL A 25 -1.622 -1.847 -1.979 1.00 0.09 H new ATOM 0 HA VAL A 25 -0.416 -1.951 0.782 1.00 0.09 H new ATOM 0 HB VAL A 25 0.742 -2.944 -1.863 1.00 0.09 H new ATOM 0 HG11 VAL A 25 2.490 -3.911 -0.398 1.00 0.13 H new ATOM 0 HG12 VAL A 25 2.417 -2.142 -0.224 1.00 0.13 H new ATOM 0 HG13 VAL A 25 1.700 -3.189 1.023 1.00 0.13 H new ATOM 0 HG21 VAL A 25 0.409 -5.206 -0.893 1.00 0.10 H new ATOM 0 HG22 VAL A 25 -0.383 -4.480 0.526 1.00 0.10 H new ATOM 0 HG23 VAL A 25 -1.144 -4.356 -1.078 1.00 0.10 H new ATOM 387 N ASP A 26 0.686 0.226 0.332 1.00 0.11 N ATOM 388 CA ASP A 26 1.359 1.533 0.073 1.00 0.12 C ATOM 389 C ASP A 26 2.861 1.414 0.317 1.00 0.14 C ATOM 390 O ASP A 26 3.310 1.330 1.442 1.00 0.20 O ATOM 391 CB ASP A 26 0.788 2.596 1.013 1.00 0.14 C ATOM 392 CG ASP A 26 1.499 3.929 0.763 1.00 0.16 C ATOM 393 OD1 ASP A 26 1.547 4.348 -0.381 1.00 1.04 O ATOM 394 OD2 ASP A 26 2.009 4.494 1.715 1.00 1.05 O ATOM 0 H ASP A 26 0.496 0.027 1.314 1.00 0.11 H new ATOM 0 HA ASP A 26 1.184 1.816 -0.965 1.00 0.12 H new ATOM 0 HB2 ASP A 26 -0.284 2.706 0.848 1.00 0.14 H new ATOM 0 HB3 ASP A 26 0.921 2.289 2.050 1.00 0.14 H new ATOM 399 N PHE A 27 3.647 1.448 -0.724 1.00 0.13 N ATOM 400 CA PHE A 27 5.124 1.391 -0.537 1.00 0.13 C ATOM 401 C PHE A 27 5.603 2.824 -0.399 1.00 0.22 C ATOM 402 O PHE A 27 5.707 3.540 -1.372 1.00 0.73 O ATOM 403 CB PHE A 27 5.792 0.767 -1.769 1.00 0.11 C ATOM 404 CG PHE A 27 5.534 -0.718 -1.812 1.00 0.10 C ATOM 405 CD1 PHE A 27 6.391 -1.592 -1.134 1.00 0.11 C ATOM 406 CD2 PHE A 27 4.447 -1.223 -2.536 1.00 0.12 C ATOM 407 CE1 PHE A 27 6.161 -2.973 -1.177 1.00 0.14 C ATOM 408 CE2 PHE A 27 4.219 -2.605 -2.578 1.00 0.14 C ATOM 409 CZ PHE A 27 5.074 -3.479 -1.899 1.00 0.14 C ATOM 0 H PHE A 27 3.332 1.513 -1.692 1.00 0.13 H new ATOM 0 HA PHE A 27 5.375 0.790 0.337 1.00 0.13 H new ATOM 0 HB2 PHE A 27 5.408 1.236 -2.675 1.00 0.11 H new ATOM 0 HB3 PHE A 27 6.865 0.955 -1.743 1.00 0.11 H new ATOM 0 HD1 PHE A 27 7.230 -1.202 -0.577 1.00 0.11 H new ATOM 0 HD2 PHE A 27 3.786 -0.549 -3.061 1.00 0.12 H new ATOM 0 HE1 PHE A 27 6.822 -3.647 -0.653 1.00 0.14 H new ATOM 0 HE2 PHE A 27 3.381 -2.996 -3.136 1.00 0.14 H new ATOM 0 HZ PHE A 27 4.896 -4.544 -1.932 1.00 0.14 H new ATOM 419 N SER A 28 5.891 3.252 0.798 1.00 0.30 N ATOM 420 CA SER A 28 6.363 4.655 1.006 1.00 0.24 C ATOM 421 C SER A 28 7.640 4.625 1.830 1.00 0.24 C ATOM 422 O SER A 28 7.808 3.790 2.693 1.00 0.28 O ATOM 423 CB SER A 28 5.299 5.448 1.762 1.00 0.27 C ATOM 424 OG SER A 28 4.097 5.480 0.999 1.00 0.29 O ATOM 0 H SER A 28 5.820 2.690 1.647 1.00 0.30 H new ATOM 0 HA SER A 28 6.548 5.127 0.041 1.00 0.24 H new ATOM 0 HB2 SER A 28 5.113 4.992 2.734 1.00 0.27 H new ATOM 0 HB3 SER A 28 5.651 6.463 1.948 1.00 0.27 H new ATOM 0 HG SER A 28 3.326 5.477 1.603 1.00 0.29 H new ATOM 430 N ALA A 29 8.537 5.536 1.589 1.00 0.20 N ATOM 431 CA ALA A 29 9.789 5.555 2.384 1.00 0.21 C ATOM 432 C ALA A 29 9.521 6.346 3.652 1.00 0.22 C ATOM 433 O ALA A 29 9.121 7.493 3.609 1.00 0.22 O ATOM 434 CB ALA A 29 10.905 6.227 1.574 1.00 0.19 C ATOM 0 H ALA A 29 8.457 6.264 0.879 1.00 0.20 H new ATOM 0 HA ALA A 29 10.103 4.541 2.629 1.00 0.21 H new ATOM 0 HB1 ALA A 29 11.824 6.239 2.161 1.00 0.19 H new ATOM 0 HB2 ALA A 29 11.071 5.670 0.652 1.00 0.19 H new ATOM 0 HB3 ALA A 29 10.615 7.250 1.333 1.00 0.19 H new ATOM 440 N THR A 30 9.728 5.749 4.783 1.00 0.23 N ATOM 441 CA THR A 30 9.472 6.488 6.040 1.00 0.24 C ATOM 442 C THR A 30 10.468 7.642 6.142 1.00 0.22 C ATOM 443 O THR A 30 10.154 8.702 6.646 1.00 0.22 O ATOM 444 CB THR A 30 9.646 5.550 7.236 1.00 0.28 C ATOM 445 OG1 THR A 30 9.398 6.267 8.437 1.00 0.30 O ATOM 446 CG2 THR A 30 11.067 4.996 7.262 1.00 0.29 C ATOM 0 H THR A 30 10.060 4.791 4.893 1.00 0.23 H new ATOM 0 HA THR A 30 8.453 6.875 6.041 1.00 0.24 H new ATOM 0 HB THR A 30 8.941 4.723 7.148 1.00 0.28 H new ATOM 0 HG1 THR A 30 9.507 5.667 9.204 1.00 0.30 H new ATOM 0 HG21 THR A 30 11.182 4.329 8.117 1.00 0.29 H new ATOM 0 HG22 THR A 30 11.259 4.443 6.342 1.00 0.29 H new ATOM 0 HG23 THR A 30 11.777 5.819 7.346 1.00 0.29 H new ATOM 454 N TRP A 31 11.667 7.448 5.655 1.00 0.22 N ATOM 455 CA TRP A 31 12.687 8.546 5.722 1.00 0.21 C ATOM 456 C TRP A 31 12.324 9.680 4.757 1.00 0.19 C ATOM 457 O TRP A 31 12.736 10.811 4.934 1.00 0.22 O ATOM 458 CB TRP A 31 14.061 7.999 5.349 1.00 0.23 C ATOM 459 CG TRP A 31 14.050 7.537 3.927 1.00 0.22 C ATOM 460 CD1 TRP A 31 13.954 6.247 3.559 1.00 0.26 C ATOM 461 CD2 TRP A 31 14.124 8.311 2.688 1.00 0.21 C ATOM 462 NE1 TRP A 31 13.989 6.162 2.181 1.00 0.25 N ATOM 463 CE2 TRP A 31 14.085 7.408 1.597 1.00 0.21 C ATOM 464 CE3 TRP A 31 14.225 9.687 2.399 1.00 0.21 C ATOM 465 CZ2 TRP A 31 14.144 7.847 0.275 1.00 0.21 C ATOM 466 CZ3 TRP A 31 14.281 10.133 1.067 1.00 0.23 C ATOM 467 CH2 TRP A 31 14.238 9.215 0.009 1.00 0.21 C ATOM 0 H TRP A 31 11.985 6.584 5.216 1.00 0.22 H new ATOM 0 HA TRP A 31 12.705 8.935 6.740 1.00 0.21 H new ATOM 0 HB2 TRP A 31 14.819 8.770 5.485 1.00 0.23 H new ATOM 0 HB3 TRP A 31 14.325 7.172 6.008 1.00 0.23 H new ATOM 0 HD1 TRP A 31 13.864 5.409 4.235 1.00 0.26 H new ATOM 0 HE1 TRP A 31 13.949 5.286 1.660 1.00 0.25 H new ATOM 0 HE3 TRP A 31 14.260 10.403 3.206 1.00 0.21 H new ATOM 0 HZ2 TRP A 31 14.117 7.135 -0.537 1.00 0.21 H new ATOM 0 HZ3 TRP A 31 14.358 11.190 0.858 1.00 0.23 H new ATOM 0 HH2 TRP A 31 14.278 9.565 -1.012 1.00 0.21 H new ATOM 478 N CYS A 32 11.559 9.392 3.737 1.00 0.18 N ATOM 479 CA CYS A 32 11.174 10.459 2.763 1.00 0.17 C ATOM 480 C CYS A 32 9.960 11.189 3.333 1.00 0.17 C ATOM 481 O CYS A 32 8.891 10.631 3.482 1.00 0.20 O ATOM 482 CB CYS A 32 10.841 9.815 1.400 1.00 0.18 C ATOM 483 SG CYS A 32 10.908 11.051 0.063 1.00 0.26 S ATOM 0 H CYS A 32 11.184 8.465 3.535 1.00 0.18 H new ATOM 0 HA CYS A 32 11.990 11.166 2.609 1.00 0.17 H new ATOM 0 HB2 CYS A 32 11.546 9.010 1.192 1.00 0.18 H new ATOM 0 HB3 CYS A 32 9.848 9.368 1.438 1.00 0.18 H new ATOM 488 N GLY A 33 10.137 12.432 3.687 1.00 0.20 N ATOM 489 CA GLY A 33 9.021 13.210 4.287 1.00 0.23 C ATOM 490 C GLY A 33 7.828 13.291 3.329 1.00 0.21 C ATOM 491 O GLY A 33 6.707 13.042 3.724 1.00 0.22 O ATOM 0 H GLY A 33 11.013 12.944 3.585 1.00 0.20 H new ATOM 0 HA2 GLY A 33 8.710 12.744 5.222 1.00 0.23 H new ATOM 0 HA3 GLY A 33 9.364 14.215 4.531 1.00 0.23 H new ATOM 495 N PRO A 34 8.044 13.649 2.085 1.00 0.21 N ATOM 496 CA PRO A 34 6.916 13.742 1.109 1.00 0.22 C ATOM 497 C PRO A 34 6.085 12.451 1.038 1.00 0.22 C ATOM 498 O PRO A 34 4.884 12.485 0.855 1.00 0.24 O ATOM 499 CB PRO A 34 7.666 14.006 -0.207 1.00 0.29 C ATOM 500 CG PRO A 34 9.059 14.536 0.160 1.00 0.31 C ATOM 501 CD PRO A 34 9.396 14.000 1.559 1.00 0.24 C ATOM 0 HA PRO A 34 6.183 14.505 1.369 1.00 0.22 H new ATOM 0 HB2 PRO A 34 7.745 13.091 -0.794 1.00 0.29 H new ATOM 0 HB3 PRO A 34 7.128 14.731 -0.817 1.00 0.29 H new ATOM 0 HG2 PRO A 34 9.800 14.205 -0.567 1.00 0.31 H new ATOM 0 HG3 PRO A 34 9.070 15.626 0.153 1.00 0.31 H new ATOM 0 HD2 PRO A 34 10.056 13.134 1.517 1.00 0.24 H new ATOM 0 HD3 PRO A 34 9.893 14.749 2.175 1.00 0.24 H new ATOM 509 N ALA A 35 6.718 11.315 1.175 1.00 0.21 N ATOM 510 CA ALA A 35 5.971 10.025 1.109 1.00 0.23 C ATOM 511 C ALA A 35 5.204 9.799 2.414 1.00 0.23 C ATOM 512 O ALA A 35 4.006 9.600 2.418 1.00 0.22 O ATOM 513 CB ALA A 35 6.972 8.883 0.883 1.00 0.24 C ATOM 0 H ALA A 35 7.722 11.225 1.330 1.00 0.21 H new ATOM 0 HA ALA A 35 5.256 10.055 0.287 1.00 0.23 H new ATOM 0 HB1 ALA A 35 6.437 7.935 0.833 1.00 0.24 H new ATOM 0 HB2 ALA A 35 7.507 9.048 -0.052 1.00 0.24 H new ATOM 0 HB3 ALA A 35 7.684 8.855 1.708 1.00 0.24 H new ATOM 519 N LYS A 36 5.886 9.817 3.520 1.00 0.25 N ATOM 520 CA LYS A 36 5.188 9.599 4.814 1.00 0.27 C ATOM 521 C LYS A 36 4.122 10.681 5.006 1.00 0.26 C ATOM 522 O LYS A 36 3.056 10.431 5.522 1.00 0.27 O ATOM 523 CB LYS A 36 6.193 9.648 5.963 1.00 0.33 C ATOM 524 CG LYS A 36 5.502 9.185 7.248 1.00 0.37 C ATOM 525 CD LYS A 36 6.419 9.428 8.450 1.00 0.44 C ATOM 526 CE LYS A 36 5.720 8.934 9.717 1.00 0.89 C ATOM 527 NZ LYS A 36 4.476 9.724 9.938 1.00 1.59 N ATOM 0 H LYS A 36 6.892 9.972 3.586 1.00 0.25 H new ATOM 0 HA LYS A 36 4.711 8.619 4.806 1.00 0.27 H new ATOM 0 HB2 LYS A 36 7.048 9.008 5.743 1.00 0.33 H new ATOM 0 HB3 LYS A 36 6.576 10.661 6.085 1.00 0.33 H new ATOM 0 HG2 LYS A 36 4.564 9.723 7.381 1.00 0.37 H new ATOM 0 HG3 LYS A 36 5.254 8.126 7.177 1.00 0.37 H new ATOM 0 HD2 LYS A 36 7.365 8.905 8.314 1.00 0.44 H new ATOM 0 HD3 LYS A 36 6.652 10.489 8.538 1.00 0.44 H new ATOM 0 HE2 LYS A 36 5.479 7.875 9.623 1.00 0.89 H new ATOM 0 HE3 LYS A 36 6.385 9.035 10.575 1.00 0.89 H new ATOM 0 HZ1 LYS A 36 4.185 9.642 10.933 1.00 1.59 H new ATOM 0 HZ2 LYS A 36 4.654 10.723 9.711 1.00 1.59 H new ATOM 0 HZ3 LYS A 36 3.720 9.359 9.325 1.00 1.59 H new ATOM 541 N MET A 37 4.406 11.883 4.599 1.00 0.28 N ATOM 542 CA MET A 37 3.417 12.986 4.763 1.00 0.30 C ATOM 543 C MET A 37 2.129 12.647 4.018 1.00 0.25 C ATOM 544 O MET A 37 1.062 13.092 4.382 1.00 0.25 O ATOM 545 CB MET A 37 4.005 14.282 4.210 1.00 0.38 C ATOM 546 CG MET A 37 3.096 15.454 4.585 1.00 0.44 C ATOM 547 SD MET A 37 3.671 16.951 3.744 1.00 1.54 S ATOM 548 CE MET A 37 4.833 17.499 5.017 1.00 2.10 C ATOM 0 H MET A 37 5.285 12.153 4.157 1.00 0.28 H new ATOM 0 HA MET A 37 3.191 13.111 5.822 1.00 0.30 H new ATOM 0 HB2 MET A 37 5.006 14.441 4.612 1.00 0.38 H new ATOM 0 HB3 MET A 37 4.103 14.216 3.126 1.00 0.38 H new ATOM 0 HG2 MET A 37 2.067 15.236 4.301 1.00 0.44 H new ATOM 0 HG3 MET A 37 3.104 15.604 5.665 1.00 0.44 H new ATOM 0 HE1 MET A 37 5.311 18.426 4.699 1.00 2.10 H new ATOM 0 HE2 MET A 37 4.296 17.669 5.950 1.00 2.10 H new ATOM 0 HE3 MET A 37 5.593 16.733 5.170 1.00 2.10 H new ATOM 558 N ILE A 38 2.230 11.885 2.970 1.00 0.23 N ATOM 559 CA ILE A 38 1.024 11.512 2.175 1.00 0.25 C ATOM 560 C ILE A 38 0.258 10.369 2.847 1.00 0.26 C ATOM 561 O ILE A 38 -0.775 9.948 2.366 1.00 0.31 O ATOM 562 CB ILE A 38 1.466 11.074 0.770 1.00 0.33 C ATOM 563 CG1 ILE A 38 1.999 12.293 0.009 1.00 0.34 C ATOM 564 CG2 ILE A 38 0.280 10.467 0.001 1.00 0.35 C ATOM 565 CD1 ILE A 38 2.852 11.827 -1.166 1.00 0.49 C ATOM 0 H ILE A 38 3.107 11.498 2.623 1.00 0.23 H new ATOM 0 HA ILE A 38 0.364 12.377 2.111 1.00 0.25 H new ATOM 0 HB ILE A 38 2.248 10.320 0.860 1.00 0.33 H new ATOM 0 HG12 ILE A 38 1.169 12.902 -0.349 1.00 0.34 H new ATOM 0 HG13 ILE A 38 2.591 12.921 0.675 1.00 0.34 H new ATOM 0 HG21 ILE A 38 0.609 10.161 -0.992 1.00 0.35 H new ATOM 0 HG22 ILE A 38 -0.098 9.599 0.541 1.00 0.35 H new ATOM 0 HG23 ILE A 38 -0.512 11.210 -0.091 1.00 0.35 H new ATOM 0 HD11 ILE A 38 3.231 12.694 -1.707 1.00 0.49 H new ATOM 0 HD12 ILE A 38 3.690 11.236 -0.796 1.00 0.49 H new ATOM 0 HD13 ILE A 38 2.246 11.217 -1.836 1.00 0.49 H new ATOM 577 N LYS A 39 0.760 9.818 3.920 1.00 0.27 N ATOM 578 CA LYS A 39 0.042 8.669 4.542 1.00 0.34 C ATOM 579 C LYS A 39 -1.350 9.018 5.126 1.00 0.30 C ATOM 580 O LYS A 39 -2.156 8.128 5.256 1.00 0.33 O ATOM 581 CB LYS A 39 0.892 7.957 5.624 1.00 0.46 C ATOM 582 CG LYS A 39 0.880 8.702 6.984 1.00 0.50 C ATOM 583 CD LYS A 39 1.693 7.932 8.053 1.00 0.65 C ATOM 584 CE LYS A 39 1.320 6.441 8.080 1.00 0.80 C ATOM 585 NZ LYS A 39 1.800 5.828 9.353 1.00 0.75 N ATOM 0 H LYS A 39 1.620 10.107 4.385 1.00 0.27 H new ATOM 0 HA LYS A 39 -0.125 7.989 3.707 1.00 0.34 H new ATOM 0 HB2 LYS A 39 0.516 6.944 5.767 1.00 0.46 H new ATOM 0 HB3 LYS A 39 1.920 7.869 5.272 1.00 0.46 H new ATOM 0 HG2 LYS A 39 1.296 9.701 6.857 1.00 0.50 H new ATOM 0 HG3 LYS A 39 -0.148 8.825 7.325 1.00 0.50 H new ATOM 0 HD2 LYS A 39 2.758 8.038 7.847 1.00 0.65 H new ATOM 0 HD3 LYS A 39 1.513 8.371 9.034 1.00 0.65 H new ATOM 0 HE2 LYS A 39 0.240 6.324 7.993 1.00 0.80 H new ATOM 0 HE3 LYS A 39 1.766 5.929 7.227 1.00 0.80 H new ATOM 0 HZ1 LYS A 39 1.942 4.807 9.215 1.00 0.75 H new ATOM 0 HZ2 LYS A 39 2.700 6.268 9.632 1.00 0.75 H new ATOM 0 HZ3 LYS A 39 1.093 5.981 10.100 1.00 0.75 H new ATOM 599 N PRO A 40 -1.664 10.238 5.541 1.00 0.26 N ATOM 600 CA PRO A 40 -3.001 10.481 6.162 1.00 0.25 C ATOM 601 C PRO A 40 -4.166 10.099 5.249 1.00 0.20 C ATOM 602 O PRO A 40 -5.160 9.593 5.706 1.00 0.21 O ATOM 603 CB PRO A 40 -2.969 11.993 6.419 1.00 0.26 C ATOM 604 CG PRO A 40 -1.499 12.400 6.412 1.00 0.28 C ATOM 605 CD PRO A 40 -0.797 11.448 5.440 1.00 0.27 C ATOM 0 HA PRO A 40 -3.163 9.876 7.054 1.00 0.25 H new ATOM 0 HB2 PRO A 40 -3.524 12.530 5.650 1.00 0.26 H new ATOM 0 HB3 PRO A 40 -3.434 12.234 7.375 1.00 0.26 H new ATOM 0 HG2 PRO A 40 -1.383 13.436 6.094 1.00 0.28 H new ATOM 0 HG3 PRO A 40 -1.069 12.323 7.411 1.00 0.28 H new ATOM 0 HD2 PRO A 40 -0.763 11.847 4.426 1.00 0.27 H new ATOM 0 HD3 PRO A 40 0.232 11.243 5.736 1.00 0.27 H new ATOM 613 N PHE A 41 -4.070 10.336 3.972 1.00 0.16 N ATOM 614 CA PHE A 41 -5.218 9.960 3.102 1.00 0.13 C ATOM 615 C PHE A 41 -5.292 8.437 3.030 1.00 0.13 C ATOM 616 O PHE A 41 -6.339 7.836 3.140 1.00 0.15 O ATOM 617 CB PHE A 41 -5.001 10.500 1.691 1.00 0.14 C ATOM 618 CG PHE A 41 -5.205 11.993 1.656 1.00 0.18 C ATOM 619 CD1 PHE A 41 -4.237 12.842 2.201 1.00 0.25 C ATOM 620 CD2 PHE A 41 -6.356 12.530 1.063 1.00 0.22 C ATOM 621 CE1 PHE A 41 -4.417 14.229 2.157 1.00 0.34 C ATOM 622 CE2 PHE A 41 -6.536 13.918 1.018 1.00 0.31 C ATOM 623 CZ PHE A 41 -5.566 14.767 1.566 1.00 0.37 C ATOM 0 H PHE A 41 -3.271 10.762 3.502 1.00 0.16 H new ATOM 0 HA PHE A 41 -6.138 10.376 3.514 1.00 0.13 H new ATOM 0 HB2 PHE A 41 -3.993 10.257 1.354 1.00 0.14 H new ATOM 0 HB3 PHE A 41 -5.693 10.017 1.001 1.00 0.14 H new ATOM 0 HD1 PHE A 41 -3.350 12.427 2.656 1.00 0.25 H new ATOM 0 HD2 PHE A 41 -7.103 11.874 0.641 1.00 0.22 H new ATOM 0 HE1 PHE A 41 -3.669 14.884 2.579 1.00 0.34 H new ATOM 0 HE2 PHE A 41 -7.422 14.334 0.561 1.00 0.31 H new ATOM 0 HZ PHE A 41 -5.705 15.838 1.532 1.00 0.37 H new ATOM 633 N PHE A 42 -4.163 7.816 2.874 1.00 0.12 N ATOM 634 CA PHE A 42 -4.110 6.334 2.808 1.00 0.13 C ATOM 635 C PHE A 42 -4.576 5.741 4.134 1.00 0.14 C ATOM 636 O PHE A 42 -5.431 4.881 4.189 1.00 0.16 O ATOM 637 CB PHE A 42 -2.667 5.931 2.520 1.00 0.13 C ATOM 638 CG PHE A 42 -2.571 4.436 2.471 1.00 0.12 C ATOM 639 CD1 PHE A 42 -2.985 3.749 1.329 1.00 0.12 C ATOM 640 CD2 PHE A 42 -2.081 3.734 3.577 1.00 0.12 C ATOM 641 CE1 PHE A 42 -2.906 2.356 1.292 1.00 0.13 C ATOM 642 CE2 PHE A 42 -2.001 2.341 3.540 1.00 0.13 C ATOM 643 CZ PHE A 42 -2.415 1.649 2.396 1.00 0.13 C ATOM 0 H PHE A 42 -3.259 8.280 2.788 1.00 0.12 H new ATOM 0 HA PHE A 42 -4.766 5.959 2.022 1.00 0.13 H new ATOM 0 HB2 PHE A 42 -2.340 6.359 1.573 1.00 0.13 H new ATOM 0 HB3 PHE A 42 -2.006 6.324 3.293 1.00 0.13 H new ATOM 0 HD1 PHE A 42 -3.365 4.293 0.477 1.00 0.12 H new ATOM 0 HD2 PHE A 42 -1.765 4.270 4.460 1.00 0.12 H new ATOM 0 HE1 PHE A 42 -3.225 1.822 0.409 1.00 0.13 H new ATOM 0 HE2 PHE A 42 -1.620 1.798 4.393 1.00 0.13 H new ATOM 0 HZ PHE A 42 -2.356 0.571 2.365 1.00 0.13 H new ATOM 653 N HIS A 43 -4.014 6.217 5.197 1.00 0.16 N ATOM 654 CA HIS A 43 -4.385 5.728 6.546 1.00 0.18 C ATOM 655 C HIS A 43 -5.820 6.158 6.875 1.00 0.16 C ATOM 656 O HIS A 43 -6.606 5.388 7.387 1.00 0.16 O ATOM 657 CB HIS A 43 -3.383 6.314 7.544 1.00 0.23 C ATOM 658 CG HIS A 43 -3.723 5.877 8.936 1.00 0.27 C ATOM 659 ND1 HIS A 43 -3.128 4.783 9.541 1.00 0.30 N ATOM 660 CD2 HIS A 43 -4.627 6.363 9.841 1.00 0.28 C ATOM 661 CE1 HIS A 43 -3.686 4.643 10.758 1.00 0.32 C ATOM 662 NE2 HIS A 43 -4.608 5.581 10.992 1.00 0.31 N ATOM 0 H HIS A 43 -3.296 6.941 5.190 1.00 0.16 H new ATOM 0 HA HIS A 43 -4.351 4.640 6.594 1.00 0.18 H new ATOM 0 HB2 HIS A 43 -2.374 5.990 7.290 1.00 0.23 H new ATOM 0 HB3 HIS A 43 -3.393 7.402 7.484 1.00 0.23 H new ATOM 0 HD2 HIS A 43 -5.260 7.224 9.685 1.00 0.28 H new ATOM 0 HE1 HIS A 43 -3.420 3.867 11.460 1.00 0.32 H new ATOM 0 HE2 HIS A 43 -5.175 5.698 11.832 1.00 0.31 H new ATOM 670 N SER A 44 -6.168 7.381 6.590 1.00 0.15 N ATOM 671 CA SER A 44 -7.552 7.853 6.888 1.00 0.15 C ATOM 672 C SER A 44 -8.585 7.016 6.114 1.00 0.13 C ATOM 673 O SER A 44 -9.665 6.750 6.600 1.00 0.15 O ATOM 674 CB SER A 44 -7.698 9.323 6.505 1.00 0.18 C ATOM 675 OG SER A 44 -6.802 10.100 7.286 1.00 0.22 O ATOM 0 H SER A 44 -5.555 8.076 6.163 1.00 0.15 H new ATOM 0 HA SER A 44 -7.732 7.738 7.957 1.00 0.15 H new ATOM 0 HB2 SER A 44 -7.486 9.458 5.444 1.00 0.18 H new ATOM 0 HB3 SER A 44 -8.723 9.654 6.669 1.00 0.18 H new ATOM 0 HG SER A 44 -5.880 9.900 7.022 1.00 0.22 H new ATOM 681 N LEU A 45 -8.285 6.629 4.903 1.00 0.12 N ATOM 682 CA LEU A 45 -9.279 5.841 4.107 1.00 0.14 C ATOM 683 C LEU A 45 -9.563 4.501 4.770 1.00 0.13 C ATOM 684 O LEU A 45 -10.584 3.889 4.527 1.00 0.15 O ATOM 685 CB LEU A 45 -8.756 5.610 2.692 1.00 0.16 C ATOM 686 CG LEU A 45 -8.863 6.920 1.885 1.00 0.18 C ATOM 687 CD1 LEU A 45 -7.920 6.863 0.685 1.00 0.20 C ATOM 688 CD2 LEU A 45 -10.308 7.132 1.389 1.00 0.22 C ATOM 0 H LEU A 45 -7.402 6.821 4.430 1.00 0.12 H new ATOM 0 HA LEU A 45 -10.206 6.413 4.062 1.00 0.14 H new ATOM 0 HB2 LEU A 45 -7.719 5.275 2.726 1.00 0.16 H new ATOM 0 HB3 LEU A 45 -9.330 4.822 2.205 1.00 0.16 H new ATOM 0 HG LEU A 45 -8.586 7.751 2.533 1.00 0.18 H new ATOM 0 HD11 LEU A 45 -7.998 7.790 0.117 1.00 0.20 H new ATOM 0 HD12 LEU A 45 -6.895 6.736 1.033 1.00 0.20 H new ATOM 0 HD13 LEU A 45 -8.193 6.022 0.047 1.00 0.20 H new ATOM 0 HD21 LEU A 45 -10.365 8.061 0.822 1.00 0.22 H new ATOM 0 HD22 LEU A 45 -10.600 6.298 0.750 1.00 0.22 H new ATOM 0 HD23 LEU A 45 -10.982 7.187 2.244 1.00 0.22 H new ATOM 700 N SER A 46 -8.675 4.022 5.590 1.00 0.12 N ATOM 701 CA SER A 46 -8.918 2.711 6.237 1.00 0.12 C ATOM 702 C SER A 46 -10.275 2.762 6.924 1.00 0.14 C ATOM 703 O SER A 46 -11.013 1.799 6.942 1.00 0.16 O ATOM 704 CB SER A 46 -7.829 2.446 7.281 1.00 0.13 C ATOM 705 OG SER A 46 -6.556 2.434 6.645 1.00 0.14 O ATOM 0 H SER A 46 -7.797 4.479 5.838 1.00 0.12 H new ATOM 0 HA SER A 46 -8.900 1.915 5.493 1.00 0.12 H new ATOM 0 HB2 SER A 46 -7.855 3.215 8.053 1.00 0.13 H new ATOM 0 HB3 SER A 46 -8.009 1.492 7.776 1.00 0.13 H new ATOM 0 HG SER A 46 -6.170 3.334 6.670 1.00 0.14 H new ATOM 711 N GLU A 47 -10.616 3.881 7.497 1.00 0.15 N ATOM 712 CA GLU A 47 -11.932 3.987 8.176 1.00 0.18 C ATOM 713 C GLU A 47 -13.013 4.370 7.145 1.00 0.18 C ATOM 714 O GLU A 47 -14.191 4.192 7.389 1.00 0.21 O ATOM 715 CB GLU A 47 -11.856 5.061 9.267 1.00 0.22 C ATOM 716 CG GLU A 47 -10.951 4.578 10.410 1.00 0.23 C ATOM 717 CD GLU A 47 -9.484 4.645 9.967 1.00 1.34 C ATOM 718 OE1 GLU A 47 -9.219 5.252 8.947 1.00 2.05 O ATOM 719 OE2 GLU A 47 -8.653 4.076 10.657 1.00 2.16 O ATOM 0 H GLU A 47 -10.041 4.723 7.524 1.00 0.15 H new ATOM 0 HA GLU A 47 -12.189 3.029 8.628 1.00 0.18 H new ATOM 0 HB2 GLU A 47 -11.466 5.989 8.850 1.00 0.22 H new ATOM 0 HB3 GLU A 47 -12.854 5.277 9.648 1.00 0.22 H new ATOM 0 HG2 GLU A 47 -11.103 5.197 11.294 1.00 0.23 H new ATOM 0 HG3 GLU A 47 -11.212 3.557 10.687 1.00 0.23 H new ATOM 726 N LYS A 48 -12.631 4.882 5.990 1.00 0.17 N ATOM 727 CA LYS A 48 -13.661 5.246 4.965 1.00 0.19 C ATOM 728 C LYS A 48 -14.124 3.963 4.298 1.00 0.18 C ATOM 729 O LYS A 48 -15.281 3.794 3.967 1.00 0.21 O ATOM 730 CB LYS A 48 -13.074 6.191 3.905 1.00 0.20 C ATOM 731 CG LYS A 48 -14.206 6.678 2.989 1.00 0.30 C ATOM 732 CD LYS A 48 -13.637 7.513 1.838 1.00 0.82 C ATOM 733 CE LYS A 48 -14.786 7.988 0.942 1.00 1.03 C ATOM 734 NZ LYS A 48 -14.250 8.860 -0.140 1.00 1.78 N ATOM 0 H LYS A 48 -11.664 5.060 5.720 1.00 0.17 H new ATOM 0 HA LYS A 48 -14.492 5.760 5.448 1.00 0.19 H new ATOM 0 HB2 LYS A 48 -12.587 7.040 4.385 1.00 0.20 H new ATOM 0 HB3 LYS A 48 -12.312 5.675 3.321 1.00 0.20 H new ATOM 0 HG2 LYS A 48 -14.754 5.824 2.591 1.00 0.30 H new ATOM 0 HG3 LYS A 48 -14.916 7.273 3.563 1.00 0.30 H new ATOM 0 HD2 LYS A 48 -13.089 8.369 2.231 1.00 0.82 H new ATOM 0 HD3 LYS A 48 -12.929 6.920 1.258 1.00 0.82 H new ATOM 0 HE2 LYS A 48 -15.301 7.130 0.510 1.00 1.03 H new ATOM 0 HE3 LYS A 48 -15.519 8.535 1.534 1.00 1.03 H new ATOM 0 HZ1 LYS A 48 -15.032 9.181 -0.746 1.00 1.78 H new ATOM 0 HZ2 LYS A 48 -13.777 9.685 0.281 1.00 1.78 H new ATOM 0 HZ3 LYS A 48 -13.566 8.324 -0.711 1.00 1.78 H new ATOM 748 N TYR A 49 -13.211 3.041 4.124 1.00 0.16 N ATOM 749 CA TYR A 49 -13.553 1.719 3.519 1.00 0.17 C ATOM 750 C TYR A 49 -13.091 0.646 4.505 1.00 0.16 C ATOM 751 O TYR A 49 -12.183 -0.117 4.243 1.00 0.16 O ATOM 752 CB TYR A 49 -12.825 1.554 2.175 1.00 0.17 C ATOM 753 CG TYR A 49 -13.341 2.576 1.178 1.00 0.17 C ATOM 754 CD1 TYR A 49 -14.635 2.454 0.642 1.00 0.22 C ATOM 755 CD2 TYR A 49 -12.527 3.648 0.791 1.00 0.19 C ATOM 756 CE1 TYR A 49 -15.106 3.404 -0.277 1.00 0.25 C ATOM 757 CE2 TYR A 49 -12.999 4.594 -0.126 1.00 0.20 C ATOM 758 CZ TYR A 49 -14.288 4.473 -0.659 1.00 0.21 C ATOM 759 OH TYR A 49 -14.753 5.407 -1.563 1.00 0.25 O ATOM 0 H TYR A 49 -12.230 3.151 4.379 1.00 0.16 H new ATOM 0 HA TYR A 49 -14.624 1.638 3.332 1.00 0.17 H new ATOM 0 HB2 TYR A 49 -11.751 1.680 2.315 1.00 0.17 H new ATOM 0 HB3 TYR A 49 -12.980 0.546 1.789 1.00 0.17 H new ATOM 0 HD1 TYR A 49 -15.266 1.629 0.938 1.00 0.22 H new ATOM 0 HD2 TYR A 49 -11.533 3.745 1.201 1.00 0.19 H new ATOM 0 HE1 TYR A 49 -16.100 3.310 -0.689 1.00 0.25 H new ATOM 0 HE2 TYR A 49 -12.368 5.419 -0.423 1.00 0.20 H new ATOM 0 HH TYR A 49 -14.337 6.275 -1.380 1.00 0.25 H new ATOM 769 N SER A 50 -13.718 0.595 5.648 1.00 0.17 N ATOM 770 CA SER A 50 -13.329 -0.399 6.677 1.00 0.18 C ATOM 771 C SER A 50 -13.597 -1.797 6.136 1.00 0.19 C ATOM 772 O SER A 50 -13.220 -2.791 6.723 1.00 0.21 O ATOM 773 CB SER A 50 -14.145 -0.147 7.940 1.00 0.20 C ATOM 774 OG SER A 50 -15.500 -0.510 7.706 1.00 0.22 O ATOM 0 H SER A 50 -14.490 1.207 5.912 1.00 0.17 H new ATOM 0 HA SER A 50 -12.270 -0.309 6.917 1.00 0.18 H new ATOM 0 HB2 SER A 50 -13.740 -0.726 8.770 1.00 0.20 H new ATOM 0 HB3 SER A 50 -14.082 0.904 8.224 1.00 0.20 H new ATOM 0 HG SER A 50 -16.026 -0.350 8.517 1.00 0.22 H new ATOM 780 N ASN A 51 -14.239 -1.875 5.002 1.00 0.20 N ATOM 781 CA ASN A 51 -14.529 -3.198 4.387 1.00 0.23 C ATOM 782 C ASN A 51 -13.373 -3.560 3.446 1.00 0.19 C ATOM 783 O ASN A 51 -13.446 -4.509 2.691 1.00 0.22 O ATOM 784 CB ASN A 51 -15.843 -3.124 3.602 1.00 0.32 C ATOM 785 CG ASN A 51 -16.292 -4.533 3.212 1.00 0.54 C ATOM 786 OD1 ASN A 51 -16.723 -5.302 4.047 1.00 1.13 O ATOM 787 ND2 ASN A 51 -16.198 -4.913 1.964 1.00 0.27 N ATOM 0 H ASN A 51 -14.577 -1.071 4.473 1.00 0.20 H new ATOM 0 HA ASN A 51 -14.628 -3.960 5.160 1.00 0.23 H new ATOM 0 HB2 ASN A 51 -16.612 -2.641 4.206 1.00 0.32 H new ATOM 0 HB3 ASN A 51 -15.710 -2.514 2.708 1.00 0.32 H new ATOM 0 HD21 ASN A 51 -16.486 -5.853 1.694 1.00 0.27 H new ATOM 0 HD22 ASN A 51 -15.836 -4.269 1.261 1.00 0.27 H new ATOM 794 N VAL A 52 -12.303 -2.803 3.506 1.00 0.21 N ATOM 795 CA VAL A 52 -11.109 -3.067 2.647 1.00 0.17 C ATOM 796 C VAL A 52 -9.875 -3.126 3.556 1.00 0.13 C ATOM 797 O VAL A 52 -9.845 -2.497 4.594 1.00 0.14 O ATOM 798 CB VAL A 52 -10.967 -1.938 1.618 1.00 0.19 C ATOM 799 CG1 VAL A 52 -9.597 -2.018 0.932 1.00 0.19 C ATOM 800 CG2 VAL A 52 -12.074 -2.080 0.570 1.00 0.24 C ATOM 0 H VAL A 52 -12.207 -1.999 4.126 1.00 0.21 H new ATOM 0 HA VAL A 52 -11.215 -4.010 2.111 1.00 0.17 H new ATOM 0 HB VAL A 52 -11.052 -0.975 2.122 1.00 0.19 H new ATOM 0 HG11 VAL A 52 -9.507 -1.212 0.204 1.00 0.19 H new ATOM 0 HG12 VAL A 52 -8.810 -1.921 1.679 1.00 0.19 H new ATOM 0 HG13 VAL A 52 -9.500 -2.978 0.425 1.00 0.19 H new ATOM 0 HG21 VAL A 52 -11.982 -1.282 -0.167 1.00 0.24 H new ATOM 0 HG22 VAL A 52 -11.982 -3.045 0.072 1.00 0.24 H new ATOM 0 HG23 VAL A 52 -13.047 -2.014 1.057 1.00 0.24 H new ATOM 810 N ILE A 53 -8.867 -3.891 3.204 1.00 0.11 N ATOM 811 CA ILE A 53 -7.660 -3.984 4.092 1.00 0.09 C ATOM 812 C ILE A 53 -6.546 -3.085 3.522 1.00 0.09 C ATOM 813 O ILE A 53 -6.129 -3.256 2.394 1.00 0.12 O ATOM 814 CB ILE A 53 -7.165 -5.438 4.122 1.00 0.11 C ATOM 815 CG1 ILE A 53 -8.343 -6.389 4.412 1.00 0.13 C ATOM 816 CG2 ILE A 53 -6.091 -5.609 5.218 1.00 0.13 C ATOM 817 CD1 ILE A 53 -9.085 -5.963 5.686 1.00 0.15 C ATOM 0 H ILE A 53 -8.826 -4.449 2.351 1.00 0.11 H new ATOM 0 HA ILE A 53 -7.918 -3.662 5.101 1.00 0.09 H new ATOM 0 HB ILE A 53 -6.733 -5.680 3.151 1.00 0.11 H new ATOM 0 HG12 ILE A 53 -9.032 -6.390 3.567 1.00 0.13 H new ATOM 0 HG13 ILE A 53 -7.974 -7.409 4.524 1.00 0.13 H new ATOM 0 HG21 ILE A 53 -5.746 -6.643 5.231 1.00 0.13 H new ATOM 0 HG22 ILE A 53 -5.249 -4.949 5.009 1.00 0.13 H new ATOM 0 HG23 ILE A 53 -6.518 -5.356 6.188 1.00 0.13 H new ATOM 0 HD11 ILE A 53 -9.912 -6.648 5.871 1.00 0.15 H new ATOM 0 HD12 ILE A 53 -8.398 -5.986 6.532 1.00 0.15 H new ATOM 0 HD13 ILE A 53 -9.472 -4.952 5.561 1.00 0.15 H new ATOM 829 N PHE A 54 -6.058 -2.133 4.290 1.00 0.08 N ATOM 830 CA PHE A 54 -4.962 -1.224 3.790 1.00 0.09 C ATOM 831 C PHE A 54 -3.637 -1.596 4.480 1.00 0.09 C ATOM 832 O PHE A 54 -3.573 -1.689 5.689 1.00 0.12 O ATOM 833 CB PHE A 54 -5.299 0.236 4.146 1.00 0.10 C ATOM 834 CG PHE A 54 -6.504 0.727 3.369 1.00 0.09 C ATOM 835 CD1 PHE A 54 -7.793 0.356 3.766 1.00 0.09 C ATOM 836 CD2 PHE A 54 -6.331 1.574 2.266 1.00 0.10 C ATOM 837 CE1 PHE A 54 -8.906 0.833 3.061 1.00 0.10 C ATOM 838 CE2 PHE A 54 -7.444 2.045 1.559 1.00 0.11 C ATOM 839 CZ PHE A 54 -8.732 1.675 1.958 1.00 0.10 C ATOM 0 H PHE A 54 -6.370 -1.944 5.243 1.00 0.08 H new ATOM 0 HA PHE A 54 -4.872 -1.335 2.709 1.00 0.09 H new ATOM 0 HB2 PHE A 54 -5.495 0.316 5.215 1.00 0.10 H new ATOM 0 HB3 PHE A 54 -4.441 0.873 3.931 1.00 0.10 H new ATOM 0 HD1 PHE A 54 -7.930 -0.297 4.615 1.00 0.09 H new ATOM 0 HD2 PHE A 54 -5.337 1.864 1.961 1.00 0.10 H new ATOM 0 HE1 PHE A 54 -9.901 0.550 3.370 1.00 0.10 H new ATOM 0 HE2 PHE A 54 -7.308 2.694 0.706 1.00 0.11 H new ATOM 0 HZ PHE A 54 -9.592 2.039 1.415 1.00 0.10 H new ATOM 849 N LEU A 55 -2.572 -1.806 3.725 1.00 0.09 N ATOM 850 CA LEU A 55 -1.239 -2.156 4.343 1.00 0.11 C ATOM 851 C LEU A 55 -0.239 -1.033 4.069 1.00 0.10 C ATOM 852 O LEU A 55 -0.207 -0.474 2.991 1.00 0.10 O ATOM 853 CB LEU A 55 -0.648 -3.466 3.759 1.00 0.12 C ATOM 854 CG LEU A 55 -1.440 -4.712 4.210 1.00 0.15 C ATOM 855 CD1 LEU A 55 -2.918 -4.595 3.821 1.00 0.20 C ATOM 856 CD2 LEU A 55 -0.823 -5.977 3.585 1.00 0.22 C ATOM 0 H LEU A 55 -2.569 -1.750 2.707 1.00 0.09 H new ATOM 0 HA LEU A 55 -1.408 -2.291 5.411 1.00 0.11 H new ATOM 0 HB2 LEU A 55 -0.650 -3.410 2.670 1.00 0.12 H new ATOM 0 HB3 LEU A 55 0.392 -3.565 4.071 1.00 0.12 H new ATOM 0 HG LEU A 55 -1.382 -4.783 5.296 1.00 0.15 H new ATOM 0 HD11 LEU A 55 -3.453 -5.486 4.151 1.00 0.20 H new ATOM 0 HD12 LEU A 55 -3.351 -3.715 4.297 1.00 0.20 H new ATOM 0 HD13 LEU A 55 -3.003 -4.501 2.738 1.00 0.20 H new ATOM 0 HD21 LEU A 55 -1.386 -6.853 3.907 1.00 0.22 H new ATOM 0 HD22 LEU A 55 -0.860 -5.901 2.498 1.00 0.22 H new ATOM 0 HD23 LEU A 55 0.214 -6.073 3.907 1.00 0.22 H new ATOM 868 N GLU A 56 0.611 -0.731 5.024 1.00 0.12 N ATOM 869 CA GLU A 56 1.658 0.323 4.818 1.00 0.13 C ATOM 870 C GLU A 56 3.006 -0.394 4.796 1.00 0.13 C ATOM 871 O GLU A 56 3.281 -1.210 5.654 1.00 0.14 O ATOM 872 CB GLU A 56 1.631 1.335 5.966 1.00 0.15 C ATOM 873 CG GLU A 56 2.531 2.523 5.619 1.00 0.17 C ATOM 874 CD GLU A 56 2.641 3.442 6.838 1.00 0.20 C ATOM 875 OE1 GLU A 56 1.650 3.593 7.533 1.00 1.13 O ATOM 876 OE2 GLU A 56 3.712 3.982 7.053 1.00 1.05 O ATOM 0 H GLU A 56 0.624 -1.173 5.943 1.00 0.12 H new ATOM 0 HA GLU A 56 1.480 0.866 3.890 1.00 0.13 H new ATOM 0 HB2 GLU A 56 0.611 1.677 6.140 1.00 0.15 H new ATOM 0 HB3 GLU A 56 1.971 0.864 6.888 1.00 0.15 H new ATOM 0 HG2 GLU A 56 3.519 2.172 5.323 1.00 0.17 H new ATOM 0 HG3 GLU A 56 2.120 3.071 4.771 1.00 0.17 H new ATOM 883 N VAL A 57 3.833 -0.138 3.809 1.00 0.12 N ATOM 884 CA VAL A 57 5.150 -0.863 3.718 1.00 0.12 C ATOM 885 C VAL A 57 6.336 0.118 3.606 1.00 0.11 C ATOM 886 O VAL A 57 6.290 1.092 2.881 1.00 0.13 O ATOM 887 CB VAL A 57 5.108 -1.748 2.474 1.00 0.12 C ATOM 888 CG1 VAL A 57 6.394 -2.569 2.373 1.00 0.15 C ATOM 889 CG2 VAL A 57 3.917 -2.698 2.573 1.00 0.14 C ATOM 0 H VAL A 57 3.658 0.537 3.065 1.00 0.12 H new ATOM 0 HA VAL A 57 5.296 -1.452 4.624 1.00 0.12 H new ATOM 0 HB VAL A 57 5.012 -1.118 1.590 1.00 0.12 H new ATOM 0 HG11 VAL A 57 6.356 -3.197 1.483 1.00 0.15 H new ATOM 0 HG12 VAL A 57 7.250 -1.898 2.307 1.00 0.15 H new ATOM 0 HG13 VAL A 57 6.494 -3.198 3.257 1.00 0.15 H new ATOM 0 HG21 VAL A 57 3.883 -3.332 1.687 1.00 0.14 H new ATOM 0 HG22 VAL A 57 4.021 -3.321 3.461 1.00 0.14 H new ATOM 0 HG23 VAL A 57 2.995 -2.120 2.641 1.00 0.14 H new ATOM 899 N ASP A 58 7.406 -0.161 4.319 1.00 0.10 N ATOM 900 CA ASP A 58 8.627 0.704 4.280 1.00 0.09 C ATOM 901 C ASP A 58 9.646 0.070 3.337 1.00 0.09 C ATOM 902 O ASP A 58 10.105 -1.034 3.557 1.00 0.09 O ATOM 903 CB ASP A 58 9.225 0.753 5.682 1.00 0.10 C ATOM 904 CG ASP A 58 10.322 1.816 5.739 1.00 0.11 C ATOM 905 OD1 ASP A 58 10.743 2.267 4.686 1.00 1.05 O ATOM 906 OD2 ASP A 58 10.724 2.160 6.839 1.00 1.02 O ATOM 0 H ASP A 58 7.482 -0.969 4.937 1.00 0.10 H new ATOM 0 HA ASP A 58 8.372 1.707 3.938 1.00 0.09 H new ATOM 0 HB2 ASP A 58 8.447 0.980 6.411 1.00 0.10 H new ATOM 0 HB3 ASP A 58 9.636 -0.221 5.947 1.00 0.10 H new ATOM 911 N VAL A 59 10.023 0.755 2.302 1.00 0.09 N ATOM 912 CA VAL A 59 11.017 0.172 1.363 1.00 0.10 C ATOM 913 C VAL A 59 12.379 0.122 2.052 1.00 0.11 C ATOM 914 O VAL A 59 13.280 -0.565 1.616 1.00 0.12 O ATOM 915 CB VAL A 59 11.107 1.044 0.108 1.00 0.12 C ATOM 916 CG1 VAL A 59 9.756 1.047 -0.617 1.00 0.14 C ATOM 917 CG2 VAL A 59 11.481 2.470 0.504 1.00 0.16 C ATOM 0 H VAL A 59 9.690 1.689 2.064 1.00 0.09 H new ATOM 0 HA VAL A 59 10.711 -0.835 1.078 1.00 0.10 H new ATOM 0 HB VAL A 59 11.870 0.641 -0.558 1.00 0.12 H new ATOM 0 HG11 VAL A 59 9.824 1.669 -1.510 1.00 0.14 H new ATOM 0 HG12 VAL A 59 9.494 0.028 -0.903 1.00 0.14 H new ATOM 0 HG13 VAL A 59 8.988 1.446 0.046 1.00 0.14 H new ATOM 0 HG21 VAL A 59 11.545 3.091 -0.390 1.00 0.16 H new ATOM 0 HG22 VAL A 59 10.720 2.873 1.172 1.00 0.16 H new ATOM 0 HG23 VAL A 59 12.445 2.465 1.012 1.00 0.16 H new ATOM 927 N ASP A 60 12.545 0.860 3.122 1.00 0.10 N ATOM 928 CA ASP A 60 13.856 0.868 3.835 1.00 0.12 C ATOM 929 C ASP A 60 13.868 -0.129 5.007 1.00 0.13 C ATOM 930 O ASP A 60 14.853 -0.803 5.236 1.00 0.15 O ATOM 931 CB ASP A 60 14.102 2.285 4.346 1.00 0.14 C ATOM 932 CG ASP A 60 14.562 3.175 3.185 1.00 0.16 C ATOM 933 OD1 ASP A 60 13.709 3.753 2.533 1.00 1.08 O ATOM 934 OD2 ASP A 60 15.760 3.263 2.972 1.00 1.07 O ATOM 0 H ASP A 60 11.827 1.457 3.532 1.00 0.10 H new ATOM 0 HA ASP A 60 14.645 0.562 3.147 1.00 0.12 H new ATOM 0 HB2 ASP A 60 13.190 2.687 4.787 1.00 0.14 H new ATOM 0 HB3 ASP A 60 14.858 2.274 5.131 1.00 0.14 H new ATOM 939 N ASP A 61 12.791 -0.242 5.744 1.00 0.13 N ATOM 940 CA ASP A 61 12.764 -1.215 6.889 1.00 0.15 C ATOM 941 C ASP A 61 12.110 -2.508 6.402 1.00 0.14 C ATOM 942 O ASP A 61 12.253 -3.561 6.996 1.00 0.19 O ATOM 943 CB ASP A 61 11.960 -0.622 8.057 1.00 0.16 C ATOM 944 CG ASP A 61 12.617 0.681 8.521 1.00 0.19 C ATOM 945 OD1 ASP A 61 13.721 0.955 8.081 1.00 1.07 O ATOM 946 OD2 ASP A 61 12.003 1.383 9.309 1.00 1.01 O ATOM 0 H ASP A 61 11.933 0.292 5.607 1.00 0.13 H new ATOM 0 HA ASP A 61 13.777 -1.418 7.237 1.00 0.15 H new ATOM 0 HB2 ASP A 61 10.933 -0.433 7.746 1.00 0.16 H new ATOM 0 HB3 ASP A 61 11.918 -1.334 8.881 1.00 0.16 H new ATOM 951 N ALA A 62 11.400 -2.427 5.304 1.00 0.11 N ATOM 952 CA ALA A 62 10.731 -3.624 4.718 1.00 0.12 C ATOM 953 C ALA A 62 11.203 -3.750 3.265 1.00 0.11 C ATOM 954 O ALA A 62 10.442 -4.033 2.362 1.00 0.12 O ATOM 955 CB ALA A 62 9.206 -3.440 4.790 1.00 0.14 C ATOM 0 H ALA A 62 11.255 -1.563 4.781 1.00 0.11 H new ATOM 0 HA ALA A 62 10.985 -4.531 5.267 1.00 0.12 H new ATOM 0 HB1 ALA A 62 8.714 -4.313 4.362 1.00 0.14 H new ATOM 0 HB2 ALA A 62 8.902 -3.325 5.830 1.00 0.14 H new ATOM 0 HB3 ALA A 62 8.920 -2.551 4.228 1.00 0.14 H new ATOM 961 N GLN A 63 12.470 -3.520 3.051 1.00 0.11 N ATOM 962 CA GLN A 63 13.039 -3.585 1.676 1.00 0.12 C ATOM 963 C GLN A 63 12.843 -4.986 1.104 1.00 0.12 C ATOM 964 O GLN A 63 12.776 -5.167 -0.093 1.00 0.14 O ATOM 965 CB GLN A 63 14.538 -3.250 1.733 1.00 0.13 C ATOM 966 CG GLN A 63 15.317 -4.375 2.422 1.00 0.15 C ATOM 967 CD GLN A 63 16.747 -3.894 2.689 1.00 0.77 C ATOM 968 OE1 GLN A 63 17.487 -3.625 1.764 1.00 1.47 O ATOM 969 NE2 GLN A 63 17.169 -3.763 3.916 1.00 1.43 N ATOM 0 H GLN A 63 13.143 -3.287 3.781 1.00 0.11 H new ATOM 0 HA GLN A 63 12.530 -2.866 1.035 1.00 0.12 H new ATOM 0 HB2 GLN A 63 14.921 -3.101 0.724 1.00 0.13 H new ATOM 0 HB3 GLN A 63 14.687 -2.314 2.272 1.00 0.13 H new ATOM 0 HG2 GLN A 63 14.831 -4.652 3.358 1.00 0.15 H new ATOM 0 HG3 GLN A 63 15.330 -5.265 1.793 1.00 0.15 H new ATOM 0 HE21 GLN A 63 16.550 -3.988 4.695 1.00 1.43 H new ATOM 0 HE22 GLN A 63 18.118 -3.435 4.097 1.00 1.43 H new ATOM 978 N ASP A 64 12.736 -5.978 1.936 1.00 0.13 N ATOM 979 CA ASP A 64 12.528 -7.347 1.408 1.00 0.13 C ATOM 980 C ASP A 64 11.194 -7.400 0.662 1.00 0.15 C ATOM 981 O ASP A 64 11.073 -8.034 -0.368 1.00 0.16 O ATOM 982 CB ASP A 64 12.523 -8.356 2.562 1.00 0.17 C ATOM 983 CG ASP A 64 11.573 -7.894 3.669 1.00 0.21 C ATOM 984 OD1 ASP A 64 10.416 -7.676 3.371 1.00 1.02 O ATOM 985 OD2 ASP A 64 12.018 -7.779 4.798 1.00 1.05 O ATOM 0 H ASP A 64 12.783 -5.901 2.952 1.00 0.13 H new ATOM 0 HA ASP A 64 13.338 -7.601 0.724 1.00 0.13 H new ATOM 0 HB2 ASP A 64 12.216 -9.336 2.196 1.00 0.17 H new ATOM 0 HB3 ASP A 64 13.531 -8.466 2.962 1.00 0.17 H new ATOM 990 N VAL A 65 10.193 -6.735 1.167 1.00 0.17 N ATOM 991 CA VAL A 65 8.872 -6.755 0.484 1.00 0.22 C ATOM 992 C VAL A 65 8.949 -5.957 -0.823 1.00 0.22 C ATOM 993 O VAL A 65 8.445 -6.369 -1.848 1.00 0.26 O ATOM 994 CB VAL A 65 7.820 -6.096 1.390 1.00 0.26 C ATOM 995 CG1 VAL A 65 6.425 -6.373 0.832 1.00 0.35 C ATOM 996 CG2 VAL A 65 7.929 -6.645 2.817 1.00 0.32 C ATOM 0 H VAL A 65 10.233 -6.180 2.022 1.00 0.17 H new ATOM 0 HA VAL A 65 8.599 -7.789 0.273 1.00 0.22 H new ATOM 0 HB VAL A 65 7.995 -5.020 1.416 1.00 0.26 H new ATOM 0 HG11 VAL A 65 5.677 -5.906 1.473 1.00 0.35 H new ATOM 0 HG12 VAL A 65 6.347 -5.962 -0.174 1.00 0.35 H new ATOM 0 HG13 VAL A 65 6.254 -7.449 0.798 1.00 0.35 H new ATOM 0 HG21 VAL A 65 7.178 -6.170 3.448 1.00 0.32 H new ATOM 0 HG22 VAL A 65 7.764 -7.722 2.806 1.00 0.32 H new ATOM 0 HG23 VAL A 65 8.922 -6.434 3.213 1.00 0.32 H new ATOM 1006 N ALA A 66 9.563 -4.807 -0.783 1.00 0.19 N ATOM 1007 CA ALA A 66 9.658 -3.961 -2.006 1.00 0.22 C ATOM 1008 C ALA A 66 10.636 -4.561 -3.022 1.00 0.23 C ATOM 1009 O ALA A 66 10.425 -4.477 -4.215 1.00 0.26 O ATOM 1010 CB ALA A 66 10.131 -2.559 -1.615 1.00 0.25 C ATOM 0 H ALA A 66 10.005 -4.415 0.048 1.00 0.19 H new ATOM 0 HA ALA A 66 8.672 -3.913 -2.467 1.00 0.22 H new ATOM 0 HB1 ALA A 66 10.202 -1.937 -2.507 1.00 0.25 H new ATOM 0 HB2 ALA A 66 9.419 -2.116 -0.919 1.00 0.25 H new ATOM 0 HB3 ALA A 66 11.110 -2.625 -1.140 1.00 0.25 H new ATOM 1016 N SER A 67 11.716 -5.139 -2.574 1.00 0.21 N ATOM 1017 CA SER A 67 12.692 -5.706 -3.547 1.00 0.23 C ATOM 1018 C SER A 67 12.006 -6.784 -4.383 1.00 0.23 C ATOM 1019 O SER A 67 12.291 -6.960 -5.551 1.00 0.24 O ATOM 1020 CB SER A 67 13.879 -6.315 -2.797 1.00 0.23 C ATOM 1021 OG SER A 67 13.435 -7.429 -2.027 1.00 0.22 O ATOM 0 H SER A 67 11.963 -5.243 -1.590 1.00 0.21 H new ATOM 0 HA SER A 67 13.053 -4.912 -4.201 1.00 0.23 H new ATOM 0 HB2 SER A 67 14.646 -6.631 -3.504 1.00 0.23 H new ATOM 0 HB3 SER A 67 14.334 -5.568 -2.146 1.00 0.23 H new ATOM 0 HG SER A 67 12.603 -7.196 -1.565 1.00 0.22 H new ATOM 1027 N GLU A 68 11.095 -7.498 -3.789 1.00 0.23 N ATOM 1028 CA GLU A 68 10.371 -8.564 -4.532 1.00 0.25 C ATOM 1029 C GLU A 68 9.554 -7.941 -5.669 1.00 0.22 C ATOM 1030 O GLU A 68 9.408 -8.521 -6.727 1.00 0.24 O ATOM 1031 CB GLU A 68 9.440 -9.306 -3.563 1.00 0.29 C ATOM 1032 CG GLU A 68 8.809 -10.522 -4.261 1.00 0.32 C ATOM 1033 CD GLU A 68 7.685 -10.071 -5.202 1.00 1.27 C ATOM 1034 OE1 GLU A 68 7.220 -8.952 -5.050 1.00 1.96 O ATOM 1035 OE2 GLU A 68 7.302 -10.857 -6.054 1.00 2.06 O ATOM 0 H GLU A 68 10.818 -7.389 -2.813 1.00 0.23 H new ATOM 0 HA GLU A 68 11.087 -9.266 -4.959 1.00 0.25 H new ATOM 0 HB2 GLU A 68 10.000 -9.631 -2.686 1.00 0.29 H new ATOM 0 HB3 GLU A 68 8.658 -8.633 -3.211 1.00 0.29 H new ATOM 0 HG2 GLU A 68 9.570 -11.062 -4.825 1.00 0.32 H new ATOM 0 HG3 GLU A 68 8.414 -11.213 -3.516 1.00 0.32 H new ATOM 1042 N ALA A 69 8.995 -6.779 -5.445 1.00 0.20 N ATOM 1043 CA ALA A 69 8.160 -6.121 -6.497 1.00 0.20 C ATOM 1044 C ALA A 69 9.016 -5.239 -7.418 1.00 0.19 C ATOM 1045 O ALA A 69 8.509 -4.638 -8.344 1.00 0.20 O ATOM 1046 CB ALA A 69 7.104 -5.250 -5.817 1.00 0.23 C ATOM 0 H ALA A 69 9.081 -6.255 -4.574 1.00 0.20 H new ATOM 0 HA ALA A 69 7.692 -6.897 -7.102 1.00 0.20 H new ATOM 0 HB1 ALA A 69 6.489 -4.765 -6.575 1.00 0.23 H new ATOM 0 HB2 ALA A 69 6.473 -5.872 -5.182 1.00 0.23 H new ATOM 0 HB3 ALA A 69 7.595 -4.491 -5.208 1.00 0.23 H new ATOM 1052 N GLU A 70 10.295 -5.137 -7.168 1.00 0.18 N ATOM 1053 CA GLU A 70 11.164 -4.275 -8.031 1.00 0.18 C ATOM 1054 C GLU A 70 10.622 -2.850 -8.040 1.00 0.17 C ATOM 1055 O GLU A 70 10.473 -2.245 -9.084 1.00 0.18 O ATOM 1056 CB GLU A 70 11.207 -4.792 -9.473 1.00 0.22 C ATOM 1057 CG GLU A 70 11.801 -6.194 -9.503 1.00 0.24 C ATOM 1058 CD GLU A 70 13.269 -6.143 -9.075 1.00 1.24 C ATOM 1059 OE1 GLU A 70 13.831 -5.059 -9.082 1.00 2.02 O ATOM 1060 OE2 GLU A 70 13.808 -7.189 -8.748 1.00 2.02 O ATOM 0 H GLU A 70 10.777 -5.612 -6.405 1.00 0.18 H new ATOM 0 HA GLU A 70 12.173 -4.299 -7.619 1.00 0.18 H new ATOM 0 HB2 GLU A 70 10.202 -4.804 -9.894 1.00 0.22 H new ATOM 0 HB3 GLU A 70 11.804 -4.121 -10.091 1.00 0.22 H new ATOM 0 HG2 GLU A 70 11.241 -6.851 -8.837 1.00 0.24 H new ATOM 0 HG3 GLU A 70 11.719 -6.612 -10.506 1.00 0.24 H new ATOM 1067 N VAL A 71 10.332 -2.293 -6.899 1.00 0.15 N ATOM 1068 CA VAL A 71 9.799 -0.905 -6.895 1.00 0.14 C ATOM 1069 C VAL A 71 10.882 0.018 -7.437 1.00 0.14 C ATOM 1070 O VAL A 71 12.022 -0.025 -7.013 1.00 0.16 O ATOM 1071 CB VAL A 71 9.441 -0.477 -5.470 1.00 0.13 C ATOM 1072 CG1 VAL A 71 8.750 0.889 -5.514 1.00 0.14 C ATOM 1073 CG2 VAL A 71 8.495 -1.508 -4.845 1.00 0.15 C ATOM 0 H VAL A 71 10.439 -2.730 -5.984 1.00 0.15 H new ATOM 0 HA VAL A 71 8.901 -0.854 -7.510 1.00 0.14 H new ATOM 0 HB VAL A 71 10.348 -0.411 -4.870 1.00 0.13 H new ATOM 0 HG11 VAL A 71 8.492 1.199 -4.501 1.00 0.14 H new ATOM 0 HG12 VAL A 71 9.422 1.623 -5.958 1.00 0.14 H new ATOM 0 HG13 VAL A 71 7.843 0.819 -6.114 1.00 0.14 H new ATOM 0 HG21 VAL A 71 8.241 -1.201 -3.830 1.00 0.15 H new ATOM 0 HG22 VAL A 71 7.585 -1.576 -5.442 1.00 0.15 H new ATOM 0 HG23 VAL A 71 8.984 -2.482 -4.818 1.00 0.15 H new ATOM 1083 N LYS A 72 10.534 0.842 -8.388 1.00 0.15 N ATOM 1084 CA LYS A 72 11.527 1.772 -8.989 1.00 0.16 C ATOM 1085 C LYS A 72 11.319 3.192 -8.436 1.00 0.15 C ATOM 1086 O LYS A 72 12.148 4.060 -8.623 1.00 0.16 O ATOM 1087 CB LYS A 72 11.354 1.758 -10.516 1.00 0.19 C ATOM 1088 CG LYS A 72 11.604 0.332 -11.069 1.00 0.23 C ATOM 1089 CD LYS A 72 13.115 0.054 -11.184 1.00 0.74 C ATOM 1090 CE LYS A 72 13.346 -1.242 -11.974 1.00 0.88 C ATOM 1091 NZ LYS A 72 12.850 -1.069 -13.367 1.00 1.60 N ATOM 0 H LYS A 72 9.593 0.910 -8.777 1.00 0.15 H new ATOM 0 HA LYS A 72 12.538 1.453 -8.735 1.00 0.16 H new ATOM 0 HB2 LYS A 72 10.348 2.087 -10.779 1.00 0.19 H new ATOM 0 HB3 LYS A 72 12.049 2.461 -10.975 1.00 0.19 H new ATOM 0 HG2 LYS A 72 11.142 -0.405 -10.412 1.00 0.23 H new ATOM 0 HG3 LYS A 72 11.134 0.227 -12.047 1.00 0.23 H new ATOM 0 HD2 LYS A 72 13.611 0.887 -11.682 1.00 0.74 H new ATOM 0 HD3 LYS A 72 13.555 -0.031 -10.190 1.00 0.74 H new ATOM 0 HE2 LYS A 72 14.407 -1.491 -11.983 1.00 0.88 H new ATOM 0 HE3 LYS A 72 12.828 -2.071 -11.492 1.00 0.88 H new ATOM 0 HZ1 LYS A 72 13.342 -1.735 -13.996 1.00 1.60 H new ATOM 0 HZ2 LYS A 72 11.827 -1.255 -13.397 1.00 1.60 H new ATOM 0 HZ3 LYS A 72 13.034 -0.095 -13.682 1.00 1.60 H new ATOM 1105 N ALA A 73 10.227 3.442 -7.754 1.00 0.13 N ATOM 1106 CA ALA A 73 10.000 4.814 -7.199 1.00 0.13 C ATOM 1107 C ALA A 73 8.917 4.777 -6.102 1.00 0.11 C ATOM 1108 O ALA A 73 8.057 3.928 -6.110 1.00 0.12 O ATOM 1109 CB ALA A 73 9.557 5.742 -8.345 1.00 0.14 C ATOM 0 H ALA A 73 9.490 2.764 -7.559 1.00 0.13 H new ATOM 0 HA ALA A 73 10.923 5.186 -6.755 1.00 0.13 H new ATOM 0 HB1 ALA A 73 9.388 6.746 -7.956 1.00 0.14 H new ATOM 0 HB2 ALA A 73 10.335 5.775 -9.108 1.00 0.14 H new ATOM 0 HB3 ALA A 73 8.634 5.363 -8.784 1.00 0.14 H new ATOM 1115 N THR A 74 8.942 5.713 -5.175 1.00 0.11 N ATOM 1116 CA THR A 74 7.906 5.757 -4.083 1.00 0.11 C ATOM 1117 C THR A 74 7.331 7.188 -4.001 1.00 0.12 C ATOM 1118 O THR A 74 8.005 8.126 -4.354 1.00 0.15 O ATOM 1119 CB THR A 74 8.584 5.395 -2.742 1.00 0.12 C ATOM 1120 OG1 THR A 74 9.465 6.440 -2.368 1.00 0.15 O ATOM 1121 CG2 THR A 74 9.361 4.085 -2.867 1.00 0.14 C ATOM 0 H THR A 74 9.641 6.454 -5.128 1.00 0.11 H new ATOM 0 HA THR A 74 7.102 5.051 -4.291 1.00 0.11 H new ATOM 0 HB THR A 74 7.815 5.268 -1.980 1.00 0.12 H new ATOM 0 HG1 THR A 74 9.896 6.216 -1.517 1.00 0.15 H new ATOM 0 HG21 THR A 74 9.831 3.848 -1.912 1.00 0.14 H new ATOM 0 HG22 THR A 74 8.678 3.282 -3.145 1.00 0.14 H new ATOM 0 HG23 THR A 74 10.129 4.189 -3.633 1.00 0.14 H new ATOM 1129 N PRO A 75 6.120 7.385 -3.498 1.00 0.13 N ATOM 1130 CA PRO A 75 5.219 6.286 -3.039 1.00 0.10 C ATOM 1131 C PRO A 75 4.605 5.491 -4.198 1.00 0.09 C ATOM 1132 O PRO A 75 4.278 6.032 -5.235 1.00 0.10 O ATOM 1133 CB PRO A 75 4.140 7.067 -2.261 1.00 0.12 C ATOM 1134 CG PRO A 75 4.186 8.527 -2.738 1.00 0.15 C ATOM 1135 CD PRO A 75 5.573 8.770 -3.359 1.00 0.16 C ATOM 0 HA PRO A 75 5.739 5.528 -2.454 1.00 0.10 H new ATOM 0 HB2 PRO A 75 3.154 6.637 -2.439 1.00 0.12 H new ATOM 0 HB3 PRO A 75 4.324 7.009 -1.188 1.00 0.12 H new ATOM 0 HG2 PRO A 75 3.400 8.716 -3.470 1.00 0.15 H new ATOM 0 HG3 PRO A 75 4.015 9.208 -1.904 1.00 0.15 H new ATOM 0 HD2 PRO A 75 5.502 9.276 -4.322 1.00 0.16 H new ATOM 0 HD3 PRO A 75 6.200 9.390 -2.719 1.00 0.16 H new ATOM 1143 N THR A 76 4.431 4.210 -4.008 1.00 0.09 N ATOM 1144 CA THR A 76 3.814 3.350 -5.062 1.00 0.09 C ATOM 1145 C THR A 76 2.705 2.535 -4.415 1.00 0.10 C ATOM 1146 O THR A 76 2.870 1.997 -3.340 1.00 0.12 O ATOM 1147 CB THR A 76 4.864 2.414 -5.663 1.00 0.10 C ATOM 1148 OG1 THR A 76 5.900 3.186 -6.240 1.00 0.11 O ATOM 1149 CG2 THR A 76 4.219 1.535 -6.736 1.00 0.13 C ATOM 0 H THR A 76 4.694 3.716 -3.155 1.00 0.09 H new ATOM 0 HA THR A 76 3.412 3.971 -5.863 1.00 0.09 H new ATOM 0 HB THR A 76 5.275 1.777 -4.880 1.00 0.10 H new ATOM 0 HG1 THR A 76 6.691 3.156 -5.662 1.00 0.11 H new ATOM 0 HG21 THR A 76 4.970 0.870 -7.161 1.00 0.13 H new ATOM 0 HG22 THR A 76 3.421 0.942 -6.289 1.00 0.13 H new ATOM 0 HG23 THR A 76 3.806 2.166 -7.523 1.00 0.13 H new ATOM 1157 N PHE A 77 1.567 2.458 -5.046 1.00 0.10 N ATOM 1158 CA PHE A 77 0.427 1.688 -4.456 1.00 0.10 C ATOM 1159 C PHE A 77 0.196 0.424 -5.282 1.00 0.10 C ATOM 1160 O PHE A 77 0.109 0.473 -6.494 1.00 0.10 O ATOM 1161 CB PHE A 77 -0.833 2.555 -4.497 1.00 0.13 C ATOM 1162 CG PHE A 77 -0.588 3.839 -3.730 1.00 0.14 C ATOM 1163 CD1 PHE A 77 -0.794 3.898 -2.342 1.00 0.18 C ATOM 1164 CD2 PHE A 77 -0.154 4.980 -4.417 1.00 0.14 C ATOM 1165 CE1 PHE A 77 -0.567 5.099 -1.651 1.00 0.20 C ATOM 1166 CE2 PHE A 77 0.075 6.178 -3.725 1.00 0.16 C ATOM 1167 CZ PHE A 77 -0.132 6.239 -2.343 1.00 0.19 C ATOM 0 H PHE A 77 1.373 2.895 -5.947 1.00 0.10 H new ATOM 0 HA PHE A 77 0.655 1.416 -3.425 1.00 0.10 H new ATOM 0 HB2 PHE A 77 -1.099 2.781 -5.530 1.00 0.13 H new ATOM 0 HB3 PHE A 77 -1.674 2.014 -4.063 1.00 0.13 H new ATOM 0 HD1 PHE A 77 -1.127 3.021 -1.807 1.00 0.18 H new ATOM 0 HD2 PHE A 77 0.005 4.937 -5.484 1.00 0.14 H new ATOM 0 HE1 PHE A 77 -0.728 5.145 -0.584 1.00 0.20 H new ATOM 0 HE2 PHE A 77 0.411 7.054 -4.259 1.00 0.16 H new ATOM 0 HZ PHE A 77 0.043 7.162 -1.810 1.00 0.19 H new ATOM 1177 N GLN A 78 0.086 -0.709 -4.634 1.00 0.09 N ATOM 1178 CA GLN A 78 -0.146 -1.989 -5.367 1.00 0.09 C ATOM 1179 C GLN A 78 -1.401 -2.637 -4.809 1.00 0.08 C ATOM 1180 O GLN A 78 -1.654 -2.612 -3.620 1.00 0.09 O ATOM 1181 CB GLN A 78 1.048 -2.924 -5.159 1.00 0.09 C ATOM 1182 CG GLN A 78 2.266 -2.363 -5.894 1.00 0.12 C ATOM 1183 CD GLN A 78 3.431 -3.350 -5.787 1.00 0.15 C ATOM 1184 OE1 GLN A 78 3.228 -4.547 -5.735 1.00 0.27 O ATOM 1185 NE2 GLN A 78 4.655 -2.897 -5.743 1.00 0.29 N ATOM 0 H GLN A 78 0.148 -0.801 -3.620 1.00 0.09 H new ATOM 0 HA GLN A 78 -0.263 -1.796 -6.433 1.00 0.09 H new ATOM 0 HB2 GLN A 78 1.265 -3.024 -4.096 1.00 0.09 H new ATOM 0 HB3 GLN A 78 0.812 -3.921 -5.531 1.00 0.09 H new ATOM 0 HG2 GLN A 78 2.021 -2.186 -6.941 1.00 0.12 H new ATOM 0 HG3 GLN A 78 2.550 -1.402 -5.466 1.00 0.12 H new ATOM 0 HE21 GLN A 78 4.829 -1.893 -5.786 1.00 0.29 H new ATOM 0 HE22 GLN A 78 5.437 -3.547 -5.665 1.00 0.29 H new ATOM 1194 N PHE A 79 -2.193 -3.207 -5.667 1.00 0.07 N ATOM 1195 CA PHE A 79 -3.457 -3.857 -5.218 1.00 0.07 C ATOM 1196 C PHE A 79 -3.335 -5.358 -5.315 1.00 0.07 C ATOM 1197 O PHE A 79 -2.872 -5.893 -6.301 1.00 0.08 O ATOM 1198 CB PHE A 79 -4.589 -3.399 -6.118 1.00 0.08 C ATOM 1199 CG PHE A 79 -4.770 -1.920 -5.924 1.00 0.09 C ATOM 1200 CD1 PHE A 79 -3.898 -1.025 -6.548 1.00 0.08 C ATOM 1201 CD2 PHE A 79 -5.799 -1.444 -5.110 1.00 0.12 C ATOM 1202 CE1 PHE A 79 -4.059 0.350 -6.361 1.00 0.09 C ATOM 1203 CE2 PHE A 79 -5.961 -0.071 -4.922 1.00 0.14 C ATOM 1204 CZ PHE A 79 -5.092 0.827 -5.547 1.00 0.12 C ATOM 0 H PHE A 79 -2.020 -3.253 -6.671 1.00 0.07 H new ATOM 0 HA PHE A 79 -3.654 -3.580 -4.182 1.00 0.07 H new ATOM 0 HB2 PHE A 79 -4.360 -3.621 -7.160 1.00 0.08 H new ATOM 0 HB3 PHE A 79 -5.509 -3.930 -5.873 1.00 0.08 H new ATOM 0 HD1 PHE A 79 -3.100 -1.396 -7.174 1.00 0.08 H new ATOM 0 HD2 PHE A 79 -6.470 -2.138 -4.626 1.00 0.12 H new ATOM 0 HE1 PHE A 79 -3.387 1.044 -6.844 1.00 0.09 H new ATOM 0 HE2 PHE A 79 -6.758 0.298 -4.293 1.00 0.14 H new ATOM 0 HZ PHE A 79 -5.218 1.890 -5.402 1.00 0.12 H new ATOM 1214 N PHE A 80 -3.786 -6.037 -4.303 1.00 0.08 N ATOM 1215 CA PHE A 80 -3.747 -7.520 -4.303 1.00 0.08 C ATOM 1216 C PHE A 80 -5.143 -8.044 -3.999 1.00 0.09 C ATOM 1217 O PHE A 80 -5.896 -7.445 -3.258 1.00 0.12 O ATOM 1218 CB PHE A 80 -2.759 -8.012 -3.245 1.00 0.09 C ATOM 1219 CG PHE A 80 -1.339 -7.733 -3.688 1.00 0.10 C ATOM 1220 CD1 PHE A 80 -0.724 -6.510 -3.373 1.00 0.11 C ATOM 1221 CD2 PHE A 80 -0.625 -8.712 -4.398 1.00 0.12 C ATOM 1222 CE1 PHE A 80 0.598 -6.271 -3.768 1.00 0.13 C ATOM 1223 CE2 PHE A 80 0.700 -8.470 -4.787 1.00 0.14 C ATOM 1224 CZ PHE A 80 1.310 -7.250 -4.472 1.00 0.15 C ATOM 0 H PHE A 80 -4.186 -5.620 -3.463 1.00 0.08 H new ATOM 0 HA PHE A 80 -3.422 -7.884 -5.277 1.00 0.08 H new ATOM 0 HB2 PHE A 80 -2.956 -7.516 -2.294 1.00 0.09 H new ATOM 0 HB3 PHE A 80 -2.893 -9.081 -3.080 1.00 0.09 H new ATOM 0 HD1 PHE A 80 -1.270 -5.755 -2.827 1.00 0.11 H new ATOM 0 HD2 PHE A 80 -1.097 -9.652 -4.644 1.00 0.12 H new ATOM 0 HE1 PHE A 80 1.070 -5.329 -3.529 1.00 0.13 H new ATOM 0 HE2 PHE A 80 1.250 -9.225 -5.330 1.00 0.14 H new ATOM 0 HZ PHE A 80 2.331 -7.064 -4.772 1.00 0.15 H new ATOM 1234 N LYS A 81 -5.494 -9.159 -4.571 1.00 0.09 N ATOM 1235 CA LYS A 81 -6.840 -9.744 -4.335 1.00 0.12 C ATOM 1236 C LYS A 81 -6.687 -11.262 -4.293 1.00 0.11 C ATOM 1237 O LYS A 81 -6.208 -11.857 -5.232 1.00 0.13 O ATOM 1238 CB LYS A 81 -7.755 -9.351 -5.503 1.00 0.17 C ATOM 1239 CG LYS A 81 -9.214 -9.724 -5.201 1.00 0.26 C ATOM 1240 CD LYS A 81 -9.843 -8.692 -4.257 1.00 0.73 C ATOM 1241 CE LYS A 81 -11.354 -8.900 -4.220 1.00 1.02 C ATOM 1242 NZ LYS A 81 -11.926 -8.635 -5.569 1.00 1.68 N ATOM 0 H LYS A 81 -4.898 -9.697 -5.200 1.00 0.09 H new ATOM 0 HA LYS A 81 -7.269 -9.383 -3.400 1.00 0.12 H new ATOM 0 HB2 LYS A 81 -7.679 -8.279 -5.686 1.00 0.17 H new ATOM 0 HB3 LYS A 81 -7.427 -9.854 -6.413 1.00 0.17 H new ATOM 0 HG2 LYS A 81 -9.784 -9.773 -6.129 1.00 0.26 H new ATOM 0 HG3 LYS A 81 -9.257 -10.715 -4.748 1.00 0.26 H new ATOM 0 HD2 LYS A 81 -9.425 -8.796 -3.256 1.00 0.73 H new ATOM 0 HD3 LYS A 81 -9.611 -7.682 -4.596 1.00 0.73 H new ATOM 0 HE2 LYS A 81 -11.584 -9.919 -3.910 1.00 1.02 H new ATOM 0 HE3 LYS A 81 -11.805 -8.234 -3.485 1.00 1.02 H new ATOM 0 HZ1 LYS A 81 -12.898 -8.278 -5.470 1.00 1.68 H new ATOM 0 HZ2 LYS A 81 -11.345 -7.925 -6.059 1.00 1.68 H new ATOM 0 HZ3 LYS A 81 -11.935 -9.516 -6.121 1.00 1.68 H new ATOM 1256 N LYS A 82 -7.070 -11.887 -3.208 1.00 0.12 N ATOM 1257 CA LYS A 82 -6.934 -13.374 -3.100 1.00 0.13 C ATOM 1258 C LYS A 82 -5.456 -13.775 -3.241 1.00 0.13 C ATOM 1259 O LYS A 82 -5.148 -14.873 -3.663 1.00 0.17 O ATOM 1260 CB LYS A 82 -7.745 -14.071 -4.206 1.00 0.16 C ATOM 1261 CG LYS A 82 -9.238 -13.856 -3.978 1.00 0.20 C ATOM 1262 CD LYS A 82 -10.009 -14.300 -5.218 1.00 0.32 C ATOM 1263 CE LYS A 82 -11.474 -13.916 -5.059 1.00 0.31 C ATOM 1264 NZ LYS A 82 -12.218 -14.321 -6.279 1.00 1.22 N ATOM 0 H LYS A 82 -7.472 -11.431 -2.389 1.00 0.12 H new ATOM 0 HA LYS A 82 -7.313 -13.682 -2.126 1.00 0.13 H new ATOM 0 HB2 LYS A 82 -7.458 -13.677 -5.181 1.00 0.16 H new ATOM 0 HB3 LYS A 82 -7.521 -15.138 -4.215 1.00 0.16 H new ATOM 0 HG2 LYS A 82 -9.570 -14.423 -3.108 1.00 0.20 H new ATOM 0 HG3 LYS A 82 -9.438 -12.805 -3.769 1.00 0.20 H new ATOM 0 HD2 LYS A 82 -9.592 -13.830 -6.108 1.00 0.32 H new ATOM 0 HD3 LYS A 82 -9.915 -15.378 -5.353 1.00 0.32 H new ATOM 0 HE2 LYS A 82 -11.897 -14.404 -4.181 1.00 0.31 H new ATOM 0 HE3 LYS A 82 -11.566 -12.841 -4.902 1.00 0.31 H new ATOM 0 HZ1 LYS A 82 -13.220 -14.061 -6.177 1.00 1.22 H new ATOM 0 HZ2 LYS A 82 -11.817 -13.836 -7.107 1.00 1.22 H new ATOM 0 HZ3 LYS A 82 -12.138 -15.350 -6.409 1.00 1.22 H new ATOM 1278 N GLY A 83 -4.538 -12.908 -2.886 1.00 0.13 N ATOM 1279 CA GLY A 83 -3.089 -13.260 -2.998 1.00 0.16 C ATOM 1280 C GLY A 83 -2.573 -13.013 -4.417 1.00 0.16 C ATOM 1281 O GLY A 83 -1.519 -13.493 -4.783 1.00 0.23 O ATOM 0 H GLY A 83 -4.730 -11.974 -2.524 1.00 0.13 H new ATOM 0 HA2 GLY A 83 -2.511 -12.667 -2.289 1.00 0.16 H new ATOM 0 HA3 GLY A 83 -2.944 -14.307 -2.731 1.00 0.16 H new ATOM 1285 N GLN A 84 -3.297 -12.272 -5.225 1.00 0.12 N ATOM 1286 CA GLN A 84 -2.836 -12.006 -6.625 1.00 0.15 C ATOM 1287 C GLN A 84 -2.827 -10.504 -6.900 1.00 0.12 C ATOM 1288 O GLN A 84 -3.698 -9.784 -6.474 1.00 0.13 O ATOM 1289 CB GLN A 84 -3.781 -12.701 -7.608 1.00 0.20 C ATOM 1290 CG GLN A 84 -3.624 -14.217 -7.485 1.00 0.33 C ATOM 1291 CD GLN A 84 -4.479 -14.897 -8.556 1.00 0.97 C ATOM 1292 OE1 GLN A 84 -4.109 -15.928 -9.084 1.00 0.95 O ATOM 1293 NE2 GLN A 84 -5.616 -14.358 -8.901 1.00 2.07 N ATOM 0 H GLN A 84 -4.187 -11.841 -4.974 1.00 0.12 H new ATOM 0 HA GLN A 84 -1.825 -12.393 -6.749 1.00 0.15 H new ATOM 0 HB2 GLN A 84 -4.812 -12.414 -7.402 1.00 0.20 H new ATOM 0 HB3 GLN A 84 -3.560 -12.384 -8.627 1.00 0.20 H new ATOM 0 HG2 GLN A 84 -2.578 -14.498 -7.605 1.00 0.33 H new ATOM 0 HG3 GLN A 84 -3.931 -14.548 -6.493 1.00 0.33 H new ATOM 0 HE21 GLN A 84 -5.926 -13.493 -8.458 1.00 2.07 H new ATOM 0 HE22 GLN A 84 -6.195 -14.801 -9.614 1.00 2.07 H new ATOM 1302 N LYS A 85 -1.853 -10.030 -7.632 1.00 0.12 N ATOM 1303 CA LYS A 85 -1.788 -8.571 -7.943 1.00 0.12 C ATOM 1304 C LYS A 85 -2.759 -8.262 -9.079 1.00 0.14 C ATOM 1305 O LYS A 85 -2.734 -8.891 -10.120 1.00 0.21 O ATOM 1306 CB LYS A 85 -0.357 -8.211 -8.358 1.00 0.17 C ATOM 1307 CG LYS A 85 -0.235 -6.696 -8.554 1.00 0.20 C ATOM 1308 CD LYS A 85 1.170 -6.343 -9.082 1.00 0.28 C ATOM 1309 CE LYS A 85 1.200 -6.438 -10.612 1.00 1.28 C ATOM 1310 NZ LYS A 85 2.555 -6.066 -11.111 1.00 1.82 N ATOM 0 H LYS A 85 -1.099 -10.591 -8.028 1.00 0.12 H new ATOM 0 HA LYS A 85 -2.064 -7.985 -7.066 1.00 0.12 H new ATOM 0 HB2 LYS A 85 0.347 -8.545 -7.596 1.00 0.17 H new ATOM 0 HB3 LYS A 85 -0.096 -8.728 -9.282 1.00 0.17 H new ATOM 0 HG2 LYS A 85 -0.994 -6.350 -9.256 1.00 0.20 H new ATOM 0 HG3 LYS A 85 -0.417 -6.183 -7.610 1.00 0.20 H new ATOM 0 HD2 LYS A 85 1.442 -5.335 -8.768 1.00 0.28 H new ATOM 0 HD3 LYS A 85 1.908 -7.021 -8.654 1.00 0.28 H new ATOM 0 HE2 LYS A 85 0.951 -7.451 -10.928 1.00 1.28 H new ATOM 0 HE3 LYS A 85 0.449 -5.776 -11.042 1.00 1.28 H new ATOM 0 HZ1 LYS A 85 2.554 -6.065 -12.151 1.00 1.82 H new ATOM 0 HZ2 LYS A 85 2.804 -5.118 -10.764 1.00 1.82 H new ATOM 0 HZ3 LYS A 85 3.253 -6.755 -10.766 1.00 1.82 H new ATOM 1324 N VAL A 86 -3.633 -7.303 -8.874 1.00 0.13 N ATOM 1325 CA VAL A 86 -4.635 -6.944 -9.926 1.00 0.18 C ATOM 1326 C VAL A 86 -4.472 -5.487 -10.351 1.00 0.17 C ATOM 1327 O VAL A 86 -5.316 -4.947 -11.035 1.00 0.22 O ATOM 1328 CB VAL A 86 -6.051 -7.143 -9.376 1.00 0.25 C ATOM 1329 CG1 VAL A 86 -6.294 -8.629 -9.098 1.00 0.30 C ATOM 1330 CG2 VAL A 86 -6.211 -6.350 -8.074 1.00 0.26 C ATOM 0 H VAL A 86 -3.694 -6.752 -8.018 1.00 0.13 H new ATOM 0 HA VAL A 86 -4.472 -7.589 -10.790 1.00 0.18 H new ATOM 0 HB VAL A 86 -6.774 -6.789 -10.111 1.00 0.25 H new ATOM 0 HG11 VAL A 86 -7.302 -8.766 -8.707 1.00 0.30 H new ATOM 0 HG12 VAL A 86 -6.184 -9.195 -10.023 1.00 0.30 H new ATOM 0 HG13 VAL A 86 -5.569 -8.985 -8.366 1.00 0.30 H new ATOM 0 HG21 VAL A 86 -7.219 -6.492 -7.683 1.00 0.26 H new ATOM 0 HG22 VAL A 86 -5.485 -6.702 -7.342 1.00 0.26 H new ATOM 0 HG23 VAL A 86 -6.044 -5.291 -8.270 1.00 0.26 H new ATOM 1340 N GLY A 87 -3.411 -4.835 -9.965 1.00 0.14 N ATOM 1341 CA GLY A 87 -3.254 -3.414 -10.392 1.00 0.17 C ATOM 1342 C GLY A 87 -2.179 -2.699 -9.574 1.00 0.12 C ATOM 1343 O GLY A 87 -1.865 -3.087 -8.468 1.00 0.17 O ATOM 0 H GLY A 87 -2.661 -5.212 -9.386 1.00 0.14 H new ATOM 0 HA2 GLY A 87 -2.992 -3.378 -11.450 1.00 0.17 H new ATOM 0 HA3 GLY A 87 -4.205 -2.892 -10.281 1.00 0.17 H new ATOM 1347 N GLU A 88 -1.627 -1.641 -10.117 1.00 0.11 N ATOM 1348 CA GLU A 88 -0.582 -0.873 -9.382 1.00 0.13 C ATOM 1349 C GLU A 88 -0.360 0.478 -10.060 1.00 0.11 C ATOM 1350 O GLU A 88 -0.608 0.633 -11.238 1.00 0.14 O ATOM 1351 CB GLU A 88 0.735 -1.654 -9.396 1.00 0.21 C ATOM 1352 CG GLU A 88 1.176 -1.902 -10.841 1.00 0.58 C ATOM 1353 CD GLU A 88 2.448 -2.748 -10.840 1.00 1.13 C ATOM 1354 OE1 GLU A 88 2.432 -3.801 -10.223 1.00 1.87 O ATOM 1355 OE2 GLU A 88 3.419 -2.326 -11.445 1.00 1.93 O ATOM 0 H GLU A 88 -1.858 -1.278 -11.042 1.00 0.11 H new ATOM 0 HA GLU A 88 -0.913 -0.720 -8.355 1.00 0.13 H new ATOM 0 HB2 GLU A 88 1.505 -1.097 -8.862 1.00 0.21 H new ATOM 0 HB3 GLU A 88 0.611 -2.604 -8.876 1.00 0.21 H new ATOM 0 HG2 GLU A 88 0.386 -2.412 -11.392 1.00 0.58 H new ATOM 0 HG3 GLU A 88 1.356 -0.953 -11.347 1.00 0.58 H new ATOM 1362 N PHE A 89 0.168 1.440 -9.347 1.00 0.10 N ATOM 1363 CA PHE A 89 0.466 2.757 -9.999 1.00 0.09 C ATOM 1364 C PHE A 89 1.418 3.574 -9.118 1.00 0.10 C ATOM 1365 O PHE A 89 1.599 3.282 -7.955 1.00 0.10 O ATOM 1366 CB PHE A 89 -0.820 3.548 -10.275 1.00 0.11 C ATOM 1367 CG PHE A 89 -1.466 4.050 -9.002 1.00 0.10 C ATOM 1368 CD1 PHE A 89 -1.027 5.253 -8.442 1.00 0.11 C ATOM 1369 CD2 PHE A 89 -2.522 3.348 -8.408 1.00 0.12 C ATOM 1370 CE1 PHE A 89 -1.643 5.760 -7.290 1.00 0.13 C ATOM 1371 CE2 PHE A 89 -3.134 3.848 -7.249 1.00 0.13 C ATOM 1372 CZ PHE A 89 -2.696 5.060 -6.692 1.00 0.14 C ATOM 0 H PHE A 89 0.404 1.376 -8.357 1.00 0.10 H new ATOM 0 HA PHE A 89 0.946 2.561 -10.958 1.00 0.09 H new ATOM 0 HB2 PHE A 89 -0.592 4.394 -10.923 1.00 0.11 H new ATOM 0 HB3 PHE A 89 -1.525 2.915 -10.813 1.00 0.11 H new ATOM 0 HD1 PHE A 89 -0.211 5.793 -8.898 1.00 0.11 H new ATOM 0 HD2 PHE A 89 -2.866 2.421 -8.843 1.00 0.12 H new ATOM 0 HE1 PHE A 89 -1.304 6.693 -6.863 1.00 0.13 H new ATOM 0 HE2 PHE A 89 -3.942 3.301 -6.785 1.00 0.13 H new ATOM 0 HZ PHE A 89 -3.171 5.451 -5.804 1.00 0.14 H new ATOM 1382 N SER A 90 2.043 4.590 -9.680 1.00 0.10 N ATOM 1383 CA SER A 90 3.006 5.435 -8.890 1.00 0.10 C ATOM 1384 C SER A 90 2.622 6.906 -8.994 1.00 0.09 C ATOM 1385 O SER A 90 1.904 7.316 -9.885 1.00 0.11 O ATOM 1386 CB SER A 90 4.435 5.264 -9.423 1.00 0.11 C ATOM 1387 OG SER A 90 4.487 5.658 -10.785 1.00 0.12 O ATOM 0 H SER A 90 1.927 4.870 -10.654 1.00 0.10 H new ATOM 0 HA SER A 90 2.963 5.112 -7.850 1.00 0.10 H new ATOM 0 HB2 SER A 90 5.128 5.865 -8.834 1.00 0.11 H new ATOM 0 HB3 SER A 90 4.749 4.225 -9.323 1.00 0.11 H new ATOM 0 HG SER A 90 5.401 5.549 -11.122 1.00 0.12 H new ATOM 1393 N GLY A 91 3.105 7.700 -8.078 1.00 0.09 N ATOM 1394 CA GLY A 91 2.791 9.159 -8.082 1.00 0.09 C ATOM 1395 C GLY A 91 2.012 9.497 -6.815 1.00 0.10 C ATOM 1396 O GLY A 91 1.194 8.728 -6.355 1.00 0.12 O ATOM 0 H GLY A 91 3.712 7.396 -7.317 1.00 0.09 H new ATOM 0 HA2 GLY A 91 3.710 9.743 -8.127 1.00 0.09 H new ATOM 0 HA3 GLY A 91 2.206 9.417 -8.965 1.00 0.09 H new ATOM 1400 N ALA A 92 2.275 10.630 -6.235 1.00 0.11 N ATOM 1401 CA ALA A 92 1.569 11.010 -4.980 1.00 0.14 C ATOM 1402 C ALA A 92 0.146 11.519 -5.266 1.00 0.13 C ATOM 1403 O ALA A 92 -0.148 12.680 -5.053 1.00 0.17 O ATOM 1404 CB ALA A 92 2.360 12.126 -4.302 1.00 0.18 C ATOM 0 H ALA A 92 2.951 11.314 -6.576 1.00 0.11 H new ATOM 0 HA ALA A 92 1.496 10.129 -4.342 1.00 0.14 H new ATOM 0 HB1 ALA A 92 1.858 12.419 -3.380 1.00 0.18 H new ATOM 0 HB2 ALA A 92 3.365 11.772 -4.072 1.00 0.18 H new ATOM 0 HB3 ALA A 92 2.422 12.985 -4.970 1.00 0.18 H new ATOM 1410 N ASN A 93 -0.747 10.658 -5.706 1.00 0.12 N ATOM 1411 CA ASN A 93 -2.166 11.085 -5.958 1.00 0.14 C ATOM 1412 C ASN A 93 -3.079 10.290 -5.025 1.00 0.13 C ATOM 1413 O ASN A 93 -3.392 9.143 -5.271 1.00 0.14 O ATOM 1414 CB ASN A 93 -2.566 10.794 -7.404 1.00 0.16 C ATOM 1415 CG ASN A 93 -3.944 11.397 -7.663 1.00 0.20 C ATOM 1416 OD1 ASN A 93 -4.948 10.873 -7.232 1.00 0.88 O ATOM 1417 ND2 ASN A 93 -4.032 12.497 -8.343 1.00 0.75 N ATOM 0 H ASN A 93 -0.554 9.676 -5.902 1.00 0.12 H new ATOM 0 HA ASN A 93 -2.257 12.156 -5.777 1.00 0.14 H new ATOM 0 HB2 ASN A 93 -1.833 11.218 -8.091 1.00 0.16 H new ATOM 0 HB3 ASN A 93 -2.585 9.719 -7.581 1.00 0.16 H new ATOM 0 HD21 ASN A 93 -4.945 12.919 -8.514 1.00 0.75 H new ATOM 0 HD22 ASN A 93 -3.189 12.940 -8.707 1.00 0.75 H new ATOM 1424 N LYS A 94 -3.499 10.886 -3.949 1.00 0.14 N ATOM 1425 CA LYS A 94 -4.377 10.170 -2.986 1.00 0.15 C ATOM 1426 C LYS A 94 -5.770 9.914 -3.574 1.00 0.15 C ATOM 1427 O LYS A 94 -6.401 8.922 -3.276 1.00 0.15 O ATOM 1428 CB LYS A 94 -4.512 11.043 -1.737 1.00 0.18 C ATOM 1429 CG LYS A 94 -4.915 12.497 -2.122 1.00 0.18 C ATOM 1430 CD LYS A 94 -3.719 13.471 -2.033 1.00 0.24 C ATOM 1431 CE LYS A 94 -4.245 14.915 -2.015 1.00 0.59 C ATOM 1432 NZ LYS A 94 -3.183 15.850 -2.488 1.00 1.06 N ATOM 0 H LYS A 94 -3.270 11.846 -3.692 1.00 0.14 H new ATOM 0 HA LYS A 94 -3.933 9.202 -2.751 1.00 0.15 H new ATOM 0 HB2 LYS A 94 -5.261 10.618 -1.069 1.00 0.18 H new ATOM 0 HB3 LYS A 94 -3.568 11.054 -1.192 1.00 0.18 H new ATOM 0 HG2 LYS A 94 -5.315 12.506 -3.136 1.00 0.18 H new ATOM 0 HG3 LYS A 94 -5.712 12.840 -1.462 1.00 0.18 H new ATOM 0 HD2 LYS A 94 -3.138 13.271 -1.133 1.00 0.24 H new ATOM 0 HD3 LYS A 94 -3.051 13.325 -2.882 1.00 0.24 H new ATOM 0 HE2 LYS A 94 -5.125 14.998 -2.653 1.00 0.59 H new ATOM 0 HE3 LYS A 94 -4.556 15.185 -1.006 1.00 0.59 H new ATOM 0 HZ1 LYS A 94 -3.546 16.824 -2.473 1.00 1.06 H new ATOM 0 HZ2 LYS A 94 -2.355 15.780 -1.863 1.00 1.06 H new ATOM 0 HZ3 LYS A 94 -2.906 15.599 -3.459 1.00 1.06 H new ATOM 1446 N GLU A 95 -6.266 10.793 -4.394 1.00 0.15 N ATOM 1447 CA GLU A 95 -7.622 10.584 -4.969 1.00 0.15 C ATOM 1448 C GLU A 95 -7.620 9.358 -5.888 1.00 0.15 C ATOM 1449 O GLU A 95 -8.625 8.703 -6.069 1.00 0.16 O ATOM 1450 CB GLU A 95 -8.050 11.818 -5.769 1.00 0.17 C ATOM 1451 CG GLU A 95 -8.097 13.049 -4.859 1.00 0.19 C ATOM 1452 CD GLU A 95 -9.202 12.866 -3.816 1.00 0.86 C ATOM 1453 OE1 GLU A 95 -10.203 12.251 -4.146 1.00 1.55 O ATOM 1454 OE2 GLU A 95 -9.029 13.344 -2.708 1.00 1.61 O ATOM 0 H GLU A 95 -5.793 11.646 -4.691 1.00 0.15 H new ATOM 0 HA GLU A 95 -8.325 10.422 -4.152 1.00 0.15 H new ATOM 0 HB2 GLU A 95 -7.352 11.989 -6.588 1.00 0.17 H new ATOM 0 HB3 GLU A 95 -9.030 11.649 -6.215 1.00 0.17 H new ATOM 0 HG2 GLU A 95 -7.135 13.188 -4.366 1.00 0.19 H new ATOM 0 HG3 GLU A 95 -8.284 13.945 -5.450 1.00 0.19 H new ATOM 1461 N LYS A 96 -6.502 9.065 -6.487 1.00 0.14 N ATOM 1462 CA LYS A 96 -6.413 7.903 -7.414 1.00 0.15 C ATOM 1463 C LYS A 96 -6.738 6.641 -6.637 1.00 0.14 C ATOM 1464 O LYS A 96 -7.325 5.710 -7.148 1.00 0.15 O ATOM 1465 CB LYS A 96 -4.982 7.833 -7.939 1.00 0.16 C ATOM 1466 CG LYS A 96 -4.867 6.871 -9.128 1.00 0.21 C ATOM 1467 CD LYS A 96 -3.583 7.202 -9.903 1.00 0.25 C ATOM 1468 CE LYS A 96 -3.475 6.306 -11.131 1.00 0.82 C ATOM 1469 NZ LYS A 96 -4.513 6.721 -12.110 1.00 1.45 N ATOM 0 H LYS A 96 -5.634 9.588 -6.373 1.00 0.14 H new ATOM 0 HA LYS A 96 -7.111 8.005 -8.245 1.00 0.15 H new ATOM 0 HB2 LYS A 96 -4.655 8.828 -8.241 1.00 0.16 H new ATOM 0 HB3 LYS A 96 -4.316 7.507 -7.140 1.00 0.16 H new ATOM 0 HG2 LYS A 96 -4.843 5.839 -8.779 1.00 0.21 H new ATOM 0 HG3 LYS A 96 -5.737 6.967 -9.778 1.00 0.21 H new ATOM 0 HD2 LYS A 96 -3.590 8.249 -10.205 1.00 0.25 H new ATOM 0 HD3 LYS A 96 -2.713 7.061 -9.261 1.00 0.25 H new ATOM 0 HE2 LYS A 96 -2.482 6.388 -11.574 1.00 0.82 H new ATOM 0 HE3 LYS A 96 -3.614 5.262 -10.851 1.00 0.82 H new ATOM 0 HZ1 LYS A 96 -4.264 6.362 -13.054 1.00 1.45 H new ATOM 0 HZ2 LYS A 96 -5.435 6.333 -11.824 1.00 1.45 H new ATOM 0 HZ3 LYS A 96 -4.568 7.759 -12.138 1.00 1.45 H new ATOM 1483 N LEU A 97 -6.357 6.611 -5.394 1.00 0.13 N ATOM 1484 CA LEU A 97 -6.639 5.418 -4.562 1.00 0.13 C ATOM 1485 C LEU A 97 -8.146 5.204 -4.496 1.00 0.14 C ATOM 1486 O LEU A 97 -8.634 4.095 -4.527 1.00 0.15 O ATOM 1487 CB LEU A 97 -6.140 5.663 -3.136 1.00 0.13 C ATOM 1488 CG LEU A 97 -4.624 5.504 -3.052 1.00 0.14 C ATOM 1489 CD1 LEU A 97 -4.177 5.963 -1.659 1.00 0.19 C ATOM 1490 CD2 LEU A 97 -4.222 4.029 -3.281 1.00 0.19 C ATOM 0 H LEU A 97 -5.861 7.365 -4.919 1.00 0.13 H new ATOM 0 HA LEU A 97 -6.142 4.551 -4.997 1.00 0.13 H new ATOM 0 HB2 LEU A 97 -6.422 6.666 -2.815 1.00 0.13 H new ATOM 0 HB3 LEU A 97 -6.621 4.963 -2.453 1.00 0.13 H new ATOM 0 HG LEU A 97 -4.142 6.106 -3.823 1.00 0.14 H new ATOM 0 HD11 LEU A 97 -3.095 5.860 -1.572 1.00 0.19 H new ATOM 0 HD12 LEU A 97 -4.455 7.007 -1.513 1.00 0.19 H new ATOM 0 HD13 LEU A 97 -4.663 5.349 -0.900 1.00 0.19 H new ATOM 0 HD21 LEU A 97 -3.138 3.933 -3.218 1.00 0.19 H new ATOM 0 HD22 LEU A 97 -4.687 3.403 -2.519 1.00 0.19 H new ATOM 0 HD23 LEU A 97 -4.558 3.709 -4.268 1.00 0.19 H new ATOM 1502 N GLU A 98 -8.878 6.273 -4.377 1.00 0.14 N ATOM 1503 CA GLU A 98 -10.363 6.152 -4.256 1.00 0.15 C ATOM 1504 C GLU A 98 -10.961 5.513 -5.511 1.00 0.16 C ATOM 1505 O GLU A 98 -11.859 4.699 -5.431 1.00 0.18 O ATOM 1506 CB GLU A 98 -10.980 7.545 -4.047 1.00 0.18 C ATOM 1507 CG GLU A 98 -12.490 7.408 -3.814 1.00 0.21 C ATOM 1508 CD GLU A 98 -13.129 8.794 -3.707 1.00 1.28 C ATOM 1509 OE1 GLU A 98 -12.401 9.770 -3.762 1.00 2.00 O ATOM 1510 OE2 GLU A 98 -14.339 8.851 -3.570 1.00 2.10 O ATOM 0 H GLU A 98 -8.517 7.227 -4.358 1.00 0.14 H new ATOM 0 HA GLU A 98 -10.588 5.516 -3.400 1.00 0.15 H new ATOM 0 HB2 GLU A 98 -10.513 8.037 -3.194 1.00 0.18 H new ATOM 0 HB3 GLU A 98 -10.791 8.172 -4.918 1.00 0.18 H new ATOM 0 HG2 GLU A 98 -12.944 6.851 -4.634 1.00 0.21 H new ATOM 0 HG3 GLU A 98 -12.676 6.841 -2.902 1.00 0.21 H new ATOM 1517 N ALA A 99 -10.497 5.894 -6.664 1.00 0.16 N ATOM 1518 CA ALA A 99 -11.067 5.328 -7.921 1.00 0.17 C ATOM 1519 C ALA A 99 -10.688 3.853 -8.094 1.00 0.16 C ATOM 1520 O ALA A 99 -11.504 3.036 -8.476 1.00 0.17 O ATOM 1521 CB ALA A 99 -10.552 6.133 -9.115 1.00 0.19 C ATOM 0 H ALA A 99 -9.747 6.573 -6.794 1.00 0.16 H new ATOM 0 HA ALA A 99 -12.154 5.392 -7.864 1.00 0.17 H new ATOM 0 HB1 ALA A 99 -10.966 5.723 -10.036 1.00 0.19 H new ATOM 0 HB2 ALA A 99 -10.858 7.174 -9.011 1.00 0.19 H new ATOM 0 HB3 ALA A 99 -9.464 6.077 -9.150 1.00 0.19 H new ATOM 1527 N THR A 100 -9.456 3.508 -7.845 1.00 0.16 N ATOM 1528 CA THR A 100 -9.033 2.089 -8.026 1.00 0.16 C ATOM 1529 C THR A 100 -9.767 1.193 -7.019 1.00 0.15 C ATOM 1530 O THR A 100 -10.196 0.105 -7.348 1.00 0.15 O ATOM 1531 CB THR A 100 -7.517 1.978 -7.829 1.00 0.17 C ATOM 1532 OG1 THR A 100 -6.867 2.947 -8.639 1.00 0.19 O ATOM 1533 CG2 THR A 100 -7.047 0.584 -8.248 1.00 0.20 C ATOM 0 H THR A 100 -8.725 4.143 -7.525 1.00 0.16 H new ATOM 0 HA THR A 100 -9.286 1.761 -9.034 1.00 0.16 H new ATOM 0 HB THR A 100 -7.275 2.147 -6.780 1.00 0.17 H new ATOM 0 HG1 THR A 100 -6.888 3.817 -8.188 1.00 0.19 H new ATOM 0 HG21 THR A 100 -5.969 0.506 -8.108 1.00 0.20 H new ATOM 0 HG22 THR A 100 -7.548 -0.168 -7.638 1.00 0.20 H new ATOM 0 HG23 THR A 100 -7.289 0.419 -9.298 1.00 0.20 H new ATOM 1541 N ILE A 101 -9.933 1.642 -5.802 1.00 0.14 N ATOM 1542 CA ILE A 101 -10.658 0.810 -4.791 1.00 0.13 C ATOM 1543 C ILE A 101 -12.084 0.589 -5.296 1.00 0.14 C ATOM 1544 O ILE A 101 -12.581 -0.516 -5.339 1.00 0.14 O ATOM 1545 CB ILE A 101 -10.698 1.571 -3.459 1.00 0.14 C ATOM 1546 CG1 ILE A 101 -9.285 1.633 -2.850 1.00 0.14 C ATOM 1547 CG2 ILE A 101 -11.641 0.855 -2.484 1.00 0.15 C ATOM 1548 CD1 ILE A 101 -9.216 2.748 -1.797 1.00 0.16 C ATOM 0 H ILE A 101 -9.600 2.545 -5.464 1.00 0.14 H new ATOM 0 HA ILE A 101 -10.157 -0.147 -4.646 1.00 0.13 H new ATOM 0 HB ILE A 101 -11.059 2.584 -3.638 1.00 0.14 H new ATOM 0 HG12 ILE A 101 -9.034 0.675 -2.394 1.00 0.14 H new ATOM 0 HG13 ILE A 101 -8.550 1.816 -3.634 1.00 0.14 H new ATOM 0 HG21 ILE A 101 -11.668 1.397 -1.539 1.00 0.15 H new ATOM 0 HG22 ILE A 101 -12.644 0.818 -2.909 1.00 0.15 H new ATOM 0 HG23 ILE A 101 -11.283 -0.160 -2.310 1.00 0.15 H new ATOM 0 HD11 ILE A 101 -8.213 2.785 -1.371 1.00 0.16 H new ATOM 0 HD12 ILE A 101 -9.447 3.705 -2.265 1.00 0.16 H new ATOM 0 HD13 ILE A 101 -9.939 2.547 -1.006 1.00 0.16 H new ATOM 1560 N ASN A 102 -12.726 1.644 -5.707 1.00 0.17 N ATOM 1561 CA ASN A 102 -14.104 1.520 -6.240 1.00 0.20 C ATOM 1562 C ASN A 102 -14.069 0.601 -7.456 1.00 0.19 C ATOM 1563 O ASN A 102 -14.980 -0.160 -7.709 1.00 0.20 O ATOM 1564 CB ASN A 102 -14.601 2.898 -6.669 1.00 0.25 C ATOM 1565 CG ASN A 102 -16.029 2.772 -7.192 1.00 0.31 C ATOM 1566 OD1 ASN A 102 -16.267 2.141 -8.202 1.00 0.95 O ATOM 1567 ND2 ASN A 102 -16.994 3.355 -6.543 1.00 0.55 N ATOM 0 H ASN A 102 -12.351 2.592 -5.696 1.00 0.17 H new ATOM 0 HA ASN A 102 -14.768 1.113 -5.478 1.00 0.20 H new ATOM 0 HB2 ASN A 102 -14.569 3.589 -5.826 1.00 0.25 H new ATOM 0 HB3 ASN A 102 -13.952 3.308 -7.443 1.00 0.25 H new ATOM 0 HD21 ASN A 102 -17.953 3.283 -6.882 1.00 0.55 H new ATOM 0 HD22 ASN A 102 -16.791 3.884 -5.695 1.00 0.55 H new ATOM 1574 N GLU A 103 -13.019 0.695 -8.218 1.00 0.18 N ATOM 1575 CA GLU A 103 -12.890 -0.136 -9.441 1.00 0.18 C ATOM 1576 C GLU A 103 -12.742 -1.617 -9.047 1.00 0.16 C ATOM 1577 O GLU A 103 -13.265 -2.495 -9.707 1.00 0.18 O ATOM 1578 CB GLU A 103 -11.633 0.323 -10.191 1.00 0.19 C ATOM 1579 CG GLU A 103 -11.606 -0.276 -11.605 1.00 0.21 C ATOM 1580 CD GLU A 103 -11.335 -1.775 -11.525 1.00 1.34 C ATOM 1581 OE1 GLU A 103 -10.347 -2.141 -10.920 1.00 2.21 O ATOM 1582 OE2 GLU A 103 -12.120 -2.532 -12.070 1.00 2.04 O ATOM 0 H GLU A 103 -12.234 1.322 -8.042 1.00 0.18 H new ATOM 0 HA GLU A 103 -13.773 -0.026 -10.071 1.00 0.18 H new ATOM 0 HB2 GLU A 103 -11.614 1.411 -10.250 1.00 0.19 H new ATOM 0 HB3 GLU A 103 -10.742 0.017 -9.642 1.00 0.19 H new ATOM 0 HG2 GLU A 103 -12.558 -0.095 -12.105 1.00 0.21 H new ATOM 0 HG3 GLU A 103 -10.835 0.211 -12.202 1.00 0.21 H new ATOM 1589 N LEU A 104 -12.016 -1.903 -7.990 1.00 0.14 N ATOM 1590 CA LEU A 104 -11.811 -3.330 -7.560 1.00 0.14 C ATOM 1591 C LEU A 104 -12.745 -3.712 -6.400 1.00 0.13 C ATOM 1592 O LEU A 104 -12.747 -4.844 -5.957 1.00 0.15 O ATOM 1593 CB LEU A 104 -10.363 -3.514 -7.097 1.00 0.14 C ATOM 1594 CG LEU A 104 -9.386 -3.308 -8.259 1.00 0.16 C ATOM 1595 CD1 LEU A 104 -7.960 -3.288 -7.703 1.00 0.17 C ATOM 1596 CD2 LEU A 104 -9.517 -4.450 -9.284 1.00 0.25 C ATOM 0 H LEU A 104 -11.554 -1.208 -7.403 1.00 0.14 H new ATOM 0 HA LEU A 104 -12.034 -3.971 -8.413 1.00 0.14 H new ATOM 0 HB2 LEU A 104 -10.140 -2.806 -6.299 1.00 0.14 H new ATOM 0 HB3 LEU A 104 -10.234 -4.513 -6.681 1.00 0.14 H new ATOM 0 HG LEU A 104 -9.614 -2.366 -8.757 1.00 0.16 H new ATOM 0 HD11 LEU A 104 -7.253 -3.142 -8.520 1.00 0.17 H new ATOM 0 HD12 LEU A 104 -7.860 -2.473 -6.987 1.00 0.17 H new ATOM 0 HD13 LEU A 104 -7.750 -4.235 -7.206 1.00 0.17 H new ATOM 0 HD21 LEU A 104 -8.816 -4.287 -10.102 1.00 0.25 H new ATOM 0 HD22 LEU A 104 -9.295 -5.401 -8.800 1.00 0.25 H new ATOM 0 HD23 LEU A 104 -10.534 -4.472 -9.677 1.00 0.25 H new ATOM 1608 N VAL A 105 -13.529 -2.801 -5.889 1.00 0.14 N ATOM 1609 CA VAL A 105 -14.432 -3.167 -4.752 1.00 0.15 C ATOM 1610 C VAL A 105 -15.462 -4.195 -5.239 1.00 0.16 C ATOM 1611 O VAL A 105 -15.874 -4.095 -6.384 1.00 1.08 O ATOM 1612 CB VAL A 105 -15.163 -1.917 -4.223 1.00 0.17 C ATOM 1613 CG1 VAL A 105 -16.289 -1.502 -5.188 1.00 0.21 C ATOM 1614 CG2 VAL A 105 -15.758 -2.232 -2.845 1.00 0.19 C ATOM 1615 OXT VAL A 105 -15.824 -5.061 -4.456 1.00 1.08 O ATOM 0 H VAL A 105 -13.586 -1.832 -6.202 1.00 0.14 H new ATOM 0 HA VAL A 105 -13.835 -3.591 -3.945 1.00 0.15 H new ATOM 0 HB VAL A 105 -14.452 -1.094 -4.144 1.00 0.17 H new ATOM 0 HG11 VAL A 105 -16.794 -0.618 -4.799 1.00 0.21 H new ATOM 0 HG12 VAL A 105 -15.865 -1.276 -6.166 1.00 0.21 H new ATOM 0 HG13 VAL A 105 -17.006 -2.318 -5.283 1.00 0.21 H new ATOM 0 HG21 VAL A 105 -16.277 -1.353 -2.463 1.00 0.19 H new ATOM 0 HG22 VAL A 105 -16.462 -3.059 -2.933 1.00 0.19 H new ATOM 0 HG23 VAL A 105 -14.958 -2.508 -2.158 1.00 0.19 H new ATOM 1683 N LYS B 63 6.778 14.893 -5.594 1.00 0.19 N ATOM 1684 CA LYS B 63 5.676 13.899 -5.696 1.00 0.14 C ATOM 1685 C LYS B 63 6.241 12.474 -5.647 1.00 0.12 C ATOM 1686 O LYS B 63 5.548 11.544 -5.283 1.00 0.12 O ATOM 1687 CB LYS B 63 4.945 14.106 -7.019 1.00 0.17 C ATOM 1688 CG LYS B 63 4.274 15.487 -7.046 1.00 0.20 C ATOM 1689 CD LYS B 63 2.959 15.469 -6.249 1.00 0.40 C ATOM 1690 CE LYS B 63 2.227 16.797 -6.464 1.00 0.35 C ATOM 1691 NZ LYS B 63 3.010 17.898 -5.833 1.00 1.31 N ATOM 0 HA LYS B 63 4.989 14.035 -4.861 1.00 0.14 H new ATOM 0 HB2 LYS B 63 5.647 14.019 -7.848 1.00 0.17 H new ATOM 0 HB3 LYS B 63 4.195 13.327 -7.154 1.00 0.17 H new ATOM 0 HG2 LYS B 63 4.949 16.233 -6.626 1.00 0.20 H new ATOM 0 HG3 LYS B 63 4.076 15.780 -8.077 1.00 0.20 H new ATOM 0 HD2 LYS B 63 2.333 14.638 -6.574 1.00 0.40 H new ATOM 0 HD3 LYS B 63 3.163 15.319 -5.189 1.00 0.40 H new ATOM 0 HE2 LYS B 63 2.102 16.988 -7.530 1.00 0.35 H new ATOM 0 HE3 LYS B 63 1.228 16.750 -6.029 1.00 0.35 H new ATOM 0 HZ1 LYS B 63 2.423 18.755 -5.780 1.00 1.31 H new ATOM 0 HZ2 LYS B 63 3.296 17.615 -4.874 1.00 1.31 H new ATOM 0 HZ3 LYS B 63 3.857 18.093 -6.404 1.00 1.31 H new ATOM 1705 N ILE B 64 7.487 12.303 -6.029 1.00 0.11 N ATOM 1706 CA ILE B 64 8.132 10.938 -6.017 1.00 0.11 C ATOM 1707 C ILE B 64 9.487 11.015 -5.290 1.00 0.10 C ATOM 1708 O ILE B 64 10.182 12.007 -5.374 1.00 0.11 O ATOM 1709 CB ILE B 64 8.383 10.471 -7.464 1.00 0.12 C ATOM 1710 CG1 ILE B 64 7.055 10.180 -8.186 1.00 0.15 C ATOM 1711 CG2 ILE B 64 9.254 9.206 -7.464 1.00 0.13 C ATOM 1712 CD1 ILE B 64 6.233 9.121 -7.423 1.00 0.15 C ATOM 0 H ILE B 64 8.094 13.056 -6.353 1.00 0.11 H new ATOM 0 HA ILE B 64 7.470 10.238 -5.507 1.00 0.11 H new ATOM 0 HB ILE B 64 8.900 11.271 -7.994 1.00 0.12 H new ATOM 0 HG12 ILE B 64 6.477 11.099 -8.276 1.00 0.15 H new ATOM 0 HG13 ILE B 64 7.256 9.830 -9.198 1.00 0.15 H new ATOM 0 HG21 ILE B 64 9.426 8.883 -8.491 1.00 0.13 H new ATOM 0 HG22 ILE B 64 10.210 9.422 -6.986 1.00 0.13 H new ATOM 0 HG23 ILE B 64 8.745 8.414 -6.915 1.00 0.13 H new ATOM 0 HD11 ILE B 64 5.300 8.933 -7.954 1.00 0.15 H new ATOM 0 HD12 ILE B 64 6.805 8.195 -7.356 1.00 0.15 H new ATOM 0 HD13 ILE B 64 6.013 9.485 -6.419 1.00 0.15 H new ATOM 1724 N CYS B 65 9.882 9.961 -4.603 1.00 0.09 N ATOM 1725 CA CYS B 65 11.215 9.952 -3.910 1.00 0.10 C ATOM 1726 C CYS B 65 12.159 9.068 -4.750 1.00 0.10 C ATOM 1727 O CYS B 65 11.837 7.940 -5.070 1.00 0.11 O ATOM 1728 CB CYS B 65 11.100 9.361 -2.484 1.00 0.10 C ATOM 1729 SG CYS B 65 9.867 10.256 -1.494 1.00 0.19 S ATOM 0 H CYS B 65 9.336 9.106 -4.494 1.00 0.09 H new ATOM 0 HA CYS B 65 11.590 10.971 -3.819 1.00 0.10 H new ATOM 0 HB2 CYS B 65 10.825 8.308 -2.546 1.00 0.10 H new ATOM 0 HB3 CYS B 65 12.070 9.408 -1.989 1.00 0.10 H new ATOM 1734 N SER B 66 13.305 9.571 -5.137 1.00 0.12 N ATOM 1735 CA SER B 66 14.237 8.751 -5.984 1.00 0.14 C ATOM 1736 C SER B 66 14.987 7.712 -5.132 1.00 0.14 C ATOM 1737 O SER B 66 15.463 7.996 -4.049 1.00 0.15 O ATOM 1738 CB SER B 66 15.251 9.680 -6.643 1.00 0.18 C ATOM 1739 OG SER B 66 14.570 10.560 -7.526 1.00 0.20 O ATOM 0 H SER B 66 13.637 10.507 -4.907 1.00 0.12 H new ATOM 0 HA SER B 66 13.652 8.224 -6.737 1.00 0.14 H new ATOM 0 HB2 SER B 66 15.788 10.250 -5.884 1.00 0.18 H new ATOM 0 HB3 SER B 66 15.994 9.099 -7.190 1.00 0.18 H new ATOM 0 HG SER B 66 15.216 11.161 -7.952 1.00 0.20 H new ATOM 1745 N TRP B 67 15.125 6.513 -5.635 1.00 0.15 N ATOM 1746 CA TRP B 67 15.859 5.454 -4.879 1.00 0.16 C ATOM 1747 C TRP B 67 17.356 5.722 -4.950 1.00 0.19 C ATOM 1748 O TRP B 67 18.145 5.099 -4.269 1.00 0.21 O ATOM 1749 CB TRP B 67 15.554 4.070 -5.460 1.00 0.16 C ATOM 1750 CG TRP B 67 14.136 3.712 -5.146 1.00 0.14 C ATOM 1751 CD1 TRP B 67 13.065 4.450 -5.489 1.00 0.13 C ATOM 1752 CD2 TRP B 67 13.618 2.553 -4.422 1.00 0.14 C ATOM 1753 NE1 TRP B 67 11.926 3.822 -5.037 1.00 0.13 N ATOM 1754 CE2 TRP B 67 12.216 2.652 -4.368 1.00 0.13 C ATOM 1755 CE3 TRP B 67 14.218 1.437 -3.817 1.00 0.16 C ATOM 1756 CZ2 TRP B 67 11.440 1.687 -3.737 1.00 0.14 C ATOM 1757 CZ3 TRP B 67 13.439 0.461 -3.184 1.00 0.17 C ATOM 1758 CH2 TRP B 67 12.050 0.589 -3.142 1.00 0.16 C ATOM 0 H TRP B 67 14.759 6.220 -6.541 1.00 0.15 H new ATOM 0 HA TRP B 67 15.532 5.475 -3.839 1.00 0.16 H new ATOM 0 HB2 TRP B 67 15.712 4.071 -6.538 1.00 0.16 H new ATOM 0 HB3 TRP B 67 16.232 3.327 -5.039 1.00 0.16 H new ATOM 0 HD1 TRP B 67 13.094 5.384 -6.031 1.00 0.13 H new ATOM 0 HE1 TRP B 67 10.981 4.179 -5.180 1.00 0.13 H new ATOM 0 HE3 TRP B 67 15.292 1.330 -3.840 1.00 0.16 H new ATOM 0 HZ2 TRP B 67 10.365 1.790 -3.709 1.00 0.14 H new ATOM 0 HZ3 TRP B 67 13.915 -0.394 -2.727 1.00 0.17 H new ATOM 0 HH2 TRP B 67 11.451 -0.162 -2.649 1.00 0.16 H new ATOM 1769 N ASN B 68 17.755 6.649 -5.770 1.00 0.23 N ATOM 1770 CA ASN B 68 19.201 6.956 -5.887 1.00 0.27 C ATOM 1771 C ASN B 68 19.771 7.225 -4.492 1.00 0.26 C ATOM 1772 O ASN B 68 20.970 7.278 -4.303 1.00 0.30 O ATOM 1773 CB ASN B 68 19.381 8.198 -6.757 1.00 0.34 C ATOM 1774 CG ASN B 68 19.027 7.870 -8.213 1.00 0.40 C ATOM 1775 OD1 ASN B 68 19.223 8.689 -9.091 1.00 0.49 O ATOM 1776 ND2 ASN B 68 18.512 6.706 -8.514 1.00 0.40 N ATOM 0 H ASN B 68 17.141 7.207 -6.364 1.00 0.23 H new ATOM 0 HA ASN B 68 19.723 6.113 -6.340 1.00 0.27 H new ATOM 0 HB2 ASN B 68 18.745 9.004 -6.392 1.00 0.34 H new ATOM 0 HB3 ASN B 68 20.410 8.551 -6.694 1.00 0.34 H new ATOM 0 HD21 ASN B 68 18.276 6.488 -9.482 1.00 0.40 H new ATOM 0 HD22 ASN B 68 18.346 6.017 -7.781 1.00 0.40 H new