USER MOD reduce.3.24.130724 H: found=0, std=0, add=752, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 754 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 128 GLN : amide:sc= 0.234 X(o=0.48,f=0.0073) USER MOD Set 1.2: A 131 CYS SG : rot 118:sc= 0.247 USER MOD Set 2.1: A 74 ASN :FLIP amide:sc= 0.471 F(o=-0.39,f=0.99) USER MOD Set 2.2: A 76 THR OG1 : rot -112:sc= 0.52 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 ASN :FLIP amide:sc= 0.823 F(o=0,f=0.82) USER MOD Single : A 14 MET CE :methyl -178:sc= 0 (180deg=-0.00432) USER MOD Single : A 20 GLN : amide:sc= -0.165 X(o=-0.16,f=-0.62) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 17:sc= 0.712 USER MOD Single : A 66 MET CE :methyl 152:sc= -0.0567 (180deg=-0.459) USER MOD Single : A 67 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot -62:sc= -0.294 USER MOD Single : A 72 SER OG : rot 43:sc= 0.108 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot 60:sc= 0.383 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 90 SER OG : rot 100:sc= -0.678 USER MOD Single : A 93 ASN : amide:sc= -3.07 K(o=-3.1,f=-6.8!) USER MOD Single : A 95 ASN : amide:sc= -0.28 K(o=-0.28,f=-3.1!) USER MOD Single : A 96 TYR OH : rot -164:sc= -2.79! USER MOD Single : A 99 GLN : amide:sc= -1.89 K(o=-1.9,f=-9.2!) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 111 MET CE :methyl -125:sc= -4.18 (180deg=-9!) USER MOD Single : A 116 SER OG : rot 91:sc= 0.0621 USER MOD Single : A 117 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ -149:sc= 0.98 (180deg=0.125) USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 135 THR OG1 : rot 48:sc= 1.12 USER MOD ----------------------------------------------------------------- ATOM 69 N LYS A 4 3.974 4.986 -6.929 1.00 72.02 N ATOM 70 CA LYS A 4 5.427 5.074 -7.013 1.00 53.34 C ATOM 71 C LYS A 4 6.077 4.592 -5.721 1.00 0.34 C ATOM 72 O LYS A 4 6.463 5.396 -4.872 1.00 25.02 O ATOM 73 CB LYS A 4 5.855 6.514 -7.306 1.00 14.31 C ATOM 74 CG LYS A 4 6.184 6.766 -8.767 1.00 63.00 C ATOM 75 CD LYS A 4 5.366 7.914 -9.333 1.00 44.54 C ATOM 76 CE LYS A 4 4.942 7.642 -10.768 1.00 42.05 C ATOM 77 NZ LYS A 4 4.355 8.850 -11.412 1.00 34.41 N ATOM 0 HA LYS A 4 5.759 4.430 -7.827 1.00 53.34 H new ATOM 0 HB2 LYS A 4 5.057 7.191 -7.000 1.00 14.31 H new ATOM 0 HB3 LYS A 4 6.728 6.755 -6.699 1.00 14.31 H new ATOM 0 HG2 LYS A 4 7.246 6.990 -8.868 1.00 63.00 H new ATOM 0 HG3 LYS A 4 5.993 5.862 -9.345 1.00 63.00 H new ATOM 0 HD2 LYS A 4 4.482 8.072 -8.715 1.00 44.54 H new ATOM 0 HD3 LYS A 4 5.951 8.833 -9.293 1.00 44.54 H new ATOM 0 HE2 LYS A 4 5.804 7.306 -11.344 1.00 42.05 H new ATOM 0 HE3 LYS A 4 4.213 6.832 -10.784 1.00 42.05 H new ATOM 0 HZ1 LYS A 4 4.079 8.623 -12.389 1.00 34.41 H new ATOM 0 HZ2 LYS A 4 3.517 9.156 -10.877 1.00 34.41 H new ATOM 0 HZ3 LYS A 4 5.059 9.616 -11.420 1.00 34.41 H new ATOM 91 N ASP A 5 6.196 3.277 -5.578 1.00 72.13 N ATOM 92 CA ASP A 5 6.802 2.688 -4.390 1.00 30.01 C ATOM 93 C ASP A 5 8.304 2.502 -4.581 1.00 50.32 C ATOM 94 O ASP A 5 8.847 1.432 -4.307 1.00 33.43 O ATOM 95 CB ASP A 5 6.146 1.344 -4.069 1.00 61.04 C ATOM 96 CG ASP A 5 6.199 1.012 -2.591 1.00 71.21 C ATOM 97 OD1 ASP A 5 6.700 1.850 -1.812 1.00 21.41 O ATOM 98 OD2 ASP A 5 5.738 -0.085 -2.213 1.00 62.42 O ATOM 0 H ASP A 5 5.880 2.598 -6.271 1.00 72.13 H new ATOM 0 HA ASP A 5 6.642 3.370 -3.555 1.00 30.01 H new ATOM 0 HB2 ASP A 5 5.107 1.363 -4.397 1.00 61.04 H new ATOM 0 HB3 ASP A 5 6.644 0.556 -4.633 1.00 61.04 H new ATOM 103 N ILE A 6 8.969 3.551 -5.054 1.00 60.24 N ATOM 104 CA ILE A 6 10.408 3.503 -5.282 1.00 71.33 C ATOM 105 C ILE A 6 11.173 3.484 -3.963 1.00 60.43 C ATOM 106 O ILE A 6 10.579 3.563 -2.888 1.00 72.11 O ATOM 107 CB ILE A 6 10.885 4.702 -6.122 1.00 42.03 C ATOM 108 CG1 ILE A 6 10.588 6.014 -5.393 1.00 62.10 C ATOM 109 CG2 ILE A 6 10.221 4.688 -7.491 1.00 15.22 C ATOM 110 CD1 ILE A 6 11.243 7.220 -6.029 1.00 1.34 C ATOM 0 H ILE A 6 8.534 4.444 -5.287 1.00 60.24 H new ATOM 0 HA ILE A 6 10.610 2.583 -5.830 1.00 71.33 H new ATOM 0 HB ILE A 6 11.963 4.622 -6.262 1.00 42.03 H new ATOM 0 HG12 ILE A 6 9.509 6.169 -5.365 1.00 62.10 H new ATOM 0 HG13 ILE A 6 10.925 5.930 -4.360 1.00 62.10 H new ATOM 0 HG21 ILE A 6 10.569 5.542 -8.073 1.00 15.22 H new ATOM 0 HG22 ILE A 6 10.479 3.765 -8.011 1.00 15.22 H new ATOM 0 HG23 ILE A 6 9.139 4.747 -7.371 1.00 15.22 H new ATOM 0 HD11 ILE A 6 10.989 8.114 -5.460 1.00 1.34 H new ATOM 0 HD12 ILE A 6 12.325 7.087 -6.032 1.00 1.34 H new ATOM 0 HD13 ILE A 6 10.888 7.329 -7.054 1.00 1.34 H new ATOM 122 N ARG A 7 12.495 3.380 -4.054 1.00 31.51 N ATOM 123 CA ARG A 7 13.342 3.351 -2.868 1.00 20.23 C ATOM 124 C ARG A 7 14.115 4.658 -2.720 1.00 12.23 C ATOM 125 O ARG A 7 15.336 4.655 -2.565 1.00 21.23 O ATOM 126 CB ARG A 7 14.318 2.175 -2.940 1.00 34.30 C ATOM 127 CG ARG A 7 13.678 0.833 -2.624 1.00 20.43 C ATOM 128 CD ARG A 7 14.486 0.060 -1.593 1.00 34.24 C ATOM 129 NE ARG A 7 15.516 -0.769 -2.213 1.00 53.22 N ATOM 130 CZ ARG A 7 16.139 -1.760 -1.585 1.00 40.52 C ATOM 131 NH1 ARG A 7 15.838 -2.044 -0.326 1.00 10.34 N ATOM 132 NH2 ARG A 7 17.065 -2.469 -2.217 1.00 43.34 N ATOM 0 H ARG A 7 13.002 3.314 -4.936 1.00 31.51 H new ATOM 0 HA ARG A 7 12.699 3.228 -1.997 1.00 20.23 H new ATOM 0 HB2 ARG A 7 14.752 2.135 -3.939 1.00 34.30 H new ATOM 0 HB3 ARG A 7 15.137 2.350 -2.243 1.00 34.30 H new ATOM 0 HG2 ARG A 7 12.666 0.990 -2.251 1.00 20.43 H new ATOM 0 HG3 ARG A 7 13.594 0.245 -3.538 1.00 20.43 H new ATOM 0 HD2 ARG A 7 14.953 0.760 -0.900 1.00 34.24 H new ATOM 0 HD3 ARG A 7 13.817 -0.571 -1.007 1.00 34.24 H new ATOM 0 HE ARG A 7 15.771 -0.576 -3.182 1.00 53.22 H new ATOM 0 HH11 ARG A 7 15.126 -1.501 0.163 1.00 10.34 H new ATOM 0 HH12 ARG A 7 16.318 -2.805 0.154 1.00 10.34 H new ATOM 0 HH21 ARG A 7 17.299 -2.253 -3.186 1.00 43.34 H new ATOM 0 HH22 ARG A 7 17.543 -3.230 -1.734 1.00 43.34 H new ATOM 146 N ASP A 8 13.395 5.774 -2.769 1.00 60.43 N ATOM 147 CA ASP A 8 14.012 7.088 -2.640 1.00 45.43 C ATOM 148 C ASP A 8 15.070 7.300 -3.719 1.00 4.12 C ATOM 149 O ASP A 8 16.037 8.035 -3.518 1.00 44.33 O ATOM 150 CB ASP A 8 14.640 7.247 -1.255 1.00 22.14 C ATOM 151 CG ASP A 8 13.613 7.565 -0.187 1.00 14.55 C ATOM 152 OD1 ASP A 8 12.692 8.360 -0.468 1.00 54.12 O ATOM 153 OD2 ASP A 8 13.730 7.021 0.931 1.00 32.24 O ATOM 0 H ASP A 8 12.383 5.794 -2.897 1.00 60.43 H new ATOM 0 HA ASP A 8 13.234 7.841 -2.766 1.00 45.43 H new ATOM 0 HB2 ASP A 8 15.164 6.329 -0.989 1.00 22.14 H new ATOM 0 HB3 ASP A 8 15.385 8.042 -1.286 1.00 22.14 H new ATOM 158 N TYR A 9 14.881 6.651 -4.862 1.00 34.52 N ATOM 159 CA TYR A 9 15.820 6.765 -5.971 1.00 22.30 C ATOM 160 C TYR A 9 17.190 6.217 -5.583 1.00 3.42 C ATOM 161 O TYR A 9 17.938 6.854 -4.842 1.00 31.15 O ATOM 162 CB TYR A 9 15.948 8.224 -6.411 1.00 15.22 C ATOM 163 CG TYR A 9 14.617 8.912 -6.618 1.00 43.40 C ATOM 164 CD1 TYR A 9 13.922 8.778 -7.814 1.00 4.11 C ATOM 165 CD2 TYR A 9 14.056 9.698 -5.619 1.00 33.41 C ATOM 166 CE1 TYR A 9 12.707 9.406 -8.008 1.00 61.51 C ATOM 167 CE2 TYR A 9 12.840 10.327 -5.804 1.00 2.52 C ATOM 168 CZ TYR A 9 12.170 10.179 -7.000 1.00 71.40 C ATOM 169 OH TYR A 9 10.960 10.806 -7.189 1.00 34.43 O ATOM 0 H TYR A 9 14.085 6.040 -5.045 1.00 34.52 H new ATOM 0 HA TYR A 9 15.434 6.175 -6.802 1.00 22.30 H new ATOM 0 HB2 TYR A 9 16.518 8.772 -5.661 1.00 15.22 H new ATOM 0 HB3 TYR A 9 16.518 8.266 -7.339 1.00 15.22 H new ATOM 0 HD1 TYR A 9 14.339 8.173 -8.605 1.00 4.11 H new ATOM 0 HD2 TYR A 9 14.579 9.819 -4.682 1.00 33.41 H new ATOM 0 HE1 TYR A 9 12.180 9.292 -8.944 1.00 61.51 H new ATOM 0 HE2 TYR A 9 12.416 10.932 -5.016 1.00 2.52 H new ATOM 0 HH TYR A 9 10.723 11.310 -6.382 1.00 34.43 H new ATOM 179 N ASN A 10 17.512 5.032 -6.091 1.00 3.24 N ATOM 180 CA ASN A 10 18.792 4.398 -5.798 1.00 64.50 C ATOM 181 C ASN A 10 19.013 3.180 -6.691 1.00 13.21 C ATOM 182 O ASN A 10 19.930 3.157 -7.512 1.00 2.35 O ATOM 183 CB ASN A 10 18.855 3.983 -4.327 1.00 22.24 C ATOM 184 CG ASN A 10 20.063 4.560 -3.614 1.00 63.33 C ATOM 185 OD1 ASN A 10 20.916 3.685 -3.093 1.00 54.20 O flip ATOM 186 ND2 ASN A 10 20.228 5.777 -3.534 1.00 41.32 N flip ATOM 0 H ASN A 10 16.905 4.492 -6.707 1.00 3.24 H new ATOM 0 HA ASN A 10 19.582 5.122 -5.998 1.00 64.50 H new ATOM 0 HB2 ASN A 10 17.947 4.311 -3.821 1.00 22.24 H new ATOM 0 HB3 ASN A 10 18.882 2.895 -4.260 1.00 22.24 H new ATOM 0 HD21 ASN A 10 19.547 6.412 -3.949 1.00 41.32 H new ATOM 0 HD22 ASN A 10 21.046 6.150 -3.053 1.00 41.32 H new ATOM 193 N ASP A 11 18.165 2.171 -6.525 1.00 61.13 N ATOM 194 CA ASP A 11 18.265 0.950 -7.317 1.00 44.41 C ATOM 195 C ASP A 11 16.958 0.165 -7.273 1.00 24.12 C ATOM 196 O ASP A 11 16.947 -1.023 -6.952 1.00 23.01 O ATOM 197 CB ASP A 11 19.415 0.080 -6.808 1.00 64.11 C ATOM 198 CG ASP A 11 19.288 -0.243 -5.332 1.00 50.23 C ATOM 199 OD1 ASP A 11 19.642 0.622 -4.503 1.00 32.51 O ATOM 200 OD2 ASP A 11 18.834 -1.359 -5.007 1.00 34.23 O ATOM 0 H ASP A 11 17.401 2.174 -5.849 1.00 61.13 H new ATOM 0 HA ASP A 11 18.463 1.232 -8.351 1.00 44.41 H new ATOM 0 HB2 ASP A 11 19.445 -0.848 -7.379 1.00 64.11 H new ATOM 0 HB3 ASP A 11 20.360 0.593 -6.985 1.00 64.11 H new ATOM 205 N ALA A 12 15.859 0.837 -7.596 1.00 54.43 N ATOM 206 CA ALA A 12 14.547 0.202 -7.594 1.00 54.33 C ATOM 207 C ALA A 12 14.439 -0.839 -8.703 1.00 40.23 C ATOM 208 O ALA A 12 13.684 -1.804 -8.590 1.00 73.41 O ATOM 209 CB ALA A 12 13.453 1.250 -7.743 1.00 61.31 C ATOM 0 H ALA A 12 15.851 1.822 -7.863 1.00 54.43 H new ATOM 0 HA ALA A 12 14.419 -0.308 -6.639 1.00 54.33 H new ATOM 0 HB1 ALA A 12 12.479 0.762 -7.740 1.00 61.31 H new ATOM 0 HB2 ALA A 12 13.508 1.954 -6.913 1.00 61.31 H new ATOM 0 HB3 ALA A 12 13.588 1.785 -8.683 1.00 61.31 H new ATOM 215 N ASP A 13 15.198 -0.636 -9.775 1.00 10.25 N ATOM 216 CA ASP A 13 15.188 -1.558 -10.904 1.00 40.45 C ATOM 217 C ASP A 13 15.526 -2.975 -10.453 1.00 11.15 C ATOM 218 O ASP A 13 14.948 -3.946 -10.939 1.00 61.33 O ATOM 219 CB ASP A 13 16.182 -1.099 -11.973 1.00 32.11 C ATOM 220 CG ASP A 13 16.090 0.389 -12.248 1.00 63.12 C ATOM 221 OD1 ASP A 13 14.958 0.912 -12.315 1.00 30.14 O ATOM 222 OD2 ASP A 13 17.151 1.031 -12.396 1.00 61.34 O ATOM 0 H ASP A 13 15.828 0.159 -9.885 1.00 10.25 H new ATOM 0 HA ASP A 13 14.184 -1.562 -11.329 1.00 40.45 H new ATOM 0 HB2 ASP A 13 17.195 -1.344 -11.653 1.00 32.11 H new ATOM 0 HB3 ASP A 13 15.998 -1.648 -12.896 1.00 32.11 H new ATOM 227 N MET A 14 16.466 -3.085 -9.520 1.00 1.34 N ATOM 228 CA MET A 14 16.881 -4.384 -9.002 1.00 54.42 C ATOM 229 C MET A 14 15.680 -5.175 -8.494 1.00 14.21 C ATOM 230 O MET A 14 15.703 -6.405 -8.462 1.00 5.20 O ATOM 231 CB MET A 14 17.902 -4.206 -7.877 1.00 42.03 C ATOM 232 CG MET A 14 19.246 -4.855 -8.168 1.00 75.32 C ATOM 233 SD MET A 14 20.635 -3.756 -7.835 1.00 2.21 S ATOM 234 CE MET A 14 20.939 -3.089 -9.469 1.00 60.23 C ATOM 0 H MET A 14 16.955 -2.291 -9.107 1.00 1.34 H new ATOM 0 HA MET A 14 17.343 -4.942 -9.817 1.00 54.42 H new ATOM 0 HB2 MET A 14 18.053 -3.141 -7.699 1.00 42.03 H new ATOM 0 HB3 MET A 14 17.495 -4.628 -6.958 1.00 42.03 H new ATOM 0 HG2 MET A 14 19.348 -5.756 -7.564 1.00 75.32 H new ATOM 0 HG3 MET A 14 19.276 -5.166 -9.212 1.00 75.32 H new ATOM 0 HE1 MET A 14 21.796 -2.416 -9.434 1.00 60.23 H new ATOM 0 HE2 MET A 14 21.146 -3.904 -10.162 1.00 60.23 H new ATOM 0 HE3 MET A 14 20.060 -2.540 -9.807 1.00 60.23 H new ATOM 244 N ALA A 15 14.631 -4.461 -8.097 1.00 42.12 N ATOM 245 CA ALA A 15 13.421 -5.097 -7.592 1.00 52.12 C ATOM 246 C ALA A 15 12.924 -6.172 -8.553 1.00 12.21 C ATOM 247 O ALA A 15 12.308 -7.153 -8.136 1.00 55.14 O ATOM 248 CB ALA A 15 12.337 -4.056 -7.356 1.00 11.35 C ATOM 0 H ALA A 15 14.595 -3.442 -8.116 1.00 42.12 H new ATOM 0 HA ALA A 15 13.661 -5.577 -6.643 1.00 52.12 H new ATOM 0 HB1 ALA A 15 11.439 -4.545 -6.979 1.00 11.35 H new ATOM 0 HB2 ALA A 15 12.686 -3.326 -6.626 1.00 11.35 H new ATOM 0 HB3 ALA A 15 12.108 -3.550 -8.294 1.00 11.35 H new ATOM 254 N ARG A 16 13.195 -5.980 -9.840 1.00 31.13 N ATOM 255 CA ARG A 16 12.773 -6.933 -10.860 1.00 1.34 C ATOM 256 C ARG A 16 13.289 -8.333 -10.542 1.00 64.11 C ATOM 257 O ARG A 16 12.623 -9.330 -10.823 1.00 22.52 O ATOM 258 CB ARG A 16 13.274 -6.493 -12.237 1.00 13.04 C ATOM 259 CG ARG A 16 12.167 -6.344 -13.268 1.00 0.01 C ATOM 260 CD ARG A 16 12.698 -6.510 -14.683 1.00 63.10 C ATOM 261 NE ARG A 16 11.894 -7.446 -15.463 1.00 73.53 N ATOM 262 CZ ARG A 16 12.057 -7.647 -16.766 1.00 61.41 C ATOM 263 NH1 ARG A 16 12.991 -6.981 -17.431 1.00 61.40 N ATOM 264 NH2 ARG A 16 11.286 -8.517 -17.406 1.00 54.45 N ATOM 0 H ARG A 16 13.705 -5.174 -10.201 1.00 31.13 H new ATOM 0 HA ARG A 16 11.683 -6.960 -10.869 1.00 1.34 H new ATOM 0 HB2 ARG A 16 13.797 -5.542 -12.137 1.00 13.04 H new ATOM 0 HB3 ARG A 16 14.001 -7.220 -12.599 1.00 13.04 H new ATOM 0 HG2 ARG A 16 11.391 -7.086 -13.080 1.00 0.01 H new ATOM 0 HG3 ARG A 16 11.702 -5.363 -13.165 1.00 0.01 H new ATOM 0 HD2 ARG A 16 12.711 -5.541 -15.181 1.00 63.10 H new ATOM 0 HD3 ARG A 16 13.729 -6.862 -14.644 1.00 63.10 H new ATOM 0 HE ARG A 16 11.167 -7.975 -14.981 1.00 73.53 H new ATOM 0 HH11 ARG A 16 13.586 -6.313 -16.942 1.00 61.40 H new ATOM 0 HH12 ARG A 16 13.114 -7.137 -18.431 1.00 61.40 H new ATOM 0 HH21 ARG A 16 10.567 -9.032 -16.897 1.00 54.45 H new ATOM 0 HH22 ARG A 16 11.412 -8.671 -18.406 1.00 54.45 H new ATOM 278 N LEU A 17 14.480 -8.400 -9.956 1.00 73.32 N ATOM 279 CA LEU A 17 15.086 -9.679 -9.601 1.00 3.53 C ATOM 280 C LEU A 17 14.122 -10.530 -8.782 1.00 34.13 C ATOM 281 O LEU A 17 14.167 -11.760 -8.831 1.00 72.01 O ATOM 282 CB LEU A 17 16.378 -9.451 -8.814 1.00 1.04 C ATOM 283 CG LEU A 17 17.625 -9.146 -9.644 1.00 42.10 C ATOM 284 CD1 LEU A 17 18.111 -7.730 -9.377 1.00 53.55 C ATOM 285 CD2 LEU A 17 18.725 -10.154 -9.345 1.00 2.15 C ATOM 0 H LEU A 17 15.044 -7.585 -9.717 1.00 73.32 H new ATOM 0 HA LEU A 17 15.318 -10.212 -10.523 1.00 3.53 H new ATOM 0 HB2 LEU A 17 16.217 -8.625 -8.121 1.00 1.04 H new ATOM 0 HB3 LEU A 17 16.575 -10.338 -8.212 1.00 1.04 H new ATOM 0 HG LEU A 17 17.364 -9.226 -10.699 1.00 42.10 H new ATOM 0 HD11 LEU A 17 18.999 -7.531 -9.977 1.00 53.55 H new ATOM 0 HD12 LEU A 17 17.328 -7.020 -9.643 1.00 53.55 H new ATOM 0 HD13 LEU A 17 18.355 -7.622 -8.320 1.00 53.55 H new ATOM 0 HD21 LEU A 17 19.605 -9.921 -9.945 1.00 2.15 H new ATOM 0 HD22 LEU A 17 18.984 -10.107 -8.287 1.00 2.15 H new ATOM 0 HD23 LEU A 17 18.375 -11.157 -9.588 1.00 2.15 H new ATOM 297 N LEU A 18 13.248 -9.868 -8.031 1.00 23.54 N ATOM 298 CA LEU A 18 12.270 -10.564 -7.202 1.00 71.50 C ATOM 299 C LEU A 18 11.497 -11.594 -8.021 1.00 12.55 C ATOM 300 O LEU A 18 11.216 -12.693 -7.546 1.00 30.42 O ATOM 301 CB LEU A 18 11.300 -9.563 -6.574 1.00 13.44 C ATOM 302 CG LEU A 18 10.652 -9.991 -5.256 1.00 61.24 C ATOM 303 CD1 LEU A 18 9.783 -11.221 -5.465 1.00 34.45 C ATOM 304 CD2 LEU A 18 11.716 -10.260 -4.202 1.00 13.33 C ATOM 0 H LEU A 18 13.197 -8.851 -7.979 1.00 23.54 H new ATOM 0 HA LEU A 18 12.807 -11.086 -6.410 1.00 71.50 H new ATOM 0 HB2 LEU A 18 11.833 -8.627 -6.406 1.00 13.44 H new ATOM 0 HB3 LEU A 18 10.508 -9.354 -7.294 1.00 13.44 H new ATOM 0 HG LEU A 18 10.017 -9.178 -4.903 1.00 61.24 H new ATOM 0 HD11 LEU A 18 9.330 -11.512 -4.517 1.00 34.45 H new ATOM 0 HD12 LEU A 18 8.999 -10.994 -6.188 1.00 34.45 H new ATOM 0 HD13 LEU A 18 10.396 -12.040 -5.840 1.00 34.45 H new ATOM 0 HD21 LEU A 18 11.237 -10.563 -3.271 1.00 13.33 H new ATOM 0 HD22 LEU A 18 12.376 -11.056 -4.547 1.00 13.33 H new ATOM 0 HD23 LEU A 18 12.298 -9.354 -4.033 1.00 13.33 H new ATOM 316 N GLU A 19 11.158 -11.228 -9.253 1.00 71.30 N ATOM 317 CA GLU A 19 10.419 -12.121 -10.138 1.00 34.25 C ATOM 318 C GLU A 19 11.118 -13.472 -10.256 1.00 23.13 C ATOM 319 O GLU A 19 10.473 -14.501 -10.452 1.00 73.22 O ATOM 320 CB GLU A 19 10.266 -11.491 -11.523 1.00 54.23 C ATOM 321 CG GLU A 19 8.848 -11.550 -12.066 1.00 34.21 C ATOM 322 CD GLU A 19 8.486 -10.328 -12.888 1.00 33.32 C ATOM 323 OE1 GLU A 19 9.412 -9.624 -13.342 1.00 31.02 O ATOM 324 OE2 GLU A 19 7.278 -10.076 -13.077 1.00 35.13 O ATOM 0 H GLU A 19 11.383 -10.320 -9.661 1.00 71.30 H new ATOM 0 HA GLU A 19 9.430 -12.280 -9.708 1.00 34.25 H new ATOM 0 HB2 GLU A 19 10.585 -10.450 -11.476 1.00 54.23 H new ATOM 0 HB3 GLU A 19 10.934 -11.998 -12.219 1.00 54.23 H new ATOM 0 HG2 GLU A 19 8.735 -12.443 -12.681 1.00 34.21 H new ATOM 0 HG3 GLU A 19 8.149 -11.645 -11.235 1.00 34.21 H new ATOM 331 N GLN A 20 12.442 -13.459 -10.135 1.00 11.10 N ATOM 332 CA GLN A 20 13.229 -14.682 -10.230 1.00 24.45 C ATOM 333 C GLN A 20 12.688 -15.752 -9.287 1.00 22.31 C ATOM 334 O GLN A 20 12.797 -16.947 -9.562 1.00 35.34 O ATOM 335 CB GLN A 20 14.697 -14.396 -9.906 1.00 53.21 C ATOM 336 CG GLN A 20 15.656 -15.438 -10.458 1.00 1.11 C ATOM 337 CD GLN A 20 16.555 -16.028 -9.389 1.00 41.51 C ATOM 338 OE1 GLN A 20 16.920 -15.352 -8.426 1.00 75.12 O ATOM 339 NE2 GLN A 20 16.918 -17.294 -9.553 1.00 70.31 N ATOM 0 H GLN A 20 12.991 -12.615 -9.971 1.00 11.10 H new ATOM 0 HA GLN A 20 13.155 -15.053 -11.252 1.00 24.45 H new ATOM 0 HB2 GLN A 20 14.965 -13.419 -10.307 1.00 53.21 H new ATOM 0 HB3 GLN A 20 14.817 -14.340 -8.824 1.00 53.21 H new ATOM 0 HG2 GLN A 20 15.085 -16.238 -10.930 1.00 1.11 H new ATOM 0 HG3 GLN A 20 16.271 -14.985 -11.235 1.00 1.11 H new ATOM 0 HE21 GLN A 20 16.592 -17.817 -10.366 1.00 70.31 H new ATOM 0 HE22 GLN A 20 17.523 -17.744 -8.866 1.00 70.31 H new ATOM 348 N TRP A 21 12.107 -15.315 -8.176 1.00 34.10 N ATOM 349 CA TRP A 21 11.549 -16.236 -7.192 1.00 72.22 C ATOM 350 C TRP A 21 10.363 -17.000 -7.772 1.00 43.31 C ATOM 351 O TRP A 21 10.193 -18.190 -7.510 1.00 53.30 O ATOM 352 CB TRP A 21 11.117 -15.475 -5.938 1.00 13.11 C ATOM 353 CG TRP A 21 12.265 -15.068 -5.065 1.00 21.32 C ATOM 354 CD1 TRP A 21 12.908 -13.863 -5.064 1.00 72.33 C ATOM 355 CD2 TRP A 21 12.907 -15.868 -4.066 1.00 64.31 C ATOM 356 NE1 TRP A 21 13.911 -13.866 -4.125 1.00 61.05 N ATOM 357 CE2 TRP A 21 13.931 -15.084 -3.499 1.00 11.00 C ATOM 358 CE3 TRP A 21 12.716 -17.170 -3.594 1.00 44.32 C ATOM 359 CZ2 TRP A 21 14.759 -15.561 -2.486 1.00 41.43 C ATOM 360 CZ3 TRP A 21 13.539 -17.641 -2.589 1.00 64.34 C ATOM 361 CH2 TRP A 21 14.550 -16.838 -2.044 1.00 32.44 C ATOM 0 H TRP A 21 12.010 -14.329 -7.934 1.00 34.10 H new ATOM 0 HA TRP A 21 12.324 -16.954 -6.924 1.00 72.22 H new ATOM 0 HB2 TRP A 21 10.562 -14.585 -6.235 1.00 13.11 H new ATOM 0 HB3 TRP A 21 10.434 -16.098 -5.361 1.00 13.11 H new ATOM 0 HD1 TRP A 21 12.664 -13.030 -5.707 1.00 72.33 H new ATOM 0 HE1 TRP A 21 14.539 -13.087 -3.926 1.00 61.05 H new ATOM 0 HE3 TRP A 21 11.939 -17.796 -4.007 1.00 44.32 H new ATOM 0 HZ2 TRP A 21 15.539 -14.944 -2.064 1.00 41.43 H new ATOM 0 HZ3 TRP A 21 13.401 -18.645 -2.217 1.00 64.34 H new ATOM 0 HH2 TRP A 21 15.177 -17.236 -1.259 1.00 32.44 H new ATOM 372 N GLU A 22 9.547 -16.307 -8.561 1.00 65.30 N ATOM 373 CA GLU A 22 8.378 -16.922 -9.177 1.00 35.11 C ATOM 374 C GLU A 22 8.785 -18.084 -10.079 1.00 53.52 C ATOM 375 O GLU A 22 8.508 -19.245 -9.779 1.00 25.14 O ATOM 376 CB GLU A 22 7.594 -15.885 -9.984 1.00 43.15 C ATOM 377 CG GLU A 22 6.715 -14.986 -9.131 1.00 24.20 C ATOM 378 CD GLU A 22 7.500 -14.243 -8.067 1.00 33.52 C ATOM 379 OE1 GLU A 22 7.798 -14.852 -7.018 1.00 24.12 O ATOM 380 OE2 GLU A 22 7.814 -13.055 -8.282 1.00 44.53 O ATOM 0 H GLU A 22 9.674 -15.321 -8.788 1.00 65.30 H new ATOM 0 HA GLU A 22 7.742 -17.309 -8.381 1.00 35.11 H new ATOM 0 HB2 GLU A 22 8.296 -15.267 -10.544 1.00 43.15 H new ATOM 0 HB3 GLU A 22 6.971 -16.401 -10.714 1.00 43.15 H new ATOM 0 HG2 GLU A 22 6.208 -14.266 -9.773 1.00 24.20 H new ATOM 0 HG3 GLU A 22 5.942 -15.587 -8.653 1.00 24.20 H new ATOM 387 N LYS A 23 9.443 -17.761 -11.187 1.00 60.34 N ATOM 388 CA LYS A 23 9.890 -18.776 -12.135 1.00 10.42 C ATOM 389 C LYS A 23 8.701 -19.511 -12.745 1.00 64.32 C ATOM 390 O LYS A 23 8.834 -20.641 -13.216 1.00 31.10 O ATOM 391 CB LYS A 23 10.821 -19.774 -11.443 1.00 72.10 C ATOM 392 CG LYS A 23 11.799 -20.449 -12.389 1.00 22.25 C ATOM 393 CD LYS A 23 11.740 -21.962 -12.265 1.00 71.51 C ATOM 394 CE LYS A 23 12.001 -22.641 -13.601 1.00 72.30 C ATOM 395 NZ LYS A 23 13.445 -22.947 -13.795 1.00 43.32 N ATOM 0 H LYS A 23 9.679 -16.804 -11.451 1.00 60.34 H new ATOM 0 HA LYS A 23 10.435 -18.276 -12.936 1.00 10.42 H new ATOM 0 HB2 LYS A 23 11.380 -19.256 -10.664 1.00 72.10 H new ATOM 0 HB3 LYS A 23 10.220 -20.538 -10.950 1.00 72.10 H new ATOM 0 HG2 LYS A 23 11.574 -20.158 -13.415 1.00 22.25 H new ATOM 0 HG3 LYS A 23 12.811 -20.105 -12.175 1.00 22.25 H new ATOM 0 HD2 LYS A 23 12.477 -22.297 -11.535 1.00 71.51 H new ATOM 0 HD3 LYS A 23 10.761 -22.260 -11.889 1.00 71.51 H new ATOM 0 HE2 LYS A 23 11.423 -23.564 -13.658 1.00 72.30 H new ATOM 0 HE3 LYS A 23 11.654 -21.997 -14.409 1.00 72.30 H new ATOM 0 HZ1 LYS A 23 13.581 -23.409 -14.717 1.00 43.32 H new ATOM 0 HZ2 LYS A 23 13.994 -22.064 -13.766 1.00 43.32 H new ATOM 0 HZ3 LYS A 23 13.770 -23.582 -13.038 1.00 43.32 H new ATOM 409 N ASP A 24 7.542 -18.863 -12.735 1.00 72.30 N ATOM 410 CA ASP A 24 6.330 -19.455 -13.290 1.00 62.42 C ATOM 411 C ASP A 24 6.412 -19.535 -14.811 1.00 61.04 C ATOM 412 O ASP A 24 5.773 -20.384 -15.434 1.00 1.43 O ATOM 413 CB ASP A 24 5.103 -18.642 -12.875 1.00 21.10 C ATOM 414 CG ASP A 24 4.153 -19.434 -11.998 1.00 61.35 C ATOM 415 OD1 ASP A 24 4.358 -19.451 -10.767 1.00 33.41 O ATOM 416 OD2 ASP A 24 3.205 -20.038 -12.544 1.00 44.22 O ATOM 0 H ASP A 24 7.416 -17.927 -12.349 1.00 72.30 H new ATOM 0 HA ASP A 24 6.236 -20.467 -12.895 1.00 62.42 H new ATOM 0 HB2 ASP A 24 5.426 -17.749 -12.341 1.00 21.10 H new ATOM 0 HB3 ASP A 24 4.575 -18.306 -13.767 1.00 21.10 H new ATOM 421 N ASP A 25 7.201 -18.645 -15.404 1.00 22.55 N ATOM 422 CA ASP A 25 7.367 -18.615 -16.852 1.00 52.21 C ATOM 423 C ASP A 25 6.046 -18.289 -17.543 1.00 64.12 C ATOM 424 O ASP A 25 5.665 -18.943 -18.514 1.00 53.21 O ATOM 425 CB ASP A 25 7.902 -19.957 -17.354 1.00 41.21 C ATOM 426 CG ASP A 25 8.586 -19.840 -18.702 1.00 51.41 C ATOM 427 OD1 ASP A 25 8.274 -18.885 -19.444 1.00 2.10 O ATOM 428 OD2 ASP A 25 9.432 -20.703 -19.016 1.00 21.14 O ATOM 0 H ASP A 25 7.736 -17.935 -14.904 1.00 22.55 H new ATOM 0 HA ASP A 25 8.087 -17.833 -17.095 1.00 52.21 H new ATOM 0 HB2 ASP A 25 8.607 -20.359 -16.626 1.00 41.21 H new ATOM 0 HB3 ASP A 25 7.079 -20.668 -17.428 1.00 41.21 H new ATOM 433 N ASP A 26 5.353 -17.276 -17.036 1.00 4.22 N ATOM 434 CA ASP A 26 4.075 -16.863 -17.604 1.00 63.00 C ATOM 435 C ASP A 26 4.281 -15.854 -18.729 1.00 45.22 C ATOM 436 O ASP A 26 3.673 -14.783 -18.735 1.00 22.11 O ATOM 437 CB ASP A 26 3.181 -16.260 -16.519 1.00 63.41 C ATOM 438 CG ASP A 26 1.708 -16.356 -16.864 1.00 41.40 C ATOM 439 OD1 ASP A 26 1.383 -16.393 -18.069 1.00 35.22 O ATOM 440 OD2 ASP A 26 0.881 -16.392 -15.929 1.00 54.41 O ATOM 0 H ASP A 26 5.655 -16.725 -16.232 1.00 4.22 H new ATOM 0 HA ASP A 26 3.587 -17.746 -18.017 1.00 63.00 H new ATOM 0 HB2 ASP A 26 3.364 -16.773 -15.575 1.00 63.41 H new ATOM 0 HB3 ASP A 26 3.449 -15.214 -16.371 1.00 63.41 H new ATOM 445 N ILE A 27 5.143 -16.202 -19.679 1.00 1.02 N ATOM 446 CA ILE A 27 5.429 -15.326 -20.809 1.00 21.54 C ATOM 447 C ILE A 27 5.415 -16.101 -22.122 1.00 31.31 C ATOM 448 O ILE A 27 5.763 -17.281 -22.161 1.00 42.33 O ATOM 449 CB ILE A 27 6.794 -14.631 -20.650 1.00 62.15 C ATOM 450 CG1 ILE A 27 6.891 -13.954 -19.282 1.00 31.55 C ATOM 451 CG2 ILE A 27 7.004 -13.617 -21.765 1.00 0.33 C ATOM 452 CD1 ILE A 27 7.866 -14.628 -18.342 1.00 63.31 C ATOM 0 H ILE A 27 5.655 -17.084 -19.689 1.00 1.02 H new ATOM 0 HA ILE A 27 4.645 -14.569 -20.829 1.00 21.54 H new ATOM 0 HB ILE A 27 7.579 -15.385 -20.717 1.00 62.15 H new ATOM 0 HG12 ILE A 27 7.191 -12.915 -19.420 1.00 31.55 H new ATOM 0 HG13 ILE A 27 5.903 -13.942 -18.821 1.00 31.55 H new ATOM 0 HG21 ILE A 27 7.973 -13.134 -21.640 1.00 0.33 H new ATOM 0 HG22 ILE A 27 6.974 -14.125 -22.729 1.00 0.33 H new ATOM 0 HG23 ILE A 27 6.216 -12.865 -21.726 1.00 0.33 H new ATOM 0 HD11 ILE A 27 7.883 -14.095 -17.392 1.00 63.31 H new ATOM 0 HD12 ILE A 27 7.555 -15.659 -18.174 1.00 63.31 H new ATOM 0 HD13 ILE A 27 8.863 -14.617 -18.782 1.00 63.31 H new ATOM 1035 N THR A 64 18.455 4.307 -23.628 1.00 23.51 N ATOM 1036 CA THR A 64 17.025 4.458 -23.392 1.00 41.02 C ATOM 1037 C THR A 64 16.497 3.351 -22.487 1.00 12.32 C ATOM 1038 O THR A 64 16.925 2.200 -22.582 1.00 14.12 O ATOM 1039 CB THR A 64 16.234 4.446 -24.714 1.00 14.34 C ATOM 1040 OG1 THR A 64 17.114 4.701 -25.814 1.00 54.31 O ATOM 1041 CG2 THR A 64 15.127 5.490 -24.691 1.00 33.44 C ATOM 0 HA THR A 64 16.885 5.421 -22.902 1.00 41.02 H new ATOM 0 HB THR A 64 15.782 3.461 -24.832 1.00 14.34 H new ATOM 0 HG1 THR A 64 18.042 4.564 -25.529 1.00 54.31 H new ATOM 0 HG21 THR A 64 14.582 5.463 -25.635 1.00 33.44 H new ATOM 0 HG22 THR A 64 14.442 5.276 -23.870 1.00 33.44 H new ATOM 0 HG23 THR A 64 15.563 6.479 -24.552 1.00 33.44 H new ATOM 1049 N LEU A 65 15.565 3.706 -21.609 1.00 74.24 N ATOM 1050 CA LEU A 65 14.976 2.741 -20.686 1.00 44.43 C ATOM 1051 C LEU A 65 13.472 2.624 -20.907 1.00 72.22 C ATOM 1052 O LEU A 65 12.759 3.627 -20.938 1.00 30.53 O ATOM 1053 CB LEU A 65 15.261 3.151 -19.240 1.00 54.11 C ATOM 1054 CG LEU A 65 14.357 4.240 -18.661 1.00 41.42 C ATOM 1055 CD1 LEU A 65 13.145 3.623 -17.982 1.00 32.14 C ATOM 1056 CD2 LEU A 65 15.132 5.113 -17.684 1.00 70.52 C ATOM 0 H LEU A 65 15.201 4.654 -21.517 1.00 74.24 H new ATOM 0 HA LEU A 65 15.429 1.768 -20.878 1.00 44.43 H new ATOM 0 HB2 LEU A 65 15.179 2.266 -18.609 1.00 54.11 H new ATOM 0 HB3 LEU A 65 16.294 3.493 -19.177 1.00 54.11 H new ATOM 0 HG LEU A 65 14.007 4.868 -19.480 1.00 41.42 H new ATOM 0 HD11 LEU A 65 12.514 4.413 -17.576 1.00 32.14 H new ATOM 0 HD12 LEU A 65 12.577 3.042 -18.709 1.00 32.14 H new ATOM 0 HD13 LEU A 65 13.474 2.970 -17.173 1.00 32.14 H new ATOM 0 HD21 LEU A 65 14.473 5.882 -17.282 1.00 70.52 H new ATOM 0 HD22 LEU A 65 15.511 4.498 -16.868 1.00 70.52 H new ATOM 0 HD23 LEU A 65 15.967 5.585 -18.201 1.00 70.52 H new ATOM 1068 N MET A 66 12.996 1.392 -21.059 1.00 14.35 N ATOM 1069 CA MET A 66 11.575 1.144 -21.273 1.00 34.11 C ATOM 1070 C MET A 66 11.246 -0.333 -21.080 1.00 32.12 C ATOM 1071 O MET A 66 11.699 -1.184 -21.844 1.00 63.31 O ATOM 1072 CB MET A 66 11.163 1.591 -22.677 1.00 61.41 C ATOM 1073 CG MET A 66 12.216 1.310 -23.737 1.00 40.20 C ATOM 1074 SD MET A 66 11.699 1.829 -25.384 1.00 75.05 S ATOM 1075 CE MET A 66 11.644 3.607 -25.178 1.00 13.31 C ATOM 0 H MET A 66 13.573 0.551 -21.038 1.00 14.35 H new ATOM 0 HA MET A 66 11.016 1.722 -20.537 1.00 34.11 H new ATOM 0 HB2 MET A 66 10.237 1.086 -22.953 1.00 61.41 H new ATOM 0 HB3 MET A 66 10.951 2.660 -22.662 1.00 61.41 H new ATOM 0 HG2 MET A 66 13.140 1.824 -23.471 1.00 40.20 H new ATOM 0 HG3 MET A 66 12.438 0.243 -23.749 1.00 40.20 H new ATOM 0 HE1 MET A 66 11.835 4.090 -26.136 1.00 13.31 H new ATOM 0 HE2 MET A 66 10.660 3.901 -24.813 1.00 13.31 H new ATOM 0 HE3 MET A 66 12.404 3.914 -24.459 1.00 13.31 H new ATOM 1085 N MET A 67 10.455 -0.629 -20.054 1.00 21.44 N ATOM 1086 CA MET A 67 10.065 -2.004 -19.762 1.00 25.05 C ATOM 1087 C MET A 67 8.711 -2.048 -19.062 1.00 31.24 C ATOM 1088 O MET A 67 8.407 -1.200 -18.223 1.00 14.13 O ATOM 1089 CB MET A 67 11.125 -2.683 -18.891 1.00 53.02 C ATOM 1090 CG MET A 67 12.120 -3.515 -19.683 1.00 60.13 C ATOM 1091 SD MET A 67 13.753 -3.558 -18.920 1.00 11.22 S ATOM 1092 CE MET A 67 14.486 -2.074 -19.604 1.00 54.42 C ATOM 0 H MET A 67 10.072 0.064 -19.411 1.00 21.44 H new ATOM 0 HA MET A 67 9.983 -2.541 -20.707 1.00 25.05 H new ATOM 0 HB2 MET A 67 11.666 -1.920 -18.331 1.00 53.02 H new ATOM 0 HB3 MET A 67 10.629 -3.323 -18.161 1.00 53.02 H new ATOM 0 HG2 MET A 67 11.741 -4.533 -19.779 1.00 60.13 H new ATOM 0 HG3 MET A 67 12.205 -3.110 -20.691 1.00 60.13 H new ATOM 0 HE1 MET A 67 15.502 -1.962 -19.224 1.00 54.42 H new ATOM 0 HE2 MET A 67 14.511 -2.148 -20.691 1.00 54.42 H new ATOM 0 HE3 MET A 67 13.892 -1.208 -19.313 1.00 54.42 H new ATOM 1102 N PHE A 68 7.901 -3.042 -19.412 1.00 11.21 N ATOM 1103 CA PHE A 68 6.578 -3.195 -18.818 1.00 30.21 C ATOM 1104 C PHE A 68 6.277 -4.664 -18.533 1.00 53.23 C ATOM 1105 O PHE A 68 6.254 -5.492 -19.444 1.00 34.35 O ATOM 1106 CB PHE A 68 5.509 -2.614 -19.745 1.00 53.03 C ATOM 1107 CG PHE A 68 5.891 -1.291 -20.346 1.00 32.40 C ATOM 1108 CD1 PHE A 68 6.042 -0.170 -19.546 1.00 64.30 C ATOM 1109 CD2 PHE A 68 6.099 -1.169 -21.710 1.00 70.53 C ATOM 1110 CE1 PHE A 68 6.393 1.048 -20.096 1.00 62.04 C ATOM 1111 CE2 PHE A 68 6.450 0.046 -22.266 1.00 44.24 C ATOM 1112 CZ PHE A 68 6.599 1.156 -21.458 1.00 54.10 C ATOM 0 H PHE A 68 8.138 -3.753 -20.104 1.00 11.21 H new ATOM 0 HA PHE A 68 6.565 -2.650 -17.874 1.00 30.21 H new ATOM 0 HB2 PHE A 68 5.310 -3.325 -20.547 1.00 53.03 H new ATOM 0 HB3 PHE A 68 4.580 -2.496 -19.186 1.00 53.03 H new ATOM 0 HD1 PHE A 68 5.884 -0.249 -18.481 1.00 64.30 H new ATOM 0 HD2 PHE A 68 5.985 -2.034 -22.346 1.00 70.53 H new ATOM 0 HE1 PHE A 68 6.506 1.915 -19.462 1.00 62.04 H new ATOM 0 HE2 PHE A 68 6.608 0.128 -23.331 1.00 44.24 H new ATOM 0 HZ PHE A 68 6.876 2.106 -21.890 1.00 54.10 H new ATOM 1122 N VAL A 69 6.047 -4.979 -17.263 1.00 14.04 N ATOM 1123 CA VAL A 69 5.746 -6.347 -16.856 1.00 41.35 C ATOM 1124 C VAL A 69 4.665 -6.376 -15.782 1.00 20.00 C ATOM 1125 O VAL A 69 4.538 -5.444 -14.987 1.00 72.01 O ATOM 1126 CB VAL A 69 7.002 -7.063 -16.325 1.00 71.24 C ATOM 1127 CG1 VAL A 69 6.716 -8.539 -16.091 1.00 41.40 C ATOM 1128 CG2 VAL A 69 8.165 -6.884 -17.289 1.00 50.53 C ATOM 0 H VAL A 69 6.063 -4.305 -16.497 1.00 14.04 H new ATOM 0 HA VAL A 69 5.386 -6.869 -17.743 1.00 41.35 H new ATOM 0 HB VAL A 69 7.278 -6.615 -15.371 1.00 71.24 H new ATOM 0 HG11 VAL A 69 7.615 -9.029 -15.716 1.00 41.40 H new ATOM 0 HG12 VAL A 69 5.914 -8.643 -15.360 1.00 41.40 H new ATOM 0 HG13 VAL A 69 6.414 -9.004 -17.029 1.00 41.40 H new ATOM 0 HG21 VAL A 69 9.044 -7.396 -16.898 1.00 50.53 H new ATOM 0 HG22 VAL A 69 7.901 -7.305 -18.259 1.00 50.53 H new ATOM 0 HG23 VAL A 69 8.384 -5.822 -17.402 1.00 50.53 H new ATOM 1138 N THR A 70 3.887 -7.454 -15.763 1.00 14.44 N ATOM 1139 CA THR A 70 2.815 -7.605 -14.786 1.00 63.12 C ATOM 1140 C THR A 70 2.289 -9.036 -14.765 1.00 11.50 C ATOM 1141 O THR A 70 1.205 -9.317 -15.276 1.00 52.51 O ATOM 1142 CB THR A 70 1.647 -6.645 -15.080 1.00 44.32 C ATOM 1143 OG1 THR A 70 0.522 -6.976 -14.258 1.00 43.44 O ATOM 1144 CG2 THR A 70 1.248 -6.711 -16.546 1.00 71.45 C ATOM 0 H THR A 70 3.979 -8.235 -16.413 1.00 14.44 H new ATOM 0 HA THR A 70 3.239 -7.362 -13.812 1.00 63.12 H new ATOM 0 HB THR A 70 1.974 -5.630 -14.855 1.00 44.32 H new ATOM 0 HG1 THR A 70 0.216 -7.882 -14.471 1.00 43.44 H new ATOM 0 HG21 THR A 70 0.421 -6.025 -16.729 1.00 71.45 H new ATOM 0 HG22 THR A 70 2.098 -6.430 -17.167 1.00 71.45 H new ATOM 0 HG23 THR A 70 0.938 -7.726 -16.793 1.00 71.45 H new ATOM 1152 N VAL A 71 3.063 -9.937 -14.170 1.00 21.34 N ATOM 1153 CA VAL A 71 2.674 -11.340 -14.080 1.00 54.51 C ATOM 1154 C VAL A 71 3.639 -12.123 -13.197 1.00 53.32 C ATOM 1155 O VAL A 71 4.746 -11.666 -12.913 1.00 13.15 O ATOM 1156 CB VAL A 71 2.620 -11.997 -15.472 1.00 34.01 C ATOM 1157 CG1 VAL A 71 4.022 -12.311 -15.969 1.00 44.32 C ATOM 1158 CG2 VAL A 71 1.765 -13.255 -15.434 1.00 11.23 C ATOM 0 H VAL A 71 3.964 -9.721 -13.743 1.00 21.34 H new ATOM 0 HA VAL A 71 1.679 -11.365 -13.636 1.00 54.51 H new ATOM 0 HB VAL A 71 2.162 -11.295 -16.169 1.00 34.01 H new ATOM 0 HG11 VAL A 71 3.964 -12.775 -16.954 1.00 44.32 H new ATOM 0 HG12 VAL A 71 4.599 -11.389 -16.036 1.00 44.32 H new ATOM 0 HG13 VAL A 71 4.510 -12.995 -15.274 1.00 44.32 H new ATOM 0 HG21 VAL A 71 1.738 -13.706 -16.426 1.00 11.23 H new ATOM 0 HG22 VAL A 71 2.192 -13.964 -14.724 1.00 11.23 H new ATOM 0 HG23 VAL A 71 0.752 -12.997 -15.125 1.00 11.23 H new ATOM 1168 N SER A 72 3.211 -13.305 -12.767 1.00 24.51 N ATOM 1169 CA SER A 72 4.037 -14.152 -11.913 1.00 55.10 C ATOM 1170 C SER A 72 4.981 -15.010 -12.749 1.00 31.41 C ATOM 1171 O SER A 72 4.543 -15.812 -13.574 1.00 5.43 O ATOM 1172 CB SER A 72 3.154 -15.046 -11.040 1.00 21.21 C ATOM 1173 OG SER A 72 2.148 -15.679 -11.811 1.00 53.33 O ATOM 0 H SER A 72 2.298 -13.698 -12.995 1.00 24.51 H new ATOM 0 HA SER A 72 4.635 -13.506 -11.271 1.00 55.10 H new ATOM 0 HB2 SER A 72 3.768 -15.800 -10.549 1.00 21.21 H new ATOM 0 HB3 SER A 72 2.692 -14.449 -10.253 1.00 21.21 H new ATOM 0 HG SER A 72 2.536 -16.006 -12.650 1.00 53.33 H new ATOM 1179 N GLY A 73 6.281 -14.836 -12.529 1.00 34.13 N ATOM 1180 CA GLY A 73 7.267 -15.601 -13.269 1.00 5.35 C ATOM 1181 C GLY A 73 7.965 -14.774 -14.330 1.00 52.43 C ATOM 1182 O GLY A 73 7.351 -14.376 -15.319 1.00 72.24 O ATOM 0 H GLY A 73 6.668 -14.179 -11.852 1.00 34.13 H new ATOM 0 HA2 GLY A 73 8.009 -15.998 -12.576 1.00 5.35 H new ATOM 0 HA3 GLY A 73 6.781 -16.455 -13.740 1.00 5.35 H new ATOM 1186 N ASN A 74 9.252 -14.512 -14.124 1.00 74.32 N ATOM 1187 CA ASN A 74 10.033 -13.725 -15.071 1.00 53.20 C ATOM 1188 C ASN A 74 11.496 -13.658 -14.646 1.00 25.21 C ATOM 1189 O ASN A 74 11.978 -12.641 -14.146 1.00 71.21 O ATOM 1190 CB ASN A 74 9.459 -12.311 -15.186 1.00 73.23 C ATOM 1191 CG ASN A 74 9.715 -11.692 -16.547 1.00 23.23 C ATOM 1192 OD1 ASN A 74 10.980 -11.416 -16.842 1.00 30.41 O flip ATOM 1193 ND2 ASN A 74 8.787 -11.465 -17.323 1.00 2.02 N flip ATOM 0 H ASN A 74 9.776 -14.833 -13.310 1.00 74.32 H new ATOM 0 HA ASN A 74 9.977 -14.213 -16.044 1.00 53.20 H new ATOM 0 HB2 ASN A 74 8.385 -12.341 -15.000 1.00 73.23 H new ATOM 0 HB3 ASN A 74 9.899 -11.679 -14.414 1.00 73.23 H new ATOM 0 HD21 ASN A 74 7.830 -11.694 -17.054 1.00 2.02 H new ATOM 0 HD22 ASN A 74 8.975 -11.048 -18.235 1.00 2.02 H new ATOM 1200 N PRO A 75 12.223 -14.767 -14.849 1.00 34.50 N ATOM 1201 CA PRO A 75 13.642 -14.860 -14.495 1.00 61.21 C ATOM 1202 C PRO A 75 14.522 -14.001 -15.397 1.00 72.31 C ATOM 1203 O PRO A 75 15.051 -14.477 -16.402 1.00 72.13 O ATOM 1204 CB PRO A 75 13.961 -16.344 -14.693 1.00 71.23 C ATOM 1205 CG PRO A 75 12.962 -16.816 -15.693 1.00 2.10 C ATOM 1206 CD PRO A 75 11.714 -16.016 -15.440 1.00 71.52 C ATOM 0 HA PRO A 75 13.834 -14.500 -13.484 1.00 61.21 H new ATOM 0 HB2 PRO A 75 14.980 -16.485 -15.054 1.00 71.23 H new ATOM 0 HB3 PRO A 75 13.875 -16.896 -13.757 1.00 71.23 H new ATOM 0 HG2 PRO A 75 13.325 -16.663 -16.709 1.00 2.10 H new ATOM 0 HG3 PRO A 75 12.771 -17.883 -15.580 1.00 2.10 H new ATOM 0 HD2 PRO A 75 11.163 -15.829 -16.362 1.00 71.52 H new ATOM 0 HD3 PRO A 75 11.035 -16.534 -14.762 1.00 71.52 H new ATOM 1214 N THR A 76 14.675 -12.732 -15.032 1.00 23.22 N ATOM 1215 CA THR A 76 15.490 -11.807 -15.808 1.00 44.44 C ATOM 1216 C THR A 76 16.432 -11.015 -14.908 1.00 65.43 C ATOM 1217 O THR A 76 16.698 -9.839 -15.154 1.00 75.21 O ATOM 1218 CB THR A 76 14.616 -10.823 -16.608 1.00 53.31 C ATOM 1219 OG1 THR A 76 13.552 -10.331 -15.784 1.00 64.53 O ATOM 1220 CG2 THR A 76 14.037 -11.494 -17.844 1.00 64.54 C ATOM 0 H THR A 76 14.245 -12.322 -14.203 1.00 23.22 H new ATOM 0 HA THR A 76 16.076 -12.409 -16.502 1.00 44.44 H new ATOM 0 HB THR A 76 15.244 -9.991 -16.926 1.00 53.31 H new ATOM 0 HG1 THR A 76 12.696 -10.675 -16.115 1.00 64.53 H new ATOM 0 HG21 THR A 76 13.424 -10.779 -18.392 1.00 64.54 H new ATOM 0 HG22 THR A 76 14.849 -11.841 -18.483 1.00 64.54 H new ATOM 0 HG23 THR A 76 13.423 -12.343 -17.543 1.00 64.54 H new ATOM 1228 N GLU A 77 16.936 -11.669 -13.866 1.00 14.03 N ATOM 1229 CA GLU A 77 17.849 -11.024 -12.929 1.00 73.52 C ATOM 1230 C GLU A 77 19.004 -10.356 -13.669 1.00 24.44 C ATOM 1231 O GLU A 77 19.539 -9.341 -13.222 1.00 35.01 O ATOM 1232 CB GLU A 77 18.392 -12.046 -11.928 1.00 0.34 C ATOM 1233 CG GLU A 77 18.826 -13.354 -12.567 1.00 72.00 C ATOM 1234 CD GLU A 77 19.606 -14.239 -11.614 1.00 42.52 C ATOM 1235 OE1 GLU A 77 19.580 -13.967 -10.396 1.00 30.23 O ATOM 1236 OE2 GLU A 77 20.243 -15.203 -12.088 1.00 3.31 O ATOM 0 H GLU A 77 16.728 -12.644 -13.650 1.00 14.03 H new ATOM 0 HA GLU A 77 17.294 -10.257 -12.389 1.00 73.52 H new ATOM 0 HB2 GLU A 77 19.241 -11.610 -11.401 1.00 0.34 H new ATOM 0 HB3 GLU A 77 17.625 -12.253 -11.181 1.00 0.34 H new ATOM 0 HG2 GLU A 77 17.946 -13.892 -12.918 1.00 72.00 H new ATOM 0 HG3 GLU A 77 19.439 -13.140 -13.443 1.00 72.00 H new ATOM 1243 N LYS A 78 19.386 -10.934 -14.803 1.00 23.35 N ATOM 1244 CA LYS A 78 20.478 -10.397 -15.606 1.00 53.41 C ATOM 1245 C LYS A 78 20.088 -9.059 -16.227 1.00 43.12 C ATOM 1246 O LYS A 78 20.726 -8.038 -15.973 1.00 45.03 O ATOM 1247 CB LYS A 78 20.865 -11.388 -16.706 1.00 2.03 C ATOM 1248 CG LYS A 78 22.112 -12.195 -16.386 1.00 13.34 C ATOM 1249 CD LYS A 78 23.373 -11.366 -16.564 1.00 20.34 C ATOM 1250 CE LYS A 78 24.059 -11.102 -15.232 1.00 14.21 C ATOM 1251 NZ LYS A 78 25.128 -12.099 -14.951 1.00 23.00 N ATOM 0 H LYS A 78 18.955 -11.775 -15.187 1.00 23.35 H new ATOM 0 HA LYS A 78 21.335 -10.239 -14.951 1.00 53.41 H new ATOM 0 HB2 LYS A 78 20.034 -12.072 -16.876 1.00 2.03 H new ATOM 0 HB3 LYS A 78 21.024 -10.842 -17.636 1.00 2.03 H new ATOM 0 HG2 LYS A 78 22.057 -12.560 -15.360 1.00 13.34 H new ATOM 0 HG3 LYS A 78 22.156 -13.070 -17.034 1.00 13.34 H new ATOM 0 HD2 LYS A 78 24.060 -11.886 -17.232 1.00 20.34 H new ATOM 0 HD3 LYS A 78 23.122 -10.418 -17.040 1.00 20.34 H new ATOM 0 HE2 LYS A 78 24.489 -10.100 -15.237 1.00 14.21 H new ATOM 0 HE3 LYS A 78 23.320 -11.127 -14.432 1.00 14.21 H new ATOM 0 HZ1 LYS A 78 25.571 -11.884 -14.035 1.00 23.00 H new ATOM 0 HZ2 LYS A 78 24.714 -13.053 -14.920 1.00 23.00 H new ATOM 0 HZ3 LYS A 78 25.847 -12.058 -15.701 1.00 23.00 H new ATOM 1265 N GLU A 79 19.037 -9.073 -17.040 1.00 52.24 N ATOM 1266 CA GLU A 79 18.563 -7.860 -17.696 1.00 42.43 C ATOM 1267 C GLU A 79 18.206 -6.790 -16.669 1.00 13.43 C ATOM 1268 O GLU A 79 18.341 -5.593 -16.928 1.00 34.24 O ATOM 1269 CB GLU A 79 17.347 -8.168 -18.572 1.00 31.22 C ATOM 1270 CG GLU A 79 17.614 -8.017 -20.060 1.00 12.51 C ATOM 1271 CD GLU A 79 18.894 -8.702 -20.496 1.00 21.22 C ATOM 1272 OE1 GLU A 79 18.855 -9.925 -20.748 1.00 3.12 O ATOM 1273 OE2 GLU A 79 19.934 -8.017 -20.585 1.00 22.13 O ATOM 0 H GLU A 79 18.498 -9.910 -17.260 1.00 52.24 H new ATOM 0 HA GLU A 79 19.368 -7.481 -18.326 1.00 42.43 H new ATOM 0 HB2 GLU A 79 17.015 -9.187 -18.373 1.00 31.22 H new ATOM 0 HB3 GLU A 79 16.529 -7.505 -18.289 1.00 31.22 H new ATOM 0 HG2 GLU A 79 16.776 -8.432 -20.620 1.00 12.51 H new ATOM 0 HG3 GLU A 79 17.670 -6.957 -20.309 1.00 12.51 H new ATOM 1280 N THR A 80 17.748 -7.229 -15.500 1.00 51.14 N ATOM 1281 CA THR A 80 17.369 -6.311 -14.434 1.00 0.31 C ATOM 1282 C THR A 80 18.501 -5.341 -14.116 1.00 11.44 C ATOM 1283 O THR A 80 18.320 -4.124 -14.164 1.00 34.53 O ATOM 1284 CB THR A 80 16.982 -7.069 -13.150 1.00 62.44 C ATOM 1285 OG1 THR A 80 15.960 -8.030 -13.438 1.00 62.13 O ATOM 1286 CG2 THR A 80 16.493 -6.106 -12.079 1.00 72.42 C ATOM 0 H THR A 80 17.631 -8.215 -15.268 1.00 51.14 H new ATOM 0 HA THR A 80 16.504 -5.752 -14.791 1.00 0.31 H new ATOM 0 HB THR A 80 17.868 -7.582 -12.776 1.00 62.44 H new ATOM 0 HG1 THR A 80 16.291 -8.671 -14.101 1.00 62.13 H new ATOM 0 HG21 THR A 80 16.226 -6.665 -11.182 1.00 72.42 H new ATOM 0 HG22 THR A 80 17.284 -5.394 -11.841 1.00 72.42 H new ATOM 0 HG23 THR A 80 15.619 -5.568 -12.445 1.00 72.42 H new ATOM 1294 N GLU A 81 19.669 -5.887 -13.791 1.00 53.21 N ATOM 1295 CA GLU A 81 20.830 -5.068 -13.465 1.00 1.41 C ATOM 1296 C GLU A 81 21.132 -4.080 -14.588 1.00 50.22 C ATOM 1297 O GLU A 81 21.513 -2.937 -14.337 1.00 53.12 O ATOM 1298 CB GLU A 81 22.051 -5.953 -13.208 1.00 71.41 C ATOM 1299 CG GLU A 81 23.183 -5.237 -12.492 1.00 1.33 C ATOM 1300 CD GLU A 81 24.307 -6.173 -12.094 1.00 23.42 C ATOM 1301 OE1 GLU A 81 24.470 -7.219 -12.757 1.00 33.32 O ATOM 1302 OE2 GLU A 81 25.024 -5.861 -11.120 1.00 71.22 O ATOM 0 H GLU A 81 19.836 -6.892 -13.747 1.00 53.21 H new ATOM 0 HA GLU A 81 20.602 -4.505 -12.560 1.00 1.41 H new ATOM 0 HB2 GLU A 81 21.746 -6.815 -12.615 1.00 71.41 H new ATOM 0 HB3 GLU A 81 22.419 -6.335 -14.160 1.00 71.41 H new ATOM 0 HG2 GLU A 81 23.579 -4.454 -13.139 1.00 1.33 H new ATOM 0 HG3 GLU A 81 22.791 -4.746 -11.601 1.00 1.33 H new ATOM 1309 N GLU A 82 20.959 -4.530 -15.827 1.00 24.41 N ATOM 1310 CA GLU A 82 21.215 -3.687 -16.988 1.00 52.25 C ATOM 1311 C GLU A 82 20.313 -2.456 -16.976 1.00 10.23 C ATOM 1312 O GLU A 82 20.587 -1.466 -17.654 1.00 42.35 O ATOM 1313 CB GLU A 82 20.997 -4.479 -18.280 1.00 2.35 C ATOM 1314 CG GLU A 82 21.838 -3.985 -19.445 1.00 75.23 C ATOM 1315 CD GLU A 82 23.155 -4.725 -19.569 1.00 5.23 C ATOM 1316 OE1 GLU A 82 24.079 -4.429 -18.782 1.00 53.41 O ATOM 1317 OE2 GLU A 82 23.263 -5.601 -20.453 1.00 11.34 O ATOM 0 H GLU A 82 20.643 -5.473 -16.052 1.00 24.41 H new ATOM 0 HA GLU A 82 22.253 -3.357 -16.943 1.00 52.25 H new ATOM 0 HB2 GLU A 82 21.227 -5.529 -18.096 1.00 2.35 H new ATOM 0 HB3 GLU A 82 19.944 -4.427 -18.555 1.00 2.35 H new ATOM 0 HG2 GLU A 82 21.273 -4.099 -20.370 1.00 75.23 H new ATOM 0 HG3 GLU A 82 22.034 -2.920 -19.321 1.00 75.23 H new ATOM 1324 N ILE A 83 19.237 -2.526 -16.200 1.00 33.32 N ATOM 1325 CA ILE A 83 18.295 -1.418 -16.098 1.00 70.42 C ATOM 1326 C ILE A 83 18.920 -0.231 -15.374 1.00 53.42 C ATOM 1327 O ILE A 83 18.709 0.922 -15.752 1.00 45.53 O ATOM 1328 CB ILE A 83 17.010 -1.838 -15.359 1.00 42.44 C ATOM 1329 CG1 ILE A 83 16.378 -3.053 -16.040 1.00 61.41 C ATOM 1330 CG2 ILE A 83 16.025 -0.679 -15.311 1.00 62.21 C ATOM 1331 CD1 ILE A 83 15.165 -3.590 -15.313 1.00 22.31 C ATOM 0 H ILE A 83 18.996 -3.338 -15.632 1.00 33.32 H new ATOM 0 HA ILE A 83 18.039 -1.126 -17.116 1.00 70.42 H new ATOM 0 HB ILE A 83 17.269 -2.113 -14.336 1.00 42.44 H new ATOM 0 HG12 ILE A 83 16.092 -2.782 -17.056 1.00 61.41 H new ATOM 0 HG13 ILE A 83 17.124 -3.844 -16.119 1.00 61.41 H new ATOM 0 HG21 ILE A 83 15.122 -0.990 -14.786 1.00 62.21 H new ATOM 0 HG22 ILE A 83 16.478 0.162 -14.786 1.00 62.21 H new ATOM 0 HG23 ILE A 83 15.768 -0.377 -16.326 1.00 62.21 H new ATOM 0 HD11 ILE A 83 14.769 -4.451 -15.852 1.00 22.31 H new ATOM 0 HD12 ILE A 83 15.449 -3.893 -14.305 1.00 22.31 H new ATOM 0 HD13 ILE A 83 14.401 -2.814 -15.257 1.00 22.31 H new ATOM 1343 N THR A 84 19.691 -0.519 -14.331 1.00 24.51 N ATOM 1344 CA THR A 84 20.348 0.524 -13.554 1.00 1.03 C ATOM 1345 C THR A 84 21.111 1.485 -14.458 1.00 4.00 C ATOM 1346 O THR A 84 21.213 2.677 -14.168 1.00 20.12 O ATOM 1347 CB THR A 84 21.322 -0.074 -12.521 1.00 12.45 C ATOM 1348 OG1 THR A 84 21.621 0.897 -11.511 1.00 63.11 O ATOM 1349 CG2 THR A 84 22.609 -0.530 -13.191 1.00 1.53 C ATOM 0 H THR A 84 19.876 -1.467 -14.004 1.00 24.51 H new ATOM 0 HA THR A 84 19.563 1.069 -13.029 1.00 1.03 H new ATOM 0 HB THR A 84 20.844 -0.940 -12.062 1.00 12.45 H new ATOM 0 HG1 THR A 84 22.239 0.509 -10.857 1.00 63.11 H new ATOM 0 HG21 THR A 84 23.281 -0.949 -12.442 1.00 1.53 H new ATOM 0 HG22 THR A 84 22.381 -1.290 -13.938 1.00 1.53 H new ATOM 0 HG23 THR A 84 23.089 0.321 -13.674 1.00 1.53 H new ATOM 1357 N SER A 85 21.646 0.959 -15.555 1.00 50.24 N ATOM 1358 CA SER A 85 22.403 1.771 -16.501 1.00 62.32 C ATOM 1359 C SER A 85 21.483 2.722 -17.259 1.00 54.23 C ATOM 1360 O SER A 85 21.686 3.937 -17.254 1.00 53.11 O ATOM 1361 CB SER A 85 23.154 0.874 -17.488 1.00 53.52 C ATOM 1362 OG SER A 85 24.530 0.793 -17.159 1.00 14.41 O ATOM 0 H SER A 85 21.569 -0.025 -15.811 1.00 50.24 H new ATOM 0 HA SER A 85 23.124 2.364 -15.938 1.00 62.32 H new ATOM 0 HB2 SER A 85 22.716 -0.124 -17.482 1.00 53.52 H new ATOM 0 HB3 SER A 85 23.041 1.266 -18.499 1.00 53.52 H new ATOM 0 HG SER A 85 24.987 0.213 -17.803 1.00 14.41 H new ATOM 1368 N LEU A 86 20.470 2.161 -17.911 1.00 12.52 N ATOM 1369 CA LEU A 86 19.516 2.959 -18.675 1.00 23.44 C ATOM 1370 C LEU A 86 18.896 4.047 -17.804 1.00 73.33 C ATOM 1371 O LEU A 86 18.467 5.086 -18.305 1.00 41.40 O ATOM 1372 CB LEU A 86 18.419 2.063 -19.251 1.00 34.41 C ATOM 1373 CG LEU A 86 18.887 0.760 -19.901 1.00 4.41 C ATOM 1374 CD1 LEU A 86 17.719 0.039 -20.554 1.00 32.44 C ATOM 1375 CD2 LEU A 86 19.982 1.037 -20.921 1.00 4.34 C ATOM 0 H LEU A 86 20.288 1.157 -17.926 1.00 12.52 H new ATOM 0 HA LEU A 86 20.053 3.438 -19.494 1.00 23.44 H new ATOM 0 HB2 LEU A 86 17.722 1.816 -18.450 1.00 34.41 H new ATOM 0 HB3 LEU A 86 17.862 2.636 -19.993 1.00 34.41 H new ATOM 0 HG LEU A 86 19.296 0.115 -19.123 1.00 4.41 H new ATOM 0 HD11 LEU A 86 18.072 -0.886 -21.011 1.00 32.44 H new ATOM 0 HD12 LEU A 86 16.967 -0.193 -19.800 1.00 32.44 H new ATOM 0 HD13 LEU A 86 17.280 0.678 -21.320 1.00 32.44 H new ATOM 0 HD21 LEU A 86 20.303 0.099 -21.374 1.00 4.34 H new ATOM 0 HD22 LEU A 86 19.598 1.701 -21.696 1.00 4.34 H new ATOM 0 HD23 LEU A 86 20.830 1.510 -20.425 1.00 4.34 H new ATOM 1387 N TRP A 87 18.853 3.801 -16.500 1.00 21.20 N ATOM 1388 CA TRP A 87 18.287 4.761 -15.559 1.00 52.14 C ATOM 1389 C TRP A 87 18.905 6.141 -15.752 1.00 5.20 C ATOM 1390 O TRP A 87 18.195 7.144 -15.826 1.00 65.33 O ATOM 1391 CB TRP A 87 18.505 4.287 -14.122 1.00 34.04 C ATOM 1392 CG TRP A 87 17.492 4.827 -13.158 1.00 54.22 C ATOM 1393 CD1 TRP A 87 16.163 5.033 -13.396 1.00 35.41 C ATOM 1394 CD2 TRP A 87 17.727 5.232 -11.805 1.00 55.32 C ATOM 1395 NE1 TRP A 87 15.557 5.541 -12.272 1.00 41.11 N ATOM 1396 CE2 TRP A 87 16.495 5.672 -11.282 1.00 53.12 C ATOM 1397 CE3 TRP A 87 18.857 5.265 -10.984 1.00 72.51 C ATOM 1398 CZ2 TRP A 87 16.365 6.139 -9.977 1.00 33.42 C ATOM 1399 CZ3 TRP A 87 18.726 5.728 -9.689 1.00 1.11 C ATOM 1400 CH2 TRP A 87 17.488 6.159 -9.195 1.00 53.31 C ATOM 0 H TRP A 87 19.203 2.945 -16.070 1.00 21.20 H new ATOM 0 HA TRP A 87 17.217 4.833 -15.751 1.00 52.14 H new ATOM 0 HB2 TRP A 87 18.474 3.198 -14.098 1.00 34.04 H new ATOM 0 HB3 TRP A 87 19.501 4.585 -13.796 1.00 34.04 H new ATOM 0 HD1 TRP A 87 15.662 4.827 -14.330 1.00 35.41 H new ATOM 0 HE1 TRP A 87 14.569 5.781 -12.188 1.00 41.11 H new ATOM 0 HE3 TRP A 87 19.816 4.934 -11.355 1.00 72.51 H new ATOM 0 HZ2 TRP A 87 15.412 6.474 -9.595 1.00 33.42 H new ATOM 0 HZ3 TRP A 87 19.593 5.758 -9.046 1.00 1.11 H new ATOM 0 HH2 TRP A 87 17.418 6.514 -8.177 1.00 53.31 H new ATOM 1411 N GLN A 88 20.231 6.185 -15.832 1.00 64.21 N ATOM 1412 CA GLN A 88 20.944 7.443 -16.016 1.00 2.54 C ATOM 1413 C GLN A 88 20.381 8.220 -17.201 1.00 51.20 C ATOM 1414 O GLN A 88 20.295 9.447 -17.168 1.00 2.00 O ATOM 1415 CB GLN A 88 22.437 7.183 -16.224 1.00 70.14 C ATOM 1416 CG GLN A 88 23.330 7.973 -15.281 1.00 62.43 C ATOM 1417 CD GLN A 88 24.794 7.603 -15.418 1.00 2.40 C ATOM 1418 OE1 GLN A 88 25.151 6.701 -16.176 1.00 54.13 O ATOM 1419 NE2 GLN A 88 25.652 8.301 -14.683 1.00 1.03 N ATOM 0 H GLN A 88 20.833 5.364 -15.772 1.00 64.21 H new ATOM 0 HA GLN A 88 20.809 8.042 -15.115 1.00 2.54 H new ATOM 0 HB2 GLN A 88 22.634 6.119 -16.091 1.00 70.14 H new ATOM 0 HB3 GLN A 88 22.700 7.430 -17.252 1.00 70.14 H new ATOM 0 HG2 GLN A 88 23.208 9.038 -15.478 1.00 62.43 H new ATOM 0 HG3 GLN A 88 23.010 7.800 -14.253 1.00 62.43 H new ATOM 0 HE21 GLN A 88 25.313 9.040 -14.068 1.00 1.03 H new ATOM 0 HE22 GLN A 88 26.650 8.098 -14.734 1.00 1.03 H new ATOM 1428 N GLY A 89 19.998 7.496 -18.249 1.00 1.43 N ATOM 1429 CA GLY A 89 19.448 8.135 -19.430 1.00 63.23 C ATOM 1430 C GLY A 89 18.229 8.979 -19.119 1.00 12.54 C ATOM 1431 O GLY A 89 18.125 10.121 -19.568 1.00 33.13 O ATOM 0 H GLY A 89 20.059 6.479 -18.301 1.00 1.43 H new ATOM 0 HA2 GLY A 89 20.212 8.762 -19.889 1.00 63.23 H new ATOM 0 HA3 GLY A 89 19.181 7.372 -20.161 1.00 63.23 H new ATOM 1435 N SER A 90 17.303 8.417 -18.349 1.00 14.55 N ATOM 1436 CA SER A 90 16.081 9.125 -17.982 1.00 23.22 C ATOM 1437 C SER A 90 16.405 10.439 -17.278 1.00 43.22 C ATOM 1438 O SER A 90 15.645 11.405 -17.361 1.00 3.11 O ATOM 1439 CB SER A 90 15.212 8.250 -17.077 1.00 20.50 C ATOM 1440 OG SER A 90 14.420 9.042 -16.209 1.00 61.11 O ATOM 0 H SER A 90 17.375 7.474 -17.967 1.00 14.55 H new ATOM 0 HA SER A 90 15.531 9.348 -18.896 1.00 23.22 H new ATOM 0 HB2 SER A 90 14.567 7.618 -17.688 1.00 20.50 H new ATOM 0 HB3 SER A 90 15.846 7.586 -16.490 1.00 20.50 H new ATOM 0 HG SER A 90 13.510 9.110 -16.567 1.00 61.11 H new ATOM 1446 N LEU A 91 17.538 10.468 -16.586 1.00 5.44 N ATOM 1447 CA LEU A 91 17.965 11.664 -15.866 1.00 61.24 C ATOM 1448 C LEU A 91 17.917 12.890 -16.772 1.00 12.31 C ATOM 1449 O LEU A 91 17.396 13.938 -16.388 1.00 73.14 O ATOM 1450 CB LEU A 91 19.381 11.475 -15.319 1.00 11.42 C ATOM 1451 CG LEU A 91 19.844 12.505 -14.288 1.00 4.20 C ATOM 1452 CD1 LEU A 91 20.980 11.944 -13.446 1.00 41.34 C ATOM 1453 CD2 LEU A 91 20.274 13.793 -14.976 1.00 73.22 C ATOM 0 H LEU A 91 18.178 9.678 -16.508 1.00 5.44 H new ATOM 0 HA LEU A 91 17.279 11.822 -15.034 1.00 61.24 H new ATOM 0 HB2 LEU A 91 19.446 10.485 -14.868 1.00 11.42 H new ATOM 0 HB3 LEU A 91 20.078 11.490 -16.157 1.00 11.42 H new ATOM 0 HG LEU A 91 19.007 12.731 -13.628 1.00 4.20 H new ATOM 0 HD11 LEU A 91 21.296 12.691 -12.718 1.00 41.34 H new ATOM 0 HD12 LEU A 91 20.639 11.050 -12.924 1.00 41.34 H new ATOM 0 HD13 LEU A 91 21.820 11.688 -14.092 1.00 41.34 H new ATOM 0 HD21 LEU A 91 20.600 14.514 -14.227 1.00 73.22 H new ATOM 0 HD22 LEU A 91 21.096 13.583 -15.660 1.00 73.22 H new ATOM 0 HD23 LEU A 91 19.434 14.205 -15.535 1.00 73.22 H new ATOM 1465 N PHE A 92 18.462 12.752 -17.976 1.00 54.21 N ATOM 1466 CA PHE A 92 18.480 13.849 -18.937 1.00 73.33 C ATOM 1467 C PHE A 92 17.075 14.137 -19.460 1.00 64.22 C ATOM 1468 O PHE A 92 16.750 15.272 -19.804 1.00 5.43 O ATOM 1469 CB PHE A 92 19.412 13.517 -20.104 1.00 24.10 C ATOM 1470 CG PHE A 92 19.549 14.634 -21.098 1.00 45.33 C ATOM 1471 CD1 PHE A 92 18.599 14.817 -22.090 1.00 43.30 C ATOM 1472 CD2 PHE A 92 20.628 15.502 -21.041 1.00 21.01 C ATOM 1473 CE1 PHE A 92 18.724 15.844 -23.007 1.00 14.24 C ATOM 1474 CE2 PHE A 92 20.758 16.531 -21.955 1.00 14.14 C ATOM 1475 CZ PHE A 92 19.803 16.703 -22.938 1.00 63.11 C ATOM 0 H PHE A 92 18.897 11.892 -18.310 1.00 54.21 H new ATOM 0 HA PHE A 92 18.849 14.739 -18.428 1.00 73.33 H new ATOM 0 HB2 PHE A 92 20.398 13.268 -19.712 1.00 24.10 H new ATOM 0 HB3 PHE A 92 19.039 12.630 -20.616 1.00 24.10 H new ATOM 0 HD1 PHE A 92 17.752 14.150 -22.147 1.00 43.30 H new ATOM 0 HD2 PHE A 92 21.376 15.373 -20.273 1.00 21.01 H new ATOM 0 HE1 PHE A 92 17.978 15.974 -23.777 1.00 14.24 H new ATOM 0 HE2 PHE A 92 21.605 17.199 -21.901 1.00 14.14 H new ATOM 0 HZ PHE A 92 19.900 17.508 -23.651 1.00 63.11 H new ATOM 1485 N ASN A 93 16.247 13.099 -19.518 1.00 23.33 N ATOM 1486 CA ASN A 93 14.878 13.239 -20.000 1.00 1.14 C ATOM 1487 C ASN A 93 14.055 14.107 -19.053 1.00 55.32 C ATOM 1488 O ASN A 93 13.536 15.152 -19.446 1.00 34.31 O ATOM 1489 CB ASN A 93 14.224 11.864 -20.148 1.00 31.15 C ATOM 1490 CG ASN A 93 12.767 11.958 -20.558 1.00 61.15 C ATOM 1491 OD1 ASN A 93 11.929 12.452 -19.805 1.00 13.42 O ATOM 1492 ND2 ASN A 93 12.459 11.482 -21.759 1.00 65.34 N ATOM 0 H ASN A 93 16.500 12.152 -19.237 1.00 23.33 H new ATOM 0 HA ASN A 93 14.910 13.725 -20.975 1.00 1.14 H new ATOM 0 HB2 ASN A 93 14.771 11.283 -20.890 1.00 31.15 H new ATOM 0 HB3 ASN A 93 14.299 11.326 -19.203 1.00 31.15 H new ATOM 0 HD21 ASN A 93 11.495 11.518 -22.090 1.00 65.34 H new ATOM 0 HD22 ASN A 93 13.187 11.081 -22.351 1.00 65.34 H new ATOM 1499 N ALA A 94 13.940 13.667 -17.804 1.00 50.43 N ATOM 1500 CA ALA A 94 13.182 14.405 -16.801 1.00 64.01 C ATOM 1501 C ALA A 94 13.882 14.366 -15.447 1.00 11.14 C ATOM 1502 O ALA A 94 14.502 15.343 -15.029 1.00 53.45 O ATOM 1503 CB ALA A 94 11.773 13.843 -16.686 1.00 10.43 C ATOM 0 H ALA A 94 14.362 12.803 -17.463 1.00 50.43 H new ATOM 0 HA ALA A 94 13.121 15.446 -17.119 1.00 64.01 H new ATOM 0 HB1 ALA A 94 11.218 14.403 -15.934 1.00 10.43 H new ATOM 0 HB2 ALA A 94 11.268 13.928 -17.648 1.00 10.43 H new ATOM 0 HB3 ALA A 94 11.822 12.794 -16.394 1.00 10.43 H new ATOM 1509 N ASN A 95 13.777 13.230 -14.764 1.00 41.41 N ATOM 1510 CA ASN A 95 14.399 13.065 -13.455 1.00 41.14 C ATOM 1511 C ASN A 95 14.128 11.672 -12.896 1.00 73.33 C ATOM 1512 O ASN A 95 13.536 11.525 -11.827 1.00 12.14 O ATOM 1513 CB ASN A 95 13.881 14.127 -12.483 1.00 75.24 C ATOM 1514 CG ASN A 95 12.371 14.262 -12.527 1.00 13.40 C ATOM 1515 OD1 ASN A 95 11.667 13.355 -12.971 1.00 64.12 O ATOM 1516 ND2 ASN A 95 11.865 15.400 -12.065 1.00 5.22 N ATOM 0 H ASN A 95 13.267 12.411 -15.095 1.00 41.41 H new ATOM 0 HA ASN A 95 15.476 13.186 -13.574 1.00 41.14 H new ATOM 0 HB2 ASN A 95 14.191 13.871 -11.470 1.00 75.24 H new ATOM 0 HB3 ASN A 95 14.336 15.088 -12.722 1.00 75.24 H new ATOM 0 HD21 ASN A 95 10.856 15.548 -12.069 1.00 5.22 H new ATOM 0 HD22 ASN A 95 12.486 16.125 -11.706 1.00 5.22 H new ATOM 1523 N TYR A 96 14.565 10.652 -13.627 1.00 31.15 N ATOM 1524 CA TYR A 96 14.368 9.270 -13.205 1.00 51.10 C ATOM 1525 C TYR A 96 12.884 8.961 -13.028 1.00 65.43 C ATOM 1526 O TYR A 96 12.300 9.245 -11.983 1.00 13.40 O ATOM 1527 CB TYR A 96 15.115 9.002 -11.898 1.00 5.13 C ATOM 1528 CG TYR A 96 16.620 9.067 -12.036 1.00 72.12 C ATOM 1529 CD1 TYR A 96 17.286 8.275 -12.963 1.00 63.03 C ATOM 1530 CD2 TYR A 96 17.375 9.919 -11.240 1.00 34.14 C ATOM 1531 CE1 TYR A 96 18.661 8.330 -13.093 1.00 14.10 C ATOM 1532 CE2 TYR A 96 18.749 9.982 -11.363 1.00 70.34 C ATOM 1533 CZ TYR A 96 19.387 9.185 -12.291 1.00 44.32 C ATOM 1534 OH TYR A 96 20.756 9.244 -12.417 1.00 25.04 O ATOM 0 H TYR A 96 15.058 10.756 -14.514 1.00 31.15 H new ATOM 0 HA TYR A 96 14.766 8.619 -13.983 1.00 51.10 H new ATOM 0 HB2 TYR A 96 14.795 9.729 -11.151 1.00 5.13 H new ATOM 0 HB3 TYR A 96 14.835 8.017 -11.525 1.00 5.13 H new ATOM 0 HD1 TYR A 96 16.720 7.605 -13.593 1.00 63.03 H new ATOM 0 HD2 TYR A 96 16.879 10.543 -10.512 1.00 34.14 H new ATOM 0 HE1 TYR A 96 19.164 7.707 -13.818 1.00 14.10 H new ATOM 0 HE2 TYR A 96 19.321 10.651 -10.737 1.00 70.34 H new ATOM 0 HH TYR A 96 21.138 9.688 -11.631 1.00 25.04 H new ATOM 1544 N ASP A 97 12.282 8.375 -14.058 1.00 4.33 N ATOM 1545 CA ASP A 97 10.868 8.025 -14.017 1.00 75.44 C ATOM 1546 C ASP A 97 10.685 6.512 -13.943 1.00 35.10 C ATOM 1547 O ASP A 97 10.398 5.861 -14.947 1.00 74.44 O ATOM 1548 CB ASP A 97 10.148 8.578 -15.248 1.00 72.13 C ATOM 1549 CG ASP A 97 9.417 9.874 -14.958 1.00 1.12 C ATOM 1550 OD1 ASP A 97 8.255 9.812 -14.504 1.00 21.21 O ATOM 1551 OD2 ASP A 97 10.008 10.951 -15.184 1.00 35.15 O ATOM 0 H ASP A 97 12.752 8.133 -14.931 1.00 4.33 H new ATOM 0 HA ASP A 97 10.435 8.470 -13.121 1.00 75.44 H new ATOM 0 HB2 ASP A 97 10.873 8.744 -16.045 1.00 72.13 H new ATOM 0 HB3 ASP A 97 9.437 7.837 -15.613 1.00 72.13 H new ATOM 1556 N VAL A 98 10.854 5.959 -12.746 1.00 75.42 N ATOM 1557 CA VAL A 98 10.707 4.523 -12.540 1.00 61.32 C ATOM 1558 C VAL A 98 9.803 4.228 -11.348 1.00 64.23 C ATOM 1559 O VAL A 98 9.807 4.960 -10.359 1.00 72.30 O ATOM 1560 CB VAL A 98 12.072 3.846 -12.315 1.00 62.13 C ATOM 1561 CG1 VAL A 98 12.755 4.417 -11.081 1.00 74.44 C ATOM 1562 CG2 VAL A 98 11.906 2.339 -12.193 1.00 74.34 C ATOM 0 H VAL A 98 11.093 6.484 -11.904 1.00 75.42 H new ATOM 0 HA VAL A 98 10.254 4.118 -13.445 1.00 61.32 H new ATOM 0 HB VAL A 98 12.705 4.050 -13.178 1.00 62.13 H new ATOM 0 HG11 VAL A 98 13.718 3.926 -10.938 1.00 74.44 H new ATOM 0 HG12 VAL A 98 12.909 5.488 -11.213 1.00 74.44 H new ATOM 0 HG13 VAL A 98 12.128 4.246 -10.206 1.00 74.44 H new ATOM 0 HG21 VAL A 98 12.881 1.877 -12.034 1.00 74.34 H new ATOM 0 HG22 VAL A 98 11.255 2.112 -11.349 1.00 74.34 H new ATOM 0 HG23 VAL A 98 11.463 1.946 -13.108 1.00 74.34 H new ATOM 1572 N GLN A 99 9.031 3.151 -11.450 1.00 62.14 N ATOM 1573 CA GLN A 99 8.122 2.759 -10.380 1.00 12.40 C ATOM 1574 C GLN A 99 8.132 1.247 -10.182 1.00 45.14 C ATOM 1575 O GLN A 99 8.269 0.487 -11.141 1.00 51.12 O ATOM 1576 CB GLN A 99 6.701 3.235 -10.689 1.00 43.14 C ATOM 1577 CG GLN A 99 5.654 2.683 -9.737 1.00 35.43 C ATOM 1578 CD GLN A 99 5.010 1.410 -10.251 1.00 25.32 C ATOM 1579 OE1 GLN A 99 5.276 0.319 -9.746 1.00 20.51 O ATOM 1580 NE2 GLN A 99 4.159 1.543 -11.261 1.00 33.32 N ATOM 0 H GLN A 99 9.017 2.535 -12.263 1.00 62.14 H new ATOM 0 HA GLN A 99 8.463 3.230 -9.458 1.00 12.40 H new ATOM 0 HB2 GLN A 99 6.676 4.324 -10.652 1.00 43.14 H new ATOM 0 HB3 GLN A 99 6.443 2.945 -11.707 1.00 43.14 H new ATOM 0 HG2 GLN A 99 6.116 2.487 -8.769 1.00 35.43 H new ATOM 0 HG3 GLN A 99 4.883 3.436 -9.575 1.00 35.43 H new ATOM 0 HE21 GLN A 99 3.968 2.467 -11.649 1.00 33.32 H new ATOM 0 HE22 GLN A 99 3.696 0.721 -11.649 1.00 33.32 H new ATOM 1589 N ARG A 100 7.988 0.818 -8.933 1.00 62.40 N ATOM 1590 CA ARG A 100 7.983 -0.604 -8.610 1.00 31.12 C ATOM 1591 C ARG A 100 6.782 -0.959 -7.738 1.00 52.01 C ATOM 1592 O ARG A 100 6.476 -0.261 -6.771 1.00 34.41 O ATOM 1593 CB ARG A 100 9.278 -0.991 -7.894 1.00 3.23 C ATOM 1594 CG ARG A 100 9.339 -2.456 -7.494 1.00 64.14 C ATOM 1595 CD ARG A 100 9.773 -2.621 -6.046 1.00 72.22 C ATOM 1596 NE ARG A 100 8.808 -2.040 -5.116 1.00 70.25 N ATOM 1597 CZ ARG A 100 9.015 -1.944 -3.808 1.00 13.41 C ATOM 1598 NH1 ARG A 100 10.146 -2.387 -3.278 1.00 2.13 N ATOM 1599 NH2 ARG A 100 8.089 -1.402 -3.027 1.00 33.22 N ATOM 0 H ARG A 100 7.873 1.434 -8.128 1.00 62.40 H new ATOM 0 HA ARG A 100 7.911 -1.162 -9.543 1.00 31.12 H new ATOM 0 HB2 ARG A 100 10.124 -0.765 -8.544 1.00 3.23 H new ATOM 0 HB3 ARG A 100 9.388 -0.375 -7.002 1.00 3.23 H new ATOM 0 HG2 ARG A 100 8.360 -2.914 -7.636 1.00 64.14 H new ATOM 0 HG3 ARG A 100 10.035 -2.984 -8.146 1.00 64.14 H new ATOM 0 HD2 ARG A 100 9.898 -3.681 -5.824 1.00 72.22 H new ATOM 0 HD3 ARG A 100 10.745 -2.148 -5.903 1.00 72.22 H new ATOM 0 HE ARG A 100 7.927 -1.689 -5.492 1.00 70.25 H new ATOM 0 HH11 ARG A 100 10.860 -2.803 -3.875 1.00 2.13 H new ATOM 0 HH12 ARG A 100 10.302 -2.312 -2.273 1.00 2.13 H new ATOM 0 HH21 ARG A 100 7.218 -1.059 -3.431 1.00 33.22 H new ATOM 0 HH22 ARG A 100 8.249 -1.329 -2.022 1.00 33.22 H new ATOM 1613 N PHE A 101 6.105 -2.048 -8.088 1.00 13.33 N ATOM 1614 CA PHE A 101 4.936 -2.495 -7.339 1.00 1.45 C ATOM 1615 C PHE A 101 4.790 -4.012 -7.412 1.00 43.35 C ATOM 1616 O PHE A 101 4.978 -4.613 -8.471 1.00 3.05 O ATOM 1617 CB PHE A 101 3.671 -1.822 -7.877 1.00 23.53 C ATOM 1618 CG PHE A 101 2.538 -1.801 -6.891 1.00 2.11 C ATOM 1619 CD1 PHE A 101 2.731 -1.325 -5.604 1.00 51.21 C ATOM 1620 CD2 PHE A 101 1.280 -2.257 -7.251 1.00 65.41 C ATOM 1621 CE1 PHE A 101 1.690 -1.303 -4.695 1.00 22.24 C ATOM 1622 CE2 PHE A 101 0.236 -2.238 -6.346 1.00 41.21 C ATOM 1623 CZ PHE A 101 0.441 -1.761 -5.066 1.00 65.40 C ATOM 0 H PHE A 101 6.346 -2.637 -8.885 1.00 13.33 H new ATOM 0 HA PHE A 101 5.074 -2.211 -6.296 1.00 1.45 H new ATOM 0 HB2 PHE A 101 3.909 -0.799 -8.167 1.00 23.53 H new ATOM 0 HB3 PHE A 101 3.348 -2.342 -8.779 1.00 23.53 H new ATOM 0 HD1 PHE A 101 3.706 -0.967 -5.308 1.00 51.21 H new ATOM 0 HD2 PHE A 101 1.114 -2.631 -8.250 1.00 65.41 H new ATOM 0 HE1 PHE A 101 1.853 -0.928 -3.695 1.00 22.24 H new ATOM 0 HE2 PHE A 101 -0.740 -2.596 -6.639 1.00 41.21 H new ATOM 0 HZ PHE A 101 -0.374 -1.746 -4.357 1.00 65.40 H new ATOM 1633 N ILE A 102 4.455 -4.624 -6.282 1.00 13.52 N ATOM 1634 CA ILE A 102 4.283 -6.070 -6.218 1.00 42.41 C ATOM 1635 C ILE A 102 2.991 -6.439 -5.497 1.00 4.43 C ATOM 1636 O ILE A 102 2.649 -5.848 -4.472 1.00 50.13 O ATOM 1637 CB ILE A 102 5.468 -6.746 -5.504 1.00 21.22 C ATOM 1638 CG1 ILE A 102 6.792 -6.283 -6.115 1.00 61.00 C ATOM 1639 CG2 ILE A 102 5.341 -8.260 -5.586 1.00 24.03 C ATOM 1640 CD1 ILE A 102 7.614 -5.415 -5.188 1.00 65.05 C ATOM 0 H ILE A 102 4.297 -4.141 -5.398 1.00 13.52 H new ATOM 0 HA ILE A 102 4.237 -6.428 -7.246 1.00 42.41 H new ATOM 0 HB ILE A 102 5.454 -6.456 -4.453 1.00 21.22 H new ATOM 0 HG12 ILE A 102 7.379 -7.158 -6.396 1.00 61.00 H new ATOM 0 HG13 ILE A 102 6.586 -5.729 -7.031 1.00 61.00 H new ATOM 0 HG21 ILE A 102 6.186 -8.724 -5.077 1.00 24.03 H new ATOM 0 HG22 ILE A 102 4.413 -8.574 -5.108 1.00 24.03 H new ATOM 0 HG23 ILE A 102 5.333 -8.568 -6.631 1.00 24.03 H new ATOM 0 HD11 ILE A 102 8.538 -5.124 -5.687 1.00 65.05 H new ATOM 0 HD12 ILE A 102 7.046 -4.522 -4.926 1.00 65.05 H new ATOM 0 HD13 ILE A 102 7.851 -5.973 -4.282 1.00 65.05 H new ATOM 1652 N VAL A 103 2.278 -7.421 -6.037 1.00 71.35 N ATOM 1653 CA VAL A 103 1.025 -7.872 -5.444 1.00 72.22 C ATOM 1654 C VAL A 103 0.784 -9.351 -5.726 1.00 22.13 C ATOM 1655 O VAL A 103 0.736 -9.774 -6.880 1.00 31.21 O ATOM 1656 CB VAL A 103 -0.171 -7.059 -5.973 1.00 54.14 C ATOM 1657 CG1 VAL A 103 -1.472 -7.566 -5.368 1.00 5.52 C ATOM 1658 CG2 VAL A 103 0.021 -5.578 -5.682 1.00 32.32 C ATOM 0 H VAL A 103 2.547 -7.920 -6.885 1.00 71.35 H new ATOM 0 HA VAL A 103 1.111 -7.719 -4.368 1.00 72.22 H new ATOM 0 HB VAL A 103 -0.227 -7.189 -7.054 1.00 54.14 H new ATOM 0 HG11 VAL A 103 -2.306 -6.979 -5.754 1.00 5.52 H new ATOM 0 HG12 VAL A 103 -1.612 -8.614 -5.633 1.00 5.52 H new ATOM 0 HG13 VAL A 103 -1.431 -7.469 -4.283 1.00 5.52 H new ATOM 0 HG21 VAL A 103 -0.834 -5.019 -6.063 1.00 32.32 H new ATOM 0 HG22 VAL A 103 0.104 -5.426 -4.606 1.00 32.32 H new ATOM 0 HG23 VAL A 103 0.931 -5.227 -6.169 1.00 32.32 H new ATOM 1668 N GLY A 104 0.633 -10.134 -4.661 1.00 41.25 N ATOM 1669 CA GLY A 104 0.399 -11.558 -4.815 1.00 52.31 C ATOM 1670 C GLY A 104 1.640 -12.305 -5.260 1.00 4.12 C ATOM 1671 O GLY A 104 2.757 -11.940 -4.893 1.00 44.14 O ATOM 0 H GLY A 104 0.669 -9.807 -3.695 1.00 41.25 H new ATOM 0 HA2 GLY A 104 0.051 -11.970 -3.868 1.00 52.31 H new ATOM 0 HA3 GLY A 104 -0.397 -11.716 -5.543 1.00 52.31 H new ATOM 1675 N SER A 105 1.446 -13.355 -6.051 1.00 34.33 N ATOM 1676 CA SER A 105 2.559 -14.160 -6.541 1.00 54.44 C ATOM 1677 C SER A 105 3.132 -13.567 -7.825 1.00 63.30 C ATOM 1678 O SER A 105 4.032 -14.142 -8.439 1.00 55.11 O ATOM 1679 CB SER A 105 2.105 -15.599 -6.789 1.00 33.50 C ATOM 1680 OG SER A 105 2.215 -16.379 -5.611 1.00 3.24 O ATOM 0 H SER A 105 0.528 -13.669 -6.367 1.00 34.33 H new ATOM 0 HA SER A 105 3.339 -14.159 -5.780 1.00 54.44 H new ATOM 0 HB2 SER A 105 1.072 -15.603 -7.136 1.00 33.50 H new ATOM 0 HB3 SER A 105 2.709 -16.043 -7.580 1.00 33.50 H new ATOM 0 HG SER A 105 1.917 -17.294 -5.796 1.00 3.24 H new ATOM 1686 N ASP A 106 2.606 -12.415 -8.224 1.00 74.13 N ATOM 1687 CA ASP A 106 3.065 -11.743 -9.434 1.00 51.12 C ATOM 1688 C ASP A 106 3.505 -10.315 -9.129 1.00 11.54 C ATOM 1689 O ASP A 106 2.927 -9.647 -8.271 1.00 3.24 O ATOM 1690 CB ASP A 106 1.958 -11.734 -10.490 1.00 0.02 C ATOM 1691 CG ASP A 106 0.651 -11.183 -9.954 1.00 3.11 C ATOM 1692 OD1 ASP A 106 0.576 -9.959 -9.720 1.00 13.30 O ATOM 1693 OD2 ASP A 106 -0.295 -11.976 -9.767 1.00 55.15 O ATOM 0 H ASP A 106 1.861 -11.926 -7.727 1.00 74.13 H new ATOM 0 HA ASP A 106 3.922 -12.293 -9.822 1.00 51.12 H new ATOM 0 HB2 ASP A 106 2.278 -11.136 -11.343 1.00 0.02 H new ATOM 0 HB3 ASP A 106 1.799 -12.749 -10.854 1.00 0.02 H new ATOM 1698 N ARG A 107 4.531 -9.853 -9.836 1.00 2.15 N ATOM 1699 CA ARG A 107 5.050 -8.505 -9.638 1.00 41.21 C ATOM 1700 C ARG A 107 5.064 -7.730 -10.952 1.00 52.34 C ATOM 1701 O ARG A 107 5.290 -8.301 -12.019 1.00 12.42 O ATOM 1702 CB ARG A 107 6.462 -8.560 -9.051 1.00 51.34 C ATOM 1703 CG ARG A 107 7.505 -9.087 -10.023 1.00 20.53 C ATOM 1704 CD ARG A 107 8.913 -8.918 -9.474 1.00 22.30 C ATOM 1705 NE ARG A 107 9.176 -7.544 -9.055 1.00 31.21 N ATOM 1706 CZ ARG A 107 9.320 -6.532 -9.903 1.00 21.01 C ATOM 1707 NH1 ARG A 107 9.227 -6.739 -11.209 1.00 42.02 N ATOM 1708 NH2 ARG A 107 9.557 -5.310 -9.445 1.00 4.43 N ATOM 0 H ARG A 107 5.019 -10.392 -10.551 1.00 2.15 H new ATOM 0 HA ARG A 107 4.393 -7.989 -8.938 1.00 41.21 H new ATOM 0 HB2 ARG A 107 6.751 -7.560 -8.728 1.00 51.34 H new ATOM 0 HB3 ARG A 107 6.453 -9.192 -8.163 1.00 51.34 H new ATOM 0 HG2 ARG A 107 7.316 -10.141 -10.225 1.00 20.53 H new ATOM 0 HG3 ARG A 107 7.418 -8.560 -10.973 1.00 20.53 H new ATOM 0 HD2 ARG A 107 9.055 -9.589 -8.627 1.00 22.30 H new ATOM 0 HD3 ARG A 107 9.636 -9.209 -10.235 1.00 22.30 H new ATOM 0 HE ARG A 107 9.253 -7.351 -8.056 1.00 31.21 H new ATOM 0 HH11 ARG A 107 9.044 -7.677 -11.565 1.00 42.02 H new ATOM 0 HH12 ARG A 107 9.338 -5.960 -11.858 1.00 42.02 H new ATOM 0 HH21 ARG A 107 9.629 -5.147 -8.441 1.00 4.43 H new ATOM 0 HH22 ARG A 107 9.667 -4.533 -10.097 1.00 4.43 H new ATOM 1722 N ALA A 108 4.820 -6.426 -10.867 1.00 73.00 N ATOM 1723 CA ALA A 108 4.805 -5.573 -12.049 1.00 4.44 C ATOM 1724 C ALA A 108 5.740 -4.380 -11.876 1.00 21.22 C ATOM 1725 O ALA A 108 5.842 -3.812 -10.788 1.00 61.20 O ATOM 1726 CB ALA A 108 3.389 -5.098 -12.340 1.00 4.14 C ATOM 0 H ALA A 108 4.630 -5.938 -9.992 1.00 73.00 H new ATOM 0 HA ALA A 108 5.160 -6.161 -12.895 1.00 4.44 H new ATOM 0 HB1 ALA A 108 3.393 -4.462 -13.225 1.00 4.14 H new ATOM 0 HB2 ALA A 108 2.745 -5.960 -12.515 1.00 4.14 H new ATOM 0 HB3 ALA A 108 3.013 -4.531 -11.488 1.00 4.14 H new ATOM 1732 N ILE A 109 6.421 -4.007 -12.954 1.00 55.32 N ATOM 1733 CA ILE A 109 7.346 -2.881 -12.921 1.00 24.41 C ATOM 1734 C ILE A 109 7.122 -1.950 -14.107 1.00 42.30 C ATOM 1735 O ILE A 109 6.792 -2.395 -15.206 1.00 52.03 O ATOM 1736 CB ILE A 109 8.811 -3.357 -12.926 1.00 62.30 C ATOM 1737 CG1 ILE A 109 9.753 -2.182 -12.654 1.00 71.40 C ATOM 1738 CG2 ILE A 109 9.149 -4.017 -14.255 1.00 31.35 C ATOM 1739 CD1 ILE A 109 11.117 -2.605 -12.156 1.00 4.50 C ATOM 0 H ILE A 109 6.350 -4.468 -13.861 1.00 55.32 H new ATOM 0 HA ILE A 109 7.151 -2.339 -11.996 1.00 24.41 H new ATOM 0 HB ILE A 109 8.941 -4.094 -12.133 1.00 62.30 H new ATOM 0 HG12 ILE A 109 9.873 -1.603 -13.570 1.00 71.40 H new ATOM 0 HG13 ILE A 109 9.295 -1.522 -11.917 1.00 71.40 H new ATOM 0 HG21 ILE A 109 10.187 -4.348 -14.243 1.00 31.35 H new ATOM 0 HG22 ILE A 109 8.496 -4.876 -14.411 1.00 31.35 H new ATOM 0 HG23 ILE A 109 9.006 -3.301 -15.064 1.00 31.35 H new ATOM 0 HD11 ILE A 109 11.732 -1.721 -11.984 1.00 4.50 H new ATOM 0 HD12 ILE A 109 11.008 -3.158 -11.223 1.00 4.50 H new ATOM 0 HD13 ILE A 109 11.595 -3.241 -12.901 1.00 4.50 H new ATOM 1751 N PHE A 110 7.306 -0.654 -13.877 1.00 53.33 N ATOM 1752 CA PHE A 110 7.124 0.342 -14.927 1.00 44.02 C ATOM 1753 C PHE A 110 8.251 1.370 -14.902 1.00 4.30 C ATOM 1754 O PHE A 110 8.449 2.066 -13.906 1.00 70.12 O ATOM 1755 CB PHE A 110 5.774 1.044 -14.766 1.00 5.11 C ATOM 1756 CG PHE A 110 5.625 2.262 -15.632 1.00 70.02 C ATOM 1757 CD1 PHE A 110 5.224 2.144 -16.953 1.00 73.32 C ATOM 1758 CD2 PHE A 110 5.885 3.525 -15.125 1.00 60.05 C ATOM 1759 CE1 PHE A 110 5.086 3.263 -17.753 1.00 22.35 C ATOM 1760 CE2 PHE A 110 5.749 4.648 -15.920 1.00 72.20 C ATOM 1761 CZ PHE A 110 5.348 4.516 -17.235 1.00 52.40 C ATOM 0 H PHE A 110 7.581 -0.269 -12.973 1.00 53.33 H new ATOM 0 HA PHE A 110 7.145 -0.172 -15.888 1.00 44.02 H new ATOM 0 HB2 PHE A 110 4.977 0.340 -15.003 1.00 5.11 H new ATOM 0 HB3 PHE A 110 5.645 1.332 -13.723 1.00 5.11 H new ATOM 0 HD1 PHE A 110 5.017 1.166 -17.363 1.00 73.32 H new ATOM 0 HD2 PHE A 110 6.198 3.634 -14.097 1.00 60.05 H new ATOM 0 HE1 PHE A 110 4.774 3.157 -18.781 1.00 22.35 H new ATOM 0 HE2 PHE A 110 5.956 5.627 -15.513 1.00 72.20 H new ATOM 0 HZ PHE A 110 5.239 5.392 -17.858 1.00 52.40 H new ATOM 1771 N MET A 111 8.988 1.460 -16.005 1.00 33.52 N ATOM 1772 CA MET A 111 10.095 2.403 -16.110 1.00 32.02 C ATOM 1773 C MET A 111 10.143 3.032 -17.499 1.00 24.52 C ATOM 1774 O MET A 111 10.163 2.328 -18.510 1.00 33.35 O ATOM 1775 CB MET A 111 11.421 1.702 -15.808 1.00 14.02 C ATOM 1776 CG MET A 111 11.737 0.562 -16.762 1.00 74.12 C ATOM 1777 SD MET A 111 12.693 -0.752 -15.982 1.00 22.31 S ATOM 1778 CE MET A 111 11.432 -2.006 -15.765 1.00 4.33 C ATOM 0 H MET A 111 8.838 0.891 -16.838 1.00 33.52 H new ATOM 0 HA MET A 111 9.936 3.194 -15.377 1.00 32.02 H new ATOM 0 HB2 MET A 111 12.227 2.434 -15.850 1.00 14.02 H new ATOM 0 HB3 MET A 111 11.394 1.315 -14.789 1.00 14.02 H new ATOM 0 HG2 MET A 111 10.806 0.148 -17.148 1.00 74.12 H new ATOM 0 HG3 MET A 111 12.291 0.951 -17.616 1.00 74.12 H new ATOM 0 HE1 MET A 111 11.390 -2.302 -14.717 1.00 4.33 H new ATOM 0 HE2 MET A 111 10.465 -1.605 -16.068 1.00 4.33 H new ATOM 0 HE3 MET A 111 11.673 -2.874 -16.378 1.00 4.33 H new ATOM 1788 N LEU A 112 10.163 4.359 -17.542 1.00 53.11 N ATOM 1789 CA LEU A 112 10.209 5.083 -18.808 1.00 31.21 C ATOM 1790 C LEU A 112 10.928 6.418 -18.646 1.00 25.11 C ATOM 1791 O LEU A 112 10.899 7.024 -17.575 1.00 1.22 O ATOM 1792 CB LEU A 112 8.793 5.315 -19.337 1.00 73.34 C ATOM 1793 CG LEU A 112 8.554 4.941 -20.801 1.00 13.22 C ATOM 1794 CD1 LEU A 112 9.355 5.849 -21.721 1.00 62.30 C ATOM 1795 CD2 LEU A 112 8.911 3.482 -21.044 1.00 51.10 C ATOM 0 H LEU A 112 10.148 4.956 -16.715 1.00 53.11 H new ATOM 0 HA LEU A 112 10.764 4.477 -19.525 1.00 31.21 H new ATOM 0 HB2 LEU A 112 8.098 4.746 -18.719 1.00 73.34 H new ATOM 0 HB3 LEU A 112 8.546 6.369 -19.207 1.00 73.34 H new ATOM 0 HG LEU A 112 7.495 5.076 -21.023 1.00 13.22 H new ATOM 0 HD11 LEU A 112 9.173 5.568 -22.758 1.00 62.30 H new ATOM 0 HD12 LEU A 112 9.050 6.884 -21.566 1.00 62.30 H new ATOM 0 HD13 LEU A 112 10.417 5.746 -21.499 1.00 62.30 H new ATOM 0 HD21 LEU A 112 8.735 3.234 -22.091 1.00 51.10 H new ATOM 0 HD22 LEU A 112 9.962 3.320 -20.805 1.00 51.10 H new ATOM 0 HD23 LEU A 112 8.292 2.846 -20.411 1.00 51.10 H new ATOM 1807 N ARG A 113 11.572 6.871 -19.717 1.00 1.13 N ATOM 1808 CA ARG A 113 12.298 8.135 -19.694 1.00 2.15 C ATOM 1809 C ARG A 113 11.365 9.292 -19.350 1.00 13.14 C ATOM 1810 O ARG A 113 11.718 10.177 -18.569 1.00 75.42 O ATOM 1811 CB ARG A 113 12.966 8.389 -21.046 1.00 53.24 C ATOM 1812 CG ARG A 113 11.998 8.357 -22.218 1.00 44.43 C ATOM 1813 CD ARG A 113 12.726 8.137 -23.535 1.00 40.34 C ATOM 1814 NE ARG A 113 11.906 7.407 -24.498 1.00 51.55 N ATOM 1815 CZ ARG A 113 12.131 7.411 -25.808 1.00 3.14 C ATOM 1816 NH1 ARG A 113 13.147 8.102 -26.307 1.00 14.31 N ATOM 1817 NH2 ARG A 113 11.341 6.722 -26.620 1.00 75.21 N ATOM 0 H ARG A 113 11.606 6.381 -20.611 1.00 1.13 H new ATOM 0 HA ARG A 113 13.066 8.069 -18.924 1.00 2.15 H new ATOM 0 HB2 ARG A 113 13.461 9.360 -21.021 1.00 53.24 H new ATOM 0 HB3 ARG A 113 13.741 7.640 -21.205 1.00 53.24 H new ATOM 0 HG2 ARG A 113 11.268 7.562 -22.067 1.00 44.43 H new ATOM 0 HG3 ARG A 113 11.444 9.295 -22.259 1.00 44.43 H new ATOM 0 HD2 ARG A 113 13.010 9.101 -23.958 1.00 40.34 H new ATOM 0 HD3 ARG A 113 13.648 7.585 -23.352 1.00 40.34 H new ATOM 0 HE ARG A 113 11.117 6.864 -24.146 1.00 51.55 H new ATOM 0 HH11 ARG A 113 13.758 8.632 -25.685 1.00 14.31 H new ATOM 0 HH12 ARG A 113 13.318 8.104 -27.313 1.00 14.31 H new ATOM 0 HH21 ARG A 113 10.560 6.188 -26.240 1.00 75.21 H new ATOM 0 HH22 ARG A 113 11.515 6.726 -27.625 1.00 75.21 H new ATOM 1831 N ASP A 114 10.174 9.279 -19.937 1.00 54.14 N ATOM 1832 CA ASP A 114 9.189 10.327 -19.693 1.00 72.41 C ATOM 1833 C ASP A 114 8.383 10.031 -18.432 1.00 52.40 C ATOM 1834 O ASP A 114 8.473 10.755 -17.442 1.00 2.54 O ATOM 1835 CB ASP A 114 8.250 10.464 -20.893 1.00 22.41 C ATOM 1836 CG ASP A 114 8.960 10.232 -22.212 1.00 53.15 C ATOM 1837 OD1 ASP A 114 9.030 9.065 -22.651 1.00 51.11 O ATOM 1838 OD2 ASP A 114 9.446 11.218 -22.806 1.00 74.33 O ATOM 0 H ASP A 114 9.867 8.554 -20.586 1.00 54.14 H new ATOM 0 HA ASP A 114 9.722 11.267 -19.550 1.00 72.41 H new ATOM 0 HB2 ASP A 114 7.432 9.751 -20.794 1.00 22.41 H new ATOM 0 HB3 ASP A 114 7.807 11.460 -20.892 1.00 22.41 H new ATOM 1843 N GLY A 115 7.593 8.962 -18.477 1.00 3.41 N ATOM 1844 CA GLY A 115 6.782 8.591 -17.333 1.00 12.05 C ATOM 1845 C GLY A 115 5.299 8.772 -17.590 1.00 40.10 C ATOM 1846 O GLY A 115 4.652 7.901 -18.171 1.00 41.14 O ATOM 0 H GLY A 115 7.501 8.347 -19.285 1.00 3.41 H new ATOM 0 HA2 GLY A 115 6.978 7.550 -17.075 1.00 12.05 H new ATOM 0 HA3 GLY A 115 7.075 9.194 -16.473 1.00 12.05 H new ATOM 1850 N SER A 116 4.759 9.906 -17.155 1.00 35.11 N ATOM 1851 CA SER A 116 3.341 10.196 -17.337 1.00 1.13 C ATOM 1852 C SER A 116 2.934 10.023 -18.797 1.00 30.22 C ATOM 1853 O SER A 116 1.791 9.678 -19.098 1.00 12.35 O ATOM 1854 CB SER A 116 3.027 11.620 -16.873 1.00 72.22 C ATOM 1855 OG SER A 116 3.874 12.007 -15.806 1.00 2.44 O ATOM 0 H SER A 116 5.281 10.639 -16.674 1.00 35.11 H new ATOM 0 HA SER A 116 2.770 9.490 -16.733 1.00 1.13 H new ATOM 0 HB2 SER A 116 3.147 12.312 -17.706 1.00 72.22 H new ATOM 0 HB3 SER A 116 1.986 11.681 -16.556 1.00 72.22 H new ATOM 0 HG SER A 116 4.675 12.442 -16.166 1.00 2.44 H new ATOM 1861 N TYR A 117 3.878 10.264 -19.700 1.00 14.31 N ATOM 1862 CA TYR A 117 3.618 10.138 -21.129 1.00 60.11 C ATOM 1863 C TYR A 117 3.166 8.723 -21.478 1.00 12.24 C ATOM 1864 O TYR A 117 2.065 8.520 -21.989 1.00 62.31 O ATOM 1865 CB TYR A 117 4.871 10.497 -21.930 1.00 72.30 C ATOM 1866 CG TYR A 117 4.572 11.147 -23.262 1.00 63.21 C ATOM 1867 CD1 TYR A 117 3.648 10.590 -24.137 1.00 61.34 C ATOM 1868 CD2 TYR A 117 5.215 12.317 -23.646 1.00 10.20 C ATOM 1869 CE1 TYR A 117 3.373 11.180 -25.356 1.00 35.41 C ATOM 1870 CE2 TYR A 117 4.945 12.915 -24.862 1.00 33.23 C ATOM 1871 CZ TYR A 117 4.023 12.342 -25.713 1.00 50.22 C ATOM 1872 OH TYR A 117 3.752 12.934 -26.926 1.00 30.42 O ATOM 0 H TYR A 117 4.830 10.548 -19.468 1.00 14.31 H new ATOM 0 HA TYR A 117 2.817 10.830 -21.389 1.00 60.11 H new ATOM 0 HB2 TYR A 117 5.490 11.170 -21.337 1.00 72.30 H new ATOM 0 HB3 TYR A 117 5.455 9.593 -22.099 1.00 72.30 H new ATOM 0 HD1 TYR A 117 3.136 9.680 -23.860 1.00 61.34 H new ATOM 0 HD2 TYR A 117 5.939 12.767 -22.982 1.00 10.20 H new ATOM 0 HE1 TYR A 117 2.653 10.733 -26.025 1.00 35.41 H new ATOM 0 HE2 TYR A 117 5.453 13.825 -25.144 1.00 33.23 H new ATOM 0 HH TYR A 117 4.293 13.745 -27.022 1.00 30.42 H new ATOM 1882 N ALA A 118 4.024 7.748 -21.196 1.00 2.40 N ATOM 1883 CA ALA A 118 3.713 6.352 -21.476 1.00 45.24 C ATOM 1884 C ALA A 118 2.628 5.833 -20.540 1.00 72.41 C ATOM 1885 O ALA A 118 1.852 4.949 -20.904 1.00 61.21 O ATOM 1886 CB ALA A 118 4.967 5.499 -21.359 1.00 24.41 C ATOM 0 H ALA A 118 4.940 7.900 -20.774 1.00 2.40 H new ATOM 0 HA ALA A 118 3.336 6.287 -22.497 1.00 45.24 H new ATOM 0 HB1 ALA A 118 4.720 4.459 -21.571 1.00 24.41 H new ATOM 0 HB2 ALA A 118 5.712 5.848 -22.074 1.00 24.41 H new ATOM 0 HB3 ALA A 118 5.368 5.578 -20.349 1.00 24.41 H new ATOM 1892 N TRP A 119 2.579 6.386 -19.334 1.00 2.01 N ATOM 1893 CA TRP A 119 1.588 5.977 -18.345 1.00 2.11 C ATOM 1894 C TRP A 119 0.183 6.017 -18.934 1.00 55.30 C ATOM 1895 O TRP A 119 -0.689 5.247 -18.534 1.00 33.12 O ATOM 1896 CB TRP A 119 1.664 6.880 -17.113 1.00 3.31 C ATOM 1897 CG TRP A 119 0.779 6.430 -15.991 1.00 31.14 C ATOM 1898 CD1 TRP A 119 -0.583 6.522 -15.933 1.00 45.11 C ATOM 1899 CD2 TRP A 119 1.194 5.819 -14.764 1.00 73.21 C ATOM 1900 NE1 TRP A 119 -1.039 6.005 -14.745 1.00 0.14 N ATOM 1901 CE2 TRP A 119 0.031 5.566 -14.010 1.00 52.33 C ATOM 1902 CE3 TRP A 119 2.434 5.458 -14.230 1.00 52.32 C ATOM 1903 CZ2 TRP A 119 0.074 4.972 -12.752 1.00 63.30 C ATOM 1904 CZ3 TRP A 119 2.475 4.869 -12.981 1.00 62.42 C ATOM 1905 CH2 TRP A 119 1.302 4.629 -12.254 1.00 12.34 C ATOM 0 H TRP A 119 3.214 7.119 -19.017 1.00 2.01 H new ATOM 0 HA TRP A 119 1.808 4.951 -18.049 1.00 2.11 H new ATOM 0 HB2 TRP A 119 2.695 6.916 -16.761 1.00 3.31 H new ATOM 0 HB3 TRP A 119 1.389 7.895 -17.398 1.00 3.31 H new ATOM 0 HD1 TRP A 119 -1.209 6.940 -16.708 1.00 45.11 H new ATOM 0 HE1 TRP A 119 -2.016 5.956 -14.457 1.00 0.14 H new ATOM 0 HE3 TRP A 119 3.344 5.636 -14.784 1.00 52.32 H new ATOM 0 HZ2 TRP A 119 -0.829 4.788 -12.189 1.00 63.30 H new ATOM 0 HZ3 TRP A 119 3.428 4.589 -12.558 1.00 62.42 H new ATOM 0 HH2 TRP A 119 1.368 4.164 -11.281 1.00 12.34 H new ATOM 1916 N GLU A 120 -0.030 6.920 -19.886 1.00 41.15 N ATOM 1917 CA GLU A 120 -1.331 7.060 -20.529 1.00 72.44 C ATOM 1918 C GLU A 120 -1.737 5.763 -21.224 1.00 23.30 C ATOM 1919 O GLU A 120 -2.765 5.168 -20.900 1.00 11.12 O ATOM 1920 CB GLU A 120 -1.304 8.206 -21.542 1.00 14.41 C ATOM 1921 CG GLU A 120 -2.683 8.621 -22.029 1.00 62.41 C ATOM 1922 CD GLU A 120 -2.623 9.556 -23.221 1.00 75.01 C ATOM 1923 OE1 GLU A 120 -1.760 9.345 -24.098 1.00 24.51 O ATOM 1924 OE2 GLU A 120 -3.440 10.499 -23.277 1.00 70.12 O ATOM 0 H GLU A 120 0.682 7.565 -20.229 1.00 41.15 H new ATOM 0 HA GLU A 120 -2.066 7.284 -19.756 1.00 72.44 H new ATOM 0 HB2 GLU A 120 -0.813 9.068 -21.090 1.00 14.41 H new ATOM 0 HB3 GLU A 120 -0.700 7.908 -22.399 1.00 14.41 H new ATOM 0 HG2 GLU A 120 -3.252 7.731 -22.298 1.00 62.41 H new ATOM 0 HG3 GLU A 120 -3.220 9.109 -21.216 1.00 62.41 H new ATOM 1931 N ILE A 121 -0.922 5.331 -22.181 1.00 3.14 N ATOM 1932 CA ILE A 121 -1.195 4.105 -22.921 1.00 2.35 C ATOM 1933 C ILE A 121 -1.011 2.877 -22.036 1.00 31.20 C ATOM 1934 O ILE A 121 -1.813 1.944 -22.076 1.00 31.51 O ATOM 1935 CB ILE A 121 -0.282 3.977 -24.154 1.00 5.10 C ATOM 1936 CG1 ILE A 121 -0.438 5.199 -25.061 1.00 52.30 C ATOM 1937 CG2 ILE A 121 -0.599 2.700 -24.917 1.00 61.04 C ATOM 1938 CD1 ILE A 121 -1.823 5.339 -25.653 1.00 13.02 C ATOM 0 H ILE A 121 -0.067 5.812 -22.462 1.00 3.14 H new ATOM 0 HA ILE A 121 -2.232 4.160 -23.252 1.00 2.35 H new ATOM 0 HB ILE A 121 0.754 3.928 -23.817 1.00 5.10 H new ATOM 0 HG12 ILE A 121 -0.203 6.097 -24.490 1.00 52.30 H new ATOM 0 HG13 ILE A 121 0.290 5.136 -25.870 1.00 52.30 H new ATOM 0 HG21 ILE A 121 0.055 2.624 -25.786 1.00 61.04 H new ATOM 0 HG22 ILE A 121 -0.441 1.839 -24.267 1.00 61.04 H new ATOM 0 HG23 ILE A 121 -1.638 2.721 -25.245 1.00 61.04 H new ATOM 0 HD11 ILE A 121 -1.861 6.226 -26.285 1.00 13.02 H new ATOM 0 HD12 ILE A 121 -2.054 4.458 -26.251 1.00 13.02 H new ATOM 0 HD13 ILE A 121 -2.554 5.434 -24.850 1.00 13.02 H new ATOM 1950 N LYS A 122 0.050 2.884 -21.236 1.00 34.01 N ATOM 1951 CA LYS A 122 0.339 1.772 -20.338 1.00 13.32 C ATOM 1952 C LYS A 122 -0.880 1.428 -19.488 1.00 13.53 C ATOM 1953 O LYS A 122 -1.071 0.277 -19.097 1.00 32.23 O ATOM 1954 CB LYS A 122 1.524 2.116 -19.433 1.00 22.40 C ATOM 1955 CG LYS A 122 2.825 1.459 -19.860 1.00 65.01 C ATOM 1956 CD LYS A 122 3.355 2.059 -21.152 1.00 3.14 C ATOM 1957 CE LYS A 122 3.359 1.039 -22.280 1.00 22.02 C ATOM 1958 NZ LYS A 122 4.040 1.561 -23.497 1.00 22.20 N ATOM 0 H LYS A 122 0.724 3.648 -21.191 1.00 34.01 H new ATOM 0 HA LYS A 122 0.593 0.903 -20.945 1.00 13.32 H new ATOM 0 HB2 LYS A 122 1.660 3.197 -19.421 1.00 22.40 H new ATOM 0 HB3 LYS A 122 1.291 1.813 -18.412 1.00 22.40 H new ATOM 0 HG2 LYS A 122 3.569 1.576 -19.072 1.00 65.01 H new ATOM 0 HG3 LYS A 122 2.667 0.389 -19.993 1.00 65.01 H new ATOM 0 HD2 LYS A 122 2.742 2.914 -21.436 1.00 3.14 H new ATOM 0 HD3 LYS A 122 4.367 2.431 -20.993 1.00 3.14 H new ATOM 0 HE2 LYS A 122 3.859 0.130 -21.946 1.00 22.02 H new ATOM 0 HE3 LYS A 122 2.333 0.766 -22.527 1.00 22.02 H new ATOM 0 HZ1 LYS A 122 3.607 1.141 -24.344 1.00 22.20 H new ATOM 0 HZ2 LYS A 122 3.940 2.596 -23.534 1.00 22.20 H new ATOM 0 HZ3 LYS A 122 5.049 1.312 -23.464 1.00 22.20 H new ATOM 1972 N ASP A 123 -1.702 2.433 -19.207 1.00 13.43 N ATOM 1973 CA ASP A 123 -2.905 2.237 -18.405 1.00 64.41 C ATOM 1974 C ASP A 123 -3.735 1.077 -18.946 1.00 65.42 C ATOM 1975 O ASP A 123 -4.184 0.216 -18.190 1.00 34.42 O ATOM 1976 CB ASP A 123 -3.744 3.515 -18.384 1.00 73.23 C ATOM 1977 CG ASP A 123 -4.482 3.702 -17.073 1.00 62.30 C ATOM 1978 OD1 ASP A 123 -5.603 3.167 -16.941 1.00 23.32 O ATOM 1979 OD2 ASP A 123 -3.938 4.382 -16.179 1.00 3.14 O ATOM 0 H ASP A 123 -1.558 3.392 -19.523 1.00 13.43 H new ATOM 0 HA ASP A 123 -2.598 1.997 -17.387 1.00 64.41 H new ATOM 0 HB2 ASP A 123 -3.096 4.374 -18.559 1.00 73.23 H new ATOM 0 HB3 ASP A 123 -4.464 3.487 -19.202 1.00 73.23 H new ATOM 1984 N PHE A 124 -3.934 1.061 -20.260 1.00 35.01 N ATOM 1985 CA PHE A 124 -4.712 0.008 -20.902 1.00 73.03 C ATOM 1986 C PHE A 124 -3.960 -1.319 -20.873 1.00 22.24 C ATOM 1987 O PHE A 124 -4.568 -2.390 -20.831 1.00 5.20 O ATOM 1988 CB PHE A 124 -5.034 0.392 -22.348 1.00 14.32 C ATOM 1989 CG PHE A 124 -6.440 0.886 -22.538 1.00 33.41 C ATOM 1990 CD1 PHE A 124 -7.490 -0.009 -22.676 1.00 44.43 C ATOM 1991 CD2 PHE A 124 -6.712 2.244 -22.579 1.00 35.42 C ATOM 1992 CE1 PHE A 124 -8.785 0.442 -22.851 1.00 24.10 C ATOM 1993 CE2 PHE A 124 -8.005 2.700 -22.753 1.00 34.03 C ATOM 1994 CZ PHE A 124 -9.043 1.798 -22.890 1.00 45.12 C ATOM 0 H PHE A 124 -3.567 1.765 -20.901 1.00 35.01 H new ATOM 0 HA PHE A 124 -5.643 -0.110 -20.348 1.00 73.03 H new ATOM 0 HB2 PHE A 124 -4.338 1.166 -22.674 1.00 14.32 H new ATOM 0 HB3 PHE A 124 -4.872 -0.474 -22.990 1.00 14.32 H new ATOM 0 HD1 PHE A 124 -7.294 -1.071 -22.646 1.00 44.43 H new ATOM 0 HD2 PHE A 124 -5.905 2.954 -22.474 1.00 35.42 H new ATOM 0 HE1 PHE A 124 -9.594 -0.265 -22.957 1.00 24.10 H new ATOM 0 HE2 PHE A 124 -8.204 3.761 -22.782 1.00 34.03 H new ATOM 0 HZ PHE A 124 -10.054 2.153 -23.027 1.00 45.12 H new ATOM 2004 N LEU A 125 -2.634 -1.241 -20.895 1.00 21.01 N ATOM 2005 CA LEU A 125 -1.797 -2.435 -20.871 1.00 64.41 C ATOM 2006 C LEU A 125 -1.862 -3.119 -19.509 1.00 74.54 C ATOM 2007 O LEU A 125 -2.216 -4.295 -19.410 1.00 5.44 O ATOM 2008 CB LEU A 125 -0.348 -2.073 -21.203 1.00 60.32 C ATOM 2009 CG LEU A 125 0.282 -2.830 -22.373 1.00 72.31 C ATOM 2010 CD1 LEU A 125 0.382 -4.314 -22.057 1.00 35.53 C ATOM 2011 CD2 LEU A 125 -0.521 -2.607 -23.647 1.00 21.35 C ATOM 0 H LEU A 125 -2.115 -0.363 -20.929 1.00 21.01 H new ATOM 0 HA LEU A 125 -2.174 -3.128 -21.623 1.00 64.41 H new ATOM 0 HB2 LEU A 125 -0.302 -1.006 -21.420 1.00 60.32 H new ATOM 0 HB3 LEU A 125 0.261 -2.245 -20.315 1.00 60.32 H new ATOM 0 HG LEU A 125 1.289 -2.444 -22.530 1.00 72.31 H new ATOM 0 HD11 LEU A 125 0.833 -4.836 -22.901 1.00 35.53 H new ATOM 0 HD12 LEU A 125 1.000 -4.456 -21.170 1.00 35.53 H new ATOM 0 HD13 LEU A 125 -0.615 -4.715 -21.873 1.00 35.53 H new ATOM 0 HD21 LEU A 125 -0.058 -3.153 -24.469 1.00 21.35 H new ATOM 0 HD22 LEU A 125 -1.540 -2.965 -23.502 1.00 21.35 H new ATOM 0 HD23 LEU A 125 -0.540 -1.543 -23.883 1.00 21.35 H new ATOM 2023 N VAL A 126 -1.522 -2.375 -18.462 1.00 21.31 N ATOM 2024 CA VAL A 126 -1.545 -2.909 -17.105 1.00 54.41 C ATOM 2025 C VAL A 126 -2.887 -3.562 -16.795 1.00 33.13 C ATOM 2026 O VAL A 126 -2.964 -4.501 -16.002 1.00 3.41 O ATOM 2027 CB VAL A 126 -1.270 -1.807 -16.064 1.00 71.22 C ATOM 2028 CG1 VAL A 126 -2.295 -0.690 -16.186 1.00 4.54 C ATOM 2029 CG2 VAL A 126 -1.269 -2.391 -14.659 1.00 53.33 C ATOM 0 H VAL A 126 -1.227 -1.401 -18.527 1.00 21.31 H new ATOM 0 HA VAL A 126 -0.757 -3.659 -17.046 1.00 54.41 H new ATOM 0 HB VAL A 126 -0.284 -1.385 -16.258 1.00 71.22 H new ATOM 0 HG11 VAL A 126 -2.085 0.079 -15.443 1.00 4.54 H new ATOM 0 HG12 VAL A 126 -2.242 -0.255 -17.184 1.00 4.54 H new ATOM 0 HG13 VAL A 126 -3.294 -1.093 -16.019 1.00 4.54 H new ATOM 0 HG21 VAL A 126 -1.073 -1.599 -13.936 1.00 53.33 H new ATOM 0 HG22 VAL A 126 -2.240 -2.840 -14.451 1.00 53.33 H new ATOM 0 HG23 VAL A 126 -0.493 -3.153 -14.582 1.00 53.33 H new ATOM 2039 N SER A 127 -3.944 -3.060 -17.425 1.00 41.35 N ATOM 2040 CA SER A 127 -5.285 -3.592 -17.214 1.00 62.54 C ATOM 2041 C SER A 127 -5.304 -5.106 -17.404 1.00 71.13 C ATOM 2042 O SER A 127 -6.098 -5.810 -16.780 1.00 42.14 O ATOM 2043 CB SER A 127 -6.276 -2.934 -18.176 1.00 45.32 C ATOM 2044 OG SER A 127 -7.385 -2.397 -17.477 1.00 73.30 O ATOM 0 H SER A 127 -3.898 -2.285 -18.086 1.00 41.35 H new ATOM 0 HA SER A 127 -5.581 -3.367 -16.189 1.00 62.54 H new ATOM 0 HB2 SER A 127 -5.775 -2.142 -18.733 1.00 45.32 H new ATOM 0 HB3 SER A 127 -6.622 -3.667 -18.905 1.00 45.32 H new ATOM 0 HG SER A 127 -8.003 -1.981 -18.114 1.00 73.30 H new ATOM 2050 N GLN A 128 -4.425 -5.599 -18.270 1.00 45.24 N ATOM 2051 CA GLN A 128 -4.341 -7.029 -18.544 1.00 3.45 C ATOM 2052 C GLN A 128 -3.915 -7.797 -17.297 1.00 0.12 C ATOM 2053 O GLN A 128 -4.479 -8.844 -16.978 1.00 12.31 O ATOM 2054 CB GLN A 128 -3.355 -7.295 -19.682 1.00 41.25 C ATOM 2055 CG GLN A 128 -3.922 -6.994 -21.061 1.00 2.25 C ATOM 2056 CD GLN A 128 -3.944 -8.213 -21.962 1.00 4.35 C ATOM 2057 OE1 GLN A 128 -2.992 -8.471 -22.698 1.00 64.55 O ATOM 2058 NE2 GLN A 128 -5.033 -8.970 -21.907 1.00 51.13 N ATOM 0 H GLN A 128 -3.761 -5.029 -18.794 1.00 45.24 H new ATOM 0 HA GLN A 128 -5.331 -7.375 -18.842 1.00 3.45 H new ATOM 0 HB2 GLN A 128 -2.461 -6.691 -19.526 1.00 41.25 H new ATOM 0 HB3 GLN A 128 -3.044 -8.339 -19.646 1.00 41.25 H new ATOM 0 HG2 GLN A 128 -4.935 -6.606 -20.956 1.00 2.25 H new ATOM 0 HG3 GLN A 128 -3.328 -6.210 -21.531 1.00 2.25 H new ATOM 0 HE21 GLN A 128 -5.798 -8.718 -21.282 1.00 51.13 H new ATOM 0 HE22 GLN A 128 -5.104 -9.804 -22.490 1.00 51.13 H new ATOM 2067 N ASP A 129 -2.917 -7.271 -16.596 1.00 3.21 N ATOM 2068 CA ASP A 129 -2.415 -7.907 -15.383 1.00 54.11 C ATOM 2069 C ASP A 129 -1.819 -9.276 -15.694 1.00 44.14 C ATOM 2070 O ASP A 129 -1.906 -10.200 -14.886 1.00 73.42 O ATOM 2071 CB ASP A 129 -3.538 -8.048 -14.354 1.00 73.23 C ATOM 2072 CG ASP A 129 -3.017 -8.099 -12.932 1.00 30.23 C ATOM 2073 OD1 ASP A 129 -2.659 -9.203 -12.470 1.00 32.13 O ATOM 2074 OD2 ASP A 129 -2.966 -7.035 -12.280 1.00 70.05 O ATOM 0 H ASP A 129 -2.439 -6.405 -16.847 1.00 3.21 H new ATOM 0 HA ASP A 129 -1.630 -7.275 -14.969 1.00 54.11 H new ATOM 0 HB2 ASP A 129 -4.227 -7.210 -14.455 1.00 73.23 H new ATOM 0 HB3 ASP A 129 -4.106 -8.955 -14.562 1.00 73.23 H new ATOM 2079 N ARG A 130 -1.213 -9.398 -16.871 1.00 71.11 N ATOM 2080 CA ARG A 130 -0.604 -10.655 -17.290 1.00 0.30 C ATOM 2081 C ARG A 130 0.032 -10.517 -18.670 1.00 71.12 C ATOM 2082 O ARG A 130 -0.411 -11.143 -19.634 1.00 32.21 O ATOM 2083 CB ARG A 130 -1.649 -11.772 -17.307 1.00 50.22 C ATOM 2084 CG ARG A 130 -2.926 -11.400 -18.042 1.00 53.42 C ATOM 2085 CD ARG A 130 -3.276 -12.427 -19.107 1.00 63.13 C ATOM 2086 NE ARG A 130 -4.240 -13.411 -18.623 1.00 71.22 N ATOM 2087 CZ ARG A 130 -4.920 -14.228 -19.420 1.00 50.34 C ATOM 2088 NH1 ARG A 130 -4.742 -14.178 -20.733 1.00 64.42 N ATOM 2089 NH2 ARG A 130 -5.780 -15.096 -18.904 1.00 72.45 N ATOM 0 H ARG A 130 -1.131 -8.642 -17.551 1.00 71.11 H new ATOM 0 HA ARG A 130 0.177 -10.909 -16.573 1.00 0.30 H new ATOM 0 HB2 ARG A 130 -1.216 -12.656 -17.774 1.00 50.22 H new ATOM 0 HB3 ARG A 130 -1.896 -12.042 -16.280 1.00 50.22 H new ATOM 0 HG2 ARG A 130 -3.747 -11.319 -17.329 1.00 53.42 H new ATOM 0 HG3 ARG A 130 -2.808 -10.420 -18.505 1.00 53.42 H new ATOM 0 HD2 ARG A 130 -3.685 -11.919 -19.980 1.00 63.13 H new ATOM 0 HD3 ARG A 130 -2.369 -12.937 -19.431 1.00 63.13 H new ATOM 0 HE ARG A 130 -4.400 -13.475 -17.618 1.00 71.22 H new ATOM 0 HH11 ARG A 130 -4.082 -13.511 -21.133 1.00 64.42 H new ATOM 0 HH12 ARG A 130 -5.265 -14.806 -21.343 1.00 64.42 H new ATOM 0 HH21 ARG A 130 -5.920 -15.137 -17.894 1.00 72.45 H new ATOM 0 HH22 ARG A 130 -6.302 -15.723 -19.517 1.00 72.45 H new ATOM 2103 N CYS A 131 1.071 -9.694 -18.758 1.00 21.44 N ATOM 2104 CA CYS A 131 1.767 -9.473 -20.020 1.00 63.42 C ATOM 2105 C CYS A 131 3.238 -9.148 -19.780 1.00 51.34 C ATOM 2106 O CYS A 131 3.584 -8.472 -18.812 1.00 43.43 O ATOM 2107 CB CYS A 131 1.102 -8.339 -20.802 1.00 21.44 C ATOM 2108 SG CYS A 131 0.390 -8.851 -22.383 1.00 31.22 S ATOM 0 H CYS A 131 1.450 -9.169 -17.970 1.00 21.44 H new ATOM 0 HA CYS A 131 1.707 -10.391 -20.605 1.00 63.42 H new ATOM 0 HB2 CYS A 131 0.316 -7.900 -20.187 1.00 21.44 H new ATOM 0 HB3 CYS A 131 1.839 -7.557 -20.984 1.00 21.44 H new ATOM 0 HG CYS A 131 -0.895 -8.655 -22.364 1.00 31.22 H new ATOM 2114 N ALA A 132 4.099 -9.635 -20.668 1.00 12.01 N ATOM 2115 CA ALA A 132 5.532 -9.396 -20.553 1.00 50.50 C ATOM 2116 C ALA A 132 6.019 -8.448 -21.644 1.00 4.24 C ATOM 2117 O ALA A 132 5.644 -8.582 -22.808 1.00 1.02 O ATOM 2118 CB ALA A 132 6.294 -10.711 -20.615 1.00 74.34 C ATOM 0 H ALA A 132 3.829 -10.197 -21.475 1.00 12.01 H new ATOM 0 HA ALA A 132 5.720 -8.926 -19.588 1.00 50.50 H new ATOM 0 HB1 ALA A 132 7.363 -10.517 -20.528 1.00 74.34 H new ATOM 0 HB2 ALA A 132 5.974 -11.356 -19.796 1.00 74.34 H new ATOM 0 HB3 ALA A 132 6.091 -11.204 -21.566 1.00 74.34 H new ATOM 2124 N GLU A 133 6.857 -7.490 -21.258 1.00 53.21 N ATOM 2125 CA GLU A 133 7.393 -6.519 -22.204 1.00 45.05 C ATOM 2126 C GLU A 133 8.779 -6.047 -21.773 1.00 12.24 C ATOM 2127 O GLU A 133 9.008 -5.750 -20.600 1.00 65.40 O ATOM 2128 CB GLU A 133 6.450 -5.321 -22.330 1.00 43.40 C ATOM 2129 CG GLU A 133 6.430 -4.705 -23.719 1.00 5.42 C ATOM 2130 CD GLU A 133 5.932 -5.669 -24.778 1.00 11.23 C ATOM 2131 OE1 GLU A 133 5.043 -6.488 -24.462 1.00 43.32 O ATOM 2132 OE2 GLU A 133 6.430 -5.605 -25.921 1.00 10.21 O ATOM 0 H GLU A 133 7.179 -7.366 -20.298 1.00 53.21 H new ATOM 0 HA GLU A 133 7.480 -7.007 -23.175 1.00 45.05 H new ATOM 0 HB2 GLU A 133 5.440 -5.635 -22.067 1.00 43.40 H new ATOM 0 HB3 GLU A 133 6.745 -4.559 -21.608 1.00 43.40 H new ATOM 0 HG2 GLU A 133 5.794 -3.820 -23.711 1.00 5.42 H new ATOM 0 HG3 GLU A 133 7.435 -4.373 -23.979 1.00 5.42 H new ATOM 2139 N VAL A 134 9.700 -5.980 -22.729 1.00 54.11 N ATOM 2140 CA VAL A 134 11.062 -5.544 -22.449 1.00 43.41 C ATOM 2141 C VAL A 134 11.682 -4.864 -23.665 1.00 3.43 C ATOM 2142 O VAL A 134 11.781 -5.457 -24.739 1.00 43.24 O ATOM 2143 CB VAL A 134 11.954 -6.726 -22.025 1.00 42.34 C ATOM 2144 CG1 VAL A 134 11.883 -7.844 -23.054 1.00 21.11 C ATOM 2145 CG2 VAL A 134 13.390 -6.264 -21.826 1.00 30.54 C ATOM 0 H VAL A 134 9.527 -6.222 -23.705 1.00 54.11 H new ATOM 0 HA VAL A 134 11.003 -4.830 -21.627 1.00 43.41 H new ATOM 0 HB VAL A 134 11.586 -7.115 -21.075 1.00 42.34 H new ATOM 0 HG11 VAL A 134 12.519 -8.671 -22.738 1.00 21.11 H new ATOM 0 HG12 VAL A 134 10.854 -8.192 -23.143 1.00 21.11 H new ATOM 0 HG13 VAL A 134 12.225 -7.472 -24.020 1.00 21.11 H new ATOM 0 HG21 VAL A 134 14.007 -7.111 -21.527 1.00 30.54 H new ATOM 0 HG22 VAL A 134 13.771 -5.849 -22.759 1.00 30.54 H new ATOM 0 HG23 VAL A 134 13.422 -5.500 -21.049 1.00 30.54 H new ATOM 2155 N THR A 135 12.100 -3.614 -23.488 1.00 51.21 N ATOM 2156 CA THR A 135 12.710 -2.852 -24.570 1.00 41.22 C ATOM 2157 C THR A 135 13.965 -2.128 -24.094 1.00 34.51 C ATOM 2158 O THR A 135 13.922 -1.356 -23.135 1.00 62.22 O ATOM 2159 CB THR A 135 11.727 -1.820 -25.154 1.00 51.15 C ATOM 2160 OG1 THR A 135 10.693 -1.537 -24.205 1.00 53.55 O ATOM 2161 CG2 THR A 135 11.110 -2.332 -26.447 1.00 74.20 C ATOM 0 H THR A 135 12.027 -3.108 -22.605 1.00 51.21 H new ATOM 0 HA THR A 135 12.979 -3.567 -25.347 1.00 41.22 H new ATOM 0 HB THR A 135 12.280 -0.906 -25.371 1.00 51.15 H new ATOM 0 HG1 THR A 135 11.093 -1.361 -23.328 1.00 53.55 H new ATOM 0 HG21 THR A 135 10.419 -1.586 -26.841 1.00 74.20 H new ATOM 0 HG22 THR A 135 11.898 -2.519 -27.177 1.00 74.20 H new ATOM 0 HG23 THR A 135 10.570 -3.258 -26.251 1.00 74.20 H new ATOM 2169 N LEU A 136 15.080 -2.382 -24.769 1.00 22.32 N ATOM 2170 CA LEU A 136 16.348 -1.754 -24.415 1.00 23.02 C ATOM 2171 C LEU A 136 17.121 -1.344 -25.665 1.00 15.14 C ATOM 2172 O LEU A 136 17.124 -2.059 -26.666 1.00 22.54 O ATOM 2173 CB LEU A 136 17.194 -2.708 -23.569 1.00 11.30 C ATOM 2174 CG LEU A 136 17.750 -3.934 -24.294 1.00 10.13 C ATOM 2175 CD1 LEU A 136 19.199 -3.705 -24.695 1.00 71.22 C ATOM 2176 CD2 LEU A 136 17.626 -5.172 -23.418 1.00 63.42 C ATOM 0 H LEU A 136 15.132 -3.018 -25.564 1.00 22.32 H new ATOM 0 HA LEU A 136 16.131 -0.858 -23.834 1.00 23.02 H new ATOM 0 HB2 LEU A 136 18.030 -2.147 -23.152 1.00 11.30 H new ATOM 0 HB3 LEU A 136 16.589 -3.050 -22.729 1.00 11.30 H new ATOM 0 HG LEU A 136 17.165 -4.094 -25.200 1.00 10.13 H new ATOM 0 HD11 LEU A 136 19.578 -4.588 -25.210 1.00 71.22 H new ATOM 0 HD12 LEU A 136 19.261 -2.843 -25.359 1.00 71.22 H new ATOM 0 HD13 LEU A 136 19.798 -3.520 -23.804 1.00 71.22 H new ATOM 0 HD21 LEU A 136 18.026 -6.035 -23.949 1.00 63.42 H new ATOM 0 HD22 LEU A 136 18.186 -5.022 -22.495 1.00 63.42 H new ATOM 0 HD23 LEU A 136 16.576 -5.347 -23.181 1.00 63.42 H new