USER MOD reduce.3.24.130724 H: found=0, std=0, add=874, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 873 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 106 THR OG1 : rot 180:sc= -0.0251 USER MOD Set 1.2: A 111 HIS : no HD1:sc= -0.926 X(o=-0.95,f=-0.6) USER MOD Set 2.1: A 13 HIS : no HD1:sc= -1.75! K(o=0.021!,f=2.5) USER MOD Set 2.2: A 65 SER OG : rot 10:sc= 1.72 USER MOD Set 2.3: A 69 SER OG : rot 180:sc= 0.0559 USER MOD Set 3.1: A 59 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 63 GLN : amide:sc= 0.201 X(o=0.2,f=0) USER MOD Set 4.1: A 48 GLN : amide:sc= 0.963 K(o=2.2,f=-7.6!) USER MOD Set 4.2: A 51 LYS NZ :NH3+ 164:sc= 1.21 (180deg=0) USER MOD Set 5.1: A 17 LYS NZ :NH3+ 165:sc= 1.11 (180deg=-0.415) USER MOD Set 5.2: A 26 SER OG : rot 65:sc= -0.723 USER MOD Set 5.3: A 29 GLN : amide:sc= 0.522 K(o=0.91,f=-6.3!) USER MOD Set 6.1: A 12 SER OG : rot 72:sc= 0.108 USER MOD Set 6.2: A 116 THR OG1 : rot 180:sc= 0.106 USER MOD Single : A 11 CYS SG : rot -150:sc= -0.572 USER MOD Single : A 18 HIS : no HD1:sc= 0.653 K(o=0.65,f=-2.9!) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.976 K(o=-0.98,f=0) USER MOD Single : A 21 SER OG : rot 180:sc= -0.688 USER MOD Single : A 25 SER OG : rot 180:sc= -0.188 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.014 USER MOD Single : A 35 THR OG1 : rot -103:sc= 0.128 USER MOD Single : A 36 LYS NZ :NH3+ -165:sc= -0.0149 (180deg=-0.235) USER MOD Single : A 44 ASN : amide:sc= -0.031 K(o=-0.031,f=-1.7!) USER MOD Single : A 46 TYR OH : rot 180:sc= -0.612 USER MOD Single : A 49 LYS NZ :NH3+ -158:sc= 2.3 (180deg=1.6) USER MOD Single : A 52 SER OG : rot 173:sc= 0.7 USER MOD Single : A 62 SER OG : rot 62:sc= -0.564 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 33:sc= 1.32 USER MOD Single : A 83 GLN : amide:sc= -0.241 K(o=-0.24,f=-4.2!) USER MOD Single : A 84 MET CE :methyl 163:sc= -0.0872 (180deg=-0.535) USER MOD Single : A 85 GLN : amide:sc= -0.103 K(o=-0.1,f=-0.63) USER MOD Single : A 86 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0984) USER MOD Single : A 92 SER OG : rot 79:sc= 0.454 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 MET CE :methyl 166:sc= -0.857 (180deg=-1.39) USER MOD Single : A 101 SER OG : rot 180:sc= 0.644 USER MOD Single : A 108 SER OG : rot -20:sc= -1.09 USER MOD ----------------------------------------------------------------- ATOM 71 N PRO A 6 7.352 17.494 0.916 1.00 13.43 N ATOM 72 CA PRO A 6 6.247 18.373 1.288 1.00 22.24 C ATOM 73 C PRO A 6 5.819 18.128 2.727 1.00 32.15 C ATOM 74 O PRO A 6 6.004 17.034 3.258 1.00 14.50 O ATOM 75 CB PRO A 6 5.125 17.983 0.316 1.00 24.41 C ATOM 76 CG PRO A 6 5.467 16.606 -0.137 1.00 73.23 C ATOM 77 CD PRO A 6 6.966 16.523 -0.124 1.00 75.33 C ATOM 0 HA PRO A 6 6.512 19.429 1.228 1.00 22.24 H new ATOM 0 HB2 PRO A 6 4.152 18.007 0.807 1.00 24.41 H new ATOM 0 HB3 PRO A 6 5.074 18.674 -0.526 1.00 24.41 H new ATOM 0 HG2 PRO A 6 5.030 15.858 0.525 1.00 73.23 H new ATOM 0 HG3 PRO A 6 5.075 16.416 -1.136 1.00 73.23 H new ATOM 0 HD2 PRO A 6 7.311 15.517 0.117 1.00 75.33 H new ATOM 0 HD3 PRO A 6 7.391 16.782 -1.094 1.00 75.33 H new ATOM 85 N ALA A 7 5.263 19.138 3.357 1.00 25.43 N ATOM 86 CA ALA A 7 4.827 19.015 4.735 1.00 3.31 C ATOM 87 C ALA A 7 3.579 18.154 4.825 1.00 51.54 C ATOM 88 O ALA A 7 3.345 17.477 5.831 1.00 64.21 O ATOM 89 CB ALA A 7 4.575 20.385 5.336 1.00 43.14 C ATOM 0 H ALA A 7 5.101 20.055 2.940 1.00 25.43 H new ATOM 0 HA ALA A 7 5.619 18.530 5.305 1.00 3.31 H new ATOM 0 HB1 ALA A 7 4.249 20.274 6.370 1.00 43.14 H new ATOM 0 HB2 ALA A 7 5.494 20.970 5.306 1.00 43.14 H new ATOM 0 HB3 ALA A 7 3.801 20.896 4.764 1.00 43.14 H new ATOM 95 N ARG A 8 2.791 18.172 3.764 1.00 24.13 N ATOM 96 CA ARG A 8 1.562 17.403 3.702 1.00 74.40 C ATOM 97 C ARG A 8 1.397 16.800 2.307 1.00 2.24 C ATOM 98 O ARG A 8 1.554 17.496 1.298 1.00 5.44 O ATOM 99 CB ARG A 8 0.372 18.303 4.043 1.00 22.42 C ATOM 100 CG ARG A 8 -0.938 17.563 4.228 1.00 55.31 C ATOM 101 CD ARG A 8 -2.052 18.509 4.633 1.00 25.44 C ATOM 102 NE ARG A 8 -3.297 17.800 4.913 1.00 4.12 N ATOM 103 CZ ARG A 8 -4.466 18.388 5.155 1.00 1.11 C ATOM 104 NH1 ARG A 8 -4.555 19.712 5.192 1.00 2.12 N ATOM 105 NH2 ARG A 8 -5.543 17.647 5.369 1.00 54.31 N ATOM 0 H ARG A 8 2.985 18.718 2.925 1.00 24.13 H new ATOM 0 HA ARG A 8 1.605 16.591 4.428 1.00 74.40 H new ATOM 0 HB2 ARG A 8 0.597 18.853 4.957 1.00 22.42 H new ATOM 0 HB3 ARG A 8 0.250 19.040 3.250 1.00 22.42 H new ATOM 0 HG2 ARG A 8 -1.207 17.057 3.301 1.00 55.31 H new ATOM 0 HG3 ARG A 8 -0.818 16.792 4.989 1.00 55.31 H new ATOM 0 HD2 ARG A 8 -1.748 19.070 5.517 1.00 25.44 H new ATOM 0 HD3 ARG A 8 -2.219 19.234 3.837 1.00 25.44 H new ATOM 0 HE ARG A 8 -3.269 16.780 4.924 1.00 4.12 H new ATOM 0 HH11 ARG A 8 -3.725 20.284 5.035 1.00 2.12 H new ATOM 0 HH12 ARG A 8 -5.453 20.158 5.378 1.00 2.12 H new ATOM 0 HH21 ARG A 8 -5.474 16.630 5.348 1.00 54.31 H new ATOM 0 HH22 ARG A 8 -6.441 18.094 5.555 1.00 54.31 H new ATOM 119 N VAL A 9 1.095 15.514 2.247 1.00 43.03 N ATOM 120 CA VAL A 9 0.949 14.829 0.974 1.00 13.31 C ATOM 121 C VAL A 9 -0.265 13.901 0.984 1.00 43.23 C ATOM 122 O VAL A 9 -0.635 13.357 2.025 1.00 74.24 O ATOM 123 CB VAL A 9 2.226 14.007 0.624 1.00 41.44 C ATOM 124 CG1 VAL A 9 2.380 12.804 1.544 1.00 30.01 C ATOM 125 CG2 VAL A 9 2.211 13.569 -0.828 1.00 1.31 C ATOM 0 H VAL A 9 0.946 14.923 3.065 1.00 43.03 H new ATOM 0 HA VAL A 9 0.804 15.596 0.213 1.00 13.31 H new ATOM 0 HB VAL A 9 3.086 14.659 0.776 1.00 41.44 H new ATOM 0 HG11 VAL A 9 3.280 12.252 1.273 1.00 30.01 H new ATOM 0 HG12 VAL A 9 2.459 13.144 2.577 1.00 30.01 H new ATOM 0 HG13 VAL A 9 1.511 12.154 1.441 1.00 30.01 H new ATOM 0 HG21 VAL A 9 3.113 12.997 -1.045 1.00 1.31 H new ATOM 0 HG22 VAL A 9 1.335 12.947 -1.011 1.00 1.31 H new ATOM 0 HG23 VAL A 9 2.174 14.447 -1.473 1.00 1.31 H new ATOM 135 N ARG A 10 -0.890 13.751 -0.165 1.00 53.43 N ATOM 136 CA ARG A 10 -2.012 12.853 -0.317 1.00 34.43 C ATOM 137 C ARG A 10 -1.566 11.607 -1.050 1.00 72.43 C ATOM 138 O ARG A 10 -1.205 11.667 -2.226 1.00 51.31 O ATOM 139 CB ARG A 10 -3.139 13.525 -1.094 1.00 12.12 C ATOM 140 CG ARG A 10 -4.359 12.645 -1.285 1.00 5.04 C ATOM 141 CD ARG A 10 -5.401 13.333 -2.136 1.00 61.42 C ATOM 142 NE ARG A 10 -6.621 12.541 -2.259 1.00 1.11 N ATOM 143 CZ ARG A 10 -7.733 12.981 -2.844 1.00 33.22 C ATOM 144 NH1 ARG A 10 -7.747 14.166 -3.448 1.00 34.31 N ATOM 145 NH2 ARG A 10 -8.822 12.229 -2.852 1.00 14.35 N ATOM 0 H ARG A 10 -0.634 14.248 -1.018 1.00 53.43 H new ATOM 0 HA ARG A 10 -2.382 12.587 0.673 1.00 34.43 H new ATOM 0 HB2 ARG A 10 -3.436 14.434 -0.571 1.00 12.12 H new ATOM 0 HB3 ARG A 10 -2.764 13.827 -2.072 1.00 12.12 H new ATOM 0 HG2 ARG A 10 -4.064 11.707 -1.755 1.00 5.04 H new ATOM 0 HG3 ARG A 10 -4.786 12.395 -0.314 1.00 5.04 H new ATOM 0 HD2 ARG A 10 -5.641 14.303 -1.700 1.00 61.42 H new ATOM 0 HD3 ARG A 10 -4.991 13.522 -3.128 1.00 61.42 H new ATOM 0 HE ARG A 10 -6.622 11.596 -1.875 1.00 1.11 H new ATOM 0 HH11 ARG A 10 -6.904 14.740 -3.464 1.00 34.31 H new ATOM 0 HH12 ARG A 10 -8.601 14.500 -3.895 1.00 34.31 H new ATOM 0 HH21 ARG A 10 -8.811 11.310 -2.409 1.00 14.35 H new ATOM 0 HH22 ARG A 10 -9.673 12.568 -3.301 1.00 14.35 H new ATOM 159 N CYS A 11 -1.579 10.486 -0.370 1.00 33.35 N ATOM 160 CA CYS A 11 -1.149 9.245 -0.974 1.00 42.11 C ATOM 161 C CYS A 11 -2.189 8.152 -0.801 1.00 13.10 C ATOM 162 O CYS A 11 -3.025 8.202 0.107 1.00 32.13 O ATOM 163 CB CYS A 11 0.188 8.796 -0.382 1.00 22.45 C ATOM 164 SG CYS A 11 1.541 9.968 -0.635 1.00 74.22 S ATOM 0 H CYS A 11 -1.882 10.406 0.601 1.00 33.35 H new ATOM 0 HA CYS A 11 -1.023 9.425 -2.042 1.00 42.11 H new ATOM 0 HB2 CYS A 11 0.061 8.630 0.688 1.00 22.45 H new ATOM 0 HB3 CYS A 11 0.465 7.838 -0.823 1.00 22.45 H new ATOM 0 HG CYS A 11 2.667 9.322 -0.705 1.00 74.22 H new ATOM 170 N SER A 12 -2.147 7.188 -1.686 1.00 41.41 N ATOM 171 CA SER A 12 -3.017 6.045 -1.624 1.00 52.43 C ATOM 172 C SER A 12 -2.199 4.838 -1.158 1.00 73.21 C ATOM 173 O SER A 12 -0.988 4.778 -1.404 1.00 35.12 O ATOM 174 CB SER A 12 -3.639 5.796 -2.997 1.00 44.20 C ATOM 175 OG SER A 12 -4.233 6.989 -3.502 1.00 34.25 O ATOM 0 H SER A 12 -1.502 7.176 -2.476 1.00 41.41 H new ATOM 0 HA SER A 12 -3.829 6.218 -0.918 1.00 52.43 H new ATOM 0 HB2 SER A 12 -2.875 5.442 -3.690 1.00 44.20 H new ATOM 0 HB3 SER A 12 -4.392 5.011 -2.924 1.00 44.20 H new ATOM 0 HG SER A 12 -3.530 7.622 -3.758 1.00 34.25 H new ATOM 181 N HIS A 13 -2.835 3.888 -0.489 1.00 72.14 N ATOM 182 CA HIS A 13 -2.099 2.765 0.077 1.00 21.44 C ATOM 183 C HIS A 13 -2.721 1.417 -0.264 1.00 73.23 C ATOM 184 O HIS A 13 -3.941 1.253 -0.245 1.00 71.41 O ATOM 185 CB HIS A 13 -1.968 2.912 1.612 1.00 44.11 C ATOM 186 CG HIS A 13 -3.240 2.675 2.400 1.00 34.13 C ATOM 187 ND1 HIS A 13 -3.289 1.895 3.533 1.00 32.21 N ATOM 188 CD2 HIS A 13 -4.500 3.143 2.222 1.00 53.54 C ATOM 189 CE1 HIS A 13 -4.519 1.891 4.015 1.00 53.32 C ATOM 190 NE2 HIS A 13 -5.272 2.642 3.238 1.00 33.33 N ATOM 0 H HIS A 13 -3.842 3.870 -0.326 1.00 72.14 H new ATOM 0 HA HIS A 13 -1.108 2.788 -0.377 1.00 21.44 H new ATOM 0 HB2 HIS A 13 -1.208 2.214 1.963 1.00 44.11 H new ATOM 0 HB3 HIS A 13 -1.605 3.916 1.834 1.00 44.11 H new ATOM 0 HD2 HIS A 13 -4.834 3.792 1.426 1.00 53.54 H new ATOM 0 HE1 HIS A 13 -4.851 1.362 4.896 1.00 53.32 H new ATOM 0 HE2 HIS A 13 -6.267 2.822 3.371 1.00 33.33 H new ATOM 199 N LEU A 14 -1.867 0.469 -0.580 1.00 2.34 N ATOM 200 CA LEU A 14 -2.275 -0.899 -0.810 1.00 0.20 C ATOM 201 C LEU A 14 -1.577 -1.776 0.211 1.00 54.50 C ATOM 202 O LEU A 14 -0.367 -1.658 0.407 1.00 73.54 O ATOM 203 CB LEU A 14 -1.898 -1.349 -2.226 1.00 53.00 C ATOM 204 CG LEU A 14 -2.379 -2.748 -2.626 1.00 20.04 C ATOM 205 CD1 LEU A 14 -3.881 -2.771 -2.794 1.00 23.24 C ATOM 206 CD2 LEU A 14 -1.693 -3.208 -3.896 1.00 21.31 C ATOM 0 H LEU A 14 -0.865 0.626 -0.685 1.00 2.34 H new ATOM 0 HA LEU A 14 -3.357 -0.980 -0.710 1.00 0.20 H new ATOM 0 HB2 LEU A 14 -2.302 -0.628 -2.937 1.00 53.00 H new ATOM 0 HB3 LEU A 14 -0.813 -1.316 -2.321 1.00 53.00 H new ATOM 0 HG LEU A 14 -2.115 -3.439 -1.825 1.00 20.04 H new ATOM 0 HD11 LEU A 14 -4.200 -3.774 -3.078 1.00 23.24 H new ATOM 0 HD12 LEU A 14 -4.357 -2.491 -1.854 1.00 23.24 H new ATOM 0 HD13 LEU A 14 -4.171 -2.064 -3.571 1.00 23.24 H new ATOM 0 HD21 LEU A 14 -2.049 -4.203 -4.162 1.00 21.31 H new ATOM 0 HD22 LEU A 14 -1.920 -2.513 -4.705 1.00 21.31 H new ATOM 0 HD23 LEU A 14 -0.615 -3.239 -3.737 1.00 21.31 H new ATOM 218 N LEU A 15 -2.324 -2.625 0.878 1.00 1.44 N ATOM 219 CA LEU A 15 -1.743 -3.482 1.893 1.00 15.14 C ATOM 220 C LEU A 15 -2.128 -4.935 1.670 1.00 15.43 C ATOM 221 O LEU A 15 -3.317 -5.284 1.647 1.00 75.21 O ATOM 222 CB LEU A 15 -2.149 -3.007 3.297 1.00 0.21 C ATOM 223 CG LEU A 15 -1.599 -3.825 4.475 1.00 15.43 C ATOM 224 CD1 LEU A 15 -0.099 -3.988 4.357 1.00 43.12 C ATOM 225 CD2 LEU A 15 -1.943 -3.155 5.797 1.00 12.42 C ATOM 0 H LEU A 15 -3.328 -2.743 0.740 1.00 1.44 H new ATOM 0 HA LEU A 15 -0.658 -3.416 1.814 1.00 15.14 H new ATOM 0 HB2 LEU A 15 -1.824 -1.973 3.416 1.00 0.21 H new ATOM 0 HB3 LEU A 15 -3.237 -3.008 3.358 1.00 0.21 H new ATOM 0 HG LEU A 15 -2.063 -4.811 4.448 1.00 15.43 H new ATOM 0 HD11 LEU A 15 0.271 -4.570 5.201 1.00 43.12 H new ATOM 0 HD12 LEU A 15 0.139 -4.505 3.427 1.00 43.12 H new ATOM 0 HD13 LEU A 15 0.375 -3.006 4.358 1.00 43.12 H new ATOM 0 HD21 LEU A 15 -1.545 -3.749 6.620 1.00 12.42 H new ATOM 0 HD22 LEU A 15 -1.505 -2.157 5.824 1.00 12.42 H new ATOM 0 HD23 LEU A 15 -3.026 -3.078 5.895 1.00 12.42 H new ATOM 237 N VAL A 16 -1.120 -5.766 1.481 1.00 63.14 N ATOM 238 CA VAL A 16 -1.305 -7.191 1.263 1.00 73.23 C ATOM 239 C VAL A 16 -0.692 -7.973 2.422 1.00 54.05 C ATOM 240 O VAL A 16 0.445 -7.717 2.816 1.00 31.41 O ATOM 241 CB VAL A 16 -0.645 -7.636 -0.067 1.00 51.41 C ATOM 242 CG1 VAL A 16 -0.868 -9.119 -0.324 1.00 41.13 C ATOM 243 CG2 VAL A 16 -1.174 -6.809 -1.228 1.00 51.52 C ATOM 0 H VAL A 16 -0.144 -5.471 1.474 1.00 63.14 H new ATOM 0 HA VAL A 16 -2.374 -7.394 1.206 1.00 73.23 H new ATOM 0 HB VAL A 16 0.429 -7.468 0.020 1.00 51.41 H new ATOM 0 HG11 VAL A 16 -0.393 -9.401 -1.264 1.00 41.13 H new ATOM 0 HG12 VAL A 16 -0.433 -9.699 0.490 1.00 41.13 H new ATOM 0 HG13 VAL A 16 -1.937 -9.321 -0.383 1.00 41.13 H new ATOM 0 HG21 VAL A 16 -0.699 -7.136 -2.153 1.00 51.52 H new ATOM 0 HG22 VAL A 16 -2.253 -6.941 -1.307 1.00 51.52 H new ATOM 0 HG23 VAL A 16 -0.949 -5.756 -1.057 1.00 51.52 H new ATOM 253 N LYS A 17 -1.443 -8.911 2.964 1.00 42.24 N ATOM 254 CA LYS A 17 -0.988 -9.700 4.107 1.00 3.54 C ATOM 255 C LYS A 17 -0.076 -10.844 3.672 1.00 42.44 C ATOM 256 O LYS A 17 -0.038 -11.215 2.496 1.00 55.43 O ATOM 257 CB LYS A 17 -2.188 -10.284 4.855 1.00 3.32 C ATOM 258 CG LYS A 17 -3.067 -9.269 5.559 1.00 51.51 C ATOM 259 CD LYS A 17 -2.451 -8.785 6.858 1.00 20.52 C ATOM 260 CE LYS A 17 -3.435 -7.928 7.641 1.00 1.34 C ATOM 261 NZ LYS A 17 -4.665 -8.684 8.014 1.00 41.52 N ATOM 0 H LYS A 17 -2.378 -9.151 2.634 1.00 42.24 H new ATOM 0 HA LYS A 17 -0.426 -9.032 4.760 1.00 3.54 H new ATOM 0 HB2 LYS A 17 -2.801 -10.842 4.147 1.00 3.32 H new ATOM 0 HB3 LYS A 17 -1.823 -10.998 5.593 1.00 3.32 H new ATOM 0 HG2 LYS A 17 -3.237 -8.418 4.900 1.00 51.51 H new ATOM 0 HG3 LYS A 17 -4.041 -9.713 5.764 1.00 51.51 H new ATOM 0 HD2 LYS A 17 -2.147 -9.640 7.462 1.00 20.52 H new ATOM 0 HD3 LYS A 17 -1.550 -8.209 6.645 1.00 20.52 H new ATOM 0 HE2 LYS A 17 -2.952 -7.555 8.544 1.00 1.34 H new ATOM 0 HE3 LYS A 17 -3.711 -7.058 7.045 1.00 1.34 H new ATOM 0 HZ1 LYS A 17 -5.185 -8.161 8.748 1.00 41.52 H new ATOM 0 HZ2 LYS A 17 -5.270 -8.798 7.176 1.00 41.52 H new ATOM 0 HZ3 LYS A 17 -4.399 -9.621 8.379 1.00 41.52 H new ATOM 275 N HIS A 18 0.652 -11.398 4.631 1.00 51.24 N ATOM 276 CA HIS A 18 1.504 -12.550 4.387 1.00 3.13 C ATOM 277 C HIS A 18 1.485 -13.479 5.597 1.00 50.52 C ATOM 278 O HIS A 18 1.098 -13.059 6.682 1.00 4.40 O ATOM 279 CB HIS A 18 2.951 -12.141 4.003 1.00 13.13 C ATOM 280 CG HIS A 18 3.715 -11.366 5.051 1.00 62.42 C ATOM 281 ND1 HIS A 18 4.591 -11.956 5.932 1.00 70.44 N ATOM 282 CD2 HIS A 18 3.759 -10.041 5.318 1.00 21.21 C ATOM 283 CE1 HIS A 18 5.139 -11.030 6.696 1.00 64.44 C ATOM 284 NE2 HIS A 18 4.654 -9.861 6.346 1.00 71.12 N ATOM 0 H HIS A 18 0.668 -11.063 5.594 1.00 51.24 H new ATOM 0 HA HIS A 18 1.102 -13.088 3.528 1.00 3.13 H new ATOM 0 HB2 HIS A 18 3.513 -13.044 3.765 1.00 13.13 H new ATOM 0 HB3 HIS A 18 2.910 -11.542 3.093 1.00 13.13 H new ATOM 0 HD2 HIS A 18 3.196 -9.268 4.817 1.00 21.21 H new ATOM 0 HE1 HIS A 18 5.864 -11.204 7.477 1.00 64.44 H new ATOM 0 HE2 HIS A 18 4.901 -8.966 6.768 1.00 71.12 H new ATOM 293 N SER A 19 1.891 -14.739 5.380 1.00 15.44 N ATOM 294 CA SER A 19 1.901 -15.804 6.407 1.00 22.21 C ATOM 295 C SER A 19 2.261 -15.281 7.804 1.00 14.12 C ATOM 296 O SER A 19 1.454 -15.387 8.732 1.00 5.22 O ATOM 297 CB SER A 19 2.865 -16.921 5.987 1.00 12.33 C ATOM 298 OG SER A 19 2.896 -17.977 6.926 1.00 32.44 O ATOM 0 H SER A 19 2.228 -15.057 4.471 1.00 15.44 H new ATOM 0 HA SER A 19 0.887 -16.198 6.475 1.00 22.21 H new ATOM 0 HB2 SER A 19 2.566 -17.310 5.014 1.00 12.33 H new ATOM 0 HB3 SER A 19 3.868 -16.510 5.871 1.00 12.33 H new ATOM 0 HG SER A 19 3.520 -18.668 6.621 1.00 32.44 H new ATOM 304 N GLN A 20 3.462 -14.732 7.952 1.00 34.03 N ATOM 305 CA GLN A 20 3.880 -14.174 9.226 1.00 20.31 C ATOM 306 C GLN A 20 3.073 -12.916 9.530 1.00 62.02 C ATOM 307 O GLN A 20 3.410 -11.819 9.078 1.00 65.01 O ATOM 308 CB GLN A 20 5.379 -13.869 9.222 1.00 23.00 C ATOM 309 CG GLN A 20 5.914 -13.365 10.555 1.00 30.41 C ATOM 310 CD GLN A 20 7.410 -13.101 10.533 1.00 72.22 C ATOM 311 OE1 GLN A 20 7.905 -12.218 11.234 1.00 21.33 O ATOM 312 NE2 GLN A 20 8.141 -13.870 9.748 1.00 65.20 N ATOM 0 H GLN A 20 4.157 -14.663 7.209 1.00 34.03 H new ATOM 0 HA GLN A 20 3.693 -14.910 10.008 1.00 20.31 H new ATOM 0 HB2 GLN A 20 5.922 -14.772 8.943 1.00 23.00 H new ATOM 0 HB3 GLN A 20 5.585 -13.123 8.454 1.00 23.00 H new ATOM 0 HG2 GLN A 20 5.393 -12.447 10.826 1.00 30.41 H new ATOM 0 HG3 GLN A 20 5.691 -14.098 11.330 1.00 30.41 H new ATOM 0 HE21 GLN A 20 7.695 -14.591 9.182 1.00 65.20 H new ATOM 0 HE22 GLN A 20 9.152 -13.743 9.708 1.00 65.20 H new ATOM 321 N SER A 21 1.995 -13.094 10.253 1.00 14.53 N ATOM 322 CA SER A 21 1.116 -12.010 10.589 1.00 10.23 C ATOM 323 C SER A 21 0.556 -12.189 11.989 1.00 32.30 C ATOM 324 O SER A 21 0.301 -13.320 12.427 1.00 44.10 O ATOM 325 CB SER A 21 -0.033 -11.937 9.569 1.00 25.54 C ATOM 326 OG SER A 21 -0.966 -10.918 9.903 1.00 64.30 O ATOM 0 H SER A 21 1.705 -13.999 10.624 1.00 14.53 H new ATOM 0 HA SER A 21 1.683 -11.080 10.561 1.00 10.23 H new ATOM 0 HB2 SER A 21 0.373 -11.747 8.575 1.00 25.54 H new ATOM 0 HB3 SER A 21 -0.544 -12.899 9.526 1.00 25.54 H new ATOM 0 HG SER A 21 -1.682 -10.898 9.234 1.00 64.30 H new ATOM 332 N ARG A 22 0.369 -11.078 12.691 1.00 14.11 N ATOM 333 CA ARG A 22 -0.230 -11.111 14.020 1.00 43.32 C ATOM 334 C ARG A 22 -1.743 -11.296 13.925 1.00 2.42 C ATOM 335 O ARG A 22 -2.429 -11.470 14.935 1.00 65.32 O ATOM 336 CB ARG A 22 0.141 -9.860 14.856 1.00 72.43 C ATOM 337 CG ARG A 22 0.515 -8.618 14.048 1.00 23.45 C ATOM 338 CD ARG A 22 -0.668 -8.025 13.302 1.00 33.11 C ATOM 339 NE ARG A 22 -0.245 -6.954 12.399 1.00 75.42 N ATOM 340 CZ ARG A 22 -1.058 -6.046 11.857 1.00 33.34 C ATOM 341 NH1 ARG A 22 -2.357 -6.045 12.153 1.00 4.01 N ATOM 342 NH2 ARG A 22 -0.569 -5.130 11.026 1.00 11.51 N ATOM 0 H ARG A 22 0.622 -10.146 12.364 1.00 14.11 H new ATOM 0 HA ARG A 22 0.183 -11.971 14.547 1.00 43.32 H new ATOM 0 HB2 ARG A 22 -0.702 -9.612 15.501 1.00 72.43 H new ATOM 0 HB3 ARG A 22 0.977 -10.114 15.507 1.00 72.43 H new ATOM 0 HG2 ARG A 22 0.931 -7.865 14.718 1.00 23.45 H new ATOM 0 HG3 ARG A 22 1.297 -8.876 13.334 1.00 23.45 H new ATOM 0 HD2 ARG A 22 -1.170 -8.807 12.732 1.00 33.11 H new ATOM 0 HD3 ARG A 22 -1.393 -7.636 14.017 1.00 33.11 H new ATOM 0 HE ARG A 22 0.747 -6.898 12.166 1.00 75.42 H new ATOM 0 HH11 ARG A 22 -2.734 -6.741 12.797 1.00 4.01 H new ATOM 0 HH12 ARG A 22 -2.975 -5.349 11.736 1.00 4.01 H new ATOM 0 HH21 ARG A 22 0.426 -5.122 10.804 1.00 11.51 H new ATOM 0 HH22 ARG A 22 -1.189 -4.435 10.611 1.00 11.51 H new ATOM 356 N ARG A 23 -2.251 -11.261 12.702 1.00 2.14 N ATOM 357 CA ARG A 23 -3.655 -11.507 12.436 1.00 1.41 C ATOM 358 C ARG A 23 -3.819 -12.011 11.006 1.00 12.11 C ATOM 359 O ARG A 23 -3.778 -11.228 10.049 1.00 2.32 O ATOM 360 CB ARG A 23 -4.499 -10.252 12.677 1.00 61.24 C ATOM 361 CG ARG A 23 -6.000 -10.507 12.620 1.00 74.33 C ATOM 362 CD ARG A 23 -6.786 -9.340 13.190 1.00 12.23 C ATOM 363 NE ARG A 23 -6.444 -9.082 14.592 1.00 13.50 N ATOM 364 CZ ARG A 23 -7.210 -8.399 15.444 1.00 74.35 C ATOM 365 NH1 ARG A 23 -8.377 -7.910 15.050 1.00 5.22 N ATOM 366 NH2 ARG A 23 -6.802 -8.201 16.692 1.00 60.33 N ATOM 0 H ARG A 23 -1.699 -11.061 11.868 1.00 2.14 H new ATOM 0 HA ARG A 23 -4.014 -12.270 13.127 1.00 1.41 H new ATOM 0 HB2 ARG A 23 -4.246 -9.836 13.652 1.00 61.24 H new ATOM 0 HB3 ARG A 23 -4.238 -9.500 11.932 1.00 61.24 H new ATOM 0 HG2 ARG A 23 -6.302 -10.680 11.587 1.00 74.33 H new ATOM 0 HG3 ARG A 23 -6.237 -11.413 13.177 1.00 74.33 H new ATOM 0 HD2 ARG A 23 -6.589 -8.446 12.598 1.00 12.23 H new ATOM 0 HD3 ARG A 23 -7.853 -9.547 13.109 1.00 12.23 H new ATOM 0 HE ARG A 23 -5.559 -9.450 14.940 1.00 13.50 H new ATOM 0 HH11 ARG A 23 -8.693 -8.055 14.091 1.00 5.22 H new ATOM 0 HH12 ARG A 23 -8.959 -7.388 15.706 1.00 5.22 H new ATOM 0 HH21 ARG A 23 -5.903 -8.571 16.999 1.00 60.33 H new ATOM 0 HH22 ARG A 23 -7.388 -7.679 17.343 1.00 60.33 H new ATOM 380 N PRO A 24 -3.975 -13.331 10.844 1.00 73.13 N ATOM 381 CA PRO A 24 -4.077 -13.971 9.539 1.00 43.02 C ATOM 382 C PRO A 24 -5.512 -14.060 9.032 1.00 3.42 C ATOM 383 O PRO A 24 -5.828 -14.898 8.192 1.00 40.33 O ATOM 384 CB PRO A 24 -3.535 -15.364 9.824 1.00 44.33 C ATOM 385 CG PRO A 24 -3.982 -15.656 11.219 1.00 1.05 C ATOM 386 CD PRO A 24 -4.064 -14.324 11.937 1.00 65.10 C ATOM 0 HA PRO A 24 -3.545 -13.419 8.764 1.00 43.02 H new ATOM 0 HB2 PRO A 24 -3.929 -16.096 9.119 1.00 44.33 H new ATOM 0 HB3 PRO A 24 -2.449 -15.393 9.740 1.00 44.33 H new ATOM 0 HG2 PRO A 24 -4.951 -16.156 11.219 1.00 1.05 H new ATOM 0 HG3 PRO A 24 -3.280 -16.323 11.719 1.00 1.05 H new ATOM 0 HD2 PRO A 24 -4.996 -14.225 12.493 1.00 65.10 H new ATOM 0 HD3 PRO A 24 -3.252 -14.205 12.654 1.00 65.10 H new ATOM 394 N SER A 25 -6.366 -13.203 9.542 1.00 14.41 N ATOM 395 CA SER A 25 -7.747 -13.190 9.134 1.00 1.43 C ATOM 396 C SER A 25 -8.166 -11.786 8.713 1.00 11.54 C ATOM 397 O SER A 25 -8.506 -10.945 9.550 1.00 71.41 O ATOM 398 CB SER A 25 -8.635 -13.710 10.263 1.00 43.35 C ATOM 399 OG SER A 25 -8.193 -14.989 10.702 1.00 63.11 O ATOM 0 H SER A 25 -6.124 -12.503 10.244 1.00 14.41 H new ATOM 0 HA SER A 25 -7.866 -13.849 8.274 1.00 1.43 H new ATOM 0 HB2 SER A 25 -8.620 -13.008 11.097 1.00 43.35 H new ATOM 0 HB3 SER A 25 -9.668 -13.775 9.920 1.00 43.35 H new ATOM 0 HG SER A 25 -8.773 -15.305 11.426 1.00 63.11 H new ATOM 405 N SER A 26 -8.094 -11.532 7.427 1.00 62.13 N ATOM 406 CA SER A 26 -8.457 -10.248 6.867 1.00 73.25 C ATOM 407 C SER A 26 -9.923 -10.246 6.423 1.00 1.33 C ATOM 408 O SER A 26 -10.625 -11.244 6.577 1.00 0.05 O ATOM 409 CB SER A 26 -7.535 -9.919 5.696 1.00 54.51 C ATOM 410 OG SER A 26 -6.167 -9.906 6.108 1.00 31.34 O ATOM 0 H SER A 26 -7.781 -12.213 6.735 1.00 62.13 H new ATOM 0 HA SER A 26 -8.340 -9.481 7.633 1.00 73.25 H new ATOM 0 HB2 SER A 26 -7.672 -10.654 4.903 1.00 54.51 H new ATOM 0 HB3 SER A 26 -7.802 -8.948 5.280 1.00 54.51 H new ATOM 0 HG SER A 26 -5.901 -10.807 6.388 1.00 31.34 H new ATOM 415 N TRP A 27 -10.374 -9.132 5.857 1.00 1.33 N ATOM 416 CA TRP A 27 -11.774 -8.985 5.449 1.00 13.25 C ATOM 417 C TRP A 27 -12.158 -9.951 4.317 1.00 35.21 C ATOM 418 O TRP A 27 -13.338 -10.254 4.127 1.00 23.43 O ATOM 419 CB TRP A 27 -12.055 -7.537 5.000 1.00 24.43 C ATOM 420 CG TRP A 27 -11.601 -7.240 3.594 1.00 51.31 C ATOM 421 CD1 TRP A 27 -10.335 -6.957 3.179 1.00 51.10 C ATOM 422 CD2 TRP A 27 -12.423 -7.205 2.416 1.00 0.44 C ATOM 423 NE1 TRP A 27 -10.316 -6.761 1.825 1.00 22.12 N ATOM 424 CE2 TRP A 27 -11.585 -6.904 1.333 1.00 14.25 C ATOM 425 CE3 TRP A 27 -13.786 -7.401 2.178 1.00 64.33 C ATOM 426 CZ2 TRP A 27 -12.058 -6.794 0.029 1.00 32.05 C ATOM 427 CZ3 TRP A 27 -14.257 -7.291 0.883 1.00 41.53 C ATOM 428 CH2 TRP A 27 -13.394 -6.991 -0.177 1.00 51.34 C ATOM 0 H TRP A 27 -9.793 -8.315 5.668 1.00 1.33 H new ATOM 0 HA TRP A 27 -12.382 -9.229 6.320 1.00 13.25 H new ATOM 0 HB2 TRP A 27 -13.125 -7.344 5.075 1.00 24.43 H new ATOM 0 HB3 TRP A 27 -11.558 -6.850 5.685 1.00 24.43 H new ATOM 0 HD1 TRP A 27 -9.472 -6.896 3.825 1.00 51.10 H new ATOM 0 HE1 TRP A 27 -9.488 -6.543 1.271 1.00 22.12 H new ATOM 0 HE3 TRP A 27 -14.459 -7.634 2.990 1.00 64.33 H new ATOM 0 HZ2 TRP A 27 -11.393 -6.561 -0.790 1.00 32.05 H new ATOM 0 HZ3 TRP A 27 -15.309 -7.439 0.686 1.00 41.53 H new ATOM 0 HH2 TRP A 27 -13.792 -6.914 -1.178 1.00 51.34 H new ATOM 439 N ARG A 28 -11.166 -10.434 3.578 1.00 64.53 N ATOM 440 CA ARG A 28 -11.433 -11.276 2.415 1.00 20.22 C ATOM 441 C ARG A 28 -10.770 -12.652 2.515 1.00 15.31 C ATOM 442 O ARG A 28 -10.898 -13.465 1.596 1.00 23.35 O ATOM 443 CB ARG A 28 -10.939 -10.580 1.144 1.00 42.14 C ATOM 444 CG ARG A 28 -9.428 -10.407 1.105 1.00 73.54 C ATOM 445 CD ARG A 28 -8.945 -9.911 -0.245 1.00 4.44 C ATOM 446 NE ARG A 28 -7.486 -9.945 -0.327 1.00 65.42 N ATOM 447 CZ ARG A 28 -6.791 -10.087 -1.454 1.00 10.22 C ATOM 448 NH1 ARG A 28 -7.415 -10.185 -2.623 1.00 45.31 N ATOM 449 NH2 ARG A 28 -5.466 -10.130 -1.409 1.00 23.24 N ATOM 0 H ARG A 28 -10.178 -10.260 3.760 1.00 64.53 H new ATOM 0 HA ARG A 28 -12.512 -11.428 2.379 1.00 20.22 H new ATOM 0 HB2 ARG A 28 -11.255 -11.157 0.275 1.00 42.14 H new ATOM 0 HB3 ARG A 28 -11.413 -9.601 1.066 1.00 42.14 H new ATOM 0 HG2 ARG A 28 -9.124 -9.703 1.879 1.00 73.54 H new ATOM 0 HG3 ARG A 28 -8.949 -11.359 1.334 1.00 73.54 H new ATOM 0 HD2 ARG A 28 -9.371 -10.528 -1.036 1.00 4.44 H new ATOM 0 HD3 ARG A 28 -9.298 -8.893 -0.409 1.00 4.44 H new ATOM 0 HE ARG A 28 -6.962 -9.853 0.543 1.00 65.42 H new ATOM 0 HH11 ARG A 28 -8.434 -10.152 -2.662 1.00 45.31 H new ATOM 0 HH12 ARG A 28 -6.875 -10.294 -3.482 1.00 45.31 H new ATOM 0 HH21 ARG A 28 -4.983 -10.054 -0.514 1.00 23.24 H new ATOM 0 HH22 ARG A 28 -4.930 -10.239 -2.270 1.00 23.24 H new ATOM 463 N GLN A 29 -10.070 -12.925 3.607 1.00 71.12 N ATOM 464 CA GLN A 29 -9.359 -14.193 3.721 1.00 42.34 C ATOM 465 C GLN A 29 -9.172 -14.615 5.173 1.00 24.51 C ATOM 466 O GLN A 29 -9.376 -13.820 6.090 1.00 62.11 O ATOM 467 CB GLN A 29 -8.010 -14.125 2.928 1.00 54.34 C ATOM 468 CG GLN A 29 -6.712 -14.348 3.725 1.00 32.44 C ATOM 469 CD GLN A 29 -6.323 -13.167 4.597 1.00 31.42 C ATOM 470 OE1 GLN A 29 -6.669 -13.106 5.764 1.00 44.43 O ATOM 471 NE2 GLN A 29 -5.610 -12.219 4.027 1.00 34.40 N ATOM 0 H GLN A 29 -9.979 -12.303 4.410 1.00 71.12 H new ATOM 0 HA GLN A 29 -9.969 -14.975 3.268 1.00 42.34 H new ATOM 0 HB2 GLN A 29 -8.049 -14.868 2.131 1.00 54.34 H new ATOM 0 HB3 GLN A 29 -7.949 -13.148 2.449 1.00 54.34 H new ATOM 0 HG2 GLN A 29 -6.829 -15.230 4.354 1.00 32.44 H new ATOM 0 HG3 GLN A 29 -5.900 -14.558 3.029 1.00 32.44 H new ATOM 0 HE21 GLN A 29 -5.338 -12.304 3.048 1.00 34.40 H new ATOM 0 HE22 GLN A 29 -5.329 -11.399 4.565 1.00 34.40 H new ATOM 480 N GLU A 30 -8.817 -15.876 5.368 1.00 2.30 N ATOM 481 CA GLU A 30 -8.566 -16.416 6.687 1.00 45.20 C ATOM 482 C GLU A 30 -7.466 -17.465 6.591 1.00 13.10 C ATOM 483 O GLU A 30 -7.346 -18.136 5.556 1.00 73.22 O ATOM 484 CB GLU A 30 -9.841 -17.023 7.277 1.00 15.33 C ATOM 485 CG GLU A 30 -9.707 -17.442 8.731 1.00 25.12 C ATOM 486 CD GLU A 30 -10.994 -17.983 9.299 1.00 52.25 C ATOM 487 OE1 GLU A 30 -11.242 -19.196 9.166 1.00 0.51 O ATOM 488 OE2 GLU A 30 -11.769 -17.200 9.882 1.00 63.04 O ATOM 0 H GLU A 30 -8.696 -16.551 4.613 1.00 2.30 H new ATOM 0 HA GLU A 30 -8.246 -15.613 7.351 1.00 45.20 H new ATOM 0 HB2 GLU A 30 -10.650 -16.298 7.191 1.00 15.33 H new ATOM 0 HB3 GLU A 30 -10.127 -17.892 6.684 1.00 15.33 H new ATOM 0 HG2 GLU A 30 -8.929 -18.201 8.816 1.00 25.12 H new ATOM 0 HG3 GLU A 30 -9.384 -16.586 9.324 1.00 25.12 H new ATOM 495 N LYS A 31 -6.672 -17.597 7.668 1.00 64.30 N ATOM 496 CA LYS A 31 -5.517 -18.515 7.727 1.00 21.12 C ATOM 497 C LYS A 31 -4.660 -18.427 6.457 1.00 44.54 C ATOM 498 O LYS A 31 -4.773 -19.245 5.536 1.00 34.21 O ATOM 499 CB LYS A 31 -5.915 -19.977 8.084 1.00 62.34 C ATOM 500 CG LYS A 31 -6.961 -20.621 7.181 1.00 65.54 C ATOM 501 CD LYS A 31 -7.242 -22.053 7.603 1.00 3.10 C ATOM 502 CE LYS A 31 -8.287 -22.702 6.713 1.00 11.04 C ATOM 503 NZ LYS A 31 -8.533 -24.115 7.091 1.00 75.12 N ATOM 0 H LYS A 31 -6.813 -17.067 8.528 1.00 64.30 H new ATOM 0 HA LYS A 31 -4.895 -18.177 8.556 1.00 21.12 H new ATOM 0 HB2 LYS A 31 -5.016 -20.593 8.063 1.00 62.34 H new ATOM 0 HB3 LYS A 31 -6.288 -19.992 9.108 1.00 62.34 H new ATOM 0 HG2 LYS A 31 -7.883 -20.041 7.216 1.00 65.54 H new ATOM 0 HG3 LYS A 31 -6.614 -20.605 6.148 1.00 65.54 H new ATOM 0 HD2 LYS A 31 -6.319 -22.632 7.564 1.00 3.10 H new ATOM 0 HD3 LYS A 31 -7.584 -22.068 8.638 1.00 3.10 H new ATOM 0 HE2 LYS A 31 -9.219 -22.141 6.779 1.00 11.04 H new ATOM 0 HE3 LYS A 31 -7.959 -22.656 5.674 1.00 11.04 H new ATOM 0 HZ1 LYS A 31 -9.252 -24.523 6.460 1.00 75.12 H new ATOM 0 HZ2 LYS A 31 -7.649 -24.656 7.004 1.00 75.12 H new ATOM 0 HZ3 LYS A 31 -8.870 -24.158 8.074 1.00 75.12 H new ATOM 517 N ILE A 32 -3.825 -17.404 6.425 1.00 62.43 N ATOM 518 CA ILE A 32 -2.981 -17.094 5.276 1.00 55.22 C ATOM 519 C ILE A 32 -1.928 -18.173 5.018 1.00 3.20 C ATOM 520 O ILE A 32 -1.229 -18.609 5.938 1.00 13.22 O ATOM 521 CB ILE A 32 -2.262 -15.742 5.484 1.00 44.32 C ATOM 522 CG1 ILE A 32 -3.265 -14.664 5.889 1.00 32.41 C ATOM 523 CG2 ILE A 32 -1.521 -15.328 4.218 1.00 13.05 C ATOM 524 CD1 ILE A 32 -2.622 -13.353 6.272 1.00 74.12 C ATOM 0 H ILE A 32 -3.710 -16.755 7.203 1.00 62.43 H new ATOM 0 HA ILE A 32 -3.642 -17.045 4.411 1.00 55.22 H new ATOM 0 HB ILE A 32 -1.533 -15.860 6.286 1.00 44.32 H new ATOM 0 HG12 ILE A 32 -3.955 -14.493 5.063 1.00 32.41 H new ATOM 0 HG13 ILE A 32 -3.857 -15.028 6.729 1.00 32.41 H new ATOM 0 HG21 ILE A 32 -1.021 -14.374 4.385 1.00 13.05 H new ATOM 0 HG22 ILE A 32 -0.780 -16.087 3.966 1.00 13.05 H new ATOM 0 HG23 ILE A 32 -2.231 -15.227 3.397 1.00 13.05 H new ATOM 0 HD11 ILE A 32 -3.395 -12.636 6.548 1.00 74.12 H new ATOM 0 HD12 ILE A 32 -1.953 -13.509 7.118 1.00 74.12 H new ATOM 0 HD13 ILE A 32 -2.053 -12.966 5.427 1.00 74.12 H new ATOM 536 N THR A 33 -1.829 -18.595 3.770 1.00 34.35 N ATOM 537 CA THR A 33 -0.824 -19.552 3.355 1.00 25.22 C ATOM 538 C THR A 33 0.343 -18.832 2.687 1.00 74.11 C ATOM 539 O THR A 33 1.510 -19.123 2.963 1.00 61.42 O ATOM 540 CB THR A 33 -1.410 -20.582 2.374 1.00 31.13 C ATOM 541 OG1 THR A 33 -2.193 -19.910 1.374 1.00 1.32 O ATOM 542 CG2 THR A 33 -2.277 -21.591 3.101 1.00 44.12 C ATOM 0 H THR A 33 -2.443 -18.283 3.018 1.00 34.35 H new ATOM 0 HA THR A 33 -0.475 -20.075 4.245 1.00 25.22 H new ATOM 0 HB THR A 33 -0.583 -21.112 1.901 1.00 31.13 H new ATOM 0 HG1 THR A 33 -2.563 -20.569 0.750 1.00 1.32 H new ATOM 0 HG21 THR A 33 -2.679 -22.308 2.385 1.00 44.12 H new ATOM 0 HG22 THR A 33 -1.678 -22.117 3.844 1.00 44.12 H new ATOM 0 HG23 THR A 33 -3.098 -21.074 3.597 1.00 44.12 H new ATOM 550 N ARG A 34 0.008 -17.881 1.808 1.00 63.12 N ATOM 551 CA ARG A 34 1.005 -17.089 1.084 1.00 22.43 C ATOM 552 C ARG A 34 1.938 -16.360 2.038 1.00 63.01 C ATOM 553 O ARG A 34 1.534 -15.435 2.742 1.00 24.31 O ATOM 554 CB ARG A 34 0.322 -16.087 0.132 1.00 22.02 C ATOM 555 CG ARG A 34 -0.895 -15.391 0.728 1.00 22.41 C ATOM 556 CD ARG A 34 -1.456 -14.331 -0.205 1.00 1.21 C ATOM 557 NE ARG A 34 -2.855 -14.012 0.110 1.00 23.52 N ATOM 558 CZ ARG A 34 -3.303 -12.817 0.529 1.00 34.01 C ATOM 559 NH1 ARG A 34 -2.453 -11.827 0.786 1.00 24.23 N ATOM 560 NH2 ARG A 34 -4.604 -12.626 0.713 1.00 61.43 N ATOM 0 H ARG A 34 -0.957 -17.641 1.580 1.00 63.12 H new ATOM 0 HA ARG A 34 1.604 -17.781 0.492 1.00 22.43 H new ATOM 0 HB2 ARG A 34 1.049 -15.332 -0.165 1.00 22.02 H new ATOM 0 HB3 ARG A 34 0.019 -16.612 -0.774 1.00 22.02 H new ATOM 0 HG2 ARG A 34 -1.667 -16.130 0.943 1.00 22.41 H new ATOM 0 HG3 ARG A 34 -0.621 -14.931 1.677 1.00 22.41 H new ATOM 0 HD2 ARG A 34 -0.852 -13.427 -0.133 1.00 1.21 H new ATOM 0 HD3 ARG A 34 -1.386 -14.680 -1.235 1.00 1.21 H new ATOM 0 HE ARG A 34 -3.542 -14.758 0.002 1.00 23.52 H new ATOM 0 HH11 ARG A 34 -1.450 -11.971 0.665 1.00 24.23 H new ATOM 0 HH12 ARG A 34 -2.804 -10.923 1.104 1.00 24.23 H new ATOM 0 HH21 ARG A 34 -5.261 -13.386 0.536 1.00 61.43 H new ATOM 0 HH22 ARG A 34 -4.946 -11.719 1.031 1.00 61.43 H new ATOM 574 N THR A 35 3.180 -16.788 2.070 1.00 55.41 N ATOM 575 CA THR A 35 4.162 -16.178 2.930 1.00 31.42 C ATOM 576 C THR A 35 4.745 -14.913 2.271 1.00 31.21 C ATOM 577 O THR A 35 4.333 -14.539 1.177 1.00 25.33 O ATOM 578 CB THR A 35 5.279 -17.190 3.316 1.00 34.51 C ATOM 579 OG1 THR A 35 6.132 -16.636 4.322 1.00 14.22 O ATOM 580 CG2 THR A 35 6.098 -17.598 2.104 1.00 51.02 C ATOM 0 H THR A 35 3.533 -17.561 1.506 1.00 55.41 H new ATOM 0 HA THR A 35 3.668 -15.877 3.854 1.00 31.42 H new ATOM 0 HB THR A 35 4.795 -18.082 3.714 1.00 34.51 H new ATOM 0 HG1 THR A 35 6.973 -16.342 3.913 1.00 14.22 H new ATOM 0 HG21 THR A 35 6.870 -18.305 2.408 1.00 51.02 H new ATOM 0 HG22 THR A 35 5.447 -18.066 1.366 1.00 51.02 H new ATOM 0 HG23 THR A 35 6.566 -16.716 1.667 1.00 51.02 H new ATOM 588 N LYS A 36 5.692 -14.275 2.939 1.00 73.22 N ATOM 589 CA LYS A 36 6.277 -13.013 2.477 1.00 22.42 C ATOM 590 C LYS A 36 6.877 -13.132 1.070 1.00 2.23 C ATOM 591 O LYS A 36 6.667 -12.260 0.228 1.00 50.41 O ATOM 592 CB LYS A 36 7.325 -12.530 3.487 1.00 24.20 C ATOM 593 CG LYS A 36 8.009 -11.223 3.127 1.00 14.22 C ATOM 594 CD LYS A 36 8.868 -10.736 4.283 1.00 51.52 C ATOM 595 CE LYS A 36 9.722 -9.546 3.893 1.00 3.52 C ATOM 596 NZ LYS A 36 10.756 -9.915 2.897 1.00 43.13 N ATOM 0 H LYS A 36 6.082 -14.613 3.819 1.00 73.22 H new ATOM 0 HA LYS A 36 5.478 -12.275 2.410 1.00 22.42 H new ATOM 0 HB2 LYS A 36 6.845 -12.416 4.459 1.00 24.20 H new ATOM 0 HB3 LYS A 36 8.086 -13.303 3.596 1.00 24.20 H new ATOM 0 HG2 LYS A 36 8.627 -11.361 2.240 1.00 14.22 H new ATOM 0 HG3 LYS A 36 7.261 -10.470 2.880 1.00 14.22 H new ATOM 0 HD2 LYS A 36 8.227 -10.463 5.121 1.00 51.52 H new ATOM 0 HD3 LYS A 36 9.511 -11.547 4.624 1.00 51.52 H new ATOM 0 HE2 LYS A 36 9.086 -8.761 3.484 1.00 3.52 H new ATOM 0 HE3 LYS A 36 10.203 -9.136 4.781 1.00 3.52 H new ATOM 0 HZ1 LYS A 36 11.471 -9.161 2.843 1.00 43.13 H new ATOM 0 HZ2 LYS A 36 11.212 -10.805 3.183 1.00 43.13 H new ATOM 0 HZ3 LYS A 36 10.312 -10.038 1.965 1.00 43.13 H new ATOM 610 N GLU A 37 7.599 -14.216 0.821 1.00 73.20 N ATOM 611 CA GLU A 37 8.216 -14.439 -0.488 1.00 5.41 C ATOM 612 C GLU A 37 7.161 -14.652 -1.573 1.00 24.04 C ATOM 613 O GLU A 37 7.303 -14.168 -2.697 1.00 13.31 O ATOM 614 CB GLU A 37 9.149 -15.649 -0.443 1.00 10.54 C ATOM 615 CG GLU A 37 10.350 -15.476 0.466 1.00 64.14 C ATOM 616 CD GLU A 37 11.248 -16.689 0.459 1.00 3.42 C ATOM 617 OE1 GLU A 37 12.160 -16.748 -0.380 1.00 23.22 O ATOM 618 OE2 GLU A 37 11.040 -17.602 1.294 1.00 70.31 O ATOM 0 H GLU A 37 7.774 -14.955 1.502 1.00 73.20 H new ATOM 0 HA GLU A 37 8.791 -13.546 -0.733 1.00 5.41 H new ATOM 0 HB2 GLU A 37 8.581 -16.519 -0.114 1.00 10.54 H new ATOM 0 HB3 GLU A 37 9.500 -15.861 -1.453 1.00 10.54 H new ATOM 0 HG2 GLU A 37 10.920 -14.602 0.150 1.00 64.14 H new ATOM 0 HG3 GLU A 37 10.009 -15.284 1.483 1.00 64.14 H new ATOM 625 N GLU A 38 6.100 -15.360 -1.224 1.00 11.32 N ATOM 626 CA GLU A 38 5.042 -15.675 -2.174 1.00 50.10 C ATOM 627 C GLU A 38 4.154 -14.463 -2.417 1.00 14.34 C ATOM 628 O GLU A 38 3.612 -14.285 -3.508 1.00 33.42 O ATOM 629 CB GLU A 38 4.207 -16.852 -1.668 1.00 61.54 C ATOM 630 CG GLU A 38 5.039 -18.060 -1.260 1.00 72.34 C ATOM 631 CD GLU A 38 5.910 -18.592 -2.377 1.00 13.33 C ATOM 632 OE1 GLU A 38 7.002 -18.040 -2.599 1.00 44.15 O ATOM 633 OE2 GLU A 38 5.518 -19.582 -3.026 1.00 72.23 O ATOM 0 H GLU A 38 5.947 -15.730 -0.286 1.00 11.32 H new ATOM 0 HA GLU A 38 5.505 -15.954 -3.120 1.00 50.10 H new ATOM 0 HB2 GLU A 38 3.614 -16.525 -0.814 1.00 61.54 H new ATOM 0 HB3 GLU A 38 3.506 -17.151 -2.447 1.00 61.54 H new ATOM 0 HG2 GLU A 38 5.671 -17.788 -0.414 1.00 72.34 H new ATOM 0 HG3 GLU A 38 4.373 -18.853 -0.919 1.00 72.34 H new ATOM 640 N ALA A 39 4.026 -13.622 -1.398 1.00 35.01 N ATOM 641 CA ALA A 39 3.222 -12.412 -1.495 1.00 50.55 C ATOM 642 C ALA A 39 3.814 -11.452 -2.514 1.00 1.35 C ATOM 643 O ALA A 39 3.102 -10.630 -3.097 1.00 20.03 O ATOM 644 CB ALA A 39 3.105 -11.742 -0.134 1.00 52.42 C ATOM 0 H ALA A 39 4.472 -13.758 -0.491 1.00 35.01 H new ATOM 0 HA ALA A 39 2.223 -12.690 -1.831 1.00 50.55 H new ATOM 0 HB1 ALA A 39 2.501 -10.839 -0.224 1.00 52.42 H new ATOM 0 HB2 ALA A 39 2.631 -12.427 0.569 1.00 52.42 H new ATOM 0 HB3 ALA A 39 4.099 -11.479 0.229 1.00 52.42 H new ATOM 650 N LEU A 40 5.120 -11.574 -2.741 1.00 51.31 N ATOM 651 CA LEU A 40 5.820 -10.736 -3.705 1.00 62.14 C ATOM 652 C LEU A 40 5.271 -10.947 -5.101 1.00 71.24 C ATOM 653 O LEU A 40 5.245 -10.027 -5.901 1.00 13.14 O ATOM 654 CB LEU A 40 7.317 -11.024 -3.689 1.00 65.33 C ATOM 655 CG LEU A 40 8.040 -10.693 -2.387 1.00 1.01 C ATOM 656 CD1 LEU A 40 9.480 -11.164 -2.450 1.00 74.14 C ATOM 657 CD2 LEU A 40 7.979 -9.199 -2.105 1.00 72.13 C ATOM 0 H LEU A 40 5.716 -12.251 -2.265 1.00 51.31 H new ATOM 0 HA LEU A 40 5.660 -9.697 -3.418 1.00 62.14 H new ATOM 0 HB2 LEU A 40 7.467 -12.081 -3.908 1.00 65.33 H new ATOM 0 HB3 LEU A 40 7.785 -10.461 -4.497 1.00 65.33 H new ATOM 0 HG LEU A 40 7.539 -11.215 -1.572 1.00 1.01 H new ATOM 0 HD11 LEU A 40 9.984 -10.921 -1.514 1.00 74.14 H new ATOM 0 HD12 LEU A 40 9.504 -12.243 -2.605 1.00 74.14 H new ATOM 0 HD13 LEU A 40 9.989 -10.667 -3.276 1.00 74.14 H new ATOM 0 HD21 LEU A 40 8.500 -8.983 -1.172 1.00 72.13 H new ATOM 0 HD22 LEU A 40 8.455 -8.655 -2.921 1.00 72.13 H new ATOM 0 HD23 LEU A 40 6.938 -8.887 -2.020 1.00 72.13 H new ATOM 669 N GLU A 41 4.816 -12.160 -5.387 1.00 75.15 N ATOM 670 CA GLU A 41 4.251 -12.460 -6.690 1.00 14.13 C ATOM 671 C GLU A 41 2.990 -11.642 -6.921 1.00 1.21 C ATOM 672 O GLU A 41 2.710 -11.214 -8.043 1.00 62.10 O ATOM 673 CB GLU A 41 3.969 -13.952 -6.837 1.00 62.35 C ATOM 674 CG GLU A 41 5.224 -14.807 -6.817 1.00 12.02 C ATOM 675 CD GLU A 41 4.944 -16.260 -7.103 1.00 33.13 C ATOM 676 OE1 GLU A 41 4.657 -16.595 -8.270 1.00 4.51 O ATOM 677 OE2 GLU A 41 5.011 -17.077 -6.167 1.00 60.52 O ATOM 0 H GLU A 41 4.828 -12.946 -4.737 1.00 75.15 H new ATOM 0 HA GLU A 41 4.983 -12.187 -7.450 1.00 14.13 H new ATOM 0 HB2 GLU A 41 3.308 -14.271 -6.031 1.00 62.35 H new ATOM 0 HB3 GLU A 41 3.436 -14.123 -7.772 1.00 62.35 H new ATOM 0 HG2 GLU A 41 5.930 -14.426 -7.555 1.00 12.02 H new ATOM 0 HG3 GLU A 41 5.703 -14.719 -5.842 1.00 12.02 H new ATOM 684 N LEU A 42 2.244 -11.411 -5.857 1.00 41.30 N ATOM 685 CA LEU A 42 1.053 -10.590 -5.933 1.00 12.13 C ATOM 686 C LEU A 42 1.456 -9.128 -6.041 1.00 41.31 C ATOM 687 O LEU A 42 0.941 -8.394 -6.878 1.00 63.41 O ATOM 688 CB LEU A 42 0.144 -10.794 -4.700 1.00 2.22 C ATOM 689 CG LEU A 42 -0.599 -12.143 -4.591 1.00 3.41 C ATOM 690 CD1 LEU A 42 -1.403 -12.428 -5.850 1.00 24.52 C ATOM 691 CD2 LEU A 42 0.362 -13.286 -4.289 1.00 32.54 C ATOM 0 H LEU A 42 2.444 -11.782 -4.928 1.00 41.30 H new ATOM 0 HA LEU A 42 0.488 -10.888 -6.816 1.00 12.13 H new ATOM 0 HB2 LEU A 42 0.754 -10.670 -3.805 1.00 2.22 H new ATOM 0 HB3 LEU A 42 -0.599 -9.997 -4.692 1.00 2.22 H new ATOM 0 HG LEU A 42 -1.295 -12.067 -3.756 1.00 3.41 H new ATOM 0 HD11 LEU A 42 -1.916 -13.384 -5.746 1.00 24.52 H new ATOM 0 HD12 LEU A 42 -2.138 -11.637 -6.000 1.00 24.52 H new ATOM 0 HD13 LEU A 42 -0.733 -12.468 -6.709 1.00 24.52 H new ATOM 0 HD21 LEU A 42 -0.195 -14.221 -4.219 1.00 32.54 H new ATOM 0 HD22 LEU A 42 1.100 -13.362 -5.088 1.00 32.54 H new ATOM 0 HD23 LEU A 42 0.870 -13.094 -3.344 1.00 32.54 H new ATOM 703 N ILE A 43 2.405 -8.729 -5.193 1.00 2.22 N ATOM 704 CA ILE A 43 2.914 -7.356 -5.167 1.00 21.01 C ATOM 705 C ILE A 43 3.468 -6.951 -6.530 1.00 70.14 C ATOM 706 O ILE A 43 3.018 -5.969 -7.123 1.00 1.22 O ATOM 707 CB ILE A 43 4.024 -7.191 -4.095 1.00 33.23 C ATOM 708 CG1 ILE A 43 3.468 -7.476 -2.693 1.00 12.32 C ATOM 709 CG2 ILE A 43 4.642 -5.799 -4.154 1.00 30.31 C ATOM 710 CD1 ILE A 43 2.345 -6.547 -2.273 1.00 4.23 C ATOM 0 H ILE A 43 2.841 -9.345 -4.507 1.00 2.22 H new ATOM 0 HA ILE A 43 2.076 -6.707 -4.914 1.00 21.01 H new ATOM 0 HB ILE A 43 4.809 -7.916 -4.310 1.00 33.23 H new ATOM 0 HG12 ILE A 43 3.107 -8.504 -2.659 1.00 12.32 H new ATOM 0 HG13 ILE A 43 4.279 -7.399 -1.969 1.00 12.32 H new ATOM 0 HG21 ILE A 43 5.416 -5.712 -3.392 1.00 30.31 H new ATOM 0 HG22 ILE A 43 5.082 -5.638 -5.138 1.00 30.31 H new ATOM 0 HG23 ILE A 43 3.870 -5.050 -3.974 1.00 30.31 H new ATOM 0 HD11 ILE A 43 2.007 -6.814 -1.272 1.00 4.23 H new ATOM 0 HD12 ILE A 43 2.705 -5.518 -2.273 1.00 4.23 H new ATOM 0 HD13 ILE A 43 1.515 -6.641 -2.973 1.00 4.23 H new ATOM 722 N ASN A 44 4.436 -7.720 -7.021 1.00 61.21 N ATOM 723 CA ASN A 44 5.052 -7.459 -8.322 1.00 74.40 C ATOM 724 C ASN A 44 4.001 -7.447 -9.415 1.00 24.13 C ATOM 725 O ASN A 44 4.034 -6.603 -10.314 1.00 61.14 O ATOM 726 CB ASN A 44 6.126 -8.509 -8.645 1.00 53.01 C ATOM 727 CG ASN A 44 7.355 -8.407 -7.755 1.00 15.13 C ATOM 728 OD1 ASN A 44 7.280 -7.967 -6.606 1.00 14.33 O ATOM 729 ND2 ASN A 44 8.493 -8.825 -8.275 1.00 4.31 N ATOM 0 H ASN A 44 4.814 -8.534 -6.536 1.00 61.21 H new ATOM 0 HA ASN A 44 5.528 -6.480 -8.274 1.00 74.40 H new ATOM 0 HB2 ASN A 44 5.693 -9.504 -8.542 1.00 53.01 H new ATOM 0 HB3 ASN A 44 6.430 -8.399 -9.686 1.00 53.01 H new ATOM 0 HD21 ASN A 44 9.350 -8.790 -7.722 1.00 4.31 H new ATOM 0 HD22 ASN A 44 8.516 -9.183 -9.230 1.00 4.31 H new ATOM 736 N GLY A 45 3.051 -8.379 -9.319 1.00 64.12 N ATOM 737 CA GLY A 45 1.976 -8.450 -10.285 1.00 43.41 C ATOM 738 C GLY A 45 1.186 -7.164 -10.333 1.00 74.13 C ATOM 739 O GLY A 45 0.904 -6.640 -11.411 1.00 52.05 O ATOM 0 H GLY A 45 3.012 -9.086 -8.585 1.00 64.12 H new ATOM 0 HA2 GLY A 45 2.387 -8.663 -11.272 1.00 43.41 H new ATOM 0 HA3 GLY A 45 1.312 -9.276 -10.031 1.00 43.41 H new ATOM 743 N TYR A 46 0.843 -6.643 -9.159 1.00 1.12 N ATOM 744 CA TYR A 46 0.117 -5.388 -9.064 1.00 25.53 C ATOM 745 C TYR A 46 0.931 -4.263 -9.677 1.00 4.30 C ATOM 746 O TYR A 46 0.449 -3.542 -10.537 1.00 31.52 O ATOM 747 CB TYR A 46 -0.205 -5.040 -7.606 1.00 24.44 C ATOM 748 CG TYR A 46 -1.112 -6.026 -6.901 1.00 34.12 C ATOM 749 CD1 TYR A 46 -2.136 -6.681 -7.576 1.00 10.05 C ATOM 750 CD2 TYR A 46 -0.944 -6.296 -5.550 1.00 35.13 C ATOM 751 CE1 TYR A 46 -2.961 -7.573 -6.923 1.00 25.43 C ATOM 752 CE2 TYR A 46 -1.766 -7.183 -4.893 1.00 15.13 C ATOM 753 CZ TYR A 46 -2.770 -7.820 -5.580 1.00 50.31 C ATOM 754 OH TYR A 46 -3.591 -8.701 -4.922 1.00 31.03 O ATOM 0 H TYR A 46 1.058 -7.074 -8.260 1.00 1.12 H new ATOM 0 HA TYR A 46 -0.819 -5.506 -9.610 1.00 25.53 H new ATOM 0 HB2 TYR A 46 0.730 -4.967 -7.050 1.00 24.44 H new ATOM 0 HB3 TYR A 46 -0.671 -4.055 -7.577 1.00 24.44 H new ATOM 0 HD1 TYR A 46 -2.288 -6.488 -8.628 1.00 10.05 H new ATOM 0 HD2 TYR A 46 -0.154 -5.801 -5.005 1.00 35.13 H new ATOM 0 HE1 TYR A 46 -3.752 -8.075 -7.461 1.00 25.43 H new ATOM 0 HE2 TYR A 46 -1.622 -7.377 -3.840 1.00 15.13 H new ATOM 0 HH TYR A 46 -3.320 -8.761 -3.982 1.00 31.03 H new ATOM 764 N ILE A 47 2.181 -4.142 -9.237 1.00 52.51 N ATOM 765 CA ILE A 47 3.083 -3.093 -9.710 1.00 4.43 C ATOM 766 C ILE A 47 3.161 -3.065 -11.242 1.00 44.50 C ATOM 767 O ILE A 47 3.052 -2.002 -11.862 1.00 21.00 O ATOM 768 CB ILE A 47 4.509 -3.269 -9.118 1.00 74.23 C ATOM 769 CG1 ILE A 47 4.468 -3.152 -7.587 1.00 1.22 C ATOM 770 CG2 ILE A 47 5.476 -2.247 -9.706 1.00 2.44 C ATOM 771 CD1 ILE A 47 5.811 -3.374 -6.917 1.00 71.13 C ATOM 0 H ILE A 47 2.597 -4.765 -8.545 1.00 52.51 H new ATOM 0 HA ILE A 47 2.672 -2.144 -9.366 1.00 4.43 H new ATOM 0 HB ILE A 47 4.868 -4.263 -9.384 1.00 74.23 H new ATOM 0 HG12 ILE A 47 4.098 -2.163 -7.318 1.00 1.22 H new ATOM 0 HG13 ILE A 47 3.754 -3.877 -7.196 1.00 1.22 H new ATOM 0 HG21 ILE A 47 6.466 -2.393 -9.274 1.00 2.44 H new ATOM 0 HG22 ILE A 47 5.529 -2.376 -10.787 1.00 2.44 H new ATOM 0 HG23 ILE A 47 5.125 -1.241 -9.477 1.00 2.44 H new ATOM 0 HD11 ILE A 47 5.700 -3.275 -5.837 1.00 71.13 H new ATOM 0 HD12 ILE A 47 6.175 -4.374 -7.154 1.00 71.13 H new ATOM 0 HD13 ILE A 47 6.524 -2.633 -7.278 1.00 71.13 H new ATOM 783 N GLN A 48 3.316 -4.231 -11.844 1.00 5.43 N ATOM 784 CA GLN A 48 3.420 -4.332 -13.299 1.00 54.23 C ATOM 785 C GLN A 48 2.105 -3.952 -13.988 1.00 3.51 C ATOM 786 O GLN A 48 2.111 -3.446 -15.106 1.00 51.01 O ATOM 787 CB GLN A 48 3.859 -5.744 -13.713 1.00 64.22 C ATOM 788 CG GLN A 48 5.221 -6.146 -13.160 1.00 34.41 C ATOM 789 CD GLN A 48 6.337 -5.218 -13.606 1.00 73.22 C ATOM 790 OE1 GLN A 48 6.601 -4.200 -12.972 1.00 43.04 O ATOM 791 NE2 GLN A 48 7.009 -5.570 -14.683 1.00 71.11 N ATOM 0 H GLN A 48 3.373 -5.123 -11.353 1.00 5.43 H new ATOM 0 HA GLN A 48 4.179 -3.621 -13.625 1.00 54.23 H new ATOM 0 HB2 GLN A 48 3.112 -6.462 -13.374 1.00 64.22 H new ATOM 0 HB3 GLN A 48 3.886 -5.803 -14.801 1.00 64.22 H new ATOM 0 HG2 GLN A 48 5.177 -6.156 -12.071 1.00 34.41 H new ATOM 0 HG3 GLN A 48 5.451 -7.163 -13.479 1.00 34.41 H new ATOM 0 HE21 GLN A 48 6.760 -6.423 -15.183 1.00 71.11 H new ATOM 0 HE22 GLN A 48 7.778 -4.989 -15.017 1.00 71.11 H new ATOM 800 N LYS A 49 0.990 -4.171 -13.305 1.00 51.45 N ATOM 801 CA LYS A 49 -0.330 -3.871 -13.861 1.00 42.51 C ATOM 802 C LYS A 49 -0.736 -2.411 -13.637 1.00 3.20 C ATOM 803 O LYS A 49 -1.433 -1.817 -14.462 1.00 51.42 O ATOM 804 CB LYS A 49 -1.371 -4.808 -13.270 1.00 12.31 C ATOM 805 CG LYS A 49 -1.320 -6.206 -13.853 1.00 74.42 C ATOM 806 CD LYS A 49 -2.229 -7.153 -13.100 1.00 32.34 C ATOM 807 CE LYS A 49 -2.645 -8.321 -13.972 1.00 31.33 C ATOM 808 NZ LYS A 49 -3.458 -7.870 -15.126 1.00 73.15 N ATOM 0 H LYS A 49 0.969 -4.557 -12.361 1.00 51.45 H new ATOM 0 HA LYS A 49 -0.274 -4.026 -14.938 1.00 42.51 H new ATOM 0 HB2 LYS A 49 -1.226 -4.866 -12.191 1.00 12.31 H new ATOM 0 HB3 LYS A 49 -2.363 -4.389 -13.436 1.00 12.31 H new ATOM 0 HG2 LYS A 49 -1.614 -6.175 -14.902 1.00 74.42 H new ATOM 0 HG3 LYS A 49 -0.296 -6.579 -13.819 1.00 74.42 H new ATOM 0 HD2 LYS A 49 -1.718 -7.523 -12.211 1.00 32.34 H new ATOM 0 HD3 LYS A 49 -3.114 -6.617 -12.758 1.00 32.34 H new ATOM 0 HE2 LYS A 49 -1.758 -8.843 -14.331 1.00 31.33 H new ATOM 0 HE3 LYS A 49 -3.217 -9.035 -13.379 1.00 31.33 H new ATOM 0 HZ1 LYS A 49 -4.027 -8.665 -15.481 1.00 73.15 H new ATOM 0 HZ2 LYS A 49 -4.089 -7.099 -14.826 1.00 73.15 H new ATOM 0 HZ3 LYS A 49 -2.830 -7.529 -15.881 1.00 73.15 H new ATOM 822 N ILE A 50 -0.308 -1.845 -12.527 1.00 25.13 N ATOM 823 CA ILE A 50 -0.610 -0.453 -12.209 1.00 10.54 C ATOM 824 C ILE A 50 0.086 0.482 -13.197 1.00 31.14 C ATOM 825 O ILE A 50 -0.485 1.488 -13.632 1.00 31.23 O ATOM 826 CB ILE A 50 -0.170 -0.105 -10.764 1.00 12.11 C ATOM 827 CG1 ILE A 50 -0.939 -0.966 -9.759 1.00 33.34 C ATOM 828 CG2 ILE A 50 -0.393 1.378 -10.473 1.00 54.32 C ATOM 829 CD1 ILE A 50 -0.327 -0.978 -8.377 1.00 63.34 C ATOM 0 H ILE A 50 0.253 -2.325 -11.823 1.00 25.13 H new ATOM 0 HA ILE A 50 -1.689 -0.319 -12.286 1.00 10.54 H new ATOM 0 HB ILE A 50 0.895 -0.315 -10.667 1.00 12.11 H new ATOM 0 HG12 ILE A 50 -1.964 -0.601 -9.690 1.00 33.34 H new ATOM 0 HG13 ILE A 50 -0.990 -1.988 -10.133 1.00 33.34 H new ATOM 0 HG21 ILE A 50 -0.077 1.600 -9.454 1.00 54.32 H new ATOM 0 HG22 ILE A 50 0.190 1.978 -11.172 1.00 54.32 H new ATOM 0 HG23 ILE A 50 -1.451 1.616 -10.585 1.00 54.32 H new ATOM 0 HD11 ILE A 50 -0.926 -1.608 -7.719 1.00 63.34 H new ATOM 0 HD12 ILE A 50 0.688 -1.372 -8.432 1.00 63.34 H new ATOM 0 HD13 ILE A 50 -0.301 0.037 -7.982 1.00 63.34 H new ATOM 841 N LYS A 51 1.307 0.126 -13.570 1.00 54.30 N ATOM 842 CA LYS A 51 2.091 0.932 -14.494 1.00 54.14 C ATOM 843 C LYS A 51 1.558 0.835 -15.922 1.00 73.04 C ATOM 844 O LYS A 51 1.721 1.760 -16.716 1.00 22.31 O ATOM 845 CB LYS A 51 3.563 0.528 -14.444 1.00 1.54 C ATOM 846 CG LYS A 51 4.223 0.786 -13.095 1.00 13.42 C ATOM 847 CD LYS A 51 5.687 0.366 -13.091 1.00 13.21 C ATOM 848 CE LYS A 51 5.841 -1.123 -13.344 1.00 14.44 C ATOM 849 NZ LYS A 51 7.258 -1.554 -13.305 1.00 12.25 N ATOM 0 H LYS A 51 1.777 -0.719 -13.245 1.00 54.30 H new ATOM 0 HA LYS A 51 2.001 1.972 -14.179 1.00 54.14 H new ATOM 0 HB2 LYS A 51 3.648 -0.532 -14.683 1.00 1.54 H new ATOM 0 HB3 LYS A 51 4.107 1.074 -15.215 1.00 1.54 H new ATOM 0 HG2 LYS A 51 4.148 1.846 -12.851 1.00 13.42 H new ATOM 0 HG3 LYS A 51 3.687 0.241 -12.318 1.00 13.42 H new ATOM 0 HD2 LYS A 51 6.228 0.924 -13.855 1.00 13.21 H new ATOM 0 HD3 LYS A 51 6.137 0.621 -12.132 1.00 13.21 H new ATOM 0 HE2 LYS A 51 5.274 -1.677 -12.596 1.00 14.44 H new ATOM 0 HE3 LYS A 51 5.414 -1.371 -14.316 1.00 14.44 H new ATOM 0 HZ1 LYS A 51 7.304 -2.589 -13.210 1.00 12.25 H new ATOM 0 HZ2 LYS A 51 7.733 -1.265 -14.184 1.00 12.25 H new ATOM 0 HZ3 LYS A 51 7.733 -1.111 -12.493 1.00 12.25 H new ATOM 863 N SER A 52 0.920 -0.279 -16.248 1.00 3.42 N ATOM 864 CA SER A 52 0.362 -0.467 -17.575 1.00 70.41 C ATOM 865 C SER A 52 -1.043 0.127 -17.665 1.00 50.10 C ATOM 866 O SER A 52 -1.476 0.573 -18.731 1.00 34.44 O ATOM 867 CB SER A 52 0.346 -1.953 -17.933 1.00 1.34 C ATOM 868 OG SER A 52 -0.207 -2.716 -16.878 1.00 33.52 O ATOM 0 H SER A 52 0.777 -1.064 -15.612 1.00 3.42 H new ATOM 0 HA SER A 52 0.993 0.058 -18.293 1.00 70.41 H new ATOM 0 HB2 SER A 52 -0.235 -2.107 -18.843 1.00 1.34 H new ATOM 0 HB3 SER A 52 1.361 -2.293 -18.141 1.00 1.34 H new ATOM 0 HG SER A 52 -0.316 -3.646 -17.169 1.00 33.52 H new ATOM 874 N GLY A 53 -1.745 0.133 -16.545 1.00 63.33 N ATOM 875 CA GLY A 53 -3.080 0.686 -16.515 1.00 34.04 C ATOM 876 C GLY A 53 -4.142 -0.387 -16.510 1.00 42.14 C ATOM 877 O GLY A 53 -5.336 -0.092 -16.612 1.00 55.22 O ATOM 0 H GLY A 53 -1.413 -0.236 -15.654 1.00 63.33 H new ATOM 0 HA2 GLY A 53 -3.193 1.311 -15.629 1.00 34.04 H new ATOM 0 HA3 GLY A 53 -3.223 1.332 -17.381 1.00 34.04 H new ATOM 881 N GLU A 54 -3.707 -1.633 -16.386 1.00 35.42 N ATOM 882 CA GLU A 54 -4.612 -2.773 -16.367 1.00 5.14 C ATOM 883 C GLU A 54 -5.543 -2.697 -15.165 1.00 70.12 C ATOM 884 O GLU A 54 -6.758 -2.566 -15.309 1.00 51.02 O ATOM 885 CB GLU A 54 -3.815 -4.072 -16.336 1.00 24.30 C ATOM 886 CG GLU A 54 -2.977 -4.307 -17.579 1.00 62.41 C ATOM 887 CD GLU A 54 -2.026 -5.468 -17.426 1.00 30.25 C ATOM 888 OE1 GLU A 54 -2.495 -6.611 -17.268 1.00 34.43 O ATOM 889 OE2 GLU A 54 -0.798 -5.243 -17.465 1.00 60.14 O ATOM 0 H GLU A 54 -2.722 -1.881 -16.296 1.00 35.42 H new ATOM 0 HA GLU A 54 -5.218 -2.751 -17.273 1.00 5.14 H new ATOM 0 HB2 GLU A 54 -3.161 -4.065 -15.464 1.00 24.30 H new ATOM 0 HB3 GLU A 54 -4.504 -4.907 -16.211 1.00 24.30 H new ATOM 0 HG2 GLU A 54 -3.636 -4.491 -18.428 1.00 62.41 H new ATOM 0 HG3 GLU A 54 -2.409 -3.405 -17.806 1.00 62.41 H new ATOM 896 N GLU A 55 -4.971 -2.771 -13.990 1.00 31.55 N ATOM 897 CA GLU A 55 -5.732 -2.686 -12.766 1.00 4.32 C ATOM 898 C GLU A 55 -5.528 -1.329 -12.118 1.00 41.30 C ATOM 899 O GLU A 55 -4.408 -0.967 -11.757 1.00 53.15 O ATOM 900 CB GLU A 55 -5.327 -3.808 -11.800 1.00 22.33 C ATOM 901 CG GLU A 55 -6.102 -5.120 -11.975 1.00 14.13 C ATOM 902 CD GLU A 55 -6.076 -5.667 -13.393 1.00 14.10 C ATOM 903 OE1 GLU A 55 -5.000 -6.048 -13.872 1.00 73.44 O ATOM 904 OE2 GLU A 55 -7.152 -5.744 -14.024 1.00 63.35 O ATOM 0 H GLU A 55 -3.967 -2.892 -13.853 1.00 31.55 H new ATOM 0 HA GLU A 55 -6.789 -2.805 -13.004 1.00 4.32 H new ATOM 0 HB2 GLU A 55 -4.264 -4.011 -11.927 1.00 22.33 H new ATOM 0 HB3 GLU A 55 -5.464 -3.455 -10.778 1.00 22.33 H new ATOM 0 HG2 GLU A 55 -5.687 -5.868 -11.300 1.00 14.13 H new ATOM 0 HG3 GLU A 55 -7.138 -4.961 -11.676 1.00 14.13 H new ATOM 911 N ASP A 56 -6.607 -0.568 -11.997 1.00 32.32 N ATOM 912 CA ASP A 56 -6.542 0.749 -11.373 1.00 42.34 C ATOM 913 C ASP A 56 -6.239 0.599 -9.904 1.00 32.24 C ATOM 914 O ASP A 56 -6.912 -0.159 -9.212 1.00 3.11 O ATOM 915 CB ASP A 56 -7.858 1.517 -11.556 1.00 24.32 C ATOM 916 CG ASP A 56 -8.172 1.825 -13.005 1.00 30.14 C ATOM 917 OD1 ASP A 56 -7.673 2.845 -13.529 1.00 73.44 O ATOM 918 OD2 ASP A 56 -8.927 1.051 -13.631 1.00 62.50 O ATOM 0 H ASP A 56 -7.536 -0.838 -12.321 1.00 32.32 H new ATOM 0 HA ASP A 56 -5.748 1.317 -11.857 1.00 42.34 H new ATOM 0 HB2 ASP A 56 -8.674 0.933 -11.130 1.00 24.32 H new ATOM 0 HB3 ASP A 56 -7.807 2.450 -10.995 1.00 24.32 H new ATOM 923 N PHE A 57 -5.236 1.326 -9.428 1.00 51.13 N ATOM 924 CA PHE A 57 -4.799 1.243 -8.030 1.00 75.34 C ATOM 925 C PHE A 57 -5.968 1.428 -7.059 1.00 4.35 C ATOM 926 O PHE A 57 -6.049 0.745 -6.043 1.00 0.53 O ATOM 927 CB PHE A 57 -3.711 2.283 -7.746 1.00 42.15 C ATOM 928 CG PHE A 57 -3.046 2.115 -6.403 1.00 1.11 C ATOM 929 CD1 PHE A 57 -2.017 1.207 -6.241 1.00 45.20 C ATOM 930 CD2 PHE A 57 -3.449 2.864 -5.310 1.00 12.02 C ATOM 931 CE1 PHE A 57 -1.399 1.047 -5.017 1.00 35.41 C ATOM 932 CE2 PHE A 57 -2.834 2.706 -4.083 1.00 51.55 C ATOM 933 CZ PHE A 57 -1.807 1.798 -3.938 1.00 60.41 C ATOM 0 H PHE A 57 -4.702 1.987 -9.992 1.00 51.13 H new ATOM 0 HA PHE A 57 -4.390 0.245 -7.875 1.00 75.34 H new ATOM 0 HB2 PHE A 57 -2.953 2.225 -8.527 1.00 42.15 H new ATOM 0 HB3 PHE A 57 -4.150 3.279 -7.802 1.00 42.15 H new ATOM 0 HD1 PHE A 57 -1.692 0.614 -7.083 1.00 45.20 H new ATOM 0 HD2 PHE A 57 -4.252 3.578 -5.418 1.00 12.02 H new ATOM 0 HE1 PHE A 57 -0.596 0.333 -4.906 1.00 35.41 H new ATOM 0 HE2 PHE A 57 -3.158 3.294 -3.237 1.00 51.55 H new ATOM 0 HZ PHE A 57 -1.324 1.676 -2.980 1.00 60.41 H new ATOM 943 N GLU A 58 -6.868 2.343 -7.387 1.00 43.02 N ATOM 944 CA GLU A 58 -8.029 2.611 -6.546 1.00 4.12 C ATOM 945 C GLU A 58 -8.922 1.376 -6.435 1.00 13.01 C ATOM 946 O GLU A 58 -9.231 0.922 -5.339 1.00 1.03 O ATOM 947 CB GLU A 58 -8.821 3.790 -7.100 1.00 52.14 C ATOM 948 CG GLU A 58 -8.023 5.080 -7.154 1.00 33.50 C ATOM 949 CD GLU A 58 -8.758 6.185 -7.863 1.00 73.53 C ATOM 950 OE1 GLU A 58 -8.799 6.164 -9.105 1.00 63.53 O ATOM 951 OE2 GLU A 58 -9.282 7.093 -7.189 1.00 15.42 O ATOM 0 H GLU A 58 -6.818 2.914 -8.231 1.00 43.02 H new ATOM 0 HA GLU A 58 -7.674 2.863 -5.547 1.00 4.12 H new ATOM 0 HB2 GLU A 58 -9.169 3.545 -8.103 1.00 52.14 H new ATOM 0 HB3 GLU A 58 -9.707 3.945 -6.484 1.00 52.14 H new ATOM 0 HG2 GLU A 58 -7.786 5.399 -6.139 1.00 33.50 H new ATOM 0 HG3 GLU A 58 -7.075 4.896 -7.660 1.00 33.50 H new ATOM 958 N SER A 59 -9.314 0.824 -7.578 1.00 71.21 N ATOM 959 CA SER A 59 -10.163 -0.363 -7.606 1.00 32.33 C ATOM 960 C SER A 59 -9.405 -1.571 -7.056 1.00 72.44 C ATOM 961 O SER A 59 -9.995 -2.480 -6.463 1.00 53.11 O ATOM 962 CB SER A 59 -10.643 -0.638 -9.040 1.00 53.32 C ATOM 963 OG SER A 59 -11.496 -1.773 -9.095 1.00 74.14 O ATOM 0 H SER A 59 -9.057 1.180 -8.499 1.00 71.21 H new ATOM 0 HA SER A 59 -11.034 -0.185 -6.975 1.00 32.33 H new ATOM 0 HB2 SER A 59 -11.172 0.235 -9.421 1.00 53.32 H new ATOM 0 HB3 SER A 59 -9.782 -0.797 -9.689 1.00 53.32 H new ATOM 0 HG SER A 59 -11.785 -1.920 -10.020 1.00 74.14 H new ATOM 969 N LEU A 60 -8.097 -1.560 -7.250 1.00 53.52 N ATOM 970 CA LEU A 60 -7.229 -2.616 -6.775 1.00 42.34 C ATOM 971 C LEU A 60 -7.201 -2.627 -5.251 1.00 45.44 C ATOM 972 O LEU A 60 -7.403 -3.662 -4.626 1.00 43.01 O ATOM 973 CB LEU A 60 -5.815 -2.405 -7.320 1.00 4.11 C ATOM 974 CG LEU A 60 -4.813 -3.523 -7.050 1.00 5.01 C ATOM 975 CD1 LEU A 60 -5.173 -4.765 -7.846 1.00 64.33 C ATOM 976 CD2 LEU A 60 -3.407 -3.061 -7.381 1.00 74.53 C ATOM 0 H LEU A 60 -7.608 -0.813 -7.744 1.00 53.52 H new ATOM 0 HA LEU A 60 -7.611 -3.575 -7.126 1.00 42.34 H new ATOM 0 HB2 LEU A 60 -5.882 -2.259 -8.398 1.00 4.11 H new ATOM 0 HB3 LEU A 60 -5.420 -1.482 -6.897 1.00 4.11 H new ATOM 0 HG LEU A 60 -4.851 -3.776 -5.990 1.00 5.01 H new ATOM 0 HD11 LEU A 60 -4.447 -5.552 -7.641 1.00 64.33 H new ATOM 0 HD12 LEU A 60 -6.168 -5.105 -7.559 1.00 64.33 H new ATOM 0 HD13 LEU A 60 -5.163 -4.531 -8.910 1.00 64.33 H new ATOM 0 HD21 LEU A 60 -2.703 -3.869 -7.183 1.00 74.53 H new ATOM 0 HD22 LEU A 60 -3.354 -2.782 -8.433 1.00 74.53 H new ATOM 0 HD23 LEU A 60 -3.153 -2.199 -6.764 1.00 74.53 H new ATOM 988 N ALA A 61 -6.975 -1.462 -4.665 1.00 72.23 N ATOM 989 CA ALA A 61 -6.910 -1.324 -3.217 1.00 30.31 C ATOM 990 C ALA A 61 -8.270 -1.556 -2.576 1.00 13.34 C ATOM 991 O ALA A 61 -8.356 -1.957 -1.424 1.00 52.24 O ATOM 992 CB ALA A 61 -6.377 0.049 -2.840 1.00 43.31 C ATOM 0 H ALA A 61 -6.832 -0.590 -5.175 1.00 72.23 H new ATOM 0 HA ALA A 61 -6.227 -2.085 -2.840 1.00 30.31 H new ATOM 0 HB1 ALA A 61 -6.334 0.137 -1.754 1.00 43.31 H new ATOM 0 HB2 ALA A 61 -5.377 0.177 -3.254 1.00 43.31 H new ATOM 0 HB3 ALA A 61 -7.037 0.818 -3.241 1.00 43.31 H new ATOM 998 N SER A 62 -9.320 -1.327 -3.339 1.00 72.25 N ATOM 999 CA SER A 62 -10.678 -1.477 -2.851 1.00 73.01 C ATOM 1000 C SER A 62 -11.122 -2.954 -2.800 1.00 11.15 C ATOM 1001 O SER A 62 -12.214 -3.262 -2.318 1.00 4.34 O ATOM 1002 CB SER A 62 -11.638 -0.668 -3.721 1.00 43.13 C ATOM 1003 OG SER A 62 -11.293 0.711 -3.713 1.00 21.01 O ATOM 0 H SER A 62 -9.257 -1.032 -4.313 1.00 72.25 H new ATOM 0 HA SER A 62 -10.701 -1.098 -1.829 1.00 73.01 H new ATOM 0 HB2 SER A 62 -11.615 -1.046 -4.743 1.00 43.13 H new ATOM 0 HB3 SER A 62 -12.658 -0.794 -3.357 1.00 43.13 H new ATOM 0 HG SER A 62 -10.393 0.825 -4.084 1.00 21.01 H new ATOM 1009 N GLN A 63 -10.276 -3.867 -3.286 1.00 4.13 N ATOM 1010 CA GLN A 63 -10.636 -5.293 -3.314 1.00 14.42 C ATOM 1011 C GLN A 63 -9.445 -6.197 -3.016 1.00 32.30 C ATOM 1012 O GLN A 63 -9.484 -7.011 -2.099 1.00 74.13 O ATOM 1013 CB GLN A 63 -11.198 -5.674 -4.686 1.00 64.32 C ATOM 1014 CG GLN A 63 -12.452 -4.930 -5.090 1.00 61.45 C ATOM 1015 CD GLN A 63 -12.829 -5.195 -6.525 1.00 23.54 C ATOM 1016 OE1 GLN A 63 -13.574 -6.127 -6.826 1.00 12.14 O ATOM 1017 NE2 GLN A 63 -12.308 -4.385 -7.425 1.00 73.41 N ATOM 0 H GLN A 63 -9.352 -3.653 -3.660 1.00 4.13 H new ATOM 0 HA GLN A 63 -11.387 -5.438 -2.537 1.00 14.42 H new ATOM 0 HB2 GLN A 63 -10.430 -5.497 -5.439 1.00 64.32 H new ATOM 0 HB3 GLN A 63 -11.410 -6.743 -4.691 1.00 64.32 H new ATOM 0 HG2 GLN A 63 -13.274 -5.226 -4.439 1.00 61.45 H new ATOM 0 HG3 GLN A 63 -12.301 -3.860 -4.947 1.00 61.45 H new ATOM 0 HE21 GLN A 63 -11.695 -3.624 -7.132 1.00 73.41 H new ATOM 0 HE22 GLN A 63 -12.518 -4.519 -8.414 1.00 73.41 H new ATOM 1026 N PHE A 64 -8.385 -6.031 -3.790 1.00 64.41 N ATOM 1027 CA PHE A 64 -7.211 -6.897 -3.708 1.00 54.44 C ATOM 1028 C PHE A 64 -6.304 -6.542 -2.533 1.00 43.33 C ATOM 1029 O PHE A 64 -5.179 -7.042 -2.430 1.00 64.22 O ATOM 1030 CB PHE A 64 -6.429 -6.852 -5.022 1.00 64.42 C ATOM 1031 CG PHE A 64 -7.198 -7.395 -6.199 1.00 73.20 C ATOM 1032 CD1 PHE A 64 -8.073 -6.586 -6.910 1.00 4.05 C ATOM 1033 CD2 PHE A 64 -7.044 -8.715 -6.593 1.00 44.45 C ATOM 1034 CE1 PHE A 64 -8.777 -7.083 -7.990 1.00 63.35 C ATOM 1035 CE2 PHE A 64 -7.746 -9.217 -7.672 1.00 11.12 C ATOM 1036 CZ PHE A 64 -8.613 -8.400 -8.371 1.00 33.40 C ATOM 0 H PHE A 64 -8.310 -5.295 -4.492 1.00 64.41 H new ATOM 0 HA PHE A 64 -7.570 -7.912 -3.536 1.00 54.44 H new ATOM 0 HB2 PHE A 64 -6.143 -5.821 -5.230 1.00 64.42 H new ATOM 0 HB3 PHE A 64 -5.507 -7.422 -4.906 1.00 64.42 H new ATOM 0 HD1 PHE A 64 -8.205 -5.555 -6.616 1.00 4.05 H new ATOM 0 HD2 PHE A 64 -6.367 -9.359 -6.050 1.00 44.45 H new ATOM 0 HE1 PHE A 64 -9.454 -6.442 -8.535 1.00 63.35 H new ATOM 0 HE2 PHE A 64 -7.617 -10.247 -7.969 1.00 11.12 H new ATOM 0 HZ PHE A 64 -9.162 -8.791 -9.215 1.00 33.40 H new ATOM 1046 N SER A 65 -6.785 -5.686 -1.660 1.00 53.22 N ATOM 1047 CA SER A 65 -6.060 -5.345 -0.468 1.00 73.14 C ATOM 1048 C SER A 65 -6.664 -6.109 0.689 1.00 23.30 C ATOM 1049 O SER A 65 -7.879 -6.143 0.846 1.00 25.42 O ATOM 1050 CB SER A 65 -6.125 -3.836 -0.201 1.00 2.34 C ATOM 1051 OG SER A 65 -5.182 -3.446 0.796 1.00 53.22 O ATOM 0 H SER A 65 -7.683 -5.213 -1.759 1.00 53.22 H new ATOM 0 HA SER A 65 -5.010 -5.613 -0.589 1.00 73.14 H new ATOM 0 HB2 SER A 65 -5.927 -3.292 -1.125 1.00 2.34 H new ATOM 0 HB3 SER A 65 -7.131 -3.564 0.120 1.00 2.34 H new ATOM 0 HG SER A 65 -4.578 -4.194 0.985 1.00 53.22 H new ATOM 1057 N ASP A 66 -5.825 -6.736 1.485 1.00 13.15 N ATOM 1058 CA ASP A 66 -6.298 -7.525 2.615 1.00 12.41 C ATOM 1059 C ASP A 66 -6.658 -6.629 3.787 1.00 54.32 C ATOM 1060 O ASP A 66 -7.319 -7.057 4.729 1.00 71.11 O ATOM 1061 CB ASP A 66 -5.233 -8.531 3.057 1.00 3.24 C ATOM 1062 CG ASP A 66 -4.876 -9.542 1.991 1.00 61.34 C ATOM 1063 OD1 ASP A 66 -5.730 -10.372 1.641 1.00 40.52 O ATOM 1064 OD2 ASP A 66 -3.730 -9.519 1.504 1.00 30.33 O ATOM 0 H ASP A 66 -4.811 -6.718 1.375 1.00 13.15 H new ATOM 0 HA ASP A 66 -7.188 -8.064 2.291 1.00 12.41 H new ATOM 0 HB2 ASP A 66 -4.333 -7.990 3.349 1.00 3.24 H new ATOM 0 HB3 ASP A 66 -5.589 -9.059 3.942 1.00 3.24 H new ATOM 1069 N ALA A 67 -6.227 -5.390 3.721 1.00 74.04 N ATOM 1070 CA ALA A 67 -6.444 -4.450 4.801 1.00 50.33 C ATOM 1071 C ALA A 67 -7.736 -3.662 4.633 1.00 21.54 C ATOM 1072 O ALA A 67 -8.526 -3.923 3.722 1.00 51.25 O ATOM 1073 CB ALA A 67 -5.268 -3.512 4.899 1.00 54.32 C ATOM 0 H ALA A 67 -5.720 -5.006 2.924 1.00 74.04 H new ATOM 0 HA ALA A 67 -6.539 -5.022 5.724 1.00 50.33 H new ATOM 0 HB1 ALA A 67 -5.433 -2.805 5.712 1.00 54.32 H new ATOM 0 HB2 ALA A 67 -4.361 -4.085 5.094 1.00 54.32 H new ATOM 0 HB3 ALA A 67 -5.158 -2.967 3.961 1.00 54.32 H new ATOM 1079 N SER A 68 -7.927 -2.673 5.502 1.00 23.15 N ATOM 1080 CA SER A 68 -9.118 -1.839 5.491 1.00 12.34 C ATOM 1081 C SER A 68 -9.135 -0.916 4.270 1.00 34.35 C ATOM 1082 O SER A 68 -10.129 -0.232 4.018 1.00 54.25 O ATOM 1083 CB SER A 68 -9.196 -1.017 6.778 1.00 50.04 C ATOM 1084 OG SER A 68 -9.137 -1.862 7.924 1.00 72.21 O ATOM 0 H SER A 68 -7.258 -2.430 6.233 1.00 23.15 H new ATOM 0 HA SER A 68 -9.989 -2.491 5.432 1.00 12.34 H new ATOM 0 HB2 SER A 68 -8.375 -0.300 6.807 1.00 50.04 H new ATOM 0 HB3 SER A 68 -10.122 -0.442 6.792 1.00 50.04 H new ATOM 0 HG SER A 68 -9.187 -1.316 8.736 1.00 72.21 H new ATOM 1090 N SER A 69 -8.028 -0.908 3.517 1.00 21.43 N ATOM 1091 CA SER A 69 -7.911 -0.113 2.300 1.00 43.53 C ATOM 1092 C SER A 69 -9.082 -0.407 1.368 1.00 64.25 C ATOM 1093 O SER A 69 -9.581 0.480 0.673 1.00 65.14 O ATOM 1094 CB SER A 69 -6.604 -0.459 1.589 1.00 5.31 C ATOM 1095 OG SER A 69 -5.555 -0.655 2.524 1.00 12.30 O ATOM 0 H SER A 69 -7.194 -1.452 3.738 1.00 21.43 H new ATOM 0 HA SER A 69 -7.919 0.944 2.565 1.00 43.53 H new ATOM 0 HB2 SER A 69 -6.738 -1.361 0.992 1.00 5.31 H new ATOM 0 HB3 SER A 69 -6.337 0.342 0.900 1.00 5.31 H new ATOM 0 HG SER A 69 -4.728 -0.877 2.047 1.00 12.30 H new ATOM 1101 N ALA A 70 -9.521 -1.662 1.391 1.00 35.12 N ATOM 1102 CA ALA A 70 -10.618 -2.130 0.575 1.00 60.01 C ATOM 1103 C ALA A 70 -11.876 -1.294 0.775 1.00 14.15 C ATOM 1104 O ALA A 70 -12.565 -0.948 -0.182 1.00 53.42 O ATOM 1105 CB ALA A 70 -10.903 -3.580 0.888 1.00 75.23 C ATOM 0 H ALA A 70 -9.115 -2.384 1.986 1.00 35.12 H new ATOM 0 HA ALA A 70 -10.323 -2.029 -0.469 1.00 60.01 H new ATOM 0 HB1 ALA A 70 -11.731 -3.930 0.271 1.00 75.23 H new ATOM 0 HB2 ALA A 70 -10.016 -4.178 0.679 1.00 75.23 H new ATOM 0 HB3 ALA A 70 -11.168 -3.680 1.941 1.00 75.23 H new ATOM 1111 N LYS A 71 -12.161 -0.949 2.016 1.00 73.41 N ATOM 1112 CA LYS A 71 -13.364 -0.198 2.332 1.00 50.30 C ATOM 1113 C LYS A 71 -13.046 1.284 2.517 1.00 74.53 C ATOM 1114 O LYS A 71 -13.870 2.053 3.028 1.00 1.32 O ATOM 1115 CB LYS A 71 -14.033 -0.765 3.591 1.00 43.54 C ATOM 1116 CG LYS A 71 -14.217 -2.287 3.573 1.00 62.51 C ATOM 1117 CD LYS A 71 -14.983 -2.770 2.341 1.00 52.55 C ATOM 1118 CE LYS A 71 -16.418 -2.264 2.324 1.00 40.21 C ATOM 1119 NZ LYS A 71 -17.158 -2.733 1.125 1.00 62.32 N ATOM 0 H LYS A 71 -11.578 -1.176 2.822 1.00 73.41 H new ATOM 0 HA LYS A 71 -14.057 -0.295 1.496 1.00 50.30 H new ATOM 0 HB2 LYS A 71 -13.435 -0.493 4.461 1.00 43.54 H new ATOM 0 HB3 LYS A 71 -15.008 -0.294 3.714 1.00 43.54 H new ATOM 0 HG2 LYS A 71 -13.239 -2.768 3.601 1.00 62.51 H new ATOM 0 HG3 LYS A 71 -14.750 -2.596 4.472 1.00 62.51 H new ATOM 0 HD2 LYS A 71 -14.470 -2.433 1.440 1.00 52.55 H new ATOM 0 HD3 LYS A 71 -14.983 -3.860 2.319 1.00 52.55 H new ATOM 0 HE2 LYS A 71 -16.933 -2.602 3.223 1.00 40.21 H new ATOM 0 HE3 LYS A 71 -16.419 -1.174 2.347 1.00 40.21 H new ATOM 0 HZ1 LYS A 71 -18.131 -2.366 1.152 1.00 62.32 H new ATOM 0 HZ2 LYS A 71 -16.682 -2.389 0.267 1.00 62.32 H new ATOM 0 HZ3 LYS A 71 -17.180 -3.773 1.115 1.00 62.32 H new ATOM 1133 N ALA A 72 -11.858 1.682 2.097 1.00 51.14 N ATOM 1134 CA ALA A 72 -11.432 3.070 2.198 1.00 1.12 C ATOM 1135 C ALA A 72 -11.030 3.612 0.833 1.00 43.13 C ATOM 1136 O ALA A 72 -10.542 4.741 0.719 1.00 23.12 O ATOM 1137 CB ALA A 72 -10.284 3.200 3.185 1.00 73.31 C ATOM 0 H ALA A 72 -11.166 1.060 1.680 1.00 51.14 H new ATOM 0 HA ALA A 72 -12.271 3.662 2.563 1.00 1.12 H new ATOM 0 HB1 ALA A 72 -9.976 4.244 3.250 1.00 73.31 H new ATOM 0 HB2 ALA A 72 -10.608 2.856 4.167 1.00 73.31 H new ATOM 0 HB3 ALA A 72 -9.443 2.594 2.847 1.00 73.31 H new ATOM 1143 N ARG A 73 -11.224 2.778 -0.195 1.00 12.42 N ATOM 1144 CA ARG A 73 -10.913 3.114 -1.600 1.00 52.34 C ATOM 1145 C ARG A 73 -9.394 3.172 -1.848 1.00 72.01 C ATOM 1146 O ARG A 73 -8.943 3.341 -2.981 1.00 33.25 O ATOM 1147 CB ARG A 73 -11.577 4.439 -2.017 1.00 23.54 C ATOM 1148 CG ARG A 73 -11.620 4.660 -3.520 1.00 72.43 C ATOM 1149 CD ARG A 73 -12.636 3.740 -4.182 1.00 74.01 C ATOM 1150 NE ARG A 73 -12.579 3.810 -5.643 1.00 2.51 N ATOM 1151 CZ ARG A 73 -13.102 4.795 -6.381 1.00 55.03 C ATOM 1152 NH1 ARG A 73 -13.719 5.819 -5.797 1.00 2.02 N ATOM 1153 NH2 ARG A 73 -13.014 4.743 -7.707 1.00 42.12 N ATOM 0 H ARG A 73 -11.605 1.839 -0.079 1.00 12.42 H new ATOM 0 HA ARG A 73 -11.323 2.315 -2.218 1.00 52.34 H new ATOM 0 HB2 ARG A 73 -12.595 4.463 -1.627 1.00 23.54 H new ATOM 0 HB3 ARG A 73 -11.039 5.266 -1.553 1.00 23.54 H new ATOM 0 HG2 ARG A 73 -11.875 5.699 -3.730 1.00 72.43 H new ATOM 0 HG3 ARG A 73 -10.632 4.481 -3.945 1.00 72.43 H new ATOM 0 HD2 ARG A 73 -12.456 2.714 -3.862 1.00 74.01 H new ATOM 0 HD3 ARG A 73 -13.638 4.007 -3.846 1.00 74.01 H new ATOM 0 HE ARG A 73 -12.106 3.052 -6.134 1.00 2.51 H new ATOM 0 HH11 ARG A 73 -13.795 5.856 -4.781 1.00 2.02 H new ATOM 0 HH12 ARG A 73 -14.116 6.567 -6.366 1.00 2.02 H new ATOM 0 HH21 ARG A 73 -12.549 3.954 -8.157 1.00 42.12 H new ATOM 0 HH22 ARG A 73 -13.411 5.492 -8.274 1.00 42.12 H new ATOM 1167 N GLY A 74 -8.618 3.031 -0.787 1.00 51.44 N ATOM 1168 CA GLY A 74 -7.177 3.073 -0.909 1.00 41.33 C ATOM 1169 C GLY A 74 -6.607 4.451 -0.628 1.00 12.50 C ATOM 1170 O GLY A 74 -5.436 4.584 -0.284 1.00 43.24 O ATOM 0 H GLY A 74 -8.962 2.887 0.162 1.00 51.44 H new ATOM 0 HA2 GLY A 74 -6.737 2.354 -0.218 1.00 41.33 H new ATOM 0 HA3 GLY A 74 -6.892 2.764 -1.915 1.00 41.33 H new ATOM 1174 N ASP A 75 -7.435 5.472 -0.758 1.00 63.25 N ATOM 1175 CA ASP A 75 -7.001 6.850 -0.533 1.00 51.04 C ATOM 1176 C ASP A 75 -6.850 7.145 0.955 1.00 45.42 C ATOM 1177 O ASP A 75 -7.775 6.919 1.741 1.00 13.50 O ATOM 1178 CB ASP A 75 -7.994 7.837 -1.168 1.00 13.25 C ATOM 1179 CG ASP A 75 -7.664 9.296 -0.869 1.00 41.21 C ATOM 1180 OD1 ASP A 75 -6.758 9.857 -1.522 1.00 21.21 O ATOM 1181 OD2 ASP A 75 -8.325 9.890 0.013 1.00 51.00 O ATOM 0 H ASP A 75 -8.417 5.378 -1.019 1.00 63.25 H new ATOM 0 HA ASP A 75 -6.027 6.973 -1.006 1.00 51.04 H new ATOM 0 HB2 ASP A 75 -8.005 7.687 -2.248 1.00 13.25 H new ATOM 0 HB3 ASP A 75 -8.998 7.616 -0.805 1.00 13.25 H new ATOM 1186 N LEU A 76 -5.677 7.624 1.341 1.00 32.14 N ATOM 1187 CA LEU A 76 -5.421 7.998 2.729 1.00 14.52 C ATOM 1188 C LEU A 76 -5.784 9.449 2.952 1.00 51.13 C ATOM 1189 O LEU A 76 -6.199 9.839 4.047 1.00 34.35 O ATOM 1190 CB LEU A 76 -3.947 7.786 3.092 1.00 41.04 C ATOM 1191 CG LEU A 76 -3.505 6.345 3.321 1.00 55.51 C ATOM 1192 CD1 LEU A 76 -1.993 6.273 3.434 1.00 23.51 C ATOM 1193 CD2 LEU A 76 -4.151 5.790 4.581 1.00 5.41 C ATOM 0 H LEU A 76 -4.885 7.764 0.714 1.00 32.14 H new ATOM 0 HA LEU A 76 -6.036 7.362 3.366 1.00 14.52 H new ATOM 0 HB2 LEU A 76 -3.335 8.208 2.295 1.00 41.04 H new ATOM 0 HB3 LEU A 76 -3.732 8.357 3.995 1.00 41.04 H new ATOM 0 HG LEU A 76 -3.823 5.743 2.470 1.00 55.51 H new ATOM 0 HD11 LEU A 76 -1.689 5.239 3.597 1.00 23.51 H new ATOM 0 HD12 LEU A 76 -1.541 6.643 2.513 1.00 23.51 H new ATOM 0 HD13 LEU A 76 -1.661 6.885 4.272 1.00 23.51 H new ATOM 0 HD21 LEU A 76 -3.827 4.760 4.733 1.00 5.41 H new ATOM 0 HD22 LEU A 76 -3.854 6.394 5.438 1.00 5.41 H new ATOM 0 HD23 LEU A 76 -5.236 5.817 4.476 1.00 5.41 H new ATOM 1205 N GLY A 77 -5.641 10.239 1.909 1.00 5.11 N ATOM 1206 CA GLY A 77 -5.902 11.645 2.012 1.00 70.11 C ATOM 1207 C GLY A 77 -4.627 12.417 2.213 1.00 13.20 C ATOM 1208 O GLY A 77 -3.540 11.837 2.196 1.00 51.14 O ATOM 0 H GLY A 77 -5.346 9.925 0.985 1.00 5.11 H new ATOM 0 HA2 GLY A 77 -6.403 11.993 1.109 1.00 70.11 H new ATOM 0 HA3 GLY A 77 -6.580 11.833 2.845 1.00 70.11 H new ATOM 1212 N ALA A 78 -4.742 13.711 2.388 1.00 62.03 N ATOM 1213 CA ALA A 78 -3.587 14.548 2.600 1.00 30.33 C ATOM 1214 C ALA A 78 -3.167 14.521 4.063 1.00 40.10 C ATOM 1215 O ALA A 78 -3.843 15.087 4.924 1.00 75.31 O ATOM 1216 CB ALA A 78 -3.872 15.970 2.143 1.00 41.25 C ATOM 0 H ALA A 78 -5.631 14.210 2.388 1.00 62.03 H new ATOM 0 HA ALA A 78 -2.761 14.157 2.005 1.00 30.33 H new ATOM 0 HB1 ALA A 78 -2.991 16.589 2.310 1.00 41.25 H new ATOM 0 HB2 ALA A 78 -4.119 15.968 1.081 1.00 41.25 H new ATOM 0 HB3 ALA A 78 -4.711 16.373 2.710 1.00 41.25 H new ATOM 1222 N PHE A 79 -2.061 13.861 4.339 1.00 65.11 N ATOM 1223 CA PHE A 79 -1.549 13.748 5.694 1.00 44.33 C ATOM 1224 C PHE A 79 -0.192 14.427 5.818 1.00 74.23 C ATOM 1225 O PHE A 79 0.515 14.613 4.824 1.00 3.11 O ATOM 1226 CB PHE A 79 -1.465 12.271 6.127 1.00 2.25 C ATOM 1227 CG PHE A 79 -0.696 11.380 5.180 1.00 74.44 C ATOM 1228 CD1 PHE A 79 0.675 11.218 5.313 1.00 30.32 C ATOM 1229 CD2 PHE A 79 -1.349 10.704 4.161 1.00 14.13 C ATOM 1230 CE1 PHE A 79 1.375 10.397 4.449 1.00 23.44 C ATOM 1231 CE2 PHE A 79 -0.653 9.883 3.295 1.00 63.04 C ATOM 1232 CZ PHE A 79 0.711 9.731 3.439 1.00 63.13 C ATOM 0 H PHE A 79 -1.492 13.389 3.636 1.00 65.11 H new ATOM 0 HA PHE A 79 -2.244 14.257 6.362 1.00 44.33 H new ATOM 0 HB2 PHE A 79 -0.999 12.221 7.111 1.00 2.25 H new ATOM 0 HB3 PHE A 79 -2.477 11.879 6.233 1.00 2.25 H new ATOM 0 HD1 PHE A 79 1.201 11.739 6.100 1.00 30.32 H new ATOM 0 HD2 PHE A 79 -2.416 10.821 4.043 1.00 14.13 H new ATOM 0 HE1 PHE A 79 2.442 10.277 4.564 1.00 23.44 H new ATOM 0 HE2 PHE A 79 -1.175 9.361 2.507 1.00 63.04 H new ATOM 0 HZ PHE A 79 1.258 9.092 2.762 1.00 63.13 H new ATOM 1242 N SER A 80 0.156 14.813 7.026 1.00 55.44 N ATOM 1243 CA SER A 80 1.412 15.476 7.286 1.00 43.01 C ATOM 1244 C SER A 80 2.384 14.504 7.955 1.00 20.11 C ATOM 1245 O SER A 80 1.963 13.509 8.541 1.00 35.32 O ATOM 1246 CB SER A 80 1.170 16.704 8.179 1.00 55.13 C ATOM 1247 OG SER A 80 2.347 17.490 8.323 1.00 3.31 O ATOM 0 H SER A 80 -0.424 14.676 7.854 1.00 55.44 H new ATOM 0 HA SER A 80 1.851 15.808 6.345 1.00 43.01 H new ATOM 0 HB2 SER A 80 0.375 17.314 7.751 1.00 55.13 H new ATOM 0 HB3 SER A 80 0.828 16.378 9.161 1.00 55.13 H new ATOM 0 HG SER A 80 2.878 17.437 7.501 1.00 3.31 H new ATOM 1253 N ARG A 81 3.682 14.800 7.855 1.00 50.12 N ATOM 1254 CA ARG A 81 4.717 13.950 8.443 1.00 44.14 C ATOM 1255 C ARG A 81 4.534 13.845 9.948 1.00 51.14 C ATOM 1256 O ARG A 81 4.616 14.852 10.665 1.00 1.15 O ATOM 1257 CB ARG A 81 6.112 14.502 8.133 1.00 2.00 C ATOM 1258 CG ARG A 81 6.408 14.636 6.652 1.00 23.11 C ATOM 1259 CD ARG A 81 7.791 15.211 6.405 1.00 20.52 C ATOM 1260 NE ARG A 81 7.961 16.518 7.042 1.00 53.42 N ATOM 1261 CZ ARG A 81 8.148 17.663 6.379 1.00 14.43 C ATOM 1262 NH1 ARG A 81 8.151 17.675 5.056 1.00 51.24 N ATOM 1263 NH2 ARG A 81 8.319 18.793 7.045 1.00 11.04 N ATOM 0 H ARG A 81 4.041 15.623 7.371 1.00 50.12 H new ATOM 0 HA ARG A 81 4.623 12.957 8.004 1.00 44.14 H new ATOM 0 HB2 ARG A 81 6.217 15.479 8.604 1.00 2.00 H new ATOM 0 HB3 ARG A 81 6.859 13.849 8.584 1.00 2.00 H new ATOM 0 HG2 ARG A 81 6.330 13.659 6.176 1.00 23.11 H new ATOM 0 HG3 ARG A 81 5.659 15.278 6.188 1.00 23.11 H new ATOM 0 HD2 ARG A 81 8.544 14.521 6.786 1.00 20.52 H new ATOM 0 HD3 ARG A 81 7.958 15.306 5.332 1.00 20.52 H new ATOM 0 HE ARG A 81 7.935 16.557 8.061 1.00 53.42 H new ATOM 0 HH11 ARG A 81 8.010 16.808 4.538 1.00 51.24 H new ATOM 0 HH12 ARG A 81 8.294 18.551 4.554 1.00 51.24 H new ATOM 0 HH21 ARG A 81 8.308 18.790 8.065 1.00 11.04 H new ATOM 0 HH22 ARG A 81 8.462 19.667 6.539 1.00 11.04 H new ATOM 1277 N GLY A 82 4.274 12.644 10.416 1.00 24.11 N ATOM 1278 CA GLY A 82 4.078 12.420 11.825 1.00 73.31 C ATOM 1279 C GLY A 82 2.695 11.892 12.120 1.00 11.35 C ATOM 1280 O GLY A 82 2.154 12.120 13.203 1.00 44.12 O ATOM 0 H GLY A 82 4.194 11.808 9.837 1.00 24.11 H new ATOM 0 HA2 GLY A 82 4.823 11.712 12.188 1.00 73.31 H new ATOM 0 HA3 GLY A 82 4.235 13.353 12.367 1.00 73.31 H new ATOM 1284 N GLN A 83 2.111 11.197 11.155 1.00 22.20 N ATOM 1285 CA GLN A 83 0.776 10.632 11.314 1.00 33.52 C ATOM 1286 C GLN A 83 0.770 9.143 10.982 1.00 35.45 C ATOM 1287 O GLN A 83 -0.073 8.386 11.476 1.00 54.13 O ATOM 1288 CB GLN A 83 -0.235 11.361 10.422 1.00 64.41 C ATOM 1289 CG GLN A 83 -0.347 12.852 10.697 1.00 51.22 C ATOM 1290 CD GLN A 83 -1.411 13.532 9.851 1.00 15.13 C ATOM 1291 OE1 GLN A 83 -1.284 14.701 9.491 1.00 42.11 O ATOM 1292 NE2 GLN A 83 -2.474 12.814 9.541 1.00 60.04 N ATOM 0 H GLN A 83 2.541 11.009 10.250 1.00 22.20 H new ATOM 0 HA GLN A 83 0.487 10.762 12.357 1.00 33.52 H new ATOM 0 HB2 GLN A 83 0.046 11.215 9.379 1.00 64.41 H new ATOM 0 HB3 GLN A 83 -1.216 10.904 10.555 1.00 64.41 H new ATOM 0 HG2 GLN A 83 -0.576 13.005 11.752 1.00 51.22 H new ATOM 0 HG3 GLN A 83 0.617 13.324 10.508 1.00 51.22 H new ATOM 0 HE21 GLN A 83 -2.546 11.847 9.857 1.00 60.04 H new ATOM 0 HE22 GLN A 83 -3.224 13.226 8.986 1.00 60.04 H new ATOM 1301 N MET A 84 1.706 8.728 10.149 1.00 64.33 N ATOM 1302 CA MET A 84 1.807 7.342 9.735 1.00 11.35 C ATOM 1303 C MET A 84 3.138 6.750 10.203 1.00 0.04 C ATOM 1304 O MET A 84 4.041 7.492 10.599 1.00 50.34 O ATOM 1305 CB MET A 84 1.684 7.258 8.204 1.00 14.45 C ATOM 1306 CG MET A 84 1.654 5.845 7.646 1.00 55.22 C ATOM 1307 SD MET A 84 0.258 4.875 8.254 1.00 10.23 S ATOM 1308 CE MET A 84 -1.120 5.821 7.600 1.00 31.43 C ATOM 0 H MET A 84 2.414 9.339 9.742 1.00 64.33 H new ATOM 0 HA MET A 84 1.000 6.766 10.188 1.00 11.35 H new ATOM 0 HB2 MET A 84 0.774 7.775 7.897 1.00 14.45 H new ATOM 0 HB3 MET A 84 2.521 7.793 7.756 1.00 14.45 H new ATOM 0 HG2 MET A 84 1.611 5.891 6.558 1.00 55.22 H new ATOM 0 HG3 MET A 84 2.583 5.338 7.907 1.00 55.22 H new ATOM 0 HE1 MET A 84 -2.023 5.211 7.622 1.00 31.43 H new ATOM 0 HE2 MET A 84 -1.270 6.713 8.208 1.00 31.43 H new ATOM 0 HE3 MET A 84 -0.905 6.114 6.572 1.00 31.43 H new ATOM 1318 N GLN A 85 3.244 5.417 10.186 1.00 5.41 N ATOM 1319 CA GLN A 85 4.481 4.730 10.565 1.00 32.54 C ATOM 1320 C GLN A 85 5.642 5.248 9.726 1.00 61.03 C ATOM 1321 O GLN A 85 5.499 5.417 8.524 1.00 3.21 O ATOM 1322 CB GLN A 85 4.331 3.217 10.367 1.00 41.55 C ATOM 1323 CG GLN A 85 3.236 2.593 11.218 1.00 3.44 C ATOM 1324 CD GLN A 85 3.505 2.723 12.705 1.00 72.35 C ATOM 1325 OE1 GLN A 85 4.653 2.739 13.144 1.00 33.03 O ATOM 1326 NE2 GLN A 85 2.452 2.827 13.483 1.00 62.34 N ATOM 0 H GLN A 85 2.485 4.792 9.913 1.00 5.41 H new ATOM 0 HA GLN A 85 4.683 4.929 11.617 1.00 32.54 H new ATOM 0 HB2 GLN A 85 4.121 3.016 9.316 1.00 41.55 H new ATOM 0 HB3 GLN A 85 5.280 2.733 10.600 1.00 41.55 H new ATOM 0 HG2 GLN A 85 2.283 3.068 10.982 1.00 3.44 H new ATOM 0 HG3 GLN A 85 3.139 1.538 10.961 1.00 3.44 H new ATOM 0 HE21 GLN A 85 1.516 2.809 13.079 1.00 62.34 H new ATOM 0 HE22 GLN A 85 2.571 2.925 14.491 1.00 62.34 H new ATOM 1335 N LYS A 86 6.784 5.476 10.365 1.00 70.13 N ATOM 1336 CA LYS A 86 7.960 6.059 9.700 1.00 71.23 C ATOM 1337 C LYS A 86 8.329 5.369 8.363 1.00 45.15 C ATOM 1338 O LYS A 86 8.516 6.058 7.362 1.00 4.25 O ATOM 1339 CB LYS A 86 9.168 6.103 10.645 1.00 10.30 C ATOM 1340 CG LYS A 86 10.395 6.787 10.048 1.00 10.04 C ATOM 1341 CD LYS A 86 10.086 8.219 9.620 1.00 35.13 C ATOM 1342 CE LYS A 86 11.317 8.918 9.056 1.00 15.11 C ATOM 1343 NZ LYS A 86 12.362 9.133 10.090 1.00 34.01 N ATOM 0 H LYS A 86 6.928 5.266 11.353 1.00 70.13 H new ATOM 0 HA LYS A 86 7.676 7.079 9.443 1.00 71.23 H new ATOM 0 HB2 LYS A 86 8.883 6.623 11.559 1.00 10.30 H new ATOM 0 HB3 LYS A 86 9.433 5.084 10.927 1.00 10.30 H new ATOM 0 HG2 LYS A 86 11.202 6.791 10.780 1.00 10.04 H new ATOM 0 HG3 LYS A 86 10.748 6.217 9.188 1.00 10.04 H new ATOM 0 HD2 LYS A 86 9.296 8.212 8.869 1.00 35.13 H new ATOM 0 HD3 LYS A 86 9.708 8.781 10.475 1.00 35.13 H new ATOM 0 HE2 LYS A 86 11.730 8.322 8.242 1.00 15.11 H new ATOM 0 HE3 LYS A 86 11.025 9.879 8.631 1.00 15.11 H new ATOM 0 HZ1 LYS A 86 13.103 9.756 9.710 1.00 34.01 H new ATOM 0 HZ2 LYS A 86 11.935 9.575 10.929 1.00 34.01 H new ATOM 0 HZ3 LYS A 86 12.781 8.219 10.356 1.00 34.01 H new ATOM 1357 N PRO A 87 8.440 4.007 8.315 1.00 11.41 N ATOM 1358 CA PRO A 87 8.779 3.286 7.071 1.00 4.35 C ATOM 1359 C PRO A 87 7.829 3.633 5.919 1.00 71.11 C ATOM 1360 O PRO A 87 8.229 3.665 4.755 1.00 11.12 O ATOM 1361 CB PRO A 87 8.631 1.799 7.455 1.00 60.01 C ATOM 1362 CG PRO A 87 7.894 1.801 8.754 1.00 4.00 C ATOM 1363 CD PRO A 87 8.279 3.074 9.440 1.00 54.42 C ATOM 0 HA PRO A 87 9.775 3.549 6.713 1.00 4.35 H new ATOM 0 HB2 PRO A 87 8.082 1.248 6.692 1.00 60.01 H new ATOM 0 HB3 PRO A 87 9.605 1.320 7.556 1.00 60.01 H new ATOM 0 HG2 PRO A 87 6.817 1.754 8.592 1.00 4.00 H new ATOM 0 HG3 PRO A 87 8.164 0.935 9.358 1.00 4.00 H new ATOM 0 HD2 PRO A 87 7.510 3.408 10.137 1.00 54.42 H new ATOM 0 HD3 PRO A 87 9.201 2.964 10.011 1.00 54.42 H new ATOM 1371 N PHE A 88 6.581 3.904 6.256 1.00 55.20 N ATOM 1372 CA PHE A 88 5.576 4.250 5.269 1.00 74.32 C ATOM 1373 C PHE A 88 5.591 5.763 5.027 1.00 63.22 C ATOM 1374 O PHE A 88 5.528 6.226 3.888 1.00 3.52 O ATOM 1375 CB PHE A 88 4.194 3.799 5.766 1.00 13.33 C ATOM 1376 CG PHE A 88 3.095 3.878 4.738 1.00 34.44 C ATOM 1377 CD1 PHE A 88 2.495 5.089 4.430 1.00 61.25 C ATOM 1378 CD2 PHE A 88 2.659 2.737 4.088 1.00 73.42 C ATOM 1379 CE1 PHE A 88 1.486 5.159 3.495 1.00 53.30 C ATOM 1380 CE2 PHE A 88 1.647 2.803 3.150 1.00 32.24 C ATOM 1381 CZ PHE A 88 1.061 4.017 2.855 1.00 61.23 C ATOM 0 H PHE A 88 6.238 3.891 7.216 1.00 55.20 H new ATOM 0 HA PHE A 88 5.795 3.744 4.329 1.00 74.32 H new ATOM 0 HB2 PHE A 88 4.269 2.770 6.119 1.00 13.33 H new ATOM 0 HB3 PHE A 88 3.915 4.411 6.624 1.00 13.33 H new ATOM 0 HD1 PHE A 88 2.823 5.989 4.929 1.00 61.25 H new ATOM 0 HD2 PHE A 88 3.115 1.785 4.316 1.00 73.42 H new ATOM 0 HE1 PHE A 88 1.028 6.110 3.264 1.00 53.30 H new ATOM 0 HE2 PHE A 88 1.315 1.906 2.648 1.00 32.24 H new ATOM 0 HZ PHE A 88 0.269 4.071 2.122 1.00 61.23 H new ATOM 1391 N GLU A 89 5.694 6.511 6.118 1.00 72.32 N ATOM 1392 CA GLU A 89 5.711 7.973 6.100 1.00 74.20 C ATOM 1393 C GLU A 89 6.833 8.484 5.197 1.00 3.22 C ATOM 1394 O GLU A 89 6.598 9.225 4.242 1.00 31.34 O ATOM 1395 CB GLU A 89 5.940 8.494 7.528 1.00 71.33 C ATOM 1396 CG GLU A 89 5.537 9.941 7.744 1.00 60.04 C ATOM 1397 CD GLU A 89 4.050 10.091 7.973 1.00 63.23 C ATOM 1398 OE1 GLU A 89 3.284 9.903 7.027 1.00 34.02 O ATOM 1399 OE2 GLU A 89 3.651 10.383 9.125 1.00 4.13 O ATOM 0 H GLU A 89 5.769 6.116 7.055 1.00 72.32 H new ATOM 0 HA GLU A 89 4.756 8.331 5.716 1.00 74.20 H new ATOM 0 HB2 GLU A 89 5.382 7.867 8.223 1.00 71.33 H new ATOM 0 HB3 GLU A 89 6.996 8.383 7.776 1.00 71.33 H new ATOM 0 HG2 GLU A 89 6.077 10.343 8.601 1.00 60.04 H new ATOM 0 HG3 GLU A 89 5.831 10.532 6.876 1.00 60.04 H new ATOM 1406 N ASP A 90 8.049 8.049 5.497 1.00 11.44 N ATOM 1407 CA ASP A 90 9.237 8.471 4.762 1.00 55.02 C ATOM 1408 C ASP A 90 9.144 8.097 3.286 1.00 21.31 C ATOM 1409 O ASP A 90 9.576 8.855 2.419 1.00 21.13 O ATOM 1410 CB ASP A 90 10.494 7.855 5.388 1.00 22.52 C ATOM 1411 CG ASP A 90 11.756 8.172 4.613 1.00 22.22 C ATOM 1412 OD1 ASP A 90 12.170 9.344 4.594 1.00 44.34 O ATOM 1413 OD2 ASP A 90 12.345 7.246 4.025 1.00 1.42 O ATOM 0 H ASP A 90 8.241 7.395 6.255 1.00 11.44 H new ATOM 0 HA ASP A 90 9.301 9.557 4.827 1.00 55.02 H new ATOM 0 HB2 ASP A 90 10.600 8.219 6.410 1.00 22.52 H new ATOM 0 HB3 ASP A 90 10.372 6.773 5.446 1.00 22.52 H new ATOM 1418 N ALA A 91 8.561 6.945 3.008 1.00 30.31 N ATOM 1419 CA ALA A 91 8.426 6.472 1.641 1.00 34.54 C ATOM 1420 C ALA A 91 7.396 7.293 0.866 1.00 14.11 C ATOM 1421 O ALA A 91 7.607 7.618 -0.299 1.00 14.42 O ATOM 1422 CB ALA A 91 8.058 4.996 1.624 1.00 61.21 C ATOM 0 H ALA A 91 8.172 6.318 3.712 1.00 30.31 H new ATOM 0 HA ALA A 91 9.389 6.598 1.146 1.00 34.54 H new ATOM 0 HB1 ALA A 91 7.961 4.657 0.593 1.00 61.21 H new ATOM 0 HB2 ALA A 91 8.838 4.421 2.123 1.00 61.21 H new ATOM 0 HB3 ALA A 91 7.111 4.851 2.144 1.00 61.21 H new ATOM 1428 N SER A 92 6.300 7.642 1.528 1.00 52.11 N ATOM 1429 CA SER A 92 5.229 8.409 0.902 1.00 62.23 C ATOM 1430 C SER A 92 5.720 9.784 0.454 1.00 71.22 C ATOM 1431 O SER A 92 5.497 10.194 -0.686 1.00 12.22 O ATOM 1432 CB SER A 92 4.058 8.565 1.869 1.00 0.30 C ATOM 1433 OG SER A 92 3.586 7.304 2.299 1.00 23.05 O ATOM 0 H SER A 92 6.128 7.404 2.505 1.00 52.11 H new ATOM 0 HA SER A 92 4.898 7.862 0.019 1.00 62.23 H new ATOM 0 HB2 SER A 92 4.370 9.154 2.731 1.00 0.30 H new ATOM 0 HB3 SER A 92 3.251 9.113 1.383 1.00 0.30 H new ATOM 0 HG SER A 92 4.180 6.952 2.995 1.00 23.05 H new ATOM 1439 N PHE A 93 6.407 10.480 1.347 1.00 50.22 N ATOM 1440 CA PHE A 93 6.908 11.818 1.052 1.00 61.51 C ATOM 1441 C PHE A 93 8.128 11.778 0.128 1.00 71.30 C ATOM 1442 O PHE A 93 8.614 12.817 -0.314 1.00 33.51 O ATOM 1443 CB PHE A 93 7.239 12.565 2.348 1.00 70.24 C ATOM 1444 CG PHE A 93 6.027 12.899 3.181 1.00 3.02 C ATOM 1445 CD1 PHE A 93 5.529 11.994 4.104 1.00 62.54 C ATOM 1446 CD2 PHE A 93 5.390 14.116 3.039 1.00 52.30 C ATOM 1447 CE1 PHE A 93 4.418 12.297 4.867 1.00 4.35 C ATOM 1448 CE2 PHE A 93 4.277 14.427 3.800 1.00 55.54 C ATOM 1449 CZ PHE A 93 3.791 13.516 4.713 1.00 63.22 C ATOM 0 H PHE A 93 6.632 10.142 2.283 1.00 50.22 H new ATOM 0 HA PHE A 93 6.118 12.356 0.527 1.00 61.51 H new ATOM 0 HB2 PHE A 93 7.922 11.958 2.943 1.00 70.24 H new ATOM 0 HB3 PHE A 93 7.765 13.487 2.101 1.00 70.24 H new ATOM 0 HD1 PHE A 93 6.016 11.038 4.229 1.00 62.54 H new ATOM 0 HD2 PHE A 93 5.765 14.834 2.325 1.00 52.30 H new ATOM 0 HE1 PHE A 93 4.041 11.581 5.582 1.00 4.35 H new ATOM 0 HE2 PHE A 93 3.789 15.383 3.679 1.00 55.54 H new ATOM 0 HZ PHE A 93 2.921 13.756 5.307 1.00 63.22 H new ATOM 1459 N ALA A 94 8.607 10.577 -0.170 1.00 13.51 N ATOM 1460 CA ALA A 94 9.760 10.409 -1.042 1.00 13.02 C ATOM 1461 C ALA A 94 9.326 10.200 -2.483 1.00 34.14 C ATOM 1462 O ALA A 94 10.152 10.216 -3.402 1.00 4.21 O ATOM 1463 CB ALA A 94 10.600 9.231 -0.584 1.00 2.14 C ATOM 0 H ALA A 94 8.213 9.704 0.181 1.00 13.51 H new ATOM 0 HA ALA A 94 10.358 11.319 -0.988 1.00 13.02 H new ATOM 0 HB1 ALA A 94 11.459 9.117 -1.246 1.00 2.14 H new ATOM 0 HB2 ALA A 94 10.947 9.406 0.434 1.00 2.14 H new ATOM 0 HB3 ALA A 94 9.998 8.323 -0.611 1.00 2.14 H new ATOM 1469 N LEU A 95 8.041 10.003 -2.679 1.00 63.24 N ATOM 1470 CA LEU A 95 7.507 9.750 -4.003 1.00 55.33 C ATOM 1471 C LEU A 95 7.164 11.042 -4.719 1.00 45.53 C ATOM 1472 O LEU A 95 6.745 12.014 -4.100 1.00 22.15 O ATOM 1473 CB LEU A 95 6.264 8.864 -3.923 1.00 2.33 C ATOM 1474 CG LEU A 95 6.475 7.472 -3.334 1.00 62.51 C ATOM 1475 CD1 LEU A 95 5.159 6.722 -3.271 1.00 4.24 C ATOM 1476 CD2 LEU A 95 7.496 6.693 -4.151 1.00 43.44 C ATOM 0 H LEU A 95 7.342 10.013 -1.936 1.00 63.24 H new ATOM 0 HA LEU A 95 8.281 9.235 -4.572 1.00 55.33 H new ATOM 0 HB2 LEU A 95 5.512 9.380 -3.326 1.00 2.33 H new ATOM 0 HB3 LEU A 95 5.854 8.754 -4.927 1.00 2.33 H new ATOM 0 HG LEU A 95 6.861 7.581 -2.320 1.00 62.51 H new ATOM 0 HD11 LEU A 95 5.325 5.731 -2.849 1.00 4.24 H new ATOM 0 HD12 LEU A 95 4.457 7.271 -2.643 1.00 4.24 H new ATOM 0 HD13 LEU A 95 4.747 6.624 -4.276 1.00 4.24 H new ATOM 0 HD21 LEU A 95 7.632 5.703 -3.715 1.00 43.44 H new ATOM 0 HD22 LEU A 95 7.141 6.592 -5.176 1.00 43.44 H new ATOM 0 HD23 LEU A 95 8.447 7.225 -4.148 1.00 43.44 H new ATOM 1488 N ARG A 96 7.362 11.039 -6.021 1.00 22.13 N ATOM 1489 CA ARG A 96 7.014 12.172 -6.866 1.00 50.12 C ATOM 1490 C ARG A 96 5.491 12.210 -7.048 1.00 34.53 C ATOM 1491 O ARG A 96 4.816 11.204 -6.815 1.00 5.00 O ATOM 1492 CB ARG A 96 7.712 12.020 -8.234 1.00 13.04 C ATOM 1493 CG ARG A 96 7.484 13.170 -9.200 1.00 53.10 C ATOM 1494 CD ARG A 96 8.039 12.857 -10.580 1.00 61.34 C ATOM 1495 NE ARG A 96 7.892 13.986 -11.494 1.00 1.34 N ATOM 1496 CZ ARG A 96 8.147 13.947 -12.803 1.00 54.41 C ATOM 1497 NH1 ARG A 96 8.524 12.810 -13.383 1.00 64.11 N ATOM 1498 NH2 ARG A 96 8.010 15.050 -13.531 1.00 34.35 N ATOM 0 H ARG A 96 7.769 10.253 -6.527 1.00 22.13 H new ATOM 0 HA ARG A 96 7.343 13.102 -6.403 1.00 50.12 H new ATOM 0 HB2 ARG A 96 8.784 11.911 -8.068 1.00 13.04 H new ATOM 0 HB3 ARG A 96 7.366 11.098 -8.701 1.00 13.04 H new ATOM 0 HG2 ARG A 96 6.417 13.378 -9.275 1.00 53.10 H new ATOM 0 HG3 ARG A 96 7.958 14.072 -8.812 1.00 53.10 H new ATOM 0 HD2 ARG A 96 9.093 12.593 -10.496 1.00 61.34 H new ATOM 0 HD3 ARG A 96 7.524 11.988 -10.990 1.00 61.34 H new ATOM 0 HE ARG A 96 7.570 14.871 -11.102 1.00 1.34 H new ATOM 0 HH11 ARG A 96 8.620 11.961 -12.826 1.00 64.11 H new ATOM 0 HH12 ARG A 96 8.717 12.788 -14.384 1.00 64.11 H new ATOM 0 HH21 ARG A 96 7.712 15.919 -13.089 1.00 34.35 H new ATOM 0 HH22 ARG A 96 8.203 15.027 -14.532 1.00 34.35 H new ATOM 1512 N THR A 97 4.946 13.356 -7.430 1.00 52.13 N ATOM 1513 CA THR A 97 3.517 13.463 -7.664 1.00 31.34 C ATOM 1514 C THR A 97 3.090 12.500 -8.783 1.00 52.52 C ATOM 1515 O THR A 97 3.503 12.646 -9.935 1.00 23.33 O ATOM 1516 CB THR A 97 3.117 14.907 -8.039 1.00 20.21 C ATOM 1517 OG1 THR A 97 3.583 15.816 -7.024 1.00 21.21 O ATOM 1518 CG2 THR A 97 1.604 15.032 -8.173 1.00 62.31 C ATOM 0 H THR A 97 5.469 14.218 -7.583 1.00 52.13 H new ATOM 0 HA THR A 97 3.006 13.195 -6.739 1.00 31.34 H new ATOM 0 HB THR A 97 3.574 15.154 -8.997 1.00 20.21 H new ATOM 0 HG1 THR A 97 3.330 16.732 -7.264 1.00 21.21 H new ATOM 0 HG21 THR A 97 1.346 16.057 -8.437 1.00 62.31 H new ATOM 0 HG22 THR A 97 1.251 14.356 -8.952 1.00 62.31 H new ATOM 0 HG23 THR A 97 1.132 14.772 -7.226 1.00 62.31 H new ATOM 1526 N GLY A 98 2.294 11.498 -8.424 1.00 4.11 N ATOM 1527 CA GLY A 98 1.847 10.522 -9.395 1.00 4.11 C ATOM 1528 C GLY A 98 2.787 9.338 -9.493 1.00 73.43 C ATOM 1529 O GLY A 98 2.687 8.527 -10.417 1.00 2.20 O ATOM 0 H GLY A 98 1.951 11.346 -7.475 1.00 4.11 H new ATOM 0 HA2 GLY A 98 0.851 10.171 -9.123 1.00 4.11 H new ATOM 0 HA3 GLY A 98 1.762 10.997 -10.372 1.00 4.11 H new ATOM 1533 N GLU A 99 3.696 9.240 -8.540 1.00 65.01 N ATOM 1534 CA GLU A 99 4.675 8.168 -8.516 1.00 24.35 C ATOM 1535 C GLU A 99 4.297 7.113 -7.480 1.00 34.12 C ATOM 1536 O GLU A 99 3.672 7.420 -6.459 1.00 33.21 O ATOM 1537 CB GLU A 99 6.063 8.748 -8.228 1.00 42.42 C ATOM 1538 CG GLU A 99 7.186 7.733 -8.179 1.00 33.12 C ATOM 1539 CD GLU A 99 8.531 8.383 -7.946 1.00 3.42 C ATOM 1540 OE1 GLU A 99 8.801 8.815 -6.808 1.00 3.32 O ATOM 1541 OE2 GLU A 99 9.323 8.465 -8.895 1.00 3.15 O ATOM 0 H GLU A 99 3.777 9.898 -7.764 1.00 65.01 H new ATOM 0 HA GLU A 99 4.693 7.680 -9.491 1.00 24.35 H new ATOM 0 HB2 GLU A 99 6.296 9.488 -8.993 1.00 42.42 H new ATOM 0 HB3 GLU A 99 6.029 9.275 -7.275 1.00 42.42 H new ATOM 0 HG2 GLU A 99 6.989 7.013 -7.384 1.00 33.12 H new ATOM 0 HG3 GLU A 99 7.211 7.175 -9.115 1.00 33.12 H new ATOM 1548 N MET A 100 4.664 5.874 -7.758 1.00 41.23 N ATOM 1549 CA MET A 100 4.358 4.759 -6.884 1.00 43.24 C ATOM 1550 C MET A 100 5.649 4.117 -6.373 1.00 73.30 C ATOM 1551 O MET A 100 6.680 4.144 -7.054 1.00 70.12 O ATOM 1552 CB MET A 100 3.519 3.725 -7.645 1.00 5.11 C ATOM 1553 CG MET A 100 3.085 2.531 -6.811 1.00 10.44 C ATOM 1554 SD MET A 100 2.172 1.309 -7.771 1.00 54.01 S ATOM 1555 CE MET A 100 3.408 0.832 -8.976 1.00 72.21 C ATOM 0 H MET A 100 5.183 5.614 -8.597 1.00 41.23 H new ATOM 0 HA MET A 100 3.790 5.122 -6.028 1.00 43.24 H new ATOM 0 HB2 MET A 100 2.631 4.217 -8.042 1.00 5.11 H new ATOM 0 HB3 MET A 100 4.094 3.366 -8.499 1.00 5.11 H new ATOM 0 HG2 MET A 100 3.965 2.060 -6.373 1.00 10.44 H new ATOM 0 HG3 MET A 100 2.464 2.876 -5.985 1.00 10.44 H new ATOM 0 HE1 MET A 100 3.092 -0.081 -9.480 1.00 72.21 H new ATOM 0 HE2 MET A 100 3.527 1.629 -9.710 1.00 72.21 H new ATOM 0 HE3 MET A 100 4.359 0.658 -8.472 1.00 72.21 H new ATOM 1565 N SER A 101 5.597 3.565 -5.176 1.00 43.42 N ATOM 1566 CA SER A 101 6.743 2.904 -4.588 1.00 71.14 C ATOM 1567 C SER A 101 6.744 1.423 -4.952 1.00 61.54 C ATOM 1568 O SER A 101 5.946 0.975 -5.784 1.00 20.32 O ATOM 1569 CB SER A 101 6.707 3.056 -3.063 1.00 5.53 C ATOM 1570 OG SER A 101 5.547 2.442 -2.516 1.00 72.55 O ATOM 0 H SER A 101 4.764 3.563 -4.588 1.00 43.42 H new ATOM 0 HA SER A 101 7.650 3.367 -4.978 1.00 71.14 H new ATOM 0 HB2 SER A 101 7.600 2.607 -2.628 1.00 5.53 H new ATOM 0 HB3 SER A 101 6.722 4.113 -2.799 1.00 5.53 H new ATOM 0 HG SER A 101 5.548 2.551 -1.542 1.00 72.55 H new ATOM 1576 N GLY A 102 7.647 0.679 -4.351 1.00 44.41 N ATOM 1577 CA GLY A 102 7.684 -0.745 -4.548 1.00 63.44 C ATOM 1578 C GLY A 102 7.132 -1.461 -3.336 1.00 41.44 C ATOM 1579 O GLY A 102 6.246 -0.931 -2.660 1.00 12.15 O ATOM 0 H GLY A 102 8.364 1.041 -3.722 1.00 44.41 H new ATOM 0 HA2 GLY A 102 7.103 -1.011 -5.431 1.00 63.44 H new ATOM 0 HA3 GLY A 102 8.709 -1.066 -4.732 1.00 63.44 H new ATOM 1583 N PRO A 103 7.635 -2.659 -3.022 1.00 30.12 N ATOM 1584 CA PRO A 103 7.184 -3.418 -1.864 1.00 21.33 C ATOM 1585 C PRO A 103 7.746 -2.853 -0.563 1.00 5.42 C ATOM 1586 O PRO A 103 8.857 -3.195 -0.154 1.00 54.33 O ATOM 1587 CB PRO A 103 7.740 -4.838 -2.107 1.00 45.42 C ATOM 1588 CG PRO A 103 8.344 -4.806 -3.478 1.00 31.02 C ATOM 1589 CD PRO A 103 8.670 -3.372 -3.765 1.00 11.51 C ATOM 0 HA PRO A 103 6.099 -3.389 -1.760 1.00 21.33 H new ATOM 0 HB2 PRO A 103 8.486 -5.101 -1.356 1.00 45.42 H new ATOM 0 HB3 PRO A 103 6.948 -5.585 -2.045 1.00 45.42 H new ATOM 0 HG2 PRO A 103 9.241 -5.424 -3.521 1.00 31.02 H new ATOM 0 HG3 PRO A 103 7.648 -5.201 -4.218 1.00 31.02 H new ATOM 0 HD2 PRO A 103 9.671 -3.107 -3.423 1.00 11.51 H new ATOM 0 HD3 PRO A 103 8.629 -3.152 -4.832 1.00 11.51 H new ATOM 1597 N VAL A 104 6.996 -1.971 0.069 1.00 31.22 N ATOM 1598 CA VAL A 104 7.416 -1.382 1.324 1.00 12.14 C ATOM 1599 C VAL A 104 7.069 -2.316 2.471 1.00 42.25 C ATOM 1600 O VAL A 104 5.898 -2.479 2.829 1.00 41.23 O ATOM 1601 CB VAL A 104 6.764 0.003 1.563 1.00 64.14 C ATOM 1602 CG1 VAL A 104 7.241 0.609 2.878 1.00 61.52 C ATOM 1603 CG2 VAL A 104 7.063 0.942 0.403 1.00 13.33 C ATOM 0 H VAL A 104 6.090 -1.646 -0.268 1.00 31.22 H new ATOM 0 HA VAL A 104 8.495 -1.236 1.275 1.00 12.14 H new ATOM 0 HB VAL A 104 5.685 -0.137 1.625 1.00 64.14 H new ATOM 0 HG11 VAL A 104 6.769 1.581 3.023 1.00 61.52 H new ATOM 0 HG12 VAL A 104 6.972 -0.052 3.702 1.00 61.52 H new ATOM 0 HG13 VAL A 104 8.324 0.732 2.850 1.00 61.52 H new ATOM 0 HG21 VAL A 104 6.597 1.910 0.589 1.00 13.33 H new ATOM 0 HG22 VAL A 104 8.141 1.071 0.308 1.00 13.33 H new ATOM 0 HG23 VAL A 104 6.665 0.519 -0.519 1.00 13.33 H new ATOM 1613 N PHE A 105 8.079 -2.944 3.024 1.00 73.15 N ATOM 1614 CA PHE A 105 7.890 -3.876 4.114 1.00 23.41 C ATOM 1615 C PHE A 105 7.743 -3.125 5.424 1.00 72.12 C ATOM 1616 O PHE A 105 8.374 -2.084 5.626 1.00 11.15 O ATOM 1617 CB PHE A 105 9.066 -4.850 4.184 1.00 72.14 C ATOM 1618 CG PHE A 105 9.310 -5.583 2.894 1.00 74.14 C ATOM 1619 CD1 PHE A 105 8.421 -6.546 2.452 1.00 11.35 C ATOM 1620 CD2 PHE A 105 10.424 -5.299 2.122 1.00 4.25 C ATOM 1621 CE1 PHE A 105 8.639 -7.215 1.264 1.00 32.43 C ATOM 1622 CE2 PHE A 105 10.647 -5.964 0.934 1.00 13.22 C ATOM 1623 CZ PHE A 105 9.753 -6.923 0.503 1.00 42.32 C ATOM 0 H PHE A 105 9.050 -2.826 2.735 1.00 73.15 H new ATOM 0 HA PHE A 105 6.978 -4.446 3.937 1.00 23.41 H new ATOM 0 HB2 PHE A 105 9.967 -4.301 4.458 1.00 72.14 H new ATOM 0 HB3 PHE A 105 8.881 -5.575 4.976 1.00 72.14 H new ATOM 0 HD1 PHE A 105 7.547 -6.777 3.043 1.00 11.35 H new ATOM 0 HD2 PHE A 105 11.126 -4.548 2.454 1.00 4.25 H new ATOM 0 HE1 PHE A 105 7.938 -7.966 0.930 1.00 32.43 H new ATOM 0 HE2 PHE A 105 11.520 -5.734 0.342 1.00 13.22 H new ATOM 0 HZ PHE A 105 9.925 -7.444 -0.427 1.00 42.32 H new ATOM 1633 N THR A 106 6.908 -3.631 6.305 1.00 31.12 N ATOM 1634 CA THR A 106 6.678 -2.978 7.578 1.00 40.03 C ATOM 1635 C THR A 106 6.453 -3.997 8.696 1.00 23.05 C ATOM 1636 O THR A 106 7.205 -4.025 9.672 1.00 30.34 O ATOM 1637 CB THR A 106 5.483 -2.005 7.503 1.00 64.22 C ATOM 1638 OG1 THR A 106 5.644 -1.136 6.372 1.00 24.51 O ATOM 1639 CG2 THR A 106 5.392 -1.165 8.767 1.00 33.20 C ATOM 0 H THR A 106 6.377 -4.491 6.165 1.00 31.12 H new ATOM 0 HA THR A 106 7.576 -2.405 7.809 1.00 40.03 H new ATOM 0 HB THR A 106 4.568 -2.588 7.401 1.00 64.22 H new ATOM 0 HG1 THR A 106 4.884 -0.519 6.323 1.00 24.51 H new ATOM 0 HG21 THR A 106 4.542 -0.486 8.692 1.00 33.20 H new ATOM 0 HG22 THR A 106 5.260 -1.818 9.629 1.00 33.20 H new ATOM 0 HG23 THR A 106 6.309 -0.587 8.887 1.00 33.20 H new ATOM 1647 N ASP A 107 5.431 -4.841 8.551 1.00 13.40 N ATOM 1648 CA ASP A 107 5.134 -5.842 9.575 1.00 0.30 C ATOM 1649 C ASP A 107 4.430 -7.087 9.004 1.00 24.40 C ATOM 1650 O ASP A 107 5.047 -7.893 8.306 1.00 73.43 O ATOM 1651 CB ASP A 107 4.345 -5.230 10.770 1.00 24.42 C ATOM 1652 CG ASP A 107 3.094 -4.461 10.361 1.00 1.34 C ATOM 1653 OD1 ASP A 107 2.009 -5.079 10.269 1.00 53.24 O ATOM 1654 OD2 ASP A 107 3.190 -3.243 10.131 1.00 1.14 O ATOM 0 H ASP A 107 4.803 -4.852 7.747 1.00 13.40 H new ATOM 0 HA ASP A 107 6.096 -6.182 9.959 1.00 0.30 H new ATOM 0 HB2 ASP A 107 4.059 -6.031 11.451 1.00 24.42 H new ATOM 0 HB3 ASP A 107 5.005 -4.562 11.323 1.00 24.42 H new ATOM 1659 N SER A 108 3.145 -7.225 9.268 1.00 52.51 N ATOM 1660 CA SER A 108 2.389 -8.392 8.846 1.00 63.44 C ATOM 1661 C SER A 108 1.880 -8.254 7.418 1.00 73.35 C ATOM 1662 O SER A 108 1.236 -9.166 6.885 1.00 74.41 O ATOM 1663 CB SER A 108 1.226 -8.617 9.797 1.00 63.22 C ATOM 1664 OG SER A 108 1.691 -8.811 11.124 1.00 71.21 O ATOM 0 H SER A 108 2.596 -6.534 9.779 1.00 52.51 H new ATOM 0 HA SER A 108 3.058 -9.252 8.871 1.00 63.44 H new ATOM 0 HB2 SER A 108 0.553 -7.761 9.764 1.00 63.22 H new ATOM 0 HB3 SER A 108 0.652 -9.486 9.477 1.00 63.22 H new ATOM 0 HG SER A 108 2.634 -9.076 11.105 1.00 71.21 H new ATOM 1670 N GLY A 109 2.174 -7.134 6.798 1.00 74.21 N ATOM 1671 CA GLY A 109 1.743 -6.923 5.448 1.00 54.12 C ATOM 1672 C GLY A 109 2.711 -6.078 4.659 1.00 74.31 C ATOM 1673 O GLY A 109 3.487 -5.305 5.234 1.00 31.41 O ATOM 0 H GLY A 109 2.705 -6.366 7.208 1.00 74.21 H new ATOM 0 HA2 GLY A 109 1.621 -7.887 4.954 1.00 54.12 H new ATOM 0 HA3 GLY A 109 0.765 -6.441 5.453 1.00 54.12 H new ATOM 1677 N ILE A 110 2.673 -6.230 3.350 1.00 24.54 N ATOM 1678 CA ILE A 110 3.509 -5.457 2.455 1.00 34.14 C ATOM 1679 C ILE A 110 2.720 -4.249 1.971 1.00 54.04 C ATOM 1680 O ILE A 110 1.553 -4.374 1.589 1.00 23.24 O ATOM 1681 CB ILE A 110 3.975 -6.299 1.244 1.00 71.04 C ATOM 1682 CG1 ILE A 110 4.652 -7.592 1.726 1.00 11.10 C ATOM 1683 CG2 ILE A 110 4.931 -5.490 0.370 1.00 74.01 C ATOM 1684 CD1 ILE A 110 5.074 -8.522 0.607 1.00 20.12 C ATOM 0 H ILE A 110 2.060 -6.894 2.877 1.00 24.54 H new ATOM 0 HA ILE A 110 4.400 -5.138 2.996 1.00 34.14 H new ATOM 0 HB ILE A 110 3.103 -6.564 0.647 1.00 71.04 H new ATOM 0 HG12 ILE A 110 5.529 -7.331 2.318 1.00 11.10 H new ATOM 0 HG13 ILE A 110 3.968 -8.123 2.387 1.00 11.10 H new ATOM 0 HG21 ILE A 110 5.250 -6.096 -0.478 1.00 74.01 H new ATOM 0 HG22 ILE A 110 4.424 -4.596 0.007 1.00 74.01 H new ATOM 0 HG23 ILE A 110 5.803 -5.199 0.957 1.00 74.01 H new ATOM 0 HD11 ILE A 110 5.543 -9.410 1.030 1.00 20.12 H new ATOM 0 HD12 ILE A 110 4.198 -8.815 0.028 1.00 20.12 H new ATOM 0 HD13 ILE A 110 5.784 -8.011 -0.043 1.00 20.12 H new ATOM 1696 N HIS A 111 3.341 -3.088 2.002 1.00 72.33 N ATOM 1697 CA HIS A 111 2.656 -1.854 1.661 1.00 14.01 C ATOM 1698 C HIS A 111 3.136 -1.292 0.333 1.00 24.42 C ATOM 1699 O HIS A 111 4.327 -1.286 0.047 1.00 43.10 O ATOM 1700 CB HIS A 111 2.884 -0.797 2.758 1.00 74.24 C ATOM 1701 CG HIS A 111 2.474 -1.219 4.141 1.00 51.50 C ATOM 1702 ND1 HIS A 111 1.415 -0.659 4.816 1.00 3.45 N ATOM 1703 CD2 HIS A 111 3.005 -2.135 4.983 1.00 34.12 C ATOM 1704 CE1 HIS A 111 1.316 -1.208 6.011 1.00 21.12 C ATOM 1705 NE2 HIS A 111 2.267 -2.109 6.137 1.00 51.00 N ATOM 0 H HIS A 111 4.321 -2.971 2.260 1.00 72.33 H new ATOM 0 HA HIS A 111 1.595 -2.088 1.578 1.00 14.01 H new ATOM 0 HB2 HIS A 111 3.941 -0.533 2.773 1.00 74.24 H new ATOM 0 HB3 HIS A 111 2.334 0.106 2.492 1.00 74.24 H new ATOM 0 HD2 HIS A 111 3.855 -2.770 4.782 1.00 34.12 H new ATOM 0 HE1 HIS A 111 0.579 -0.960 6.760 1.00 21.12 H new ATOM 0 HE2 HIS A 111 2.428 -2.692 6.958 1.00 51.00 H new ATOM 1714 N ILE A 112 2.202 -0.841 -0.477 1.00 51.23 N ATOM 1715 CA ILE A 112 2.529 -0.145 -1.709 1.00 35.34 C ATOM 1716 C ILE A 112 1.922 1.243 -1.635 1.00 5.01 C ATOM 1717 O ILE A 112 0.754 1.395 -1.252 1.00 33.00 O ATOM 1718 CB ILE A 112 1.999 -0.863 -2.973 1.00 14.41 C ATOM 1719 CG1 ILE A 112 2.400 -2.344 -2.969 1.00 44.15 C ATOM 1720 CG2 ILE A 112 2.519 -0.170 -4.231 1.00 43.13 C ATOM 1721 CD1 ILE A 112 2.028 -3.083 -4.241 1.00 23.33 C ATOM 0 H ILE A 112 1.202 -0.944 -0.305 1.00 51.23 H new ATOM 0 HA ILE A 112 3.615 -0.113 -1.799 1.00 35.34 H new ATOM 0 HB ILE A 112 0.910 -0.808 -2.968 1.00 14.41 H new ATOM 0 HG12 ILE A 112 3.477 -2.419 -2.818 1.00 44.15 H new ATOM 0 HG13 ILE A 112 1.925 -2.837 -2.121 1.00 44.15 H new ATOM 0 HG21 ILE A 112 2.139 -0.685 -5.113 1.00 43.13 H new ATOM 0 HG22 ILE A 112 2.181 0.866 -4.242 1.00 43.13 H new ATOM 0 HG23 ILE A 112 3.609 -0.196 -4.237 1.00 43.13 H new ATOM 0 HD11 ILE A 112 2.344 -4.123 -4.163 1.00 23.33 H new ATOM 0 HD12 ILE A 112 0.948 -3.041 -4.384 1.00 23.33 H new ATOM 0 HD13 ILE A 112 2.525 -2.616 -5.092 1.00 23.33 H new ATOM 1733 N ILE A 113 2.698 2.242 -1.971 1.00 51.30 N ATOM 1734 CA ILE A 113 2.254 3.612 -1.861 1.00 33.42 C ATOM 1735 C ILE A 113 2.204 4.278 -3.226 1.00 63.45 C ATOM 1736 O ILE A 113 3.114 4.119 -4.036 1.00 24.23 O ATOM 1737 CB ILE A 113 3.210 4.412 -0.960 1.00 62.51 C ATOM 1738 CG1 ILE A 113 3.502 3.642 0.329 1.00 55.15 C ATOM 1739 CG2 ILE A 113 2.623 5.785 -0.642 1.00 53.24 C ATOM 1740 CD1 ILE A 113 4.570 4.274 1.190 1.00 53.35 C ATOM 0 H ILE A 113 3.648 2.133 -2.326 1.00 51.30 H new ATOM 0 HA ILE A 113 1.254 3.601 -1.427 1.00 33.42 H new ATOM 0 HB ILE A 113 4.148 4.555 -1.496 1.00 62.51 H new ATOM 0 HG12 ILE A 113 2.582 3.561 0.909 1.00 55.15 H new ATOM 0 HG13 ILE A 113 3.808 2.628 0.073 1.00 55.15 H new ATOM 0 HG21 ILE A 113 3.313 6.337 -0.004 1.00 53.24 H new ATOM 0 HG22 ILE A 113 2.466 6.337 -1.569 1.00 53.24 H new ATOM 0 HG23 ILE A 113 1.670 5.663 -0.126 1.00 53.24 H new ATOM 0 HD11 ILE A 113 4.720 3.670 2.085 1.00 53.35 H new ATOM 0 HD12 ILE A 113 5.503 4.330 0.629 1.00 53.35 H new ATOM 0 HD13 ILE A 113 4.258 5.278 1.478 1.00 53.35 H new ATOM 1752 N LEU A 114 1.143 5.013 -3.474 1.00 34.41 N ATOM 1753 CA LEU A 114 1.008 5.763 -4.704 1.00 2.04 C ATOM 1754 C LEU A 114 0.621 7.191 -4.360 1.00 21.24 C ATOM 1755 O LEU A 114 -0.453 7.436 -3.804 1.00 25.53 O ATOM 1756 CB LEU A 114 -0.037 5.104 -5.633 1.00 43.15 C ATOM 1757 CG LEU A 114 -0.066 5.597 -7.097 1.00 1.33 C ATOM 1758 CD1 LEU A 114 -0.756 4.574 -7.982 1.00 23.02 C ATOM 1759 CD2 LEU A 114 -0.776 6.940 -7.216 1.00 43.10 C ATOM 0 H LEU A 114 0.354 5.108 -2.834 1.00 34.41 H new ATOM 0 HA LEU A 114 1.956 5.768 -5.242 1.00 2.04 H new ATOM 0 HB2 LEU A 114 0.141 4.029 -5.639 1.00 43.15 H new ATOM 0 HB3 LEU A 114 -1.025 5.261 -5.201 1.00 43.15 H new ATOM 0 HG LEU A 114 0.966 5.724 -7.425 1.00 1.33 H new ATOM 0 HD11 LEU A 114 -0.770 4.933 -9.011 1.00 23.02 H new ATOM 0 HD12 LEU A 114 -0.215 3.629 -7.935 1.00 23.02 H new ATOM 0 HD13 LEU A 114 -1.779 4.425 -7.636 1.00 23.02 H new ATOM 0 HD21 LEU A 114 -0.779 7.259 -8.258 1.00 43.10 H new ATOM 0 HD22 LEU A 114 -1.803 6.841 -6.864 1.00 43.10 H new ATOM 0 HD23 LEU A 114 -0.255 7.682 -6.611 1.00 43.10 H new ATOM 1771 N ARG A 115 1.501 8.127 -4.665 1.00 30.44 N ATOM 1772 CA ARG A 115 1.260 9.523 -4.345 1.00 22.13 C ATOM 1773 C ARG A 115 0.254 10.145 -5.300 1.00 65.53 C ATOM 1774 O ARG A 115 0.460 10.165 -6.519 1.00 31.11 O ATOM 1775 CB ARG A 115 2.564 10.321 -4.357 1.00 32.24 C ATOM 1776 CG ARG A 115 2.368 11.800 -4.066 1.00 33.23 C ATOM 1777 CD ARG A 115 3.686 12.545 -4.037 1.00 35.24 C ATOM 1778 NE ARG A 115 3.492 13.983 -3.848 1.00 74.44 N ATOM 1779 CZ ARG A 115 4.476 14.868 -3.706 1.00 54.02 C ATOM 1780 NH1 ARG A 115 5.747 14.478 -3.737 1.00 44.53 N ATOM 1781 NH2 ARG A 115 4.187 16.147 -3.525 1.00 62.42 N ATOM 0 H ARG A 115 2.389 7.947 -5.134 1.00 30.44 H new ATOM 0 HA ARG A 115 0.841 9.558 -3.339 1.00 22.13 H new ATOM 0 HB2 ARG A 115 3.246 9.900 -3.618 1.00 32.24 H new ATOM 0 HB3 ARG A 115 3.041 10.210 -5.331 1.00 32.24 H new ATOM 0 HG2 ARG A 115 1.720 12.237 -4.825 1.00 33.23 H new ATOM 0 HG3 ARG A 115 1.862 11.918 -3.108 1.00 33.23 H new ATOM 0 HD2 ARG A 115 4.308 12.153 -3.232 1.00 35.24 H new ATOM 0 HD3 ARG A 115 4.223 12.370 -4.969 1.00 35.24 H new ATOM 0 HE ARG A 115 2.534 14.332 -3.823 1.00 74.44 H new ATOM 0 HH11 ARG A 115 5.975 13.493 -3.871 1.00 44.53 H new ATOM 0 HH12 ARG A 115 6.494 15.164 -3.627 1.00 44.53 H new ATOM 0 HH21 ARG A 115 3.214 16.451 -3.495 1.00 62.42 H new ATOM 0 HH22 ARG A 115 4.938 16.829 -3.416 1.00 62.42 H new ATOM 1795 N THR A 116 -0.825 10.647 -4.746 1.00 11.24 N ATOM 1796 CA THR A 116 -1.857 11.282 -5.521 1.00 74.03 C ATOM 1797 C THR A 116 -1.562 12.777 -5.663 1.00 44.51 C ATOM 1798 O THR A 116 -1.462 13.298 -6.776 1.00 14.40 O ATOM 1799 CB THR A 116 -3.235 11.088 -4.857 1.00 11.44 C ATOM 1800 OG1 THR A 116 -3.419 9.702 -4.519 1.00 35.11 O ATOM 1801 CG2 THR A 116 -4.350 11.529 -5.792 1.00 65.12 C ATOM 0 H THR A 116 -1.009 10.625 -3.743 1.00 11.24 H new ATOM 0 HA THR A 116 -1.876 10.821 -6.508 1.00 74.03 H new ATOM 0 HB THR A 116 -3.271 11.698 -3.954 1.00 11.44 H new ATOM 0 HG1 THR A 116 -4.295 9.582 -4.096 1.00 35.11 H new ATOM 0 HG21 THR A 116 -5.313 11.383 -5.303 1.00 65.12 H new ATOM 0 HG22 THR A 116 -4.223 12.583 -6.038 1.00 65.12 H new ATOM 0 HG23 THR A 116 -4.314 10.937 -6.706 1.00 65.12 H new ATOM 1809 N GLU A 117 -1.394 13.452 -4.529 1.00 1.20 N ATOM 1810 CA GLU A 117 -1.124 14.883 -4.518 1.00 30.12 C ATOM 1811 C GLU A 117 -0.011 15.206 -3.527 1.00 13.12 C ATOM 1812 O GLU A 117 1.153 15.319 -3.957 1.00 0.00 O ATOM 1813 CB GLU A 117 -2.393 15.680 -4.165 1.00 30.41 C ATOM 1814 CG GLU A 117 -3.563 15.436 -5.106 1.00 23.11 C ATOM 1815 CD GLU A 117 -4.751 16.316 -4.799 1.00 24.44 C ATOM 1816 OE1 GLU A 117 -4.720 17.507 -5.172 1.00 14.43 O ATOM 1817 OE2 GLU A 117 -5.725 15.829 -4.184 1.00 64.33 O ATOM 1818 OXT GLU A 117 -0.302 15.336 -2.319 1.00 0.00 O ATOM 0 H GLU A 117 -1.441 13.027 -3.603 1.00 1.20 H new ATOM 0 HA GLU A 117 -0.803 15.173 -5.518 1.00 30.12 H new ATOM 0 HB2 GLU A 117 -2.698 15.425 -3.150 1.00 30.41 H new ATOM 0 HB3 GLU A 117 -2.154 16.743 -4.169 1.00 30.41 H new ATOM 0 HG2 GLU A 117 -3.241 15.612 -6.132 1.00 23.11 H new ATOM 0 HG3 GLU A 117 -3.864 14.390 -5.041 1.00 23.11 H new