USER MOD reduce.3.24.130724 H: found=0, std=0, add=1129, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1129 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 99 MET CE :methyl -151:sc=-0.00211 (180deg=-0.000999) USER MOD Set 1.2: A 100 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 28 MET CE :methyl -163:sc= -0.0107 (180deg=-0.151) USER MOD Set 2.2: A 110 MET CE :methyl -115:sc= -2.18 (180deg=-4.01!) USER MOD Single : A 10 SER OG : rot -28:sc= 0.55 USER MOD Single : A 11 ASN :FLIP amide:sc= -0.0873 F(o=-1.4,f=-0.087) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 ASN :FLIP amide:sc= -0.315 F(o=-1.4,f=-0.31) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 156:sc= 0.177 (180deg=0.0489) USER MOD Single : A 29 SER OG : rot 83:sc= 1.1 USER MOD Single : A 30 SER OG : rot 180:sc= -0.0711 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 TYR OH : rot 150:sc= -0.384 USER MOD Single : A 43 MET CE :methyl -123:sc= -0.756 (180deg=-4.95!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 79:sc= 1.21 USER MOD Single : A 57 THR OG1 : rot 160:sc= -1.08 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 68:sc= 0.0282 USER MOD Single : A 69 THR OG1 : rot -46:sc= 0.0898 USER MOD Single : A 70 HIS :FLIP no HD1:sc= -0.133 F(o=-0.79,f=-0.13) USER MOD Single : A 75 MET CE :methyl 177:sc= 0 (180deg=-0.0135) USER MOD Single : A 77 GLN : amide:sc= -0.511 K(o=-0.51,f=-1.8) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 ASN : amide:sc= -0.155 K(o=-0.16,f=-2.1!) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 89 ASN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 MET CE :methyl 140:sc= -2.58 (180deg=-6.92!) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 GLN : amide:sc= -0.271 K(o=-0.27,f=-2.3) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 66:sc= 0.0163 USER MOD Single : A 103 GLN : amide:sc= -1.73! C(o=-1.7!,f=-2.1!) USER MOD Single : A 104 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 TYR OH : rot 180:sc= -0.145 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.0182) USER MOD Single : A 109 GLN : amide:sc= -0.104 X(o=-0.1,f=-0.1) USER MOD Single : A 112 THR OG1 : rot 70:sc= 1.05 USER MOD Single : A 115 HIS : no HE2:sc= -3.63! X(o=-3.6!,f=-3.9) USER MOD Single : A 122 LYS NZ :NH3+ 168:sc= 0.00411 (180deg=0.000732) USER MOD Single : A 123 ASN : amide:sc= -0.607 K(o=-0.61,f=-1.7) USER MOD Single : A 130 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 135 MET CE :methyl 152:sc= -0.151 (180deg=-0.816) USER MOD Single : A 137 SER OG : rot -64:sc= 0.791 USER MOD ----------------------------------------------------------------- ATOM 97 N SER A 10 4.456 6.157 -8.848 1.00 32.53 N ATOM 98 CA SER A 10 5.285 7.325 -9.119 1.00 61.11 C ATOM 99 C SER A 10 5.901 7.242 -10.513 1.00 0.05 C ATOM 100 O SER A 10 5.929 8.226 -11.250 1.00 53.11 O ATOM 101 CB SER A 10 6.389 7.448 -8.068 1.00 5.15 C ATOM 102 OG SER A 10 6.769 6.175 -7.575 1.00 31.22 O ATOM 0 HA SER A 10 4.650 8.210 -9.073 1.00 61.11 H new ATOM 0 HB2 SER A 10 7.255 7.946 -8.503 1.00 5.15 H new ATOM 0 HB3 SER A 10 6.043 8.072 -7.244 1.00 5.15 H new ATOM 0 HG SER A 10 6.008 5.561 -7.634 1.00 31.22 H new ATOM 108 N ASN A 11 6.394 6.059 -10.865 1.00 42.32 N ATOM 109 CA ASN A 11 7.011 5.847 -12.170 1.00 33.53 C ATOM 110 C ASN A 11 6.030 6.166 -13.294 1.00 33.34 C ATOM 111 O ASN A 11 6.424 6.634 -14.362 1.00 23.14 O ATOM 112 CB ASN A 11 7.497 4.402 -12.297 1.00 64.43 C ATOM 113 CG ASN A 11 7.864 4.039 -13.723 1.00 71.24 C ATOM 114 OD1 ASN A 11 8.590 4.927 -14.392 1.00 13.12 O flip ATOM 115 ND2 ASN A 11 7.499 2.972 -14.218 1.00 12.41 N flip ATOM 0 H ASN A 11 6.379 5.234 -10.266 1.00 42.32 H new ATOM 0 HA ASN A 11 7.864 6.520 -12.255 1.00 33.53 H new ATOM 0 HB2 ASN A 11 8.364 4.255 -11.653 1.00 64.43 H new ATOM 0 HB3 ASN A 11 6.718 3.727 -11.942 1.00 64.43 H new ATOM 0 HD21 ASN A 11 6.942 2.318 -13.667 1.00 12.41 H new ATOM 0 HD22 ASN A 11 7.754 2.742 -15.178 1.00 12.41 H new ATOM 122 N ASP A 12 4.750 5.910 -13.045 1.00 21.41 N ATOM 123 CA ASP A 12 3.712 6.171 -14.035 1.00 34.13 C ATOM 124 C ASP A 12 3.214 7.609 -13.933 1.00 51.43 C ATOM 125 O ASP A 12 2.743 8.186 -14.914 1.00 72.40 O ATOM 126 CB ASP A 12 2.544 5.200 -13.849 1.00 45.02 C ATOM 127 CG ASP A 12 2.651 3.988 -14.753 1.00 74.34 C ATOM 128 OD1 ASP A 12 3.767 3.444 -14.888 1.00 72.43 O ATOM 129 OD2 ASP A 12 1.617 3.583 -15.325 1.00 64.45 O ATOM 0 H ASP A 12 4.407 5.522 -12.166 1.00 21.41 H new ATOM 0 HA ASP A 12 4.143 6.023 -15.025 1.00 34.13 H new ATOM 0 HB2 ASP A 12 2.509 4.873 -12.810 1.00 45.02 H new ATOM 0 HB3 ASP A 12 1.607 5.719 -14.051 1.00 45.02 H new ATOM 134 N LYS A 13 3.320 8.184 -12.740 1.00 43.10 N ATOM 135 CA LYS A 13 2.882 9.555 -12.509 1.00 13.23 C ATOM 136 C LYS A 13 3.624 10.525 -13.423 1.00 14.33 C ATOM 137 O LYS A 13 3.007 11.280 -14.175 1.00 10.45 O ATOM 138 CB LYS A 13 3.105 9.944 -11.046 1.00 4.14 C ATOM 139 CG LYS A 13 1.910 10.633 -10.410 1.00 22.23 C ATOM 140 CD LYS A 13 1.796 10.300 -8.932 1.00 20.34 C ATOM 141 CE LYS A 13 1.181 11.448 -8.147 1.00 54.43 C ATOM 142 NZ LYS A 13 2.174 12.520 -7.862 1.00 3.23 N ATOM 0 H LYS A 13 3.706 7.721 -11.917 1.00 43.10 H new ATOM 0 HA LYS A 13 1.817 9.613 -12.736 1.00 13.23 H new ATOM 0 HB2 LYS A 13 3.344 9.048 -10.473 1.00 4.14 H new ATOM 0 HB3 LYS A 13 3.970 10.604 -10.982 1.00 4.14 H new ATOM 0 HG2 LYS A 13 2.002 11.712 -10.535 1.00 22.23 H new ATOM 0 HG3 LYS A 13 0.998 10.329 -10.924 1.00 22.23 H new ATOM 0 HD2 LYS A 13 1.187 9.405 -8.806 1.00 20.34 H new ATOM 0 HD3 LYS A 13 2.784 10.073 -8.532 1.00 20.34 H new ATOM 0 HE2 LYS A 13 0.346 11.866 -8.709 1.00 54.43 H new ATOM 0 HE3 LYS A 13 0.775 11.070 -7.209 1.00 54.43 H new ATOM 0 HZ1 LYS A 13 1.716 13.284 -7.326 1.00 3.23 H new ATOM 0 HZ2 LYS A 13 2.958 12.127 -7.303 1.00 3.23 H new ATOM 0 HZ3 LYS A 13 2.543 12.899 -8.758 1.00 3.23 H new ATOM 156 N VAL A 14 4.951 10.499 -13.354 1.00 32.40 N ATOM 157 CA VAL A 14 5.777 11.374 -14.177 1.00 72.32 C ATOM 158 C VAL A 14 5.588 11.073 -15.660 1.00 23.42 C ATOM 159 O VAL A 14 5.592 11.979 -16.493 1.00 65.44 O ATOM 160 CB VAL A 14 7.269 11.235 -13.822 1.00 60.40 C ATOM 161 CG1 VAL A 14 7.733 9.799 -14.017 1.00 51.20 C ATOM 162 CG2 VAL A 14 8.106 12.192 -14.656 1.00 43.23 C ATOM 0 H VAL A 14 5.477 9.881 -12.736 1.00 32.40 H new ATOM 0 HA VAL A 14 5.457 12.396 -13.973 1.00 72.32 H new ATOM 0 HB VAL A 14 7.400 11.494 -12.772 1.00 60.40 H new ATOM 0 HG11 VAL A 14 8.790 9.720 -13.761 1.00 51.20 H new ATOM 0 HG12 VAL A 14 7.153 9.139 -13.372 1.00 51.20 H new ATOM 0 HG13 VAL A 14 7.589 9.508 -15.058 1.00 51.20 H new ATOM 0 HG21 VAL A 14 9.158 12.080 -14.392 1.00 43.23 H new ATOM 0 HG22 VAL A 14 7.971 11.966 -15.714 1.00 43.23 H new ATOM 0 HG23 VAL A 14 7.790 13.217 -14.461 1.00 43.23 H new ATOM 172 N TYR A 15 5.423 9.795 -15.982 1.00 34.54 N ATOM 173 CA TYR A 15 5.234 9.373 -17.365 1.00 22.14 C ATOM 174 C TYR A 15 3.842 9.747 -17.863 1.00 51.35 C ATOM 175 O TYR A 15 3.588 9.769 -19.067 1.00 75.52 O ATOM 176 CB TYR A 15 5.445 7.863 -17.493 1.00 1.33 C ATOM 177 CG TYR A 15 5.179 7.331 -18.883 1.00 30.45 C ATOM 178 CD1 TYR A 15 5.680 7.979 -20.004 1.00 54.34 C ATOM 179 CD2 TYR A 15 4.427 6.177 -19.073 1.00 44.55 C ATOM 180 CE1 TYR A 15 5.438 7.496 -21.276 1.00 2.40 C ATOM 181 CE2 TYR A 15 4.182 5.686 -20.341 1.00 42.53 C ATOM 182 CZ TYR A 15 4.689 6.350 -21.439 1.00 62.32 C ATOM 183 OH TYR A 15 4.448 5.865 -22.704 1.00 73.32 O ATOM 0 H TYR A 15 5.416 9.033 -15.304 1.00 34.54 H new ATOM 0 HA TYR A 15 5.971 9.890 -17.980 1.00 22.14 H new ATOM 0 HB2 TYR A 15 6.470 7.622 -17.211 1.00 1.33 H new ATOM 0 HB3 TYR A 15 4.791 7.352 -16.786 1.00 1.33 H new ATOM 0 HD1 TYR A 15 6.269 8.876 -19.880 1.00 54.34 H new ATOM 0 HD2 TYR A 15 4.028 5.656 -18.215 1.00 44.55 H new ATOM 0 HE1 TYR A 15 5.833 8.013 -22.138 1.00 2.40 H new ATOM 0 HE2 TYR A 15 3.597 4.788 -20.472 1.00 42.53 H new ATOM 0 HH TYR A 15 3.906 5.051 -22.644 1.00 73.32 H new ATOM 193 N GLU A 16 2.945 10.043 -16.928 1.00 33.41 N ATOM 194 CA GLU A 16 1.578 10.416 -17.272 1.00 51.21 C ATOM 195 C GLU A 16 1.455 11.927 -17.448 1.00 13.14 C ATOM 196 O GLU A 16 1.128 12.412 -18.530 1.00 0.11 O ATOM 197 CB GLU A 16 0.607 9.936 -16.191 1.00 51.43 C ATOM 198 CG GLU A 16 -0.086 8.628 -16.533 1.00 52.21 C ATOM 199 CD GLU A 16 -1.495 8.833 -17.055 1.00 13.45 C ATOM 200 OE1 GLU A 16 -2.367 9.250 -16.263 1.00 44.01 O ATOM 201 OE2 GLU A 16 -1.726 8.577 -18.255 1.00 11.11 O ATOM 0 H GLU A 16 3.140 10.032 -15.927 1.00 33.41 H new ATOM 0 HA GLU A 16 1.324 9.936 -18.217 1.00 51.21 H new ATOM 0 HB2 GLU A 16 1.151 9.815 -15.254 1.00 51.43 H new ATOM 0 HB3 GLU A 16 -0.148 10.705 -16.025 1.00 51.43 H new ATOM 0 HG2 GLU A 16 0.501 8.095 -17.281 1.00 52.21 H new ATOM 0 HG3 GLU A 16 -0.120 7.996 -15.645 1.00 52.21 H new ATOM 208 N ASN A 17 1.718 12.665 -16.374 1.00 63.00 N ATOM 209 CA ASN A 17 1.636 14.121 -16.408 1.00 61.31 C ATOM 210 C ASN A 17 2.442 14.684 -17.574 1.00 64.15 C ATOM 211 O ASN A 17 2.035 15.654 -18.213 1.00 44.35 O ATOM 212 CB ASN A 17 2.142 14.712 -15.091 1.00 23.11 C ATOM 213 CG ASN A 17 2.105 16.228 -15.085 1.00 72.14 C ATOM 214 OD1 ASN A 17 3.162 16.848 -15.598 1.00 52.31 O flip ATOM 215 ND2 ASN A 17 1.137 16.834 -14.626 1.00 33.44 N flip ATOM 0 H ASN A 17 1.990 12.279 -15.470 1.00 63.00 H new ATOM 0 HA ASN A 17 0.591 14.398 -16.545 1.00 61.31 H new ATOM 0 HB2 ASN A 17 1.535 14.333 -14.269 1.00 23.11 H new ATOM 0 HB3 ASN A 17 3.164 14.376 -14.914 1.00 23.11 H new ATOM 0 HD21 ASN A 17 0.347 16.316 -14.242 1.00 33.44 H new ATOM 0 HD22 ASN A 17 1.125 17.854 -14.630 1.00 33.44 H new ATOM 222 N VAL A 18 3.588 14.068 -17.847 1.00 23.32 N ATOM 223 CA VAL A 18 4.452 14.506 -18.937 1.00 74.21 C ATOM 224 C VAL A 18 3.667 14.647 -20.237 1.00 31.24 C ATOM 225 O VAL A 18 4.013 15.454 -21.100 1.00 15.42 O ATOM 226 CB VAL A 18 5.618 13.525 -19.158 1.00 60.44 C ATOM 227 CG1 VAL A 18 5.097 12.168 -19.608 1.00 40.23 C ATOM 228 CG2 VAL A 18 6.604 14.089 -20.170 1.00 74.14 C ATOM 0 H VAL A 18 3.940 13.264 -17.328 1.00 23.32 H new ATOM 0 HA VAL A 18 4.854 15.478 -18.651 1.00 74.21 H new ATOM 0 HB VAL A 18 6.141 13.391 -18.211 1.00 60.44 H new ATOM 0 HG11 VAL A 18 5.936 11.488 -19.759 1.00 40.23 H new ATOM 0 HG12 VAL A 18 4.433 11.762 -18.845 1.00 40.23 H new ATOM 0 HG13 VAL A 18 4.548 12.281 -20.543 1.00 40.23 H new ATOM 0 HG21 VAL A 18 7.422 13.383 -20.314 1.00 74.14 H new ATOM 0 HG22 VAL A 18 6.096 14.254 -21.120 1.00 74.14 H new ATOM 0 HG23 VAL A 18 7.002 15.035 -19.802 1.00 74.14 H new ATOM 238 N THR A 19 2.607 13.855 -20.370 1.00 40.45 N ATOM 239 CA THR A 19 1.773 13.891 -21.565 1.00 33.11 C ATOM 240 C THR A 19 0.648 14.910 -21.420 1.00 44.11 C ATOM 241 O THR A 19 0.429 15.736 -22.305 1.00 15.22 O ATOM 242 CB THR A 19 1.162 12.509 -21.865 1.00 20.12 C ATOM 243 OG1 THR A 19 2.190 11.512 -21.880 1.00 52.01 O ATOM 244 CG2 THR A 19 0.436 12.517 -23.202 1.00 22.33 C ATOM 0 H THR A 19 2.306 13.182 -19.665 1.00 40.45 H new ATOM 0 HA THR A 19 2.419 14.182 -22.393 1.00 33.11 H new ATOM 0 HB THR A 19 0.442 12.276 -21.080 1.00 20.12 H new ATOM 0 HG1 THR A 19 1.793 10.636 -22.070 1.00 52.01 H new ATOM 0 HG21 THR A 19 0.013 11.531 -23.392 1.00 22.33 H new ATOM 0 HG22 THR A 19 -0.364 13.256 -23.177 1.00 22.33 H new ATOM 0 HG23 THR A 19 1.139 12.770 -23.996 1.00 22.33 H new ATOM 252 N GLY A 20 -0.061 14.846 -20.297 1.00 53.34 N ATOM 253 CA GLY A 20 -1.154 15.770 -20.057 1.00 54.14 C ATOM 254 C GLY A 20 -0.743 17.217 -20.248 1.00 35.31 C ATOM 255 O GLY A 20 -1.382 17.958 -20.996 1.00 13.11 O ATOM 0 H GLY A 20 0.102 14.171 -19.550 1.00 53.34 H new ATOM 0 HA2 GLY A 20 -1.977 15.537 -20.732 1.00 54.14 H new ATOM 0 HA3 GLY A 20 -1.526 15.632 -19.042 1.00 54.14 H new ATOM 259 N LEU A 21 0.325 17.621 -19.569 1.00 75.22 N ATOM 260 CA LEU A 21 0.820 18.990 -19.666 1.00 34.32 C ATOM 261 C LEU A 21 1.011 19.398 -21.123 1.00 13.00 C ATOM 262 O LEU A 21 0.746 20.540 -21.499 1.00 12.14 O ATOM 263 CB LEU A 21 2.141 19.130 -18.907 1.00 74.15 C ATOM 264 CG LEU A 21 3.361 18.477 -19.558 1.00 74.02 C ATOM 265 CD1 LEU A 21 4.039 19.447 -20.513 1.00 62.32 C ATOM 266 CD2 LEU A 21 4.340 17.999 -18.496 1.00 33.30 C ATOM 0 H LEU A 21 0.865 17.021 -18.946 1.00 75.22 H new ATOM 0 HA LEU A 21 0.079 19.651 -19.218 1.00 34.32 H new ATOM 0 HB2 LEU A 21 2.350 20.191 -18.774 1.00 74.15 H new ATOM 0 HB3 LEU A 21 2.013 18.703 -17.912 1.00 74.15 H new ATOM 0 HG LEU A 21 3.025 17.612 -20.129 1.00 74.02 H new ATOM 0 HD11 LEU A 21 4.905 18.965 -20.967 1.00 62.32 H new ATOM 0 HD12 LEU A 21 3.337 19.740 -21.293 1.00 62.32 H new ATOM 0 HD13 LEU A 21 4.362 20.332 -19.964 1.00 62.32 H new ATOM 0 HD21 LEU A 21 5.202 17.537 -18.977 1.00 33.30 H new ATOM 0 HD22 LEU A 21 4.670 18.848 -17.897 1.00 33.30 H new ATOM 0 HD23 LEU A 21 3.850 17.269 -17.851 1.00 33.30 H new ATOM 278 N VAL A 22 1.471 18.456 -21.941 1.00 15.33 N ATOM 279 CA VAL A 22 1.694 18.717 -23.358 1.00 31.32 C ATOM 280 C VAL A 22 0.382 19.016 -24.075 1.00 63.41 C ATOM 281 O VAL A 22 0.333 19.847 -24.982 1.00 12.13 O ATOM 282 CB VAL A 22 2.382 17.523 -24.046 1.00 43.11 C ATOM 283 CG1 VAL A 22 2.568 17.797 -25.531 1.00 4.33 C ATOM 284 CG2 VAL A 22 3.716 17.221 -23.380 1.00 2.30 C ATOM 0 H VAL A 22 1.696 17.506 -21.647 1.00 15.33 H new ATOM 0 HA VAL A 22 2.346 19.589 -23.421 1.00 31.32 H new ATOM 0 HB VAL A 22 1.742 16.647 -23.940 1.00 43.11 H new ATOM 0 HG11 VAL A 22 3.056 16.943 -26.000 1.00 4.33 H new ATOM 0 HG12 VAL A 22 1.596 17.960 -25.995 1.00 4.33 H new ATOM 0 HG13 VAL A 22 3.186 18.685 -25.662 1.00 4.33 H new ATOM 0 HG21 VAL A 22 4.188 16.375 -23.879 1.00 2.30 H new ATOM 0 HG22 VAL A 22 4.365 18.094 -23.453 1.00 2.30 H new ATOM 0 HG23 VAL A 22 3.552 16.978 -22.330 1.00 2.30 H new ATOM 294 N LYS A 23 -0.680 18.332 -23.663 1.00 10.21 N ATOM 295 CA LYS A 23 -1.994 18.525 -24.264 1.00 35.41 C ATOM 296 C LYS A 23 -2.461 19.968 -24.102 1.00 21.21 C ATOM 297 O LYS A 23 -3.006 20.562 -25.032 1.00 24.12 O ATOM 298 CB LYS A 23 -3.012 17.574 -23.629 1.00 53.21 C ATOM 299 CG LYS A 23 -2.614 16.111 -23.714 1.00 45.11 C ATOM 300 CD LYS A 23 -2.948 15.520 -25.073 1.00 61.04 C ATOM 301 CE LYS A 23 -2.331 14.141 -25.249 1.00 23.15 C ATOM 302 NZ LYS A 23 -3.293 13.175 -25.848 1.00 24.23 N ATOM 0 H LYS A 23 -0.656 17.639 -22.915 1.00 10.21 H new ATOM 0 HA LYS A 23 -1.914 18.305 -25.329 1.00 35.41 H new ATOM 0 HB2 LYS A 23 -3.146 17.845 -22.582 1.00 53.21 H new ATOM 0 HB3 LYS A 23 -3.977 17.708 -24.119 1.00 53.21 H new ATOM 0 HG2 LYS A 23 -1.545 16.012 -23.526 1.00 45.11 H new ATOM 0 HG3 LYS A 23 -3.128 15.547 -22.935 1.00 45.11 H new ATOM 0 HD2 LYS A 23 -4.030 15.452 -25.185 1.00 61.04 H new ATOM 0 HD3 LYS A 23 -2.587 16.184 -25.858 1.00 61.04 H new ATOM 0 HE2 LYS A 23 -1.449 14.216 -25.885 1.00 23.15 H new ATOM 0 HE3 LYS A 23 -1.996 13.767 -24.282 1.00 23.15 H new ATOM 0 HZ1 LYS A 23 -2.769 12.410 -26.319 1.00 24.23 H new ATOM 0 HZ2 LYS A 23 -3.893 12.773 -25.100 1.00 24.23 H new ATOM 0 HZ3 LYS A 23 -3.890 13.666 -26.544 1.00 24.23 H new ATOM 316 N ALA A 24 -2.242 20.526 -22.916 1.00 11.01 N ATOM 317 CA ALA A 24 -2.637 21.901 -22.634 1.00 21.50 C ATOM 318 C ALA A 24 -1.779 22.889 -23.416 1.00 52.51 C ATOM 319 O ALA A 24 -2.285 23.871 -23.960 1.00 74.24 O ATOM 320 CB ALA A 24 -2.542 22.181 -21.142 1.00 2.54 C ATOM 0 H ALA A 24 -1.793 20.047 -22.135 1.00 11.01 H new ATOM 0 HA ALA A 24 -3.672 22.029 -22.951 1.00 21.50 H new ATOM 0 HB1 ALA A 24 -2.840 23.211 -20.945 1.00 2.54 H new ATOM 0 HB2 ALA A 24 -3.203 21.503 -20.602 1.00 2.54 H new ATOM 0 HB3 ALA A 24 -1.515 22.030 -20.808 1.00 2.54 H new ATOM 326 N VAL A 25 -0.477 22.625 -23.468 1.00 14.24 N ATOM 327 CA VAL A 25 0.451 23.492 -24.184 1.00 31.03 C ATOM 328 C VAL A 25 0.091 23.580 -25.663 1.00 22.24 C ATOM 329 O VAL A 25 0.132 24.657 -26.259 1.00 23.53 O ATOM 330 CB VAL A 25 1.902 22.994 -24.048 1.00 60.23 C ATOM 331 CG1 VAL A 25 2.867 23.979 -24.690 1.00 60.12 C ATOM 332 CG2 VAL A 25 2.253 22.768 -22.585 1.00 72.54 C ATOM 0 H VAL A 25 -0.041 21.817 -23.023 1.00 14.24 H new ATOM 0 HA VAL A 25 0.371 24.482 -23.735 1.00 31.03 H new ATOM 0 HB VAL A 25 1.991 22.042 -24.571 1.00 60.23 H new ATOM 0 HG11 VAL A 25 3.887 23.610 -24.584 1.00 60.12 H new ATOM 0 HG12 VAL A 25 2.628 24.086 -25.748 1.00 60.12 H new ATOM 0 HG13 VAL A 25 2.778 24.948 -24.199 1.00 60.12 H new ATOM 0 HG21 VAL A 25 3.282 22.416 -22.508 1.00 72.54 H new ATOM 0 HG22 VAL A 25 2.147 23.704 -22.037 1.00 72.54 H new ATOM 0 HG23 VAL A 25 1.582 22.021 -22.161 1.00 72.54 H new ATOM 342 N ILE A 26 -0.262 22.441 -26.249 1.00 24.24 N ATOM 343 CA ILE A 26 -0.630 22.390 -27.658 1.00 33.51 C ATOM 344 C ILE A 26 -2.051 22.901 -27.874 1.00 4.05 C ATOM 345 O ILE A 26 -2.286 23.772 -28.711 1.00 34.45 O ATOM 346 CB ILE A 26 -0.522 20.958 -28.217 1.00 3.44 C ATOM 347 CG1 ILE A 26 0.906 20.432 -28.055 1.00 73.45 C ATOM 348 CG2 ILE A 26 -0.942 20.927 -29.678 1.00 42.35 C ATOM 349 CD1 ILE A 26 1.929 21.205 -28.858 1.00 22.54 C ATOM 0 H ILE A 26 -0.301 21.541 -25.770 1.00 24.24 H new ATOM 0 HA ILE A 26 0.071 23.033 -28.190 1.00 33.51 H new ATOM 0 HB ILE A 26 -1.194 20.311 -27.653 1.00 3.44 H new ATOM 0 HG12 ILE A 26 1.181 20.468 -27.001 1.00 73.45 H new ATOM 0 HG13 ILE A 26 0.935 19.385 -28.356 1.00 73.45 H new ATOM 0 HG21 ILE A 26 -0.860 19.909 -30.059 1.00 42.35 H new ATOM 0 HG22 ILE A 26 -1.974 21.266 -29.767 1.00 42.35 H new ATOM 0 HG23 ILE A 26 -0.293 21.584 -30.257 1.00 42.35 H new ATOM 0 HD11 ILE A 26 2.918 20.777 -28.695 1.00 22.54 H new ATOM 0 HD12 ILE A 26 1.679 21.148 -29.917 1.00 22.54 H new ATOM 0 HD13 ILE A 26 1.928 22.248 -28.541 1.00 22.54 H new ATOM 361 N GLU A 27 -2.993 22.355 -27.111 1.00 23.20 N ATOM 362 CA GLU A 27 -4.390 22.757 -27.219 1.00 11.24 C ATOM 363 C GLU A 27 -4.528 24.274 -27.129 1.00 43.41 C ATOM 364 O GLU A 27 -5.194 24.897 -27.955 1.00 14.20 O ATOM 365 CB GLU A 27 -5.221 22.093 -26.119 1.00 13.00 C ATOM 366 CG GLU A 27 -5.558 20.639 -26.404 1.00 44.05 C ATOM 367 CD GLU A 27 -6.967 20.459 -26.934 1.00 12.42 C ATOM 368 OE1 GLU A 27 -7.409 21.303 -27.742 1.00 65.34 O ATOM 369 OE2 GLU A 27 -7.629 19.477 -26.540 1.00 22.54 O ATOM 0 H GLU A 27 -2.814 21.634 -26.412 1.00 23.20 H new ATOM 0 HA GLU A 27 -4.761 22.432 -28.191 1.00 11.24 H new ATOM 0 HB2 GLU A 27 -4.676 22.153 -25.177 1.00 13.00 H new ATOM 0 HB3 GLU A 27 -6.147 22.653 -25.987 1.00 13.00 H new ATOM 0 HG2 GLU A 27 -4.848 20.241 -27.129 1.00 44.05 H new ATOM 0 HG3 GLU A 27 -5.441 20.057 -25.490 1.00 44.05 H new ATOM 376 N MET A 28 -3.893 24.862 -26.120 1.00 63.22 N ATOM 377 CA MET A 28 -3.944 26.306 -25.923 1.00 24.22 C ATOM 378 C MET A 28 -3.444 27.042 -27.162 1.00 22.22 C ATOM 379 O MET A 28 -4.064 28.002 -27.617 1.00 55.42 O ATOM 380 CB MET A 28 -3.107 26.705 -24.706 1.00 10.42 C ATOM 381 CG MET A 28 -3.265 28.165 -24.312 1.00 55.12 C ATOM 382 SD MET A 28 -1.735 29.102 -24.487 1.00 62.32 S ATOM 383 CE MET A 28 -0.727 28.343 -23.216 1.00 5.31 C ATOM 0 H MET A 28 -3.337 24.361 -25.427 1.00 63.22 H new ATOM 0 HA MET A 28 -4.983 26.588 -25.750 1.00 24.22 H new ATOM 0 HB2 MET A 28 -3.387 26.077 -23.861 1.00 10.42 H new ATOM 0 HB3 MET A 28 -2.056 26.506 -24.917 1.00 10.42 H new ATOM 0 HG2 MET A 28 -4.039 28.622 -24.929 1.00 55.12 H new ATOM 0 HG3 MET A 28 -3.606 28.223 -23.278 1.00 55.12 H new ATOM 0 HE1 MET A 28 0.121 28.990 -22.989 1.00 5.31 H new ATOM 0 HE2 MET A 28 -1.324 28.199 -22.316 1.00 5.31 H new ATOM 0 HE3 MET A 28 -0.363 27.378 -23.568 1.00 5.31 H new ATOM 393 N SER A 29 -2.319 26.585 -27.702 1.00 44.34 N ATOM 394 CA SER A 29 -1.734 27.203 -28.886 1.00 44.54 C ATOM 395 C SER A 29 -2.707 27.157 -30.060 1.00 41.34 C ATOM 396 O SER A 29 -2.590 27.934 -31.009 1.00 34.44 O ATOM 397 CB SER A 29 -0.429 26.499 -29.263 1.00 44.53 C ATOM 398 OG SER A 29 0.523 26.595 -28.217 1.00 52.05 O ATOM 0 H SER A 29 -1.795 25.789 -27.339 1.00 44.34 H new ATOM 0 HA SER A 29 -1.522 28.246 -28.653 1.00 44.54 H new ATOM 0 HB2 SER A 29 -0.628 25.450 -29.482 1.00 44.53 H new ATOM 0 HB3 SER A 29 -0.022 26.943 -30.171 1.00 44.53 H new ATOM 0 HG SER A 29 0.348 25.898 -27.551 1.00 52.05 H new ATOM 404 N SER A 30 -3.667 26.241 -29.989 1.00 53.20 N ATOM 405 CA SER A 30 -4.660 26.090 -31.047 1.00 25.12 C ATOM 406 C SER A 30 -5.702 27.202 -30.977 1.00 61.30 C ATOM 407 O SER A 30 -5.995 27.859 -31.976 1.00 64.44 O ATOM 408 CB SER A 30 -5.344 24.726 -30.941 1.00 74.14 C ATOM 409 OG SER A 30 -6.736 24.870 -30.717 1.00 72.02 O ATOM 0 H SER A 30 -3.779 25.592 -29.210 1.00 53.20 H new ATOM 0 HA SER A 30 -4.147 26.158 -32.006 1.00 25.12 H new ATOM 0 HB2 SER A 30 -5.177 24.159 -31.857 1.00 74.14 H new ATOM 0 HB3 SER A 30 -4.899 24.154 -30.127 1.00 74.14 H new ATOM 0 HG SER A 30 -7.151 23.984 -30.654 1.00 72.02 H new ATOM 415 N LYS A 31 -6.260 27.407 -29.789 1.00 3.33 N ATOM 416 CA LYS A 31 -7.269 28.440 -29.585 1.00 20.30 C ATOM 417 C LYS A 31 -6.657 29.678 -28.938 1.00 14.21 C ATOM 418 O LYS A 31 -7.355 30.462 -28.294 1.00 15.10 O ATOM 419 CB LYS A 31 -8.407 27.904 -28.712 1.00 43.55 C ATOM 420 CG LYS A 31 -7.936 27.311 -27.396 1.00 10.01 C ATOM 421 CD LYS A 31 -9.101 27.032 -26.462 1.00 14.23 C ATOM 422 CE LYS A 31 -9.596 25.600 -26.599 1.00 4.21 C ATOM 423 NZ LYS A 31 -9.760 24.941 -25.274 1.00 33.11 N ATOM 0 H LYS A 31 -6.030 26.871 -28.952 1.00 3.33 H new ATOM 0 HA LYS A 31 -7.668 28.721 -30.560 1.00 20.30 H new ATOM 0 HB2 LYS A 31 -9.108 28.713 -28.506 1.00 43.55 H new ATOM 0 HB3 LYS A 31 -8.953 27.143 -29.269 1.00 43.55 H new ATOM 0 HG2 LYS A 31 -7.392 26.386 -27.587 1.00 10.01 H new ATOM 0 HG3 LYS A 31 -7.239 27.998 -26.915 1.00 10.01 H new ATOM 0 HD2 LYS A 31 -8.795 27.215 -25.432 1.00 14.23 H new ATOM 0 HD3 LYS A 31 -9.916 27.722 -26.680 1.00 14.23 H new ATOM 0 HE2 LYS A 31 -10.549 25.594 -27.128 1.00 4.21 H new ATOM 0 HE3 LYS A 31 -8.892 25.029 -27.204 1.00 4.21 H new ATOM 0 HZ1 LYS A 31 -10.099 23.967 -25.410 1.00 33.11 H new ATOM 0 HZ2 LYS A 31 -8.845 24.924 -24.779 1.00 33.11 H new ATOM 0 HZ3 LYS A 31 -10.451 25.471 -24.706 1.00 33.11 H new ATOM 437 N ILE A 32 -5.352 29.849 -29.115 1.00 24.25 N ATOM 438 CA ILE A 32 -4.648 30.994 -28.550 1.00 20.42 C ATOM 439 C ILE A 32 -5.208 32.305 -29.091 1.00 64.44 C ATOM 440 O ILE A 32 -5.371 33.273 -28.350 1.00 53.44 O ATOM 441 CB ILE A 32 -3.139 30.930 -28.849 1.00 45.20 C ATOM 442 CG1 ILE A 32 -2.432 32.162 -28.280 1.00 45.11 C ATOM 443 CG2 ILE A 32 -2.900 30.821 -30.348 1.00 22.45 C ATOM 444 CD1 ILE A 32 -2.573 32.301 -26.781 1.00 13.45 C ATOM 0 H ILE A 32 -4.760 29.209 -29.645 1.00 24.25 H new ATOM 0 HA ILE A 32 -4.798 30.956 -27.471 1.00 20.42 H new ATOM 0 HB ILE A 32 -2.726 30.043 -28.369 1.00 45.20 H new ATOM 0 HG12 ILE A 32 -1.373 32.113 -28.534 1.00 45.11 H new ATOM 0 HG13 ILE A 32 -2.834 33.055 -28.759 1.00 45.11 H new ATOM 0 HG21 ILE A 32 -1.829 30.777 -30.543 1.00 22.45 H new ATOM 0 HG22 ILE A 32 -3.376 29.917 -30.727 1.00 22.45 H new ATOM 0 HG23 ILE A 32 -3.324 31.691 -30.848 1.00 22.45 H new ATOM 0 HD11 ILE A 32 -2.047 33.196 -26.448 1.00 13.45 H new ATOM 0 HD12 ILE A 32 -3.628 32.382 -26.521 1.00 13.45 H new ATOM 0 HD13 ILE A 32 -2.145 31.426 -26.293 1.00 13.45 H new ATOM 456 N GLN A 33 -5.500 32.326 -30.388 1.00 14.13 N ATOM 457 CA GLN A 33 -6.043 33.518 -31.028 1.00 51.31 C ATOM 458 C GLN A 33 -7.375 33.915 -30.400 1.00 11.10 C ATOM 459 O GLN A 33 -7.526 35.001 -29.839 1.00 62.31 O ATOM 460 CB GLN A 33 -6.224 33.280 -32.528 1.00 71.41 C ATOM 461 CG GLN A 33 -5.294 34.114 -33.394 1.00 0.34 C ATOM 462 CD GLN A 33 -6.012 34.774 -34.554 1.00 52.31 C ATOM 463 OE1 GLN A 33 -6.532 35.883 -34.428 1.00 2.53 O ATOM 464 NE2 GLN A 33 -6.045 34.094 -35.694 1.00 52.21 N ATOM 0 H GLN A 33 -5.370 31.532 -31.015 1.00 14.13 H new ATOM 0 HA GLN A 33 -5.335 34.333 -30.879 1.00 51.31 H new ATOM 0 HB2 GLN A 33 -6.057 32.224 -32.742 1.00 71.41 H new ATOM 0 HB3 GLN A 33 -7.256 33.501 -32.800 1.00 71.41 H new ATOM 0 HG2 GLN A 33 -4.822 34.881 -32.780 1.00 0.34 H new ATOM 0 HG3 GLN A 33 -4.496 33.479 -33.779 1.00 0.34 H new ATOM 0 HE21 GLN A 33 -5.601 33.178 -35.754 1.00 52.21 H new ATOM 0 HE22 GLN A 33 -6.514 34.488 -36.509 1.00 52.21 H new ATOM 473 N PRO A 34 -8.366 33.016 -30.495 1.00 41.12 N ATOM 474 CA PRO A 34 -9.703 33.250 -29.942 1.00 10.22 C ATOM 475 C PRO A 34 -9.709 33.241 -28.417 1.00 51.00 C ATOM 476 O PRO A 34 -10.718 33.560 -27.789 1.00 74.31 O ATOM 477 CB PRO A 34 -10.523 32.078 -30.487 1.00 23.11 C ATOM 478 CG PRO A 34 -9.524 31.002 -30.740 1.00 5.31 C ATOM 479 CD PRO A 34 -8.257 31.702 -31.150 1.00 31.41 C ATOM 0 HA PRO A 34 -10.094 34.228 -30.222 1.00 10.22 H new ATOM 0 HB2 PRO A 34 -11.278 31.756 -29.770 1.00 23.11 H new ATOM 0 HB3 PRO A 34 -11.048 32.354 -31.402 1.00 23.11 H new ATOM 0 HG2 PRO A 34 -9.365 30.399 -29.846 1.00 5.31 H new ATOM 0 HG3 PRO A 34 -9.868 30.326 -31.523 1.00 5.31 H new ATOM 0 HD2 PRO A 34 -7.372 31.159 -30.817 1.00 31.41 H new ATOM 0 HD3 PRO A 34 -8.183 31.798 -32.233 1.00 31.41 H new ATOM 487 N ALA A 35 -8.576 32.874 -27.828 1.00 1.25 N ATOM 488 CA ALA A 35 -8.451 32.826 -26.376 1.00 44.31 C ATOM 489 C ALA A 35 -8.980 34.105 -25.737 1.00 15.32 C ATOM 490 O ALA A 35 -8.365 35.169 -25.816 1.00 20.41 O ATOM 491 CB ALA A 35 -7.000 32.597 -25.979 1.00 2.30 C ATOM 0 H ALA A 35 -7.732 32.606 -28.333 1.00 1.25 H new ATOM 0 HA ALA A 35 -9.052 31.993 -26.012 1.00 44.31 H new ATOM 0 HB1 ALA A 35 -6.921 32.563 -24.892 1.00 2.30 H new ATOM 0 HB2 ALA A 35 -6.653 31.652 -26.397 1.00 2.30 H new ATOM 0 HB3 ALA A 35 -6.385 33.411 -26.362 1.00 2.30 H new ATOM 497 N PRO A 36 -10.150 34.003 -25.088 1.00 70.11 N ATOM 498 CA PRO A 36 -10.789 35.142 -24.423 1.00 5.44 C ATOM 499 C PRO A 36 -10.026 35.589 -23.180 1.00 14.42 C ATOM 500 O PRO A 36 -9.126 34.904 -22.694 1.00 73.02 O ATOM 501 CB PRO A 36 -12.168 34.601 -24.038 1.00 41.32 C ATOM 502 CG PRO A 36 -11.980 33.127 -23.931 1.00 11.34 C ATOM 503 CD PRO A 36 -10.939 32.767 -24.954 1.00 21.32 C ATOM 0 HA PRO A 36 -10.826 36.021 -25.066 1.00 5.44 H new ATOM 0 HB2 PRO A 36 -12.511 35.026 -23.095 1.00 41.32 H new ATOM 0 HB3 PRO A 36 -12.916 34.851 -24.791 1.00 41.32 H new ATOM 0 HG2 PRO A 36 -11.656 32.847 -22.929 1.00 11.34 H new ATOM 0 HG3 PRO A 36 -12.914 32.599 -24.123 1.00 11.34 H new ATOM 0 HD2 PRO A 36 -10.323 31.931 -24.623 1.00 21.32 H new ATOM 0 HD3 PRO A 36 -11.391 32.474 -25.902 1.00 21.32 H new ATOM 511 N PRO A 37 -10.393 36.766 -22.651 1.00 15.11 N ATOM 512 CA PRO A 37 -9.757 37.330 -21.457 1.00 11.21 C ATOM 513 C PRO A 37 -10.096 36.546 -20.194 1.00 61.40 C ATOM 514 O PRO A 37 -9.397 36.643 -19.186 1.00 42.22 O ATOM 515 CB PRO A 37 -10.338 38.744 -21.380 1.00 11.31 C ATOM 516 CG PRO A 37 -11.646 38.656 -22.088 1.00 63.32 C ATOM 517 CD PRO A 37 -11.458 37.636 -23.178 1.00 13.24 C ATOM 0 HA PRO A 37 -8.669 37.304 -21.524 1.00 11.21 H new ATOM 0 HB2 PRO A 37 -10.468 39.062 -20.346 1.00 11.31 H new ATOM 0 HB3 PRO A 37 -9.678 39.469 -21.856 1.00 11.31 H new ATOM 0 HG2 PRO A 37 -12.440 38.355 -21.405 1.00 63.32 H new ATOM 0 HG3 PRO A 37 -11.931 39.623 -22.503 1.00 63.32 H new ATOM 0 HD2 PRO A 37 -12.375 37.078 -23.369 1.00 13.24 H new ATOM 0 HD3 PRO A 37 -11.167 38.103 -24.119 1.00 13.24 H new ATOM 525 N GLU A 38 -11.172 35.768 -20.257 1.00 14.03 N ATOM 526 CA GLU A 38 -11.603 34.967 -19.117 1.00 2.23 C ATOM 527 C GLU A 38 -10.880 33.624 -19.092 1.00 21.53 C ATOM 528 O GLU A 38 -10.817 32.961 -18.057 1.00 30.30 O ATOM 529 CB GLU A 38 -13.116 34.744 -19.164 1.00 62.12 C ATOM 530 CG GLU A 38 -13.911 35.801 -18.416 1.00 62.21 C ATOM 531 CD GLU A 38 -15.274 36.050 -19.032 1.00 43.43 C ATOM 532 OE1 GLU A 38 -15.340 36.764 -20.055 1.00 61.23 O ATOM 533 OE2 GLU A 38 -16.273 35.533 -18.492 1.00 15.10 O ATOM 0 H GLU A 38 -11.761 35.675 -21.085 1.00 14.03 H new ATOM 0 HA GLU A 38 -11.352 35.512 -18.207 1.00 2.23 H new ATOM 0 HB2 GLU A 38 -13.440 34.727 -20.205 1.00 62.12 H new ATOM 0 HB3 GLU A 38 -13.344 33.765 -18.743 1.00 62.12 H new ATOM 0 HG2 GLU A 38 -14.036 35.490 -17.379 1.00 62.21 H new ATOM 0 HG3 GLU A 38 -13.346 36.733 -18.403 1.00 62.21 H new ATOM 540 N GLU A 39 -10.337 33.229 -20.239 1.00 64.01 N ATOM 541 CA GLU A 39 -9.620 31.964 -20.349 1.00 4.11 C ATOM 542 C GLU A 39 -8.124 32.165 -20.120 1.00 72.34 C ATOM 543 O GLU A 39 -7.390 31.209 -19.871 1.00 25.32 O ATOM 544 CB GLU A 39 -9.857 31.336 -21.724 1.00 22.53 C ATOM 545 CG GLU A 39 -11.169 30.577 -21.828 1.00 31.11 C ATOM 546 CD GLU A 39 -11.008 29.093 -21.564 1.00 25.55 C ATOM 547 OE1 GLU A 39 -10.644 28.729 -20.425 1.00 51.51 O ATOM 548 OE2 GLU A 39 -11.244 28.294 -22.494 1.00 41.32 O ATOM 0 H GLU A 39 -10.380 33.766 -21.105 1.00 64.01 H new ATOM 0 HA GLU A 39 -10.001 31.292 -19.580 1.00 4.11 H new ATOM 0 HB2 GLU A 39 -9.840 32.121 -22.480 1.00 22.53 H new ATOM 0 HB3 GLU A 39 -9.035 30.657 -21.951 1.00 22.53 H new ATOM 0 HG2 GLU A 39 -11.882 30.993 -21.117 1.00 31.11 H new ATOM 0 HG3 GLU A 39 -11.590 30.721 -22.823 1.00 31.11 H new ATOM 555 N TYR A 40 -7.681 33.414 -20.208 1.00 61.22 N ATOM 556 CA TYR A 40 -6.273 33.741 -20.014 1.00 72.43 C ATOM 557 C TYR A 40 -5.894 33.662 -18.539 1.00 0.33 C ATOM 558 O TYR A 40 -4.827 33.160 -18.185 1.00 42.25 O ATOM 559 CB TYR A 40 -5.973 35.139 -20.556 1.00 15.42 C ATOM 560 CG TYR A 40 -5.143 35.134 -21.820 1.00 14.44 C ATOM 561 CD1 TYR A 40 -5.404 34.230 -22.842 1.00 4.31 C ATOM 562 CD2 TYR A 40 -4.099 36.035 -21.992 1.00 31.15 C ATOM 563 CE1 TYR A 40 -4.647 34.222 -23.998 1.00 31.13 C ATOM 564 CE2 TYR A 40 -3.338 36.035 -23.145 1.00 33.33 C ATOM 565 CZ TYR A 40 -3.616 35.126 -24.145 1.00 2.05 C ATOM 566 OH TYR A 40 -2.861 35.122 -25.295 1.00 61.20 O ATOM 0 H TYR A 40 -8.276 34.217 -20.412 1.00 61.22 H new ATOM 0 HA TYR A 40 -5.678 33.011 -20.563 1.00 72.43 H new ATOM 0 HB2 TYR A 40 -6.914 35.653 -20.751 1.00 15.42 H new ATOM 0 HB3 TYR A 40 -5.450 35.712 -19.790 1.00 15.42 H new ATOM 0 HD1 TYR A 40 -6.212 33.522 -22.731 1.00 4.31 H new ATOM 0 HD2 TYR A 40 -3.879 36.747 -21.211 1.00 31.15 H new ATOM 0 HE1 TYR A 40 -4.862 33.511 -24.782 1.00 31.13 H new ATOM 0 HE2 TYR A 40 -2.530 36.742 -23.263 1.00 33.33 H new ATOM 0 HH TYR A 40 -2.537 36.029 -25.476 1.00 61.20 H new ATOM 576 N VAL A 41 -6.777 34.162 -17.680 1.00 51.31 N ATOM 577 CA VAL A 41 -6.538 34.148 -16.242 1.00 3.30 C ATOM 578 C VAL A 41 -6.221 32.740 -15.751 1.00 73.03 C ATOM 579 O VAL A 41 -5.172 32.483 -15.160 1.00 34.20 O ATOM 580 CB VAL A 41 -7.753 34.690 -15.465 1.00 64.24 C ATOM 581 CG1 VAL A 41 -7.853 34.026 -14.100 1.00 51.24 C ATOM 582 CG2 VAL A 41 -7.665 36.202 -15.327 1.00 1.20 C ATOM 0 H VAL A 41 -7.665 34.582 -17.956 1.00 51.31 H new ATOM 0 HA VAL A 41 -5.681 34.795 -16.058 1.00 3.30 H new ATOM 0 HB VAL A 41 -8.657 34.452 -16.025 1.00 64.24 H new ATOM 0 HG11 VAL A 41 -8.717 34.421 -13.566 1.00 51.24 H new ATOM 0 HG12 VAL A 41 -7.966 32.949 -14.227 1.00 51.24 H new ATOM 0 HG13 VAL A 41 -6.948 34.231 -13.528 1.00 51.24 H new ATOM 0 HG21 VAL A 41 -8.531 36.568 -14.776 1.00 1.20 H new ATOM 0 HG22 VAL A 41 -6.754 36.466 -14.789 1.00 1.20 H new ATOM 0 HG23 VAL A 41 -7.646 36.657 -16.317 1.00 1.20 H new ATOM 592 N PRO A 42 -7.149 31.804 -16.002 1.00 23.14 N ATOM 593 CA PRO A 42 -6.991 30.404 -15.595 1.00 0.54 C ATOM 594 C PRO A 42 -5.909 29.687 -16.394 1.00 73.45 C ATOM 595 O PRO A 42 -5.258 28.771 -15.893 1.00 2.25 O ATOM 596 CB PRO A 42 -8.364 29.794 -15.884 1.00 74.23 C ATOM 597 CG PRO A 42 -8.942 30.651 -16.957 1.00 44.40 C ATOM 598 CD PRO A 42 -8.423 32.039 -16.702 1.00 4.53 C ATOM 0 HA PRO A 42 -6.681 30.314 -14.554 1.00 0.54 H new ATOM 0 HB2 PRO A 42 -8.276 28.758 -16.210 1.00 74.23 H new ATOM 0 HB3 PRO A 42 -8.993 29.796 -14.994 1.00 74.23 H new ATOM 0 HG2 PRO A 42 -8.642 30.297 -17.943 1.00 44.40 H new ATOM 0 HG3 PRO A 42 -10.031 30.630 -16.929 1.00 44.40 H new ATOM 0 HD2 PRO A 42 -8.275 32.590 -17.631 1.00 4.53 H new ATOM 0 HD3 PRO A 42 -9.115 32.621 -16.093 1.00 4.53 H new ATOM 606 N MET A 43 -5.724 30.108 -17.641 1.00 45.30 N ATOM 607 CA MET A 43 -4.719 29.506 -18.509 1.00 62.35 C ATOM 608 C MET A 43 -3.357 29.471 -17.823 1.00 50.40 C ATOM 609 O MET A 43 -2.610 28.502 -17.952 1.00 62.54 O ATOM 610 CB MET A 43 -4.620 30.280 -19.825 1.00 54.21 C ATOM 611 CG MET A 43 -5.279 29.572 -20.998 1.00 22.00 C ATOM 612 SD MET A 43 -5.243 30.553 -22.511 1.00 30.35 S ATOM 613 CE MET A 43 -6.802 30.083 -23.256 1.00 34.42 C ATOM 0 H MET A 43 -6.257 30.863 -18.073 1.00 45.30 H new ATOM 0 HA MET A 43 -5.026 28.482 -18.720 1.00 62.35 H new ATOM 0 HB2 MET A 43 -5.081 31.259 -19.697 1.00 54.21 H new ATOM 0 HB3 MET A 43 -3.569 30.451 -20.058 1.00 54.21 H new ATOM 0 HG2 MET A 43 -4.775 28.622 -21.174 1.00 22.00 H new ATOM 0 HG3 MET A 43 -6.314 29.342 -20.744 1.00 22.00 H new ATOM 0 HE1 MET A 43 -6.622 29.677 -24.252 1.00 34.42 H new ATOM 0 HE2 MET A 43 -7.287 29.327 -22.639 1.00 34.42 H new ATOM 0 HE3 MET A 43 -7.447 30.958 -23.332 1.00 34.42 H new ATOM 623 N VAL A 44 -3.040 30.536 -17.093 1.00 11.01 N ATOM 624 CA VAL A 44 -1.768 30.627 -16.386 1.00 35.05 C ATOM 625 C VAL A 44 -1.656 29.547 -15.315 1.00 75.04 C ATOM 626 O VAL A 44 -0.648 28.846 -15.228 1.00 31.12 O ATOM 627 CB VAL A 44 -1.590 32.008 -15.727 1.00 33.35 C ATOM 628 CG1 VAL A 44 -0.283 32.064 -14.951 1.00 13.55 C ATOM 629 CG2 VAL A 44 -1.646 33.109 -16.774 1.00 61.15 C ATOM 0 H VAL A 44 -3.647 31.348 -16.976 1.00 11.01 H new ATOM 0 HA VAL A 44 -0.982 30.482 -17.128 1.00 35.05 H new ATOM 0 HB VAL A 44 -2.409 32.165 -15.025 1.00 33.35 H new ATOM 0 HG11 VAL A 44 -0.174 33.047 -14.492 1.00 13.55 H new ATOM 0 HG12 VAL A 44 -0.288 31.299 -14.174 1.00 13.55 H new ATOM 0 HG13 VAL A 44 0.551 31.886 -15.630 1.00 13.55 H new ATOM 0 HG21 VAL A 44 -1.519 34.078 -16.291 1.00 61.15 H new ATOM 0 HG22 VAL A 44 -0.849 32.959 -17.502 1.00 61.15 H new ATOM 0 HG23 VAL A 44 -2.611 33.081 -17.281 1.00 61.15 H new ATOM 639 N LYS A 45 -2.699 29.417 -14.502 1.00 53.23 N ATOM 640 CA LYS A 45 -2.721 28.421 -13.438 1.00 3.24 C ATOM 641 C LYS A 45 -2.472 27.023 -13.995 1.00 42.31 C ATOM 642 O LYS A 45 -1.879 26.176 -13.328 1.00 44.51 O ATOM 643 CB LYS A 45 -4.063 28.458 -12.704 1.00 32.40 C ATOM 644 CG LYS A 45 -4.020 29.225 -11.394 1.00 23.53 C ATOM 645 CD LYS A 45 -4.825 30.511 -11.473 1.00 63.24 C ATOM 646 CE LYS A 45 -5.460 30.855 -10.135 1.00 21.32 C ATOM 647 NZ LYS A 45 -6.401 32.003 -10.246 1.00 40.42 N ATOM 0 H LYS A 45 -3.541 29.990 -14.560 1.00 53.23 H new ATOM 0 HA LYS A 45 -1.923 28.660 -12.735 1.00 3.24 H new ATOM 0 HB2 LYS A 45 -4.811 28.910 -13.355 1.00 32.40 H new ATOM 0 HB3 LYS A 45 -4.388 27.436 -12.506 1.00 32.40 H new ATOM 0 HG2 LYS A 45 -4.411 28.599 -10.592 1.00 23.53 H new ATOM 0 HG3 LYS A 45 -2.985 29.457 -11.141 1.00 23.53 H new ATOM 0 HD2 LYS A 45 -4.177 31.328 -11.790 1.00 63.24 H new ATOM 0 HD3 LYS A 45 -5.602 30.409 -12.230 1.00 63.24 H new ATOM 0 HE2 LYS A 45 -5.993 29.985 -9.752 1.00 21.32 H new ATOM 0 HE3 LYS A 45 -4.679 31.094 -9.413 1.00 21.32 H new ATOM 0 HZ1 LYS A 45 -6.813 32.206 -9.313 1.00 40.42 H new ATOM 0 HZ2 LYS A 45 -5.888 32.841 -10.588 1.00 40.42 H new ATOM 0 HZ3 LYS A 45 -7.161 31.766 -10.915 1.00 40.42 H new ATOM 661 N GLU A 46 -2.928 26.790 -15.222 1.00 11.41 N ATOM 662 CA GLU A 46 -2.753 25.495 -15.868 1.00 34.11 C ATOM 663 C GLU A 46 -1.292 25.268 -16.245 1.00 74.43 C ATOM 664 O GLU A 46 -0.662 24.314 -15.787 1.00 52.43 O ATOM 665 CB GLU A 46 -3.635 25.399 -17.115 1.00 44.11 C ATOM 666 CG GLU A 46 -5.123 25.419 -16.812 1.00 13.43 C ATOM 667 CD GLU A 46 -5.560 24.247 -15.956 1.00 33.53 C ATOM 668 OE1 GLU A 46 -5.631 23.119 -16.487 1.00 64.44 O ATOM 669 OE2 GLU A 46 -5.832 24.456 -14.755 1.00 40.11 O ATOM 0 H GLU A 46 -3.421 27.481 -15.788 1.00 11.41 H new ATOM 0 HA GLU A 46 -3.052 24.721 -15.161 1.00 34.11 H new ATOM 0 HB2 GLU A 46 -3.398 26.228 -17.782 1.00 44.11 H new ATOM 0 HB3 GLU A 46 -3.394 24.480 -17.650 1.00 44.11 H new ATOM 0 HG2 GLU A 46 -5.374 26.349 -16.303 1.00 13.43 H new ATOM 0 HG3 GLU A 46 -5.681 25.408 -17.748 1.00 13.43 H new ATOM 676 N VAL A 47 -0.760 26.150 -17.084 1.00 41.45 N ATOM 677 CA VAL A 47 0.627 26.048 -17.524 1.00 35.41 C ATOM 678 C VAL A 47 1.582 26.061 -16.336 1.00 10.40 C ATOM 679 O VAL A 47 2.570 25.329 -16.312 1.00 43.22 O ATOM 680 CB VAL A 47 0.998 27.195 -18.481 1.00 45.42 C ATOM 681 CG1 VAL A 47 0.707 28.543 -17.838 1.00 62.23 C ATOM 682 CG2 VAL A 47 2.460 27.095 -18.890 1.00 3.22 C ATOM 0 H VAL A 47 -1.268 26.944 -17.473 1.00 41.45 H new ATOM 0 HA VAL A 47 0.723 25.100 -18.053 1.00 35.41 H new ATOM 0 HB VAL A 47 0.386 27.108 -19.379 1.00 45.42 H new ATOM 0 HG11 VAL A 47 0.976 29.342 -18.530 1.00 62.23 H new ATOM 0 HG12 VAL A 47 -0.355 28.611 -17.600 1.00 62.23 H new ATOM 0 HG13 VAL A 47 1.291 28.643 -16.923 1.00 62.23 H new ATOM 0 HG21 VAL A 47 2.705 27.914 -19.567 1.00 3.22 H new ATOM 0 HG22 VAL A 47 3.091 27.156 -18.003 1.00 3.22 H new ATOM 0 HG23 VAL A 47 2.633 26.144 -19.394 1.00 3.22 H new ATOM 692 N GLY A 48 1.279 26.900 -15.350 1.00 5.43 N ATOM 693 CA GLY A 48 2.121 26.994 -14.171 1.00 40.01 C ATOM 694 C GLY A 48 2.180 25.693 -13.396 1.00 62.42 C ATOM 695 O GLY A 48 3.211 25.356 -12.811 1.00 73.24 O ATOM 0 H GLY A 48 0.466 27.516 -15.346 1.00 5.43 H new ATOM 0 HA2 GLY A 48 3.129 27.281 -14.470 1.00 40.01 H new ATOM 0 HA3 GLY A 48 1.744 27.784 -13.521 1.00 40.01 H new ATOM 699 N LEU A 49 1.073 24.959 -13.389 1.00 54.33 N ATOM 700 CA LEU A 49 1.002 23.687 -12.678 1.00 54.34 C ATOM 701 C LEU A 49 1.893 22.642 -13.341 1.00 44.45 C ATOM 702 O LEU A 49 2.527 21.833 -12.665 1.00 10.33 O ATOM 703 CB LEU A 49 -0.443 23.186 -12.632 1.00 41.33 C ATOM 704 CG LEU A 49 -0.743 22.098 -11.601 1.00 13.21 C ATOM 705 CD1 LEU A 49 -0.993 22.714 -10.233 1.00 31.32 C ATOM 706 CD2 LEU A 49 -1.938 21.264 -12.039 1.00 33.25 C ATOM 0 H LEU A 49 0.212 25.223 -13.868 1.00 54.33 H new ATOM 0 HA LEU A 49 1.357 23.848 -11.660 1.00 54.34 H new ATOM 0 HB2 LEU A 49 -1.095 24.036 -12.434 1.00 41.33 H new ATOM 0 HB3 LEU A 49 -0.706 22.806 -13.619 1.00 41.33 H new ATOM 0 HG LEU A 49 0.125 21.443 -11.529 1.00 13.21 H new ATOM 0 HD11 LEU A 49 -1.205 21.925 -9.512 1.00 31.32 H new ATOM 0 HD12 LEU A 49 -0.109 23.267 -9.916 1.00 31.32 H new ATOM 0 HD13 LEU A 49 -1.845 23.392 -10.289 1.00 31.32 H new ATOM 0 HD21 LEU A 49 -2.137 20.494 -11.293 1.00 33.25 H new ATOM 0 HD22 LEU A 49 -2.813 21.907 -12.140 1.00 33.25 H new ATOM 0 HD23 LEU A 49 -1.721 20.793 -12.998 1.00 33.25 H new ATOM 718 N ALA A 50 1.939 22.668 -14.669 1.00 72.35 N ATOM 719 CA ALA A 50 2.756 21.726 -15.424 1.00 22.41 C ATOM 720 C ALA A 50 4.226 21.840 -15.035 1.00 21.25 C ATOM 721 O ALA A 50 4.871 20.843 -14.707 1.00 4.24 O ATOM 722 CB ALA A 50 2.584 21.957 -16.918 1.00 24.51 C ATOM 0 H ALA A 50 1.420 23.331 -15.244 1.00 72.35 H new ATOM 0 HA ALA A 50 2.420 20.717 -15.183 1.00 22.41 H new ATOM 0 HB1 ALA A 50 3.200 21.247 -17.469 1.00 24.51 H new ATOM 0 HB2 ALA A 50 1.538 21.817 -17.190 1.00 24.51 H new ATOM 0 HB3 ALA A 50 2.891 22.973 -17.167 1.00 24.51 H new ATOM 728 N LEU A 51 4.750 23.060 -15.073 1.00 64.23 N ATOM 729 CA LEU A 51 6.146 23.304 -14.725 1.00 12.31 C ATOM 730 C LEU A 51 6.418 22.928 -13.272 1.00 1.40 C ATOM 731 O LEU A 51 7.322 22.144 -12.982 1.00 74.24 O ATOM 732 CB LEU A 51 6.500 24.774 -14.958 1.00 63.15 C ATOM 733 CG LEU A 51 6.544 25.230 -16.417 1.00 55.32 C ATOM 734 CD1 LEU A 51 5.563 26.369 -16.650 1.00 13.15 C ATOM 735 CD2 LEU A 51 7.954 25.652 -16.803 1.00 20.34 C ATOM 0 H LEU A 51 4.230 23.895 -15.341 1.00 64.23 H new ATOM 0 HA LEU A 51 6.770 22.680 -15.365 1.00 12.31 H new ATOM 0 HB2 LEU A 51 5.774 25.390 -14.427 1.00 63.15 H new ATOM 0 HB3 LEU A 51 7.473 24.968 -14.508 1.00 63.15 H new ATOM 0 HG LEU A 51 6.252 24.391 -17.048 1.00 55.32 H new ATOM 0 HD11 LEU A 51 5.608 26.680 -17.694 1.00 13.15 H new ATOM 0 HD12 LEU A 51 4.553 26.033 -16.415 1.00 13.15 H new ATOM 0 HD13 LEU A 51 5.824 27.211 -16.009 1.00 13.15 H new ATOM 0 HD21 LEU A 51 7.965 25.973 -17.845 1.00 20.34 H new ATOM 0 HD22 LEU A 51 8.274 26.476 -16.166 1.00 20.34 H new ATOM 0 HD23 LEU A 51 8.634 24.809 -16.676 1.00 20.34 H new ATOM 747 N ARG A 52 5.630 23.492 -12.363 1.00 35.34 N ATOM 748 CA ARG A 52 5.785 23.215 -10.940 1.00 21.23 C ATOM 749 C ARG A 52 5.710 21.716 -10.666 1.00 62.52 C ATOM 750 O ARG A 52 6.454 21.186 -9.840 1.00 20.41 O ATOM 751 CB ARG A 52 4.708 23.945 -10.136 1.00 11.14 C ATOM 752 CG ARG A 52 5.011 25.417 -9.908 1.00 20.04 C ATOM 753 CD ARG A 52 4.421 25.911 -8.596 1.00 32.41 C ATOM 754 NE ARG A 52 3.663 27.147 -8.768 1.00 12.13 N ATOM 755 CZ ARG A 52 2.775 27.594 -7.886 1.00 23.50 C ATOM 756 NH1 ARG A 52 2.536 26.909 -6.776 1.00 60.53 N ATOM 757 NH2 ARG A 52 2.125 28.728 -8.113 1.00 63.22 N ATOM 0 H ARG A 52 4.878 24.144 -12.586 1.00 35.34 H new ATOM 0 HA ARG A 52 6.766 23.575 -10.631 1.00 21.23 H new ATOM 0 HB2 ARG A 52 3.755 23.855 -10.657 1.00 11.14 H new ATOM 0 HB3 ARG A 52 4.591 23.453 -9.170 1.00 11.14 H new ATOM 0 HG2 ARG A 52 6.090 25.571 -9.904 1.00 20.04 H new ATOM 0 HG3 ARG A 52 4.608 26.004 -10.733 1.00 20.04 H new ATOM 0 HD2 ARG A 52 3.771 25.142 -8.179 1.00 32.41 H new ATOM 0 HD3 ARG A 52 5.223 26.075 -7.877 1.00 32.41 H new ATOM 0 HE ARG A 52 3.824 27.698 -9.611 1.00 12.13 H new ATOM 0 HH11 ARG A 52 3.034 26.037 -6.598 1.00 60.53 H new ATOM 0 HH12 ARG A 52 1.854 27.254 -6.101 1.00 60.53 H new ATOM 0 HH21 ARG A 52 2.306 29.258 -8.965 1.00 63.22 H new ATOM 0 HH22 ARG A 52 1.444 29.070 -7.435 1.00 63.22 H new ATOM 771 N THR A 53 4.806 21.036 -11.365 1.00 65.14 N ATOM 772 CA THR A 53 4.633 19.599 -11.197 1.00 72.33 C ATOM 773 C THR A 53 5.804 18.829 -11.797 1.00 41.42 C ATOM 774 O THR A 53 6.261 17.835 -11.233 1.00 24.24 O ATOM 775 CB THR A 53 3.325 19.111 -11.849 1.00 22.20 C ATOM 776 OG1 THR A 53 2.200 19.719 -11.205 1.00 21.55 O ATOM 777 CG2 THR A 53 3.209 17.596 -11.762 1.00 2.55 C ATOM 0 H THR A 53 4.182 21.458 -12.053 1.00 65.14 H new ATOM 0 HA THR A 53 4.589 19.410 -10.124 1.00 72.33 H new ATOM 0 HB THR A 53 3.340 19.398 -12.900 1.00 22.20 H new ATOM 0 HG1 THR A 53 2.085 20.633 -11.541 1.00 21.55 H new ATOM 0 HG21 THR A 53 2.278 17.275 -12.229 1.00 2.55 H new ATOM 0 HG22 THR A 53 4.051 17.136 -12.279 1.00 2.55 H new ATOM 0 HG23 THR A 53 3.215 17.290 -10.716 1.00 2.55 H new ATOM 785 N LEU A 54 6.287 19.295 -12.944 1.00 14.42 N ATOM 786 CA LEU A 54 7.407 18.651 -13.621 1.00 12.13 C ATOM 787 C LEU A 54 8.586 18.471 -12.671 1.00 24.34 C ATOM 788 O LEU A 54 9.292 17.463 -12.724 1.00 62.34 O ATOM 789 CB LEU A 54 7.837 19.476 -14.835 1.00 71.32 C ATOM 790 CG LEU A 54 8.218 18.681 -16.085 1.00 51.30 C ATOM 791 CD1 LEU A 54 6.988 18.033 -16.701 1.00 52.42 C ATOM 792 CD2 LEU A 54 8.913 19.580 -17.097 1.00 51.41 C ATOM 0 H LEU A 54 5.920 20.117 -13.424 1.00 14.42 H new ATOM 0 HA LEU A 54 7.080 17.667 -13.956 1.00 12.13 H new ATOM 0 HB2 LEU A 54 7.025 20.155 -15.094 1.00 71.32 H new ATOM 0 HB3 LEU A 54 8.688 20.093 -14.547 1.00 71.32 H new ATOM 0 HG LEU A 54 8.911 17.892 -15.793 1.00 51.30 H new ATOM 0 HD11 LEU A 54 7.279 17.472 -17.589 1.00 52.42 H new ATOM 0 HD12 LEU A 54 6.532 17.357 -15.978 1.00 52.42 H new ATOM 0 HD13 LEU A 54 6.270 18.805 -16.978 1.00 52.42 H new ATOM 0 HD21 LEU A 54 9.177 18.998 -17.980 1.00 51.41 H new ATOM 0 HD22 LEU A 54 8.243 20.391 -17.384 1.00 51.41 H new ATOM 0 HD23 LEU A 54 9.817 19.996 -16.653 1.00 51.41 H new ATOM 804 N LEU A 55 8.793 19.452 -11.800 1.00 44.40 N ATOM 805 CA LEU A 55 9.886 19.402 -10.835 1.00 64.42 C ATOM 806 C LEU A 55 9.724 18.215 -9.890 1.00 50.24 C ATOM 807 O LEU A 55 10.679 17.488 -9.622 1.00 25.33 O ATOM 808 CB LEU A 55 9.946 20.703 -10.033 1.00 33.31 C ATOM 809 CG LEU A 55 11.203 21.552 -10.223 1.00 22.41 C ATOM 810 CD1 LEU A 55 11.088 22.403 -11.478 1.00 11.03 C ATOM 811 CD2 LEU A 55 11.445 22.427 -9.002 1.00 52.52 C ATOM 0 H LEU A 55 8.218 20.292 -11.742 1.00 44.40 H new ATOM 0 HA LEU A 55 10.819 19.280 -11.386 1.00 64.42 H new ATOM 0 HB2 LEU A 55 9.079 21.309 -10.297 1.00 33.31 H new ATOM 0 HB3 LEU A 55 9.854 20.458 -8.975 1.00 33.31 H new ATOM 0 HG LEU A 55 12.056 20.883 -10.340 1.00 22.41 H new ATOM 0 HD11 LEU A 55 11.992 23.000 -11.597 1.00 11.03 H new ATOM 0 HD12 LEU A 55 10.964 21.756 -12.346 1.00 11.03 H new ATOM 0 HD13 LEU A 55 10.225 23.064 -11.392 1.00 11.03 H new ATOM 0 HD21 LEU A 55 12.344 23.024 -9.155 1.00 52.52 H new ATOM 0 HD22 LEU A 55 10.591 23.088 -8.853 1.00 52.52 H new ATOM 0 HD23 LEU A 55 11.574 21.796 -8.122 1.00 52.52 H new ATOM 823 N ALA A 56 8.507 18.025 -9.391 1.00 41.31 N ATOM 824 CA ALA A 56 8.218 16.925 -8.480 1.00 24.21 C ATOM 825 C ALA A 56 8.219 15.589 -9.215 1.00 61.21 C ATOM 826 O ALA A 56 8.816 14.615 -8.755 1.00 21.20 O ATOM 827 CB ALA A 56 6.881 17.149 -7.789 1.00 24.50 C ATOM 0 H ALA A 56 7.705 18.619 -9.603 1.00 41.31 H new ATOM 0 HA ALA A 56 9.004 16.895 -7.725 1.00 24.21 H new ATOM 0 HB1 ALA A 56 6.678 16.320 -7.112 1.00 24.50 H new ATOM 0 HB2 ALA A 56 6.915 18.080 -7.223 1.00 24.50 H new ATOM 0 HB3 ALA A 56 6.090 17.208 -8.537 1.00 24.50 H new ATOM 833 N THR A 57 7.546 15.548 -10.361 1.00 14.44 N ATOM 834 CA THR A 57 7.467 14.331 -11.159 1.00 11.44 C ATOM 835 C THR A 57 8.854 13.762 -11.431 1.00 25.24 C ATOM 836 O THR A 57 9.128 12.598 -11.135 1.00 52.32 O ATOM 837 CB THR A 57 6.756 14.585 -12.501 1.00 42.04 C ATOM 838 OG1 THR A 57 7.501 15.529 -13.279 1.00 61.54 O ATOM 839 CG2 THR A 57 5.345 15.107 -12.277 1.00 1.14 C ATOM 0 H THR A 57 7.047 16.345 -10.757 1.00 14.44 H new ATOM 0 HA THR A 57 6.889 13.610 -10.581 1.00 11.44 H new ATOM 0 HB THR A 57 6.695 13.639 -13.039 1.00 42.04 H new ATOM 0 HG1 THR A 57 7.244 15.451 -14.222 1.00 61.54 H new ATOM 0 HG21 THR A 57 4.863 15.279 -13.240 1.00 1.14 H new ATOM 0 HG22 THR A 57 4.771 14.374 -11.710 1.00 1.14 H new ATOM 0 HG23 THR A 57 5.387 16.043 -11.720 1.00 1.14 H new ATOM 847 N VAL A 58 9.729 14.589 -11.995 1.00 54.01 N ATOM 848 CA VAL A 58 11.089 14.168 -12.305 1.00 65.24 C ATOM 849 C VAL A 58 11.872 13.858 -11.034 1.00 61.34 C ATOM 850 O VAL A 58 12.741 12.985 -11.025 1.00 53.22 O ATOM 851 CB VAL A 58 11.842 15.246 -13.108 1.00 55.00 C ATOM 852 CG1 VAL A 58 13.272 14.808 -13.381 1.00 4.03 C ATOM 853 CG2 VAL A 58 11.111 15.549 -14.408 1.00 20.44 C ATOM 0 H VAL A 58 9.519 15.555 -12.246 1.00 54.01 H new ATOM 0 HA VAL A 58 11.010 13.264 -12.909 1.00 65.24 H new ATOM 0 HB VAL A 58 11.875 16.160 -12.514 1.00 55.00 H new ATOM 0 HG11 VAL A 58 13.788 15.582 -13.949 1.00 4.03 H new ATOM 0 HG12 VAL A 58 13.790 14.646 -12.436 1.00 4.03 H new ATOM 0 HG13 VAL A 58 13.265 13.881 -13.954 1.00 4.03 H new ATOM 0 HG21 VAL A 58 11.656 16.312 -14.963 1.00 20.44 H new ATOM 0 HG22 VAL A 58 11.045 14.642 -15.008 1.00 20.44 H new ATOM 0 HG23 VAL A 58 10.107 15.910 -14.185 1.00 20.44 H new ATOM 863 N ASP A 59 11.558 14.577 -9.963 1.00 3.32 N ATOM 864 CA ASP A 59 12.231 14.378 -8.684 1.00 40.33 C ATOM 865 C ASP A 59 12.213 12.906 -8.284 1.00 43.23 C ATOM 866 O ASP A 59 13.231 12.355 -7.868 1.00 23.33 O ATOM 867 CB ASP A 59 11.566 15.223 -7.597 1.00 13.23 C ATOM 868 CG ASP A 59 12.503 16.265 -7.018 1.00 61.05 C ATOM 869 OD1 ASP A 59 13.225 16.914 -7.804 1.00 12.23 O ATOM 870 OD2 ASP A 59 12.516 16.431 -5.780 1.00 74.55 O ATOM 0 H ASP A 59 10.842 15.303 -9.954 1.00 3.32 H new ATOM 0 HA ASP A 59 13.269 14.693 -8.794 1.00 40.33 H new ATOM 0 HB2 ASP A 59 10.689 15.719 -8.012 1.00 13.23 H new ATOM 0 HB3 ASP A 59 11.215 14.570 -6.798 1.00 13.23 H new ATOM 875 N GLU A 60 11.049 12.277 -8.413 1.00 44.12 N ATOM 876 CA GLU A 60 10.900 10.869 -8.063 1.00 52.50 C ATOM 877 C GLU A 60 11.401 9.972 -9.191 1.00 23.03 C ATOM 878 O GLU A 60 11.603 8.773 -9.001 1.00 31.42 O ATOM 879 CB GLU A 60 9.435 10.550 -7.755 1.00 42.45 C ATOM 880 CG GLU A 60 8.486 10.890 -8.893 1.00 5.44 C ATOM 881 CD GLU A 60 7.069 10.418 -8.631 1.00 45.01 C ATOM 882 OE1 GLU A 60 6.704 10.262 -7.447 1.00 44.13 O ATOM 883 OE2 GLU A 60 6.326 10.205 -9.611 1.00 74.54 O ATOM 0 H GLU A 60 10.197 12.719 -8.757 1.00 44.12 H new ATOM 0 HA GLU A 60 11.501 10.676 -7.175 1.00 52.50 H new ATOM 0 HB2 GLU A 60 9.344 9.489 -7.522 1.00 42.45 H new ATOM 0 HB3 GLU A 60 9.132 11.099 -6.864 1.00 42.45 H new ATOM 0 HG2 GLU A 60 8.483 11.969 -9.049 1.00 5.44 H new ATOM 0 HG3 GLU A 60 8.852 10.436 -9.814 1.00 5.44 H new ATOM 890 N SER A 61 11.600 10.562 -10.365 1.00 0.21 N ATOM 891 CA SER A 61 12.074 9.816 -11.525 1.00 14.30 C ATOM 892 C SER A 61 13.553 9.473 -11.383 1.00 44.10 C ATOM 893 O SER A 61 14.041 8.515 -11.985 1.00 1.25 O ATOM 894 CB SER A 61 11.846 10.624 -12.804 1.00 61.45 C ATOM 895 OG SER A 61 11.923 9.794 -13.951 1.00 41.41 O ATOM 0 H SER A 61 11.440 11.554 -10.538 1.00 0.21 H new ATOM 0 HA SER A 61 11.508 8.886 -11.585 1.00 14.30 H new ATOM 0 HB2 SER A 61 10.869 11.106 -12.765 1.00 61.45 H new ATOM 0 HB3 SER A 61 12.590 11.417 -12.874 1.00 61.45 H new ATOM 0 HG SER A 61 11.772 10.333 -14.756 1.00 41.41 H new ATOM 901 N LEU A 62 14.263 10.262 -10.584 1.00 31.24 N ATOM 902 CA LEU A 62 15.688 10.043 -10.361 1.00 71.11 C ATOM 903 C LEU A 62 15.962 8.593 -9.973 1.00 42.44 C ATOM 904 O LEU A 62 16.687 7.869 -10.656 1.00 1.02 O ATOM 905 CB LEU A 62 16.204 10.981 -9.269 1.00 13.42 C ATOM 906 CG LEU A 62 16.982 12.207 -9.749 1.00 60.21 C ATOM 907 CD1 LEU A 62 18.328 11.793 -10.324 1.00 32.22 C ATOM 908 CD2 LEU A 62 16.175 12.981 -10.781 1.00 74.41 C ATOM 0 H LEU A 62 13.875 11.059 -10.080 1.00 31.24 H new ATOM 0 HA LEU A 62 16.213 10.256 -11.292 1.00 71.11 H new ATOM 0 HB2 LEU A 62 15.353 11.323 -8.680 1.00 13.42 H new ATOM 0 HB3 LEU A 62 16.845 10.408 -8.599 1.00 13.42 H new ATOM 0 HG LEU A 62 17.160 12.858 -8.893 1.00 60.21 H new ATOM 0 HD11 LEU A 62 18.868 12.678 -10.661 1.00 32.22 H new ATOM 0 HD12 LEU A 62 18.910 11.283 -9.557 1.00 32.22 H new ATOM 0 HD13 LEU A 62 18.172 11.121 -11.168 1.00 32.22 H new ATOM 0 HD21 LEU A 62 16.744 13.850 -11.111 1.00 74.41 H new ATOM 0 HD22 LEU A 62 15.966 12.338 -11.636 1.00 74.41 H new ATOM 0 HD23 LEU A 62 15.236 13.310 -10.336 1.00 74.41 H new ATOM 920 N PRO A 63 15.368 8.158 -8.852 1.00 62.14 N ATOM 921 CA PRO A 63 15.531 6.790 -8.350 1.00 44.50 C ATOM 922 C PRO A 63 14.837 5.761 -9.235 1.00 11.01 C ATOM 923 O PRO A 63 15.374 4.683 -9.490 1.00 3.20 O ATOM 924 CB PRO A 63 14.874 6.839 -6.969 1.00 15.22 C ATOM 925 CG PRO A 63 13.887 7.952 -7.058 1.00 3.20 C ATOM 926 CD PRO A 63 14.491 8.967 -7.989 1.00 70.34 C ATOM 0 HA PRO A 63 16.577 6.485 -8.329 1.00 44.50 H new ATOM 0 HB2 PRO A 63 14.385 5.895 -6.729 1.00 15.22 H new ATOM 0 HB3 PRO A 63 15.610 7.024 -6.187 1.00 15.22 H new ATOM 0 HG2 PRO A 63 12.930 7.595 -7.438 1.00 3.20 H new ATOM 0 HG3 PRO A 63 13.699 8.386 -6.076 1.00 3.20 H new ATOM 0 HD2 PRO A 63 13.727 9.487 -8.567 1.00 70.34 H new ATOM 0 HD3 PRO A 63 15.052 9.727 -7.446 1.00 70.34 H new ATOM 934 N VAL A 64 13.639 6.100 -9.701 1.00 41.13 N ATOM 935 CA VAL A 64 12.872 5.206 -10.559 1.00 75.54 C ATOM 936 C VAL A 64 13.690 4.768 -11.769 1.00 30.42 C ATOM 937 O VAL A 64 13.456 3.700 -12.337 1.00 40.21 O ATOM 938 CB VAL A 64 11.572 5.874 -11.047 1.00 63.42 C ATOM 939 CG1 VAL A 64 10.842 4.969 -12.028 1.00 44.04 C ATOM 940 CG2 VAL A 64 10.679 6.225 -9.867 1.00 72.12 C ATOM 0 H VAL A 64 13.179 6.988 -9.498 1.00 41.13 H new ATOM 0 HA VAL A 64 12.620 4.332 -9.959 1.00 75.54 H new ATOM 0 HB VAL A 64 11.831 6.797 -11.565 1.00 63.42 H new ATOM 0 HG11 VAL A 64 9.927 5.458 -12.362 1.00 44.04 H new ATOM 0 HG12 VAL A 64 11.483 4.773 -12.888 1.00 44.04 H new ATOM 0 HG13 VAL A 64 10.593 4.027 -11.538 1.00 44.04 H new ATOM 0 HG21 VAL A 64 9.765 6.696 -10.230 1.00 72.12 H new ATOM 0 HG22 VAL A 64 10.427 5.317 -9.319 1.00 72.12 H new ATOM 0 HG23 VAL A 64 11.204 6.914 -9.205 1.00 72.12 H new ATOM 950 N LEU A 65 14.651 5.598 -12.158 1.00 1.14 N ATOM 951 CA LEU A 65 15.506 5.297 -13.300 1.00 64.14 C ATOM 952 C LEU A 65 16.951 5.086 -12.859 1.00 1.13 C ATOM 953 O LEU A 65 17.381 5.563 -11.808 1.00 73.10 O ATOM 954 CB LEU A 65 15.435 6.428 -14.328 1.00 21.21 C ATOM 955 CG LEU A 65 14.283 6.352 -15.330 1.00 50.14 C ATOM 956 CD1 LEU A 65 14.719 5.622 -16.591 1.00 23.31 C ATOM 957 CD2 LEU A 65 13.076 5.667 -14.705 1.00 44.15 C ATOM 0 H LEU A 65 14.858 6.485 -11.699 1.00 1.14 H new ATOM 0 HA LEU A 65 15.147 4.375 -13.757 1.00 64.14 H new ATOM 0 HB2 LEU A 65 15.363 7.375 -13.793 1.00 21.21 H new ATOM 0 HB3 LEU A 65 16.373 6.447 -14.883 1.00 21.21 H new ATOM 0 HG LEU A 65 13.998 7.368 -15.603 1.00 50.14 H new ATOM 0 HD11 LEU A 65 13.886 5.578 -17.292 1.00 23.31 H new ATOM 0 HD12 LEU A 65 15.552 6.155 -17.050 1.00 23.31 H new ATOM 0 HD13 LEU A 65 15.032 4.610 -16.336 1.00 23.31 H new ATOM 0 HD21 LEU A 65 12.266 5.622 -15.433 1.00 44.15 H new ATOM 0 HD22 LEU A 65 13.348 4.656 -14.402 1.00 44.15 H new ATOM 0 HD23 LEU A 65 12.749 6.232 -13.832 1.00 44.15 H new ATOM 969 N PRO A 66 17.721 4.357 -13.680 1.00 32.51 N ATOM 970 CA PRO A 66 19.130 4.068 -13.396 1.00 51.42 C ATOM 971 C PRO A 66 20.010 5.308 -13.513 1.00 40.13 C ATOM 972 O PRO A 66 19.913 6.061 -14.482 1.00 34.30 O ATOM 973 CB PRO A 66 19.505 3.043 -14.469 1.00 21.11 C ATOM 974 CG PRO A 66 18.557 3.302 -15.589 1.00 23.03 C ATOM 975 CD PRO A 66 17.275 3.757 -14.949 1.00 11.11 C ATOM 0 HA PRO A 66 19.276 3.711 -12.377 1.00 51.42 H new ATOM 0 HB2 PRO A 66 20.539 3.166 -14.790 1.00 21.11 H new ATOM 0 HB3 PRO A 66 19.406 2.024 -14.095 1.00 21.11 H new ATOM 0 HG2 PRO A 66 18.948 4.064 -16.263 1.00 23.03 H new ATOM 0 HG3 PRO A 66 18.399 2.402 -16.183 1.00 23.03 H new ATOM 0 HD2 PRO A 66 16.749 4.480 -15.572 1.00 11.11 H new ATOM 0 HD3 PRO A 66 16.592 2.924 -14.782 1.00 11.11 H new ATOM 983 N ALA A 67 20.869 5.514 -12.521 1.00 22.05 N ATOM 984 CA ALA A 67 21.768 6.661 -12.514 1.00 44.20 C ATOM 985 C ALA A 67 22.629 6.691 -13.772 1.00 65.12 C ATOM 986 O ALA A 67 23.476 5.821 -13.977 1.00 50.12 O ATOM 987 CB ALA A 67 22.646 6.637 -11.272 1.00 24.43 C ATOM 0 H ALA A 67 20.961 4.901 -11.711 1.00 22.05 H new ATOM 0 HA ALA A 67 21.161 7.566 -12.499 1.00 44.20 H new ATOM 0 HB1 ALA A 67 23.312 7.500 -11.281 1.00 24.43 H new ATOM 0 HB2 ALA A 67 22.018 6.672 -10.382 1.00 24.43 H new ATOM 0 HB3 ALA A 67 23.238 5.722 -11.262 1.00 24.43 H new ATOM 993 N SER A 68 22.407 7.697 -14.612 1.00 62.22 N ATOM 994 CA SER A 68 23.160 7.837 -15.853 1.00 61.01 C ATOM 995 C SER A 68 22.620 8.994 -16.689 1.00 31.44 C ATOM 996 O SER A 68 23.366 9.656 -17.410 1.00 41.23 O ATOM 997 CB SER A 68 23.100 6.539 -16.660 1.00 65.40 C ATOM 998 OG SER A 68 24.389 5.964 -16.798 1.00 54.20 O ATOM 0 H SER A 68 21.712 8.427 -14.456 1.00 62.22 H new ATOM 0 HA SER A 68 24.198 8.050 -15.597 1.00 61.01 H new ATOM 0 HB2 SER A 68 22.433 5.831 -16.167 1.00 65.40 H new ATOM 0 HB3 SER A 68 22.680 6.739 -17.646 1.00 65.40 H new ATOM 0 HG SER A 68 24.700 5.644 -15.925 1.00 54.20 H new ATOM 1004 N THR A 69 21.316 9.231 -16.586 1.00 12.22 N ATOM 1005 CA THR A 69 20.674 10.306 -17.332 1.00 13.03 C ATOM 1006 C THR A 69 20.195 11.413 -16.399 1.00 63.11 C ATOM 1007 O THR A 69 19.209 12.094 -16.682 1.00 43.23 O ATOM 1008 CB THR A 69 19.476 9.785 -18.149 1.00 1.44 C ATOM 1009 OG1 THR A 69 18.920 10.846 -18.933 1.00 13.40 O ATOM 1010 CG2 THR A 69 18.406 9.210 -17.233 1.00 60.33 C ATOM 0 H THR A 69 20.684 8.693 -15.993 1.00 12.22 H new ATOM 0 HA THR A 69 21.423 10.708 -18.014 1.00 13.03 H new ATOM 0 HB THR A 69 19.831 8.993 -18.809 1.00 1.44 H new ATOM 0 HG1 THR A 69 18.822 11.647 -18.377 1.00 13.40 H new ATOM 0 HG21 THR A 69 17.570 8.848 -17.832 1.00 60.33 H new ATOM 0 HG22 THR A 69 18.825 8.384 -16.658 1.00 60.33 H new ATOM 0 HG23 THR A 69 18.055 9.985 -16.552 1.00 60.33 H new ATOM 1018 N HIS A 70 20.900 11.588 -15.286 1.00 1.13 N ATOM 1019 CA HIS A 70 20.547 12.615 -14.311 1.00 64.43 C ATOM 1020 C HIS A 70 21.220 13.941 -14.652 1.00 23.13 C ATOM 1021 O HIS A 70 20.779 15.003 -14.212 1.00 31.32 O ATOM 1022 CB HIS A 70 20.950 12.172 -12.904 1.00 73.42 C ATOM 1023 CG HIS A 70 22.389 11.775 -12.790 1.00 4.12 C ATOM 1024 ND1 HIS A 70 23.523 12.492 -12.974 1.00 34.34 N flip ATOM 1025 CD2 HIS A 70 22.795 10.502 -12.450 1.00 54.24 C flip ATOM 1026 CE1 HIS A 70 24.581 11.648 -12.744 1.00 54.12 C flip ATOM 1027 NE2 HIS A 70 24.115 10.453 -12.428 1.00 12.05 N flip ATOM 0 H HIS A 70 21.718 11.033 -15.036 1.00 1.13 H new ATOM 0 HA HIS A 70 19.467 12.757 -14.344 1.00 64.43 H new ATOM 0 HB2 HIS A 70 20.749 12.984 -12.205 1.00 73.42 H new ATOM 0 HB3 HIS A 70 20.325 11.331 -12.604 1.00 73.42 H new ATOM 0 HD2 HIS A 70 22.136 9.674 -12.235 1.00 54.24 H new ATOM 0 HE1 HIS A 70 25.625 11.917 -12.811 1.00 54.12 H new ATOM 0 HE2 HIS A 70 24.678 9.632 -12.205 1.00 12.05 H new ATOM 1035 N ARG A 71 22.291 13.872 -15.437 1.00 34.35 N ATOM 1036 CA ARG A 71 23.025 15.067 -15.834 1.00 21.41 C ATOM 1037 C ARG A 71 22.082 16.117 -16.413 1.00 10.34 C ATOM 1038 O ARG A 71 21.894 17.184 -15.829 1.00 42.45 O ATOM 1039 CB ARG A 71 24.102 14.711 -16.861 1.00 12.30 C ATOM 1040 CG ARG A 71 25.508 15.086 -16.423 1.00 64.51 C ATOM 1041 CD ARG A 71 25.734 16.587 -16.499 1.00 3.43 C ATOM 1042 NE ARG A 71 26.979 16.920 -17.186 1.00 63.30 N ATOM 1043 CZ ARG A 71 28.179 16.813 -16.626 1.00 61.51 C ATOM 1044 NH1 ARG A 71 28.295 16.384 -15.377 1.00 25.21 N ATOM 1045 NH2 ARG A 71 29.266 17.134 -17.316 1.00 51.03 N ATOM 0 H ARG A 71 22.669 13.001 -15.810 1.00 34.35 H new ATOM 0 HA ARG A 71 23.502 15.482 -14.946 1.00 21.41 H new ATOM 0 HB2 ARG A 71 24.065 13.639 -17.057 1.00 12.30 H new ATOM 0 HB3 ARG A 71 23.877 15.215 -17.801 1.00 12.30 H new ATOM 0 HG2 ARG A 71 25.676 14.743 -15.402 1.00 64.51 H new ATOM 0 HG3 ARG A 71 26.235 14.575 -17.054 1.00 64.51 H new ATOM 0 HD2 ARG A 71 24.897 17.053 -17.019 1.00 3.43 H new ATOM 0 HD3 ARG A 71 25.754 17.002 -15.491 1.00 3.43 H new ATOM 0 HE ARG A 71 26.924 17.253 -18.149 1.00 63.30 H new ATOM 0 HH11 ARG A 71 27.462 16.135 -14.844 1.00 25.21 H new ATOM 0 HH12 ARG A 71 29.217 16.303 -14.949 1.00 25.21 H new ATOM 0 HH21 ARG A 71 29.181 17.463 -18.278 1.00 51.03 H new ATOM 0 HH22 ARG A 71 30.187 17.051 -16.885 1.00 51.03 H new ATOM 1059 N GLU A 72 21.492 15.807 -17.563 1.00 24.41 N ATOM 1060 CA GLU A 72 20.570 16.725 -18.220 1.00 41.13 C ATOM 1061 C GLU A 72 19.361 17.009 -17.334 1.00 1.43 C ATOM 1062 O GLU A 72 18.797 18.103 -17.368 1.00 10.52 O ATOM 1063 CB GLU A 72 20.109 16.148 -19.560 1.00 62.13 C ATOM 1064 CG GLU A 72 19.063 15.054 -19.425 1.00 2.25 C ATOM 1065 CD GLU A 72 18.807 14.327 -20.730 1.00 71.21 C ATOM 1066 OE1 GLU A 72 19.771 13.778 -21.303 1.00 51.04 O ATOM 1067 OE2 GLU A 72 17.641 14.306 -21.178 1.00 43.31 O ATOM 0 H GLU A 72 21.636 14.927 -18.059 1.00 24.41 H new ATOM 0 HA GLU A 72 21.097 17.663 -18.398 1.00 41.13 H new ATOM 0 HB2 GLU A 72 19.703 16.953 -20.172 1.00 62.13 H new ATOM 0 HB3 GLU A 72 20.973 15.749 -20.091 1.00 62.13 H new ATOM 0 HG2 GLU A 72 19.388 14.337 -18.672 1.00 2.25 H new ATOM 0 HG3 GLU A 72 18.130 15.491 -19.068 1.00 2.25 H new ATOM 1074 N ILE A 73 18.969 16.017 -16.542 1.00 1.01 N ATOM 1075 CA ILE A 73 17.828 16.160 -15.646 1.00 40.23 C ATOM 1076 C ILE A 73 18.064 17.271 -14.628 1.00 63.32 C ATOM 1077 O ILE A 73 17.197 18.114 -14.404 1.00 1.25 O ATOM 1078 CB ILE A 73 17.532 14.847 -14.898 1.00 13.43 C ATOM 1079 CG1 ILE A 73 16.965 13.802 -15.861 1.00 1.31 C ATOM 1080 CG2 ILE A 73 16.564 15.098 -13.751 1.00 1.42 C ATOM 1081 CD1 ILE A 73 15.578 14.134 -16.365 1.00 41.31 C ATOM 0 H ILE A 73 19.425 15.105 -16.502 1.00 1.01 H new ATOM 0 HA ILE A 73 16.969 16.416 -16.267 1.00 40.23 H new ATOM 0 HB ILE A 73 18.465 14.464 -14.484 1.00 13.43 H new ATOM 0 HG12 ILE A 73 17.638 13.702 -16.713 1.00 1.31 H new ATOM 0 HG13 ILE A 73 16.939 12.834 -15.360 1.00 1.31 H new ATOM 0 HG21 ILE A 73 16.364 14.161 -13.232 1.00 1.42 H new ATOM 0 HG22 ILE A 73 17.003 15.812 -13.054 1.00 1.42 H new ATOM 0 HG23 ILE A 73 15.631 15.501 -14.144 1.00 1.42 H new ATOM 0 HD11 ILE A 73 15.240 13.350 -17.042 1.00 41.31 H new ATOM 0 HD12 ILE A 73 14.892 14.205 -15.521 1.00 41.31 H new ATOM 0 HD13 ILE A 73 15.602 15.086 -16.895 1.00 41.31 H new ATOM 1093 N GLU A 74 19.245 17.264 -14.017 1.00 12.40 N ATOM 1094 CA GLU A 74 19.595 18.272 -13.023 1.00 40.53 C ATOM 1095 C GLU A 74 19.560 19.671 -13.632 1.00 4.41 C ATOM 1096 O GLU A 74 18.887 20.566 -13.120 1.00 61.45 O ATOM 1097 CB GLU A 74 20.983 17.990 -12.445 1.00 43.03 C ATOM 1098 CG GLU A 74 21.093 18.276 -10.957 1.00 53.20 C ATOM 1099 CD GLU A 74 22.312 19.109 -10.611 1.00 53.21 C ATOM 1100 OE1 GLU A 74 23.435 18.690 -10.962 1.00 13.20 O ATOM 1101 OE2 GLU A 74 22.143 20.179 -9.990 1.00 0.11 O ATOM 0 H GLU A 74 19.974 16.573 -14.193 1.00 12.40 H new ATOM 0 HA GLU A 74 18.859 18.225 -12.220 1.00 40.53 H new ATOM 0 HB2 GLU A 74 21.237 16.945 -12.625 1.00 43.03 H new ATOM 0 HB3 GLU A 74 21.718 18.593 -12.978 1.00 43.03 H new ATOM 0 HG2 GLU A 74 20.195 18.797 -10.624 1.00 53.20 H new ATOM 0 HG3 GLU A 74 21.135 17.333 -10.412 1.00 53.20 H new ATOM 1108 N MET A 75 20.292 19.852 -14.727 1.00 13.23 N ATOM 1109 CA MET A 75 20.344 21.142 -15.406 1.00 25.33 C ATOM 1110 C MET A 75 18.973 21.524 -15.953 1.00 0.50 C ATOM 1111 O MET A 75 18.670 22.705 -16.125 1.00 25.21 O ATOM 1112 CB MET A 75 21.367 21.102 -16.543 1.00 3.12 C ATOM 1113 CG MET A 75 22.799 21.321 -16.080 1.00 73.34 C ATOM 1114 SD MET A 75 24.012 20.809 -17.312 1.00 22.42 S ATOM 1115 CE MET A 75 23.732 22.030 -18.592 1.00 0.04 C ATOM 0 H MET A 75 20.857 19.123 -15.163 1.00 13.23 H new ATOM 0 HA MET A 75 20.648 21.895 -14.679 1.00 25.33 H new ATOM 0 HB2 MET A 75 21.300 20.138 -17.047 1.00 3.12 H new ATOM 0 HB3 MET A 75 21.111 21.865 -17.278 1.00 3.12 H new ATOM 0 HG2 MET A 75 22.945 22.376 -15.849 1.00 73.34 H new ATOM 0 HG3 MET A 75 22.967 20.766 -15.157 1.00 73.34 H new ATOM 0 HE1 MET A 75 24.446 21.878 -19.402 1.00 0.04 H new ATOM 0 HE2 MET A 75 22.718 21.927 -18.978 1.00 0.04 H new ATOM 0 HE3 MET A 75 23.862 23.029 -18.176 1.00 0.04 H new ATOM 1125 N ALA A 76 18.148 20.519 -16.225 1.00 33.10 N ATOM 1126 CA ALA A 76 16.808 20.751 -16.751 1.00 23.00 C ATOM 1127 C ALA A 76 15.881 21.298 -15.671 1.00 22.54 C ATOM 1128 O ALA A 76 14.970 22.073 -15.957 1.00 51.21 O ATOM 1129 CB ALA A 76 16.241 19.466 -17.335 1.00 72.15 C ATOM 0 H ALA A 76 18.384 19.536 -16.090 1.00 33.10 H new ATOM 0 HA ALA A 76 16.879 21.497 -17.543 1.00 23.00 H new ATOM 0 HB1 ALA A 76 15.240 19.654 -17.724 1.00 72.15 H new ATOM 0 HB2 ALA A 76 16.885 19.118 -18.143 1.00 72.15 H new ATOM 0 HB3 ALA A 76 16.191 18.704 -16.557 1.00 72.15 H new ATOM 1135 N GLN A 77 16.120 20.887 -14.429 1.00 41.02 N ATOM 1136 CA GLN A 77 15.305 21.335 -13.307 1.00 13.33 C ATOM 1137 C GLN A 77 15.300 22.857 -13.211 1.00 4.45 C ATOM 1138 O GLN A 77 14.256 23.496 -13.341 1.00 73.33 O ATOM 1139 CB GLN A 77 15.822 20.731 -12.000 1.00 11.30 C ATOM 1140 CG GLN A 77 15.428 19.276 -11.804 1.00 51.23 C ATOM 1141 CD GLN A 77 16.162 18.623 -10.650 1.00 70.10 C ATOM 1142 OE1 GLN A 77 17.032 17.776 -10.853 1.00 23.35 O ATOM 1143 NE2 GLN A 77 15.814 19.014 -9.430 1.00 4.34 N ATOM 0 H GLN A 77 16.871 20.245 -14.175 1.00 41.02 H new ATOM 0 HA GLN A 77 14.283 20.997 -13.476 1.00 13.33 H new ATOM 0 HB2 GLN A 77 16.909 20.811 -11.978 1.00 11.30 H new ATOM 0 HB3 GLN A 77 15.442 21.317 -11.163 1.00 11.30 H new ATOM 0 HG2 GLN A 77 14.354 19.215 -11.628 1.00 51.23 H new ATOM 0 HG3 GLN A 77 15.633 18.722 -12.720 1.00 51.23 H new ATOM 0 HE21 GLN A 77 15.087 19.719 -9.308 1.00 4.34 H new ATOM 0 HE22 GLN A 77 16.273 18.609 -8.614 1.00 4.34 H new ATOM 1152 N LYS A 78 16.475 23.434 -12.981 1.00 22.03 N ATOM 1153 CA LYS A 78 16.609 24.882 -12.868 1.00 35.54 C ATOM 1154 C LYS A 78 16.178 25.570 -14.159 1.00 4.11 C ATOM 1155 O LYS A 78 15.465 26.574 -14.131 1.00 73.34 O ATOM 1156 CB LYS A 78 18.054 25.257 -12.534 1.00 62.32 C ATOM 1157 CG LYS A 78 18.176 26.497 -11.666 1.00 30.34 C ATOM 1158 CD LYS A 78 19.032 27.561 -12.330 1.00 43.44 C ATOM 1159 CE LYS A 78 20.512 27.338 -12.057 1.00 73.53 C ATOM 1160 NZ LYS A 78 21.171 28.565 -11.531 1.00 35.22 N ATOM 0 H LYS A 78 17.349 22.920 -12.869 1.00 22.03 H new ATOM 0 HA LYS A 78 15.958 25.221 -12.062 1.00 35.54 H new ATOM 0 HB2 LYS A 78 18.529 24.419 -12.024 1.00 62.32 H new ATOM 0 HB3 LYS A 78 18.602 25.418 -13.462 1.00 62.32 H new ATOM 0 HG2 LYS A 78 17.184 26.900 -11.465 1.00 30.34 H new ATOM 0 HG3 LYS A 78 18.611 26.227 -10.704 1.00 30.34 H new ATOM 0 HD2 LYS A 78 18.854 27.553 -13.405 1.00 43.44 H new ATOM 0 HD3 LYS A 78 18.738 28.545 -11.965 1.00 43.44 H new ATOM 0 HE2 LYS A 78 20.630 26.526 -11.339 1.00 73.53 H new ATOM 0 HE3 LYS A 78 21.008 27.025 -12.976 1.00 73.53 H new ATOM 0 HZ1 LYS A 78 22.178 28.371 -11.358 1.00 35.22 H new ATOM 0 HZ2 LYS A 78 21.081 29.333 -12.227 1.00 35.22 H new ATOM 0 HZ3 LYS A 78 20.715 28.849 -10.640 1.00 35.22 H new ATOM 1174 N LEU A 79 16.615 25.025 -15.289 1.00 22.54 N ATOM 1175 CA LEU A 79 16.274 25.586 -16.591 1.00 72.43 C ATOM 1176 C LEU A 79 14.763 25.722 -16.746 1.00 55.41 C ATOM 1177 O LEU A 79 14.262 26.770 -17.157 1.00 41.22 O ATOM 1178 CB LEU A 79 16.835 24.706 -17.710 1.00 41.52 C ATOM 1179 CG LEU A 79 16.264 24.952 -19.107 1.00 72.11 C ATOM 1180 CD1 LEU A 79 17.372 24.930 -20.148 1.00 71.55 C ATOM 1181 CD2 LEU A 79 15.198 23.917 -19.437 1.00 64.41 C ATOM 0 H LEU A 79 17.206 24.195 -15.330 1.00 22.54 H new ATOM 0 HA LEU A 79 16.719 26.579 -16.659 1.00 72.43 H new ATOM 0 HB2 LEU A 79 17.915 24.849 -17.750 1.00 41.52 H new ATOM 0 HB3 LEU A 79 16.661 23.663 -17.447 1.00 41.52 H new ATOM 0 HG LEU A 79 15.801 25.939 -19.121 1.00 72.11 H new ATOM 0 HD11 LEU A 79 16.947 25.107 -21.136 1.00 71.55 H new ATOM 0 HD12 LEU A 79 18.100 25.709 -19.921 1.00 71.55 H new ATOM 0 HD13 LEU A 79 17.865 23.958 -20.134 1.00 71.55 H new ATOM 0 HD21 LEU A 79 14.803 24.107 -20.435 1.00 64.41 H new ATOM 0 HD22 LEU A 79 15.637 22.920 -19.405 1.00 64.41 H new ATOM 0 HD23 LEU A 79 14.390 23.982 -18.708 1.00 64.41 H new ATOM 1193 N LEU A 80 14.040 24.659 -16.412 1.00 63.45 N ATOM 1194 CA LEU A 80 12.585 24.660 -16.512 1.00 51.10 C ATOM 1195 C LEU A 80 11.988 25.837 -15.747 1.00 51.11 C ATOM 1196 O LEU A 80 11.092 26.521 -16.241 1.00 23.32 O ATOM 1197 CB LEU A 80 12.016 23.346 -15.974 1.00 12.10 C ATOM 1198 CG LEU A 80 10.674 22.906 -16.560 1.00 15.35 C ATOM 1199 CD1 LEU A 80 10.887 22.007 -17.768 1.00 11.54 C ATOM 1200 CD2 LEU A 80 9.839 22.195 -15.504 1.00 54.44 C ATOM 0 H LEU A 80 14.438 23.785 -16.069 1.00 63.45 H new ATOM 0 HA LEU A 80 12.318 24.761 -17.564 1.00 51.10 H new ATOM 0 HB2 LEU A 80 12.745 22.556 -16.155 1.00 12.10 H new ATOM 0 HB3 LEU A 80 11.906 23.436 -14.893 1.00 12.10 H new ATOM 0 HG LEU A 80 10.133 23.794 -16.886 1.00 15.35 H new ATOM 0 HD11 LEU A 80 9.921 21.704 -18.171 1.00 11.54 H new ATOM 0 HD12 LEU A 80 11.445 22.549 -18.531 1.00 11.54 H new ATOM 0 HD13 LEU A 80 11.449 21.122 -17.468 1.00 11.54 H new ATOM 0 HD21 LEU A 80 8.887 21.889 -15.938 1.00 54.44 H new ATOM 0 HD22 LEU A 80 10.375 21.315 -15.148 1.00 54.44 H new ATOM 0 HD23 LEU A 80 9.656 22.871 -14.669 1.00 54.44 H new ATOM 1212 N ASN A 81 12.492 26.068 -14.539 1.00 44.24 N ATOM 1213 CA ASN A 81 12.010 27.164 -13.706 1.00 61.05 C ATOM 1214 C ASN A 81 12.028 28.481 -14.476 1.00 51.04 C ATOM 1215 O ASN A 81 11.046 29.224 -14.478 1.00 45.04 O ATOM 1216 CB ASN A 81 12.865 27.287 -12.444 1.00 22.13 C ATOM 1217 CG ASN A 81 12.104 27.907 -11.288 1.00 33.51 C ATOM 1218 OD1 ASN A 81 10.883 28.059 -11.345 1.00 24.35 O ATOM 1219 ND2 ASN A 81 12.823 28.268 -10.232 1.00 31.45 N ATOM 0 H ASN A 81 13.234 25.511 -14.115 1.00 44.24 H new ATOM 0 HA ASN A 81 10.981 26.945 -13.420 1.00 61.05 H new ATOM 0 HB2 ASN A 81 13.222 26.299 -12.152 1.00 22.13 H new ATOM 0 HB3 ASN A 81 13.745 27.892 -12.662 1.00 22.13 H new ATOM 0 HD21 ASN A 81 12.366 28.690 -9.424 1.00 31.45 H new ATOM 0 HD22 ASN A 81 13.833 28.123 -10.229 1.00 31.45 H new ATOM 1226 N SER A 82 13.150 28.763 -15.130 1.00 5.11 N ATOM 1227 CA SER A 82 13.298 29.992 -15.901 1.00 72.23 C ATOM 1228 C SER A 82 12.148 30.153 -16.891 1.00 61.23 C ATOM 1229 O SER A 82 11.484 31.189 -16.925 1.00 70.21 O ATOM 1230 CB SER A 82 14.633 29.993 -16.648 1.00 50.02 C ATOM 1231 OG SER A 82 15.291 31.241 -16.514 1.00 24.43 O ATOM 0 H SER A 82 13.970 28.157 -15.141 1.00 5.11 H new ATOM 0 HA SER A 82 13.278 30.832 -15.207 1.00 72.23 H new ATOM 0 HB2 SER A 82 15.271 29.199 -16.261 1.00 50.02 H new ATOM 0 HB3 SER A 82 14.463 29.779 -17.703 1.00 50.02 H new ATOM 0 HG SER A 82 16.142 31.216 -16.999 1.00 24.43 H new ATOM 1237 N ASP A 83 11.920 29.120 -17.696 1.00 14.54 N ATOM 1238 CA ASP A 83 10.850 29.145 -18.686 1.00 50.45 C ATOM 1239 C ASP A 83 9.521 29.528 -18.042 1.00 43.33 C ATOM 1240 O ASP A 83 8.732 30.277 -18.620 1.00 10.11 O ATOM 1241 CB ASP A 83 10.726 27.782 -19.369 1.00 0.13 C ATOM 1242 CG ASP A 83 12.069 27.226 -19.800 1.00 50.31 C ATOM 1243 OD1 ASP A 83 12.896 28.007 -20.317 1.00 21.31 O ATOM 1244 OD2 ASP A 83 12.293 26.011 -19.620 1.00 42.31 O ATOM 0 H ASP A 83 12.462 28.256 -17.682 1.00 14.54 H new ATOM 0 HA ASP A 83 11.100 29.897 -19.435 1.00 50.45 H new ATOM 0 HB2 ASP A 83 10.247 27.079 -18.687 1.00 0.13 H new ATOM 0 HB3 ASP A 83 10.077 27.873 -20.240 1.00 0.13 H new ATOM 1249 N LEU A 84 9.280 29.009 -16.844 1.00 13.45 N ATOM 1250 CA LEU A 84 8.046 29.296 -16.120 1.00 75.14 C ATOM 1251 C LEU A 84 7.827 30.800 -15.990 1.00 64.10 C ATOM 1252 O LEU A 84 6.900 31.356 -16.578 1.00 22.20 O ATOM 1253 CB LEU A 84 8.083 28.652 -14.733 1.00 51.32 C ATOM 1254 CG LEU A 84 6.750 28.587 -13.988 1.00 35.35 C ATOM 1255 CD1 LEU A 84 6.711 27.376 -13.069 1.00 32.53 C ATOM 1256 CD2 LEU A 84 6.517 29.866 -13.197 1.00 22.02 C ATOM 0 H LEU A 84 9.922 28.387 -16.353 1.00 13.45 H new ATOM 0 HA LEU A 84 7.216 28.875 -16.687 1.00 75.14 H new ATOM 0 HB2 LEU A 84 8.469 27.638 -14.835 1.00 51.32 H new ATOM 0 HB3 LEU A 84 8.794 29.203 -14.117 1.00 51.32 H new ATOM 0 HG LEU A 84 5.951 28.487 -14.722 1.00 35.35 H new ATOM 0 HD11 LEU A 84 5.755 27.346 -12.547 1.00 32.53 H new ATOM 0 HD12 LEU A 84 6.831 26.467 -13.659 1.00 32.53 H new ATOM 0 HD13 LEU A 84 7.520 27.445 -12.341 1.00 32.53 H new ATOM 0 HD21 LEU A 84 5.563 29.801 -12.673 1.00 22.02 H new ATOM 0 HD22 LEU A 84 7.321 29.997 -12.472 1.00 22.02 H new ATOM 0 HD23 LEU A 84 6.500 30.717 -13.878 1.00 22.02 H new ATOM 1268 N ALA A 85 8.689 31.453 -15.217 1.00 62.23 N ATOM 1269 CA ALA A 85 8.593 32.893 -15.013 1.00 64.14 C ATOM 1270 C ALA A 85 8.494 33.630 -16.344 1.00 54.44 C ATOM 1271 O ALA A 85 7.796 34.638 -16.454 1.00 45.35 O ATOM 1272 CB ALA A 85 9.790 33.394 -14.218 1.00 50.24 C ATOM 0 H ALA A 85 9.461 31.007 -14.722 1.00 62.23 H new ATOM 0 HA ALA A 85 7.684 33.095 -14.447 1.00 64.14 H new ATOM 0 HB1 ALA A 85 9.705 34.471 -14.073 1.00 50.24 H new ATOM 0 HB2 ALA A 85 9.816 32.898 -13.248 1.00 50.24 H new ATOM 0 HB3 ALA A 85 10.707 33.172 -14.763 1.00 50.24 H new ATOM 1278 N GLU A 86 9.196 33.121 -17.352 1.00 14.20 N ATOM 1279 CA GLU A 86 9.186 33.734 -18.675 1.00 61.11 C ATOM 1280 C GLU A 86 7.771 33.779 -19.244 1.00 13.34 C ATOM 1281 O GLU A 86 7.331 34.806 -19.763 1.00 35.11 O ATOM 1282 CB GLU A 86 10.105 32.963 -19.625 1.00 74.33 C ATOM 1283 CG GLU A 86 10.762 33.837 -20.680 1.00 10.12 C ATOM 1284 CD GLU A 86 11.718 34.852 -20.083 1.00 61.41 C ATOM 1285 OE1 GLU A 86 12.257 34.587 -18.988 1.00 43.34 O ATOM 1286 OE2 GLU A 86 11.927 35.910 -20.712 1.00 11.31 O ATOM 0 H GLU A 86 9.778 32.287 -17.278 1.00 14.20 H new ATOM 0 HA GLU A 86 9.552 34.756 -18.576 1.00 61.11 H new ATOM 0 HB2 GLU A 86 10.881 32.466 -19.043 1.00 74.33 H new ATOM 0 HB3 GLU A 86 9.528 32.182 -20.120 1.00 74.33 H new ATOM 0 HG2 GLU A 86 11.302 33.205 -21.385 1.00 10.12 H new ATOM 0 HG3 GLU A 86 9.991 34.359 -21.246 1.00 10.12 H new ATOM 1293 N LEU A 87 7.063 32.660 -19.142 1.00 72.23 N ATOM 1294 CA LEU A 87 5.697 32.570 -19.646 1.00 52.14 C ATOM 1295 C LEU A 87 4.766 33.491 -18.864 1.00 41.11 C ATOM 1296 O LEU A 87 3.973 34.230 -19.448 1.00 74.55 O ATOM 1297 CB LEU A 87 5.195 31.128 -19.562 1.00 32.42 C ATOM 1298 CG LEU A 87 4.102 30.738 -20.558 1.00 62.30 C ATOM 1299 CD1 LEU A 87 2.839 31.548 -20.309 1.00 64.25 C ATOM 1300 CD2 LEU A 87 4.589 30.931 -21.987 1.00 24.23 C ATOM 0 H LEU A 87 7.412 31.802 -18.715 1.00 72.23 H new ATOM 0 HA LEU A 87 5.700 32.887 -20.689 1.00 52.14 H new ATOM 0 HB2 LEU A 87 6.044 30.460 -19.705 1.00 32.42 H new ATOM 0 HB3 LEU A 87 4.819 30.954 -18.554 1.00 32.42 H new ATOM 0 HG LEU A 87 3.866 29.683 -20.415 1.00 62.30 H new ATOM 0 HD11 LEU A 87 2.073 31.257 -21.027 1.00 64.25 H new ATOM 0 HD12 LEU A 87 2.479 31.359 -19.298 1.00 64.25 H new ATOM 0 HD13 LEU A 87 3.059 32.609 -20.424 1.00 64.25 H new ATOM 0 HD21 LEU A 87 3.798 30.649 -22.682 1.00 24.23 H new ATOM 0 HD22 LEU A 87 4.853 31.977 -22.143 1.00 24.23 H new ATOM 0 HD23 LEU A 87 5.465 30.306 -22.160 1.00 24.23 H new ATOM 1312 N ILE A 88 4.870 33.444 -17.540 1.00 64.54 N ATOM 1313 CA ILE A 88 4.040 34.276 -16.679 1.00 4.13 C ATOM 1314 C ILE A 88 4.311 35.757 -16.920 1.00 13.42 C ATOM 1315 O ILE A 88 3.393 36.577 -16.903 1.00 62.31 O ATOM 1316 CB ILE A 88 4.278 33.958 -15.191 1.00 14.14 C ATOM 1317 CG1 ILE A 88 4.186 32.450 -14.948 1.00 1.10 C ATOM 1318 CG2 ILE A 88 3.273 34.702 -14.323 1.00 73.54 C ATOM 1319 CD1 ILE A 88 2.872 31.845 -15.391 1.00 44.45 C ATOM 0 H ILE A 88 5.521 32.838 -17.041 1.00 64.54 H new ATOM 0 HA ILE A 88 3.003 34.053 -16.929 1.00 4.13 H new ATOM 0 HB ILE A 88 5.280 34.290 -14.919 1.00 14.14 H new ATOM 0 HG12 ILE A 88 5.001 31.955 -15.476 1.00 1.10 H new ATOM 0 HG13 ILE A 88 4.328 32.252 -13.886 1.00 1.10 H new ATOM 0 HG21 ILE A 88 3.454 34.467 -13.274 1.00 73.54 H new ATOM 0 HG22 ILE A 88 3.382 35.775 -14.479 1.00 73.54 H new ATOM 0 HG23 ILE A 88 2.262 34.397 -14.594 1.00 73.54 H new ATOM 0 HD11 ILE A 88 2.878 30.774 -15.188 1.00 44.45 H new ATOM 0 HD12 ILE A 88 2.053 32.313 -14.845 1.00 44.45 H new ATOM 0 HD13 ILE A 88 2.737 32.011 -16.460 1.00 44.45 H new ATOM 1331 N ASN A 89 5.577 36.093 -17.146 1.00 14.24 N ATOM 1332 CA ASN A 89 5.968 37.476 -17.392 1.00 2.32 C ATOM 1333 C ASN A 89 5.316 38.008 -18.664 1.00 41.04 C ATOM 1334 O ASN A 89 4.524 38.950 -18.623 1.00 32.40 O ATOM 1335 CB ASN A 89 7.490 37.585 -17.501 1.00 44.55 C ATOM 1336 CG ASN A 89 7.956 39.018 -17.681 1.00 31.44 C ATOM 1337 OD1 ASN A 89 7.357 39.949 -17.143 1.00 35.22 O ATOM 1338 ND2 ASN A 89 9.030 39.200 -18.440 1.00 21.21 N ATOM 0 H ASN A 89 6.349 35.427 -17.164 1.00 14.24 H new ATOM 0 HA ASN A 89 5.626 38.079 -16.551 1.00 2.32 H new ATOM 0 HB2 ASN A 89 7.947 37.167 -16.604 1.00 44.55 H new ATOM 0 HB3 ASN A 89 7.835 36.985 -18.343 1.00 44.55 H new ATOM 0 HD21 ASN A 89 9.390 40.141 -18.597 1.00 21.21 H new ATOM 0 HD22 ASN A 89 9.495 38.398 -18.866 1.00 21.21 H new ATOM 1345 N LYS A 90 5.654 37.398 -19.795 1.00 62.13 N ATOM 1346 CA LYS A 90 5.101 37.807 -21.081 1.00 23.01 C ATOM 1347 C LYS A 90 3.578 37.871 -21.023 1.00 24.42 C ATOM 1348 O LYS A 90 2.969 38.826 -21.503 1.00 62.11 O ATOM 1349 CB LYS A 90 5.540 36.837 -22.180 1.00 62.31 C ATOM 1350 CG LYS A 90 7.048 36.689 -22.295 1.00 55.51 C ATOM 1351 CD LYS A 90 7.689 37.946 -22.859 1.00 1.20 C ATOM 1352 CE LYS A 90 8.033 37.784 -24.332 1.00 30.33 C ATOM 1353 NZ LYS A 90 9.330 37.077 -24.524 1.00 34.02 N ATOM 0 H LYS A 90 6.309 36.618 -19.847 1.00 62.13 H new ATOM 0 HA LYS A 90 5.480 38.803 -21.311 1.00 23.01 H new ATOM 0 HB2 LYS A 90 5.101 35.858 -21.986 1.00 62.31 H new ATOM 0 HB3 LYS A 90 5.143 37.180 -23.135 1.00 62.31 H new ATOM 0 HG2 LYS A 90 7.469 36.473 -21.313 1.00 55.51 H new ATOM 0 HG3 LYS A 90 7.284 35.840 -22.936 1.00 55.51 H new ATOM 0 HD2 LYS A 90 7.010 38.789 -22.734 1.00 1.20 H new ATOM 0 HD3 LYS A 90 8.593 38.178 -22.297 1.00 1.20 H new ATOM 0 HE2 LYS A 90 7.239 37.229 -24.831 1.00 30.33 H new ATOM 0 HE3 LYS A 90 8.081 38.765 -24.804 1.00 30.33 H new ATOM 0 HZ1 LYS A 90 9.529 36.986 -25.541 1.00 34.02 H new ATOM 0 HZ2 LYS A 90 10.092 37.620 -24.069 1.00 34.02 H new ATOM 0 HZ3 LYS A 90 9.276 36.131 -24.096 1.00 34.02 H new ATOM 1367 N MET A 91 2.970 36.848 -20.430 1.00 41.23 N ATOM 1368 CA MET A 91 1.518 36.790 -20.307 1.00 42.53 C ATOM 1369 C MET A 91 0.981 38.037 -19.612 1.00 5.43 C ATOM 1370 O MET A 91 0.081 38.706 -20.120 1.00 61.21 O ATOM 1371 CB MET A 91 1.100 35.540 -19.532 1.00 30.31 C ATOM 1372 CG MET A 91 -0.384 35.229 -19.635 1.00 34.21 C ATOM 1373 SD MET A 91 -1.362 36.085 -18.384 1.00 63.44 S ATOM 1374 CE MET A 91 -2.970 35.342 -18.645 1.00 75.41 C ATOM 0 H MET A 91 3.460 36.049 -20.028 1.00 41.23 H new ATOM 0 HA MET A 91 1.095 36.745 -21.311 1.00 42.53 H new ATOM 0 HB2 MET A 91 1.668 34.686 -19.902 1.00 30.31 H new ATOM 0 HB3 MET A 91 1.364 35.668 -18.482 1.00 30.31 H new ATOM 0 HG2 MET A 91 -0.742 35.510 -20.625 1.00 34.21 H new ATOM 0 HG3 MET A 91 -0.534 34.154 -19.535 1.00 34.21 H new ATOM 0 HE1 MET A 91 -3.448 35.162 -17.682 1.00 75.41 H new ATOM 0 HE2 MET A 91 -3.590 36.015 -19.238 1.00 75.41 H new ATOM 0 HE3 MET A 91 -2.852 34.396 -19.174 1.00 75.41 H new ATOM 1384 N LYS A 92 1.539 38.345 -18.446 1.00 4.42 N ATOM 1385 CA LYS A 92 1.118 39.512 -17.680 1.00 42.50 C ATOM 1386 C LYS A 92 1.128 40.766 -18.549 1.00 72.01 C ATOM 1387 O LYS A 92 0.332 41.683 -18.343 1.00 11.14 O ATOM 1388 CB LYS A 92 2.033 39.711 -16.470 1.00 2.35 C ATOM 1389 CG LYS A 92 1.723 38.777 -15.313 1.00 24.21 C ATOM 1390 CD LYS A 92 2.621 39.051 -14.118 1.00 45.34 C ATOM 1391 CE LYS A 92 1.852 38.959 -12.810 1.00 30.24 C ATOM 1392 NZ LYS A 92 1.693 40.291 -12.164 1.00 42.42 N ATOM 0 H LYS A 92 2.285 37.802 -18.011 1.00 4.42 H new ATOM 0 HA LYS A 92 0.099 39.339 -17.333 1.00 42.50 H new ATOM 0 HB2 LYS A 92 3.068 39.562 -16.779 1.00 2.35 H new ATOM 0 HB3 LYS A 92 1.948 40.742 -16.127 1.00 2.35 H new ATOM 0 HG2 LYS A 92 0.680 38.894 -15.020 1.00 24.21 H new ATOM 0 HG3 LYS A 92 1.850 37.743 -15.635 1.00 24.21 H new ATOM 0 HD2 LYS A 92 3.444 38.336 -14.108 1.00 45.34 H new ATOM 0 HD3 LYS A 92 3.062 40.043 -14.213 1.00 45.34 H new ATOM 0 HE2 LYS A 92 0.869 38.526 -12.997 1.00 30.24 H new ATOM 0 HE3 LYS A 92 2.373 38.285 -12.129 1.00 30.24 H new ATOM 0 HZ1 LYS A 92 1.163 40.185 -11.275 1.00 42.42 H new ATOM 0 HZ2 LYS A 92 2.631 40.693 -11.962 1.00 42.42 H new ATOM 0 HZ3 LYS A 92 1.174 40.927 -12.803 1.00 42.42 H new ATOM 1406 N LEU A 93 2.032 40.799 -19.522 1.00 74.31 N ATOM 1407 CA LEU A 93 2.144 41.940 -20.424 1.00 75.54 C ATOM 1408 C LEU A 93 1.033 41.918 -21.469 1.00 55.53 C ATOM 1409 O LEU A 93 0.366 42.926 -21.701 1.00 52.51 O ATOM 1410 CB LEU A 93 3.509 41.937 -21.115 1.00 34.13 C ATOM 1411 CG LEU A 93 4.585 42.816 -20.477 1.00 11.01 C ATOM 1412 CD1 LEU A 93 4.139 44.270 -20.449 1.00 63.21 C ATOM 1413 CD2 LEU A 93 4.908 42.328 -19.072 1.00 44.51 C ATOM 0 H LEU A 93 2.698 40.049 -19.706 1.00 74.31 H new ATOM 0 HA LEU A 93 2.045 42.850 -19.833 1.00 75.54 H new ATOM 0 HB2 LEU A 93 3.877 40.911 -21.145 1.00 34.13 H new ATOM 0 HB3 LEU A 93 3.372 42.257 -22.148 1.00 34.13 H new ATOM 0 HG LEU A 93 5.490 42.746 -21.081 1.00 11.01 H new ATOM 0 HD11 LEU A 93 4.917 44.881 -19.991 1.00 63.21 H new ATOM 0 HD12 LEU A 93 3.959 44.615 -21.467 1.00 63.21 H new ATOM 0 HD13 LEU A 93 3.221 44.358 -19.868 1.00 63.21 H new ATOM 0 HD21 LEU A 93 5.676 42.965 -18.633 1.00 44.51 H new ATOM 0 HD22 LEU A 93 4.009 42.367 -18.457 1.00 44.51 H new ATOM 0 HD23 LEU A 93 5.271 41.301 -19.118 1.00 44.51 H new ATOM 1425 N ALA A 94 0.838 40.762 -22.095 1.00 40.55 N ATOM 1426 CA ALA A 94 -0.195 40.609 -23.112 1.00 61.24 C ATOM 1427 C ALA A 94 -1.549 41.084 -22.596 1.00 3.11 C ATOM 1428 O ALA A 94 -2.346 41.647 -23.346 1.00 23.02 O ATOM 1429 CB ALA A 94 -0.280 39.158 -23.564 1.00 3.24 C ATOM 0 H ALA A 94 1.382 39.918 -21.916 1.00 40.55 H new ATOM 0 HA ALA A 94 0.077 41.229 -23.966 1.00 61.24 H new ATOM 0 HB1 ALA A 94 -1.055 39.058 -24.324 1.00 3.24 H new ATOM 0 HB2 ALA A 94 0.679 38.850 -23.982 1.00 3.24 H new ATOM 0 HB3 ALA A 94 -0.524 38.525 -22.711 1.00 3.24 H new ATOM 1435 N GLN A 95 -1.801 40.853 -21.312 1.00 13.03 N ATOM 1436 CA GLN A 95 -3.060 41.257 -20.696 1.00 71.15 C ATOM 1437 C GLN A 95 -3.298 42.753 -20.876 1.00 33.42 C ATOM 1438 O GLN A 95 -4.441 43.204 -20.945 1.00 71.01 O ATOM 1439 CB GLN A 95 -3.061 40.903 -19.208 1.00 55.03 C ATOM 1440 CG GLN A 95 -4.454 40.717 -18.629 1.00 33.14 C ATOM 1441 CD GLN A 95 -5.145 39.475 -19.156 1.00 61.32 C ATOM 1442 OE1 GLN A 95 -4.589 38.742 -19.976 1.00 15.35 O ATOM 1443 NE2 GLN A 95 -6.363 39.230 -18.688 1.00 53.41 N ATOM 0 H GLN A 95 -1.151 40.389 -20.678 1.00 13.03 H new ATOM 0 HA GLN A 95 -3.868 40.717 -21.190 1.00 71.15 H new ATOM 0 HB2 GLN A 95 -2.490 39.987 -19.061 1.00 55.03 H new ATOM 0 HB3 GLN A 95 -2.549 41.690 -18.655 1.00 55.03 H new ATOM 0 HG2 GLN A 95 -4.387 40.657 -17.543 1.00 33.14 H new ATOM 0 HG3 GLN A 95 -5.060 41.592 -18.863 1.00 33.14 H new ATOM 0 HE21 GLN A 95 -6.786 39.864 -18.010 1.00 53.41 H new ATOM 0 HE22 GLN A 95 -6.876 38.408 -19.007 1.00 53.41 H new ATOM 1452 N GLN A 96 -2.212 43.515 -20.950 1.00 12.23 N ATOM 1453 CA GLN A 96 -2.304 44.960 -21.120 1.00 13.42 C ATOM 1454 C GLN A 96 -1.985 45.361 -22.556 1.00 70.13 C ATOM 1455 O GLN A 96 -2.385 46.431 -23.017 1.00 23.45 O ATOM 1456 CB GLN A 96 -1.352 45.670 -20.156 1.00 43.22 C ATOM 1457 CG GLN A 96 -2.063 46.452 -19.063 1.00 63.31 C ATOM 1458 CD GLN A 96 -1.099 47.120 -18.103 1.00 10.24 C ATOM 1459 OE1 GLN A 96 -1.116 46.852 -16.901 1.00 21.20 O ATOM 1460 NE2 GLN A 96 -0.251 47.997 -18.628 1.00 74.23 N ATOM 0 H GLN A 96 -1.259 43.156 -20.895 1.00 12.23 H new ATOM 0 HA GLN A 96 -3.327 45.262 -20.897 1.00 13.42 H new ATOM 0 HB2 GLN A 96 -0.697 44.931 -19.695 1.00 43.22 H new ATOM 0 HB3 GLN A 96 -0.716 46.350 -20.722 1.00 43.22 H new ATOM 0 HG2 GLN A 96 -2.699 47.210 -19.519 1.00 63.31 H new ATOM 0 HG3 GLN A 96 -2.716 45.780 -18.507 1.00 63.31 H new ATOM 0 HE21 GLN A 96 -0.271 48.189 -19.630 1.00 74.23 H new ATOM 0 HE22 GLN A 96 0.420 48.478 -18.030 1.00 74.23 H new ATOM 1469 N TYR A 97 -1.263 44.496 -23.260 1.00 24.05 N ATOM 1470 CA TYR A 97 -0.887 44.761 -24.643 1.00 71.13 C ATOM 1471 C TYR A 97 -1.806 44.018 -25.609 1.00 24.03 C ATOM 1472 O TYR A 97 -1.422 43.711 -26.737 1.00 64.33 O ATOM 1473 CB TYR A 97 0.566 44.351 -24.887 1.00 22.31 C ATOM 1474 CG TYR A 97 1.567 45.426 -24.529 1.00 51.22 C ATOM 1475 CD1 TYR A 97 1.638 45.936 -23.239 1.00 34.13 C ATOM 1476 CD2 TYR A 97 2.443 45.932 -25.482 1.00 53.01 C ATOM 1477 CE1 TYR A 97 2.550 46.919 -22.908 1.00 12.10 C ATOM 1478 CE2 TYR A 97 3.359 46.914 -25.160 1.00 3.20 C ATOM 1479 CZ TYR A 97 3.409 47.405 -23.872 1.00 34.22 C ATOM 1480 OH TYR A 97 4.320 48.383 -23.546 1.00 12.20 O ATOM 0 H TYR A 97 -0.926 43.605 -22.895 1.00 24.05 H new ATOM 0 HA TYR A 97 -0.990 45.831 -24.822 1.00 71.13 H new ATOM 0 HB2 TYR A 97 0.784 43.455 -24.306 1.00 22.31 H new ATOM 0 HB3 TYR A 97 0.689 44.087 -25.937 1.00 22.31 H new ATOM 0 HD1 TYR A 97 0.968 45.557 -22.481 1.00 34.13 H new ATOM 0 HD2 TYR A 97 2.407 45.551 -26.492 1.00 53.01 H new ATOM 0 HE1 TYR A 97 2.590 47.305 -21.900 1.00 12.10 H new ATOM 0 HE2 TYR A 97 4.033 47.296 -25.913 1.00 3.20 H new ATOM 0 HH TYR A 97 4.850 48.613 -24.338 1.00 12.20 H new ATOM 1490 N VAL A 98 -3.023 43.733 -25.156 1.00 64.33 N ATOM 1491 CA VAL A 98 -3.998 43.028 -25.979 1.00 32.40 C ATOM 1492 C VAL A 98 -5.141 43.950 -26.388 1.00 62.04 C ATOM 1493 O VAL A 98 -5.650 43.866 -27.506 1.00 31.55 O ATOM 1494 CB VAL A 98 -4.578 41.807 -25.240 1.00 30.02 C ATOM 1495 CG1 VAL A 98 -5.162 42.223 -23.898 1.00 73.24 C ATOM 1496 CG2 VAL A 98 -5.628 41.115 -26.096 1.00 43.24 C ATOM 0 H VAL A 98 -3.357 43.979 -24.224 1.00 64.33 H new ATOM 0 HA VAL A 98 -3.472 42.688 -26.871 1.00 32.40 H new ATOM 0 HB VAL A 98 -3.770 41.099 -25.054 1.00 30.02 H new ATOM 0 HG11 VAL A 98 -5.567 41.348 -23.390 1.00 73.24 H new ATOM 0 HG12 VAL A 98 -4.380 42.669 -23.284 1.00 73.24 H new ATOM 0 HG13 VAL A 98 -5.958 42.951 -24.057 1.00 73.24 H new ATOM 0 HG21 VAL A 98 -6.027 40.255 -25.558 1.00 43.24 H new ATOM 0 HG22 VAL A 98 -6.436 41.813 -26.315 1.00 43.24 H new ATOM 0 HG23 VAL A 98 -5.174 40.781 -27.029 1.00 43.24 H new ATOM 1506 N MET A 99 -5.539 44.831 -25.476 1.00 44.04 N ATOM 1507 CA MET A 99 -6.621 45.771 -25.744 1.00 2.33 C ATOM 1508 C MET A 99 -6.149 46.898 -26.658 1.00 22.24 C ATOM 1509 O MET A 99 -6.959 47.608 -27.255 1.00 23.13 O ATOM 1510 CB MET A 99 -7.156 46.352 -24.433 1.00 43.13 C ATOM 1511 CG MET A 99 -6.228 47.376 -23.799 1.00 30.53 C ATOM 1512 SD MET A 99 -6.848 49.062 -23.949 1.00 44.12 S ATOM 1513 CE MET A 99 -5.331 49.950 -24.294 1.00 0.40 C ATOM 0 H MET A 99 -5.129 44.914 -24.546 1.00 44.04 H new ATOM 0 HA MET A 99 -7.422 45.230 -26.248 1.00 2.33 H new ATOM 0 HB2 MET A 99 -8.124 46.817 -24.619 1.00 43.13 H new ATOM 0 HB3 MET A 99 -7.324 45.539 -23.726 1.00 43.13 H new ATOM 0 HG2 MET A 99 -6.094 47.135 -22.745 1.00 30.53 H new ATOM 0 HG3 MET A 99 -5.246 47.311 -24.269 1.00 30.53 H new ATOM 0 HE1 MET A 99 -5.413 50.970 -23.919 1.00 0.40 H new ATOM 0 HE2 MET A 99 -4.496 49.449 -23.803 1.00 0.40 H new ATOM 0 HE3 MET A 99 -5.159 49.972 -25.370 1.00 0.40 H new ATOM 1523 N THR A 100 -4.833 47.057 -26.763 1.00 11.15 N ATOM 1524 CA THR A 100 -4.254 48.098 -27.602 1.00 62.11 C ATOM 1525 C THR A 100 -4.292 47.702 -29.074 1.00 24.23 C ATOM 1526 O THR A 100 -5.093 48.226 -29.847 1.00 32.30 O ATOM 1527 CB THR A 100 -2.797 48.398 -27.200 1.00 54.13 C ATOM 1528 OG1 THR A 100 -2.747 48.850 -25.843 1.00 11.44 O ATOM 1529 CG2 THR A 100 -2.190 49.452 -28.114 1.00 31.10 C ATOM 0 H THR A 100 -4.148 46.478 -26.277 1.00 11.15 H new ATOM 0 HA THR A 100 -4.856 48.995 -27.454 1.00 62.11 H new ATOM 0 HB THR A 100 -2.219 47.479 -27.298 1.00 54.13 H new ATOM 0 HG1 THR A 100 -1.818 49.037 -25.594 1.00 11.44 H new ATOM 0 HG21 THR A 100 -1.161 49.647 -27.811 1.00 31.10 H new ATOM 0 HG22 THR A 100 -2.203 49.093 -29.143 1.00 31.10 H new ATOM 0 HG23 THR A 100 -2.770 50.372 -28.044 1.00 31.10 H new ATOM 1537 N SER A 101 -3.420 46.773 -29.454 1.00 51.13 N ATOM 1538 CA SER A 101 -3.352 46.309 -30.835 1.00 31.31 C ATOM 1539 C SER A 101 -2.267 45.249 -30.999 1.00 4.22 C ATOM 1540 O SER A 101 -2.404 44.321 -31.797 1.00 30.13 O ATOM 1541 CB SER A 101 -3.081 47.483 -31.777 1.00 60.14 C ATOM 1542 OG SER A 101 -4.164 47.682 -32.669 1.00 73.21 O ATOM 0 H SER A 101 -2.752 46.327 -28.826 1.00 51.13 H new ATOM 0 HA SER A 101 -4.313 45.863 -31.090 1.00 31.31 H new ATOM 0 HB2 SER A 101 -2.914 48.389 -31.195 1.00 60.14 H new ATOM 0 HB3 SER A 101 -2.169 47.296 -32.344 1.00 60.14 H new ATOM 0 HG SER A 101 -4.956 47.963 -32.165 1.00 73.21 H new ATOM 1548 N LEU A 102 -1.187 45.395 -30.238 1.00 73.42 N ATOM 1549 CA LEU A 102 -0.077 44.451 -30.298 1.00 25.24 C ATOM 1550 C LEU A 102 -0.419 43.159 -29.562 1.00 13.42 C ATOM 1551 O LEU A 102 0.206 42.823 -28.557 1.00 33.25 O ATOM 1552 CB LEU A 102 1.183 45.076 -29.695 1.00 14.14 C ATOM 1553 CG LEU A 102 1.655 46.382 -30.334 1.00 5.23 C ATOM 1554 CD1 LEU A 102 2.942 46.862 -29.679 1.00 71.53 C ATOM 1555 CD2 LEU A 102 1.852 46.202 -31.832 1.00 10.31 C ATOM 0 H LEU A 102 -1.057 46.157 -29.573 1.00 73.42 H new ATOM 0 HA LEU A 102 0.108 44.213 -31.345 1.00 25.24 H new ATOM 0 HB2 LEU A 102 1.003 45.257 -28.635 1.00 14.14 H new ATOM 0 HB3 LEU A 102 1.992 44.349 -29.761 1.00 14.14 H new ATOM 0 HG LEU A 102 0.887 47.139 -30.177 1.00 5.23 H new ATOM 0 HD11 LEU A 102 3.263 47.793 -30.147 1.00 71.53 H new ATOM 0 HD12 LEU A 102 2.768 47.031 -28.616 1.00 71.53 H new ATOM 0 HD13 LEU A 102 3.718 46.107 -29.804 1.00 71.53 H new ATOM 0 HD21 LEU A 102 2.188 47.142 -32.270 1.00 10.31 H new ATOM 0 HD22 LEU A 102 2.601 45.430 -32.010 1.00 10.31 H new ATOM 0 HD23 LEU A 102 0.909 45.905 -32.290 1.00 10.31 H new ATOM 1567 N GLN A 103 -1.414 42.440 -30.071 1.00 51.23 N ATOM 1568 CA GLN A 103 -1.838 41.185 -29.463 1.00 32.12 C ATOM 1569 C GLN A 103 -1.179 39.995 -30.153 1.00 1.31 C ATOM 1570 O GLN A 103 -0.548 39.162 -29.504 1.00 20.42 O ATOM 1571 CB GLN A 103 -3.360 41.050 -29.530 1.00 73.54 C ATOM 1572 CG GLN A 103 -3.903 39.878 -28.728 1.00 71.25 C ATOM 1573 CD GLN A 103 -5.359 39.585 -29.035 1.00 64.13 C ATOM 1574 OE1 GLN A 103 -6.162 40.499 -29.221 1.00 11.31 O ATOM 1575 NE2 GLN A 103 -5.706 38.304 -29.091 1.00 12.55 N ATOM 0 H GLN A 103 -1.941 42.705 -30.903 1.00 51.23 H new ATOM 0 HA GLN A 103 -1.527 41.193 -28.418 1.00 32.12 H new ATOM 0 HB2 GLN A 103 -3.814 41.971 -29.165 1.00 73.54 H new ATOM 0 HB3 GLN A 103 -3.661 40.937 -30.572 1.00 73.54 H new ATOM 0 HG2 GLN A 103 -3.306 38.991 -28.938 1.00 71.25 H new ATOM 0 HG3 GLN A 103 -3.795 40.090 -27.664 1.00 71.25 H new ATOM 0 HE21 GLN A 103 -5.007 37.579 -28.930 1.00 12.55 H new ATOM 0 HE22 GLN A 103 -6.671 38.046 -29.295 1.00 12.55 H new ATOM 1584 N GLN A 104 -1.330 39.924 -31.471 1.00 52.04 N ATOM 1585 CA GLN A 104 -0.750 38.835 -32.249 1.00 1.34 C ATOM 1586 C GLN A 104 0.730 38.662 -31.922 1.00 52.15 C ATOM 1587 O GLN A 104 1.241 37.543 -31.892 1.00 12.13 O ATOM 1588 CB GLN A 104 -0.927 39.098 -33.745 1.00 71.01 C ATOM 1589 CG GLN A 104 -2.381 39.162 -34.184 1.00 13.14 C ATOM 1590 CD GLN A 104 -2.553 38.928 -35.672 1.00 10.45 C ATOM 1591 OE1 GLN A 104 -3.097 37.907 -36.093 1.00 13.35 O ATOM 1592 NE2 GLN A 104 -2.089 39.876 -36.477 1.00 43.24 N ATOM 0 H GLN A 104 -1.849 40.607 -32.023 1.00 52.04 H new ATOM 0 HA GLN A 104 -1.272 37.915 -31.986 1.00 1.34 H new ATOM 0 HB2 GLN A 104 -0.437 40.038 -34.001 1.00 71.01 H new ATOM 0 HB3 GLN A 104 -0.421 38.312 -34.306 1.00 71.01 H new ATOM 0 HG2 GLN A 104 -2.956 38.417 -33.634 1.00 13.14 H new ATOM 0 HG3 GLN A 104 -2.792 40.137 -33.924 1.00 13.14 H new ATOM 0 HE21 GLN A 104 -1.645 40.706 -36.084 1.00 43.24 H new ATOM 0 HE22 GLN A 104 -2.177 39.774 -37.488 1.00 43.24 H new ATOM 1601 N GLU A 105 1.412 39.777 -31.680 1.00 51.12 N ATOM 1602 CA GLU A 105 2.834 39.747 -31.358 1.00 13.24 C ATOM 1603 C GLU A 105 3.112 38.776 -30.214 1.00 13.24 C ATOM 1604 O GLU A 105 3.855 37.808 -30.374 1.00 23.04 O ATOM 1605 CB GLU A 105 3.324 41.147 -30.983 1.00 51.42 C ATOM 1606 CG GLU A 105 4.836 41.254 -30.876 1.00 12.44 C ATOM 1607 CD GLU A 105 5.418 42.277 -31.832 1.00 52.01 C ATOM 1608 OE1 GLU A 105 5.540 41.963 -33.034 1.00 45.34 O ATOM 1609 OE2 GLU A 105 5.750 43.392 -31.377 1.00 63.25 O ATOM 0 H GLU A 105 1.003 40.711 -31.701 1.00 51.12 H new ATOM 0 HA GLU A 105 3.373 39.405 -32.241 1.00 13.24 H new ATOM 0 HB2 GLU A 105 2.970 41.859 -31.729 1.00 51.42 H new ATOM 0 HB3 GLU A 105 2.879 41.435 -30.031 1.00 51.42 H new ATOM 0 HG2 GLU A 105 5.106 41.522 -29.855 1.00 12.44 H new ATOM 0 HG3 GLU A 105 5.281 40.279 -31.078 1.00 12.44 H new ATOM 1616 N TYR A 106 2.510 39.043 -29.060 1.00 32.11 N ATOM 1617 CA TYR A 106 2.694 38.195 -27.888 1.00 2.52 C ATOM 1618 C TYR A 106 2.393 36.737 -28.217 1.00 73.34 C ATOM 1619 O TYR A 106 2.999 35.823 -27.658 1.00 32.24 O ATOM 1620 CB TYR A 106 1.795 38.668 -26.744 1.00 50.03 C ATOM 1621 CG TYR A 106 1.587 37.627 -25.668 1.00 21.14 C ATOM 1622 CD1 TYR A 106 2.539 37.425 -24.676 1.00 3.41 C ATOM 1623 CD2 TYR A 106 0.439 36.844 -25.642 1.00 45.35 C ATOM 1624 CE1 TYR A 106 2.354 36.475 -23.691 1.00 22.05 C ATOM 1625 CE2 TYR A 106 0.245 35.893 -24.660 1.00 63.32 C ATOM 1626 CZ TYR A 106 1.205 35.712 -23.687 1.00 25.53 C ATOM 1627 OH TYR A 106 1.016 34.764 -22.707 1.00 64.43 O ATOM 0 H TYR A 106 1.891 39.840 -28.911 1.00 32.11 H new ATOM 0 HA TYR A 106 3.736 38.270 -27.577 1.00 2.52 H new ATOM 0 HB2 TYR A 106 2.231 39.560 -26.295 1.00 50.03 H new ATOM 0 HB3 TYR A 106 0.826 38.957 -27.150 1.00 50.03 H new ATOM 0 HD1 TYR A 106 3.439 38.021 -24.675 1.00 3.41 H new ATOM 0 HD2 TYR A 106 -0.315 36.982 -26.403 1.00 45.35 H new ATOM 0 HE1 TYR A 106 3.105 36.330 -22.928 1.00 22.05 H new ATOM 0 HE2 TYR A 106 -0.654 35.294 -24.654 1.00 63.32 H new ATOM 0 HH TYR A 106 0.156 34.315 -22.848 1.00 64.43 H new ATOM 1637 N LYS A 107 1.451 36.526 -29.131 1.00 65.12 N ATOM 1638 CA LYS A 107 1.068 35.180 -29.539 1.00 64.52 C ATOM 1639 C LYS A 107 2.245 34.450 -30.181 1.00 15.13 C ATOM 1640 O LYS A 107 2.529 33.299 -29.851 1.00 23.35 O ATOM 1641 CB LYS A 107 -0.106 35.236 -30.519 1.00 30.02 C ATOM 1642 CG LYS A 107 -0.877 33.931 -30.619 1.00 54.44 C ATOM 1643 CD LYS A 107 -0.911 33.412 -32.047 1.00 52.31 C ATOM 1644 CE LYS A 107 -1.703 34.338 -32.958 1.00 34.31 C ATOM 1645 NZ LYS A 107 -0.993 34.594 -34.242 1.00 33.34 N ATOM 0 H LYS A 107 0.939 37.271 -29.603 1.00 65.12 H new ATOM 0 HA LYS A 107 0.764 34.630 -28.648 1.00 64.52 H new ATOM 0 HB2 LYS A 107 -0.788 36.029 -30.211 1.00 30.02 H new ATOM 0 HB3 LYS A 107 0.269 35.504 -31.507 1.00 30.02 H new ATOM 0 HG2 LYS A 107 -0.417 33.185 -29.971 1.00 54.44 H new ATOM 0 HG3 LYS A 107 -1.896 34.081 -30.261 1.00 54.44 H new ATOM 0 HD2 LYS A 107 0.107 33.313 -32.424 1.00 52.31 H new ATOM 0 HD3 LYS A 107 -1.355 32.417 -32.063 1.00 52.31 H new ATOM 0 HE2 LYS A 107 -2.678 33.897 -33.164 1.00 34.31 H new ATOM 0 HE3 LYS A 107 -1.882 35.284 -32.447 1.00 34.31 H new ATOM 0 HZ1 LYS A 107 -1.565 35.229 -34.834 1.00 33.34 H new ATOM 0 HZ2 LYS A 107 -0.073 35.038 -34.047 1.00 33.34 H new ATOM 0 HZ3 LYS A 107 -0.845 33.694 -34.742 1.00 33.34 H new ATOM 1659 N LYS A 108 2.926 35.128 -31.098 1.00 73.24 N ATOM 1660 CA LYS A 108 4.073 34.546 -31.785 1.00 1.23 C ATOM 1661 C LYS A 108 5.195 34.234 -30.800 1.00 5.30 C ATOM 1662 O LYS A 108 5.710 33.117 -30.766 1.00 60.11 O ATOM 1663 CB LYS A 108 4.582 35.499 -32.869 1.00 33.00 C ATOM 1664 CG LYS A 108 4.668 34.863 -34.246 1.00 10.23 C ATOM 1665 CD LYS A 108 6.059 34.317 -34.522 1.00 12.15 C ATOM 1666 CE LYS A 108 6.427 34.446 -35.992 1.00 34.52 C ATOM 1667 NZ LYS A 108 6.771 35.848 -36.357 1.00 23.51 N ATOM 0 H LYS A 108 2.704 36.082 -31.383 1.00 73.24 H new ATOM 0 HA LYS A 108 3.752 33.614 -32.251 1.00 1.23 H new ATOM 0 HB2 LYS A 108 3.922 36.365 -32.919 1.00 33.00 H new ATOM 0 HB3 LYS A 108 5.568 35.866 -32.585 1.00 33.00 H new ATOM 0 HG2 LYS A 108 3.938 34.057 -34.322 1.00 10.23 H new ATOM 0 HG3 LYS A 108 4.408 35.601 -35.005 1.00 10.23 H new ATOM 0 HD2 LYS A 108 6.788 34.853 -33.915 1.00 12.15 H new ATOM 0 HD3 LYS A 108 6.105 33.269 -34.225 1.00 12.15 H new ATOM 0 HE2 LYS A 108 7.273 33.795 -36.213 1.00 34.52 H new ATOM 0 HE3 LYS A 108 5.594 34.105 -36.606 1.00 34.52 H new ATOM 0 HZ1 LYS A 108 6.571 36.003 -37.366 1.00 23.51 H new ATOM 0 HZ2 LYS A 108 6.202 36.505 -35.786 1.00 23.51 H new ATOM 0 HZ3 LYS A 108 7.781 36.017 -36.174 1.00 23.51 H new ATOM 1681 N GLN A 109 5.568 35.228 -30.000 1.00 43.44 N ATOM 1682 CA GLN A 109 6.629 35.058 -29.015 1.00 2.33 C ATOM 1683 C GLN A 109 6.275 33.959 -28.018 1.00 43.32 C ATOM 1684 O GLN A 109 7.087 33.078 -27.738 1.00 32.40 O ATOM 1685 CB GLN A 109 6.882 36.373 -28.274 1.00 74.31 C ATOM 1686 CG GLN A 109 7.187 37.542 -29.196 1.00 65.35 C ATOM 1687 CD GLN A 109 8.315 37.242 -30.164 1.00 43.01 C ATOM 1688 OE1 GLN A 109 9.449 36.988 -29.755 1.00 74.21 O ATOM 1689 NE2 GLN A 109 8.010 37.270 -31.456 1.00 43.12 N ATOM 0 H GLN A 109 5.151 36.159 -30.015 1.00 43.44 H new ATOM 0 HA GLN A 109 7.537 34.766 -29.543 1.00 2.33 H new ATOM 0 HB2 GLN A 109 6.006 36.615 -27.672 1.00 74.31 H new ATOM 0 HB3 GLN A 109 7.716 36.237 -27.585 1.00 74.31 H new ATOM 0 HG2 GLN A 109 6.290 37.800 -29.758 1.00 65.35 H new ATOM 0 HG3 GLN A 109 7.450 38.414 -28.597 1.00 65.35 H new ATOM 0 HE21 GLN A 109 7.057 37.485 -31.751 1.00 43.12 H new ATOM 0 HE22 GLN A 109 8.728 37.076 -32.154 1.00 43.12 H new ATOM 1698 N MET A 110 5.059 34.019 -27.486 1.00 51.11 N ATOM 1699 CA MET A 110 4.598 33.028 -26.521 1.00 72.20 C ATOM 1700 C MET A 110 4.571 31.635 -27.143 1.00 10.22 C ATOM 1701 O MET A 110 5.124 30.685 -26.587 1.00 45.42 O ATOM 1702 CB MET A 110 3.205 33.396 -26.006 1.00 22.15 C ATOM 1703 CG MET A 110 2.826 32.683 -24.717 1.00 41.35 C ATOM 1704 SD MET A 110 1.283 31.762 -24.862 1.00 21.32 S ATOM 1705 CE MET A 110 1.884 30.190 -25.476 1.00 34.01 C ATOM 0 H MET A 110 4.375 34.743 -27.707 1.00 51.11 H new ATOM 0 HA MET A 110 5.297 33.020 -25.684 1.00 72.20 H new ATOM 0 HB2 MET A 110 3.159 34.473 -25.843 1.00 22.15 H new ATOM 0 HB3 MET A 110 2.468 33.158 -26.773 1.00 22.15 H new ATOM 0 HG2 MET A 110 3.627 32.000 -24.435 1.00 41.35 H new ATOM 0 HG3 MET A 110 2.734 33.415 -23.915 1.00 41.35 H new ATOM 0 HE1 MET A 110 1.501 30.022 -26.482 1.00 34.01 H new ATOM 0 HE2 MET A 110 2.974 30.201 -25.500 1.00 34.01 H new ATOM 0 HE3 MET A 110 1.544 29.389 -24.820 1.00 34.01 H new ATOM 1715 N LEU A 111 3.924 31.520 -28.298 1.00 4.25 N ATOM 1716 CA LEU A 111 3.825 30.243 -28.995 1.00 63.20 C ATOM 1717 C LEU A 111 5.201 29.607 -29.166 1.00 4.33 C ATOM 1718 O LEU A 111 5.370 28.403 -28.971 1.00 3.12 O ATOM 1719 CB LEU A 111 3.167 30.436 -30.362 1.00 71.52 C ATOM 1720 CG LEU A 111 2.778 29.157 -31.106 1.00 14.41 C ATOM 1721 CD1 LEU A 111 1.265 29.042 -31.213 1.00 20.32 C ATOM 1722 CD2 LEU A 111 3.415 29.129 -32.487 1.00 64.13 C ATOM 0 H LEU A 111 3.460 32.296 -28.771 1.00 4.25 H new ATOM 0 HA LEU A 111 3.209 29.575 -28.392 1.00 63.20 H new ATOM 0 HB2 LEU A 111 2.271 31.042 -30.229 1.00 71.52 H new ATOM 0 HB3 LEU A 111 3.848 31.007 -30.993 1.00 71.52 H new ATOM 0 HG LEU A 111 3.148 28.303 -30.540 1.00 14.41 H new ATOM 0 HD11 LEU A 111 1.006 28.126 -31.745 1.00 20.32 H new ATOM 0 HD12 LEU A 111 0.831 29.016 -30.214 1.00 20.32 H new ATOM 0 HD13 LEU A 111 0.872 29.901 -31.757 1.00 20.32 H new ATOM 0 HD21 LEU A 111 3.127 28.212 -33.002 1.00 64.13 H new ATOM 0 HD22 LEU A 111 3.075 29.990 -33.062 1.00 64.13 H new ATOM 0 HD23 LEU A 111 4.500 29.165 -32.388 1.00 64.13 H new ATOM 1734 N THR A 112 6.185 30.425 -29.529 1.00 55.30 N ATOM 1735 CA THR A 112 7.546 29.944 -29.725 1.00 2.12 C ATOM 1736 C THR A 112 8.059 29.225 -28.483 1.00 30.35 C ATOM 1737 O THR A 112 8.437 28.055 -28.543 1.00 35.03 O ATOM 1738 CB THR A 112 8.506 31.099 -30.068 1.00 61.34 C ATOM 1739 OG1 THR A 112 8.100 31.727 -31.289 1.00 73.34 O ATOM 1740 CG2 THR A 112 9.934 30.593 -30.203 1.00 45.02 C ATOM 0 H THR A 112 6.064 31.424 -29.693 1.00 55.30 H new ATOM 0 HA THR A 112 7.517 29.245 -30.561 1.00 2.12 H new ATOM 0 HB THR A 112 8.470 31.826 -29.256 1.00 61.34 H new ATOM 0 HG1 THR A 112 7.266 32.220 -31.142 1.00 73.34 H new ATOM 0 HG21 THR A 112 10.594 31.426 -30.445 1.00 45.02 H new ATOM 0 HG22 THR A 112 10.250 30.141 -29.263 1.00 45.02 H new ATOM 0 HG23 THR A 112 9.983 29.849 -30.998 1.00 45.02 H new ATOM 1748 N ALA A 113 8.069 29.931 -27.357 1.00 41.30 N ATOM 1749 CA ALA A 113 8.533 29.359 -26.100 1.00 21.54 C ATOM 1750 C ALA A 113 7.683 28.159 -25.696 1.00 34.03 C ATOM 1751 O ALA A 113 8.204 27.074 -25.439 1.00 44.42 O ATOM 1752 CB ALA A 113 8.518 30.412 -25.002 1.00 53.31 C ATOM 0 H ALA A 113 7.761 30.901 -27.290 1.00 41.30 H new ATOM 0 HA ALA A 113 9.557 29.015 -26.243 1.00 21.54 H new ATOM 0 HB1 ALA A 113 8.867 29.970 -24.069 1.00 53.31 H new ATOM 0 HB2 ALA A 113 9.174 31.237 -25.280 1.00 53.31 H new ATOM 0 HB3 ALA A 113 7.502 30.785 -24.869 1.00 53.31 H new ATOM 1758 N ALA A 114 6.370 28.362 -25.641 1.00 23.43 N ATOM 1759 CA ALA A 114 5.448 27.296 -25.269 1.00 53.12 C ATOM 1760 C ALA A 114 5.678 26.050 -26.117 1.00 65.30 C ATOM 1761 O ALA A 114 5.484 24.926 -25.653 1.00 31.14 O ATOM 1762 CB ALA A 114 4.009 27.772 -25.407 1.00 70.43 C ATOM 0 H ALA A 114 5.922 29.254 -25.849 1.00 23.43 H new ATOM 0 HA ALA A 114 5.635 27.034 -24.228 1.00 53.12 H new ATOM 0 HB1 ALA A 114 3.331 26.966 -25.126 1.00 70.43 H new ATOM 0 HB2 ALA A 114 3.845 28.629 -24.754 1.00 70.43 H new ATOM 0 HB3 ALA A 114 3.819 28.062 -26.440 1.00 70.43 H new ATOM 1768 N HIS A 115 6.094 26.256 -27.363 1.00 33.41 N ATOM 1769 CA HIS A 115 6.351 25.148 -28.276 1.00 31.40 C ATOM 1770 C HIS A 115 7.492 24.274 -27.763 1.00 13.24 C ATOM 1771 O HIS A 115 7.308 23.085 -27.506 1.00 64.41 O ATOM 1772 CB HIS A 115 6.686 25.676 -29.671 1.00 73.11 C ATOM 1773 CG HIS A 115 6.725 24.609 -30.722 1.00 0.40 C ATOM 1774 ND1 HIS A 115 7.316 24.789 -31.955 1.00 22.03 N ATOM 1775 CD2 HIS A 115 6.243 23.344 -30.718 1.00 4.40 C ATOM 1776 CE1 HIS A 115 7.195 23.681 -32.664 1.00 40.22 C ATOM 1777 NE2 HIS A 115 6.548 22.789 -31.936 1.00 61.12 N ATOM 0 H HIS A 115 6.260 27.179 -27.763 1.00 33.41 H new ATOM 0 HA HIS A 115 5.448 24.540 -28.333 1.00 31.40 H new ATOM 0 HB2 HIS A 115 5.947 26.426 -29.954 1.00 73.11 H new ATOM 0 HB3 HIS A 115 7.653 26.178 -29.638 1.00 73.11 H new ATOM 0 HD1 HIS A 115 7.775 25.644 -32.270 1.00 22.03 H new ATOM 0 HD2 HIS A 115 5.717 22.861 -29.908 1.00 4.40 H new ATOM 0 HE1 HIS A 115 7.563 23.530 -33.668 1.00 40.22 H new ATOM 1785 N ALA A 116 8.669 24.873 -27.616 1.00 21.11 N ATOM 1786 CA ALA A 116 9.839 24.150 -27.132 1.00 73.03 C ATOM 1787 C ALA A 116 9.653 23.711 -25.684 1.00 35.30 C ATOM 1788 O ALA A 116 10.304 22.774 -25.220 1.00 33.31 O ATOM 1789 CB ALA A 116 11.085 25.012 -27.268 1.00 63.34 C ATOM 0 H ALA A 116 8.838 25.857 -27.825 1.00 21.11 H new ATOM 0 HA ALA A 116 9.961 23.255 -27.742 1.00 73.03 H new ATOM 0 HB1 ALA A 116 11.951 24.460 -26.903 1.00 63.34 H new ATOM 0 HB2 ALA A 116 11.235 25.271 -28.316 1.00 63.34 H new ATOM 0 HB3 ALA A 116 10.963 25.923 -26.683 1.00 63.34 H new ATOM 1795 N LEU A 117 8.761 24.393 -24.974 1.00 32.21 N ATOM 1796 CA LEU A 117 8.489 24.073 -23.577 1.00 2.24 C ATOM 1797 C LEU A 117 7.807 22.715 -23.452 1.00 21.45 C ATOM 1798 O LEU A 117 8.287 21.831 -22.742 1.00 12.22 O ATOM 1799 CB LEU A 117 7.613 25.157 -22.946 1.00 74.32 C ATOM 1800 CG LEU A 117 7.703 25.293 -21.426 1.00 4.11 C ATOM 1801 CD1 LEU A 117 7.152 24.050 -20.745 1.00 13.54 C ATOM 1802 CD2 LEU A 117 9.142 25.544 -20.998 1.00 10.11 C ATOM 0 H LEU A 117 8.214 25.171 -25.343 1.00 32.21 H new ATOM 0 HA LEU A 117 9.441 24.030 -23.048 1.00 2.24 H new ATOM 0 HB2 LEU A 117 7.878 26.115 -23.393 1.00 74.32 H new ATOM 0 HB3 LEU A 117 6.575 24.957 -23.212 1.00 74.32 H new ATOM 0 HG LEU A 117 7.099 26.147 -21.120 1.00 4.11 H new ATOM 0 HD11 LEU A 117 7.224 24.165 -19.664 1.00 13.54 H new ATOM 0 HD12 LEU A 117 6.108 23.914 -21.026 1.00 13.54 H new ATOM 0 HD13 LEU A 117 7.728 23.179 -21.056 1.00 13.54 H new ATOM 0 HD21 LEU A 117 9.188 25.638 -19.913 1.00 10.11 H new ATOM 0 HD22 LEU A 117 9.767 24.710 -21.316 1.00 10.11 H new ATOM 0 HD23 LEU A 117 9.503 26.464 -21.458 1.00 10.11 H new ATOM 1814 N ALA A 118 6.686 22.555 -24.148 1.00 23.34 N ATOM 1815 CA ALA A 118 5.941 21.303 -24.118 1.00 34.42 C ATOM 1816 C ALA A 118 6.824 20.128 -24.525 1.00 74.00 C ATOM 1817 O ALA A 118 6.942 19.145 -23.794 1.00 22.41 O ATOM 1818 CB ALA A 118 4.724 21.391 -25.027 1.00 40.12 C ATOM 0 H ALA A 118 6.274 23.277 -24.739 1.00 23.34 H new ATOM 0 HA ALA A 118 5.605 21.134 -23.095 1.00 34.42 H new ATOM 0 HB1 ALA A 118 4.177 20.449 -24.995 1.00 40.12 H new ATOM 0 HB2 ALA A 118 4.075 22.199 -24.689 1.00 40.12 H new ATOM 0 HB3 ALA A 118 5.047 21.588 -26.049 1.00 40.12 H new ATOM 1824 N VAL A 119 7.441 20.236 -25.697 1.00 44.41 N ATOM 1825 CA VAL A 119 8.314 19.183 -26.202 1.00 2.05 C ATOM 1826 C VAL A 119 9.422 18.863 -25.204 1.00 62.15 C ATOM 1827 O VAL A 119 9.854 17.716 -25.088 1.00 30.13 O ATOM 1828 CB VAL A 119 8.949 19.577 -27.548 1.00 52.15 C ATOM 1829 CG1 VAL A 119 9.939 20.716 -27.359 1.00 42.04 C ATOM 1830 CG2 VAL A 119 9.623 18.375 -28.191 1.00 61.54 C ATOM 0 H VAL A 119 7.352 21.043 -26.315 1.00 44.41 H new ATOM 0 HA VAL A 119 7.693 18.299 -26.347 1.00 2.05 H new ATOM 0 HB VAL A 119 8.159 19.922 -28.215 1.00 52.15 H new ATOM 0 HG11 VAL A 119 10.377 20.980 -28.321 1.00 42.04 H new ATOM 0 HG12 VAL A 119 9.423 21.582 -26.945 1.00 42.04 H new ATOM 0 HG13 VAL A 119 10.728 20.403 -26.675 1.00 42.04 H new ATOM 0 HG21 VAL A 119 10.066 18.672 -29.141 1.00 61.54 H new ATOM 0 HG22 VAL A 119 10.402 17.998 -27.529 1.00 61.54 H new ATOM 0 HG23 VAL A 119 8.884 17.593 -28.364 1.00 61.54 H new ATOM 1840 N ASP A 120 9.878 19.884 -24.487 1.00 71.12 N ATOM 1841 CA ASP A 120 10.935 19.712 -23.498 1.00 23.32 C ATOM 1842 C ASP A 120 10.526 18.696 -22.436 1.00 73.30 C ATOM 1843 O ASP A 120 11.189 17.676 -22.250 1.00 4.34 O ATOM 1844 CB ASP A 120 11.269 21.051 -22.838 1.00 61.33 C ATOM 1845 CG ASP A 120 12.655 21.545 -23.201 1.00 45.24 C ATOM 1846 OD1 ASP A 120 13.036 21.428 -24.385 1.00 32.51 O ATOM 1847 OD2 ASP A 120 13.361 22.049 -22.302 1.00 15.20 O ATOM 0 H ASP A 120 9.532 20.840 -24.572 1.00 71.12 H new ATOM 0 HA ASP A 120 11.821 19.338 -24.011 1.00 23.32 H new ATOM 0 HB2 ASP A 120 10.531 21.795 -23.138 1.00 61.33 H new ATOM 0 HB3 ASP A 120 11.195 20.948 -21.755 1.00 61.33 H new ATOM 1852 N ALA A 121 9.429 18.982 -21.742 1.00 40.12 N ATOM 1853 CA ALA A 121 8.931 18.093 -20.700 1.00 14.31 C ATOM 1854 C ALA A 121 8.798 16.664 -21.214 1.00 60.04 C ATOM 1855 O ALA A 121 8.980 15.704 -20.465 1.00 73.14 O ATOM 1856 CB ALA A 121 7.593 18.594 -20.175 1.00 20.51 C ATOM 0 H ALA A 121 8.868 19.822 -21.883 1.00 40.12 H new ATOM 0 HA ALA A 121 9.653 18.091 -19.883 1.00 14.31 H new ATOM 0 HB1 ALA A 121 7.232 17.921 -19.397 1.00 20.51 H new ATOM 0 HB2 ALA A 121 7.716 19.595 -19.760 1.00 20.51 H new ATOM 0 HB3 ALA A 121 6.871 18.626 -20.991 1.00 20.51 H new ATOM 1862 N LYS A 122 8.479 16.529 -22.497 1.00 45.13 N ATOM 1863 CA LYS A 122 8.323 15.217 -23.113 1.00 73.14 C ATOM 1864 C LYS A 122 9.679 14.555 -23.336 1.00 52.04 C ATOM 1865 O LYS A 122 9.920 13.441 -22.873 1.00 53.13 O ATOM 1866 CB LYS A 122 7.579 15.342 -24.445 1.00 70.51 C ATOM 1867 CG LYS A 122 7.307 14.007 -25.117 1.00 31.21 C ATOM 1868 CD LYS A 122 8.457 13.592 -26.019 1.00 70.21 C ATOM 1869 CE LYS A 122 8.031 12.515 -27.006 1.00 1.33 C ATOM 1870 NZ LYS A 122 7.471 13.099 -28.256 1.00 43.00 N ATOM 0 H LYS A 122 8.323 17.313 -23.131 1.00 45.13 H new ATOM 0 HA LYS A 122 7.741 14.592 -22.435 1.00 73.14 H new ATOM 0 HB2 LYS A 122 6.632 15.854 -24.276 1.00 70.51 H new ATOM 0 HB3 LYS A 122 8.163 15.967 -25.121 1.00 70.51 H new ATOM 0 HG2 LYS A 122 7.145 13.242 -24.357 1.00 31.21 H new ATOM 0 HG3 LYS A 122 6.390 14.074 -25.702 1.00 31.21 H new ATOM 0 HD2 LYS A 122 8.825 14.461 -26.564 1.00 70.21 H new ATOM 0 HD3 LYS A 122 9.283 13.223 -25.411 1.00 70.21 H new ATOM 0 HE2 LYS A 122 8.888 11.887 -27.251 1.00 1.33 H new ATOM 0 HE3 LYS A 122 7.286 11.870 -26.541 1.00 1.33 H new ATOM 0 HZ1 LYS A 122 7.382 12.355 -28.977 1.00 43.00 H new ATOM 0 HZ2 LYS A 122 6.534 13.505 -28.060 1.00 43.00 H new ATOM 0 HZ3 LYS A 122 8.105 13.846 -28.605 1.00 43.00 H new ATOM 1884 N ASN A 123 10.561 15.249 -24.047 1.00 43.35 N ATOM 1885 CA ASN A 123 11.894 14.729 -24.331 1.00 32.43 C ATOM 1886 C ASN A 123 12.592 14.292 -23.046 1.00 74.11 C ATOM 1887 O ASN A 123 13.427 13.387 -23.057 1.00 43.12 O ATOM 1888 CB ASN A 123 12.736 15.786 -25.047 1.00 53.24 C ATOM 1889 CG ASN A 123 14.210 15.431 -25.074 1.00 52.21 C ATOM 1890 OD1 ASN A 123 14.641 14.582 -25.854 1.00 21.32 O ATOM 1891 ND2 ASN A 123 14.990 16.082 -24.219 1.00 65.04 N ATOM 0 H ASN A 123 10.377 16.173 -24.437 1.00 43.35 H new ATOM 0 HA ASN A 123 11.787 13.860 -24.980 1.00 32.43 H new ATOM 0 HB2 ASN A 123 12.375 15.903 -26.069 1.00 53.24 H new ATOM 0 HB3 ASN A 123 12.606 16.748 -24.551 1.00 53.24 H new ATOM 0 HD21 ASN A 123 15.991 15.886 -24.191 1.00 65.04 H new ATOM 0 HD22 ASN A 123 14.589 16.778 -23.591 1.00 65.04 H new ATOM 1898 N LEU A 124 12.243 14.940 -21.940 1.00 52.23 N ATOM 1899 CA LEU A 124 12.835 14.619 -20.646 1.00 74.02 C ATOM 1900 C LEU A 124 12.717 13.128 -20.349 1.00 22.51 C ATOM 1901 O LEU A 124 13.719 12.448 -20.124 1.00 23.51 O ATOM 1902 CB LEU A 124 12.156 15.426 -19.538 1.00 51.54 C ATOM 1903 CG LEU A 124 12.943 16.622 -19.001 1.00 0.11 C ATOM 1904 CD1 LEU A 124 14.295 16.175 -18.467 1.00 31.21 C ATOM 1905 CD2 LEU A 124 13.118 17.676 -20.084 1.00 52.25 C ATOM 0 H LEU A 124 11.553 15.691 -21.913 1.00 52.23 H new ATOM 0 HA LEU A 124 13.892 14.882 -20.683 1.00 74.02 H new ATOM 0 HB2 LEU A 124 11.198 15.786 -19.913 1.00 51.54 H new ATOM 0 HB3 LEU A 124 11.941 14.755 -18.706 1.00 51.54 H new ATOM 0 HG LEU A 124 12.379 17.064 -18.180 1.00 0.11 H new ATOM 0 HD11 LEU A 124 14.841 17.040 -18.089 1.00 31.21 H new ATOM 0 HD12 LEU A 124 14.148 15.457 -17.660 1.00 31.21 H new ATOM 0 HD13 LEU A 124 14.866 15.707 -19.269 1.00 31.21 H new ATOM 0 HD21 LEU A 124 13.680 18.519 -19.683 1.00 52.25 H new ATOM 0 HD22 LEU A 124 13.660 17.246 -20.926 1.00 52.25 H new ATOM 0 HD23 LEU A 124 12.139 18.019 -20.419 1.00 52.25 H new ATOM 1917 N LEU A 125 11.488 12.624 -20.351 1.00 52.24 N ATOM 1918 CA LEU A 125 11.239 11.212 -20.084 1.00 72.22 C ATOM 1919 C LEU A 125 11.688 10.348 -21.258 1.00 63.02 C ATOM 1920 O LEU A 125 12.179 9.235 -21.071 1.00 24.35 O ATOM 1921 CB LEU A 125 9.753 10.980 -19.805 1.00 31.41 C ATOM 1922 CG LEU A 125 9.427 9.960 -18.713 1.00 75.01 C ATOM 1923 CD1 LEU A 125 8.491 10.567 -17.679 1.00 22.44 C ATOM 1924 CD2 LEU A 125 8.813 8.707 -19.320 1.00 34.20 C ATOM 0 H LEU A 125 10.648 13.173 -20.535 1.00 52.24 H new ATOM 0 HA LEU A 125 11.817 10.927 -19.205 1.00 72.22 H new ATOM 0 HB2 LEU A 125 9.302 11.934 -19.530 1.00 31.41 H new ATOM 0 HB3 LEU A 125 9.276 10.657 -20.730 1.00 31.41 H new ATOM 0 HG LEU A 125 10.355 9.681 -18.214 1.00 75.01 H new ATOM 0 HD11 LEU A 125 8.270 9.827 -16.910 1.00 22.44 H new ATOM 0 HD12 LEU A 125 8.967 11.434 -17.222 1.00 22.44 H new ATOM 0 HD13 LEU A 125 7.564 10.875 -18.163 1.00 22.44 H new ATOM 0 HD21 LEU A 125 8.587 7.992 -18.529 1.00 34.20 H new ATOM 0 HD22 LEU A 125 7.894 8.969 -19.845 1.00 34.20 H new ATOM 0 HD23 LEU A 125 9.517 8.260 -20.022 1.00 34.20 H new ATOM 1936 N ASP A 126 11.519 10.869 -22.468 1.00 51.23 N ATOM 1937 CA ASP A 126 11.910 10.147 -23.673 1.00 42.24 C ATOM 1938 C ASP A 126 13.395 9.800 -23.641 1.00 3.21 C ATOM 1939 O ASP A 126 13.790 8.683 -23.975 1.00 41.14 O ATOM 1940 CB ASP A 126 11.595 10.980 -24.917 1.00 64.33 C ATOM 1941 CG ASP A 126 10.484 10.375 -25.753 1.00 23.22 C ATOM 1942 OD1 ASP A 126 9.369 10.200 -25.219 1.00 40.51 O ATOM 1943 OD2 ASP A 126 10.730 10.075 -26.940 1.00 42.01 O ATOM 0 H ASP A 126 11.114 11.789 -22.641 1.00 51.23 H new ATOM 0 HA ASP A 126 11.339 9.219 -23.712 1.00 42.24 H new ATOM 0 HB2 ASP A 126 11.310 11.987 -24.614 1.00 64.33 H new ATOM 0 HB3 ASP A 126 12.494 11.073 -25.526 1.00 64.33 H new ATOM 1948 N VAL A 127 14.215 10.766 -23.237 1.00 32.32 N ATOM 1949 CA VAL A 127 15.657 10.563 -23.161 1.00 34.45 C ATOM 1950 C VAL A 127 16.009 9.512 -22.114 1.00 30.14 C ATOM 1951 O VAL A 127 16.594 8.476 -22.432 1.00 1.22 O ATOM 1952 CB VAL A 127 16.391 11.874 -22.823 1.00 70.13 C ATOM 1953 CG1 VAL A 127 17.880 11.621 -22.643 1.00 30.13 C ATOM 1954 CG2 VAL A 127 16.146 12.915 -23.905 1.00 60.34 C ATOM 0 H VAL A 127 13.905 11.697 -22.957 1.00 32.32 H new ATOM 0 HA VAL A 127 15.980 10.217 -24.143 1.00 34.45 H new ATOM 0 HB VAL A 127 15.996 12.260 -21.883 1.00 70.13 H new ATOM 0 HG11 VAL A 127 18.382 12.559 -22.405 1.00 30.13 H new ATOM 0 HG12 VAL A 127 18.033 10.911 -21.830 1.00 30.13 H new ATOM 0 HG13 VAL A 127 18.294 11.212 -23.565 1.00 30.13 H new ATOM 0 HG21 VAL A 127 16.672 13.835 -23.650 1.00 60.34 H new ATOM 0 HG22 VAL A 127 16.513 12.540 -24.860 1.00 60.34 H new ATOM 0 HG23 VAL A 127 15.078 13.117 -23.981 1.00 60.34 H new ATOM 1964 N ILE A 128 15.649 9.785 -20.864 1.00 53.43 N ATOM 1965 CA ILE A 128 15.925 8.863 -19.771 1.00 25.45 C ATOM 1966 C ILE A 128 15.379 7.472 -20.073 1.00 71.42 C ATOM 1967 O ILE A 128 15.861 6.474 -19.537 1.00 63.34 O ATOM 1968 CB ILE A 128 15.320 9.362 -18.445 1.00 44.54 C ATOM 1969 CG1 ILE A 128 13.793 9.298 -18.501 1.00 13.41 C ATOM 1970 CG2 ILE A 128 15.786 10.781 -18.152 1.00 62.22 C ATOM 1971 CD1 ILE A 128 13.121 9.794 -17.240 1.00 10.45 C ATOM 0 H ILE A 128 15.165 10.638 -20.584 1.00 53.43 H new ATOM 0 HA ILE A 128 17.009 8.812 -19.670 1.00 25.45 H new ATOM 0 HB ILE A 128 15.663 8.714 -17.639 1.00 44.54 H new ATOM 0 HG12 ILE A 128 13.443 9.890 -19.347 1.00 13.41 H new ATOM 0 HG13 ILE A 128 13.487 8.268 -18.685 1.00 13.41 H new ATOM 0 HG21 ILE A 128 15.350 11.120 -17.212 1.00 62.22 H new ATOM 0 HG22 ILE A 128 16.873 10.798 -18.075 1.00 62.22 H new ATOM 0 HG23 ILE A 128 15.469 11.442 -18.958 1.00 62.22 H new ATOM 0 HD11 ILE A 128 12.039 9.720 -17.351 1.00 10.45 H new ATOM 0 HD12 ILE A 128 13.442 9.186 -16.394 1.00 10.45 H new ATOM 0 HD13 ILE A 128 13.397 10.834 -17.065 1.00 10.45 H new ATOM 1983 N ASP A 129 14.371 7.413 -20.936 1.00 52.24 N ATOM 1984 CA ASP A 129 13.760 6.144 -21.314 1.00 32.14 C ATOM 1985 C ASP A 129 14.814 5.161 -21.814 1.00 34.23 C ATOM 1986 O ASP A 129 14.790 3.981 -21.464 1.00 42.12 O ATOM 1987 CB ASP A 129 12.698 6.365 -22.392 1.00 41.12 C ATOM 1988 CG ASP A 129 11.795 5.161 -22.571 1.00 71.31 C ATOM 1989 OD1 ASP A 129 12.318 4.063 -22.857 1.00 44.32 O ATOM 1990 OD2 ASP A 129 10.565 5.315 -22.424 1.00 54.32 O ATOM 0 H ASP A 129 13.959 8.230 -21.387 1.00 52.24 H new ATOM 0 HA ASP A 129 13.285 5.720 -20.429 1.00 32.14 H new ATOM 0 HB2 ASP A 129 12.093 7.233 -22.129 1.00 41.12 H new ATOM 0 HB3 ASP A 129 13.188 6.592 -23.339 1.00 41.12 H new ATOM 1995 N GLN A 130 15.735 5.655 -22.634 1.00 2.52 N ATOM 1996 CA GLN A 130 16.796 4.820 -23.183 1.00 61.51 C ATOM 1997 C GLN A 130 17.643 4.213 -22.069 1.00 41.02 C ATOM 1998 O GLN A 130 18.238 3.149 -22.238 1.00 32.02 O ATOM 1999 CB GLN A 130 17.681 5.636 -24.126 1.00 4.30 C ATOM 2000 CG GLN A 130 17.698 5.111 -25.552 1.00 52.25 C ATOM 2001 CD GLN A 130 17.188 6.128 -26.555 1.00 12.04 C ATOM 2002 OE1 GLN A 130 15.982 6.347 -26.675 1.00 41.31 O ATOM 2003 NE2 GLN A 130 18.105 6.756 -27.281 1.00 25.24 N ATOM 0 H GLN A 130 15.768 6.630 -22.933 1.00 2.52 H new ATOM 0 HA GLN A 130 16.331 4.009 -23.744 1.00 61.51 H new ATOM 0 HB2 GLN A 130 17.334 6.669 -24.132 1.00 4.30 H new ATOM 0 HB3 GLN A 130 18.700 5.644 -23.739 1.00 4.30 H new ATOM 0 HG2 GLN A 130 18.715 4.824 -25.817 1.00 52.25 H new ATOM 0 HG3 GLN A 130 17.087 4.210 -25.611 1.00 52.25 H new ATOM 0 HE21 GLN A 130 19.094 6.543 -27.149 1.00 25.24 H new ATOM 0 HE22 GLN A 130 17.821 7.451 -27.971 1.00 25.24 H new ATOM 2012 N ALA A 131 17.693 4.898 -20.931 1.00 63.42 N ATOM 2013 CA ALA A 131 18.466 4.425 -19.789 1.00 41.41 C ATOM 2014 C ALA A 131 17.752 3.281 -19.079 1.00 20.34 C ATOM 2015 O ALA A 131 18.378 2.300 -18.677 1.00 24.11 O ATOM 2016 CB ALA A 131 18.728 5.569 -18.820 1.00 64.12 C ATOM 0 H ALA A 131 17.208 5.782 -20.775 1.00 63.42 H new ATOM 0 HA ALA A 131 19.420 4.049 -20.158 1.00 41.41 H new ATOM 0 HB1 ALA A 131 19.306 5.202 -17.972 1.00 64.12 H new ATOM 0 HB2 ALA A 131 19.287 6.355 -19.328 1.00 64.12 H new ATOM 0 HB3 ALA A 131 17.779 5.970 -18.466 1.00 64.12 H new ATOM 2022 N ARG A 132 16.438 3.413 -18.926 1.00 64.32 N ATOM 2023 CA ARG A 132 15.640 2.390 -18.262 1.00 73.30 C ATOM 2024 C ARG A 132 15.819 1.035 -18.940 1.00 71.42 C ATOM 2025 O ARG A 132 15.994 0.013 -18.274 1.00 51.23 O ATOM 2026 CB ARG A 132 14.161 2.783 -18.268 1.00 4.25 C ATOM 2027 CG ARG A 132 13.424 2.397 -16.996 1.00 13.41 C ATOM 2028 CD ARG A 132 12.045 3.037 -16.935 1.00 45.15 C ATOM 2029 NE ARG A 132 10.994 2.050 -16.705 1.00 53.50 N ATOM 2030 CZ ARG A 132 10.525 1.242 -17.649 1.00 72.00 C ATOM 2031 NH1 ARG A 132 11.012 1.302 -18.880 1.00 44.55 N ATOM 2032 NH2 ARG A 132 9.567 0.370 -17.362 1.00 14.22 N ATOM 0 H ARG A 132 15.904 4.218 -19.253 1.00 64.32 H new ATOM 0 HA ARG A 132 15.984 2.309 -17.231 1.00 73.30 H new ATOM 0 HB2 ARG A 132 14.081 3.860 -18.412 1.00 4.25 H new ATOM 0 HB3 ARG A 132 13.671 2.310 -19.119 1.00 4.25 H new ATOM 0 HG2 ARG A 132 13.326 1.313 -16.946 1.00 13.41 H new ATOM 0 HG3 ARG A 132 14.008 2.704 -16.128 1.00 13.41 H new ATOM 0 HD2 ARG A 132 12.025 3.780 -16.138 1.00 45.15 H new ATOM 0 HD3 ARG A 132 11.849 3.565 -17.868 1.00 45.15 H new ATOM 0 HE ARG A 132 10.598 1.977 -15.768 1.00 53.50 H new ATOM 0 HH11 ARG A 132 11.749 1.970 -19.105 1.00 44.55 H new ATOM 0 HH12 ARG A 132 10.650 0.680 -19.603 1.00 44.55 H new ATOM 0 HH21 ARG A 132 9.190 0.320 -16.416 1.00 14.22 H new ATOM 0 HH22 ARG A 132 9.208 -0.250 -18.088 1.00 14.22 H new ATOM 2046 N LEU A 133 15.774 1.033 -20.268 1.00 33.12 N ATOM 2047 CA LEU A 133 15.931 -0.197 -21.037 1.00 54.31 C ATOM 2048 C LEU A 133 17.383 -0.663 -21.028 1.00 33.44 C ATOM 2049 O LEU A 133 17.662 -1.860 -21.099 1.00 62.34 O ATOM 2050 CB LEU A 133 15.461 0.016 -22.477 1.00 53.03 C ATOM 2051 CG LEU A 133 14.091 -0.566 -22.829 1.00 63.04 C ATOM 2052 CD1 LEU A 133 12.984 0.228 -22.154 1.00 41.11 C ATOM 2053 CD2 LEU A 133 13.892 -0.586 -24.338 1.00 2.21 C ATOM 0 H LEU A 133 15.630 1.869 -20.834 1.00 33.12 H new ATOM 0 HA LEU A 133 15.318 -0.969 -20.571 1.00 54.31 H new ATOM 0 HB2 LEU A 133 15.441 1.087 -22.677 1.00 53.03 H new ATOM 0 HB3 LEU A 133 16.202 -0.419 -23.148 1.00 53.03 H new ATOM 0 HG LEU A 133 14.049 -1.592 -22.463 1.00 63.04 H new ATOM 0 HD11 LEU A 133 12.017 -0.201 -22.416 1.00 41.11 H new ATOM 0 HD12 LEU A 133 13.117 0.190 -21.073 1.00 41.11 H new ATOM 0 HD13 LEU A 133 13.024 1.265 -22.488 1.00 41.11 H new ATOM 0 HD21 LEU A 133 12.912 -1.003 -24.570 1.00 2.21 H new ATOM 0 HD22 LEU A 133 13.955 0.430 -24.727 1.00 2.21 H new ATOM 0 HD23 LEU A 133 14.666 -1.200 -24.799 1.00 2.21 H new ATOM 2065 N LYS A 134 18.304 0.289 -20.936 1.00 43.34 N ATOM 2066 CA LYS A 134 19.728 -0.023 -20.914 1.00 4.25 C ATOM 2067 C LYS A 134 20.058 -0.979 -19.772 1.00 35.41 C ATOM 2068 O LYS A 134 20.883 -1.879 -19.923 1.00 21.53 O ATOM 2069 CB LYS A 134 20.550 1.260 -20.771 1.00 5.20 C ATOM 2070 CG LYS A 134 22.049 1.036 -20.871 1.00 4.33 C ATOM 2071 CD LYS A 134 22.814 2.348 -20.808 1.00 65.34 C ATOM 2072 CE LYS A 134 23.552 2.625 -22.109 1.00 52.24 C ATOM 2073 NZ LYS A 134 23.652 4.084 -22.390 1.00 2.33 N ATOM 0 H LYS A 134 18.090 1.284 -20.875 1.00 43.34 H new ATOM 0 HA LYS A 134 19.982 -0.508 -21.856 1.00 4.25 H new ATOM 0 HB2 LYS A 134 20.244 1.966 -21.544 1.00 5.20 H new ATOM 0 HB3 LYS A 134 20.323 1.722 -19.810 1.00 5.20 H new ATOM 0 HG2 LYS A 134 22.375 0.384 -20.061 1.00 4.33 H new ATOM 0 HG3 LYS A 134 22.280 0.524 -21.805 1.00 4.33 H new ATOM 0 HD2 LYS A 134 22.122 3.164 -20.600 1.00 65.34 H new ATOM 0 HD3 LYS A 134 23.527 2.316 -19.984 1.00 65.34 H new ATOM 0 HE2 LYS A 134 24.553 2.196 -22.057 1.00 52.24 H new ATOM 0 HE3 LYS A 134 23.035 2.131 -22.932 1.00 52.24 H new ATOM 0 HZ1 LYS A 134 24.161 4.231 -23.285 1.00 2.33 H new ATOM 0 HZ2 LYS A 134 22.697 4.489 -22.464 1.00 2.33 H new ATOM 0 HZ3 LYS A 134 24.167 4.552 -21.617 1.00 2.33 H new ATOM 2087 N MET A 135 19.405 -0.779 -18.631 1.00 45.04 N ATOM 2088 CA MET A 135 19.628 -1.626 -17.465 1.00 73.34 C ATOM 2089 C MET A 135 18.903 -2.960 -17.616 1.00 54.23 C ATOM 2090 O MET A 135 19.492 -4.023 -17.421 1.00 45.12 O ATOM 2091 CB MET A 135 19.155 -0.916 -16.195 1.00 64.51 C ATOM 2092 CG MET A 135 19.573 -1.621 -14.914 1.00 52.14 C ATOM 2093 SD MET A 135 19.129 -0.692 -13.434 1.00 52.13 S ATOM 2094 CE MET A 135 17.372 -0.461 -13.694 1.00 53.21 C ATOM 0 H MET A 135 18.718 -0.038 -18.490 1.00 45.04 H new ATOM 0 HA MET A 135 20.698 -1.821 -17.387 1.00 73.34 H new ATOM 0 HB2 MET A 135 19.551 0.100 -16.187 1.00 64.51 H new ATOM 0 HB3 MET A 135 18.068 -0.834 -16.217 1.00 64.51 H new ATOM 0 HG2 MET A 135 19.104 -2.604 -14.875 1.00 52.14 H new ATOM 0 HG3 MET A 135 20.651 -1.782 -14.928 1.00 52.14 H new ATOM 0 HE1 MET A 135 16.870 -0.374 -12.730 1.00 53.21 H new ATOM 0 HE2 MET A 135 17.206 0.447 -14.273 1.00 53.21 H new ATOM 0 HE3 MET A 135 16.969 -1.316 -14.237 1.00 53.21 H new ATOM 2104 N ILE A 136 17.622 -2.896 -17.964 1.00 52.40 N ATOM 2105 CA ILE A 136 16.818 -4.098 -18.141 1.00 73.44 C ATOM 2106 C ILE A 136 17.490 -5.072 -19.104 1.00 13.21 C ATOM 2107 O ILE A 136 17.768 -6.218 -18.751 1.00 12.34 O ATOM 2108 CB ILE A 136 15.410 -3.762 -18.669 1.00 23.14 C ATOM 2109 CG1 ILE A 136 14.698 -2.806 -17.710 1.00 33.23 C ATOM 2110 CG2 ILE A 136 14.598 -5.034 -18.858 1.00 73.32 C ATOM 2111 CD1 ILE A 136 13.501 -2.115 -18.324 1.00 40.42 C ATOM 0 H ILE A 136 17.119 -2.024 -18.129 1.00 52.40 H new ATOM 0 HA ILE A 136 16.728 -4.564 -17.160 1.00 73.44 H new ATOM 0 HB ILE A 136 15.508 -3.270 -19.637 1.00 23.14 H new ATOM 0 HG12 ILE A 136 14.375 -3.361 -16.830 1.00 33.23 H new ATOM 0 HG13 ILE A 136 15.407 -2.052 -17.368 1.00 33.23 H new ATOM 0 HG21 ILE A 136 13.606 -4.780 -19.231 1.00 73.32 H new ATOM 0 HG22 ILE A 136 15.100 -5.683 -19.575 1.00 73.32 H new ATOM 0 HG23 ILE A 136 14.505 -5.551 -17.903 1.00 73.32 H new ATOM 0 HD11 ILE A 136 13.046 -1.453 -17.587 1.00 40.42 H new ATOM 0 HD12 ILE A 136 13.821 -1.532 -19.188 1.00 40.42 H new ATOM 0 HD13 ILE A 136 12.772 -2.862 -18.640 1.00 40.42 H new ATOM 2123 N SER A 137 17.750 -4.607 -20.322 1.00 14.23 N ATOM 2124 CA SER A 137 18.388 -5.437 -21.337 1.00 13.23 C ATOM 2125 C SER A 137 19.889 -5.544 -21.086 1.00 52.42 C ATOM 2126 O SER A 137 20.698 -5.128 -21.915 1.00 73.24 O ATOM 2127 CB SER A 137 18.132 -4.862 -22.731 1.00 54.40 C ATOM 2128 OG SER A 137 18.869 -5.565 -23.716 1.00 52.41 O ATOM 0 H SER A 137 17.529 -3.660 -20.630 1.00 14.23 H new ATOM 0 HA SER A 137 17.955 -6.436 -21.279 1.00 13.23 H new ATOM 0 HB2 SER A 137 17.068 -4.917 -22.961 1.00 54.40 H new ATOM 0 HB3 SER A 137 18.408 -3.808 -22.749 1.00 54.40 H new ATOM 0 HG SER A 137 19.828 -5.443 -23.556 1.00 52.41 H new ATOM 2272 N GLU A 162 1.619 10.203 -30.914 1.00 32.23 N ATOM 2273 CA GLU A 162 0.513 11.112 -30.635 1.00 62.21 C ATOM 2274 C GLU A 162 1.026 12.521 -30.354 1.00 14.45 C ATOM 2275 O GLU A 162 0.462 13.506 -30.833 1.00 3.42 O ATOM 2276 CB GLU A 162 -0.304 10.607 -29.444 1.00 24.11 C ATOM 2277 CG GLU A 162 -1.770 10.372 -29.767 1.00 3.12 C ATOM 2278 CD GLU A 162 -2.600 10.084 -28.531 1.00 73.34 C ATOM 2279 OE1 GLU A 162 -2.277 10.635 -27.458 1.00 73.12 O ATOM 2280 OE2 GLU A 162 -3.572 9.307 -28.637 1.00 54.23 O ATOM 0 HA GLU A 162 -0.128 11.146 -31.516 1.00 62.21 H new ATOM 0 HB2 GLU A 162 0.133 9.676 -29.083 1.00 24.11 H new ATOM 0 HB3 GLU A 162 -0.231 11.330 -28.632 1.00 24.11 H new ATOM 0 HG2 GLU A 162 -2.172 11.249 -30.274 1.00 3.12 H new ATOM 0 HG3 GLU A 162 -1.856 9.536 -30.461 1.00 3.12 H new ATOM 2287 N LEU A 163 2.097 12.610 -29.573 1.00 33.02 N ATOM 2288 CA LEU A 163 2.686 13.899 -29.226 1.00 22.41 C ATOM 2289 C LEU A 163 3.369 14.528 -30.436 1.00 11.52 C ATOM 2290 O LEU A 163 3.316 15.743 -30.628 1.00 42.31 O ATOM 2291 CB LEU A 163 3.694 13.731 -28.087 1.00 71.34 C ATOM 2292 CG LEU A 163 3.123 13.256 -26.751 1.00 3.15 C ATOM 2293 CD1 LEU A 163 4.108 12.336 -26.046 1.00 45.40 C ATOM 2294 CD2 LEU A 163 2.775 14.445 -25.867 1.00 4.21 C ATOM 0 H LEU A 163 2.575 11.805 -29.168 1.00 33.02 H new ATOM 0 HA LEU A 163 1.885 14.561 -28.899 1.00 22.41 H new ATOM 0 HB2 LEU A 163 4.458 13.021 -28.406 1.00 71.34 H new ATOM 0 HB3 LEU A 163 4.194 14.686 -27.927 1.00 71.34 H new ATOM 0 HG LEU A 163 2.210 12.695 -26.947 1.00 3.15 H new ATOM 0 HD11 LEU A 163 3.684 12.008 -25.097 1.00 45.40 H new ATOM 0 HD12 LEU A 163 4.308 11.468 -26.674 1.00 45.40 H new ATOM 0 HD13 LEU A 163 5.039 12.872 -25.862 1.00 45.40 H new ATOM 0 HD21 LEU A 163 2.370 14.088 -24.920 1.00 4.21 H new ATOM 0 HD22 LEU A 163 3.673 15.034 -25.679 1.00 4.21 H new ATOM 0 HD23 LEU A 163 2.033 15.066 -26.368 1.00 4.21 H new ATOM 2306 N ASP A 164 4.007 13.694 -31.249 1.00 41.32 N ATOM 2307 CA ASP A 164 4.697 14.169 -32.443 1.00 25.22 C ATOM 2308 C ASP A 164 3.733 14.893 -33.377 1.00 10.44 C ATOM 2309 O ASP A 164 4.020 15.993 -33.849 1.00 53.43 O ATOM 2310 CB ASP A 164 5.355 12.999 -33.176 1.00 42.05 C ATOM 2311 CG ASP A 164 6.477 12.370 -32.374 1.00 62.23 C ATOM 2312 OD1 ASP A 164 6.622 12.716 -31.183 1.00 11.10 O ATOM 2313 OD2 ASP A 164 7.210 11.530 -32.937 1.00 41.35 O ATOM 0 H ASP A 164 4.061 12.686 -31.103 1.00 41.32 H new ATOM 0 HA ASP A 164 5.468 14.873 -32.131 1.00 25.22 H new ATOM 0 HB2 ASP A 164 4.602 12.243 -33.396 1.00 42.05 H new ATOM 0 HB3 ASP A 164 5.747 13.347 -34.132 1.00 42.05 H new ATOM 2318 N ARG A 165 2.590 14.269 -33.639 1.00 34.24 N ATOM 2319 CA ARG A 165 1.584 14.853 -34.518 1.00 11.03 C ATOM 2320 C ARG A 165 1.144 16.222 -34.006 1.00 72.43 C ATOM 2321 O ARG A 165 1.162 17.208 -34.744 1.00 64.44 O ATOM 2322 CB ARG A 165 0.373 13.925 -34.630 1.00 12.11 C ATOM 2323 CG ARG A 165 -0.280 13.939 -36.002 1.00 52.24 C ATOM 2324 CD ARG A 165 -1.557 13.113 -36.020 1.00 41.34 C ATOM 2325 NE ARG A 165 -2.554 13.667 -36.932 1.00 53.21 N ATOM 2326 CZ ARG A 165 -3.842 13.343 -36.898 1.00 21.41 C ATOM 2327 NH1 ARG A 165 -4.286 12.472 -36.002 1.00 0.23 N ATOM 2328 NH2 ARG A 165 -4.688 13.890 -37.761 1.00 74.50 N ATOM 0 H ARG A 165 2.337 13.359 -33.255 1.00 34.24 H new ATOM 0 HA ARG A 165 2.029 14.979 -35.505 1.00 11.03 H new ATOM 0 HB2 ARG A 165 0.683 12.907 -34.395 1.00 12.11 H new ATOM 0 HB3 ARG A 165 -0.366 14.214 -33.882 1.00 12.11 H new ATOM 0 HG2 ARG A 165 -0.506 14.966 -36.288 1.00 52.24 H new ATOM 0 HG3 ARG A 165 0.418 13.548 -36.742 1.00 52.24 H new ATOM 0 HD2 ARG A 165 -1.323 12.090 -36.316 1.00 41.34 H new ATOM 0 HD3 ARG A 165 -1.973 13.066 -35.013 1.00 41.34 H new ATOM 0 HE ARG A 165 -2.245 14.340 -37.634 1.00 53.21 H new ATOM 0 HH11 ARG A 165 -3.638 12.049 -35.337 1.00 0.23 H new ATOM 0 HH12 ARG A 165 -5.275 12.225 -35.978 1.00 0.23 H new ATOM 0 HH21 ARG A 165 -4.350 14.560 -38.452 1.00 74.50 H new ATOM 0 HH22 ARG A 165 -5.677 13.640 -37.734 1.00 74.50 H new ATOM 2342 N LEU A 166 0.748 16.275 -32.739 1.00 71.44 N ATOM 2343 CA LEU A 166 0.302 17.522 -32.129 1.00 3.34 C ATOM 2344 C LEU A 166 1.353 18.615 -32.294 1.00 42.42 C ATOM 2345 O LEU A 166 1.028 19.763 -32.601 1.00 52.01 O ATOM 2346 CB LEU A 166 0.003 17.308 -30.644 1.00 33.31 C ATOM 2347 CG LEU A 166 -1.267 16.518 -30.323 1.00 24.13 C ATOM 2348 CD1 LEU A 166 -1.153 15.857 -28.958 1.00 1.03 C ATOM 2349 CD2 LEU A 166 -2.487 17.425 -30.378 1.00 74.33 C ATOM 0 H LEU A 166 0.727 15.469 -32.114 1.00 71.44 H new ATOM 0 HA LEU A 166 -0.610 17.840 -32.635 1.00 3.34 H new ATOM 0 HB2 LEU A 166 0.851 16.793 -30.193 1.00 33.31 H new ATOM 0 HB3 LEU A 166 -0.069 18.284 -30.164 1.00 33.31 H new ATOM 0 HG LEU A 166 -1.386 15.737 -31.074 1.00 24.13 H new ATOM 0 HD11 LEU A 166 -2.065 15.299 -28.746 1.00 1.03 H new ATOM 0 HD12 LEU A 166 -0.302 15.176 -28.954 1.00 1.03 H new ATOM 0 HD13 LEU A 166 -1.010 16.621 -28.194 1.00 1.03 H new ATOM 0 HD21 LEU A 166 -3.381 16.846 -30.147 1.00 74.33 H new ATOM 0 HD22 LEU A 166 -2.376 18.228 -29.649 1.00 74.33 H new ATOM 0 HD23 LEU A 166 -2.579 17.851 -31.377 1.00 74.33 H new ATOM 2361 N LEU A 167 2.615 18.252 -32.091 1.00 74.42 N ATOM 2362 CA LEU A 167 3.715 19.201 -32.220 1.00 72.22 C ATOM 2363 C LEU A 167 3.710 19.855 -33.598 1.00 5.51 C ATOM 2364 O LEU A 167 3.820 21.077 -33.717 1.00 75.42 O ATOM 2365 CB LEU A 167 5.052 18.497 -31.982 1.00 10.35 C ATOM 2366 CG LEU A 167 5.670 18.683 -30.595 1.00 42.14 C ATOM 2367 CD1 LEU A 167 6.151 20.114 -30.413 1.00 3.20 C ATOM 2368 CD2 LEU A 167 4.669 18.313 -29.511 1.00 31.21 C ATOM 0 H LEU A 167 2.902 17.307 -31.836 1.00 74.42 H new ATOM 0 HA LEU A 167 3.582 19.979 -31.468 1.00 72.22 H new ATOM 0 HB2 LEU A 167 4.914 17.430 -32.157 1.00 10.35 H new ATOM 0 HB3 LEU A 167 5.765 18.852 -32.726 1.00 10.35 H new ATOM 0 HG LEU A 167 6.530 18.019 -30.509 1.00 42.14 H new ATOM 0 HD11 LEU A 167 6.588 20.228 -29.421 1.00 3.20 H new ATOM 0 HD12 LEU A 167 6.902 20.344 -31.169 1.00 3.20 H new ATOM 0 HD13 LEU A 167 5.308 20.797 -30.519 1.00 3.20 H new ATOM 0 HD21 LEU A 167 5.126 18.451 -28.531 1.00 31.21 H new ATOM 0 HD22 LEU A 167 3.789 18.951 -29.595 1.00 31.21 H new ATOM 0 HD23 LEU A 167 4.373 17.271 -29.629 1.00 31.21 H new ATOM 2380 N LEU A 168 3.582 19.036 -34.636 1.00 13.52 N ATOM 2381 CA LEU A 168 3.560 19.536 -36.006 1.00 64.24 C ATOM 2382 C LEU A 168 2.523 20.642 -36.167 1.00 12.22 C ATOM 2383 O LEU A 168 2.794 21.676 -36.777 1.00 74.44 O ATOM 2384 CB LEU A 168 3.261 18.395 -36.981 1.00 3.30 C ATOM 2385 CG LEU A 168 3.581 18.667 -38.451 1.00 45.42 C ATOM 2386 CD1 LEU A 168 4.413 17.536 -39.035 1.00 25.04 C ATOM 2387 CD2 LEU A 168 2.300 18.856 -39.250 1.00 0.31 C ATOM 0 H LEU A 168 3.492 18.023 -34.555 1.00 13.52 H new ATOM 0 HA LEU A 168 4.543 19.951 -36.231 1.00 64.24 H new ATOM 0 HB2 LEU A 168 3.823 17.516 -36.664 1.00 3.30 H new ATOM 0 HB3 LEU A 168 2.204 18.143 -36.901 1.00 3.30 H new ATOM 0 HG LEU A 168 4.163 19.587 -38.511 1.00 45.42 H new ATOM 0 HD11 LEU A 168 4.631 17.748 -40.082 1.00 25.04 H new ATOM 0 HD12 LEU A 168 5.347 17.448 -38.481 1.00 25.04 H new ATOM 0 HD13 LEU A 168 3.858 16.601 -38.962 1.00 25.04 H new ATOM 0 HD21 LEU A 168 2.547 19.049 -40.294 1.00 0.31 H new ATOM 0 HD22 LEU A 168 1.692 17.954 -39.182 1.00 0.31 H new ATOM 0 HD23 LEU A 168 1.742 19.701 -38.848 1.00 0.31 H new ATOM 2399 N GLU A 169 1.335 20.418 -35.612 1.00 45.05 N ATOM 2400 CA GLU A 169 0.258 21.397 -35.693 1.00 42.45 C ATOM 2401 C GLU A 169 0.719 22.757 -35.177 1.00 1.24 C ATOM 2402 O GLU A 169 0.494 23.786 -35.815 1.00 74.05 O ATOM 2403 CB GLU A 169 -0.956 20.920 -34.894 1.00 1.43 C ATOM 2404 CG GLU A 169 -2.269 21.043 -35.649 1.00 64.51 C ATOM 2405 CD GLU A 169 -3.356 20.154 -35.076 1.00 51.43 C ATOM 2406 OE1 GLU A 169 -3.028 19.051 -34.593 1.00 33.21 O ATOM 2407 OE2 GLU A 169 -4.535 20.564 -35.112 1.00 14.04 O ATOM 0 H GLU A 169 1.095 19.568 -35.102 1.00 45.05 H new ATOM 0 HA GLU A 169 -0.025 21.502 -36.740 1.00 42.45 H new ATOM 0 HB2 GLU A 169 -0.807 19.878 -34.610 1.00 1.43 H new ATOM 0 HB3 GLU A 169 -1.022 21.496 -33.971 1.00 1.43 H new ATOM 0 HG2 GLU A 169 -2.602 22.080 -35.624 1.00 64.51 H new ATOM 0 HG3 GLU A 169 -2.108 20.785 -36.696 1.00 64.51 H new ATOM 2414 N LEU A 170 1.365 22.754 -34.016 1.00 2.20 N ATOM 2415 CA LEU A 170 1.858 23.987 -33.412 1.00 22.05 C ATOM 2416 C LEU A 170 2.701 24.781 -34.404 1.00 55.45 C ATOM 2417 O LEU A 170 2.547 25.995 -34.532 1.00 11.30 O ATOM 2418 CB LEU A 170 2.684 23.671 -32.163 1.00 13.41 C ATOM 2419 CG LEU A 170 2.296 24.429 -30.893 1.00 12.13 C ATOM 2420 CD1 LEU A 170 3.266 24.112 -29.765 1.00 13.21 C ATOM 2421 CD2 LEU A 170 2.253 25.927 -31.157 1.00 45.01 C ATOM 0 H LEU A 170 1.560 21.912 -33.474 1.00 2.20 H new ATOM 0 HA LEU A 170 0.997 24.593 -33.129 1.00 22.05 H new ATOM 0 HB2 LEU A 170 2.608 22.602 -31.962 1.00 13.41 H new ATOM 0 HB3 LEU A 170 3.731 23.880 -32.382 1.00 13.41 H new ATOM 0 HG LEU A 170 1.300 24.106 -30.590 1.00 12.13 H new ATOM 0 HD11 LEU A 170 2.974 24.660 -28.869 1.00 13.21 H new ATOM 0 HD12 LEU A 170 3.246 23.042 -29.558 1.00 13.21 H new ATOM 0 HD13 LEU A 170 4.274 24.406 -30.058 1.00 13.21 H new ATOM 0 HD21 LEU A 170 1.975 26.450 -30.242 1.00 45.01 H new ATOM 0 HD22 LEU A 170 3.235 26.267 -31.485 1.00 45.01 H new ATOM 0 HD23 LEU A 170 1.518 26.139 -31.933 1.00 45.01 H new