USER MOD reduce.3.24.130724 H: found=0, std=0, add=1083, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1079 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 135 HIS : no HE2:sc= 0.579 K(o=0.62,f=-1.9!) USER MOD Set 1.2: A 136 SER OG : rot 68:sc= 0.0377 USER MOD Set 2.1: A 123 TYR OH : rot -125:sc= 0.903 USER MOD Set 2.2: A 138 LYS NZ :NH3+ -163:sc= 1.22 (180deg=0.868) USER MOD Set 3.1: A 110 SER OG : rot 127:sc= 1.05 USER MOD Set 3.2: A 114 LYS NZ :NH3+ 168:sc= 0.825 (180deg=-0.879) USER MOD Set 4.1: A 79 LYS NZ :NH3+ -162:sc= 1.8 (180deg=0.388) USER MOD Set 4.2: A 108 GLN : amide:sc= 3.31 K(o=5.1,f=-12!) USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot -97:sc= 0.068 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot -73:sc= 1.27 USER MOD Single : A 34 LYS NZ :NH3+ -171:sc= 1.24 (180deg=1.17) USER MOD Single : A 35 SER OG : rot 180:sc= 0.0409 USER MOD Single : A 38 SER OG : rot 180:sc= -0.0866 USER MOD Single : A 40 ASN : amide:sc= -4.99! C(o=-5!,f=-6.1!) USER MOD Single : A 41 SER OG : rot -103:sc= 0.68 USER MOD Single : A 43 HIS : no HE2:sc= 1.11 K(o=1.1,f=-4.3!) USER MOD Single : A 47 HIS : no HD1:sc= 0 X(o=0,f=-0.0065) USER MOD Single : A 52 HIS : no HE2:sc= 0.0929 K(o=0.093,f=-1.2) USER MOD Single : A 57 TYR OH : rot -118:sc= 0.899 USER MOD Single : A 59 ASN : amide:sc= -1.12! C(o=-1.1!,f=-12!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.00355 USER MOD Single : A 65 THR OG1 : rot 98:sc= 1.14 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.0245 USER MOD Single : A 70 GLN : amide:sc= -0.464 X(o=-0.46,f=-0.63) USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 164:sc= 1.1 (180deg=0.573) USER MOD Single : A 88 ASN : amide:sc= 0.671 K(o=0.67,f=0) USER MOD Single : A 90 SER OG : rot 174:sc= 0.901 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 TYR OH : rot 180:sc= -0.105 USER MOD Single : A 100 LYS NZ :NH3+ 169:sc= -0.0112 (180deg=-0.156) USER MOD Single : A 104 LYS NZ :NH3+ 172:sc= 1.24 (180deg=1.15) USER MOD Single : A 105 SER OG : rot -147:sc= 1.19 USER MOD Single : A 111 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 113 GLN : amide:sc= -0.524 X(o=-0.52,f=-0.067) USER MOD Single : A 128 LYS NZ :NH3+ -169:sc= -0.0199 (180deg=-0.198) USER MOD Single : A 131 SER OG : rot -108:sc= 0.469 USER MOD Single : A 132 CYS SG : rot -69:sc= -2.33! USER MOD Single : A 141 MET CE :methyl 153:sc= -0.128 (180deg=-1.3) USER MOD Single : A 142 SER OG : rot -160:sc= -0.619! USER MOD Single : A 143 LYS NZ :NH3+ 157:sc= 1.25 (180deg=1.21) USER MOD Single : A 147 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 14 -17.849 19.167 13.548 1.00 11.00 N ATOM 2 CA ASP A 14 -18.597 18.228 14.391 1.00 43.05 C ATOM 3 C ASP A 14 -17.974 16.875 14.384 1.00 43.14 C ATOM 4 O ASP A 14 -17.447 16.429 13.366 1.00 31.10 O ATOM 5 CB ASP A 14 -20.061 18.140 13.999 1.00 64.15 C ATOM 6 CG ASP A 14 -20.834 19.307 14.515 1.00 54.44 C ATOM 7 OD1 ASP A 14 -20.901 20.338 13.836 1.00 52.20 O ATOM 8 OD2 ASP A 14 -21.353 19.233 15.642 1.00 12.22 O ATOM 0 HA ASP A 14 -18.553 18.623 15.406 1.00 43.05 H new ATOM 0 HB2 ASP A 14 -20.146 18.096 12.913 1.00 64.15 H new ATOM 0 HB3 ASP A 14 -20.489 17.217 14.390 1.00 64.15 H new ATOM 13 N MET A 15 -18.087 16.174 15.507 1.00 11.31 N ATOM 14 CA MET A 15 -17.444 14.872 15.692 1.00 31.21 C ATOM 15 C MET A 15 -18.155 13.756 14.940 1.00 51.42 C ATOM 16 O MET A 15 -17.816 12.591 15.093 1.00 44.22 O ATOM 17 CB MET A 15 -17.314 14.498 17.180 1.00 50.23 C ATOM 18 CG MET A 15 -18.637 14.281 17.898 1.00 32.14 C ATOM 19 SD MET A 15 -18.419 13.740 19.596 1.00 24.42 S ATOM 20 CE MET A 15 -20.127 13.629 20.114 1.00 44.11 C ATOM 0 H MET A 15 -18.625 16.489 16.315 1.00 11.31 H new ATOM 0 HA MET A 15 -16.444 14.977 15.271 1.00 31.21 H new ATOM 0 HB2 MET A 15 -16.718 13.589 17.261 1.00 50.23 H new ATOM 0 HB3 MET A 15 -16.763 15.287 17.692 1.00 50.23 H new ATOM 0 HG2 MET A 15 -19.209 15.209 17.887 1.00 32.14 H new ATOM 0 HG3 MET A 15 -19.223 13.539 17.356 1.00 32.14 H new ATOM 0 HE1 MET A 15 -20.172 13.303 21.153 1.00 44.11 H new ATOM 0 HE2 MET A 15 -20.600 14.606 20.019 1.00 44.11 H new ATOM 0 HE3 MET A 15 -20.652 12.910 19.485 1.00 44.11 H new ATOM 30 N VAL A 16 -19.104 14.111 14.105 1.00 4.14 N ATOM 31 CA VAL A 16 -19.825 13.135 13.318 1.00 2.13 C ATOM 32 C VAL A 16 -18.881 12.458 12.322 1.00 55.31 C ATOM 33 O VAL A 16 -18.908 11.235 12.163 1.00 11.03 O ATOM 34 CB VAL A 16 -21.077 13.739 12.610 1.00 73.51 C ATOM 35 CG1 VAL A 16 -22.097 14.192 13.645 1.00 70.41 C ATOM 36 CG2 VAL A 16 -20.709 14.909 11.697 1.00 4.13 C ATOM 0 H VAL A 16 -19.397 15.076 13.952 1.00 4.14 H new ATOM 0 HA VAL A 16 -20.207 12.378 14.003 1.00 2.13 H new ATOM 0 HB VAL A 16 -21.510 12.956 11.988 1.00 73.51 H new ATOM 0 HG11 VAL A 16 -22.967 14.612 13.139 1.00 70.41 H new ATOM 0 HG12 VAL A 16 -22.405 13.339 14.249 1.00 70.41 H new ATOM 0 HG13 VAL A 16 -21.650 14.950 14.288 1.00 70.41 H new ATOM 0 HG21 VAL A 16 -21.610 15.299 11.224 1.00 4.13 H new ATOM 0 HG22 VAL A 16 -20.238 15.696 12.286 1.00 4.13 H new ATOM 0 HG23 VAL A 16 -20.016 14.567 10.929 1.00 4.13 H new ATOM 46 N THR A 17 -17.989 13.250 11.728 1.00 30.14 N ATOM 47 CA THR A 17 -16.991 12.736 10.818 1.00 51.43 C ATOM 48 C THR A 17 -15.925 11.955 11.611 1.00 3.22 C ATOM 49 O THR A 17 -15.332 11.001 11.117 1.00 72.54 O ATOM 50 CB THR A 17 -16.334 13.898 10.025 1.00 32.40 C ATOM 51 OG1 THR A 17 -17.357 14.672 9.377 1.00 73.11 O ATOM 52 CG2 THR A 17 -15.362 13.375 8.970 1.00 41.42 C ATOM 0 H THR A 17 -17.946 14.259 11.869 1.00 30.14 H new ATOM 0 HA THR A 17 -17.468 12.064 10.105 1.00 51.43 H new ATOM 0 HB THR A 17 -15.777 14.515 10.730 1.00 32.40 H new ATOM 0 HG1 THR A 17 -17.453 14.375 8.448 1.00 73.11 H new ATOM 0 HG21 THR A 17 -14.920 14.215 8.434 1.00 41.42 H new ATOM 0 HG22 THR A 17 -14.574 12.799 9.455 1.00 41.42 H new ATOM 0 HG23 THR A 17 -15.897 12.737 8.267 1.00 41.42 H new ATOM 60 N ASP A 18 -15.719 12.350 12.855 1.00 15.03 N ATOM 61 CA ASP A 18 -14.752 11.685 13.724 1.00 55.34 C ATOM 62 C ASP A 18 -15.244 10.309 14.092 1.00 24.14 C ATOM 63 O ASP A 18 -14.512 9.324 13.986 1.00 34.13 O ATOM 64 CB ASP A 18 -14.447 12.505 14.984 1.00 73.04 C ATOM 65 CG ASP A 18 -13.688 13.783 14.696 1.00 54.13 C ATOM 66 OD1 ASP A 18 -14.180 14.886 15.040 1.00 63.24 O ATOM 67 OD2 ASP A 18 -12.579 13.701 14.121 1.00 32.02 O ATOM 0 H ASP A 18 -16.209 13.131 13.292 1.00 15.03 H new ATOM 0 HA ASP A 18 -13.819 11.594 13.168 1.00 55.34 H new ATOM 0 HB2 ASP A 18 -15.383 12.751 15.485 1.00 73.04 H new ATOM 0 HB3 ASP A 18 -13.867 11.894 15.676 1.00 73.04 H new ATOM 72 N LEU A 19 -16.505 10.239 14.477 1.00 64.23 N ATOM 73 CA LEU A 19 -17.155 8.988 14.814 1.00 53.14 C ATOM 74 C LEU A 19 -17.194 8.091 13.586 1.00 1.32 C ATOM 75 O LEU A 19 -16.864 6.914 13.662 1.00 14.21 O ATOM 76 CB LEU A 19 -18.579 9.276 15.390 1.00 24.40 C ATOM 77 CG LEU A 19 -19.470 8.084 15.867 1.00 31.33 C ATOM 78 CD1 LEU A 19 -20.092 7.316 14.708 1.00 3.33 C ATOM 79 CD2 LEU A 19 -18.684 7.139 16.762 1.00 5.32 C ATOM 0 H LEU A 19 -17.110 11.055 14.565 1.00 64.23 H new ATOM 0 HA LEU A 19 -16.593 8.462 15.586 1.00 53.14 H new ATOM 0 HB2 LEU A 19 -18.459 9.953 16.236 1.00 24.40 H new ATOM 0 HB3 LEU A 19 -19.138 9.816 14.626 1.00 24.40 H new ATOM 0 HG LEU A 19 -20.287 8.521 16.442 1.00 31.33 H new ATOM 0 HD11 LEU A 19 -20.700 6.500 15.097 1.00 3.33 H new ATOM 0 HD12 LEU A 19 -20.719 7.988 14.121 1.00 3.33 H new ATOM 0 HD13 LEU A 19 -19.303 6.911 14.075 1.00 3.33 H new ATOM 0 HD21 LEU A 19 -19.328 6.319 17.080 1.00 5.32 H new ATOM 0 HD22 LEU A 19 -17.833 6.740 16.211 1.00 5.32 H new ATOM 0 HD23 LEU A 19 -18.327 7.680 17.638 1.00 5.32 H new ATOM 91 N ASP A 20 -17.536 8.677 12.458 1.00 54.30 N ATOM 92 CA ASP A 20 -17.661 7.947 11.211 1.00 32.15 C ATOM 93 C ASP A 20 -16.346 7.329 10.793 1.00 51.04 C ATOM 94 O ASP A 20 -16.307 6.157 10.420 1.00 43.50 O ATOM 95 CB ASP A 20 -18.242 8.850 10.115 1.00 44.44 C ATOM 96 CG ASP A 20 -18.243 8.234 8.731 1.00 54.13 C ATOM 97 OD1 ASP A 20 -19.018 7.288 8.474 1.00 31.32 O ATOM 98 OD2 ASP A 20 -17.500 8.730 7.856 1.00 11.23 O ATOM 0 H ASP A 20 -17.736 9.674 12.378 1.00 54.30 H new ATOM 0 HA ASP A 20 -18.357 7.123 11.369 1.00 32.15 H new ATOM 0 HB2 ASP A 20 -19.265 9.113 10.383 1.00 44.44 H new ATOM 0 HB3 ASP A 20 -17.671 9.778 10.086 1.00 44.44 H new ATOM 103 N VAL A 21 -15.261 8.070 10.919 1.00 11.02 N ATOM 104 CA VAL A 21 -13.983 7.529 10.516 1.00 22.42 C ATOM 105 C VAL A 21 -13.445 6.503 11.498 1.00 71.44 C ATOM 106 O VAL A 21 -12.916 5.477 11.078 1.00 20.13 O ATOM 107 CB VAL A 21 -12.902 8.587 10.195 1.00 0.14 C ATOM 108 CG1 VAL A 21 -13.382 9.494 9.101 1.00 2.35 C ATOM 109 CG2 VAL A 21 -12.498 9.385 11.424 1.00 15.33 C ATOM 0 H VAL A 21 -15.239 9.021 11.287 1.00 11.02 H new ATOM 0 HA VAL A 21 -14.205 7.027 9.574 1.00 22.42 H new ATOM 0 HB VAL A 21 -12.010 8.060 9.856 1.00 0.14 H new ATOM 0 HG11 VAL A 21 -12.615 10.236 8.881 1.00 2.35 H new ATOM 0 HG12 VAL A 21 -13.587 8.907 8.206 1.00 2.35 H new ATOM 0 HG13 VAL A 21 -14.294 9.998 9.420 1.00 2.35 H new ATOM 0 HG21 VAL A 21 -11.737 10.115 11.150 1.00 15.33 H new ATOM 0 HG22 VAL A 21 -13.370 9.902 11.825 1.00 15.33 H new ATOM 0 HG23 VAL A 21 -12.097 8.710 12.180 1.00 15.33 H new ATOM 119 N LYS A 22 -13.606 6.741 12.809 1.00 31.41 N ATOM 120 CA LYS A 22 -13.090 5.783 13.767 1.00 75.31 C ATOM 121 C LYS A 22 -13.948 4.535 13.757 1.00 51.35 C ATOM 122 O LYS A 22 -13.454 3.440 14.013 1.00 30.14 O ATOM 123 CB LYS A 22 -12.940 6.354 15.196 1.00 52.35 C ATOM 124 CG LYS A 22 -14.236 6.740 15.893 1.00 21.15 C ATOM 125 CD LYS A 22 -13.974 7.194 17.321 1.00 5.52 C ATOM 126 CE LYS A 22 -15.266 7.527 18.043 1.00 22.23 C ATOM 127 NZ LYS A 22 -15.038 7.912 19.449 1.00 63.32 N ATOM 0 H LYS A 22 -14.071 7.557 13.207 1.00 31.41 H new ATOM 0 HA LYS A 22 -12.078 5.530 13.452 1.00 75.31 H new ATOM 0 HB2 LYS A 22 -12.425 5.615 15.810 1.00 52.35 H new ATOM 0 HB3 LYS A 22 -12.298 7.234 15.150 1.00 52.35 H new ATOM 0 HG2 LYS A 22 -14.727 7.539 15.338 1.00 21.15 H new ATOM 0 HG3 LYS A 22 -14.918 5.890 15.898 1.00 21.15 H new ATOM 0 HD2 LYS A 22 -13.445 6.410 17.862 1.00 5.52 H new ATOM 0 HD3 LYS A 22 -13.324 8.069 17.313 1.00 5.52 H new ATOM 0 HE2 LYS A 22 -15.771 8.341 17.523 1.00 22.23 H new ATOM 0 HE3 LYS A 22 -15.932 6.665 18.008 1.00 22.23 H new ATOM 0 HZ1 LYS A 22 -15.949 8.130 19.901 1.00 63.32 H new ATOM 0 HZ2 LYS A 22 -14.580 7.127 19.954 1.00 63.32 H new ATOM 0 HZ3 LYS A 22 -14.424 8.751 19.484 1.00 63.32 H new ATOM 141 N GLY A 23 -15.222 4.704 13.408 1.00 52.13 N ATOM 142 CA GLY A 23 -16.130 3.591 13.327 1.00 31.35 C ATOM 143 C GLY A 23 -15.829 2.751 12.114 1.00 41.35 C ATOM 144 O GLY A 23 -15.797 1.523 12.192 1.00 52.12 O ATOM 0 H GLY A 23 -15.637 5.607 13.179 1.00 52.13 H new ATOM 0 HA2 GLY A 23 -16.049 2.982 14.227 1.00 31.35 H new ATOM 0 HA3 GLY A 23 -17.157 3.954 13.279 1.00 31.35 H new ATOM 148 N LEU A 24 -15.565 3.423 10.999 1.00 53.31 N ATOM 149 CA LEU A 24 -15.224 2.783 9.759 1.00 4.22 C ATOM 150 C LEU A 24 -13.902 2.061 9.923 1.00 3.32 C ATOM 151 O LEU A 24 -13.790 0.876 9.621 1.00 30.43 O ATOM 152 CB LEU A 24 -15.082 3.841 8.667 1.00 24.44 C ATOM 153 CG LEU A 24 -14.811 3.313 7.284 1.00 63.13 C ATOM 154 CD1 LEU A 24 -16.075 2.757 6.657 1.00 73.35 C ATOM 155 CD2 LEU A 24 -14.150 4.348 6.395 1.00 4.50 C ATOM 0 H LEU A 24 -15.585 4.441 10.943 1.00 53.31 H new ATOM 0 HA LEU A 24 -16.005 2.074 9.484 1.00 4.22 H new ATOM 0 HB2 LEU A 24 -15.997 4.433 8.638 1.00 24.44 H new ATOM 0 HB3 LEU A 24 -14.273 4.517 8.944 1.00 24.44 H new ATOM 0 HG LEU A 24 -14.100 2.492 7.383 1.00 63.13 H new ATOM 0 HD11 LEU A 24 -15.851 2.382 5.658 1.00 73.35 H new ATOM 0 HD12 LEU A 24 -16.459 1.943 7.272 1.00 73.35 H new ATOM 0 HD13 LEU A 24 -16.825 3.545 6.589 1.00 73.35 H new ATOM 0 HD21 LEU A 24 -13.974 3.921 5.408 1.00 4.50 H new ATOM 0 HD22 LEU A 24 -14.801 5.218 6.303 1.00 4.50 H new ATOM 0 HD23 LEU A 24 -13.199 4.651 6.834 1.00 4.50 H new ATOM 167 N GLY A 25 -12.918 2.787 10.443 1.00 71.40 N ATOM 168 CA GLY A 25 -11.600 2.246 10.669 1.00 12.05 C ATOM 169 C GLY A 25 -11.621 1.065 11.607 1.00 41.43 C ATOM 170 O GLY A 25 -10.891 0.092 11.404 1.00 23.34 O ATOM 0 H GLY A 25 -13.020 3.764 10.716 1.00 71.40 H new ATOM 0 HA2 GLY A 25 -11.165 1.943 9.716 1.00 12.05 H new ATOM 0 HA3 GLY A 25 -10.956 3.023 11.081 1.00 12.05 H new ATOM 174 N TYR A 26 -12.453 1.138 12.635 1.00 75.23 N ATOM 175 CA TYR A 26 -12.580 0.047 13.567 1.00 72.20 C ATOM 176 C TYR A 26 -13.236 -1.145 12.904 1.00 15.52 C ATOM 177 O TYR A 26 -12.787 -2.249 13.078 1.00 74.13 O ATOM 178 CB TYR A 26 -13.360 0.448 14.839 1.00 51.13 C ATOM 179 CG TYR A 26 -13.583 -0.714 15.790 1.00 34.22 C ATOM 180 CD1 TYR A 26 -14.811 -1.362 15.850 1.00 43.12 C ATOM 181 CD2 TYR A 26 -12.553 -1.191 16.588 1.00 64.02 C ATOM 182 CE1 TYR A 26 -15.004 -2.447 16.675 1.00 3.43 C ATOM 183 CE2 TYR A 26 -12.744 -2.272 17.422 1.00 4.34 C ATOM 184 CZ TYR A 26 -13.970 -2.898 17.460 1.00 55.55 C ATOM 185 OH TYR A 26 -14.159 -3.995 18.274 1.00 20.20 O ATOM 0 H TYR A 26 -13.046 1.943 12.838 1.00 75.23 H new ATOM 0 HA TYR A 26 -11.571 -0.225 13.878 1.00 72.20 H new ATOM 0 HB2 TYR A 26 -12.815 1.236 15.359 1.00 51.13 H new ATOM 0 HB3 TYR A 26 -14.325 0.864 14.550 1.00 51.13 H new ATOM 0 HD1 TYR A 26 -15.628 -1.008 15.239 1.00 43.12 H new ATOM 0 HD2 TYR A 26 -11.587 -0.708 16.555 1.00 64.02 H new ATOM 0 HE1 TYR A 26 -15.964 -2.942 16.705 1.00 3.43 H new ATOM 0 HE2 TYR A 26 -11.935 -2.627 18.043 1.00 4.34 H new ATOM 0 HH TYR A 26 -13.331 -4.186 18.763 1.00 20.20 H new ATOM 195 N ASP A 27 -14.269 -0.899 12.110 1.00 21.31 N ATOM 196 CA ASP A 27 -15.043 -1.970 11.469 1.00 15.24 C ATOM 197 C ASP A 27 -14.146 -2.732 10.516 1.00 50.03 C ATOM 198 O ASP A 27 -14.140 -3.968 10.475 1.00 62.04 O ATOM 199 CB ASP A 27 -16.233 -1.363 10.713 1.00 74.00 C ATOM 200 CG ASP A 27 -17.334 -2.351 10.422 1.00 32.20 C ATOM 201 OD1 ASP A 27 -17.479 -2.819 9.271 1.00 52.11 O ATOM 202 OD2 ASP A 27 -18.113 -2.654 11.346 1.00 42.33 O ATOM 0 H ASP A 27 -14.598 0.041 11.889 1.00 21.31 H new ATOM 0 HA ASP A 27 -15.423 -2.656 12.226 1.00 15.24 H new ATOM 0 HB2 ASP A 27 -16.642 -0.539 11.298 1.00 74.00 H new ATOM 0 HB3 ASP A 27 -15.878 -0.941 9.773 1.00 74.00 H new ATOM 207 N PHE A 28 -13.352 -1.959 9.821 1.00 33.10 N ATOM 208 CA PHE A 28 -12.363 -2.409 8.869 1.00 22.43 C ATOM 209 C PHE A 28 -11.287 -3.229 9.576 1.00 21.52 C ATOM 210 O PHE A 28 -11.057 -4.377 9.238 1.00 1.11 O ATOM 211 CB PHE A 28 -11.800 -1.135 8.226 1.00 64.14 C ATOM 212 CG PHE A 28 -10.610 -1.223 7.322 1.00 43.43 C ATOM 213 CD1 PHE A 28 -10.754 -1.328 5.949 1.00 60.34 C ATOM 214 CD2 PHE A 28 -9.344 -1.094 7.847 1.00 10.34 C ATOM 215 CE1 PHE A 28 -9.658 -1.301 5.121 1.00 20.15 C ATOM 216 CE2 PHE A 28 -8.244 -1.087 7.026 1.00 30.43 C ATOM 217 CZ PHE A 28 -8.405 -1.184 5.653 1.00 33.11 C ATOM 0 H PHE A 28 -13.378 -0.943 9.907 1.00 33.10 H new ATOM 0 HA PHE A 28 -12.783 -3.065 8.106 1.00 22.43 H new ATOM 0 HB2 PHE A 28 -12.607 -0.673 7.657 1.00 64.14 H new ATOM 0 HB3 PHE A 28 -11.545 -0.448 9.033 1.00 64.14 H new ATOM 0 HD1 PHE A 28 -11.741 -1.433 5.523 1.00 60.34 H new ATOM 0 HD2 PHE A 28 -9.215 -0.997 8.915 1.00 10.34 H new ATOM 0 HE1 PHE A 28 -9.787 -1.372 4.051 1.00 20.15 H new ATOM 0 HE2 PHE A 28 -7.254 -1.006 7.450 1.00 30.43 H new ATOM 0 HZ PHE A 28 -7.541 -1.167 5.005 1.00 33.11 H new ATOM 227 N ILE A 29 -10.678 -2.654 10.587 1.00 25.42 N ATOM 228 CA ILE A 29 -9.635 -3.336 11.332 1.00 12.04 C ATOM 229 C ILE A 29 -10.174 -4.567 12.061 1.00 33.34 C ATOM 230 O ILE A 29 -9.480 -5.580 12.175 1.00 71.05 O ATOM 231 CB ILE A 29 -8.856 -2.355 12.263 1.00 53.33 C ATOM 232 CG1 ILE A 29 -7.890 -1.479 11.439 1.00 61.12 C ATOM 233 CG2 ILE A 29 -8.121 -3.050 13.414 1.00 2.05 C ATOM 234 CD1 ILE A 29 -6.886 -2.269 10.609 1.00 30.34 C ATOM 0 H ILE A 29 -10.885 -1.711 10.917 1.00 25.42 H new ATOM 0 HA ILE A 29 -8.904 -3.711 10.616 1.00 12.04 H new ATOM 0 HB ILE A 29 -9.606 -1.719 12.732 1.00 53.33 H new ATOM 0 HG12 ILE A 29 -8.473 -0.841 10.774 1.00 61.12 H new ATOM 0 HG13 ILE A 29 -7.346 -0.821 12.117 1.00 61.12 H new ATOM 0 HG21 ILE A 29 -7.603 -2.305 14.018 1.00 2.05 H new ATOM 0 HG22 ILE A 29 -8.840 -3.584 14.035 1.00 2.05 H new ATOM 0 HG23 ILE A 29 -7.396 -3.756 13.009 1.00 2.05 H new ATOM 0 HD11 ILE A 29 -6.245 -1.579 10.060 1.00 30.34 H new ATOM 0 HD12 ILE A 29 -6.275 -2.886 11.268 1.00 30.34 H new ATOM 0 HD13 ILE A 29 -7.419 -2.907 9.904 1.00 30.34 H new ATOM 246 N ASP A 30 -11.416 -4.494 12.494 1.00 75.33 N ATOM 247 CA ASP A 30 -12.100 -5.617 13.122 1.00 54.34 C ATOM 248 C ASP A 30 -12.199 -6.768 12.160 1.00 71.12 C ATOM 249 O ASP A 30 -11.708 -7.849 12.448 1.00 73.35 O ATOM 250 CB ASP A 30 -13.497 -5.196 13.606 1.00 54.14 C ATOM 251 CG ASP A 30 -14.349 -6.338 14.104 1.00 24.23 C ATOM 252 OD1 ASP A 30 -15.102 -6.928 13.303 1.00 13.34 O ATOM 253 OD2 ASP A 30 -14.310 -6.646 15.308 1.00 73.10 O ATOM 0 H ASP A 30 -11.986 -3.651 12.422 1.00 75.33 H new ATOM 0 HA ASP A 30 -11.521 -5.937 13.988 1.00 54.34 H new ATOM 0 HB2 ASP A 30 -13.387 -4.464 14.406 1.00 54.14 H new ATOM 0 HB3 ASP A 30 -14.018 -4.698 12.788 1.00 54.14 H new ATOM 258 N LEU A 31 -12.720 -6.520 10.976 1.00 20.02 N ATOM 259 CA LEU A 31 -12.907 -7.599 10.040 1.00 72.33 C ATOM 260 C LEU A 31 -11.583 -8.095 9.460 1.00 41.22 C ATOM 261 O LEU A 31 -11.470 -9.243 9.058 1.00 65.52 O ATOM 262 CB LEU A 31 -13.970 -7.266 8.991 1.00 71.25 C ATOM 263 CG LEU A 31 -13.805 -5.979 8.197 1.00 52.11 C ATOM 264 CD1 LEU A 31 -12.725 -6.101 7.157 1.00 34.24 C ATOM 265 CD2 LEU A 31 -15.113 -5.561 7.585 1.00 22.23 C ATOM 0 H LEU A 31 -13.015 -5.600 10.648 1.00 20.02 H new ATOM 0 HA LEU A 31 -13.307 -8.450 10.591 1.00 72.33 H new ATOM 0 HB2 LEU A 31 -14.012 -8.093 8.283 1.00 71.25 H new ATOM 0 HB3 LEU A 31 -14.936 -7.228 9.494 1.00 71.25 H new ATOM 0 HG LEU A 31 -13.492 -5.198 8.890 1.00 52.11 H new ATOM 0 HD11 LEU A 31 -12.638 -5.162 6.611 1.00 34.24 H new ATOM 0 HD12 LEU A 31 -11.776 -6.328 7.643 1.00 34.24 H new ATOM 0 HD13 LEU A 31 -12.978 -6.902 6.462 1.00 34.24 H new ATOM 0 HD21 LEU A 31 -14.973 -4.638 7.022 1.00 22.23 H new ATOM 0 HD22 LEU A 31 -15.468 -6.344 6.916 1.00 22.23 H new ATOM 0 HD23 LEU A 31 -15.848 -5.397 8.373 1.00 22.23 H new ATOM 277 N VAL A 32 -10.572 -7.230 9.460 1.00 2.32 N ATOM 278 CA VAL A 32 -9.237 -7.617 9.053 1.00 73.34 C ATOM 279 C VAL A 32 -8.608 -8.540 10.118 1.00 3.34 C ATOM 280 O VAL A 32 -7.779 -9.396 9.808 1.00 25.10 O ATOM 281 CB VAL A 32 -8.332 -6.362 8.788 1.00 65.33 C ATOM 282 CG1 VAL A 32 -6.875 -6.749 8.598 1.00 41.43 C ATOM 283 CG2 VAL A 32 -8.804 -5.628 7.549 1.00 13.11 C ATOM 0 H VAL A 32 -10.660 -6.253 9.740 1.00 2.32 H new ATOM 0 HA VAL A 32 -9.310 -8.166 8.114 1.00 73.34 H new ATOM 0 HB VAL A 32 -8.412 -5.717 9.663 1.00 65.33 H new ATOM 0 HG11 VAL A 32 -6.281 -5.853 8.417 1.00 41.43 H new ATOM 0 HG12 VAL A 32 -6.512 -7.250 9.495 1.00 41.43 H new ATOM 0 HG13 VAL A 32 -6.786 -7.422 7.745 1.00 41.43 H new ATOM 0 HG21 VAL A 32 -8.168 -4.760 7.376 1.00 13.11 H new ATOM 0 HG22 VAL A 32 -8.750 -6.295 6.688 1.00 13.11 H new ATOM 0 HG23 VAL A 32 -9.834 -5.301 7.690 1.00 13.11 H new ATOM 293 N THR A 33 -9.067 -8.419 11.352 1.00 1.14 N ATOM 294 CA THR A 33 -8.521 -9.207 12.433 1.00 73.24 C ATOM 295 C THR A 33 -9.520 -10.272 12.867 1.00 2.11 C ATOM 296 O THR A 33 -9.380 -10.885 13.923 1.00 14.44 O ATOM 297 CB THR A 33 -8.124 -8.303 13.638 1.00 4.01 C ATOM 298 OG1 THR A 33 -9.233 -7.477 14.043 1.00 73.11 O ATOM 299 CG2 THR A 33 -6.940 -7.417 13.281 1.00 24.02 C ATOM 0 H THR A 33 -9.815 -7.782 11.626 1.00 1.14 H new ATOM 0 HA THR A 33 -7.618 -9.701 12.073 1.00 73.24 H new ATOM 0 HB THR A 33 -7.844 -8.957 14.464 1.00 4.01 H new ATOM 0 HG1 THR A 33 -9.375 -6.771 13.379 1.00 73.11 H new ATOM 0 HG21 THR A 33 -6.680 -6.794 14.137 1.00 24.02 H new ATOM 0 HG22 THR A 33 -6.087 -8.040 13.013 1.00 24.02 H new ATOM 0 HG23 THR A 33 -7.203 -6.781 12.436 1.00 24.02 H new ATOM 307 N LYS A 34 -10.535 -10.470 12.040 1.00 53.22 N ATOM 308 CA LYS A 34 -11.585 -11.434 12.308 1.00 2.13 C ATOM 309 C LYS A 34 -11.017 -12.856 12.368 1.00 2.14 C ATOM 310 O LYS A 34 -10.037 -13.176 11.675 1.00 32.42 O ATOM 311 CB LYS A 34 -12.686 -11.333 11.250 1.00 63.42 C ATOM 312 CG LYS A 34 -14.102 -11.435 11.808 1.00 72.01 C ATOM 313 CD LYS A 34 -14.384 -10.284 12.774 1.00 1.10 C ATOM 314 CE LYS A 34 -15.806 -10.302 13.302 1.00 70.12 C ATOM 315 NZ LYS A 34 -16.028 -9.204 14.266 1.00 15.01 N ATOM 0 H LYS A 34 -10.652 -9.964 11.162 1.00 53.22 H new ATOM 0 HA LYS A 34 -12.021 -11.205 13.280 1.00 2.13 H new ATOM 0 HB2 LYS A 34 -12.583 -10.384 10.724 1.00 63.42 H new ATOM 0 HB3 LYS A 34 -12.540 -12.123 10.514 1.00 63.42 H new ATOM 0 HG2 LYS A 34 -14.823 -11.416 10.991 1.00 72.01 H new ATOM 0 HG3 LYS A 34 -14.228 -12.388 12.322 1.00 72.01 H new ATOM 0 HD2 LYS A 34 -13.688 -10.339 13.611 1.00 1.10 H new ATOM 0 HD3 LYS A 34 -14.200 -9.336 12.268 1.00 1.10 H new ATOM 0 HE2 LYS A 34 -16.507 -10.209 12.472 1.00 70.12 H new ATOM 0 HE3 LYS A 34 -16.007 -11.259 13.783 1.00 70.12 H new ATOM 0 HZ1 LYS A 34 -16.953 -9.327 14.725 1.00 15.01 H new ATOM 0 HZ2 LYS A 34 -15.279 -9.218 14.987 1.00 15.01 H new ATOM 0 HZ3 LYS A 34 -16.009 -8.293 13.765 1.00 15.01 H new ATOM 329 N SER A 35 -11.644 -13.668 13.190 1.00 13.51 N ATOM 330 CA SER A 35 -11.248 -15.027 13.505 1.00 64.51 C ATOM 331 C SER A 35 -10.996 -15.924 12.256 1.00 23.43 C ATOM 332 O SER A 35 -11.717 -15.842 11.251 1.00 13.22 O ATOM 333 CB SER A 35 -12.337 -15.613 14.387 1.00 22.53 C ATOM 334 OG SER A 35 -12.650 -14.696 15.442 1.00 11.13 O ATOM 0 H SER A 35 -12.490 -13.385 13.684 1.00 13.51 H new ATOM 0 HA SER A 35 -10.285 -14.999 14.014 1.00 64.51 H new ATOM 0 HB2 SER A 35 -13.228 -15.817 13.794 1.00 22.53 H new ATOM 0 HB3 SER A 35 -12.007 -16.564 14.805 1.00 22.53 H new ATOM 0 HG SER A 35 -13.354 -15.076 16.008 1.00 11.13 H new ATOM 340 N PRO A 36 -9.970 -16.824 12.346 1.00 52.55 N ATOM 341 CA PRO A 36 -9.556 -17.742 11.249 1.00 33.21 C ATOM 342 C PRO A 36 -10.586 -18.820 10.944 1.00 1.45 C ATOM 343 O PRO A 36 -10.407 -19.614 10.029 1.00 51.22 O ATOM 344 CB PRO A 36 -8.286 -18.395 11.791 1.00 33.33 C ATOM 345 CG PRO A 36 -8.435 -18.325 13.265 1.00 51.21 C ATOM 346 CD PRO A 36 -9.113 -17.017 13.539 1.00 53.10 C ATOM 0 HA PRO A 36 -9.427 -17.197 10.314 1.00 33.21 H new ATOM 0 HB2 PRO A 36 -8.193 -19.426 11.450 1.00 33.33 H new ATOM 0 HB3 PRO A 36 -7.393 -17.866 11.456 1.00 33.33 H new ATOM 0 HG2 PRO A 36 -9.028 -19.160 13.639 1.00 51.21 H new ATOM 0 HG3 PRO A 36 -7.465 -18.375 13.760 1.00 51.21 H new ATOM 0 HD2 PRO A 36 -9.701 -17.053 14.456 1.00 53.10 H new ATOM 0 HD3 PRO A 36 -8.393 -16.206 13.653 1.00 53.10 H new ATOM 354 N ASP A 37 -11.624 -18.875 11.766 1.00 21.23 N ATOM 355 CA ASP A 37 -12.734 -19.822 11.586 1.00 10.22 C ATOM 356 C ASP A 37 -13.457 -19.541 10.269 1.00 21.31 C ATOM 357 O ASP A 37 -14.049 -20.432 9.652 1.00 52.31 O ATOM 358 CB ASP A 37 -13.706 -19.724 12.766 1.00 14.24 C ATOM 359 CG ASP A 37 -14.872 -20.688 12.666 1.00 44.03 C ATOM 360 OD1 ASP A 37 -14.656 -21.913 12.757 1.00 30.41 O ATOM 361 OD2 ASP A 37 -16.031 -20.231 12.566 1.00 42.41 O ATOM 0 H ASP A 37 -11.728 -18.268 12.579 1.00 21.23 H new ATOM 0 HA ASP A 37 -12.334 -20.835 11.551 1.00 10.22 H new ATOM 0 HB2 ASP A 37 -13.163 -19.916 13.691 1.00 14.24 H new ATOM 0 HB3 ASP A 37 -14.090 -18.706 12.827 1.00 14.24 H new ATOM 366 N SER A 38 -13.370 -18.309 9.828 1.00 43.22 N ATOM 367 CA SER A 38 -13.917 -17.906 8.562 1.00 65.54 C ATOM 368 C SER A 38 -12.912 -18.294 7.456 1.00 13.51 C ATOM 369 O SER A 38 -11.801 -18.731 7.757 1.00 13.12 O ATOM 370 CB SER A 38 -14.166 -16.380 8.573 1.00 21.44 C ATOM 371 OG SER A 38 -14.695 -15.917 7.338 1.00 75.53 O ATOM 0 H SER A 38 -12.914 -17.556 10.343 1.00 43.22 H new ATOM 0 HA SER A 38 -14.869 -18.403 8.374 1.00 65.54 H new ATOM 0 HB2 SER A 38 -14.857 -16.131 9.379 1.00 21.44 H new ATOM 0 HB3 SER A 38 -13.230 -15.862 8.784 1.00 21.44 H new ATOM 0 HG SER A 38 -14.840 -14.949 7.386 1.00 75.53 H new ATOM 377 N VAL A 39 -13.309 -18.147 6.204 1.00 52.52 N ATOM 378 CA VAL A 39 -12.445 -18.442 5.069 1.00 10.03 C ATOM 379 C VAL A 39 -11.150 -17.632 5.148 1.00 41.33 C ATOM 380 O VAL A 39 -10.043 -18.188 5.001 1.00 42.33 O ATOM 381 CB VAL A 39 -13.178 -18.209 3.690 1.00 74.41 C ATOM 382 CG1 VAL A 39 -13.848 -16.838 3.629 1.00 14.44 C ATOM 383 CG2 VAL A 39 -12.207 -18.358 2.517 1.00 55.30 C ATOM 0 H VAL A 39 -14.239 -17.820 5.943 1.00 52.52 H new ATOM 0 HA VAL A 39 -12.191 -19.501 5.120 1.00 10.03 H new ATOM 0 HB VAL A 39 -13.951 -18.973 3.612 1.00 74.41 H new ATOM 0 HG11 VAL A 39 -14.341 -16.717 2.665 1.00 14.44 H new ATOM 0 HG12 VAL A 39 -14.586 -16.758 4.427 1.00 14.44 H new ATOM 0 HG13 VAL A 39 -13.095 -16.059 3.752 1.00 14.44 H new ATOM 0 HG21 VAL A 39 -12.740 -18.192 1.581 1.00 55.30 H new ATOM 0 HG22 VAL A 39 -11.405 -17.626 2.613 1.00 55.30 H new ATOM 0 HG23 VAL A 39 -11.783 -19.362 2.521 1.00 55.30 H new ATOM 393 N ASN A 40 -11.297 -16.351 5.446 1.00 73.40 N ATOM 394 CA ASN A 40 -10.201 -15.417 5.513 1.00 71.15 C ATOM 395 C ASN A 40 -10.773 -14.051 5.835 1.00 25.23 C ATOM 396 O ASN A 40 -11.820 -13.686 5.316 1.00 4.34 O ATOM 397 CB ASN A 40 -9.440 -15.406 4.165 1.00 44.21 C ATOM 398 CG ASN A 40 -8.280 -14.452 4.108 1.00 50.55 C ATOM 399 OD1 ASN A 40 -7.712 -14.071 5.122 1.00 11.22 O ATOM 400 ND2 ASN A 40 -7.900 -14.108 2.920 1.00 62.33 N ATOM 0 H ASN A 40 -12.203 -15.930 5.651 1.00 73.40 H new ATOM 0 HA ASN A 40 -9.490 -15.704 6.288 1.00 71.15 H new ATOM 0 HB2 ASN A 40 -9.076 -16.413 3.961 1.00 44.21 H new ATOM 0 HB3 ASN A 40 -10.141 -15.153 3.369 1.00 44.21 H new ATOM 0 HD21 ASN A 40 -7.095 -13.494 2.800 1.00 62.33 H new ATOM 0 HD22 ASN A 40 -8.406 -14.451 2.103 1.00 62.33 H new ATOM 407 N SER A 41 -10.104 -13.316 6.694 1.00 1.43 N ATOM 408 CA SER A 41 -10.537 -11.996 7.150 1.00 62.50 C ATOM 409 C SER A 41 -10.615 -10.999 5.955 1.00 42.20 C ATOM 410 O SER A 41 -11.428 -10.051 5.922 1.00 22.24 O ATOM 411 CB SER A 41 -9.504 -11.543 8.163 1.00 25.30 C ATOM 412 OG SER A 41 -9.165 -12.637 9.024 1.00 11.02 O ATOM 0 H SER A 41 -9.223 -13.618 7.110 1.00 1.43 H new ATOM 0 HA SER A 41 -11.533 -12.034 7.591 1.00 62.50 H new ATOM 0 HB2 SER A 41 -8.613 -11.180 7.651 1.00 25.30 H new ATOM 0 HB3 SER A 41 -9.895 -10.712 8.750 1.00 25.30 H new ATOM 0 HG SER A 41 -9.618 -12.528 9.886 1.00 11.02 H new ATOM 418 N GLU A 42 -9.813 -11.286 4.957 1.00 3.53 N ATOM 419 CA GLU A 42 -9.711 -10.532 3.732 1.00 33.33 C ATOM 420 C GLU A 42 -11.034 -10.609 2.960 1.00 3.11 C ATOM 421 O GLU A 42 -11.355 -9.726 2.180 1.00 13.24 O ATOM 422 CB GLU A 42 -8.613 -11.184 2.973 1.00 55.44 C ATOM 423 CG GLU A 42 -8.168 -10.612 1.668 1.00 13.31 C ATOM 424 CD GLU A 42 -7.133 -11.550 1.109 1.00 51.12 C ATOM 425 OE1 GLU A 42 -7.299 -12.073 -0.020 1.00 42.21 O ATOM 426 OE2 GLU A 42 -6.215 -11.877 1.859 1.00 1.02 O ATOM 0 H GLU A 42 -9.185 -12.089 4.979 1.00 3.53 H new ATOM 0 HA GLU A 42 -9.508 -9.475 3.904 1.00 33.33 H new ATOM 0 HB2 GLU A 42 -7.742 -11.217 3.627 1.00 55.44 H new ATOM 0 HB3 GLU A 42 -8.913 -12.216 2.790 1.00 55.44 H new ATOM 0 HG2 GLU A 42 -9.010 -10.513 0.983 1.00 13.31 H new ATOM 0 HG3 GLU A 42 -7.751 -9.615 1.806 1.00 13.31 H new ATOM 433 N HIS A 43 -11.818 -11.659 3.225 1.00 34.15 N ATOM 434 CA HIS A 43 -13.135 -11.821 2.614 1.00 55.22 C ATOM 435 C HIS A 43 -14.043 -10.714 3.088 1.00 65.21 C ATOM 436 O HIS A 43 -14.710 -10.049 2.287 1.00 51.13 O ATOM 437 CB HIS A 43 -13.740 -13.194 2.978 1.00 41.21 C ATOM 438 CG HIS A 43 -15.141 -13.431 2.473 1.00 22.32 C ATOM 439 ND1 HIS A 43 -16.276 -13.253 3.241 1.00 34.31 N ATOM 440 CD2 HIS A 43 -15.574 -13.852 1.263 1.00 13.41 C ATOM 441 CE1 HIS A 43 -17.332 -13.568 2.497 1.00 25.31 C ATOM 442 NE2 HIS A 43 -16.961 -13.938 1.279 1.00 71.43 N ATOM 0 H HIS A 43 -11.559 -12.412 3.863 1.00 34.15 H new ATOM 0 HA HIS A 43 -13.032 -11.771 1.530 1.00 55.22 H new ATOM 0 HB2 HIS A 43 -13.091 -13.976 2.583 1.00 41.21 H new ATOM 0 HB3 HIS A 43 -13.739 -13.298 4.063 1.00 41.21 H new ATOM 0 HD1 HIS A 43 -16.300 -12.935 4.210 1.00 34.31 H new ATOM 0 HD2 HIS A 43 -14.942 -14.084 0.418 1.00 13.41 H new ATOM 0 HE1 HIS A 43 -18.356 -13.528 2.839 1.00 25.31 H new ATOM 450 N GLU A 44 -14.013 -10.481 4.382 1.00 71.30 N ATOM 451 CA GLU A 44 -14.828 -9.496 4.994 1.00 32.32 C ATOM 452 C GLU A 44 -14.316 -8.138 4.586 1.00 60.42 C ATOM 453 O GLU A 44 -15.077 -7.197 4.457 1.00 32.13 O ATOM 454 CB GLU A 44 -14.745 -9.670 6.489 1.00 0.12 C ATOM 455 CG GLU A 44 -15.043 -11.086 6.953 1.00 73.34 C ATOM 456 CD GLU A 44 -16.463 -11.517 6.688 1.00 53.41 C ATOM 457 OE1 GLU A 44 -17.384 -11.047 7.397 1.00 63.11 O ATOM 458 OE2 GLU A 44 -16.690 -12.367 5.788 1.00 64.53 O ATOM 0 H GLU A 44 -13.410 -10.985 5.032 1.00 71.30 H new ATOM 0 HA GLU A 44 -15.868 -9.593 4.684 1.00 32.32 H new ATOM 0 HB2 GLU A 44 -13.747 -9.389 6.824 1.00 0.12 H new ATOM 0 HB3 GLU A 44 -15.446 -8.985 6.966 1.00 0.12 H new ATOM 0 HG2 GLU A 44 -14.363 -11.775 6.452 1.00 73.34 H new ATOM 0 HG3 GLU A 44 -14.842 -11.160 8.022 1.00 73.34 H new ATOM 465 N LEU A 45 -13.006 -8.051 4.369 1.00 72.12 N ATOM 466 CA LEU A 45 -12.409 -6.835 3.900 1.00 51.23 C ATOM 467 C LEU A 45 -12.863 -6.514 2.481 1.00 72.52 C ATOM 468 O LEU A 45 -13.263 -5.391 2.199 1.00 14.14 O ATOM 469 CB LEU A 45 -10.894 -6.898 3.977 1.00 4.53 C ATOM 470 CG LEU A 45 -10.197 -5.609 3.597 1.00 44.20 C ATOM 471 CD1 LEU A 45 -10.609 -4.495 4.530 1.00 14.20 C ATOM 472 CD2 LEU A 45 -8.689 -5.780 3.554 1.00 74.13 C ATOM 0 H LEU A 45 -12.349 -8.818 4.515 1.00 72.12 H new ATOM 0 HA LEU A 45 -12.745 -6.031 4.555 1.00 51.23 H new ATOM 0 HB2 LEU A 45 -10.604 -7.168 4.992 1.00 4.53 H new ATOM 0 HB3 LEU A 45 -10.541 -7.695 3.322 1.00 4.53 H new ATOM 0 HG LEU A 45 -10.509 -5.337 2.589 1.00 44.20 H new ATOM 0 HD11 LEU A 45 -10.100 -3.574 4.245 1.00 14.20 H new ATOM 0 HD12 LEU A 45 -11.687 -4.348 4.467 1.00 14.20 H new ATOM 0 HD13 LEU A 45 -10.338 -4.758 5.552 1.00 14.20 H new ATOM 0 HD21 LEU A 45 -8.223 -4.834 3.278 1.00 74.13 H new ATOM 0 HD22 LEU A 45 -8.330 -6.088 4.536 1.00 74.13 H new ATOM 0 HD23 LEU A 45 -8.430 -6.541 2.817 1.00 74.13 H new ATOM 484 N ALA A 46 -12.826 -7.507 1.609 1.00 20.03 N ATOM 485 CA ALA A 46 -13.263 -7.351 0.227 1.00 32.13 C ATOM 486 C ALA A 46 -14.735 -6.979 0.184 1.00 53.32 C ATOM 487 O ALA A 46 -15.174 -6.201 -0.661 1.00 55.14 O ATOM 488 CB ALA A 46 -13.011 -8.628 -0.563 1.00 54.13 C ATOM 0 H ALA A 46 -12.493 -8.444 1.836 1.00 20.03 H new ATOM 0 HA ALA A 46 -12.686 -6.548 -0.232 1.00 32.13 H new ATOM 0 HB1 ALA A 46 -13.344 -8.491 -1.592 1.00 54.13 H new ATOM 0 HB2 ALA A 46 -11.945 -8.857 -0.554 1.00 54.13 H new ATOM 0 HB3 ALA A 46 -13.563 -9.451 -0.110 1.00 54.13 H new ATOM 494 N HIS A 47 -15.473 -7.510 1.119 1.00 72.02 N ATOM 495 CA HIS A 47 -16.890 -7.235 1.240 1.00 44.14 C ATOM 496 C HIS A 47 -17.096 -5.806 1.781 1.00 60.52 C ATOM 497 O HIS A 47 -18.012 -5.100 1.365 1.00 23.24 O ATOM 498 CB HIS A 47 -17.548 -8.288 2.153 1.00 71.13 C ATOM 499 CG HIS A 47 -19.043 -8.212 2.235 1.00 41.23 C ATOM 500 ND1 HIS A 47 -19.725 -7.806 3.352 1.00 52.22 N ATOM 501 CD2 HIS A 47 -19.985 -8.541 1.320 1.00 72.05 C ATOM 502 CE1 HIS A 47 -21.027 -7.896 3.106 1.00 24.44 C ATOM 503 NE2 HIS A 47 -21.247 -8.340 1.876 1.00 70.32 N ATOM 0 H HIS A 47 -15.112 -8.151 1.826 1.00 72.02 H new ATOM 0 HA HIS A 47 -17.366 -7.296 0.261 1.00 44.14 H new ATOM 0 HB2 HIS A 47 -17.269 -9.280 1.798 1.00 71.13 H new ATOM 0 HB3 HIS A 47 -17.138 -8.182 3.158 1.00 71.13 H new ATOM 0 HD2 HIS A 47 -19.790 -8.901 0.321 1.00 72.05 H new ATOM 0 HE1 HIS A 47 -21.803 -7.642 3.813 1.00 24.44 H new ATOM 0 HE2 HIS A 47 -22.150 -8.501 1.430 1.00 70.32 H new ATOM 511 N PHE A 48 -16.198 -5.379 2.657 1.00 0.05 N ATOM 512 CA PHE A 48 -16.224 -4.063 3.264 1.00 30.10 C ATOM 513 C PHE A 48 -15.978 -2.999 2.217 1.00 1.42 C ATOM 514 O PHE A 48 -16.708 -2.009 2.128 1.00 12.35 O ATOM 515 CB PHE A 48 -15.123 -3.997 4.337 1.00 75.34 C ATOM 516 CG PHE A 48 -14.897 -2.647 4.951 1.00 23.20 C ATOM 517 CD1 PHE A 48 -15.540 -2.285 6.105 1.00 21.42 C ATOM 518 CD2 PHE A 48 -14.034 -1.747 4.360 1.00 51.30 C ATOM 519 CE1 PHE A 48 -15.335 -1.047 6.666 1.00 4.12 C ATOM 520 CE2 PHE A 48 -13.823 -0.511 4.908 1.00 61.30 C ATOM 521 CZ PHE A 48 -14.473 -0.161 6.062 1.00 10.51 C ATOM 0 H PHE A 48 -15.415 -5.953 2.970 1.00 0.05 H new ATOM 0 HA PHE A 48 -17.201 -3.887 3.715 1.00 30.10 H new ATOM 0 HB2 PHE A 48 -15.372 -4.701 5.131 1.00 75.34 H new ATOM 0 HB3 PHE A 48 -14.187 -4.336 3.893 1.00 75.34 H new ATOM 0 HD1 PHE A 48 -16.216 -2.981 6.580 1.00 21.42 H new ATOM 0 HD2 PHE A 48 -13.518 -2.022 3.452 1.00 51.30 H new ATOM 0 HE1 PHE A 48 -15.848 -0.771 7.576 1.00 4.12 H new ATOM 0 HE2 PHE A 48 -13.147 0.185 4.433 1.00 61.30 H new ATOM 0 HZ PHE A 48 -14.308 0.813 6.499 1.00 10.51 H new ATOM 531 N LEU A 49 -14.948 -3.215 1.428 1.00 15.52 N ATOM 532 CA LEU A 49 -14.526 -2.263 0.427 1.00 60.11 C ATOM 533 C LEU A 49 -15.369 -2.353 -0.822 1.00 14.41 C ATOM 534 O LEU A 49 -15.167 -1.600 -1.732 1.00 53.21 O ATOM 535 CB LEU A 49 -13.025 -2.437 0.120 1.00 44.51 C ATOM 536 CG LEU A 49 -12.577 -3.816 -0.396 1.00 13.33 C ATOM 537 CD1 LEU A 49 -12.877 -4.016 -1.874 1.00 21.23 C ATOM 538 CD2 LEU A 49 -11.123 -4.050 -0.099 1.00 31.54 C ATOM 0 H LEU A 49 -14.378 -4.060 1.464 1.00 15.52 H new ATOM 0 HA LEU A 49 -14.674 -1.261 0.829 1.00 60.11 H new ATOM 0 HB2 LEU A 49 -12.741 -1.689 -0.620 1.00 44.51 H new ATOM 0 HB3 LEU A 49 -12.465 -2.216 1.028 1.00 44.51 H new ATOM 0 HG LEU A 49 -13.164 -4.561 0.141 1.00 13.33 H new ATOM 0 HD11 LEU A 49 -12.540 -5.005 -2.183 1.00 21.23 H new ATOM 0 HD12 LEU A 49 -13.950 -3.930 -2.042 1.00 21.23 H new ATOM 0 HD13 LEU A 49 -12.356 -3.257 -2.457 1.00 21.23 H new ATOM 0 HD21 LEU A 49 -10.829 -5.031 -0.473 1.00 31.54 H new ATOM 0 HD22 LEU A 49 -10.524 -3.281 -0.586 1.00 31.54 H new ATOM 0 HD23 LEU A 49 -10.960 -4.008 0.978 1.00 31.54 H new ATOM 550 N GLY A 50 -16.292 -3.297 -0.841 1.00 64.14 N ATOM 551 CA GLY A 50 -17.220 -3.482 -1.970 1.00 32.14 C ATOM 552 C GLY A 50 -17.782 -2.164 -2.526 1.00 31.31 C ATOM 553 O GLY A 50 -17.562 -1.847 -3.693 1.00 32.04 O ATOM 0 H GLY A 50 -16.429 -3.963 -0.081 1.00 64.14 H new ATOM 0 HA2 GLY A 50 -16.705 -4.014 -2.770 1.00 32.14 H new ATOM 0 HA3 GLY A 50 -18.048 -4.114 -1.649 1.00 32.14 H new ATOM 557 N PRO A 51 -18.505 -1.373 -1.712 1.00 63.20 N ATOM 558 CA PRO A 51 -19.012 -0.071 -2.133 1.00 64.53 C ATOM 559 C PRO A 51 -17.941 1.048 -2.062 1.00 24.35 C ATOM 560 O PRO A 51 -18.174 2.173 -2.522 1.00 12.23 O ATOM 561 CB PRO A 51 -20.146 0.221 -1.126 1.00 72.52 C ATOM 562 CG PRO A 51 -20.269 -1.001 -0.271 1.00 23.51 C ATOM 563 CD PRO A 51 -18.955 -1.704 -0.354 1.00 74.13 C ATOM 0 HA PRO A 51 -19.333 -0.091 -3.175 1.00 64.53 H new ATOM 0 HB2 PRO A 51 -19.914 1.098 -0.521 1.00 72.52 H new ATOM 0 HB3 PRO A 51 -21.082 0.430 -1.644 1.00 72.52 H new ATOM 0 HG2 PRO A 51 -20.502 -0.733 0.759 1.00 23.51 H new ATOM 0 HG3 PRO A 51 -21.076 -1.643 -0.624 1.00 23.51 H new ATOM 0 HD2 PRO A 51 -18.256 -1.349 0.403 1.00 74.13 H new ATOM 0 HD3 PRO A 51 -19.060 -2.780 -0.212 1.00 74.13 H new ATOM 571 N HIS A 52 -16.771 0.733 -1.534 1.00 43.43 N ATOM 572 CA HIS A 52 -15.731 1.744 -1.295 1.00 33.43 C ATOM 573 C HIS A 52 -14.499 1.451 -2.142 1.00 54.34 C ATOM 574 O HIS A 52 -13.406 1.918 -1.819 1.00 64.42 O ATOM 575 CB HIS A 52 -15.288 1.736 0.191 1.00 22.41 C ATOM 576 CG HIS A 52 -16.350 2.030 1.218 1.00 0.44 C ATOM 577 ND1 HIS A 52 -16.483 3.239 1.869 1.00 52.22 N ATOM 578 CD2 HIS A 52 -17.300 1.225 1.744 1.00 54.22 C ATOM 579 CE1 HIS A 52 -17.476 3.132 2.748 1.00 13.55 C ATOM 580 NE2 HIS A 52 -18.010 1.926 2.713 1.00 30.43 N ATOM 0 H HIS A 52 -16.508 -0.213 -1.259 1.00 43.43 H new ATOM 0 HA HIS A 52 -16.155 2.713 -1.558 1.00 33.43 H new ATOM 0 HB2 HIS A 52 -14.862 0.758 0.413 1.00 22.41 H new ATOM 0 HB3 HIS A 52 -14.488 2.467 0.311 1.00 22.41 H new ATOM 0 HD1 HIS A 52 -15.917 4.072 1.705 1.00 52.22 H new ATOM 0 HD2 HIS A 52 -17.479 0.199 1.457 1.00 54.22 H new ATOM 0 HE1 HIS A 52 -17.802 3.927 3.403 1.00 13.55 H new ATOM 588 N ASP A 53 -14.681 0.707 -3.227 1.00 62.14 N ATOM 589 CA ASP A 53 -13.594 0.223 -4.025 1.00 44.41 C ATOM 590 C ASP A 53 -12.817 1.352 -4.730 1.00 44.14 C ATOM 591 O ASP A 53 -13.398 2.151 -5.506 1.00 71.34 O ATOM 592 CB ASP A 53 -14.142 -0.762 -5.019 1.00 51.32 C ATOM 593 CG ASP A 53 -13.073 -1.482 -5.737 1.00 61.11 C ATOM 594 OD1 ASP A 53 -12.676 -1.024 -6.834 1.00 74.21 O ATOM 595 OD2 ASP A 53 -12.657 -2.558 -5.255 1.00 0.42 O ATOM 0 H ASP A 53 -15.601 0.428 -3.569 1.00 62.14 H new ATOM 0 HA ASP A 53 -12.871 -0.262 -3.369 1.00 44.41 H new ATOM 0 HB2 ASP A 53 -14.778 -1.481 -4.503 1.00 51.32 H new ATOM 0 HB3 ASP A 53 -14.771 -0.238 -5.738 1.00 51.32 H new ATOM 600 N PRO A 54 -11.511 1.465 -4.437 1.00 73.13 N ATOM 601 CA PRO A 54 -10.631 2.479 -4.997 1.00 22.14 C ATOM 602 C PRO A 54 -9.682 1.899 -6.083 1.00 33.12 C ATOM 603 O PRO A 54 -10.044 0.999 -6.835 1.00 70.44 O ATOM 604 CB PRO A 54 -9.831 2.815 -3.747 1.00 23.14 C ATOM 605 CG PRO A 54 -9.578 1.479 -3.112 1.00 64.54 C ATOM 606 CD PRO A 54 -10.770 0.617 -3.470 1.00 14.54 C ATOM 0 HA PRO A 54 -11.147 3.303 -5.490 1.00 22.14 H new ATOM 0 HB2 PRO A 54 -8.899 3.323 -3.994 1.00 23.14 H new ATOM 0 HB3 PRO A 54 -10.388 3.475 -3.082 1.00 23.14 H new ATOM 0 HG2 PRO A 54 -8.652 1.039 -3.483 1.00 64.54 H new ATOM 0 HG3 PRO A 54 -9.475 1.574 -2.031 1.00 64.54 H new ATOM 0 HD2 PRO A 54 -10.465 -0.331 -3.914 1.00 14.54 H new ATOM 0 HD3 PRO A 54 -11.374 0.379 -2.595 1.00 14.54 H new ATOM 614 N GLU A 55 -8.497 2.469 -6.197 1.00 44.15 N ATOM 615 CA GLU A 55 -7.469 1.918 -7.054 1.00 64.24 C ATOM 616 C GLU A 55 -6.713 0.905 -6.268 1.00 4.20 C ATOM 617 O GLU A 55 -6.242 1.203 -5.157 1.00 51.53 O ATOM 618 CB GLU A 55 -6.539 3.005 -7.550 1.00 35.35 C ATOM 619 CG GLU A 55 -7.210 4.009 -8.446 1.00 42.33 C ATOM 620 CD GLU A 55 -6.279 5.078 -8.894 1.00 32.34 C ATOM 621 OE1 GLU A 55 -5.581 4.896 -9.920 1.00 31.14 O ATOM 622 OE2 GLU A 55 -6.217 6.128 -8.235 1.00 61.42 O ATOM 0 H GLU A 55 -8.223 3.318 -5.703 1.00 44.15 H new ATOM 0 HA GLU A 55 -7.924 1.456 -7.930 1.00 64.24 H new ATOM 0 HB2 GLU A 55 -6.111 3.525 -6.693 1.00 35.35 H new ATOM 0 HB3 GLU A 55 -5.711 2.545 -8.090 1.00 35.35 H new ATOM 0 HG2 GLU A 55 -7.619 3.498 -9.318 1.00 42.33 H new ATOM 0 HG3 GLU A 55 -8.050 4.460 -7.917 1.00 42.33 H new ATOM 629 N ILE A 56 -6.614 -0.281 -6.789 1.00 61.33 N ATOM 630 CA ILE A 56 -5.977 -1.330 -6.081 1.00 71.54 C ATOM 631 C ILE A 56 -4.661 -1.570 -6.752 1.00 64.00 C ATOM 632 O ILE A 56 -4.623 -1.922 -7.869 1.00 44.14 O ATOM 633 CB ILE A 56 -6.861 -2.598 -6.129 1.00 43.13 C ATOM 634 CG1 ILE A 56 -8.249 -2.278 -5.525 1.00 44.41 C ATOM 635 CG2 ILE A 56 -6.182 -3.719 -5.355 1.00 72.45 C ATOM 636 CD1 ILE A 56 -9.359 -3.238 -5.908 1.00 15.41 C ATOM 0 H ILE A 56 -6.972 -0.539 -7.709 1.00 61.33 H new ATOM 0 HA ILE A 56 -5.825 -1.073 -5.033 1.00 71.54 H new ATOM 0 HB ILE A 56 -6.995 -2.920 -7.162 1.00 43.13 H new ATOM 0 HG12 ILE A 56 -8.160 -2.266 -4.439 1.00 44.41 H new ATOM 0 HG13 ILE A 56 -8.538 -1.273 -5.833 1.00 44.41 H new ATOM 0 HG21 ILE A 56 -6.805 -4.613 -5.388 1.00 72.45 H new ATOM 0 HG22 ILE A 56 -5.212 -3.935 -5.803 1.00 72.45 H new ATOM 0 HG23 ILE A 56 -6.042 -3.413 -4.318 1.00 72.45 H new ATOM 0 HD11 ILE A 56 -10.290 -2.926 -5.434 1.00 15.41 H new ATOM 0 HD12 ILE A 56 -9.485 -3.235 -6.991 1.00 15.41 H new ATOM 0 HD13 ILE A 56 -9.101 -4.243 -5.575 1.00 15.41 H new ATOM 648 N TYR A 57 -3.608 -1.294 -6.106 1.00 34.41 N ATOM 649 CA TYR A 57 -2.323 -1.469 -6.697 1.00 12.43 C ATOM 650 C TYR A 57 -1.736 -2.739 -6.241 1.00 41.14 C ATOM 651 O TYR A 57 -1.831 -3.069 -5.101 1.00 54.45 O ATOM 652 CB TYR A 57 -1.421 -0.305 -6.355 1.00 34.22 C ATOM 653 CG TYR A 57 -1.917 0.986 -6.929 1.00 1.13 C ATOM 654 CD1 TYR A 57 -2.652 1.881 -6.165 1.00 24.15 C ATOM 655 CD2 TYR A 57 -1.670 1.302 -8.242 1.00 54.10 C ATOM 656 CE1 TYR A 57 -3.109 3.057 -6.705 1.00 74.43 C ATOM 657 CE2 TYR A 57 -2.129 2.473 -8.785 1.00 32.32 C ATOM 658 CZ TYR A 57 -2.844 3.348 -8.015 1.00 65.40 C ATOM 659 OH TYR A 57 -3.293 4.533 -8.556 1.00 41.51 O ATOM 0 H TYR A 57 -3.595 -0.939 -5.150 1.00 34.41 H new ATOM 0 HA TYR A 57 -2.430 -1.503 -7.781 1.00 12.43 H new ATOM 0 HB2 TYR A 57 -1.345 -0.213 -5.272 1.00 34.22 H new ATOM 0 HB3 TYR A 57 -0.417 -0.504 -6.729 1.00 34.22 H new ATOM 0 HD1 TYR A 57 -2.867 1.649 -5.132 1.00 24.15 H new ATOM 0 HD2 TYR A 57 -1.105 0.617 -8.856 1.00 54.10 H new ATOM 0 HE1 TYR A 57 -3.675 3.749 -6.099 1.00 74.43 H new ATOM 0 HE2 TYR A 57 -1.926 2.705 -9.820 1.00 32.32 H new ATOM 0 HH TYR A 57 -3.922 4.343 -9.283 1.00 41.51 H new ATOM 669 N VAL A 58 -1.183 -3.473 -7.138 1.00 74.43 N ATOM 670 CA VAL A 58 -0.543 -4.711 -6.812 1.00 12.30 C ATOM 671 C VAL A 58 0.783 -4.762 -7.502 1.00 74.13 C ATOM 672 O VAL A 58 0.858 -4.749 -8.738 1.00 60.34 O ATOM 673 CB VAL A 58 -1.401 -5.946 -7.181 1.00 62.35 C ATOM 674 CG1 VAL A 58 -0.628 -7.250 -6.984 1.00 12.13 C ATOM 675 CG2 VAL A 58 -2.653 -5.986 -6.347 1.00 52.43 C ATOM 0 H VAL A 58 -1.158 -3.236 -8.130 1.00 74.43 H new ATOM 0 HA VAL A 58 -0.409 -4.750 -5.731 1.00 12.30 H new ATOM 0 HB VAL A 58 -1.662 -5.852 -8.235 1.00 62.35 H new ATOM 0 HG11 VAL A 58 -1.263 -8.094 -7.253 1.00 12.13 H new ATOM 0 HG12 VAL A 58 0.259 -7.247 -7.618 1.00 12.13 H new ATOM 0 HG13 VAL A 58 -0.327 -7.341 -5.940 1.00 12.13 H new ATOM 0 HG21 VAL A 58 -3.244 -6.860 -6.620 1.00 52.43 H new ATOM 0 HG22 VAL A 58 -2.386 -6.043 -5.292 1.00 52.43 H new ATOM 0 HG23 VAL A 58 -3.237 -5.083 -6.525 1.00 52.43 H new ATOM 685 N ASN A 59 1.817 -4.740 -6.691 1.00 24.15 N ATOM 686 CA ASN A 59 3.230 -4.792 -7.108 1.00 3.43 C ATOM 687 C ASN A 59 3.602 -3.605 -7.983 1.00 52.42 C ATOM 688 O ASN A 59 4.550 -3.662 -8.761 1.00 61.13 O ATOM 689 CB ASN A 59 3.560 -6.115 -7.820 1.00 72.22 C ATOM 690 CG ASN A 59 3.284 -7.328 -6.955 1.00 22.05 C ATOM 691 OD1 ASN A 59 3.337 -7.268 -5.721 1.00 13.42 O ATOM 692 ND2 ASN A 59 2.992 -8.431 -7.579 1.00 51.20 N ATOM 0 H ASN A 59 1.709 -4.683 -5.678 1.00 24.15 H new ATOM 0 HA ASN A 59 3.830 -4.739 -6.200 1.00 3.43 H new ATOM 0 HB2 ASN A 59 2.974 -6.186 -8.736 1.00 72.22 H new ATOM 0 HB3 ASN A 59 4.610 -6.114 -8.113 1.00 72.22 H new ATOM 0 HD21 ASN A 59 2.798 -9.281 -7.049 1.00 51.20 H new ATOM 0 HD22 ASN A 59 2.957 -8.446 -8.598 1.00 51.20 H new ATOM 699 N GLY A 60 2.869 -2.516 -7.822 1.00 10.33 N ATOM 700 CA GLY A 60 3.136 -1.324 -8.590 1.00 43.54 C ATOM 701 C GLY A 60 2.232 -1.194 -9.796 1.00 21.45 C ATOM 702 O GLY A 60 2.357 -0.254 -10.569 1.00 34.34 O ATOM 0 H GLY A 60 2.090 -2.438 -7.169 1.00 10.33 H new ATOM 0 HA2 GLY A 60 3.012 -0.449 -7.951 1.00 43.54 H new ATOM 0 HA3 GLY A 60 4.175 -1.333 -8.919 1.00 43.54 H new ATOM 706 N LYS A 61 1.320 -2.125 -9.964 1.00 54.32 N ATOM 707 CA LYS A 61 0.413 -2.088 -11.082 1.00 70.22 C ATOM 708 C LYS A 61 -0.986 -1.856 -10.619 1.00 35.41 C ATOM 709 O LYS A 61 -1.422 -2.454 -9.637 1.00 65.10 O ATOM 710 CB LYS A 61 0.510 -3.351 -11.939 1.00 63.23 C ATOM 711 CG LYS A 61 1.752 -3.427 -12.829 1.00 1.25 C ATOM 712 CD LYS A 61 1.780 -2.296 -13.875 1.00 34.43 C ATOM 713 CE LYS A 61 0.536 -2.320 -14.770 1.00 0.33 C ATOM 714 NZ LYS A 61 0.525 -1.227 -15.766 1.00 23.23 N ATOM 0 H LYS A 61 1.189 -2.918 -9.337 1.00 54.32 H new ATOM 0 HA LYS A 61 0.707 -1.251 -11.715 1.00 70.22 H new ATOM 0 HB2 LYS A 61 0.497 -4.221 -11.282 1.00 63.23 H new ATOM 0 HB3 LYS A 61 -0.377 -3.414 -12.570 1.00 63.23 H new ATOM 0 HG2 LYS A 61 2.647 -3.370 -12.209 1.00 1.25 H new ATOM 0 HG3 LYS A 61 1.776 -4.391 -13.336 1.00 1.25 H new ATOM 0 HD2 LYS A 61 1.845 -1.333 -13.368 1.00 34.43 H new ATOM 0 HD3 LYS A 61 2.674 -2.393 -14.492 1.00 34.43 H new ATOM 0 HE2 LYS A 61 0.485 -3.278 -15.288 1.00 0.33 H new ATOM 0 HE3 LYS A 61 -0.355 -2.247 -14.147 1.00 0.33 H new ATOM 0 HZ1 LYS A 61 -0.338 -1.292 -16.343 1.00 23.23 H new ATOM 0 HZ2 LYS A 61 0.545 -0.310 -15.276 1.00 23.23 H new ATOM 0 HZ3 LYS A 61 1.360 -1.309 -16.381 1.00 23.23 H new ATOM 728 N ILE A 62 -1.671 -0.981 -11.302 1.00 63.23 N ATOM 729 CA ILE A 62 -3.018 -0.633 -10.967 1.00 21.02 C ATOM 730 C ILE A 62 -3.950 -1.788 -11.382 1.00 4.41 C ATOM 731 O ILE A 62 -3.872 -2.318 -12.497 1.00 10.24 O ATOM 732 CB ILE A 62 -3.411 0.760 -11.620 1.00 52.53 C ATOM 733 CG1 ILE A 62 -4.614 1.463 -10.915 1.00 14.23 C ATOM 734 CG2 ILE A 62 -3.653 0.647 -13.118 1.00 53.42 C ATOM 735 CD1 ILE A 62 -5.957 0.803 -11.051 1.00 0.05 C ATOM 0 H ILE A 62 -1.303 -0.486 -12.115 1.00 63.23 H new ATOM 0 HA ILE A 62 -3.123 -0.497 -9.891 1.00 21.02 H new ATOM 0 HB ILE A 62 -2.542 1.399 -11.465 1.00 52.53 H new ATOM 0 HG12 ILE A 62 -4.383 1.548 -9.853 1.00 14.23 H new ATOM 0 HG13 ILE A 62 -4.692 2.477 -11.307 1.00 14.23 H new ATOM 0 HG21 ILE A 62 -3.919 1.625 -13.518 1.00 53.42 H new ATOM 0 HG22 ILE A 62 -2.747 0.289 -13.607 1.00 53.42 H new ATOM 0 HG23 ILE A 62 -4.467 -0.054 -13.303 1.00 53.42 H new ATOM 0 HD11 ILE A 62 -6.706 1.389 -10.518 1.00 0.05 H new ATOM 0 HD12 ILE A 62 -6.227 0.742 -12.105 1.00 0.05 H new ATOM 0 HD13 ILE A 62 -5.913 -0.201 -10.629 1.00 0.05 H new ATOM 747 N GLN A 63 -4.744 -2.205 -10.463 1.00 32.35 N ATOM 748 CA GLN A 63 -5.688 -3.262 -10.624 1.00 42.31 C ATOM 749 C GLN A 63 -7.056 -2.694 -10.297 1.00 1.03 C ATOM 750 O GLN A 63 -7.191 -1.810 -9.379 1.00 22.05 O ATOM 751 CB GLN A 63 -5.411 -4.397 -9.619 1.00 2.21 C ATOM 752 CG GLN A 63 -3.970 -4.879 -9.544 1.00 74.10 C ATOM 753 CD GLN A 63 -3.443 -5.438 -10.836 1.00 71.42 C ATOM 754 OE1 GLN A 63 -4.188 -5.977 -11.647 1.00 33.55 O ATOM 755 NE2 GLN A 63 -2.157 -5.331 -11.027 1.00 50.33 N ATOM 0 H GLN A 63 -4.757 -1.799 -9.527 1.00 32.35 H new ATOM 0 HA GLN A 63 -5.626 -3.654 -11.639 1.00 42.31 H new ATOM 0 HB2 GLN A 63 -5.714 -4.060 -8.627 1.00 2.21 H new ATOM 0 HB3 GLN A 63 -6.045 -5.246 -9.875 1.00 2.21 H new ATOM 0 HG2 GLN A 63 -3.336 -4.048 -9.234 1.00 74.10 H new ATOM 0 HG3 GLN A 63 -3.894 -5.644 -8.771 1.00 74.10 H new ATOM 0 HE21 GLN A 63 -1.573 -4.875 -10.326 1.00 50.33 H new ATOM 0 HE22 GLN A 63 -1.735 -5.704 -11.878 1.00 50.33 H new ATOM 764 N THR A 64 -8.046 -3.145 -11.017 1.00 61.03 N ATOM 765 CA THR A 64 -9.391 -2.748 -10.751 1.00 72.31 C ATOM 766 C THR A 64 -10.006 -3.776 -9.781 1.00 61.42 C ATOM 767 O THR A 64 -9.370 -4.818 -9.500 1.00 72.21 O ATOM 768 CB THR A 64 -10.220 -2.619 -12.076 1.00 63.01 C ATOM 769 OG1 THR A 64 -11.507 -2.038 -11.813 1.00 35.35 O ATOM 770 CG2 THR A 64 -10.416 -3.968 -12.746 1.00 32.21 C ATOM 0 H THR A 64 -7.940 -3.793 -11.798 1.00 61.03 H new ATOM 0 HA THR A 64 -9.408 -1.760 -10.291 1.00 72.31 H new ATOM 0 HB THR A 64 -9.653 -1.973 -12.746 1.00 63.01 H new ATOM 0 HG1 THR A 64 -12.010 -1.964 -12.651 1.00 35.35 H new ATOM 0 HG21 THR A 64 -10.995 -3.839 -13.661 1.00 32.21 H new ATOM 0 HG22 THR A 64 -9.444 -4.398 -12.989 1.00 32.21 H new ATOM 0 HG23 THR A 64 -10.950 -4.636 -12.070 1.00 32.21 H new ATOM 778 N THR A 65 -11.216 -3.510 -9.296 1.00 65.51 N ATOM 779 CA THR A 65 -11.878 -4.365 -8.323 1.00 3.21 C ATOM 780 C THR A 65 -12.048 -5.792 -8.849 1.00 1.32 C ATOM 781 O THR A 65 -11.944 -6.755 -8.096 1.00 54.13 O ATOM 782 CB THR A 65 -13.239 -3.763 -7.831 1.00 22.24 C ATOM 783 OG1 THR A 65 -13.739 -4.492 -6.721 1.00 1.40 O ATOM 784 CG2 THR A 65 -14.304 -3.660 -8.908 1.00 30.05 C ATOM 0 H THR A 65 -11.763 -2.694 -9.569 1.00 65.51 H new ATOM 0 HA THR A 65 -11.224 -4.414 -7.452 1.00 3.21 H new ATOM 0 HB THR A 65 -13.010 -2.740 -7.534 1.00 22.24 H new ATOM 0 HG1 THR A 65 -13.503 -4.027 -5.891 1.00 1.40 H new ATOM 0 HG21 THR A 65 -15.212 -3.234 -8.482 1.00 30.05 H new ATOM 0 HG22 THR A 65 -13.946 -3.019 -9.714 1.00 30.05 H new ATOM 0 HG23 THR A 65 -14.520 -4.653 -9.303 1.00 30.05 H new ATOM 792 N THR A 66 -12.232 -5.908 -10.153 1.00 12.12 N ATOM 793 CA THR A 66 -12.376 -7.179 -10.816 1.00 52.02 C ATOM 794 C THR A 66 -11.103 -8.032 -10.612 1.00 41.23 C ATOM 795 O THR A 66 -11.169 -9.175 -10.161 1.00 2.02 O ATOM 796 CB THR A 66 -12.575 -6.921 -12.309 1.00 23.23 C ATOM 797 OG1 THR A 66 -13.537 -5.864 -12.480 1.00 2.44 O ATOM 798 CG2 THR A 66 -13.061 -8.167 -13.008 1.00 74.24 C ATOM 0 H THR A 66 -12.285 -5.108 -10.783 1.00 12.12 H new ATOM 0 HA THR A 66 -13.229 -7.716 -10.402 1.00 52.02 H new ATOM 0 HB THR A 66 -11.620 -6.632 -12.748 1.00 23.23 H new ATOM 0 HG1 THR A 66 -13.668 -5.692 -13.436 1.00 2.44 H new ATOM 0 HG21 THR A 66 -13.196 -7.960 -14.070 1.00 74.24 H new ATOM 0 HG22 THR A 66 -12.327 -8.963 -12.884 1.00 74.24 H new ATOM 0 HG23 THR A 66 -14.012 -8.479 -12.576 1.00 74.24 H new ATOM 806 N ALA A 67 -9.956 -7.432 -10.917 1.00 25.32 N ATOM 807 CA ALA A 67 -8.662 -8.079 -10.798 1.00 3.11 C ATOM 808 C ALA A 67 -8.384 -8.442 -9.358 1.00 52.21 C ATOM 809 O ALA A 67 -8.022 -9.570 -9.067 1.00 61.54 O ATOM 810 CB ALA A 67 -7.572 -7.169 -11.325 1.00 61.50 C ATOM 0 H ALA A 67 -9.903 -6.472 -11.257 1.00 25.32 H new ATOM 0 HA ALA A 67 -8.676 -8.993 -11.391 1.00 3.11 H new ATOM 0 HB1 ALA A 67 -6.606 -7.665 -11.230 1.00 61.50 H new ATOM 0 HB2 ALA A 67 -7.762 -6.943 -12.374 1.00 61.50 H new ATOM 0 HB3 ALA A 67 -7.562 -6.243 -10.750 1.00 61.50 H new ATOM 816 N PHE A 68 -8.572 -7.472 -8.463 1.00 51.24 N ATOM 817 CA PHE A 68 -8.391 -7.675 -7.025 1.00 51.13 C ATOM 818 C PHE A 68 -9.190 -8.851 -6.545 1.00 53.14 C ATOM 819 O PHE A 68 -8.650 -9.756 -5.923 1.00 11.33 O ATOM 820 CB PHE A 68 -8.818 -6.431 -6.269 1.00 3.33 C ATOM 821 CG PHE A 68 -8.965 -6.600 -4.762 1.00 23.03 C ATOM 822 CD1 PHE A 68 -7.864 -6.620 -3.934 1.00 4.42 C ATOM 823 CD2 PHE A 68 -10.225 -6.742 -4.194 1.00 70.54 C ATOM 824 CE1 PHE A 68 -8.009 -6.783 -2.567 1.00 44.02 C ATOM 825 CE2 PHE A 68 -10.375 -6.903 -2.836 1.00 0.22 C ATOM 826 CZ PHE A 68 -9.268 -6.925 -2.019 1.00 21.41 C ATOM 0 H PHE A 68 -8.854 -6.524 -8.714 1.00 51.24 H new ATOM 0 HA PHE A 68 -7.335 -7.872 -6.840 1.00 51.13 H new ATOM 0 HB2 PHE A 68 -8.090 -5.643 -6.460 1.00 3.33 H new ATOM 0 HB3 PHE A 68 -9.771 -6.090 -6.674 1.00 3.33 H new ATOM 0 HD1 PHE A 68 -6.876 -6.507 -4.356 1.00 4.42 H new ATOM 0 HD2 PHE A 68 -11.099 -6.726 -4.828 1.00 70.54 H new ATOM 0 HE1 PHE A 68 -7.137 -6.799 -1.929 1.00 44.02 H new ATOM 0 HE2 PHE A 68 -11.362 -7.012 -2.411 1.00 0.22 H new ATOM 0 HZ PHE A 68 -9.384 -7.053 -0.953 1.00 21.41 H new ATOM 836 N LEU A 69 -10.477 -8.811 -6.822 1.00 72.21 N ATOM 837 CA LEU A 69 -11.382 -9.899 -6.460 1.00 33.01 C ATOM 838 C LEU A 69 -10.881 -11.249 -6.975 1.00 21.41 C ATOM 839 O LEU A 69 -10.895 -12.241 -6.235 1.00 22.25 O ATOM 840 CB LEU A 69 -12.798 -9.630 -6.955 1.00 41.12 C ATOM 841 CG LEU A 69 -13.846 -10.682 -6.597 1.00 64.23 C ATOM 842 CD1 LEU A 69 -14.058 -10.748 -5.093 1.00 31.12 C ATOM 843 CD2 LEU A 69 -15.141 -10.393 -7.312 1.00 35.10 C ATOM 0 H LEU A 69 -10.929 -8.032 -7.301 1.00 72.21 H new ATOM 0 HA LEU A 69 -11.404 -9.945 -5.371 1.00 33.01 H new ATOM 0 HB2 LEU A 69 -13.125 -8.670 -6.555 1.00 41.12 H new ATOM 0 HB3 LEU A 69 -12.769 -9.530 -8.040 1.00 41.12 H new ATOM 0 HG LEU A 69 -13.482 -11.656 -6.924 1.00 64.23 H new ATOM 0 HD11 LEU A 69 -14.809 -11.504 -4.864 1.00 31.12 H new ATOM 0 HD12 LEU A 69 -13.119 -11.009 -4.604 1.00 31.12 H new ATOM 0 HD13 LEU A 69 -14.398 -9.778 -4.731 1.00 31.12 H new ATOM 0 HD21 LEU A 69 -15.879 -11.150 -7.048 1.00 35.10 H new ATOM 0 HD22 LEU A 69 -15.508 -9.410 -7.017 1.00 35.10 H new ATOM 0 HD23 LEU A 69 -14.974 -10.409 -8.389 1.00 35.10 H new ATOM 855 N GLN A 70 -10.441 -11.280 -8.218 1.00 51.31 N ATOM 856 CA GLN A 70 -9.862 -12.462 -8.799 1.00 25.51 C ATOM 857 C GLN A 70 -8.649 -12.934 -7.991 1.00 1.23 C ATOM 858 O GLN A 70 -8.610 -14.076 -7.536 1.00 53.11 O ATOM 859 CB GLN A 70 -9.481 -12.202 -10.251 1.00 31.13 C ATOM 860 CG GLN A 70 -10.663 -12.105 -11.205 1.00 1.44 C ATOM 861 CD GLN A 70 -10.234 -11.817 -12.632 1.00 34.22 C ATOM 862 OE1 GLN A 70 -9.146 -12.200 -13.061 1.00 35.50 O ATOM 863 NE2 GLN A 70 -11.083 -11.177 -13.381 1.00 74.51 N ATOM 0 H GLN A 70 -10.478 -10.480 -8.850 1.00 51.31 H new ATOM 0 HA GLN A 70 -10.606 -13.258 -8.774 1.00 25.51 H new ATOM 0 HB2 GLN A 70 -8.911 -11.275 -10.303 1.00 31.13 H new ATOM 0 HB3 GLN A 70 -8.822 -13.001 -10.589 1.00 31.13 H new ATOM 0 HG2 GLN A 70 -11.225 -13.039 -11.179 1.00 1.44 H new ATOM 0 HG3 GLN A 70 -11.337 -11.318 -10.865 1.00 1.44 H new ATOM 0 HE21 GLN A 70 -11.977 -10.873 -12.994 1.00 74.51 H new ATOM 0 HE22 GLN A 70 -10.855 -10.979 -14.355 1.00 74.51 H new ATOM 872 N PHE A 71 -7.715 -12.030 -7.737 1.00 21.45 N ATOM 873 CA PHE A 71 -6.491 -12.367 -7.007 1.00 34.42 C ATOM 874 C PHE A 71 -6.818 -12.832 -5.587 1.00 44.13 C ATOM 875 O PHE A 71 -6.229 -13.785 -5.076 1.00 20.45 O ATOM 876 CB PHE A 71 -5.521 -11.182 -6.947 1.00 71.31 C ATOM 877 CG PHE A 71 -5.011 -10.682 -8.265 1.00 24.52 C ATOM 878 CD1 PHE A 71 -5.032 -9.329 -8.547 1.00 62.45 C ATOM 879 CD2 PHE A 71 -4.512 -11.554 -9.219 1.00 54.04 C ATOM 880 CE1 PHE A 71 -4.569 -8.850 -9.746 1.00 54.42 C ATOM 881 CE2 PHE A 71 -4.046 -11.079 -10.426 1.00 61.32 C ATOM 882 CZ PHE A 71 -4.076 -9.723 -10.688 1.00 32.11 C ATOM 0 H PHE A 71 -7.777 -11.053 -8.024 1.00 21.45 H new ATOM 0 HA PHE A 71 -6.008 -13.178 -7.551 1.00 34.42 H new ATOM 0 HB2 PHE A 71 -6.018 -10.357 -6.436 1.00 71.31 H new ATOM 0 HB3 PHE A 71 -4.666 -11.469 -6.334 1.00 71.31 H new ATOM 0 HD1 PHE A 71 -5.419 -8.639 -7.812 1.00 62.45 H new ATOM 0 HD2 PHE A 71 -4.488 -12.614 -9.015 1.00 54.04 H new ATOM 0 HE1 PHE A 71 -4.591 -7.790 -9.950 1.00 54.42 H new ATOM 0 HE2 PHE A 71 -3.659 -11.765 -11.165 1.00 61.32 H new ATOM 0 HZ PHE A 71 -3.712 -9.348 -11.633 1.00 32.11 H new ATOM 892 N PHE A 72 -7.759 -12.160 -4.976 1.00 42.13 N ATOM 893 CA PHE A 72 -8.249 -12.489 -3.651 1.00 23.11 C ATOM 894 C PHE A 72 -8.781 -13.928 -3.622 1.00 2.22 C ATOM 895 O PHE A 72 -8.328 -14.765 -2.815 1.00 12.02 O ATOM 896 CB PHE A 72 -9.350 -11.462 -3.259 1.00 20.35 C ATOM 897 CG PHE A 72 -10.410 -11.959 -2.304 1.00 44.41 C ATOM 898 CD1 PHE A 72 -11.638 -12.372 -2.793 1.00 43.54 C ATOM 899 CD2 PHE A 72 -10.188 -12.020 -0.951 1.00 3.44 C ATOM 900 CE1 PHE A 72 -12.617 -12.836 -1.949 1.00 71.23 C ATOM 901 CE2 PHE A 72 -11.160 -12.482 -0.099 1.00 32.35 C ATOM 902 CZ PHE A 72 -12.378 -12.891 -0.598 1.00 32.33 C ATOM 0 H PHE A 72 -8.220 -11.350 -5.390 1.00 42.13 H new ATOM 0 HA PHE A 72 -7.439 -12.431 -2.924 1.00 23.11 H new ATOM 0 HB2 PHE A 72 -8.866 -10.593 -2.813 1.00 20.35 H new ATOM 0 HB3 PHE A 72 -9.841 -11.121 -4.170 1.00 20.35 H new ATOM 0 HD1 PHE A 72 -11.829 -12.329 -3.855 1.00 43.54 H new ATOM 0 HD2 PHE A 72 -9.237 -11.701 -0.552 1.00 3.44 H new ATOM 0 HE1 PHE A 72 -13.569 -13.156 -2.346 1.00 71.23 H new ATOM 0 HE2 PHE A 72 -10.970 -12.525 0.963 1.00 32.35 H new ATOM 0 HZ PHE A 72 -13.143 -13.254 0.072 1.00 32.33 H new ATOM 912 N ARG A 73 -9.670 -14.243 -4.559 1.00 53.30 N ATOM 913 CA ARG A 73 -10.316 -15.544 -4.576 1.00 32.55 C ATOM 914 C ARG A 73 -9.357 -16.634 -5.031 1.00 60.24 C ATOM 915 O ARG A 73 -9.591 -17.822 -4.795 1.00 64.04 O ATOM 916 CB ARG A 73 -11.612 -15.537 -5.408 1.00 32.51 C ATOM 917 CG ARG A 73 -11.424 -15.338 -6.902 1.00 40.00 C ATOM 918 CD ARG A 73 -12.756 -15.190 -7.606 1.00 41.03 C ATOM 919 NE ARG A 73 -12.606 -15.125 -9.057 1.00 52.22 N ATOM 920 CZ ARG A 73 -13.617 -15.088 -9.936 1.00 3.31 C ATOM 921 NH1 ARG A 73 -14.875 -15.000 -9.517 1.00 62.42 N ATOM 922 NH2 ARG A 73 -13.355 -15.127 -11.230 1.00 51.24 N ATOM 0 H ARG A 73 -9.956 -13.616 -5.311 1.00 53.30 H new ATOM 0 HA ARG A 73 -10.605 -15.772 -3.550 1.00 32.55 H new ATOM 0 HB2 ARG A 73 -12.133 -16.481 -5.247 1.00 32.51 H new ATOM 0 HB3 ARG A 73 -12.261 -14.746 -5.032 1.00 32.51 H new ATOM 0 HG2 ARG A 73 -10.815 -14.452 -7.080 1.00 40.00 H new ATOM 0 HG3 ARG A 73 -10.881 -16.186 -7.319 1.00 40.00 H new ATOM 0 HD2 ARG A 73 -13.399 -16.031 -7.346 1.00 41.03 H new ATOM 0 HD3 ARG A 73 -13.254 -14.287 -7.253 1.00 41.03 H new ATOM 0 HE ARG A 73 -11.657 -15.106 -9.431 1.00 52.22 H new ATOM 0 HH11 ARG A 73 -15.078 -14.960 -8.518 1.00 62.42 H new ATOM 0 HH12 ARG A 73 -15.637 -14.972 -10.194 1.00 62.42 H new ATOM 0 HH21 ARG A 73 -12.389 -15.185 -11.553 1.00 51.24 H new ATOM 0 HH22 ARG A 73 -14.118 -15.099 -11.906 1.00 51.24 H new ATOM 936 N GLN A 74 -8.276 -16.238 -5.676 1.00 55.31 N ATOM 937 CA GLN A 74 -7.272 -17.194 -6.059 1.00 20.44 C ATOM 938 C GLN A 74 -6.243 -17.421 -4.938 1.00 13.23 C ATOM 939 O GLN A 74 -5.466 -18.380 -4.994 1.00 33.53 O ATOM 940 CB GLN A 74 -6.574 -16.821 -7.362 1.00 45.41 C ATOM 941 CG GLN A 74 -7.495 -16.693 -8.556 1.00 1.01 C ATOM 942 CD GLN A 74 -6.738 -16.505 -9.838 1.00 44.33 C ATOM 943 OE1 GLN A 74 -6.433 -15.387 -10.243 1.00 44.40 O ATOM 944 NE2 GLN A 74 -6.437 -17.594 -10.492 1.00 75.40 N ATOM 0 H GLN A 74 -8.078 -15.273 -5.940 1.00 55.31 H new ATOM 0 HA GLN A 74 -7.800 -18.132 -6.232 1.00 20.44 H new ATOM 0 HB2 GLN A 74 -6.050 -15.875 -7.221 1.00 45.41 H new ATOM 0 HB3 GLN A 74 -5.818 -17.574 -7.582 1.00 45.41 H new ATOM 0 HG2 GLN A 74 -8.117 -17.585 -8.631 1.00 1.01 H new ATOM 0 HG3 GLN A 74 -8.167 -15.848 -8.406 1.00 1.01 H new ATOM 0 HE21 GLN A 74 -6.709 -18.504 -10.120 1.00 75.40 H new ATOM 0 HE22 GLN A 74 -5.929 -17.535 -11.375 1.00 75.40 H new ATOM 953 N GLY A 75 -6.264 -16.573 -3.908 1.00 74.42 N ATOM 954 CA GLY A 75 -5.335 -16.723 -2.819 1.00 62.12 C ATOM 955 C GLY A 75 -4.022 -16.031 -3.072 1.00 10.31 C ATOM 956 O GLY A 75 -2.961 -16.583 -2.815 1.00 3.34 O ATOM 0 H GLY A 75 -6.910 -15.789 -3.817 1.00 74.42 H new ATOM 0 HA2 GLY A 75 -5.782 -16.323 -1.909 1.00 62.12 H new ATOM 0 HA3 GLY A 75 -5.154 -17.784 -2.646 1.00 62.12 H new ATOM 960 N LEU A 76 -4.089 -14.844 -3.613 1.00 51.34 N ATOM 961 CA LEU A 76 -2.899 -14.042 -3.847 1.00 64.01 C ATOM 962 C LEU A 76 -2.560 -13.200 -2.637 1.00 65.43 C ATOM 963 O LEU A 76 -1.381 -12.991 -2.334 1.00 52.31 O ATOM 964 CB LEU A 76 -3.069 -13.120 -5.064 1.00 0.31 C ATOM 965 CG LEU A 76 -2.796 -13.685 -6.476 1.00 41.14 C ATOM 966 CD1 LEU A 76 -1.318 -13.984 -6.668 1.00 71.21 C ATOM 967 CD2 LEU A 76 -3.615 -14.926 -6.759 1.00 31.54 C ATOM 0 H LEU A 76 -4.960 -14.400 -3.905 1.00 51.34 H new ATOM 0 HA LEU A 76 -2.085 -14.741 -4.042 1.00 64.01 H new ATOM 0 HB2 LEU A 76 -4.092 -12.745 -5.052 1.00 0.31 H new ATOM 0 HB3 LEU A 76 -2.413 -12.262 -4.921 1.00 0.31 H new ATOM 0 HG LEU A 76 -3.097 -12.915 -7.186 1.00 41.14 H new ATOM 0 HD11 LEU A 76 -1.154 -14.380 -7.670 1.00 71.21 H new ATOM 0 HD12 LEU A 76 -0.742 -13.067 -6.542 1.00 71.21 H new ATOM 0 HD13 LEU A 76 -0.997 -14.719 -5.930 1.00 71.21 H new ATOM 0 HD21 LEU A 76 -3.391 -15.289 -7.762 1.00 31.54 H new ATOM 0 HD22 LEU A 76 -3.369 -15.698 -6.030 1.00 31.54 H new ATOM 0 HD23 LEU A 76 -4.676 -14.686 -6.688 1.00 31.54 H new ATOM 979 N PHE A 77 -3.574 -12.723 -1.938 1.00 13.45 N ATOM 980 CA PHE A 77 -3.335 -11.822 -0.827 1.00 61.34 C ATOM 981 C PHE A 77 -3.587 -12.479 0.507 1.00 73.21 C ATOM 982 O PHE A 77 -3.274 -11.892 1.527 1.00 72.11 O ATOM 983 CB PHE A 77 -4.244 -10.592 -0.905 1.00 43.02 C ATOM 984 CG PHE A 77 -4.289 -9.922 -2.232 1.00 53.34 C ATOM 985 CD1 PHE A 77 -5.475 -9.860 -2.931 1.00 20.35 C ATOM 986 CD2 PHE A 77 -3.156 -9.360 -2.788 1.00 74.44 C ATOM 987 CE1 PHE A 77 -5.539 -9.251 -4.152 1.00 22.02 C ATOM 988 CE2 PHE A 77 -3.212 -8.747 -4.018 1.00 33.13 C ATOM 989 CZ PHE A 77 -4.408 -8.692 -4.701 1.00 1.22 C ATOM 0 H PHE A 77 -4.555 -12.940 -2.116 1.00 13.45 H new ATOM 0 HA PHE A 77 -2.286 -11.535 -0.903 1.00 61.34 H new ATOM 0 HB2 PHE A 77 -5.256 -10.890 -0.632 1.00 43.02 H new ATOM 0 HB3 PHE A 77 -3.913 -9.868 -0.161 1.00 43.02 H new ATOM 0 HD1 PHE A 77 -6.366 -10.299 -2.508 1.00 20.35 H new ATOM 0 HD2 PHE A 77 -2.219 -9.402 -2.253 1.00 74.44 H new ATOM 0 HE1 PHE A 77 -6.477 -9.208 -4.686 1.00 22.02 H new ATOM 0 HE2 PHE A 77 -2.322 -8.310 -4.447 1.00 33.13 H new ATOM 0 HZ PHE A 77 -4.457 -8.210 -5.666 1.00 1.22 H new ATOM 999 N LYS A 78 -4.039 -13.741 0.494 1.00 31.14 N ATOM 1000 CA LYS A 78 -4.609 -14.385 1.688 1.00 72.03 C ATOM 1001 C LYS A 78 -3.674 -14.497 2.900 1.00 54.33 C ATOM 1002 O LYS A 78 -4.111 -14.781 4.030 1.00 43.01 O ATOM 1003 CB LYS A 78 -5.453 -15.658 1.362 1.00 41.35 C ATOM 1004 CG LYS A 78 -4.750 -16.822 0.661 1.00 72.41 C ATOM 1005 CD LYS A 78 -3.831 -17.603 1.602 1.00 45.40 C ATOM 1006 CE LYS A 78 -4.610 -18.261 2.751 1.00 41.11 C ATOM 1007 NZ LYS A 78 -3.728 -18.987 3.683 1.00 23.15 N ATOM 0 H LYS A 78 -4.021 -14.338 -0.333 1.00 31.14 H new ATOM 0 HA LYS A 78 -5.339 -13.664 2.057 1.00 72.03 H new ATOM 0 HB2 LYS A 78 -5.868 -16.033 2.298 1.00 41.35 H new ATOM 0 HB3 LYS A 78 -6.294 -15.352 0.740 1.00 41.35 H new ATOM 0 HG2 LYS A 78 -5.498 -17.497 0.246 1.00 72.41 H new ATOM 0 HG3 LYS A 78 -4.167 -16.439 -0.176 1.00 72.41 H new ATOM 0 HD2 LYS A 78 -3.301 -18.370 1.037 1.00 45.40 H new ATOM 0 HD3 LYS A 78 -3.077 -16.931 2.013 1.00 45.40 H new ATOM 0 HE2 LYS A 78 -5.161 -17.496 3.298 1.00 41.11 H new ATOM 0 HE3 LYS A 78 -5.346 -18.951 2.339 1.00 41.11 H new ATOM 0 HZ1 LYS A 78 -4.299 -19.413 4.440 1.00 23.15 H new ATOM 0 HZ2 LYS A 78 -3.220 -19.735 3.169 1.00 23.15 H new ATOM 0 HZ3 LYS A 78 -3.041 -18.325 4.098 1.00 23.15 H new ATOM 1021 N LYS A 79 -2.396 -14.269 2.670 1.00 65.22 N ATOM 1022 CA LYS A 79 -1.412 -14.217 3.742 1.00 33.03 C ATOM 1023 C LYS A 79 -1.617 -12.958 4.632 1.00 1.33 C ATOM 1024 O LYS A 79 -1.052 -12.863 5.736 1.00 71.33 O ATOM 1025 CB LYS A 79 0.011 -14.225 3.177 1.00 35.05 C ATOM 1026 CG LYS A 79 0.381 -15.498 2.428 1.00 34.51 C ATOM 1027 CD LYS A 79 1.798 -15.445 1.852 1.00 20.43 C ATOM 1028 CE LYS A 79 1.978 -14.278 0.887 1.00 24.41 C ATOM 1029 NZ LYS A 79 3.337 -14.233 0.313 1.00 31.33 N ATOM 0 H LYS A 79 -2.008 -14.115 1.739 1.00 65.22 H new ATOM 0 HA LYS A 79 -1.553 -15.105 4.358 1.00 33.03 H new ATOM 0 HB2 LYS A 79 0.127 -13.375 2.505 1.00 35.05 H new ATOM 0 HB3 LYS A 79 0.715 -14.082 3.996 1.00 35.05 H new ATOM 0 HG2 LYS A 79 0.297 -16.350 3.102 1.00 34.51 H new ATOM 0 HG3 LYS A 79 -0.331 -15.660 1.619 1.00 34.51 H new ATOM 0 HD2 LYS A 79 2.517 -15.357 2.666 1.00 20.43 H new ATOM 0 HD3 LYS A 79 2.015 -16.380 1.335 1.00 20.43 H new ATOM 0 HE2 LYS A 79 1.248 -14.359 0.082 1.00 24.41 H new ATOM 0 HE3 LYS A 79 1.775 -13.343 1.409 1.00 24.41 H new ATOM 0 HZ1 LYS A 79 3.516 -13.288 -0.082 1.00 31.33 H new ATOM 0 HZ2 LYS A 79 4.035 -14.435 1.057 1.00 31.33 H new ATOM 0 HZ3 LYS A 79 3.419 -14.944 -0.441 1.00 31.33 H new ATOM 1043 N LEU A 80 -2.439 -12.016 4.146 1.00 73.53 N ATOM 1044 CA LEU A 80 -2.760 -10.755 4.835 1.00 21.41 C ATOM 1045 C LEU A 80 -3.448 -11.032 6.178 1.00 21.32 C ATOM 1046 O LEU A 80 -3.318 -10.255 7.118 1.00 61.32 O ATOM 1047 CB LEU A 80 -3.634 -9.858 3.893 1.00 40.51 C ATOM 1048 CG LEU A 80 -3.997 -8.406 4.334 1.00 74.42 C ATOM 1049 CD1 LEU A 80 -4.431 -7.602 3.119 1.00 41.20 C ATOM 1050 CD2 LEU A 80 -5.140 -8.387 5.349 1.00 20.53 C ATOM 0 H LEU A 80 -2.909 -12.110 3.246 1.00 73.53 H new ATOM 0 HA LEU A 80 -1.841 -10.213 5.061 1.00 21.41 H new ATOM 0 HB2 LEU A 80 -3.117 -9.789 2.936 1.00 40.51 H new ATOM 0 HB3 LEU A 80 -4.569 -10.388 3.713 1.00 40.51 H new ATOM 0 HG LEU A 80 -3.110 -7.975 4.797 1.00 74.42 H new ATOM 0 HD11 LEU A 80 -4.685 -6.587 3.426 1.00 41.20 H new ATOM 0 HD12 LEU A 80 -3.617 -7.569 2.395 1.00 41.20 H new ATOM 0 HD13 LEU A 80 -5.303 -8.072 2.664 1.00 41.20 H new ATOM 0 HD21 LEU A 80 -5.361 -7.357 5.629 1.00 20.53 H new ATOM 0 HD22 LEU A 80 -6.027 -8.841 4.907 1.00 20.53 H new ATOM 0 HD23 LEU A 80 -4.848 -8.950 6.236 1.00 20.53 H new ATOM 1062 N LYS A 81 -4.128 -12.171 6.267 1.00 34.52 N ATOM 1063 CA LYS A 81 -4.823 -12.591 7.495 1.00 75.34 C ATOM 1064 C LYS A 81 -3.871 -12.616 8.692 1.00 42.01 C ATOM 1065 O LYS A 81 -4.250 -12.294 9.818 1.00 3.21 O ATOM 1066 CB LYS A 81 -5.423 -14.000 7.303 1.00 23.24 C ATOM 1067 CG LYS A 81 -6.164 -14.546 8.529 1.00 3.22 C ATOM 1068 CD LYS A 81 -6.740 -15.947 8.299 1.00 33.04 C ATOM 1069 CE LYS A 81 -5.663 -17.029 8.124 1.00 24.15 C ATOM 1070 NZ LYS A 81 -4.825 -17.229 9.340 1.00 44.23 N ATOM 0 H LYS A 81 -4.217 -12.833 5.496 1.00 34.52 H new ATOM 0 HA LYS A 81 -5.615 -11.868 7.692 1.00 75.34 H new ATOM 0 HB2 LYS A 81 -6.112 -13.976 6.458 1.00 23.24 H new ATOM 0 HB3 LYS A 81 -4.621 -14.690 7.041 1.00 23.24 H new ATOM 0 HG2 LYS A 81 -5.481 -14.574 9.378 1.00 3.22 H new ATOM 0 HG3 LYS A 81 -6.973 -13.864 8.793 1.00 3.22 H new ATOM 0 HD2 LYS A 81 -7.377 -16.213 9.142 1.00 33.04 H new ATOM 0 HD3 LYS A 81 -7.374 -15.930 7.413 1.00 33.04 H new ATOM 0 HE2 LYS A 81 -6.144 -17.972 7.864 1.00 24.15 H new ATOM 0 HE3 LYS A 81 -5.019 -16.758 7.288 1.00 24.15 H new ATOM 0 HZ1 LYS A 81 -4.312 -18.131 9.264 1.00 44.23 H new ATOM 0 HZ2 LYS A 81 -4.142 -16.449 9.423 1.00 44.23 H new ATOM 0 HZ3 LYS A 81 -5.435 -17.247 10.182 1.00 44.23 H new ATOM 1084 N ASP A 82 -2.636 -12.952 8.421 1.00 71.45 N ATOM 1085 CA ASP A 82 -1.647 -13.159 9.456 1.00 11.20 C ATOM 1086 C ASP A 82 -0.677 -12.001 9.519 1.00 63.12 C ATOM 1087 O ASP A 82 0.385 -12.095 10.134 1.00 73.12 O ATOM 1088 CB ASP A 82 -0.896 -14.465 9.194 1.00 64.20 C ATOM 1089 CG ASP A 82 -1.831 -15.634 9.029 1.00 42.14 C ATOM 1090 OD1 ASP A 82 -1.909 -16.207 7.912 1.00 54.23 O ATOM 1091 OD2 ASP A 82 -2.548 -15.976 9.990 1.00 63.53 O ATOM 0 H ASP A 82 -2.283 -13.091 7.474 1.00 71.45 H new ATOM 0 HA ASP A 82 -2.157 -13.221 10.417 1.00 11.20 H new ATOM 0 HB2 ASP A 82 -0.288 -14.359 8.296 1.00 64.20 H new ATOM 0 HB3 ASP A 82 -0.213 -14.662 10.020 1.00 64.20 H new ATOM 1096 N ALA A 83 -1.032 -10.917 8.887 1.00 45.20 N ATOM 1097 CA ALA A 83 -0.164 -9.765 8.816 1.00 61.12 C ATOM 1098 C ALA A 83 -0.283 -8.867 10.050 1.00 11.13 C ATOM 1099 O ALA A 83 -1.308 -8.867 10.752 1.00 14.04 O ATOM 1100 CB ALA A 83 -0.447 -8.977 7.553 1.00 22.53 C ATOM 0 H ALA A 83 -1.925 -10.803 8.408 1.00 45.20 H new ATOM 0 HA ALA A 83 0.862 -10.131 8.790 1.00 61.12 H new ATOM 0 HB1 ALA A 83 0.213 -8.110 7.509 1.00 22.53 H new ATOM 0 HB2 ALA A 83 -0.273 -9.610 6.683 1.00 22.53 H new ATOM 0 HB3 ALA A 83 -1.485 -8.643 7.557 1.00 22.53 H new ATOM 1106 N GLU A 84 0.779 -8.147 10.330 1.00 5.53 N ATOM 1107 CA GLU A 84 0.816 -7.156 11.404 1.00 44.23 C ATOM 1108 C GLU A 84 0.361 -5.829 10.809 1.00 75.11 C ATOM 1109 O GLU A 84 0.590 -5.598 9.628 1.00 25.23 O ATOM 1110 CB GLU A 84 2.253 -7.025 11.942 1.00 23.04 C ATOM 1111 CG GLU A 84 3.271 -6.676 10.864 1.00 4.41 C ATOM 1112 CD GLU A 84 4.666 -6.467 11.377 1.00 31.52 C ATOM 1113 OE1 GLU A 84 5.429 -7.433 11.460 1.00 21.55 O ATOM 1114 OE2 GLU A 84 5.043 -5.295 11.664 1.00 52.35 O ATOM 0 H GLU A 84 1.657 -8.227 9.817 1.00 5.53 H new ATOM 0 HA GLU A 84 0.168 -7.452 12.229 1.00 44.23 H new ATOM 0 HB2 GLU A 84 2.275 -6.257 12.715 1.00 23.04 H new ATOM 0 HB3 GLU A 84 2.543 -7.963 12.416 1.00 23.04 H new ATOM 0 HG2 GLU A 84 3.285 -7.474 10.122 1.00 4.41 H new ATOM 0 HG3 GLU A 84 2.945 -5.771 10.352 1.00 4.41 H new ATOM 1121 N PHE A 85 -0.259 -4.963 11.582 1.00 3.51 N ATOM 1122 CA PHE A 85 -0.751 -3.721 11.024 1.00 41.23 C ATOM 1123 C PHE A 85 -0.088 -2.513 11.655 1.00 21.43 C ATOM 1124 O PHE A 85 0.125 -2.460 12.864 1.00 64.41 O ATOM 1125 CB PHE A 85 -2.291 -3.613 11.118 1.00 34.23 C ATOM 1126 CG PHE A 85 -2.875 -3.574 12.513 1.00 72.53 C ATOM 1127 CD1 PHE A 85 -3.146 -4.741 13.203 1.00 21.40 C ATOM 1128 CD2 PHE A 85 -3.169 -2.359 13.121 1.00 31.35 C ATOM 1129 CE1 PHE A 85 -3.695 -4.701 14.470 1.00 71.45 C ATOM 1130 CE2 PHE A 85 -3.714 -2.314 14.387 1.00 73.30 C ATOM 1131 CZ PHE A 85 -3.978 -3.486 15.061 1.00 30.33 C ATOM 0 H PHE A 85 -0.432 -5.091 12.579 1.00 3.51 H new ATOM 0 HA PHE A 85 -0.483 -3.732 9.967 1.00 41.23 H new ATOM 0 HB2 PHE A 85 -2.604 -2.712 10.591 1.00 34.23 H new ATOM 0 HB3 PHE A 85 -2.727 -4.460 10.588 1.00 34.23 H new ATOM 0 HD1 PHE A 85 -2.926 -5.695 12.746 1.00 21.40 H new ATOM 0 HD2 PHE A 85 -2.968 -1.438 12.595 1.00 31.35 H new ATOM 0 HE1 PHE A 85 -3.903 -5.620 14.998 1.00 71.45 H new ATOM 0 HE2 PHE A 85 -3.933 -1.363 14.849 1.00 73.30 H new ATOM 0 HZ PHE A 85 -4.406 -3.454 16.052 1.00 30.33 H new ATOM 1141 N ALA A 86 0.281 -1.579 10.833 1.00 0.45 N ATOM 1142 CA ALA A 86 0.818 -0.326 11.289 1.00 11.54 C ATOM 1143 C ALA A 86 -0.308 0.681 11.388 1.00 32.04 C ATOM 1144 O ALA A 86 -0.881 1.099 10.371 1.00 54.22 O ATOM 1145 CB ALA A 86 1.885 0.168 10.349 1.00 42.05 C ATOM 0 H ALA A 86 0.219 -1.662 9.818 1.00 0.45 H new ATOM 0 HA ALA A 86 1.275 -0.462 12.269 1.00 11.54 H new ATOM 0 HB1 ALA A 86 2.279 1.117 10.712 1.00 42.05 H new ATOM 0 HB2 ALA A 86 2.692 -0.563 10.298 1.00 42.05 H new ATOM 0 HB3 ALA A 86 1.458 0.308 9.356 1.00 42.05 H new ATOM 1151 N ILE A 87 -0.644 1.035 12.595 1.00 53.51 N ATOM 1152 CA ILE A 87 -1.737 1.938 12.857 1.00 61.54 C ATOM 1153 C ILE A 87 -1.306 3.414 12.711 1.00 60.41 C ATOM 1154 O ILE A 87 -0.599 3.972 13.566 1.00 25.33 O ATOM 1155 CB ILE A 87 -2.396 1.651 14.252 1.00 41.22 C ATOM 1156 CG1 ILE A 87 -3.505 2.676 14.573 1.00 61.44 C ATOM 1157 CG2 ILE A 87 -1.353 1.570 15.372 1.00 43.15 C ATOM 1158 CD1 ILE A 87 -4.204 2.453 15.905 1.00 34.13 C ATOM 0 H ILE A 87 -0.166 0.705 13.434 1.00 53.51 H new ATOM 0 HA ILE A 87 -2.500 1.757 12.100 1.00 61.54 H new ATOM 0 HB ILE A 87 -2.868 0.670 14.191 1.00 41.22 H new ATOM 0 HG12 ILE A 87 -3.071 3.676 14.568 1.00 61.44 H new ATOM 0 HG13 ILE A 87 -4.249 2.648 13.777 1.00 61.44 H new ATOM 0 HG21 ILE A 87 -1.852 1.370 16.320 1.00 43.15 H new ATOM 0 HG22 ILE A 87 -0.649 0.766 15.156 1.00 43.15 H new ATOM 0 HG23 ILE A 87 -0.815 2.516 15.437 1.00 43.15 H new ATOM 0 HD11 ILE A 87 -4.967 3.218 16.048 1.00 34.13 H new ATOM 0 HD12 ILE A 87 -4.672 1.469 15.910 1.00 34.13 H new ATOM 0 HD13 ILE A 87 -3.475 2.512 16.713 1.00 34.13 H new ATOM 1170 N ASN A 88 -1.684 4.012 11.600 1.00 52.42 N ATOM 1171 CA ASN A 88 -1.397 5.413 11.349 1.00 24.43 C ATOM 1172 C ASN A 88 -2.689 6.191 11.252 1.00 54.53 C ATOM 1173 O ASN A 88 -3.297 6.277 10.177 1.00 2.21 O ATOM 1174 CB ASN A 88 -0.565 5.646 10.062 1.00 44.45 C ATOM 1175 CG ASN A 88 0.812 5.005 10.074 1.00 14.31 C ATOM 1176 OD1 ASN A 88 1.770 5.577 10.593 1.00 1.23 O ATOM 1177 ND2 ASN A 88 0.945 3.874 9.434 1.00 21.14 N ATOM 0 H ASN A 88 -2.195 3.547 10.850 1.00 52.42 H new ATOM 0 HA ASN A 88 -0.796 5.762 12.189 1.00 24.43 H new ATOM 0 HB2 ASN A 88 -1.124 5.260 9.209 1.00 44.45 H new ATOM 0 HB3 ASN A 88 -0.450 6.719 9.909 1.00 44.45 H new ATOM 0 HD21 ASN A 88 1.864 3.439 9.353 1.00 21.14 H new ATOM 0 HD22 ASN A 88 0.130 3.426 9.015 1.00 21.14 H new ATOM 1184 N VAL A 89 -3.147 6.680 12.374 1.00 44.45 N ATOM 1185 CA VAL A 89 -4.343 7.495 12.434 1.00 14.50 C ATOM 1186 C VAL A 89 -3.907 8.947 12.615 1.00 45.32 C ATOM 1187 O VAL A 89 -2.839 9.206 13.188 1.00 42.30 O ATOM 1188 CB VAL A 89 -5.274 7.059 13.622 1.00 4.34 C ATOM 1189 CG1 VAL A 89 -6.566 7.874 13.669 1.00 54.41 C ATOM 1190 CG2 VAL A 89 -5.597 5.573 13.535 1.00 33.24 C ATOM 0 H VAL A 89 -2.703 6.526 13.279 1.00 44.45 H new ATOM 0 HA VAL A 89 -4.915 7.373 11.514 1.00 14.50 H new ATOM 0 HB VAL A 89 -4.726 7.253 14.544 1.00 4.34 H new ATOM 0 HG11 VAL A 89 -7.178 7.538 14.506 1.00 54.41 H new ATOM 0 HG12 VAL A 89 -6.326 8.930 13.796 1.00 54.41 H new ATOM 0 HG13 VAL A 89 -7.117 7.737 12.739 1.00 54.41 H new ATOM 0 HG21 VAL A 89 -6.243 5.292 14.367 1.00 33.24 H new ATOM 0 HG22 VAL A 89 -6.107 5.366 12.594 1.00 33.24 H new ATOM 0 HG23 VAL A 89 -4.673 4.996 13.582 1.00 33.24 H new ATOM 1200 N SER A 90 -4.681 9.874 12.099 1.00 21.41 N ATOM 1201 CA SER A 90 -4.381 11.272 12.217 1.00 14.34 C ATOM 1202 C SER A 90 -4.449 11.722 13.681 1.00 1.14 C ATOM 1203 O SER A 90 -3.476 12.257 14.232 1.00 60.43 O ATOM 1204 CB SER A 90 -5.341 12.058 11.331 1.00 44.31 C ATOM 1205 OG SER A 90 -6.679 11.598 11.506 1.00 43.02 O ATOM 0 H SER A 90 -5.539 9.673 11.585 1.00 21.41 H new ATOM 0 HA SER A 90 -3.362 11.463 11.881 1.00 14.34 H new ATOM 0 HB2 SER A 90 -5.281 13.119 11.573 1.00 44.31 H new ATOM 0 HB3 SER A 90 -5.049 11.953 10.286 1.00 44.31 H new ATOM 0 HG SER A 90 -7.292 12.175 11.003 1.00 43.02 H new ATOM 1211 N GLY A 91 -5.571 11.477 14.298 1.00 22.14 N ATOM 1212 CA GLY A 91 -5.767 11.821 15.668 1.00 1.14 C ATOM 1213 C GLY A 91 -7.154 12.342 15.858 1.00 3.11 C ATOM 1214 O GLY A 91 -8.101 11.795 15.288 1.00 2.34 O ATOM 0 H GLY A 91 -6.376 11.031 13.858 1.00 22.14 H new ATOM 0 HA2 GLY A 91 -5.606 10.948 16.300 1.00 1.14 H new ATOM 0 HA3 GLY A 91 -5.040 12.574 15.973 1.00 1.14 H new ATOM 1218 N LYS A 92 -7.287 13.397 16.613 1.00 41.30 N ATOM 1219 CA LYS A 92 -8.578 14.010 16.843 1.00 20.12 C ATOM 1220 C LYS A 92 -8.726 15.264 15.995 1.00 64.22 C ATOM 1221 O LYS A 92 -9.651 16.059 16.171 1.00 43.15 O ATOM 1222 CB LYS A 92 -8.804 14.289 18.342 1.00 35.22 C ATOM 1223 CG LYS A 92 -7.728 15.126 19.012 1.00 53.21 C ATOM 1224 CD LYS A 92 -7.992 15.256 20.499 1.00 12.33 C ATOM 1225 CE LYS A 92 -6.848 15.963 21.203 1.00 34.14 C ATOM 1226 NZ LYS A 92 -7.033 16.022 22.672 1.00 22.22 N ATOM 0 H LYS A 92 -6.511 13.859 17.087 1.00 41.30 H new ATOM 0 HA LYS A 92 -9.356 13.311 16.536 1.00 20.12 H new ATOM 0 HB2 LYS A 92 -9.762 14.795 18.461 1.00 35.22 H new ATOM 0 HB3 LYS A 92 -8.879 13.336 18.866 1.00 35.22 H new ATOM 0 HG2 LYS A 92 -6.752 14.668 18.850 1.00 53.21 H new ATOM 0 HG3 LYS A 92 -7.695 16.116 18.556 1.00 53.21 H new ATOM 0 HD2 LYS A 92 -8.918 15.809 20.659 1.00 12.33 H new ATOM 0 HD3 LYS A 92 -8.133 14.266 20.933 1.00 12.33 H new ATOM 0 HE2 LYS A 92 -5.914 15.448 20.978 1.00 34.14 H new ATOM 0 HE3 LYS A 92 -6.755 16.976 20.811 1.00 34.14 H new ATOM 0 HZ1 LYS A 92 -6.225 16.514 23.104 1.00 22.22 H new ATOM 0 HZ2 LYS A 92 -7.910 16.537 22.891 1.00 22.22 H new ATOM 0 HZ3 LYS A 92 -7.094 15.056 23.053 1.00 22.22 H new ATOM 1240 N VAL A 93 -7.822 15.417 15.068 1.00 32.15 N ATOM 1241 CA VAL A 93 -7.860 16.503 14.114 1.00 63.32 C ATOM 1242 C VAL A 93 -8.816 16.099 13.000 1.00 23.24 C ATOM 1243 O VAL A 93 -8.853 14.932 12.626 1.00 73.04 O ATOM 1244 CB VAL A 93 -6.448 16.760 13.506 1.00 3.54 C ATOM 1245 CG1 VAL A 93 -6.460 17.930 12.534 1.00 33.10 C ATOM 1246 CG2 VAL A 93 -5.421 16.995 14.601 1.00 73.43 C ATOM 0 H VAL A 93 -7.028 14.788 14.948 1.00 32.15 H new ATOM 0 HA VAL A 93 -8.187 17.417 14.610 1.00 63.32 H new ATOM 0 HB VAL A 93 -6.168 15.865 12.950 1.00 3.54 H new ATOM 0 HG11 VAL A 93 -5.458 18.078 12.131 1.00 33.10 H new ATOM 0 HG12 VAL A 93 -7.152 17.718 11.719 1.00 33.10 H new ATOM 0 HG13 VAL A 93 -6.779 18.833 13.055 1.00 33.10 H new ATOM 0 HG21 VAL A 93 -4.444 17.172 14.152 1.00 73.43 H new ATOM 0 HG22 VAL A 93 -5.711 17.864 15.192 1.00 73.43 H new ATOM 0 HG23 VAL A 93 -5.370 16.118 15.246 1.00 73.43 H new ATOM 1256 N LYS A 94 -9.616 17.021 12.526 1.00 42.25 N ATOM 1257 CA LYS A 94 -10.522 16.753 11.437 1.00 13.33 C ATOM 1258 C LYS A 94 -10.362 17.854 10.409 1.00 24.51 C ATOM 1259 O LYS A 94 -10.829 18.978 10.612 1.00 21.14 O ATOM 1260 CB LYS A 94 -11.980 16.666 11.964 1.00 41.22 C ATOM 1261 CG LYS A 94 -13.048 16.101 10.988 1.00 44.22 C ATOM 1262 CD LYS A 94 -13.436 17.039 9.837 1.00 35.41 C ATOM 1263 CE LYS A 94 -14.137 18.304 10.329 1.00 2.10 C ATOM 1264 NZ LYS A 94 -14.610 19.143 9.203 1.00 44.04 N ATOM 0 H LYS A 94 -9.658 17.976 12.883 1.00 42.25 H new ATOM 0 HA LYS A 94 -10.293 15.794 10.971 1.00 13.33 H new ATOM 0 HB2 LYS A 94 -11.980 16.048 12.862 1.00 41.22 H new ATOM 0 HB3 LYS A 94 -12.292 17.666 12.266 1.00 41.22 H new ATOM 0 HG2 LYS A 94 -12.675 15.168 10.566 1.00 44.22 H new ATOM 0 HG3 LYS A 94 -13.946 15.858 11.557 1.00 44.22 H new ATOM 0 HD2 LYS A 94 -12.541 17.316 9.280 1.00 35.41 H new ATOM 0 HD3 LYS A 94 -14.091 16.509 9.145 1.00 35.41 H new ATOM 0 HE2 LYS A 94 -14.983 18.029 10.958 1.00 2.10 H new ATOM 0 HE3 LYS A 94 -13.452 18.881 10.950 1.00 2.10 H new ATOM 0 HZ1 LYS A 94 -15.080 19.992 9.576 1.00 44.04 H new ATOM 0 HZ2 LYS A 94 -13.799 19.426 8.616 1.00 44.04 H new ATOM 0 HZ3 LYS A 94 -15.283 18.601 8.625 1.00 44.04 H new ATOM 1278 N GLU A 95 -9.667 17.559 9.345 1.00 30.10 N ATOM 1279 CA GLU A 95 -9.451 18.535 8.291 1.00 34.22 C ATOM 1280 C GLU A 95 -9.633 17.915 6.906 1.00 52.11 C ATOM 1281 O GLU A 95 -10.117 18.568 5.972 1.00 2.11 O ATOM 1282 CB GLU A 95 -8.065 19.187 8.421 1.00 50.11 C ATOM 1283 CG GLU A 95 -6.903 18.203 8.391 1.00 21.31 C ATOM 1284 CD GLU A 95 -5.562 18.883 8.414 1.00 2.11 C ATOM 1285 OE1 GLU A 95 -4.920 18.932 9.478 1.00 32.03 O ATOM 1286 OE2 GLU A 95 -5.125 19.386 7.362 1.00 52.43 O ATOM 0 H GLU A 95 -9.236 16.650 9.177 1.00 30.10 H new ATOM 0 HA GLU A 95 -10.206 19.313 8.405 1.00 34.22 H new ATOM 0 HB2 GLU A 95 -7.938 19.906 7.612 1.00 50.11 H new ATOM 0 HB3 GLU A 95 -8.027 19.748 9.355 1.00 50.11 H new ATOM 0 HG2 GLU A 95 -6.979 17.532 9.246 1.00 21.31 H new ATOM 0 HG3 GLU A 95 -6.978 17.587 7.495 1.00 21.31 H new ATOM 1293 N GLY A 96 -9.310 16.661 6.798 1.00 30.44 N ATOM 1294 CA GLY A 96 -9.356 15.971 5.535 1.00 61.24 C ATOM 1295 C GLY A 96 -8.049 15.254 5.300 1.00 44.25 C ATOM 1296 O GLY A 96 -7.455 15.341 4.222 1.00 32.12 O ATOM 0 H GLY A 96 -9.006 16.083 7.582 1.00 30.44 H new ATOM 0 HA2 GLY A 96 -10.180 15.257 5.529 1.00 61.24 H new ATOM 0 HA3 GLY A 96 -9.543 16.680 4.729 1.00 61.24 H new ATOM 1300 N GLU A 97 -7.603 14.557 6.320 1.00 44.20 N ATOM 1301 CA GLU A 97 -6.307 13.892 6.327 1.00 3.42 C ATOM 1302 C GLU A 97 -6.389 12.544 5.610 1.00 0.11 C ATOM 1303 O GLU A 97 -7.482 12.095 5.210 1.00 15.33 O ATOM 1304 CB GLU A 97 -5.808 13.624 7.776 1.00 45.45 C ATOM 1305 CG GLU A 97 -6.307 14.578 8.867 1.00 35.15 C ATOM 1306 CD GLU A 97 -7.753 14.304 9.247 1.00 63.44 C ATOM 1307 OE1 GLU A 97 -8.650 15.086 8.854 1.00 41.21 O ATOM 1308 OE2 GLU A 97 -8.023 13.269 9.867 1.00 73.51 O ATOM 0 H GLU A 97 -8.132 14.430 7.183 1.00 44.20 H new ATOM 0 HA GLU A 97 -5.612 14.559 5.816 1.00 3.42 H new ATOM 0 HB2 GLU A 97 -6.098 12.610 8.053 1.00 45.45 H new ATOM 0 HB3 GLU A 97 -4.718 13.654 7.771 1.00 45.45 H new ATOM 0 HG2 GLU A 97 -5.676 14.480 9.750 1.00 35.15 H new ATOM 0 HG3 GLU A 97 -6.212 15.607 8.520 1.00 35.15 H new ATOM 1315 N GLY A 98 -5.249 11.899 5.481 1.00 34.12 N ATOM 1316 CA GLY A 98 -5.188 10.598 4.885 1.00 73.24 C ATOM 1317 C GLY A 98 -4.685 9.572 5.880 1.00 21.02 C ATOM 1318 O GLY A 98 -3.835 9.888 6.733 1.00 34.20 O ATOM 0 H GLY A 98 -4.348 12.266 5.787 1.00 34.12 H new ATOM 0 HA2 GLY A 98 -6.177 10.310 4.528 1.00 73.24 H new ATOM 0 HA3 GLY A 98 -4.530 10.622 4.016 1.00 73.24 H new ATOM 1322 N TYR A 99 -5.204 8.374 5.803 1.00 53.24 N ATOM 1323 CA TYR A 99 -4.800 7.300 6.681 1.00 54.15 C ATOM 1324 C TYR A 99 -4.036 6.307 5.861 1.00 1.14 C ATOM 1325 O TYR A 99 -4.413 6.028 4.715 1.00 63.10 O ATOM 1326 CB TYR A 99 -6.003 6.587 7.307 1.00 20.22 C ATOM 1327 CG TYR A 99 -7.009 7.501 7.951 1.00 14.53 C ATOM 1328 CD1 TYR A 99 -8.314 7.526 7.501 1.00 75.43 C ATOM 1329 CD2 TYR A 99 -6.654 8.351 8.987 1.00 51.31 C ATOM 1330 CE1 TYR A 99 -9.244 8.363 8.050 1.00 25.42 C ATOM 1331 CE2 TYR A 99 -7.581 9.198 9.556 1.00 12.34 C ATOM 1332 CZ TYR A 99 -8.873 9.206 9.085 1.00 12.21 C ATOM 1333 OH TYR A 99 -9.789 10.060 9.641 1.00 30.01 O ATOM 0 H TYR A 99 -5.922 8.112 5.128 1.00 53.24 H new ATOM 0 HA TYR A 99 -4.200 7.717 7.489 1.00 54.15 H new ATOM 0 HB2 TYR A 99 -6.504 6.003 6.535 1.00 20.22 H new ATOM 0 HB3 TYR A 99 -5.641 5.882 8.055 1.00 20.22 H new ATOM 0 HD1 TYR A 99 -8.607 6.868 6.696 1.00 75.43 H new ATOM 0 HD2 TYR A 99 -5.638 8.350 9.353 1.00 51.31 H new ATOM 0 HE1 TYR A 99 -10.259 8.367 7.681 1.00 25.42 H new ATOM 0 HE2 TYR A 99 -7.294 9.851 10.367 1.00 12.34 H new ATOM 0 HH TYR A 99 -9.362 10.578 10.355 1.00 30.01 H new ATOM 1343 N LYS A 100 -2.997 5.777 6.423 1.00 41.53 N ATOM 1344 CA LYS A 100 -2.152 4.840 5.735 1.00 33.00 C ATOM 1345 C LYS A 100 -1.922 3.648 6.628 1.00 15.52 C ATOM 1346 O LYS A 100 -1.154 3.706 7.587 1.00 31.24 O ATOM 1347 CB LYS A 100 -0.823 5.501 5.321 1.00 12.43 C ATOM 1348 CG LYS A 100 -0.995 6.625 4.304 1.00 71.02 C ATOM 1349 CD LYS A 100 0.323 7.311 3.973 1.00 40.22 C ATOM 1350 CE LYS A 100 0.144 8.409 2.925 1.00 73.11 C ATOM 1351 NZ LYS A 100 -0.827 9.444 3.342 1.00 21.12 N ATOM 0 H LYS A 100 -2.705 5.980 7.379 1.00 41.53 H new ATOM 0 HA LYS A 100 -2.640 4.509 4.818 1.00 33.00 H new ATOM 0 HB2 LYS A 100 -0.331 5.897 6.209 1.00 12.43 H new ATOM 0 HB3 LYS A 100 -0.163 4.741 4.903 1.00 12.43 H new ATOM 0 HG2 LYS A 100 -1.432 6.222 3.390 1.00 71.02 H new ATOM 0 HG3 LYS A 100 -1.697 7.361 4.695 1.00 71.02 H new ATOM 0 HD2 LYS A 100 0.747 7.741 4.881 1.00 40.22 H new ATOM 0 HD3 LYS A 100 1.036 6.572 3.607 1.00 40.22 H new ATOM 0 HE2 LYS A 100 1.108 8.879 2.729 1.00 73.11 H new ATOM 0 HE3 LYS A 100 -0.189 7.961 1.989 1.00 73.11 H new ATOM 0 HZ1 LYS A 100 -0.774 10.252 2.690 1.00 21.12 H new ATOM 0 HZ2 LYS A 100 -1.788 9.046 3.323 1.00 21.12 H new ATOM 0 HZ3 LYS A 100 -0.603 9.762 4.306 1.00 21.12 H new ATOM 1365 N LEU A 101 -2.628 2.604 6.361 1.00 72.12 N ATOM 1366 CA LEU A 101 -2.550 1.420 7.164 1.00 21.01 C ATOM 1367 C LEU A 101 -1.827 0.352 6.391 1.00 63.25 C ATOM 1368 O LEU A 101 -2.317 -0.115 5.362 1.00 42.45 O ATOM 1369 CB LEU A 101 -3.958 0.966 7.561 1.00 44.21 C ATOM 1370 CG LEU A 101 -4.781 2.000 8.351 1.00 12.05 C ATOM 1371 CD1 LEU A 101 -6.186 1.503 8.593 1.00 42.52 C ATOM 1372 CD2 LEU A 101 -4.109 2.332 9.675 1.00 42.23 C ATOM 0 H LEU A 101 -3.279 2.541 5.579 1.00 72.12 H new ATOM 0 HA LEU A 101 -1.996 1.623 8.081 1.00 21.01 H new ATOM 0 HB2 LEU A 101 -4.506 0.703 6.656 1.00 44.21 H new ATOM 0 HB3 LEU A 101 -3.875 0.058 8.158 1.00 44.21 H new ATOM 0 HG LEU A 101 -4.834 2.908 7.751 1.00 12.05 H new ATOM 0 HD11 LEU A 101 -6.746 2.252 9.153 1.00 42.52 H new ATOM 0 HD12 LEU A 101 -6.678 1.322 7.637 1.00 42.52 H new ATOM 0 HD13 LEU A 101 -6.150 0.575 9.164 1.00 42.52 H new ATOM 0 HD21 LEU A 101 -4.710 3.064 10.214 1.00 42.23 H new ATOM 0 HD22 LEU A 101 -4.018 1.426 10.274 1.00 42.23 H new ATOM 0 HD23 LEU A 101 -3.118 2.744 9.487 1.00 42.23 H new ATOM 1384 N VAL A 102 -0.653 0.006 6.849 1.00 24.31 N ATOM 1385 CA VAL A 102 0.150 -0.967 6.171 1.00 62.04 C ATOM 1386 C VAL A 102 0.330 -2.228 6.994 1.00 11.43 C ATOM 1387 O VAL A 102 0.640 -2.180 8.185 1.00 42.41 O ATOM 1388 CB VAL A 102 1.519 -0.385 5.679 1.00 55.22 C ATOM 1389 CG1 VAL A 102 2.336 0.211 6.812 1.00 44.22 C ATOM 1390 CG2 VAL A 102 2.335 -1.427 4.916 1.00 44.02 C ATOM 0 H VAL A 102 -0.232 0.389 7.696 1.00 24.31 H new ATOM 0 HA VAL A 102 -0.402 -1.247 5.274 1.00 62.04 H new ATOM 0 HB VAL A 102 1.276 0.425 4.992 1.00 55.22 H new ATOM 0 HG11 VAL A 102 3.275 0.600 6.418 1.00 44.22 H new ATOM 0 HG12 VAL A 102 1.775 1.021 7.278 1.00 44.22 H new ATOM 0 HG13 VAL A 102 2.546 -0.560 7.554 1.00 44.22 H new ATOM 0 HG21 VAL A 102 3.277 -0.985 4.591 1.00 44.02 H new ATOM 0 HG22 VAL A 102 2.538 -2.278 5.567 1.00 44.02 H new ATOM 0 HG23 VAL A 102 1.773 -1.763 4.045 1.00 44.02 H new ATOM 1400 N TRP A 103 0.059 -3.323 6.366 1.00 61.23 N ATOM 1401 CA TRP A 103 0.225 -4.620 6.917 1.00 2.31 C ATOM 1402 C TRP A 103 1.471 -5.224 6.379 1.00 72.24 C ATOM 1403 O TRP A 103 1.805 -5.042 5.206 1.00 53.45 O ATOM 1404 CB TRP A 103 -0.936 -5.541 6.560 1.00 34.33 C ATOM 1405 CG TRP A 103 -2.226 -5.169 7.176 1.00 55.12 C ATOM 1406 CD1 TRP A 103 -2.729 -5.650 8.340 1.00 75.22 C ATOM 1407 CD2 TRP A 103 -3.188 -4.253 6.665 1.00 71.33 C ATOM 1408 NE1 TRP A 103 -3.941 -5.080 8.596 1.00 34.21 N ATOM 1409 CE2 TRP A 103 -4.248 -4.222 7.577 1.00 42.34 C ATOM 1410 CE3 TRP A 103 -3.256 -3.452 5.521 1.00 43.24 C ATOM 1411 CZ2 TRP A 103 -5.356 -3.425 7.386 1.00 13.23 C ATOM 1412 CZ3 TRP A 103 -4.356 -2.667 5.337 1.00 4.33 C ATOM 1413 CH2 TRP A 103 -5.389 -2.660 6.261 1.00 13.11 C ATOM 0 H TRP A 103 -0.300 -3.335 5.411 1.00 61.23 H new ATOM 0 HA TRP A 103 0.269 -4.514 8.001 1.00 2.31 H new ATOM 0 HB2 TRP A 103 -1.055 -5.551 5.477 1.00 34.33 H new ATOM 0 HB3 TRP A 103 -0.683 -6.557 6.863 1.00 34.33 H new ATOM 0 HD1 TRP A 103 -2.241 -6.378 8.972 1.00 75.22 H new ATOM 0 HE1 TRP A 103 -4.523 -5.264 9.413 1.00 34.21 H new ATOM 0 HE3 TRP A 103 -2.454 -3.455 4.798 1.00 43.24 H new ATOM 0 HZ2 TRP A 103 -6.166 -3.408 8.101 1.00 13.23 H new ATOM 0 HZ3 TRP A 103 -4.423 -2.042 4.459 1.00 4.33 H new ATOM 0 HH2 TRP A 103 -6.246 -2.028 6.083 1.00 13.11 H new ATOM 1424 N LYS A 104 2.152 -5.916 7.212 1.00 43.13 N ATOM 1425 CA LYS A 104 3.323 -6.623 6.824 1.00 4.03 C ATOM 1426 C LYS A 104 3.077 -8.068 7.072 1.00 63.04 C ATOM 1427 O LYS A 104 2.690 -8.464 8.175 1.00 1.44 O ATOM 1428 CB LYS A 104 4.514 -6.156 7.609 1.00 43.41 C ATOM 1429 CG LYS A 104 4.933 -4.734 7.316 1.00 73.10 C ATOM 1430 CD LYS A 104 5.632 -4.150 8.513 1.00 42.10 C ATOM 1431 CE LYS A 104 6.839 -4.965 8.945 1.00 70.02 C ATOM 1432 NZ LYS A 104 7.276 -4.573 10.296 1.00 53.44 N ATOM 0 H LYS A 104 1.912 -6.012 8.199 1.00 43.13 H new ATOM 0 HA LYS A 104 3.537 -6.444 5.770 1.00 4.03 H new ATOM 0 HB2 LYS A 104 4.291 -6.245 8.672 1.00 43.41 H new ATOM 0 HB3 LYS A 104 5.354 -6.820 7.402 1.00 43.41 H new ATOM 0 HG2 LYS A 104 5.595 -4.712 6.450 1.00 73.10 H new ATOM 0 HG3 LYS A 104 4.059 -4.133 7.065 1.00 73.10 H new ATOM 0 HD2 LYS A 104 5.950 -3.133 8.282 1.00 42.10 H new ATOM 0 HD3 LYS A 104 4.928 -4.084 9.343 1.00 42.10 H new ATOM 0 HE2 LYS A 104 6.591 -6.026 8.931 1.00 70.02 H new ATOM 0 HE3 LYS A 104 7.655 -4.819 8.237 1.00 70.02 H new ATOM 0 HZ1 LYS A 104 8.012 -5.229 10.627 1.00 53.44 H new ATOM 0 HZ2 LYS A 104 7.660 -3.607 10.270 1.00 53.44 H new ATOM 0 HZ3 LYS A 104 6.465 -4.606 10.946 1.00 53.44 H new ATOM 1446 N SER A 105 3.258 -8.822 6.066 1.00 21.34 N ATOM 1447 CA SER A 105 3.025 -10.230 6.085 1.00 21.10 C ATOM 1448 C SER A 105 4.209 -10.960 6.754 1.00 53.12 C ATOM 1449 O SER A 105 5.037 -10.337 7.450 1.00 11.14 O ATOM 1450 CB SER A 105 2.783 -10.672 4.633 1.00 21.11 C ATOM 1451 OG SER A 105 2.510 -12.056 4.482 1.00 2.32 O ATOM 0 H SER A 105 3.585 -8.476 5.164 1.00 21.34 H new ATOM 0 HA SER A 105 2.148 -10.486 6.680 1.00 21.10 H new ATOM 0 HB2 SER A 105 1.947 -10.102 4.227 1.00 21.11 H new ATOM 0 HB3 SER A 105 3.660 -10.420 4.038 1.00 21.11 H new ATOM 0 HG SER A 105 2.876 -12.370 3.629 1.00 2.32 H new ATOM 1457 N ALA A 106 4.273 -12.253 6.553 1.00 21.22 N ATOM 1458 CA ALA A 106 5.255 -13.081 7.186 1.00 74.42 C ATOM 1459 C ALA A 106 6.638 -12.903 6.602 1.00 64.55 C ATOM 1460 O ALA A 106 6.787 -12.532 5.446 1.00 41.41 O ATOM 1461 CB ALA A 106 4.830 -14.540 7.148 1.00 51.23 C ATOM 0 H ALA A 106 3.636 -12.760 5.938 1.00 21.22 H new ATOM 0 HA ALA A 106 5.317 -12.760 8.226 1.00 74.42 H new ATOM 0 HB1 ALA A 106 5.589 -15.153 7.634 1.00 51.23 H new ATOM 0 HB2 ALA A 106 3.881 -14.656 7.671 1.00 51.23 H new ATOM 0 HB3 ALA A 106 4.715 -14.859 6.112 1.00 51.23 H new ATOM 1467 N ALA A 107 7.639 -13.135 7.406 1.00 12.35 N ATOM 1468 CA ALA A 107 8.986 -13.140 6.931 1.00 41.31 C ATOM 1469 C ALA A 107 9.206 -14.451 6.224 1.00 71.42 C ATOM 1470 O ALA A 107 9.210 -15.519 6.841 1.00 21.43 O ATOM 1471 CB ALA A 107 9.974 -12.973 8.070 1.00 54.20 C ATOM 0 H ALA A 107 7.540 -13.325 8.403 1.00 12.35 H new ATOM 0 HA ALA A 107 9.147 -12.303 6.252 1.00 41.31 H new ATOM 0 HB1 ALA A 107 10.990 -12.981 7.675 1.00 54.20 H new ATOM 0 HB2 ALA A 107 9.789 -12.025 8.576 1.00 54.20 H new ATOM 0 HB3 ALA A 107 9.854 -13.792 8.779 1.00 54.20 H new ATOM 1477 N GLN A 108 9.309 -14.387 4.953 1.00 2.52 N ATOM 1478 CA GLN A 108 9.449 -15.548 4.154 1.00 21.42 C ATOM 1479 C GLN A 108 10.910 -15.819 3.846 1.00 30.41 C ATOM 1480 O GLN A 108 11.700 -14.884 3.598 1.00 53.04 O ATOM 1481 CB GLN A 108 8.493 -15.475 2.965 1.00 12.13 C ATOM 1482 CG GLN A 108 7.047 -15.683 3.441 1.00 14.43 C ATOM 1483 CD GLN A 108 5.998 -14.825 2.759 1.00 4.12 C ATOM 1484 OE1 GLN A 108 5.426 -15.202 1.736 1.00 14.22 O ATOM 1485 NE2 GLN A 108 5.716 -13.682 3.341 1.00 72.52 N ATOM 0 H GLN A 108 9.299 -13.514 4.426 1.00 2.52 H new ATOM 0 HA GLN A 108 9.140 -16.442 4.696 1.00 21.42 H new ATOM 0 HB2 GLN A 108 8.587 -14.508 2.471 1.00 12.13 H new ATOM 0 HB3 GLN A 108 8.756 -16.235 2.229 1.00 12.13 H new ATOM 0 HG2 GLN A 108 6.783 -16.731 3.295 1.00 14.43 H new ATOM 0 HG3 GLN A 108 7.006 -15.490 4.513 1.00 14.43 H new ATOM 0 HE21 GLN A 108 6.212 -13.405 4.188 1.00 72.52 H new ATOM 0 HE22 GLN A 108 5.001 -13.071 2.946 1.00 72.52 H new ATOM 1494 N ARG A 109 11.245 -17.097 3.881 1.00 35.31 N ATOM 1495 CA ARG A 109 12.623 -17.590 3.908 1.00 43.30 C ATOM 1496 C ARG A 109 13.494 -17.202 2.737 1.00 52.23 C ATOM 1497 O ARG A 109 13.221 -17.543 1.578 1.00 35.23 O ATOM 1498 CB ARG A 109 12.689 -19.109 4.165 1.00 20.34 C ATOM 1499 CG ARG A 109 12.572 -19.527 5.638 1.00 74.41 C ATOM 1500 CD ARG A 109 11.290 -19.043 6.298 1.00 43.43 C ATOM 1501 NE ARG A 109 11.217 -19.456 7.702 1.00 13.23 N ATOM 1502 CZ ARG A 109 10.737 -18.720 8.714 1.00 20.23 C ATOM 1503 NH1 ARG A 109 10.362 -17.459 8.529 1.00 53.32 N ATOM 1504 NH2 ARG A 109 10.666 -19.255 9.917 1.00 75.13 N ATOM 0 H ARG A 109 10.552 -17.845 3.892 1.00 35.31 H new ATOM 0 HA ARG A 109 13.058 -17.061 4.756 1.00 43.30 H new ATOM 0 HB2 ARG A 109 11.890 -19.592 3.602 1.00 20.34 H new ATOM 0 HB3 ARG A 109 13.632 -19.488 3.770 1.00 20.34 H new ATOM 0 HG2 ARG A 109 12.620 -20.614 5.705 1.00 74.41 H new ATOM 0 HG3 ARG A 109 13.427 -19.135 6.189 1.00 74.41 H new ATOM 0 HD2 ARG A 109 11.235 -17.956 6.235 1.00 43.43 H new ATOM 0 HD3 ARG A 109 10.430 -19.438 5.757 1.00 43.43 H new ATOM 0 HE ARG A 109 11.563 -20.388 7.930 1.00 13.23 H new ATOM 0 HH11 ARG A 109 10.437 -17.035 7.604 1.00 53.32 H new ATOM 0 HH12 ARG A 109 9.999 -16.915 9.312 1.00 53.32 H new ATOM 0 HH21 ARG A 109 10.974 -20.216 10.067 1.00 75.13 H new ATOM 0 HH22 ARG A 109 10.303 -18.708 10.698 1.00 75.13 H new ATOM 1518 N SER A 110 14.545 -16.518 3.070 1.00 1.34 N ATOM 1519 CA SER A 110 15.570 -16.112 2.178 1.00 2.55 C ATOM 1520 C SER A 110 16.818 -15.961 3.055 1.00 54.44 C ATOM 1521 O SER A 110 16.937 -15.026 3.851 1.00 32.14 O ATOM 1522 CB SER A 110 15.187 -14.805 1.453 1.00 45.32 C ATOM 1523 OG SER A 110 16.106 -14.489 0.404 1.00 23.43 O ATOM 0 H SER A 110 14.713 -16.214 4.029 1.00 1.34 H new ATOM 0 HA SER A 110 15.741 -16.833 1.379 1.00 2.55 H new ATOM 0 HB2 SER A 110 14.183 -14.900 1.040 1.00 45.32 H new ATOM 0 HB3 SER A 110 15.160 -13.986 2.171 1.00 45.32 H new ATOM 0 HG SER A 110 15.613 -14.345 -0.431 1.00 23.43 H new ATOM 1529 N HIS A 111 17.710 -16.909 2.925 1.00 2.33 N ATOM 1530 CA HIS A 111 18.864 -17.092 3.823 1.00 2.13 C ATOM 1531 C HIS A 111 20.010 -16.100 3.595 1.00 0.03 C ATOM 1532 O HIS A 111 21.094 -16.265 4.135 1.00 24.45 O ATOM 1533 CB HIS A 111 19.387 -18.533 3.722 1.00 52.41 C ATOM 1534 CG HIS A 111 18.396 -19.587 4.147 1.00 12.14 C ATOM 1535 ND1 HIS A 111 18.368 -20.158 5.397 1.00 31.52 N ATOM 1536 CD2 HIS A 111 17.389 -20.175 3.452 1.00 63.12 C ATOM 1537 CE1 HIS A 111 17.374 -21.047 5.421 1.00 64.43 C ATOM 1538 NE2 HIS A 111 16.744 -21.098 4.265 1.00 45.21 N ATOM 0 H HIS A 111 17.669 -17.603 2.178 1.00 2.33 H new ATOM 0 HA HIS A 111 18.492 -16.889 4.827 1.00 2.13 H new ATOM 0 HB2 HIS A 111 19.685 -18.727 2.692 1.00 52.41 H new ATOM 0 HB3 HIS A 111 20.283 -18.625 4.336 1.00 52.41 H new ATOM 0 HD2 HIS A 111 17.130 -19.959 2.426 1.00 63.12 H new ATOM 0 HE1 HIS A 111 17.118 -21.649 6.280 1.00 64.43 H new ATOM 0 HE2 HIS A 111 15.951 -21.690 4.019 1.00 45.21 H new ATOM 1546 N ASP A 112 19.770 -15.067 2.842 1.00 62.53 N ATOM 1547 CA ASP A 112 20.834 -14.127 2.478 1.00 34.11 C ATOM 1548 C ASP A 112 20.915 -12.950 3.442 1.00 43.24 C ATOM 1549 O ASP A 112 21.553 -11.957 3.141 1.00 12.33 O ATOM 1550 CB ASP A 112 20.617 -13.597 1.064 1.00 31.53 C ATOM 1551 CG ASP A 112 20.561 -14.677 0.016 1.00 14.40 C ATOM 1552 OD1 ASP A 112 21.586 -15.345 -0.230 1.00 63.31 O ATOM 1553 OD2 ASP A 112 19.488 -14.863 -0.601 1.00 75.34 O ATOM 0 H ASP A 112 18.853 -14.839 2.459 1.00 62.53 H new ATOM 0 HA ASP A 112 21.773 -14.678 2.531 1.00 34.11 H new ATOM 0 HB2 ASP A 112 19.688 -13.028 1.037 1.00 31.53 H new ATOM 0 HB3 ASP A 112 21.422 -12.905 0.817 1.00 31.53 H new ATOM 1558 N GLN A 113 20.294 -13.091 4.613 1.00 32.15 N ATOM 1559 CA GLN A 113 20.188 -12.019 5.643 1.00 12.20 C ATOM 1560 C GLN A 113 19.202 -10.936 5.163 1.00 60.20 C ATOM 1561 O GLN A 113 19.095 -9.837 5.718 1.00 54.12 O ATOM 1562 CB GLN A 113 21.567 -11.427 6.054 1.00 24.52 C ATOM 1563 CG GLN A 113 21.517 -10.460 7.239 1.00 73.45 C ATOM 1564 CD GLN A 113 22.853 -9.824 7.577 1.00 71.21 C ATOM 1565 OE1 GLN A 113 22.899 -8.687 8.043 1.00 65.31 O ATOM 1566 NE2 GLN A 113 23.927 -10.535 7.396 1.00 72.43 N ATOM 0 H GLN A 113 19.839 -13.960 4.891 1.00 32.15 H new ATOM 0 HA GLN A 113 19.796 -12.469 6.555 1.00 12.20 H new ATOM 0 HB2 GLN A 113 22.241 -12.247 6.300 1.00 24.52 H new ATOM 0 HB3 GLN A 113 21.995 -10.908 5.196 1.00 24.52 H new ATOM 0 HG2 GLN A 113 20.796 -9.672 7.021 1.00 73.45 H new ATOM 0 HG3 GLN A 113 21.149 -10.994 8.115 1.00 73.45 H new ATOM 0 HE21 GLN A 113 23.857 -11.475 7.007 1.00 72.43 H new ATOM 0 HE22 GLN A 113 24.840 -10.152 7.643 1.00 72.43 H new ATOM 1575 N LYS A 114 18.461 -11.276 4.153 1.00 14.25 N ATOM 1576 CA LYS A 114 17.421 -10.443 3.677 1.00 24.32 C ATOM 1577 C LYS A 114 16.218 -11.304 3.487 1.00 1.21 C ATOM 1578 O LYS A 114 16.268 -12.297 2.781 1.00 35.21 O ATOM 1579 CB LYS A 114 17.830 -9.613 2.407 1.00 1.01 C ATOM 1580 CG LYS A 114 18.114 -10.369 1.088 1.00 64.01 C ATOM 1581 CD LYS A 114 16.829 -10.651 0.299 1.00 12.42 C ATOM 1582 CE LYS A 114 17.095 -11.325 -1.044 1.00 42.31 C ATOM 1583 NZ LYS A 114 17.717 -12.660 -0.909 1.00 35.21 N ATOM 0 H LYS A 114 18.569 -12.149 3.637 1.00 14.25 H new ATOM 0 HA LYS A 114 17.191 -9.666 4.407 1.00 24.32 H new ATOM 0 HB2 LYS A 114 17.035 -8.894 2.212 1.00 1.01 H new ATOM 0 HB3 LYS A 114 18.723 -9.041 2.659 1.00 1.01 H new ATOM 0 HG2 LYS A 114 18.795 -9.781 0.473 1.00 64.01 H new ATOM 0 HG3 LYS A 114 18.617 -11.310 1.311 1.00 64.01 H new ATOM 0 HD2 LYS A 114 16.174 -11.286 0.895 1.00 12.42 H new ATOM 0 HD3 LYS A 114 16.298 -9.714 0.131 1.00 12.42 H new ATOM 0 HE2 LYS A 114 16.155 -11.422 -1.588 1.00 42.31 H new ATOM 0 HE3 LYS A 114 17.745 -10.686 -1.642 1.00 42.31 H new ATOM 0 HZ1 LYS A 114 17.688 -13.151 -1.825 1.00 35.21 H new ATOM 0 HZ2 LYS A 114 18.706 -12.553 -0.604 1.00 35.21 H new ATOM 0 HZ3 LYS A 114 17.195 -13.216 -0.202 1.00 35.21 H new ATOM 1597 N ILE A 115 15.196 -10.992 4.198 1.00 43.23 N ATOM 1598 CA ILE A 115 13.962 -11.723 4.134 1.00 52.32 C ATOM 1599 C ILE A 115 13.054 -11.065 3.148 1.00 13.23 C ATOM 1600 O ILE A 115 13.330 -9.951 2.694 1.00 65.33 O ATOM 1601 CB ILE A 115 13.249 -11.766 5.512 1.00 4.44 C ATOM 1602 CG1 ILE A 115 13.205 -10.349 6.127 1.00 41.21 C ATOM 1603 CG2 ILE A 115 13.912 -12.769 6.443 1.00 70.40 C ATOM 1604 CD1 ILE A 115 12.442 -10.237 7.424 1.00 23.24 C ATOM 0 H ILE A 115 15.183 -10.211 4.854 1.00 43.23 H new ATOM 0 HA ILE A 115 14.192 -12.745 3.833 1.00 52.32 H new ATOM 0 HB ILE A 115 12.223 -12.103 5.367 1.00 4.44 H new ATOM 0 HG12 ILE A 115 14.228 -10.011 6.295 1.00 41.21 H new ATOM 0 HG13 ILE A 115 12.759 -9.669 5.401 1.00 41.21 H new ATOM 0 HG21 ILE A 115 13.391 -12.777 7.400 1.00 70.40 H new ATOM 0 HG22 ILE A 115 13.868 -13.763 5.998 1.00 70.40 H new ATOM 0 HG23 ILE A 115 14.953 -12.487 6.599 1.00 70.40 H new ATOM 0 HD11 ILE A 115 12.469 -9.205 7.774 1.00 23.24 H new ATOM 0 HD12 ILE A 115 11.407 -10.539 7.264 1.00 23.24 H new ATOM 0 HD13 ILE A 115 12.898 -10.886 8.172 1.00 23.24 H new ATOM 1616 N ARG A 116 11.996 -11.728 2.806 1.00 4.34 N ATOM 1617 CA ARG A 116 11.020 -11.131 1.964 1.00 23.54 C ATOM 1618 C ARG A 116 9.699 -11.219 2.659 1.00 0.51 C ATOM 1619 O ARG A 116 9.385 -12.232 3.285 1.00 61.11 O ATOM 1620 CB ARG A 116 10.957 -11.753 0.552 1.00 44.52 C ATOM 1621 CG ARG A 116 10.481 -13.192 0.487 1.00 0.14 C ATOM 1622 CD ARG A 116 10.296 -13.626 -0.954 1.00 10.43 C ATOM 1623 NE ARG A 116 9.737 -14.972 -1.057 1.00 0.45 N ATOM 1624 CZ ARG A 116 8.806 -15.367 -1.941 1.00 63.20 C ATOM 1625 NH1 ARG A 116 8.326 -14.517 -2.844 1.00 3.33 N ATOM 1626 NH2 ARG A 116 8.373 -16.620 -1.922 1.00 34.41 N ATOM 0 H ARG A 116 11.789 -12.683 3.099 1.00 4.34 H new ATOM 0 HA ARG A 116 11.300 -10.091 1.795 1.00 23.54 H new ATOM 0 HB2 ARG A 116 10.297 -11.143 -0.064 1.00 44.52 H new ATOM 0 HB3 ARG A 116 11.950 -11.698 0.106 1.00 44.52 H new ATOM 0 HG2 ARG A 116 11.204 -13.843 0.979 1.00 0.14 H new ATOM 0 HG3 ARG A 116 9.540 -13.295 1.027 1.00 0.14 H new ATOM 0 HD2 ARG A 116 9.638 -12.921 -1.462 1.00 10.43 H new ATOM 0 HD3 ARG A 116 11.257 -13.593 -1.468 1.00 10.43 H new ATOM 0 HE ARG A 116 10.084 -15.672 -0.401 1.00 0.45 H new ATOM 0 HH11 ARG A 116 8.665 -13.555 -2.870 1.00 3.33 H new ATOM 0 HH12 ARG A 116 7.619 -14.827 -3.511 1.00 3.33 H new ATOM 0 HH21 ARG A 116 8.747 -17.278 -1.238 1.00 34.41 H new ATOM 0 HH22 ARG A 116 7.666 -16.926 -2.591 1.00 34.41 H new ATOM 1640 N TRP A 117 8.978 -10.176 2.613 1.00 13.43 N ATOM 1641 CA TRP A 117 7.700 -10.104 3.228 1.00 3.25 C ATOM 1642 C TRP A 117 6.761 -9.468 2.246 1.00 10.34 C ATOM 1643 O TRP A 117 7.189 -9.032 1.180 1.00 74.42 O ATOM 1644 CB TRP A 117 7.778 -9.297 4.551 1.00 74.12 C ATOM 1645 CG TRP A 117 8.270 -7.880 4.386 1.00 55.23 C ATOM 1646 CD1 TRP A 117 7.506 -6.776 4.229 1.00 62.23 C ATOM 1647 CD2 TRP A 117 9.632 -7.427 4.368 1.00 40.43 C ATOM 1648 NE1 TRP A 117 8.298 -5.660 4.097 1.00 11.35 N ATOM 1649 CE2 TRP A 117 9.605 -6.034 4.179 1.00 20.12 C ATOM 1650 CE3 TRP A 117 10.865 -8.064 4.483 1.00 24.42 C ATOM 1651 CZ2 TRP A 117 10.765 -5.271 4.110 1.00 12.41 C ATOM 1652 CZ3 TRP A 117 12.013 -7.303 4.414 1.00 21.54 C ATOM 1653 CH2 TRP A 117 11.954 -5.924 4.228 1.00 13.34 C ATOM 0 H TRP A 117 9.258 -9.319 2.136 1.00 13.43 H new ATOM 0 HA TRP A 117 7.339 -11.099 3.490 1.00 3.25 H new ATOM 0 HB2 TRP A 117 6.789 -9.275 5.008 1.00 74.12 H new ATOM 0 HB3 TRP A 117 8.438 -9.820 5.244 1.00 74.12 H new ATOM 0 HD1 TRP A 117 6.426 -6.771 4.210 1.00 62.23 H new ATOM 0 HE1 TRP A 117 7.961 -4.707 3.960 1.00 11.35 H new ATOM 0 HE3 TRP A 117 10.921 -9.133 4.624 1.00 24.42 H new ATOM 0 HZ2 TRP A 117 10.725 -4.201 3.968 1.00 12.41 H new ATOM 0 HZ3 TRP A 117 12.975 -7.785 4.506 1.00 21.54 H new ATOM 0 HH2 TRP A 117 12.873 -5.359 4.176 1.00 13.34 H new ATOM 1664 N ASP A 118 5.526 -9.428 2.555 1.00 15.44 N ATOM 1665 CA ASP A 118 4.571 -8.813 1.674 1.00 1.21 C ATOM 1666 C ASP A 118 4.017 -7.645 2.417 1.00 31.53 C ATOM 1667 O ASP A 118 3.793 -7.743 3.624 1.00 55.52 O ATOM 1668 CB ASP A 118 3.403 -9.759 1.334 1.00 14.12 C ATOM 1669 CG ASP A 118 3.818 -11.202 1.063 1.00 73.01 C ATOM 1670 OD1 ASP A 118 4.078 -11.562 -0.115 1.00 52.34 O ATOM 1671 OD2 ASP A 118 3.860 -12.024 2.033 1.00 64.31 O ATOM 0 H ASP A 118 5.133 -9.812 3.414 1.00 15.44 H new ATOM 0 HA ASP A 118 5.060 -8.542 0.738 1.00 1.21 H new ATOM 0 HB2 ASP A 118 2.691 -9.748 2.159 1.00 14.12 H new ATOM 0 HB3 ASP A 118 2.882 -9.373 0.458 1.00 14.12 H new ATOM 1676 N GLU A 119 3.834 -6.557 1.762 1.00 43.52 N ATOM 1677 CA GLU A 119 3.220 -5.411 2.413 1.00 60.43 C ATOM 1678 C GLU A 119 1.936 -5.034 1.747 1.00 65.41 C ATOM 1679 O GLU A 119 1.783 -5.176 0.534 1.00 64.41 O ATOM 1680 CB GLU A 119 4.154 -4.192 2.575 1.00 33.41 C ATOM 1681 CG GLU A 119 5.196 -4.380 3.656 1.00 63.24 C ATOM 1682 CD GLU A 119 6.029 -3.150 3.945 1.00 32.23 C ATOM 1683 OE1 GLU A 119 5.536 -2.202 4.564 1.00 32.01 O ATOM 1684 OE2 GLU A 119 7.232 -3.135 3.611 1.00 75.13 O ATOM 0 H GLU A 119 4.090 -6.416 0.785 1.00 43.52 H new ATOM 0 HA GLU A 119 3.003 -5.738 3.430 1.00 60.43 H new ATOM 0 HB2 GLU A 119 4.655 -3.997 1.627 1.00 33.41 H new ATOM 0 HB3 GLU A 119 3.555 -3.311 2.806 1.00 33.41 H new ATOM 0 HG2 GLU A 119 4.697 -4.689 4.574 1.00 63.24 H new ATOM 0 HG3 GLU A 119 5.861 -5.193 3.365 1.00 63.24 H new ATOM 1691 N ALA A 120 1.014 -4.607 2.532 1.00 44.34 N ATOM 1692 CA ALA A 120 -0.261 -4.181 2.046 1.00 15.33 C ATOM 1693 C ALA A 120 -0.581 -2.869 2.687 1.00 43.11 C ATOM 1694 O ALA A 120 -0.720 -2.799 3.874 1.00 21.03 O ATOM 1695 CB ALA A 120 -1.316 -5.213 2.407 1.00 31.42 C ATOM 0 H ALA A 120 1.119 -4.540 3.544 1.00 44.34 H new ATOM 0 HA ALA A 120 -0.243 -4.074 0.961 1.00 15.33 H new ATOM 0 HB1 ALA A 120 -2.287 -4.886 2.035 1.00 31.42 H new ATOM 0 HB2 ALA A 120 -1.058 -6.171 1.955 1.00 31.42 H new ATOM 0 HB3 ALA A 120 -1.361 -5.324 3.490 1.00 31.42 H new ATOM 1701 N GLU A 121 -0.698 -1.845 1.922 1.00 62.30 N ATOM 1702 CA GLU A 121 -0.934 -0.547 2.473 1.00 35.04 C ATOM 1703 C GLU A 121 -2.158 0.109 1.873 1.00 43.54 C ATOM 1704 O GLU A 121 -2.213 0.404 0.684 1.00 5.51 O ATOM 1705 CB GLU A 121 0.329 0.320 2.394 1.00 23.32 C ATOM 1706 CG GLU A 121 0.952 0.421 1.021 1.00 71.04 C ATOM 1707 CD GLU A 121 2.275 1.132 1.049 1.00 14.23 C ATOM 1708 OE1 GLU A 121 2.354 2.261 1.585 1.00 72.12 O ATOM 1709 OE2 GLU A 121 3.249 0.626 0.475 1.00 35.23 O ATOM 0 H GLU A 121 -0.635 -1.874 0.904 1.00 62.30 H new ATOM 0 HA GLU A 121 -1.162 -0.663 3.533 1.00 35.04 H new ATOM 0 HB2 GLU A 121 0.084 1.324 2.740 1.00 23.32 H new ATOM 0 HB3 GLU A 121 1.071 -0.082 3.084 1.00 23.32 H new ATOM 0 HG2 GLU A 121 1.088 -0.580 0.611 1.00 71.04 H new ATOM 0 HG3 GLU A 121 0.272 0.949 0.353 1.00 71.04 H new ATOM 1716 N ALA A 122 -3.141 0.278 2.696 1.00 3.31 N ATOM 1717 CA ALA A 122 -4.380 0.886 2.322 1.00 1.21 C ATOM 1718 C ALA A 122 -4.354 2.375 2.657 1.00 12.15 C ATOM 1719 O ALA A 122 -4.019 2.766 3.784 1.00 12.11 O ATOM 1720 CB ALA A 122 -5.523 0.198 3.055 1.00 72.44 C ATOM 0 H ALA A 122 -3.105 -0.010 3.674 1.00 3.31 H new ATOM 0 HA ALA A 122 -4.528 0.776 1.248 1.00 1.21 H new ATOM 0 HB1 ALA A 122 -6.468 0.661 2.771 1.00 72.44 H new ATOM 0 HB2 ALA A 122 -5.542 -0.859 2.789 1.00 72.44 H new ATOM 0 HB3 ALA A 122 -5.379 0.299 4.131 1.00 72.44 H new ATOM 1726 N TYR A 123 -4.687 3.183 1.681 1.00 62.22 N ATOM 1727 CA TYR A 123 -4.723 4.621 1.815 1.00 54.32 C ATOM 1728 C TYR A 123 -6.175 5.067 1.786 1.00 61.11 C ATOM 1729 O TYR A 123 -6.884 4.852 0.784 1.00 32.33 O ATOM 1730 CB TYR A 123 -4.004 5.300 0.634 1.00 40.02 C ATOM 1731 CG TYR A 123 -2.596 4.823 0.360 1.00 51.41 C ATOM 1732 CD1 TYR A 123 -2.367 3.686 -0.406 1.00 24.02 C ATOM 1733 CD2 TYR A 123 -1.504 5.512 0.844 1.00 2.10 C ATOM 1734 CE1 TYR A 123 -1.097 3.255 -0.680 1.00 63.40 C ATOM 1735 CE2 TYR A 123 -0.221 5.085 0.579 1.00 62.23 C ATOM 1736 CZ TYR A 123 -0.025 3.959 -0.188 1.00 51.34 C ATOM 1737 OH TYR A 123 1.252 3.536 -0.459 1.00 41.33 O ATOM 0 H TYR A 123 -4.946 2.854 0.751 1.00 62.22 H new ATOM 0 HA TYR A 123 -4.231 4.898 2.747 1.00 54.32 H new ATOM 0 HB2 TYR A 123 -4.600 5.149 -0.266 1.00 40.02 H new ATOM 0 HB3 TYR A 123 -3.974 6.374 0.820 1.00 40.02 H new ATOM 0 HD1 TYR A 123 -3.209 3.131 -0.793 1.00 24.02 H new ATOM 0 HD2 TYR A 123 -1.657 6.400 1.440 1.00 2.10 H new ATOM 0 HE1 TYR A 123 -0.939 2.369 -1.278 1.00 63.40 H new ATOM 0 HE2 TYR A 123 0.625 5.630 0.970 1.00 62.23 H new ATOM 0 HH TYR A 123 1.741 3.414 0.381 1.00 41.33 H new ATOM 1747 N ILE A 124 -6.615 5.654 2.846 1.00 23.42 N ATOM 1748 CA ILE A 124 -7.967 6.187 2.953 1.00 20.22 C ATOM 1749 C ILE A 124 -7.826 7.681 3.104 1.00 4.32 C ATOM 1750 O ILE A 124 -6.804 8.139 3.612 1.00 61.13 O ATOM 1751 CB ILE A 124 -8.687 5.636 4.229 1.00 55.44 C ATOM 1752 CG1 ILE A 124 -8.762 4.113 4.227 1.00 21.03 C ATOM 1753 CG2 ILE A 124 -10.087 6.240 4.426 1.00 54.04 C ATOM 1754 CD1 ILE A 124 -9.474 3.556 5.446 1.00 41.45 C ATOM 0 H ILE A 124 -6.052 5.789 3.686 1.00 23.42 H new ATOM 0 HA ILE A 124 -8.551 5.903 2.077 1.00 20.22 H new ATOM 0 HB ILE A 124 -8.073 5.948 5.074 1.00 55.44 H new ATOM 0 HG12 ILE A 124 -9.279 3.781 3.327 1.00 21.03 H new ATOM 0 HG13 ILE A 124 -7.752 3.704 4.184 1.00 21.03 H new ATOM 0 HG21 ILE A 124 -10.540 5.823 5.325 1.00 54.04 H new ATOM 0 HG22 ILE A 124 -10.005 7.322 4.530 1.00 54.04 H new ATOM 0 HG23 ILE A 124 -10.710 6.004 3.563 1.00 54.04 H new ATOM 0 HD11 ILE A 124 -9.496 2.468 5.389 1.00 41.45 H new ATOM 0 HD12 ILE A 124 -8.944 3.861 6.348 1.00 41.45 H new ATOM 0 HD13 ILE A 124 -10.494 3.939 5.478 1.00 41.45 H new ATOM 1766 N TRP A 125 -8.786 8.443 2.665 1.00 42.12 N ATOM 1767 CA TRP A 125 -8.709 9.844 2.887 1.00 32.33 C ATOM 1768 C TRP A 125 -10.053 10.349 3.338 1.00 33.21 C ATOM 1769 O TRP A 125 -11.118 9.730 3.030 1.00 73.11 O ATOM 1770 CB TRP A 125 -8.162 10.617 1.643 1.00 14.33 C ATOM 1771 CG TRP A 125 -9.180 11.161 0.651 1.00 3.15 C ATOM 1772 CD1 TRP A 125 -9.426 12.481 0.405 1.00 12.32 C ATOM 1773 CD2 TRP A 125 -10.068 10.431 -0.215 1.00 34.22 C ATOM 1774 NE1 TRP A 125 -10.389 12.613 -0.554 1.00 40.13 N ATOM 1775 CE2 TRP A 125 -10.804 11.378 -0.949 1.00 41.34 C ATOM 1776 CE3 TRP A 125 -10.311 9.087 -0.440 1.00 52.30 C ATOM 1777 CZ2 TRP A 125 -11.759 11.015 -1.890 1.00 70.04 C ATOM 1778 CZ3 TRP A 125 -11.258 8.724 -1.372 1.00 0.12 C ATOM 1779 CH2 TRP A 125 -11.972 9.685 -2.087 1.00 42.02 C ATOM 0 H TRP A 125 -9.612 8.120 2.162 1.00 42.12 H new ATOM 0 HA TRP A 125 -7.984 10.034 3.679 1.00 32.33 H new ATOM 0 HB2 TRP A 125 -7.563 11.453 2.003 1.00 14.33 H new ATOM 0 HB3 TRP A 125 -7.488 9.952 1.103 1.00 14.33 H new ATOM 0 HD1 TRP A 125 -8.930 13.304 0.898 1.00 12.32 H new ATOM 0 HE1 TRP A 125 -10.742 13.498 -0.917 1.00 40.13 H new ATOM 0 HE3 TRP A 125 -9.765 8.333 0.108 1.00 52.30 H new ATOM 0 HZ2 TRP A 125 -12.311 11.759 -2.444 1.00 70.04 H new ATOM 0 HZ3 TRP A 125 -11.451 7.677 -1.552 1.00 0.12 H new ATOM 0 HH2 TRP A 125 -12.708 9.368 -2.811 1.00 42.02 H new ATOM 1790 N ARG A 126 -10.018 11.387 4.125 1.00 43.41 N ATOM 1791 CA ARG A 126 -11.202 12.066 4.494 1.00 42.34 C ATOM 1792 C ARG A 126 -11.641 12.892 3.339 1.00 2.44 C ATOM 1793 O ARG A 126 -10.962 13.848 2.928 1.00 3.33 O ATOM 1794 CB ARG A 126 -11.034 12.895 5.752 1.00 24.30 C ATOM 1795 CG ARG A 126 -11.380 12.153 7.019 1.00 22.04 C ATOM 1796 CD ARG A 126 -11.143 13.029 8.234 1.00 42.45 C ATOM 1797 NE ARG A 126 -11.822 12.523 9.437 1.00 71.23 N ATOM 1798 CZ ARG A 126 -11.576 12.953 10.679 1.00 4.31 C ATOM 1799 NH1 ARG A 126 -10.426 13.515 10.966 1.00 33.30 N ATOM 1800 NH2 ARG A 126 -12.441 12.703 11.651 1.00 45.43 N ATOM 0 H ARG A 126 -9.163 11.777 4.522 1.00 43.41 H new ATOM 0 HA ARG A 126 -11.971 11.333 4.739 1.00 42.34 H new ATOM 0 HB2 ARG A 126 -10.002 13.240 5.814 1.00 24.30 H new ATOM 0 HB3 ARG A 126 -11.663 13.782 5.678 1.00 24.30 H new ATOM 0 HG2 ARG A 126 -12.423 11.839 6.989 1.00 22.04 H new ATOM 0 HG3 ARG A 126 -10.776 11.248 7.093 1.00 22.04 H new ATOM 0 HD2 ARG A 126 -10.072 13.095 8.426 1.00 42.45 H new ATOM 0 HD3 ARG A 126 -11.492 14.040 8.022 1.00 42.45 H new ATOM 0 HE ARG A 126 -12.527 11.796 9.316 1.00 71.23 H new ATOM 0 HH11 ARG A 126 -9.717 13.625 10.241 1.00 33.30 H new ATOM 0 HH12 ARG A 126 -10.241 13.842 11.914 1.00 33.30 H new ATOM 0 HH21 ARG A 126 -13.295 12.182 11.452 1.00 45.43 H new ATOM 0 HH22 ARG A 126 -12.253 13.031 12.598 1.00 45.43 H new ATOM 1814 N ARG A 127 -12.742 12.503 2.811 1.00 55.22 N ATOM 1815 CA ARG A 127 -13.283 13.067 1.635 1.00 54.10 C ATOM 1816 C ARG A 127 -13.830 14.433 1.993 1.00 60.41 C ATOM 1817 O ARG A 127 -14.541 14.576 2.989 1.00 13.03 O ATOM 1818 CB ARG A 127 -14.372 12.120 1.110 1.00 11.21 C ATOM 1819 CG ARG A 127 -14.906 12.442 -0.263 1.00 33.01 C ATOM 1820 CD ARG A 127 -15.908 11.395 -0.717 1.00 54.55 C ATOM 1821 NE ARG A 127 -16.375 11.633 -2.084 1.00 22.23 N ATOM 1822 CZ ARG A 127 -17.330 10.937 -2.713 1.00 32.11 C ATOM 1823 NH1 ARG A 127 -18.000 9.972 -2.079 1.00 34.33 N ATOM 1824 NH2 ARG A 127 -17.624 11.220 -3.970 1.00 64.52 N ATOM 0 H ARG A 127 -13.312 11.753 3.203 1.00 55.22 H new ATOM 0 HA ARG A 127 -12.539 13.190 0.848 1.00 54.10 H new ATOM 0 HB2 ARG A 127 -13.972 11.106 1.096 1.00 11.21 H new ATOM 0 HB3 ARG A 127 -15.204 12.125 1.815 1.00 11.21 H new ATOM 0 HG2 ARG A 127 -15.380 13.423 -0.252 1.00 33.01 H new ATOM 0 HG3 ARG A 127 -14.082 12.494 -0.974 1.00 33.01 H new ATOM 0 HD2 ARG A 127 -15.451 10.407 -0.658 1.00 54.55 H new ATOM 0 HD3 ARG A 127 -16.761 11.393 -0.039 1.00 54.55 H new ATOM 0 HE ARG A 127 -15.935 12.394 -2.601 1.00 22.23 H new ATOM 0 HH11 ARG A 127 -17.786 9.758 -1.105 1.00 34.33 H new ATOM 0 HH12 ARG A 127 -18.726 9.448 -2.569 1.00 34.33 H new ATOM 0 HH21 ARG A 127 -17.124 11.965 -4.455 1.00 64.52 H new ATOM 0 HH22 ARG A 127 -18.351 10.693 -4.455 1.00 64.52 H new ATOM 1838 N LYS A 128 -13.509 15.426 1.185 1.00 52.41 N ATOM 1839 CA LYS A 128 -13.866 16.828 1.452 1.00 44.42 C ATOM 1840 C LYS A 128 -15.377 17.041 1.490 1.00 34.04 C ATOM 1841 O LYS A 128 -15.864 18.044 1.988 1.00 54.11 O ATOM 1842 CB LYS A 128 -13.183 17.753 0.447 1.00 61.33 C ATOM 1843 CG LYS A 128 -11.668 17.629 0.478 1.00 24.42 C ATOM 1844 CD LYS A 128 -10.993 18.571 -0.496 1.00 0.21 C ATOM 1845 CE LYS A 128 -9.476 18.399 -0.471 1.00 1.21 C ATOM 1846 NZ LYS A 128 -8.892 18.647 0.875 1.00 23.43 N ATOM 0 H LYS A 128 -12.990 15.293 0.317 1.00 52.41 H new ATOM 0 HA LYS A 128 -13.500 17.082 2.447 1.00 44.42 H new ATOM 0 HB2 LYS A 128 -13.543 17.523 -0.556 1.00 61.33 H new ATOM 0 HB3 LYS A 128 -13.464 18.785 0.658 1.00 61.33 H new ATOM 0 HG2 LYS A 128 -11.310 17.835 1.487 1.00 24.42 H new ATOM 0 HG3 LYS A 128 -11.385 16.603 0.243 1.00 24.42 H new ATOM 0 HD2 LYS A 128 -11.366 18.385 -1.503 1.00 0.21 H new ATOM 0 HD3 LYS A 128 -11.249 19.601 -0.246 1.00 0.21 H new ATOM 0 HE2 LYS A 128 -9.224 17.388 -0.791 1.00 1.21 H new ATOM 0 HE3 LYS A 128 -9.025 19.083 -1.190 1.00 1.21 H new ATOM 0 HZ1 LYS A 128 -7.856 18.701 0.799 1.00 23.43 H new ATOM 0 HZ2 LYS A 128 -9.259 19.544 1.253 1.00 23.43 H new ATOM 0 HZ3 LYS A 128 -9.152 17.870 1.515 1.00 23.43 H new ATOM 1860 N ASP A 129 -16.092 16.065 0.980 1.00 21.51 N ATOM 1861 CA ASP A 129 -17.550 16.003 1.040 1.00 64.30 C ATOM 1862 C ASP A 129 -18.040 15.863 2.504 1.00 10.11 C ATOM 1863 O ASP A 129 -19.194 16.170 2.822 1.00 32.11 O ATOM 1864 CB ASP A 129 -18.009 14.795 0.198 1.00 72.40 C ATOM 1865 CG ASP A 129 -19.429 14.356 0.458 1.00 0.14 C ATOM 1866 OD1 ASP A 129 -20.380 15.033 0.022 1.00 43.00 O ATOM 1867 OD2 ASP A 129 -19.612 13.288 1.089 1.00 73.02 O ATOM 0 H ASP A 129 -15.674 15.269 0.498 1.00 21.51 H new ATOM 0 HA ASP A 129 -17.976 16.925 0.644 1.00 64.30 H new ATOM 0 HB2 ASP A 129 -17.906 15.044 -0.858 1.00 72.40 H new ATOM 0 HB3 ASP A 129 -17.341 13.956 0.394 1.00 72.40 H new ATOM 1872 N GLY A 130 -17.135 15.481 3.390 1.00 71.13 N ATOM 1873 CA GLY A 130 -17.466 15.315 4.793 1.00 71.52 C ATOM 1874 C GLY A 130 -17.443 13.867 5.189 1.00 5.44 C ATOM 1875 O GLY A 130 -17.565 13.517 6.364 1.00 13.31 O ATOM 0 H GLY A 130 -16.162 15.280 3.160 1.00 71.13 H new ATOM 0 HA2 GLY A 130 -16.758 15.873 5.405 1.00 71.52 H new ATOM 0 HA3 GLY A 130 -18.454 15.732 4.988 1.00 71.52 H new ATOM 1879 N SER A 131 -17.268 13.033 4.213 1.00 61.31 N ATOM 1880 CA SER A 131 -17.255 11.624 4.384 1.00 12.13 C ATOM 1881 C SER A 131 -15.817 11.099 4.421 1.00 15.05 C ATOM 1882 O SER A 131 -14.860 11.870 4.486 1.00 24.22 O ATOM 1883 CB SER A 131 -18.035 11.027 3.222 1.00 71.23 C ATOM 1884 OG SER A 131 -17.687 11.688 2.000 1.00 65.43 O ATOM 0 H SER A 131 -17.126 13.328 3.247 1.00 61.31 H new ATOM 0 HA SER A 131 -17.714 11.341 5.331 1.00 12.13 H new ATOM 0 HB2 SER A 131 -17.821 9.961 3.141 1.00 71.23 H new ATOM 0 HB3 SER A 131 -19.105 11.125 3.405 1.00 71.23 H new ATOM 0 HG SER A 131 -18.430 12.259 1.714 1.00 65.43 H new ATOM 1890 N CYS A 132 -15.672 9.820 4.419 1.00 41.30 N ATOM 1891 CA CYS A 132 -14.389 9.188 4.344 1.00 73.41 C ATOM 1892 C CYS A 132 -14.487 8.078 3.333 1.00 51.52 C ATOM 1893 O CYS A 132 -15.557 7.465 3.193 1.00 51.14 O ATOM 1894 CB CYS A 132 -13.966 8.671 5.716 1.00 72.21 C ATOM 1895 SG CYS A 132 -15.172 7.595 6.528 1.00 13.14 S ATOM 0 H CYS A 132 -16.453 9.166 4.470 1.00 41.30 H new ATOM 0 HA CYS A 132 -13.624 9.899 4.031 1.00 73.41 H new ATOM 0 HB2 CYS A 132 -13.028 8.126 5.610 1.00 72.21 H new ATOM 0 HB3 CYS A 132 -13.767 9.524 6.364 1.00 72.21 H new ATOM 0 HG CYS A 132 -16.209 8.295 6.882 1.00 13.14 H new ATOM 1901 N TRP A 133 -13.436 7.838 2.585 1.00 32.01 N ATOM 1902 CA TRP A 133 -13.515 6.828 1.563 1.00 52.01 C ATOM 1903 C TRP A 133 -12.123 6.311 1.277 1.00 61.13 C ATOM 1904 O TRP A 133 -11.139 7.000 1.569 1.00 25.21 O ATOM 1905 CB TRP A 133 -14.150 7.442 0.301 1.00 52.35 C ATOM 1906 CG TRP A 133 -14.979 6.487 -0.498 1.00 24.31 C ATOM 1907 CD1 TRP A 133 -16.069 5.816 -0.051 1.00 22.21 C ATOM 1908 CD2 TRP A 133 -14.837 6.142 -1.880 1.00 2.01 C ATOM 1909 NE1 TRP A 133 -16.597 5.049 -1.046 1.00 13.32 N ATOM 1910 CE2 TRP A 133 -15.868 5.233 -2.185 1.00 64.13 C ATOM 1911 CE3 TRP A 133 -13.941 6.500 -2.886 1.00 1.30 C ATOM 1912 CZ2 TRP A 133 -16.026 4.681 -3.449 1.00 71.42 C ATOM 1913 CZ3 TRP A 133 -14.103 5.952 -4.141 1.00 53.22 C ATOM 1914 CH2 TRP A 133 -15.138 5.052 -4.412 1.00 2.43 C ATOM 0 H TRP A 133 -12.538 8.316 2.662 1.00 32.01 H new ATOM 0 HA TRP A 133 -14.135 5.993 1.891 1.00 52.01 H new ATOM 0 HB2 TRP A 133 -14.773 8.287 0.596 1.00 52.35 H new ATOM 0 HB3 TRP A 133 -13.358 7.837 -0.335 1.00 52.35 H new ATOM 0 HD1 TRP A 133 -16.463 5.880 0.952 1.00 22.21 H new ATOM 0 HE1 TRP A 133 -17.407 4.436 -0.954 1.00 13.32 H new ATOM 0 HE3 TRP A 133 -13.136 7.192 -2.687 1.00 1.30 H new ATOM 0 HZ2 TRP A 133 -16.823 3.984 -3.660 1.00 71.42 H new ATOM 0 HZ3 TRP A 133 -13.417 6.223 -4.930 1.00 53.22 H new ATOM 0 HH2 TRP A 133 -15.235 4.642 -5.407 1.00 2.43 H new ATOM 1925 N LEU A 134 -12.023 5.098 0.780 1.00 43.14 N ATOM 1926 CA LEU A 134 -10.739 4.542 0.418 1.00 44.23 C ATOM 1927 C LEU A 134 -10.202 5.255 -0.801 1.00 64.43 C ATOM 1928 O LEU A 134 -10.893 5.393 -1.818 1.00 21.01 O ATOM 1929 CB LEU A 134 -10.786 3.021 0.176 1.00 25.24 C ATOM 1930 CG LEU A 134 -10.852 2.101 1.414 1.00 64.30 C ATOM 1931 CD1 LEU A 134 -12.142 2.268 2.204 1.00 3.31 C ATOM 1932 CD2 LEU A 134 -10.656 0.654 0.999 1.00 35.23 C ATOM 0 H LEU A 134 -12.816 4.478 0.617 1.00 43.14 H new ATOM 0 HA LEU A 134 -10.070 4.697 1.265 1.00 44.23 H new ATOM 0 HB2 LEU A 134 -11.654 2.807 -0.448 1.00 25.24 H new ATOM 0 HB3 LEU A 134 -9.903 2.745 -0.401 1.00 25.24 H new ATOM 0 HG LEU A 134 -10.042 2.398 2.081 1.00 64.30 H new ATOM 0 HD11 LEU A 134 -12.132 1.596 3.063 1.00 3.31 H new ATOM 0 HD12 LEU A 134 -12.226 3.298 2.550 1.00 3.31 H new ATOM 0 HD13 LEU A 134 -12.993 2.029 1.566 1.00 3.31 H new ATOM 0 HD21 LEU A 134 -10.704 0.013 1.879 1.00 35.23 H new ATOM 0 HD22 LEU A 134 -11.440 0.367 0.298 1.00 35.23 H new ATOM 0 HD23 LEU A 134 -9.683 0.541 0.521 1.00 35.23 H new ATOM 1944 N HIS A 135 -8.987 5.714 -0.701 1.00 54.32 N ATOM 1945 CA HIS A 135 -8.397 6.477 -1.759 1.00 23.12 C ATOM 1946 C HIS A 135 -7.749 5.528 -2.753 1.00 0.41 C ATOM 1947 O HIS A 135 -7.975 5.622 -3.978 1.00 34.43 O ATOM 1948 CB HIS A 135 -7.353 7.465 -1.189 1.00 12.31 C ATOM 1949 CG HIS A 135 -6.917 8.537 -2.153 1.00 62.43 C ATOM 1950 ND1 HIS A 135 -7.364 9.844 -2.103 1.00 40.12 N ATOM 1951 CD2 HIS A 135 -6.042 8.489 -3.178 1.00 65.22 C ATOM 1952 CE1 HIS A 135 -6.766 10.528 -3.074 1.00 11.32 C ATOM 1953 NE2 HIS A 135 -5.947 9.753 -3.759 1.00 1.53 N ATOM 0 H HIS A 135 -8.384 5.571 0.109 1.00 54.32 H new ATOM 0 HA HIS A 135 -9.168 7.057 -2.266 1.00 23.12 H new ATOM 0 HB2 HIS A 135 -7.768 7.940 -0.300 1.00 12.31 H new ATOM 0 HB3 HIS A 135 -6.476 6.903 -0.869 1.00 12.31 H new ATOM 0 HD1 HIS A 135 -8.037 10.220 -1.435 1.00 40.12 H new ATOM 0 HD2 HIS A 135 -5.501 7.611 -3.498 1.00 65.22 H new ATOM 0 HE1 HIS A 135 -6.929 11.577 -3.275 1.00 11.32 H new ATOM 1961 N SER A 136 -7.003 4.586 -2.216 1.00 43.25 N ATOM 1962 CA SER A 136 -6.257 3.626 -2.999 1.00 14.31 C ATOM 1963 C SER A 136 -5.634 2.645 -2.050 1.00 75.33 C ATOM 1964 O SER A 136 -5.411 2.986 -0.915 1.00 62.13 O ATOM 1965 CB SER A 136 -5.159 4.368 -3.791 1.00 13.10 C ATOM 1966 OG SER A 136 -4.427 5.245 -2.932 1.00 12.04 O ATOM 0 H SER A 136 -6.897 4.465 -1.209 1.00 43.25 H new ATOM 0 HA SER A 136 -6.906 3.104 -3.702 1.00 14.31 H new ATOM 0 HB2 SER A 136 -4.481 3.647 -4.247 1.00 13.10 H new ATOM 0 HB3 SER A 136 -5.611 4.938 -4.603 1.00 13.10 H new ATOM 0 HG SER A 136 -3.908 4.716 -2.290 1.00 12.04 H new ATOM 1972 N VAL A 137 -5.392 1.445 -2.465 1.00 60.32 N ATOM 1973 CA VAL A 137 -4.698 0.511 -1.604 1.00 13.34 C ATOM 1974 C VAL A 137 -3.621 -0.155 -2.434 1.00 34.52 C ATOM 1975 O VAL A 137 -3.766 -0.258 -3.643 1.00 72.04 O ATOM 1976 CB VAL A 137 -5.635 -0.561 -0.922 1.00 20.52 C ATOM 1977 CG1 VAL A 137 -6.868 0.062 -0.280 1.00 33.23 C ATOM 1978 CG2 VAL A 137 -6.023 -1.674 -1.851 1.00 63.54 C ATOM 0 H VAL A 137 -5.655 1.080 -3.380 1.00 60.32 H new ATOM 0 HA VAL A 137 -4.273 1.068 -0.769 1.00 13.34 H new ATOM 0 HB VAL A 137 -5.034 -1.000 -0.125 1.00 20.52 H new ATOM 0 HG11 VAL A 137 -7.477 -0.720 0.174 1.00 33.23 H new ATOM 0 HG12 VAL A 137 -6.559 0.772 0.487 1.00 33.23 H new ATOM 0 HG13 VAL A 137 -7.452 0.580 -1.041 1.00 33.23 H new ATOM 0 HG21 VAL A 137 -6.667 -2.379 -1.325 1.00 63.54 H new ATOM 0 HG22 VAL A 137 -6.558 -1.263 -2.707 1.00 63.54 H new ATOM 0 HG23 VAL A 137 -5.127 -2.189 -2.196 1.00 63.54 H new ATOM 1988 N LYS A 138 -2.555 -0.550 -1.825 1.00 22.23 N ATOM 1989 CA LYS A 138 -1.460 -1.140 -2.547 1.00 13.12 C ATOM 1990 C LYS A 138 -1.040 -2.439 -1.893 1.00 22.52 C ATOM 1991 O LYS A 138 -0.888 -2.500 -0.685 1.00 73.30 O ATOM 1992 CB LYS A 138 -0.271 -0.194 -2.524 1.00 24.11 C ATOM 1993 CG LYS A 138 0.893 -0.628 -3.401 1.00 31.34 C ATOM 1994 CD LYS A 138 2.222 -0.113 -2.851 1.00 54.42 C ATOM 1995 CE LYS A 138 2.249 1.395 -2.688 1.00 41.32 C ATOM 1996 NZ LYS A 138 3.448 1.827 -1.939 1.00 41.42 N ATOM 0 H LYS A 138 -2.410 -0.477 -0.818 1.00 22.23 H new ATOM 0 HA LYS A 138 -1.782 -1.328 -3.571 1.00 13.12 H new ATOM 0 HB2 LYS A 138 -0.602 0.794 -2.843 1.00 24.11 H new ATOM 0 HB3 LYS A 138 0.080 -0.096 -1.497 1.00 24.11 H new ATOM 0 HG2 LYS A 138 0.919 -1.716 -3.463 1.00 31.34 H new ATOM 0 HG3 LYS A 138 0.747 -0.255 -4.415 1.00 31.34 H new ATOM 0 HD2 LYS A 138 2.416 -0.581 -1.886 1.00 54.42 H new ATOM 0 HD3 LYS A 138 3.028 -0.416 -3.520 1.00 54.42 H new ATOM 0 HE2 LYS A 138 2.238 1.870 -3.669 1.00 41.32 H new ATOM 0 HE3 LYS A 138 1.351 1.724 -2.165 1.00 41.32 H new ATOM 0 HZ1 LYS A 138 3.310 2.798 -1.592 1.00 41.42 H new ATOM 0 HZ2 LYS A 138 3.602 1.189 -1.132 1.00 41.42 H new ATOM 0 HZ3 LYS A 138 4.278 1.798 -2.565 1.00 41.42 H new ATOM 2010 N PHE A 139 -0.862 -3.455 -2.681 1.00 42.34 N ATOM 2011 CA PHE A 139 -0.365 -4.707 -2.215 1.00 61.50 C ATOM 2012 C PHE A 139 0.933 -4.963 -2.906 1.00 45.13 C ATOM 2013 O PHE A 139 1.008 -4.879 -4.129 1.00 64.33 O ATOM 2014 CB PHE A 139 -1.337 -5.829 -2.543 1.00 3.41 C ATOM 2015 CG PHE A 139 -2.684 -5.611 -1.965 1.00 22.53 C ATOM 2016 CD1 PHE A 139 -2.858 -5.659 -0.609 1.00 52.40 C ATOM 2017 CD2 PHE A 139 -3.770 -5.348 -2.772 1.00 13.03 C ATOM 2018 CE1 PHE A 139 -4.088 -5.448 -0.043 1.00 14.25 C ATOM 2019 CE2 PHE A 139 -5.011 -5.137 -2.216 1.00 75.23 C ATOM 2020 CZ PHE A 139 -5.171 -5.187 -0.846 1.00 21.34 C ATOM 0 H PHE A 139 -1.062 -3.434 -3.681 1.00 42.34 H new ATOM 0 HA PHE A 139 -0.238 -4.673 -1.133 1.00 61.50 H new ATOM 0 HB2 PHE A 139 -1.423 -5.924 -3.625 1.00 3.41 H new ATOM 0 HB3 PHE A 139 -0.935 -6.771 -2.171 1.00 3.41 H new ATOM 0 HD1 PHE A 139 -2.010 -5.867 0.027 1.00 52.40 H new ATOM 0 HD2 PHE A 139 -3.647 -5.307 -3.844 1.00 13.03 H new ATOM 0 HE1 PHE A 139 -4.205 -5.487 1.030 1.00 14.25 H new ATOM 0 HE2 PHE A 139 -5.860 -4.932 -2.852 1.00 75.23 H new ATOM 0 HZ PHE A 139 -6.144 -5.022 -0.407 1.00 21.34 H new ATOM 2030 N ILE A 140 1.942 -5.237 -2.167 1.00 22.15 N ATOM 2031 CA ILE A 140 3.229 -5.516 -2.729 1.00 52.22 C ATOM 2032 C ILE A 140 3.737 -6.804 -2.161 1.00 12.44 C ATOM 2033 O ILE A 140 4.231 -6.880 -1.031 1.00 71.31 O ATOM 2034 CB ILE A 140 4.244 -4.339 -2.566 1.00 54.44 C ATOM 2035 CG1 ILE A 140 4.246 -3.797 -1.125 1.00 31.42 C ATOM 2036 CG2 ILE A 140 3.962 -3.233 -3.579 1.00 34.52 C ATOM 2037 CD1 ILE A 140 5.118 -2.582 -0.915 1.00 25.12 C ATOM 0 H ILE A 140 1.909 -5.277 -1.148 1.00 22.15 H new ATOM 0 HA ILE A 140 3.118 -5.624 -3.808 1.00 52.22 H new ATOM 0 HB ILE A 140 5.243 -4.727 -2.767 1.00 54.44 H new ATOM 0 HG12 ILE A 140 3.223 -3.548 -0.842 1.00 31.42 H new ATOM 0 HG13 ILE A 140 4.579 -4.588 -0.453 1.00 31.42 H new ATOM 0 HG21 ILE A 140 4.682 -2.425 -3.445 1.00 34.52 H new ATOM 0 HG22 ILE A 140 4.049 -3.634 -4.589 1.00 34.52 H new ATOM 0 HG23 ILE A 140 2.953 -2.849 -3.427 1.00 34.52 H new ATOM 0 HD11 ILE A 140 5.060 -2.268 0.127 1.00 25.12 H new ATOM 0 HD12 ILE A 140 6.151 -2.828 -1.163 1.00 25.12 H new ATOM 0 HD13 ILE A 140 4.774 -1.772 -1.558 1.00 25.12 H new ATOM 2049 N MET A 141 3.560 -7.823 -2.926 1.00 53.11 N ATOM 2050 CA MET A 141 3.886 -9.146 -2.505 1.00 0.40 C ATOM 2051 C MET A 141 5.308 -9.458 -2.861 1.00 70.45 C ATOM 2052 O MET A 141 5.737 -9.255 -4.011 1.00 73.41 O ATOM 2053 CB MET A 141 2.905 -10.170 -3.106 1.00 34.21 C ATOM 2054 CG MET A 141 2.898 -10.211 -4.632 1.00 51.31 C ATOM 2055 SD MET A 141 1.647 -11.306 -5.336 1.00 22.13 S ATOM 2056 CE MET A 141 0.138 -10.539 -4.740 1.00 23.53 C ATOM 0 H MET A 141 3.181 -7.765 -3.871 1.00 53.11 H new ATOM 0 HA MET A 141 3.788 -9.210 -1.421 1.00 0.40 H new ATOM 0 HB2 MET A 141 3.156 -11.161 -2.729 1.00 34.21 H new ATOM 0 HB3 MET A 141 1.899 -9.941 -2.756 1.00 34.21 H new ATOM 0 HG2 MET A 141 2.736 -9.202 -5.011 1.00 51.31 H new ATOM 0 HG3 MET A 141 3.881 -10.529 -4.980 1.00 51.31 H new ATOM 0 HE1 MET A 141 -0.679 -10.762 -5.426 1.00 23.53 H new ATOM 0 HE2 MET A 141 -0.102 -10.929 -3.751 1.00 23.53 H new ATOM 0 HE3 MET A 141 0.278 -9.460 -4.680 1.00 23.53 H new ATOM 2066 N SER A 142 6.036 -9.885 -1.859 1.00 65.50 N ATOM 2067 CA SER A 142 7.423 -10.272 -1.978 1.00 53.34 C ATOM 2068 C SER A 142 8.312 -9.041 -2.142 1.00 53.11 C ATOM 2069 O SER A 142 8.769 -8.701 -3.237 1.00 11.41 O ATOM 2070 CB SER A 142 7.641 -11.330 -3.098 1.00 11.25 C ATOM 2071 OG SER A 142 8.985 -11.794 -3.162 1.00 31.14 O ATOM 0 H SER A 142 5.671 -9.976 -0.911 1.00 65.50 H new ATOM 0 HA SER A 142 7.719 -10.762 -1.051 1.00 53.34 H new ATOM 0 HB2 SER A 142 6.977 -12.177 -2.926 1.00 11.25 H new ATOM 0 HB3 SER A 142 7.364 -10.897 -4.059 1.00 11.25 H new ATOM 0 HG SER A 142 9.152 -12.193 -4.042 1.00 31.14 H new ATOM 2077 N LYS A 143 8.473 -8.355 -1.057 1.00 31.31 N ATOM 2078 CA LYS A 143 9.303 -7.195 -0.949 1.00 2.40 C ATOM 2079 C LYS A 143 10.445 -7.540 -0.024 1.00 42.14 C ATOM 2080 O LYS A 143 10.234 -8.171 1.014 1.00 61.20 O ATOM 2081 CB LYS A 143 8.488 -6.053 -0.350 1.00 23.12 C ATOM 2082 CG LYS A 143 9.247 -4.760 -0.104 1.00 24.31 C ATOM 2083 CD LYS A 143 8.364 -3.758 0.617 1.00 42.42 C ATOM 2084 CE LYS A 143 9.116 -2.488 0.958 1.00 15.13 C ATOM 2085 NZ LYS A 143 8.281 -1.541 1.735 1.00 61.42 N ATOM 0 H LYS A 143 8.009 -8.598 -0.181 1.00 31.31 H new ATOM 0 HA LYS A 143 9.679 -6.890 -1.925 1.00 2.40 H new ATOM 0 HB2 LYS A 143 7.651 -5.841 -1.015 1.00 23.12 H new ATOM 0 HB3 LYS A 143 8.065 -6.390 0.596 1.00 23.12 H new ATOM 0 HG2 LYS A 143 10.139 -4.962 0.489 1.00 24.31 H new ATOM 0 HG3 LYS A 143 9.583 -4.342 -1.053 1.00 24.31 H new ATOM 0 HD2 LYS A 143 7.505 -3.515 -0.008 1.00 42.42 H new ATOM 0 HD3 LYS A 143 7.976 -4.207 1.531 1.00 42.42 H new ATOM 0 HE2 LYS A 143 10.009 -2.738 1.531 1.00 15.13 H new ATOM 0 HE3 LYS A 143 9.451 -2.007 0.039 1.00 15.13 H new ATOM 0 HZ1 LYS A 143 8.896 -0.896 2.271 1.00 61.42 H new ATOM 0 HZ2 LYS A 143 7.684 -0.991 1.085 1.00 61.42 H new ATOM 0 HZ3 LYS A 143 7.677 -2.072 2.395 1.00 61.42 H new ATOM 2099 N ALA A 144 11.615 -7.159 -0.392 1.00 60.33 N ATOM 2100 CA ALA A 144 12.786 -7.430 0.396 1.00 60.34 C ATOM 2101 C ALA A 144 13.635 -6.189 0.488 1.00 65.32 C ATOM 2102 O ALA A 144 13.700 -5.404 -0.471 1.00 22.23 O ATOM 2103 CB ALA A 144 13.584 -8.571 -0.220 1.00 30.22 C ATOM 0 H ALA A 144 11.799 -6.645 -1.254 1.00 60.33 H new ATOM 0 HA ALA A 144 12.479 -7.726 1.399 1.00 60.34 H new ATOM 0 HB1 ALA A 144 14.468 -8.766 0.387 1.00 30.22 H new ATOM 0 HB2 ALA A 144 12.966 -9.468 -0.259 1.00 30.22 H new ATOM 0 HB3 ALA A 144 13.890 -8.297 -1.230 1.00 30.22 H new ATOM 2109 N ALA A 145 14.238 -5.978 1.625 1.00 21.32 N ATOM 2110 CA ALA A 145 15.115 -4.858 1.808 1.00 21.55 C ATOM 2111 C ALA A 145 16.552 -5.333 1.718 1.00 61.32 C ATOM 2112 O ALA A 145 16.906 -6.341 2.334 1.00 25.23 O ATOM 2113 CB ALA A 145 14.868 -4.191 3.150 1.00 4.54 C ATOM 0 H ALA A 145 14.136 -6.575 2.446 1.00 21.32 H new ATOM 0 HA ALA A 145 14.920 -4.123 1.027 1.00 21.55 H new ATOM 0 HB1 ALA A 145 15.545 -3.345 3.266 1.00 4.54 H new ATOM 0 HB2 ALA A 145 13.837 -3.840 3.198 1.00 4.54 H new ATOM 0 HB3 ALA A 145 15.045 -4.909 3.951 1.00 4.54 H new ATOM 2119 N PRO A 146 17.383 -4.658 0.912 1.00 24.44 N ATOM 2120 CA PRO A 146 18.803 -4.978 0.798 1.00 33.02 C ATOM 2121 C PRO A 146 19.507 -4.840 2.145 1.00 72.23 C ATOM 2122 O PRO A 146 19.311 -3.843 2.867 1.00 13.12 O ATOM 2123 CB PRO A 146 19.344 -3.922 -0.173 1.00 63.13 C ATOM 2124 CG PRO A 146 18.156 -3.416 -0.907 1.00 71.13 C ATOM 2125 CD PRO A 146 16.994 -3.546 0.029 1.00 73.55 C ATOM 0 HA PRO A 146 18.965 -6.002 0.462 1.00 33.02 H new ATOM 0 HB2 PRO A 146 19.847 -3.117 0.362 1.00 63.13 H new ATOM 0 HB3 PRO A 146 20.074 -4.355 -0.857 1.00 63.13 H new ATOM 0 HG2 PRO A 146 18.298 -2.378 -1.208 1.00 71.13 H new ATOM 0 HG3 PRO A 146 17.988 -3.991 -1.817 1.00 71.13 H new ATOM 0 HD2 PRO A 146 16.827 -2.627 0.591 1.00 73.55 H new ATOM 0 HD3 PRO A 146 16.070 -3.764 -0.507 1.00 73.55 H new ATOM 2133 N TYR A 147 20.278 -5.827 2.494 1.00 42.30 N ATOM 2134 CA TYR A 147 21.015 -5.830 3.715 1.00 63.13 C ATOM 2135 C TYR A 147 22.401 -5.283 3.432 1.00 62.23 C ATOM 2136 O TYR A 147 22.786 -5.148 2.265 1.00 41.32 O ATOM 2137 CB TYR A 147 21.134 -7.271 4.219 1.00 72.14 C ATOM 2138 CG TYR A 147 22.026 -8.166 3.358 1.00 34.33 C ATOM 2139 CD1 TYR A 147 23.357 -8.371 3.697 1.00 71.34 C ATOM 2140 CD2 TYR A 147 21.541 -8.794 2.218 1.00 73.21 C ATOM 2141 CE1 TYR A 147 24.175 -9.170 2.935 1.00 34.32 C ATOM 2142 CE2 TYR A 147 22.356 -9.596 1.444 1.00 24.25 C ATOM 2143 CZ TYR A 147 23.671 -9.784 1.807 1.00 12.35 C ATOM 2144 OH TYR A 147 24.483 -10.592 1.035 1.00 43.23 O ATOM 0 H TYR A 147 20.412 -6.664 1.927 1.00 42.30 H new ATOM 0 HA TYR A 147 20.514 -5.220 4.467 1.00 63.13 H new ATOM 0 HB2 TYR A 147 21.526 -7.257 5.236 1.00 72.14 H new ATOM 0 HB3 TYR A 147 20.138 -7.710 4.268 1.00 72.14 H new ATOM 0 HD1 TYR A 147 23.758 -7.892 4.578 1.00 71.34 H new ATOM 0 HD2 TYR A 147 20.509 -8.653 1.932 1.00 73.21 H new ATOM 0 HE1 TYR A 147 25.207 -9.317 3.218 1.00 34.32 H new ATOM 0 HE2 TYR A 147 21.964 -10.074 0.558 1.00 24.25 H new ATOM 0 HH TYR A 147 23.969 -10.946 0.279 1.00 43.23 H new ATOM 2154 N VAL A 148 23.152 -4.980 4.457 1.00 33.41 N ATOM 2155 CA VAL A 148 24.519 -4.558 4.274 1.00 55.33 C ATOM 2156 C VAL A 148 25.382 -5.280 5.280 1.00 41.51 C ATOM 2157 O VAL A 148 25.422 -4.917 6.459 1.00 5.51 O ATOM 2158 CB VAL A 148 24.725 -3.035 4.432 1.00 73.12 C ATOM 2159 CG1 VAL A 148 26.164 -2.657 4.093 1.00 11.42 C ATOM 2160 CG2 VAL A 148 23.745 -2.243 3.580 1.00 62.12 C ATOM 0 H VAL A 148 22.842 -5.017 5.428 1.00 33.41 H new ATOM 0 HA VAL A 148 24.797 -4.804 3.249 1.00 55.33 H new ATOM 0 HB VAL A 148 24.530 -2.779 5.473 1.00 73.12 H new ATOM 0 HG11 VAL A 148 26.294 -1.581 4.209 1.00 11.42 H new ATOM 0 HG12 VAL A 148 26.845 -3.179 4.765 1.00 11.42 H new ATOM 0 HG13 VAL A 148 26.382 -2.940 3.063 1.00 11.42 H new ATOM 0 HG21 VAL A 148 23.922 -1.176 3.719 1.00 62.12 H new ATOM 0 HG22 VAL A 148 23.885 -2.501 2.530 1.00 62.12 H new ATOM 0 HG23 VAL A 148 22.725 -2.484 3.880 1.00 62.12 H new ATOM 2170 N ALA A 149 26.009 -6.316 4.828 1.00 14.35 N ATOM 2171 CA ALA A 149 26.858 -7.140 5.637 1.00 52.40 C ATOM 2172 C ALA A 149 27.877 -7.802 4.749 1.00 21.43 C ATOM 2173 O ALA A 149 27.509 -8.716 3.994 1.00 21.34 O ATOM 2174 CB ALA A 149 26.043 -8.178 6.374 1.00 52.20 C ATOM 0 H ALA A 149 25.945 -6.625 3.858 1.00 14.35 H new ATOM 0 HA ALA A 149 27.365 -6.525 6.381 1.00 52.40 H new ATOM 0 HB1 ALA A 149 26.704 -8.794 6.983 1.00 52.20 H new ATOM 0 HB2 ALA A 149 25.316 -7.681 7.017 1.00 52.20 H new ATOM 0 HB3 ALA A 149 25.520 -8.808 5.655 1.00 52.20 H new TER 2180 ALA A 149