USER MOD reduce.3.24.130724 H: found=0, std=0, add=949, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 943 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 31 HIS : no HD1:sc= -1.28 K(o=-1.3,f=-0.29) USER MOD Set 1.2: A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -120:sc= 0.0723 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 26:sc= 0.875 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0.0318 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 CYS SG : rot 16:sc= -0.247 USER MOD Single : A 13 MET CE :methyl 145:sc= -2.91 (180deg=-6.39!) USER MOD Single : A 15 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0054) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -3.36! K(o=-3.4!,f=-0.35) USER MOD Single : A 35 LYS NZ :NH3+ 138:sc= -0.9 (180deg=-3.89!) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 95:sc= -0.0404 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 56 HIS : no HE2:sc= -2 X(o=-2,f=-2.4) USER MOD Single : A 59 THR OG1 : rot 175:sc= 2.03 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 17:sc= 1.19 USER MOD Single : A 70 LYS NZ :NH3+ 162:sc=0.000373 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 91:sc= 1.39 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 150:sc= -0.317 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 88 HIS : no HD1:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 90 HIS : no HD1:sc= -0.314 K(o=-0.31,f=-1.1) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 ASN : amide:sc= -0.258 K(o=-0.26,f=-2.2) USER MOD Single : A 100 SER OG : rot 180:sc= -0.0967 USER MOD Single : A 105 TYR OH : rot 158:sc= -0.742 USER MOD Single : A 106 THR OG1 : rot -123:sc= 0.605 USER MOD Single : A 110 MET CE :methyl -162:sc= -0.0477 (180deg=-0.625) USER MOD Single : A 112 SER OG : rot 171:sc= -0.693 USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 116 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 MET CE :methyl -109:sc= -2.44 (180deg=-6.08!) USER MOD Single : A 123 THR OG1 : rot 31:sc= 0.13 USER MOD Single : A 124 ASN : amide:sc= -1.41! K(o=-1.4!,f=-0.66) USER MOD Single : A 126 LYS NZ :NH3+ 164:sc=-0.00515 (180deg=-0.185) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.007 -23.854 23.614 1.00 74.13 N ATOM 2 CA GLY A 1 3.670 -23.736 23.064 1.00 34.14 C ATOM 3 C GLY A 1 3.447 -24.651 21.877 1.00 1.51 C ATOM 4 O GLY A 1 4.359 -25.339 21.417 1.00 72.31 O ATOM 0 H1 GLY A 1 4.948 -24.158 24.607 1.00 74.13 H new ATOM 0 H2 GLY A 1 5.546 -24.556 23.068 1.00 74.13 H new ATOM 0 H3 GLY A 1 5.486 -22.933 23.562 1.00 74.13 H new ATOM 0 HA2 GLY A 1 2.940 -23.968 23.839 1.00 34.14 H new ATOM 0 HA3 GLY A 1 3.495 -22.704 22.761 1.00 34.14 H new ATOM 8 N PRO A 2 2.210 -24.669 21.362 1.00 21.03 N ATOM 9 CA PRO A 2 1.841 -25.504 20.214 1.00 2.31 C ATOM 10 C PRO A 2 2.479 -25.020 18.916 1.00 61.30 C ATOM 11 O PRO A 2 3.026 -25.812 18.148 1.00 14.21 O ATOM 12 CB PRO A 2 0.318 -25.362 20.146 1.00 23.42 C ATOM 13 CG PRO A 2 0.031 -24.048 20.790 1.00 33.11 C ATOM 14 CD PRO A 2 1.073 -23.875 21.859 1.00 34.03 C ATOM 0 HA PRO A 2 2.182 -26.532 20.332 1.00 2.31 H new ATOM 0 HB2 PRO A 2 -0.036 -25.384 19.115 1.00 23.42 H new ATOM 0 HB3 PRO A 2 -0.180 -26.177 20.671 1.00 23.42 H new ATOM 0 HG2 PRO A 2 0.080 -23.238 20.062 1.00 33.11 H new ATOM 0 HG3 PRO A 2 -0.972 -24.033 21.217 1.00 33.11 H new ATOM 0 HD2 PRO A 2 1.342 -22.827 21.991 1.00 34.03 H new ATOM 0 HD3 PRO A 2 0.721 -24.238 22.825 1.00 34.03 H new ATOM 22 N THR A 3 2.406 -23.715 18.678 1.00 23.42 N ATOM 23 CA THR A 3 2.976 -23.125 17.472 1.00 41.32 C ATOM 24 C THR A 3 4.040 -22.090 17.817 1.00 20.13 C ATOM 25 O THR A 3 3.731 -21.013 18.324 1.00 54.11 O ATOM 26 CB THR A 3 1.890 -22.460 16.605 1.00 33.42 C ATOM 27 OG1 THR A 3 1.268 -21.395 17.331 1.00 11.12 O ATOM 28 CG2 THR A 3 0.839 -23.475 16.181 1.00 11.31 C ATOM 0 H THR A 3 1.958 -23.046 19.304 1.00 23.42 H new ATOM 0 HA THR A 3 3.433 -23.938 16.908 1.00 41.32 H new ATOM 0 HB THR A 3 2.366 -22.059 15.710 1.00 33.42 H new ATOM 0 HG1 THR A 3 1.890 -21.052 18.006 1.00 11.12 H new ATOM 0 HG21 THR A 3 0.083 -22.982 15.570 1.00 11.31 H new ATOM 0 HG22 THR A 3 1.312 -24.269 15.603 1.00 11.31 H new ATOM 0 HG23 THR A 3 0.368 -23.902 17.066 1.00 11.31 H new ATOM 36 N GLY A 4 5.296 -22.424 17.537 1.00 1.33 N ATOM 37 CA GLY A 4 6.387 -21.510 17.824 1.00 1.34 C ATOM 38 C GLY A 4 6.777 -20.675 16.621 1.00 45.41 C ATOM 39 O GLY A 4 6.357 -20.957 15.497 1.00 60.11 O ATOM 0 H GLY A 4 5.578 -23.310 17.117 1.00 1.33 H new ATOM 0 HA2 GLY A 4 6.098 -20.850 18.642 1.00 1.34 H new ATOM 0 HA3 GLY A 4 7.253 -22.078 18.164 1.00 1.34 H new ATOM 43 N THR A 5 7.579 -19.641 16.854 1.00 12.54 N ATOM 44 CA THR A 5 8.021 -18.759 15.781 1.00 74.23 C ATOM 45 C THR A 5 9.503 -18.427 15.919 1.00 64.14 C ATOM 46 O THR A 5 9.891 -17.613 16.755 1.00 14.45 O ATOM 47 CB THR A 5 7.213 -17.449 15.760 1.00 71.41 C ATOM 48 OG1 THR A 5 7.823 -16.512 14.866 1.00 32.23 O ATOM 49 CG2 THR A 5 7.125 -16.845 17.154 1.00 53.45 C ATOM 0 H THR A 5 7.936 -19.394 17.777 1.00 12.54 H new ATOM 0 HA THR A 5 7.856 -19.293 14.845 1.00 74.23 H new ATOM 0 HB THR A 5 6.204 -17.675 15.415 1.00 71.41 H new ATOM 0 HG1 THR A 5 7.302 -15.682 14.857 1.00 32.23 H new ATOM 0 HG21 THR A 5 6.550 -15.920 17.114 1.00 53.45 H new ATOM 0 HG22 THR A 5 6.634 -17.549 17.825 1.00 53.45 H new ATOM 0 HG23 THR A 5 8.129 -16.632 17.522 1.00 53.45 H new ATOM 57 N GLY A 6 10.327 -19.062 15.091 1.00 24.13 N ATOM 58 CA GLY A 6 11.757 -18.820 15.136 1.00 71.40 C ATOM 59 C GLY A 6 12.299 -18.295 13.822 1.00 43.52 C ATOM 60 O GLY A 6 13.072 -18.973 13.147 1.00 52.21 O ATOM 0 H GLY A 6 10.029 -19.740 14.390 1.00 24.13 H new ATOM 0 HA2 GLY A 6 11.976 -18.104 15.928 1.00 71.40 H new ATOM 0 HA3 GLY A 6 12.271 -19.746 15.393 1.00 71.40 H new ATOM 64 N GLU A 7 11.889 -17.084 13.455 1.00 62.41 N ATOM 65 CA GLU A 7 12.337 -16.471 12.211 1.00 61.05 C ATOM 66 C GLU A 7 13.597 -15.641 12.435 1.00 62.33 C ATOM 67 O GLU A 7 13.742 -14.978 13.463 1.00 20.21 O ATOM 68 CB GLU A 7 11.232 -15.591 11.623 1.00 41.31 C ATOM 69 CG GLU A 7 11.037 -14.280 12.366 1.00 34.13 C ATOM 70 CD GLU A 7 9.704 -13.626 12.057 1.00 31.31 C ATOM 71 OE1 GLU A 7 8.704 -14.360 11.913 1.00 50.32 O ATOM 72 OE2 GLU A 7 9.662 -12.382 11.959 1.00 35.02 O1- ATOM 0 H GLU A 7 11.248 -16.509 14.002 1.00 62.41 H new ATOM 0 HA GLU A 7 12.570 -17.270 11.507 1.00 61.05 H new ATOM 0 HB2 GLU A 7 11.466 -15.376 10.580 1.00 41.31 H new ATOM 0 HB3 GLU A 7 10.294 -16.146 11.631 1.00 41.31 H new ATOM 0 HG2 GLU A 7 11.109 -14.461 13.439 1.00 34.13 H new ATOM 0 HG3 GLU A 7 11.843 -13.595 12.104 1.00 34.13 H new ATOM 79 N SER A 8 14.507 -15.682 11.467 1.00 11.13 N ATOM 80 CA SER A 8 15.758 -14.937 11.561 1.00 73.41 C ATOM 81 C SER A 8 15.597 -13.533 10.988 1.00 2.22 C ATOM 82 O SER A 8 14.519 -13.156 10.528 1.00 44.50 O ATOM 83 CB SER A 8 16.873 -15.678 10.821 1.00 62.10 C ATOM 84 OG SER A 8 18.147 -15.179 11.187 1.00 14.33 O ATOM 0 H SER A 8 14.402 -16.223 10.609 1.00 11.13 H new ATOM 0 HA SER A 8 16.025 -14.852 12.614 1.00 73.41 H new ATOM 0 HB2 SER A 8 16.818 -16.743 11.046 1.00 62.10 H new ATOM 0 HB3 SER A 8 16.733 -15.572 9.745 1.00 62.10 H new ATOM 0 HG SER A 8 18.842 -15.670 10.702 1.00 14.33 H new ATOM 90 N LYS A 9 16.679 -12.761 11.019 1.00 44.32 N ATOM 91 CA LYS A 9 16.661 -11.398 10.503 1.00 23.33 C ATOM 92 C LYS A 9 17.694 -11.223 9.394 1.00 33.34 C ATOM 93 O LYS A 9 18.785 -10.701 9.625 1.00 14.24 O ATOM 94 CB LYS A 9 16.935 -10.400 11.631 1.00 44.14 C ATOM 95 CG LYS A 9 15.911 -10.452 12.751 1.00 44.04 C ATOM 96 CD LYS A 9 16.523 -10.055 14.084 1.00 2.52 C ATOM 97 CE LYS A 9 17.241 -11.225 14.738 1.00 53.35 C ATOM 98 NZ LYS A 9 17.600 -10.934 16.154 1.00 32.34 N1+ ATOM 0 H LYS A 9 17.579 -13.057 11.396 1.00 44.32 H new ATOM 0 HA LYS A 9 15.671 -11.206 10.088 1.00 23.33 H new ATOM 0 HB2 LYS A 9 17.924 -10.595 12.045 1.00 44.14 H new ATOM 0 HB3 LYS A 9 16.956 -9.392 11.216 1.00 44.14 H new ATOM 0 HG2 LYS A 9 15.081 -9.785 12.518 1.00 44.04 H new ATOM 0 HG3 LYS A 9 15.500 -11.459 12.824 1.00 44.04 H new ATOM 0 HD2 LYS A 9 17.224 -9.234 13.933 1.00 2.52 H new ATOM 0 HD3 LYS A 9 15.742 -9.688 14.750 1.00 2.52 H new ATOM 0 HE2 LYS A 9 16.605 -12.109 14.699 1.00 53.35 H new ATOM 0 HE3 LYS A 9 18.145 -11.457 14.175 1.00 53.35 H new ATOM 0 HZ1 LYS A 9 18.088 -11.756 16.564 1.00 32.34 H new ATOM 0 HZ2 LYS A 9 18.228 -10.106 16.190 1.00 32.34 H new ATOM 0 HZ3 LYS A 9 16.736 -10.737 16.698 1.00 32.34 H new ATOM 112 N CYS A 10 17.341 -11.661 8.190 1.00 72.52 N ATOM 113 CA CYS A 10 18.237 -11.552 7.045 1.00 50.34 C ATOM 114 C CYS A 10 18.018 -10.236 6.306 1.00 44.02 C ATOM 115 O CYS A 10 16.986 -9.580 6.447 1.00 44.02 O ATOM 116 CB CYS A 10 18.024 -12.727 6.090 1.00 33.40 C ATOM 117 SG CYS A 10 19.286 -14.015 6.210 1.00 22.45 S ATOM 0 H CYS A 10 16.441 -12.094 7.982 1.00 72.52 H new ATOM 0 HA CYS A 10 19.262 -11.574 7.415 1.00 50.34 H new ATOM 0 HB2 CYS A 10 17.048 -13.170 6.289 1.00 33.40 H new ATOM 0 HB3 CYS A 10 18.001 -12.350 5.067 1.00 33.40 H new ATOM 0 HG CYS A 10 19.955 -13.866 7.315 1.00 22.45 H new ATOM 123 N PRO A 11 19.013 -9.837 5.499 1.00 41.21 N ATOM 124 CA PRO A 11 18.954 -8.593 4.724 1.00 32.44 C ATOM 125 C PRO A 11 17.934 -8.665 3.593 1.00 33.11 C ATOM 126 O PRO A 11 17.169 -7.725 3.373 1.00 40.40 O ATOM 127 CB PRO A 11 20.371 -8.460 4.160 1.00 52.53 C ATOM 128 CG PRO A 11 20.893 -9.854 4.113 1.00 50.33 C ATOM 129 CD PRO A 11 20.273 -10.568 5.283 1.00 12.12 C ATOM 0 HA PRO A 11 18.643 -7.745 5.334 1.00 32.44 H new ATOM 0 HB2 PRO A 11 20.361 -8.007 3.168 1.00 52.53 H new ATOM 0 HB3 PRO A 11 20.991 -7.826 4.794 1.00 52.53 H new ATOM 0 HG2 PRO A 11 20.626 -10.339 3.174 1.00 50.33 H new ATOM 0 HG3 PRO A 11 21.981 -9.866 4.180 1.00 50.33 H new ATOM 0 HD2 PRO A 11 20.094 -11.621 5.063 1.00 12.12 H new ATOM 0 HD3 PRO A 11 20.915 -10.531 6.163 1.00 12.12 H new ATOM 137 N LEU A 12 17.927 -9.785 2.878 1.00 24.44 N ATOM 138 CA LEU A 12 17.000 -9.980 1.770 1.00 13.33 C ATOM 139 C LEU A 12 16.010 -11.099 2.076 1.00 62.23 C ATOM 140 O LEU A 12 16.357 -12.088 2.721 1.00 61.54 O ATOM 141 CB LEU A 12 17.768 -10.301 0.487 1.00 1.41 C ATOM 142 CG LEU A 12 16.925 -10.466 -0.778 1.00 23.13 C ATOM 143 CD1 LEU A 12 16.615 -9.110 -1.393 1.00 43.24 C ATOM 144 CD2 LEU A 12 17.638 -11.358 -1.783 1.00 3.34 C ATOM 0 H LEU A 12 18.554 -10.572 3.047 1.00 24.44 H new ATOM 0 HA LEU A 12 16.441 -9.055 1.631 1.00 13.33 H new ATOM 0 HB2 LEU A 12 18.494 -9.507 0.314 1.00 1.41 H new ATOM 0 HB3 LEU A 12 18.332 -11.220 0.646 1.00 1.41 H new ATOM 0 HG LEU A 12 15.984 -10.942 -0.504 1.00 23.13 H new ATOM 0 HD11 LEU A 12 16.014 -9.247 -2.292 1.00 43.24 H new ATOM 0 HD12 LEU A 12 16.062 -8.503 -0.676 1.00 43.24 H new ATOM 0 HD13 LEU A 12 17.546 -8.606 -1.652 1.00 43.24 H new ATOM 0 HD21 LEU A 12 17.023 -11.464 -2.676 1.00 3.34 H new ATOM 0 HD22 LEU A 12 18.595 -10.911 -2.052 1.00 3.34 H new ATOM 0 HD23 LEU A 12 17.808 -12.340 -1.341 1.00 3.34 H new ATOM 156 N MET A 13 14.777 -10.936 1.609 1.00 42.14 N ATOM 157 CA MET A 13 13.737 -11.935 1.831 1.00 33.41 C ATOM 158 C MET A 13 13.279 -12.546 0.512 1.00 40.04 C ATOM 159 O MET A 13 13.283 -11.882 -0.526 1.00 53.03 O ATOM 160 CB MET A 13 12.545 -11.309 2.558 1.00 72.22 C ATOM 161 CG MET A 13 11.626 -12.328 3.211 1.00 31.44 C ATOM 162 SD MET A 13 9.945 -11.713 3.424 1.00 1.33 S ATOM 163 CE MET A 13 9.037 -12.838 2.367 1.00 15.23 C ATOM 0 H MET A 13 14.473 -10.122 1.075 1.00 42.14 H new ATOM 0 HA MET A 13 14.156 -12.727 2.451 1.00 33.41 H new ATOM 0 HB2 MET A 13 12.915 -10.624 3.321 1.00 72.22 H new ATOM 0 HB3 MET A 13 11.969 -10.715 1.849 1.00 72.22 H new ATOM 0 HG2 MET A 13 11.603 -13.233 2.603 1.00 31.44 H new ATOM 0 HG3 MET A 13 12.032 -12.607 4.183 1.00 31.44 H new ATOM 0 HE1 MET A 13 8.059 -13.039 2.804 1.00 15.23 H new ATOM 0 HE2 MET A 13 8.909 -12.389 1.382 1.00 15.23 H new ATOM 0 HE3 MET A 13 9.590 -13.772 2.270 1.00 15.23 H new ATOM 173 N VAL A 14 12.886 -13.815 0.556 1.00 0.34 N ATOM 174 CA VAL A 14 12.424 -14.515 -0.636 1.00 54.11 C ATOM 175 C VAL A 14 10.982 -14.982 -0.476 1.00 75.31 C ATOM 176 O VAL A 14 10.662 -15.744 0.436 1.00 44.51 O ATOM 177 CB VAL A 14 13.314 -15.731 -0.952 1.00 71.42 C ATOM 178 CG1 VAL A 14 12.931 -16.340 -2.293 1.00 65.25 C ATOM 179 CG2 VAL A 14 14.783 -15.336 -0.937 1.00 54.20 C ATOM 0 H VAL A 14 12.878 -14.380 1.405 1.00 0.34 H new ATOM 0 HA VAL A 14 12.483 -13.806 -1.462 1.00 54.11 H new ATOM 0 HB VAL A 14 13.156 -16.484 -0.180 1.00 71.42 H new ATOM 0 HG11 VAL A 14 13.571 -17.198 -2.499 1.00 65.25 H new ATOM 0 HG12 VAL A 14 11.890 -16.663 -2.262 1.00 65.25 H new ATOM 0 HG13 VAL A 14 13.057 -15.596 -3.080 1.00 65.25 H new ATOM 0 HG21 VAL A 14 15.397 -16.208 -1.162 1.00 54.20 H new ATOM 0 HG22 VAL A 14 14.960 -14.564 -1.686 1.00 54.20 H new ATOM 0 HG23 VAL A 14 15.046 -14.952 0.048 1.00 54.20 H new ATOM 189 N LYS A 15 10.113 -14.517 -1.369 1.00 45.14 N ATOM 190 CA LYS A 15 8.703 -14.888 -1.329 1.00 34.42 C ATOM 191 C LYS A 15 8.298 -15.623 -2.602 1.00 3.44 C ATOM 192 O LYS A 15 8.323 -15.055 -3.694 1.00 33.44 O ATOM 193 CB LYS A 15 7.832 -13.643 -1.146 1.00 23.14 C ATOM 194 CG LYS A 15 6.377 -13.957 -0.851 1.00 20.51 C ATOM 195 CD LYS A 15 6.065 -13.812 0.629 1.00 21.44 C ATOM 196 CE LYS A 15 5.910 -12.352 1.026 1.00 61.00 C ATOM 197 NZ LYS A 15 4.585 -11.805 0.624 1.00 31.20 N1+ ATOM 0 H LYS A 15 10.361 -13.883 -2.129 1.00 45.14 H new ATOM 0 HA LYS A 15 8.552 -15.557 -0.481 1.00 34.42 H new ATOM 0 HB2 LYS A 15 8.238 -13.043 -0.332 1.00 23.14 H new ATOM 0 HB3 LYS A 15 7.888 -13.035 -2.049 1.00 23.14 H new ATOM 0 HG2 LYS A 15 5.736 -13.289 -1.426 1.00 20.51 H new ATOM 0 HG3 LYS A 15 6.150 -14.973 -1.174 1.00 20.51 H new ATOM 0 HD2 LYS A 15 5.148 -14.353 0.863 1.00 21.44 H new ATOM 0 HD3 LYS A 15 6.863 -14.267 1.216 1.00 21.44 H new ATOM 0 HE2 LYS A 15 6.031 -12.254 2.105 1.00 61.00 H new ATOM 0 HE3 LYS A 15 6.702 -11.764 0.562 1.00 61.00 H new ATOM 0 HZ1 LYS A 15 4.499 -10.824 0.957 1.00 31.20 H new ATOM 0 HZ2 LYS A 15 4.500 -11.828 -0.412 1.00 31.20 H new ATOM 0 HZ3 LYS A 15 3.829 -12.381 1.046 1.00 31.20 H new ATOM 211 N VAL A 16 7.923 -16.890 -2.454 1.00 43.13 N ATOM 212 CA VAL A 16 7.509 -17.702 -3.593 1.00 14.13 C ATOM 213 C VAL A 16 5.996 -17.883 -3.617 1.00 22.53 C ATOM 214 O VAL A 16 5.444 -18.686 -2.864 1.00 43.30 O ATOM 215 CB VAL A 16 8.181 -19.089 -3.567 1.00 62.10 C ATOM 216 CG1 VAL A 16 7.814 -19.883 -4.811 1.00 24.42 C ATOM 217 CG2 VAL A 16 9.690 -18.946 -3.442 1.00 0.34 C ATOM 0 H VAL A 16 7.897 -17.376 -1.558 1.00 43.13 H new ATOM 0 HA VAL A 16 7.823 -17.171 -4.492 1.00 14.13 H new ATOM 0 HB VAL A 16 7.817 -19.635 -2.696 1.00 62.10 H new ATOM 0 HG11 VAL A 16 8.297 -20.859 -4.775 1.00 24.42 H new ATOM 0 HG12 VAL A 16 6.733 -20.015 -4.853 1.00 24.42 H new ATOM 0 HG13 VAL A 16 8.148 -19.345 -5.698 1.00 24.42 H new ATOM 0 HG21 VAL A 16 10.149 -19.935 -3.425 1.00 0.34 H new ATOM 0 HG22 VAL A 16 10.074 -18.382 -4.292 1.00 0.34 H new ATOM 0 HG23 VAL A 16 9.930 -18.419 -2.519 1.00 0.34 H new ATOM 227 N LEU A 17 5.330 -17.133 -4.489 1.00 52.23 N ATOM 228 CA LEU A 17 3.879 -17.211 -4.613 1.00 52.32 C ATOM 229 C LEU A 17 3.477 -17.747 -5.983 1.00 63.31 C ATOM 230 O LEU A 17 4.246 -17.668 -6.941 1.00 71.44 O ATOM 231 CB LEU A 17 3.254 -15.833 -4.387 1.00 44.04 C ATOM 232 CG LEU A 17 2.577 -15.616 -3.034 1.00 44.34 C ATOM 233 CD1 LEU A 17 3.113 -14.359 -2.365 1.00 1.50 C ATOM 234 CD2 LEU A 17 1.067 -15.532 -3.199 1.00 53.44 C ATOM 0 H LEU A 17 5.772 -16.464 -5.120 1.00 52.23 H new ATOM 0 HA LEU A 17 3.510 -17.900 -3.853 1.00 52.32 H new ATOM 0 HB2 LEU A 17 4.032 -15.079 -4.506 1.00 44.04 H new ATOM 0 HB3 LEU A 17 2.518 -15.657 -5.171 1.00 44.04 H new ATOM 0 HG LEU A 17 2.805 -16.469 -2.395 1.00 44.34 H new ATOM 0 HD11 LEU A 17 2.620 -14.220 -1.403 1.00 1.50 H new ATOM 0 HD12 LEU A 17 4.187 -14.459 -2.211 1.00 1.50 H new ATOM 0 HD13 LEU A 17 2.916 -13.496 -3.001 1.00 1.50 H new ATOM 0 HD21 LEU A 17 0.603 -15.377 -2.225 1.00 53.44 H new ATOM 0 HD22 LEU A 17 0.819 -14.698 -3.856 1.00 53.44 H new ATOM 0 HD23 LEU A 17 0.696 -16.460 -3.634 1.00 53.44 H new ATOM 246 N ASP A 18 2.268 -18.290 -6.069 1.00 52.03 N ATOM 247 CA ASP A 18 1.763 -18.836 -7.323 1.00 1.53 C ATOM 248 C ASP A 18 0.770 -17.878 -7.973 1.00 31.30 C ATOM 249 O ASP A 18 -0.127 -17.356 -7.312 1.00 2.31 O ATOM 250 CB ASP A 18 1.097 -20.193 -7.082 1.00 21.40 C ATOM 251 CG ASP A 18 1.199 -21.109 -8.286 1.00 31.11 C ATOM 252 OD1 ASP A 18 1.397 -20.596 -9.406 1.00 53.44 O ATOM 253 OD2 ASP A 18 1.078 -22.340 -8.107 1.00 31.41 O1- ATOM 0 H ASP A 18 1.619 -18.364 -5.285 1.00 52.03 H new ATOM 0 HA ASP A 18 2.608 -18.969 -7.999 1.00 1.53 H new ATOM 0 HB2 ASP A 18 1.562 -20.675 -6.222 1.00 21.40 H new ATOM 0 HB3 ASP A 18 0.047 -20.040 -6.833 1.00 21.40 H new ATOM 258 N ALA A 19 0.939 -17.649 -9.271 1.00 54.11 N ATOM 259 CA ALA A 19 0.058 -16.753 -10.010 1.00 4.04 C ATOM 260 C ALA A 19 -1.206 -17.476 -10.463 1.00 72.45 C ATOM 261 O ALA A 19 -2.248 -16.856 -10.674 1.00 54.10 O ATOM 262 CB ALA A 19 0.789 -16.163 -11.207 1.00 64.31 C ATOM 0 H ALA A 19 1.678 -18.072 -9.833 1.00 54.11 H new ATOM 0 HA ALA A 19 -0.238 -15.943 -9.343 1.00 4.04 H new ATOM 0 HB1 ALA A 19 0.119 -15.496 -11.750 1.00 64.31 H new ATOM 0 HB2 ALA A 19 1.658 -15.603 -10.863 1.00 64.31 H new ATOM 0 HB3 ALA A 19 1.114 -16.967 -11.867 1.00 64.31 H new ATOM 268 N VAL A 20 -1.107 -18.794 -10.611 1.00 1.32 N ATOM 269 CA VAL A 20 -2.242 -19.603 -11.039 1.00 4.11 C ATOM 270 C VAL A 20 -3.154 -19.935 -9.864 1.00 34.21 C ATOM 271 O VAL A 20 -4.377 -19.932 -9.994 1.00 24.34 O ATOM 272 CB VAL A 20 -1.779 -20.913 -11.703 1.00 64.24 C ATOM 273 CG1 VAL A 20 -2.969 -21.814 -11.994 1.00 42.40 C ATOM 274 CG2 VAL A 20 -1.000 -20.619 -12.977 1.00 1.33 C ATOM 0 H VAL A 20 -0.252 -19.324 -10.441 1.00 1.32 H new ATOM 0 HA VAL A 20 -2.795 -19.011 -11.768 1.00 4.11 H new ATOM 0 HB VAL A 20 -1.118 -21.435 -11.012 1.00 64.24 H new ATOM 0 HG11 VAL A 20 -2.622 -22.735 -12.463 1.00 42.40 H new ATOM 0 HG12 VAL A 20 -3.481 -22.052 -11.062 1.00 42.40 H new ATOM 0 HG13 VAL A 20 -3.658 -21.302 -12.666 1.00 42.40 H new ATOM 0 HG21 VAL A 20 -0.681 -21.556 -13.433 1.00 1.33 H new ATOM 0 HG22 VAL A 20 -1.636 -20.074 -13.675 1.00 1.33 H new ATOM 0 HG23 VAL A 20 -0.125 -20.016 -12.737 1.00 1.33 H new ATOM 284 N ARG A 21 -2.549 -20.224 -8.716 1.00 70.43 N ATOM 285 CA ARG A 21 -3.306 -20.560 -7.517 1.00 40.24 C ATOM 286 C ARG A 21 -3.550 -19.320 -6.662 1.00 25.13 C ATOM 287 O ARG A 21 -4.483 -19.279 -5.862 1.00 25.45 O ATOM 288 CB ARG A 21 -2.563 -21.618 -6.699 1.00 54.04 C ATOM 289 CG ARG A 21 -1.959 -22.727 -7.544 1.00 23.13 C ATOM 290 CD ARG A 21 -1.304 -23.793 -6.678 1.00 70.24 C ATOM 291 NE ARG A 21 -2.239 -24.364 -5.712 1.00 32.25 N ATOM 292 CZ ARG A 21 -1.932 -25.368 -4.898 1.00 13.33 C ATOM 293 NH1 ARG A 21 -0.722 -25.908 -4.933 1.00 64.54 N1+ ATOM 294 NH2 ARG A 21 -2.838 -25.833 -4.046 1.00 42.11 N ATOM 0 H ARG A 21 -1.537 -20.232 -8.592 1.00 70.43 H new ATOM 0 HA ARG A 21 -4.271 -20.961 -7.828 1.00 40.24 H new ATOM 0 HB2 ARG A 21 -1.770 -21.134 -6.129 1.00 54.04 H new ATOM 0 HB3 ARG A 21 -3.252 -22.057 -5.977 1.00 54.04 H new ATOM 0 HG2 ARG A 21 -2.736 -23.182 -8.158 1.00 23.13 H new ATOM 0 HG3 ARG A 21 -1.220 -22.305 -8.225 1.00 23.13 H new ATOM 0 HD2 ARG A 21 -0.911 -24.586 -7.314 1.00 70.24 H new ATOM 0 HD3 ARG A 21 -0.456 -23.359 -6.149 1.00 70.24 H new ATOM 0 HE ARG A 21 -3.179 -23.971 -5.660 1.00 32.25 H new ATOM 0 HH11 ARG A 21 -0.024 -25.553 -5.586 1.00 64.54 H new ATOM 0 HH12 ARG A 21 -0.489 -26.679 -4.307 1.00 64.54 H new ATOM 0 HH21 ARG A 21 -3.770 -25.419 -4.016 1.00 42.11 H new ATOM 0 HH22 ARG A 21 -2.602 -26.604 -3.421 1.00 42.11 H new ATOM 308 N GLY A 22 -2.704 -18.309 -6.839 1.00 14.01 N ATOM 309 CA GLY A 22 -2.844 -17.082 -6.077 1.00 71.33 C ATOM 310 C GLY A 22 -2.498 -17.266 -4.613 1.00 55.30 C ATOM 311 O GLY A 22 -2.966 -16.515 -3.758 1.00 35.44 O ATOM 0 H GLY A 22 -1.924 -18.318 -7.497 1.00 14.01 H new ATOM 0 HA2 GLY A 22 -2.198 -16.316 -6.506 1.00 71.33 H new ATOM 0 HA3 GLY A 22 -3.869 -16.720 -6.162 1.00 71.33 H new ATOM 315 N SER A 23 -1.676 -18.270 -4.322 1.00 52.31 N ATOM 316 CA SER A 23 -1.272 -18.554 -2.950 1.00 31.20 C ATOM 317 C SER A 23 0.210 -18.913 -2.883 1.00 73.43 C ATOM 318 O SER A 23 0.829 -19.286 -3.879 1.00 43.22 O ATOM 319 CB SER A 23 -2.111 -19.697 -2.375 1.00 51.44 C ATOM 320 OG SER A 23 -3.279 -19.203 -1.742 1.00 24.23 O ATOM 0 H SER A 23 -1.277 -18.900 -5.018 1.00 52.31 H new ATOM 0 HA SER A 23 -1.438 -17.656 -2.355 1.00 31.20 H new ATOM 0 HB2 SER A 23 -2.389 -20.385 -3.173 1.00 51.44 H new ATOM 0 HB3 SER A 23 -1.517 -20.264 -1.658 1.00 51.44 H new ATOM 0 HG SER A 23 -3.799 -19.953 -1.384 1.00 24.23 H new ATOM 326 N PRO A 24 0.792 -18.796 -1.681 1.00 13.40 N ATOM 327 CA PRO A 24 2.207 -19.104 -1.454 1.00 34.35 C ATOM 328 C PRO A 24 2.501 -20.596 -1.560 1.00 53.53 C ATOM 329 O PRO A 24 1.775 -21.422 -1.008 1.00 40.42 O ATOM 330 CB PRO A 24 2.452 -18.611 -0.025 1.00 12.41 C ATOM 331 CG PRO A 24 1.115 -18.665 0.629 1.00 62.31 C ATOM 332 CD PRO A 24 0.113 -18.357 -0.450 1.00 53.31 C ATOM 0 HA PRO A 24 2.850 -18.635 -2.198 1.00 34.35 H new ATOM 0 HB2 PRO A 24 3.172 -19.243 0.494 1.00 12.41 H new ATOM 0 HB3 PRO A 24 2.855 -17.598 -0.019 1.00 12.41 H new ATOM 0 HG2 PRO A 24 0.932 -19.648 1.062 1.00 62.31 H new ATOM 0 HG3 PRO A 24 1.048 -17.941 1.441 1.00 62.31 H new ATOM 0 HD2 PRO A 24 -0.823 -18.893 -0.294 1.00 53.31 H new ATOM 0 HD3 PRO A 24 -0.130 -17.295 -0.482 1.00 53.31 H new ATOM 340 N ALA A 25 3.569 -20.935 -2.274 1.00 24.51 N ATOM 341 CA ALA A 25 3.960 -22.328 -2.451 1.00 10.44 C ATOM 342 C ALA A 25 4.662 -22.863 -1.208 1.00 33.45 C ATOM 343 O ALA A 25 5.380 -22.131 -0.525 1.00 43.13 O ATOM 344 CB ALA A 25 4.857 -22.475 -3.671 1.00 61.41 C ATOM 0 H ALA A 25 4.179 -20.263 -2.740 1.00 24.51 H new ATOM 0 HA ALA A 25 3.055 -22.916 -2.607 1.00 10.44 H new ATOM 0 HB1 ALA A 25 5.141 -23.521 -3.790 1.00 61.41 H new ATOM 0 HB2 ALA A 25 4.321 -22.141 -4.559 1.00 61.41 H new ATOM 0 HB3 ALA A 25 5.753 -21.869 -3.539 1.00 61.41 H new ATOM 350 N ILE A 26 4.451 -24.143 -0.918 1.00 22.35 N ATOM 351 CA ILE A 26 5.065 -24.775 0.243 1.00 34.21 C ATOM 352 C ILE A 26 6.159 -25.751 -0.177 1.00 14.43 C ATOM 353 O ILE A 26 6.039 -26.434 -1.193 1.00 25.11 O ATOM 354 CB ILE A 26 4.023 -25.524 1.094 1.00 4.42 C ATOM 355 CG1 ILE A 26 3.096 -24.529 1.797 1.00 3.20 C ATOM 356 CG2 ILE A 26 4.713 -26.422 2.109 1.00 54.14 C ATOM 357 CD1 ILE A 26 2.050 -25.190 2.666 1.00 11.52 C ATOM 0 H ILE A 26 3.859 -24.763 -1.472 1.00 22.35 H new ATOM 0 HA ILE A 26 5.504 -23.977 0.841 1.00 34.21 H new ATOM 0 HB ILE A 26 3.421 -26.150 0.436 1.00 4.42 H new ATOM 0 HG12 ILE A 26 3.696 -23.857 2.411 1.00 3.20 H new ATOM 0 HG13 ILE A 26 2.598 -23.915 1.046 1.00 3.20 H new ATOM 0 HG21 ILE A 26 3.962 -26.944 2.702 1.00 54.14 H new ATOM 0 HG22 ILE A 26 5.334 -27.150 1.588 1.00 54.14 H new ATOM 0 HG23 ILE A 26 5.337 -25.816 2.766 1.00 54.14 H new ATOM 0 HD11 ILE A 26 1.429 -24.426 3.133 1.00 11.52 H new ATOM 0 HD12 ILE A 26 1.426 -25.840 2.053 1.00 11.52 H new ATOM 0 HD13 ILE A 26 2.540 -25.781 3.439 1.00 11.52 H new ATOM 369 N ASN A 27 7.225 -25.812 0.614 1.00 12.42 N ATOM 370 CA ASN A 27 8.340 -26.706 0.325 1.00 73.32 C ATOM 371 C ASN A 27 8.947 -26.396 -1.039 1.00 13.34 C ATOM 372 O ASN A 27 9.139 -27.290 -1.863 1.00 65.22 O ATOM 373 CB ASN A 27 7.878 -28.164 0.371 1.00 73.52 C ATOM 374 CG ASN A 27 7.757 -28.688 1.789 1.00 73.20 C ATOM 375 OD1 ASN A 27 8.044 -29.856 2.057 1.00 43.32 O ATOM 376 ND2 ASN A 27 7.332 -27.826 2.705 1.00 31.42 N ATOM 0 H ASN A 27 7.340 -25.253 1.460 1.00 12.42 H new ATOM 0 HA ASN A 27 9.104 -26.550 1.087 1.00 73.32 H new ATOM 0 HB2 ASN A 27 6.914 -28.253 -0.130 1.00 73.52 H new ATOM 0 HB3 ASN A 27 8.583 -28.783 -0.183 1.00 73.52 H new ATOM 0 HD21 ASN A 27 7.232 -28.122 3.676 1.00 31.42 H new ATOM 0 HD22 ASN A 27 7.106 -26.868 2.438 1.00 31.42 H new ATOM 383 N VAL A 28 9.248 -25.122 -1.271 1.00 10.34 N ATOM 384 CA VAL A 28 9.835 -24.693 -2.535 1.00 3.15 C ATOM 385 C VAL A 28 11.357 -24.671 -2.456 1.00 50.12 C ATOM 386 O VAL A 28 11.948 -23.723 -1.938 1.00 52.30 O ATOM 387 CB VAL A 28 9.332 -23.294 -2.941 1.00 72.20 C ATOM 388 CG1 VAL A 28 9.998 -22.842 -4.232 1.00 40.10 C ATOM 389 CG2 VAL A 28 7.819 -23.293 -3.084 1.00 33.20 C ATOM 0 H VAL A 28 9.095 -24.369 -0.600 1.00 10.34 H new ATOM 0 HA VAL A 28 9.525 -25.416 -3.289 1.00 3.15 H new ATOM 0 HB VAL A 28 9.600 -22.588 -2.155 1.00 72.20 H new ATOM 0 HG11 VAL A 28 9.631 -21.852 -4.504 1.00 40.10 H new ATOM 0 HG12 VAL A 28 11.078 -22.802 -4.090 1.00 40.10 H new ATOM 0 HG13 VAL A 28 9.763 -23.547 -5.029 1.00 40.10 H new ATOM 0 HG21 VAL A 28 7.481 -22.297 -3.371 1.00 33.20 H new ATOM 0 HG22 VAL A 28 7.525 -24.011 -3.850 1.00 33.20 H new ATOM 0 HG23 VAL A 28 7.364 -23.571 -2.133 1.00 33.20 H new ATOM 399 N ALA A 29 11.986 -25.722 -2.971 1.00 21.11 N ATOM 400 CA ALA A 29 13.440 -25.822 -2.960 1.00 13.43 C ATOM 401 C ALA A 29 14.081 -24.582 -3.574 1.00 73.30 C ATOM 402 O ALA A 29 14.011 -24.369 -4.786 1.00 24.22 O ATOM 403 CB ALA A 29 13.888 -27.072 -3.703 1.00 1.22 C ATOM 0 H ALA A 29 11.512 -26.516 -3.401 1.00 21.11 H new ATOM 0 HA ALA A 29 13.767 -25.892 -1.922 1.00 13.43 H new ATOM 0 HB1 ALA A 29 14.976 -27.134 -3.687 1.00 1.22 H new ATOM 0 HB2 ALA A 29 13.467 -27.953 -3.219 1.00 1.22 H new ATOM 0 HB3 ALA A 29 13.542 -27.025 -4.736 1.00 1.22 H new ATOM 409 N VAL A 30 14.706 -23.765 -2.732 1.00 52.51 N ATOM 410 CA VAL A 30 15.359 -22.545 -3.193 1.00 62.05 C ATOM 411 C VAL A 30 16.836 -22.539 -2.817 1.00 64.44 C ATOM 412 O VAL A 30 17.220 -23.027 -1.754 1.00 3.33 O ATOM 413 CB VAL A 30 14.685 -21.292 -2.605 1.00 11.02 C ATOM 414 CG1 VAL A 30 15.344 -20.030 -3.141 1.00 43.41 C ATOM 415 CG2 VAL A 30 13.194 -21.296 -2.911 1.00 50.55 C ATOM 0 H VAL A 30 14.774 -23.926 -1.727 1.00 52.51 H new ATOM 0 HA VAL A 30 15.263 -22.524 -4.279 1.00 62.05 H new ATOM 0 HB VAL A 30 14.811 -21.307 -1.522 1.00 11.02 H new ATOM 0 HG11 VAL A 30 14.854 -19.155 -2.714 1.00 43.41 H new ATOM 0 HG12 VAL A 30 16.399 -20.026 -2.866 1.00 43.41 H new ATOM 0 HG13 VAL A 30 15.252 -20.004 -4.227 1.00 43.41 H new ATOM 0 HG21 VAL A 30 12.733 -20.403 -2.488 1.00 50.55 H new ATOM 0 HG22 VAL A 30 13.044 -21.305 -3.991 1.00 50.55 H new ATOM 0 HG23 VAL A 30 12.735 -22.183 -2.474 1.00 50.55 H new ATOM 425 N HIS A 31 17.662 -21.980 -3.695 1.00 4.33 N ATOM 426 CA HIS A 31 19.099 -21.907 -3.455 1.00 20.44 C ATOM 427 C HIS A 31 19.619 -20.493 -3.694 1.00 70.41 C ATOM 428 O HIS A 31 19.073 -19.749 -4.510 1.00 62.13 O ATOM 429 CB HIS A 31 19.838 -22.894 -4.358 1.00 42.03 C ATOM 430 CG HIS A 31 19.137 -24.209 -4.509 1.00 51.24 C ATOM 431 ND1 HIS A 31 18.993 -24.851 -5.721 1.00 72.51 N ATOM 432 CD2 HIS A 31 18.536 -25.004 -3.592 1.00 21.01 C ATOM 433 CE1 HIS A 31 18.335 -25.982 -5.543 1.00 63.14 C ATOM 434 NE2 HIS A 31 18.047 -26.098 -4.259 1.00 23.04 N ATOM 0 H HIS A 31 17.361 -21.571 -4.580 1.00 4.33 H new ATOM 0 HA HIS A 31 19.282 -22.171 -2.413 1.00 20.44 H new ATOM 0 HB2 HIS A 31 19.968 -22.446 -5.343 1.00 42.03 H new ATOM 0 HB3 HIS A 31 20.835 -23.068 -3.953 1.00 42.03 H new ATOM 0 HD2 HIS A 31 18.457 -24.812 -2.532 1.00 21.01 H new ATOM 0 HE1 HIS A 31 18.076 -26.691 -6.315 1.00 63.14 H new ATOM 0 HE2 HIS A 31 17.543 -26.875 -3.833 1.00 23.04 H new ATOM 442 N VAL A 32 20.678 -20.127 -2.978 1.00 33.14 N ATOM 443 CA VAL A 32 21.272 -18.803 -3.114 1.00 13.25 C ATOM 444 C VAL A 32 22.783 -18.894 -3.293 1.00 62.02 C ATOM 445 O VAL A 32 23.478 -19.514 -2.488 1.00 63.22 O ATOM 446 CB VAL A 32 20.963 -17.922 -1.889 1.00 11.21 C ATOM 447 CG1 VAL A 32 21.352 -16.476 -2.159 1.00 62.34 C ATOM 448 CG2 VAL A 32 19.492 -18.026 -1.515 1.00 30.45 C ATOM 0 H VAL A 32 21.142 -20.729 -2.298 1.00 33.14 H new ATOM 0 HA VAL A 32 20.831 -18.347 -4.001 1.00 13.25 H new ATOM 0 HB VAL A 32 21.555 -18.281 -1.047 1.00 11.21 H new ATOM 0 HG11 VAL A 32 21.126 -15.869 -1.282 1.00 62.34 H new ATOM 0 HG12 VAL A 32 22.419 -16.420 -2.374 1.00 62.34 H new ATOM 0 HG13 VAL A 32 20.790 -16.102 -3.014 1.00 62.34 H new ATOM 0 HG21 VAL A 32 19.292 -17.397 -0.648 1.00 30.45 H new ATOM 0 HG22 VAL A 32 18.879 -17.694 -2.353 1.00 30.45 H new ATOM 0 HG23 VAL A 32 19.250 -19.062 -1.276 1.00 30.45 H new ATOM 458 N PHE A 33 23.286 -18.272 -4.354 1.00 14.51 N ATOM 459 CA PHE A 33 24.716 -18.283 -4.640 1.00 10.33 C ATOM 460 C PHE A 33 25.262 -16.862 -4.739 1.00 51.44 C ATOM 461 O PHE A 33 24.508 -15.908 -4.938 1.00 61.13 O ATOM 462 CB PHE A 33 24.991 -19.039 -5.942 1.00 54.22 C ATOM 463 CG PHE A 33 24.607 -20.491 -5.885 1.00 35.32 C ATOM 464 CD1 PHE A 33 23.276 -20.870 -5.930 1.00 23.55 C ATOM 465 CD2 PHE A 33 25.578 -21.475 -5.786 1.00 63.43 C ATOM 466 CE1 PHE A 33 22.919 -22.205 -5.878 1.00 31.23 C ATOM 467 CE2 PHE A 33 25.227 -22.810 -5.734 1.00 51.24 C ATOM 468 CZ PHE A 33 23.896 -23.176 -5.779 1.00 15.51 C ATOM 0 H PHE A 33 22.725 -17.754 -5.030 1.00 14.51 H new ATOM 0 HA PHE A 33 25.222 -18.791 -3.819 1.00 10.33 H new ATOM 0 HB2 PHE A 33 24.445 -18.559 -6.754 1.00 54.22 H new ATOM 0 HB3 PHE A 33 26.052 -18.961 -6.181 1.00 54.22 H new ATOM 0 HD1 PHE A 33 22.508 -20.115 -6.007 1.00 23.55 H new ATOM 0 HD2 PHE A 33 26.620 -21.195 -5.749 1.00 63.43 H new ATOM 0 HE1 PHE A 33 21.877 -22.488 -5.915 1.00 31.23 H new ATOM 0 HE2 PHE A 33 25.993 -23.567 -5.658 1.00 51.24 H new ATOM 0 HZ PHE A 33 23.620 -24.219 -5.737 1.00 15.51 H new ATOM 478 N ARG A 34 26.577 -16.728 -4.600 1.00 32.15 N ATOM 479 CA ARG A 34 27.224 -15.424 -4.672 1.00 13.44 C ATOM 480 C ARG A 34 28.257 -15.391 -5.795 1.00 21.02 C ATOM 481 O ARG A 34 28.899 -16.398 -6.093 1.00 3.34 O ATOM 482 CB ARG A 34 27.894 -15.090 -3.337 1.00 72.25 C ATOM 483 CG ARG A 34 29.204 -15.826 -3.113 1.00 3.34 C ATOM 484 CD ARG A 34 29.706 -15.650 -1.687 1.00 53.42 C ATOM 485 NE ARG A 34 31.161 -15.729 -1.605 1.00 31.04 N ATOM 486 CZ ARG A 34 31.972 -14.734 -1.942 1.00 34.30 C ATOM 487 NH1 ARG A 34 31.473 -13.586 -2.382 1.00 44.53 N1+ ATOM 488 NH2 ARG A 34 33.287 -14.882 -1.840 1.00 2.43 N ATOM 0 H ARG A 34 27.215 -17.507 -4.437 1.00 32.15 H new ATOM 0 HA ARG A 34 26.459 -14.677 -4.884 1.00 13.44 H new ATOM 0 HB2 ARG A 34 28.077 -14.017 -3.291 1.00 72.25 H new ATOM 0 HB3 ARG A 34 27.208 -15.331 -2.525 1.00 72.25 H new ATOM 0 HG2 ARG A 34 29.067 -16.887 -3.323 1.00 3.34 H new ATOM 0 HG3 ARG A 34 29.954 -15.457 -3.812 1.00 3.34 H new ATOM 0 HD2 ARG A 34 29.373 -14.686 -1.302 1.00 53.42 H new ATOM 0 HD3 ARG A 34 29.265 -16.417 -1.050 1.00 53.42 H new ATOM 0 HE ARG A 34 31.578 -16.598 -1.270 1.00 31.04 H new ATOM 0 HH11 ARG A 34 30.463 -13.466 -2.462 1.00 44.53 H new ATOM 0 HH12 ARG A 34 32.099 -12.823 -2.640 1.00 44.53 H new ATOM 0 HH21 ARG A 34 33.676 -15.762 -1.502 1.00 2.43 H new ATOM 0 HH22 ARG A 34 33.908 -14.116 -2.100 1.00 2.43 H new ATOM 502 N LYS A 35 28.412 -14.226 -6.415 1.00 54.20 N ATOM 503 CA LYS A 35 29.366 -14.059 -7.504 1.00 73.31 C ATOM 504 C LYS A 35 30.786 -13.908 -6.966 1.00 71.34 C ATOM 505 O LYS A 35 31.127 -12.887 -6.369 1.00 63.22 O ATOM 506 CB LYS A 35 28.998 -12.839 -8.350 1.00 24.12 C ATOM 507 CG LYS A 35 30.092 -12.414 -9.313 1.00 14.42 C ATOM 508 CD LYS A 35 30.493 -13.549 -10.239 1.00 34.13 C ATOM 509 CE LYS A 35 29.500 -13.715 -11.380 1.00 42.22 C ATOM 510 NZ LYS A 35 29.561 -15.079 -11.974 1.00 53.31 N1+ ATOM 0 H LYS A 35 27.888 -13.383 -6.181 1.00 54.20 H new ATOM 0 HA LYS A 35 29.326 -14.952 -8.128 1.00 73.31 H new ATOM 0 HB2 LYS A 35 28.093 -13.060 -8.916 1.00 24.12 H new ATOM 0 HB3 LYS A 35 28.765 -12.005 -7.688 1.00 24.12 H new ATOM 0 HG2 LYS A 35 29.748 -11.566 -9.904 1.00 14.42 H new ATOM 0 HG3 LYS A 35 30.963 -12.078 -8.750 1.00 14.42 H new ATOM 0 HD2 LYS A 35 31.486 -13.355 -10.645 1.00 34.13 H new ATOM 0 HD3 LYS A 35 30.556 -14.478 -9.672 1.00 34.13 H new ATOM 0 HE2 LYS A 35 28.491 -13.523 -11.014 1.00 42.22 H new ATOM 0 HE3 LYS A 35 29.706 -12.973 -12.152 1.00 42.22 H new ATOM 0 HZ1 LYS A 35 28.596 -15.421 -12.159 1.00 53.31 H new ATOM 0 HZ2 LYS A 35 30.093 -15.045 -12.867 1.00 53.31 H new ATOM 0 HZ3 LYS A 35 30.036 -15.725 -11.312 1.00 53.31 H new ATOM 524 N ALA A 36 31.607 -14.930 -7.181 1.00 33.44 N ATOM 525 CA ALA A 36 32.990 -14.908 -6.721 1.00 70.02 C ATOM 526 C ALA A 36 33.835 -13.962 -7.566 1.00 20.11 C ATOM 527 O ALA A 36 33.321 -13.277 -8.449 1.00 35.22 O ATOM 528 CB ALA A 36 33.578 -16.311 -6.748 1.00 3.22 C ATOM 0 H ALA A 36 31.339 -15.784 -7.671 1.00 33.44 H new ATOM 0 HA ALA A 36 32.999 -14.542 -5.694 1.00 70.02 H new ATOM 0 HB1 ALA A 36 34.611 -16.279 -6.402 1.00 3.22 H new ATOM 0 HB2 ALA A 36 32.996 -16.962 -6.095 1.00 3.22 H new ATOM 0 HB3 ALA A 36 33.548 -16.698 -7.766 1.00 3.22 H new ATOM 534 N ALA A 37 35.135 -13.929 -7.289 1.00 24.23 N ATOM 535 CA ALA A 37 36.051 -13.068 -8.025 1.00 41.33 C ATOM 536 C ALA A 37 36.508 -13.731 -9.320 1.00 62.24 C ATOM 537 O ALA A 37 37.232 -13.130 -10.115 1.00 15.13 O ATOM 538 CB ALA A 37 37.252 -12.712 -7.160 1.00 20.34 C ATOM 0 H ALA A 37 35.577 -14.489 -6.560 1.00 24.23 H new ATOM 0 HA ALA A 37 35.519 -12.152 -8.284 1.00 41.33 H new ATOM 0 HB1 ALA A 37 37.928 -12.068 -7.723 1.00 20.34 H new ATOM 0 HB2 ALA A 37 36.914 -12.189 -6.265 1.00 20.34 H new ATOM 0 HB3 ALA A 37 37.775 -13.623 -6.871 1.00 20.34 H new ATOM 544 N ASP A 38 36.082 -14.973 -9.525 1.00 62.14 N ATOM 545 CA ASP A 38 36.447 -15.718 -10.725 1.00 4.12 C ATOM 546 C ASP A 38 35.275 -15.786 -11.699 1.00 0.42 C ATOM 547 O ASP A 38 35.205 -16.684 -12.538 1.00 23.13 O ATOM 548 CB ASP A 38 36.901 -17.130 -10.354 1.00 0.10 C ATOM 549 CG ASP A 38 37.917 -17.686 -11.334 1.00 65.21 C ATOM 550 OD1 ASP A 38 38.865 -16.955 -11.684 1.00 40.31 O1- ATOM 551 OD2 ASP A 38 37.761 -18.854 -11.750 1.00 5.41 O ATOM 0 H ASP A 38 35.484 -15.485 -8.876 1.00 62.14 H new ATOM 0 HA ASP A 38 37.271 -15.196 -11.212 1.00 4.12 H new ATOM 0 HB2 ASP A 38 37.333 -17.119 -9.354 1.00 0.10 H new ATOM 0 HB3 ASP A 38 36.034 -17.790 -10.319 1.00 0.10 H new ATOM 556 N ASP A 39 34.359 -14.831 -11.582 1.00 22.23 N ATOM 557 CA ASP A 39 33.190 -14.784 -12.453 1.00 13.11 C ATOM 558 C ASP A 39 32.365 -16.060 -12.326 1.00 31.25 C ATOM 559 O ASP A 39 31.769 -16.527 -13.297 1.00 44.13 O ATOM 560 CB ASP A 39 33.619 -14.581 -13.907 1.00 2.13 C ATOM 561 CG ASP A 39 34.315 -13.252 -14.126 1.00 55.52 C ATOM 562 OD1 ASP A 39 35.386 -13.036 -13.522 1.00 22.43 O ATOM 563 OD2 ASP A 39 33.788 -12.427 -14.901 1.00 75.13 O1- ATOM 0 H ASP A 39 34.403 -14.080 -10.893 1.00 22.23 H new ATOM 0 HA ASP A 39 32.571 -13.942 -12.144 1.00 13.11 H new ATOM 0 HB2 ASP A 39 34.287 -15.390 -14.202 1.00 2.13 H new ATOM 0 HB3 ASP A 39 32.743 -14.640 -14.553 1.00 2.13 H new ATOM 568 N THR A 40 32.333 -16.622 -11.121 1.00 30.11 N ATOM 569 CA THR A 40 31.584 -17.844 -10.867 1.00 25.33 C ATOM 570 C THR A 40 30.585 -17.652 -9.731 1.00 51.15 C ATOM 571 O THR A 40 30.623 -16.645 -9.023 1.00 63.30 O ATOM 572 CB THR A 40 32.521 -19.015 -10.517 1.00 62.55 C ATOM 573 OG1 THR A 40 33.220 -18.737 -9.298 1.00 73.04 O ATOM 574 CG2 THR A 40 33.521 -19.261 -11.637 1.00 33.22 C ATOM 0 H THR A 40 32.819 -16.248 -10.305 1.00 30.11 H new ATOM 0 HA THR A 40 31.046 -18.080 -11.785 1.00 25.33 H new ATOM 0 HB THR A 40 31.914 -19.911 -10.390 1.00 62.55 H new ATOM 0 HG1 THR A 40 33.812 -19.487 -9.082 1.00 73.04 H new ATOM 0 HG21 THR A 40 34.172 -20.092 -11.367 1.00 33.22 H new ATOM 0 HG22 THR A 40 32.986 -19.502 -12.556 1.00 33.22 H new ATOM 0 HG23 THR A 40 34.122 -18.365 -11.791 1.00 33.22 H new ATOM 582 N TRP A 41 29.692 -18.621 -9.564 1.00 51.02 N ATOM 583 CA TRP A 41 28.683 -18.556 -8.514 1.00 63.44 C ATOM 584 C TRP A 41 28.956 -19.597 -7.434 1.00 42.43 C ATOM 585 O TRP A 41 28.901 -20.800 -7.691 1.00 72.23 O ATOM 586 CB TRP A 41 27.288 -18.769 -9.104 1.00 61.33 C ATOM 587 CG TRP A 41 26.948 -17.792 -10.190 1.00 74.13 C ATOM 588 CD1 TRP A 41 26.980 -18.020 -11.536 1.00 3.01 C ATOM 589 CD2 TRP A 41 26.526 -16.435 -10.020 1.00 44.13 C ATOM 590 NE1 TRP A 41 26.604 -16.886 -12.213 1.00 54.41 N ATOM 591 CE2 TRP A 41 26.319 -15.900 -11.306 1.00 1.20 C ATOM 592 CE3 TRP A 41 26.300 -15.621 -8.907 1.00 51.42 C ATOM 593 CZ2 TRP A 41 25.900 -14.587 -11.507 1.00 72.03 C ATOM 594 CZ3 TRP A 41 25.885 -14.319 -9.108 1.00 23.02 C ATOM 595 CH2 TRP A 41 25.687 -13.813 -10.400 1.00 4.00 C ATOM 0 H TRP A 41 29.646 -19.460 -10.142 1.00 51.02 H new ATOM 0 HA TRP A 41 28.730 -17.566 -8.060 1.00 63.44 H new ATOM 0 HB2 TRP A 41 27.220 -19.782 -9.501 1.00 61.33 H new ATOM 0 HB3 TRP A 41 26.548 -18.689 -8.308 1.00 61.33 H new ATOM 0 HD1 TRP A 41 27.260 -18.954 -12.000 1.00 3.01 H new ATOM 0 HE1 TRP A 41 26.546 -16.793 -13.227 1.00 54.41 H new ATOM 0 HE3 TRP A 41 26.447 -16.003 -7.908 1.00 51.42 H new ATOM 0 HZ2 TRP A 41 25.749 -14.194 -12.502 1.00 72.03 H new ATOM 0 HZ3 TRP A 41 25.710 -13.680 -8.255 1.00 23.02 H new ATOM 0 HH2 TRP A 41 25.360 -12.791 -10.524 1.00 4.00 H new ATOM 606 N GLU A 42 29.248 -19.128 -6.225 1.00 14.31 N ATOM 607 CA GLU A 42 29.528 -20.020 -5.106 1.00 22.31 C ATOM 608 C GLU A 42 28.293 -20.198 -4.228 1.00 30.22 C ATOM 609 O GLU A 42 27.377 -19.375 -4.228 1.00 23.11 O ATOM 610 CB GLU A 42 30.689 -19.478 -4.270 1.00 42.11 C ATOM 611 CG GLU A 42 32.057 -19.861 -4.807 1.00 72.32 C ATOM 612 CD GLU A 42 33.038 -20.215 -3.705 1.00 0.20 C ATOM 613 OE1 GLU A 42 32.639 -20.936 -2.766 1.00 22.45 O ATOM 614 OE2 GLU A 42 34.202 -19.772 -3.780 1.00 22.10 O1- ATOM 0 H GLU A 42 29.297 -18.135 -5.995 1.00 14.31 H new ATOM 0 HA GLU A 42 29.806 -20.993 -5.512 1.00 22.31 H new ATOM 0 HB2 GLU A 42 30.617 -18.391 -4.225 1.00 42.11 H new ATOM 0 HB3 GLU A 42 30.593 -19.846 -3.249 1.00 42.11 H new ATOM 0 HG2 GLU A 42 31.953 -20.710 -5.483 1.00 72.32 H new ATOM 0 HG3 GLU A 42 32.458 -19.034 -5.393 1.00 72.32 H new ATOM 621 N PRO A 43 28.266 -21.296 -3.459 1.00 55.32 N ATOM 622 CA PRO A 43 27.151 -21.608 -2.561 1.00 0.45 C ATOM 623 C PRO A 43 27.080 -20.656 -1.372 1.00 61.23 C ATOM 624 O PRO A 43 28.014 -20.573 -0.574 1.00 55.41 O ATOM 625 CB PRO A 43 27.461 -23.030 -2.090 1.00 61.34 C ATOM 626 CG PRO A 43 28.939 -23.159 -2.220 1.00 40.42 C ATOM 627 CD PRO A 43 29.325 -22.320 -3.407 1.00 75.22 C ATOM 0 HA PRO A 43 26.187 -21.511 -3.060 1.00 0.45 H new ATOM 0 HB2 PRO A 43 27.139 -23.185 -1.060 1.00 61.34 H new ATOM 0 HB3 PRO A 43 26.944 -23.771 -2.700 1.00 61.34 H new ATOM 0 HG2 PRO A 43 29.442 -22.813 -1.317 1.00 40.42 H new ATOM 0 HG3 PRO A 43 29.229 -24.200 -2.367 1.00 40.42 H new ATOM 0 HD2 PRO A 43 30.311 -21.873 -3.280 1.00 75.22 H new ATOM 0 HD3 PRO A 43 29.359 -22.910 -4.323 1.00 75.22 H new ATOM 635 N PHE A 44 25.967 -19.939 -1.259 1.00 1.12 N ATOM 636 CA PHE A 44 25.775 -18.992 -0.167 1.00 62.35 C ATOM 637 C PHE A 44 24.799 -19.544 0.866 1.00 72.22 C ATOM 638 O PHE A 44 25.124 -19.649 2.049 1.00 41.04 O ATOM 639 CB PHE A 44 25.261 -17.655 -0.707 1.00 22.21 C ATOM 640 CG PHE A 44 25.081 -16.608 0.355 1.00 51.13 C ATOM 641 CD1 PHE A 44 26.160 -16.175 1.108 1.00 54.50 C ATOM 642 CD2 PHE A 44 23.833 -16.058 0.599 1.00 44.44 C ATOM 643 CE1 PHE A 44 25.996 -15.212 2.087 1.00 13.33 C ATOM 644 CE2 PHE A 44 23.664 -15.096 1.577 1.00 23.30 C ATOM 645 CZ PHE A 44 24.748 -14.671 2.321 1.00 2.44 C ATOM 0 H PHE A 44 25.184 -19.996 -1.910 1.00 1.12 H new ATOM 0 HA PHE A 44 26.739 -18.834 0.317 1.00 62.35 H new ATOM 0 HB2 PHE A 44 25.959 -17.283 -1.458 1.00 22.21 H new ATOM 0 HB3 PHE A 44 24.308 -17.818 -1.210 1.00 22.21 H new ATOM 0 HD1 PHE A 44 27.139 -16.594 0.929 1.00 54.50 H new ATOM 0 HD2 PHE A 44 22.983 -16.385 0.019 1.00 44.44 H new ATOM 0 HE1 PHE A 44 26.845 -14.883 2.669 1.00 13.33 H new ATOM 0 HE2 PHE A 44 22.686 -14.677 1.759 1.00 23.30 H new ATOM 0 HZ PHE A 44 24.619 -13.917 3.084 1.00 2.44 H new ATOM 655 N ALA A 45 23.600 -19.895 0.412 1.00 74.54 N ATOM 656 CA ALA A 45 22.576 -20.438 1.295 1.00 71.13 C ATOM 657 C ALA A 45 21.562 -21.267 0.516 1.00 63.11 C ATOM 658 O ALA A 45 21.625 -21.352 -0.710 1.00 0.42 O ATOM 659 CB ALA A 45 21.877 -19.314 2.047 1.00 14.12 C ATOM 0 H ALA A 45 23.314 -19.813 -0.564 1.00 74.54 H new ATOM 0 HA ALA A 45 23.064 -21.094 2.016 1.00 71.13 H new ATOM 0 HB1 ALA A 45 21.115 -19.734 2.703 1.00 14.12 H new ATOM 0 HB2 ALA A 45 22.607 -18.766 2.643 1.00 14.12 H new ATOM 0 HB3 ALA A 45 21.408 -18.636 1.334 1.00 14.12 H new ATOM 665 N SER A 46 20.626 -21.879 1.236 1.00 60.52 N ATOM 666 CA SER A 46 19.600 -22.706 0.612 1.00 52.32 C ATOM 667 C SER A 46 18.505 -23.060 1.613 1.00 40.50 C ATOM 668 O SER A 46 18.763 -23.209 2.806 1.00 65.02 O ATOM 669 CB SER A 46 20.221 -23.983 0.044 1.00 70.12 C ATOM 670 OG SER A 46 19.297 -25.057 0.075 1.00 13.53 O ATOM 0 H SER A 46 20.558 -21.817 2.252 1.00 60.52 H new ATOM 0 HA SER A 46 19.153 -22.135 -0.202 1.00 52.32 H new ATOM 0 HB2 SER A 46 20.546 -23.808 -0.982 1.00 70.12 H new ATOM 0 HB3 SER A 46 21.109 -24.246 0.619 1.00 70.12 H new ATOM 0 HG SER A 46 19.718 -25.861 -0.295 1.00 13.53 H new ATOM 676 N GLY A 47 17.278 -23.193 1.116 1.00 11.14 N ATOM 677 CA GLY A 47 16.161 -23.528 1.979 1.00 1.53 C ATOM 678 C GLY A 47 14.860 -23.671 1.214 1.00 63.12 C ATOM 679 O GLY A 47 14.822 -23.484 -0.002 1.00 62.23 O ATOM 0 H GLY A 47 17.039 -23.075 0.132 1.00 11.14 H new ATOM 0 HA2 GLY A 47 16.376 -24.460 2.501 1.00 1.53 H new ATOM 0 HA3 GLY A 47 16.049 -22.755 2.739 1.00 1.53 H new ATOM 683 N LYS A 48 13.790 -24.003 1.928 1.00 51.41 N ATOM 684 CA LYS A 48 12.480 -24.172 1.309 1.00 3.33 C ATOM 685 C LYS A 48 11.468 -23.198 1.905 1.00 14.54 C ATOM 686 O LYS A 48 11.645 -22.706 3.021 1.00 53.10 O ATOM 687 CB LYS A 48 11.987 -25.609 1.492 1.00 54.50 C ATOM 688 CG LYS A 48 12.865 -26.643 0.808 1.00 35.21 C ATOM 689 CD LYS A 48 12.418 -28.059 1.136 1.00 13.00 C ATOM 690 CE LYS A 48 13.399 -29.090 0.603 1.00 55.05 C ATOM 691 NZ LYS A 48 13.047 -30.470 1.040 1.00 60.34 N1+ ATOM 0 H LYS A 48 13.804 -24.160 2.936 1.00 51.41 H new ATOM 0 HA LYS A 48 12.580 -23.961 0.244 1.00 3.33 H new ATOM 0 HB2 LYS A 48 11.937 -25.834 2.557 1.00 54.50 H new ATOM 0 HB3 LYS A 48 10.973 -25.689 1.101 1.00 54.50 H new ATOM 0 HG2 LYS A 48 12.834 -26.491 -0.271 1.00 35.21 H new ATOM 0 HG3 LYS A 48 13.900 -26.506 1.120 1.00 35.21 H new ATOM 0 HD2 LYS A 48 12.322 -28.171 2.216 1.00 13.00 H new ATOM 0 HD3 LYS A 48 11.432 -28.239 0.708 1.00 13.00 H new ATOM 0 HE2 LYS A 48 13.415 -29.047 -0.486 1.00 55.05 H new ATOM 0 HE3 LYS A 48 14.404 -28.846 0.946 1.00 55.05 H new ATOM 0 HZ1 LYS A 48 13.740 -31.143 0.656 1.00 60.34 H new ATOM 0 HZ2 LYS A 48 13.057 -30.518 2.079 1.00 60.34 H new ATOM 0 HZ3 LYS A 48 12.098 -30.713 0.691 1.00 60.34 H new ATOM 705 N THR A 49 10.405 -22.923 1.155 1.00 35.43 N ATOM 706 CA THR A 49 9.365 -22.009 1.608 1.00 51.31 C ATOM 707 C THR A 49 8.339 -22.729 2.476 1.00 3.20 C ATOM 708 O THR A 49 8.336 -23.957 2.560 1.00 55.41 O ATOM 709 CB THR A 49 8.641 -21.346 0.421 1.00 40.10 C ATOM 710 OG1 THR A 49 7.964 -22.341 -0.356 1.00 34.44 O ATOM 711 CG2 THR A 49 9.626 -20.592 -0.461 1.00 72.54 C ATOM 0 H THR A 49 10.242 -23.321 0.230 1.00 35.43 H new ATOM 0 HA THR A 49 9.860 -21.238 2.198 1.00 51.31 H new ATOM 0 HB THR A 49 7.915 -20.636 0.817 1.00 40.10 H new ATOM 0 HG1 THR A 49 7.029 -22.401 -0.068 1.00 34.44 H new ATOM 0 HG21 THR A 49 9.092 -20.132 -1.292 1.00 72.54 H new ATOM 0 HG22 THR A 49 10.120 -19.817 0.125 1.00 72.54 H new ATOM 0 HG23 THR A 49 10.372 -21.286 -0.848 1.00 72.54 H new ATOM 719 N SER A 50 7.469 -21.957 3.119 1.00 13.14 N ATOM 720 CA SER A 50 6.440 -22.523 3.983 1.00 23.01 C ATOM 721 C SER A 50 5.049 -22.096 3.524 1.00 61.40 C ATOM 722 O SER A 50 4.883 -21.571 2.423 1.00 4.13 O ATOM 723 CB SER A 50 6.665 -22.087 5.433 1.00 14.25 C ATOM 724 OG SER A 50 8.048 -21.979 5.724 1.00 22.21 O ATOM 0 H SER A 50 7.456 -20.939 3.058 1.00 13.14 H new ATOM 0 HA SER A 50 6.507 -23.609 3.922 1.00 23.01 H new ATOM 0 HB2 SER A 50 6.177 -21.128 5.608 1.00 14.25 H new ATOM 0 HB3 SER A 50 6.203 -22.807 6.108 1.00 14.25 H new ATOM 0 HG SER A 50 8.165 -21.698 6.655 1.00 22.21 H new ATOM 730 N GLU A 51 4.055 -22.327 4.374 1.00 40.23 N ATOM 731 CA GLU A 51 2.677 -21.967 4.054 1.00 60.32 C ATOM 732 C GLU A 51 2.556 -20.470 3.783 1.00 42.55 C ATOM 733 O GLU A 51 1.588 -20.016 3.172 1.00 73.13 O ATOM 734 CB GLU A 51 1.743 -22.367 5.199 1.00 71.34 C ATOM 735 CG GLU A 51 2.272 -21.995 6.573 1.00 5.20 C ATOM 736 CD GLU A 51 1.261 -21.219 7.396 1.00 50.43 C ATOM 737 OE1 GLU A 51 0.447 -21.860 8.093 1.00 12.23 O ATOM 738 OE2 GLU A 51 1.285 -19.971 7.343 1.00 51.42 O1- ATOM 0 H GLU A 51 4.176 -22.761 5.289 1.00 40.23 H new ATOM 0 HA GLU A 51 2.386 -22.507 3.153 1.00 60.32 H new ATOM 0 HB2 GLU A 51 0.774 -21.890 5.050 1.00 71.34 H new ATOM 0 HB3 GLU A 51 1.577 -23.444 5.162 1.00 71.34 H new ATOM 0 HG2 GLU A 51 2.552 -22.902 7.109 1.00 5.20 H new ATOM 0 HG3 GLU A 51 3.178 -21.399 6.461 1.00 5.20 H new ATOM 745 N SER A 52 3.544 -19.709 4.242 1.00 0.31 N ATOM 746 CA SER A 52 3.546 -18.263 4.054 1.00 24.21 C ATOM 747 C SER A 52 4.316 -17.881 2.793 1.00 24.50 C ATOM 748 O SER A 52 4.209 -16.757 2.303 1.00 12.24 O ATOM 749 CB SER A 52 4.160 -17.569 5.270 1.00 63.01 C ATOM 750 OG SER A 52 3.185 -17.340 6.272 1.00 15.33 O ATOM 0 H SER A 52 4.354 -20.070 4.747 1.00 0.31 H new ATOM 0 HA SER A 52 2.513 -17.935 3.942 1.00 24.21 H new ATOM 0 HB2 SER A 52 4.965 -18.182 5.675 1.00 63.01 H new ATOM 0 HB3 SER A 52 4.604 -16.621 4.966 1.00 63.01 H new ATOM 0 HG SER A 52 3.603 -16.897 7.040 1.00 15.33 H new ATOM 756 N GLY A 53 5.094 -18.825 2.273 1.00 45.14 N ATOM 757 CA GLY A 53 5.872 -18.570 1.075 1.00 60.22 C ATOM 758 C GLY A 53 7.152 -17.812 1.366 1.00 74.10 C ATOM 759 O GLY A 53 7.936 -17.535 0.459 1.00 12.51 O ATOM 0 H GLY A 53 5.199 -19.763 2.660 1.00 45.14 H new ATOM 0 HA2 GLY A 53 6.116 -19.518 0.595 1.00 60.22 H new ATOM 0 HA3 GLY A 53 5.269 -18.001 0.368 1.00 60.22 H new ATOM 763 N GLU A 54 7.363 -17.474 2.634 1.00 43.33 N ATOM 764 CA GLU A 54 8.557 -16.742 3.040 1.00 51.21 C ATOM 765 C GLU A 54 9.625 -17.694 3.573 1.00 32.34 C ATOM 766 O GLU A 54 9.313 -18.703 4.205 1.00 45.34 O ATOM 767 CB GLU A 54 8.206 -15.703 4.108 1.00 52.21 C ATOM 768 CG GLU A 54 9.422 -15.046 4.740 1.00 3.13 C ATOM 769 CD GLU A 54 9.813 -15.688 6.056 1.00 12.04 C ATOM 770 OE1 GLU A 54 10.553 -16.694 6.029 1.00 73.43 O1- ATOM 771 OE2 GLU A 54 9.381 -15.185 7.114 1.00 3.21 O ATOM 0 H GLU A 54 6.723 -17.695 3.397 1.00 43.33 H new ATOM 0 HA GLU A 54 8.955 -16.232 2.163 1.00 51.21 H new ATOM 0 HB2 GLU A 54 7.578 -14.932 3.661 1.00 52.21 H new ATOM 0 HB3 GLU A 54 7.615 -16.182 4.889 1.00 52.21 H new ATOM 0 HG2 GLU A 54 10.262 -15.104 4.048 1.00 3.13 H new ATOM 0 HG3 GLU A 54 9.215 -13.988 4.903 1.00 3.13 H new ATOM 778 N LEU A 55 10.885 -17.365 3.311 1.00 2.41 N ATOM 779 CA LEU A 55 12.000 -18.190 3.764 1.00 22.44 C ATOM 780 C LEU A 55 13.065 -17.338 4.446 1.00 75.42 C ATOM 781 O LEU A 55 13.777 -16.573 3.794 1.00 42.00 O ATOM 782 CB LEU A 55 12.614 -18.943 2.582 1.00 1.43 C ATOM 783 CG LEU A 55 13.823 -19.823 2.902 1.00 62.34 C ATOM 784 CD1 LEU A 55 13.514 -20.751 4.066 1.00 65.40 C ATOM 785 CD2 LEU A 55 14.240 -20.623 1.677 1.00 12.22 C ATOM 0 H LEU A 55 11.160 -16.534 2.788 1.00 2.41 H new ATOM 0 HA LEU A 55 11.618 -18.910 4.488 1.00 22.44 H new ATOM 0 HB2 LEU A 55 11.842 -19.569 2.135 1.00 1.43 H new ATOM 0 HB3 LEU A 55 12.910 -18.215 1.827 1.00 1.43 H new ATOM 0 HG LEU A 55 14.653 -19.177 3.189 1.00 62.34 H new ATOM 0 HD11 LEU A 55 14.386 -21.370 4.279 1.00 65.40 H new ATOM 0 HD12 LEU A 55 13.264 -20.159 4.947 1.00 65.40 H new ATOM 0 HD13 LEU A 55 12.670 -21.390 3.807 1.00 65.40 H new ATOM 0 HD21 LEU A 55 15.102 -21.243 1.924 1.00 12.22 H new ATOM 0 HD22 LEU A 55 13.414 -21.259 1.359 1.00 12.22 H new ATOM 0 HD23 LEU A 55 14.504 -19.940 0.869 1.00 12.22 H new ATOM 797 N HIS A 56 13.173 -17.478 5.764 1.00 62.22 N ATOM 798 CA HIS A 56 14.153 -16.723 6.536 1.00 52.21 C ATOM 799 C HIS A 56 15.151 -17.660 7.211 1.00 65.14 C ATOM 800 O HIS A 56 14.898 -18.856 7.349 1.00 61.43 O ATOM 801 CB HIS A 56 13.453 -15.861 7.587 1.00 44.24 C ATOM 802 CG HIS A 56 13.419 -14.405 7.242 1.00 31.34 C ATOM 803 ND1 HIS A 56 14.338 -13.495 7.722 1.00 24.42 N ATOM 804 CD2 HIS A 56 12.571 -13.701 6.455 1.00 65.14 C ATOM 805 CE1 HIS A 56 14.055 -12.295 7.248 1.00 13.10 C ATOM 806 NE2 HIS A 56 12.988 -12.393 6.476 1.00 75.35 N ATOM 0 H HIS A 56 12.594 -18.108 6.319 1.00 62.22 H new ATOM 0 HA HIS A 56 14.697 -16.074 5.850 1.00 52.21 H new ATOM 0 HB2 HIS A 56 12.432 -16.219 7.717 1.00 44.24 H new ATOM 0 HB3 HIS A 56 13.959 -15.987 8.544 1.00 44.24 H new ATOM 0 HD1 HIS A 56 15.115 -13.715 8.346 1.00 24.42 H new ATOM 0 HD2 HIS A 56 11.725 -14.095 5.912 1.00 65.14 H new ATOM 0 HE1 HIS A 56 14.603 -11.388 7.456 1.00 13.10 H new ATOM 814 N GLY A 57 16.284 -17.107 7.630 1.00 54.50 N ATOM 815 CA GLY A 57 17.303 -17.908 8.285 1.00 51.11 C ATOM 816 C GLY A 57 18.188 -18.640 7.297 1.00 44.14 C ATOM 817 O GLY A 57 18.463 -19.830 7.461 1.00 3.50 O ATOM 0 H GLY A 57 16.515 -16.119 7.528 1.00 54.50 H new ATOM 0 HA2 GLY A 57 17.919 -17.264 8.912 1.00 51.11 H new ATOM 0 HA3 GLY A 57 16.824 -18.632 8.944 1.00 51.11 H new ATOM 821 N LEU A 58 18.636 -17.930 6.267 1.00 1.11 N ATOM 822 CA LEU A 58 19.496 -18.520 5.247 1.00 53.45 C ATOM 823 C LEU A 58 20.968 -18.316 5.591 1.00 62.15 C ATOM 824 O LEU A 58 21.778 -19.237 5.473 1.00 35.35 O ATOM 825 CB LEU A 58 19.190 -17.907 3.879 1.00 64.24 C ATOM 826 CG LEU A 58 18.161 -18.650 3.027 1.00 4.24 C ATOM 827 CD1 LEU A 58 17.846 -17.862 1.764 1.00 55.53 C ATOM 828 CD2 LEU A 58 18.662 -20.043 2.676 1.00 62.04 C ATOM 0 H LEU A 58 18.418 -16.945 6.116 1.00 1.11 H new ATOM 0 HA LEU A 58 19.296 -19.591 5.212 1.00 53.45 H new ATOM 0 HB2 LEU A 58 18.838 -16.887 4.031 1.00 64.24 H new ATOM 0 HB3 LEU A 58 20.121 -17.843 3.315 1.00 64.24 H new ATOM 0 HG LEU A 58 17.244 -18.752 3.607 1.00 4.24 H new ATOM 0 HD11 LEU A 58 17.112 -18.406 1.170 1.00 55.53 H new ATOM 0 HD12 LEU A 58 17.443 -16.886 2.035 1.00 55.53 H new ATOM 0 HD13 LEU A 58 18.758 -17.729 1.181 1.00 55.53 H new ATOM 0 HD21 LEU A 58 17.916 -20.556 2.069 1.00 62.04 H new ATOM 0 HD22 LEU A 58 19.593 -19.964 2.115 1.00 62.04 H new ATOM 0 HD23 LEU A 58 18.836 -20.608 3.591 1.00 62.04 H new ATOM 840 N THR A 59 21.308 -17.105 6.019 1.00 11.10 N ATOM 841 CA THR A 59 22.683 -16.780 6.382 1.00 32.02 C ATOM 842 C THR A 59 22.727 -15.712 7.468 1.00 65.34 C ATOM 843 O THR A 59 21.689 -15.233 7.926 1.00 12.31 O ATOM 844 CB THR A 59 23.485 -16.288 5.162 1.00 50.44 C ATOM 845 OG1 THR A 59 22.701 -15.361 4.403 1.00 55.13 O ATOM 846 CG2 THR A 59 23.895 -17.456 4.277 1.00 44.44 C ATOM 0 H THR A 59 20.651 -16.332 6.123 1.00 11.10 H new ATOM 0 HA THR A 59 23.135 -17.697 6.759 1.00 32.02 H new ATOM 0 HB THR A 59 24.386 -15.792 5.523 1.00 50.44 H new ATOM 0 HG1 THR A 59 23.243 -14.996 3.672 1.00 55.13 H new ATOM 0 HG21 THR A 59 24.460 -17.084 3.422 1.00 44.44 H new ATOM 0 HG22 THR A 59 24.515 -18.146 4.849 1.00 44.44 H new ATOM 0 HG23 THR A 59 23.004 -17.976 3.925 1.00 44.44 H new ATOM 854 N THR A 60 23.936 -15.342 7.879 1.00 54.44 N ATOM 855 CA THR A 60 24.116 -14.330 8.912 1.00 13.13 C ATOM 856 C THR A 60 24.471 -12.978 8.303 1.00 21.15 C ATOM 857 O THR A 60 24.802 -12.889 7.122 1.00 14.52 O ATOM 858 CB THR A 60 25.217 -14.736 9.911 1.00 25.41 C ATOM 859 OG1 THR A 60 26.422 -15.053 9.207 1.00 64.13 O ATOM 860 CG2 THR A 60 24.779 -15.932 10.741 1.00 52.01 C ATOM 0 H THR A 60 24.805 -15.729 7.512 1.00 54.44 H new ATOM 0 HA THR A 60 23.167 -14.248 9.442 1.00 13.13 H new ATOM 0 HB THR A 60 25.398 -13.896 10.581 1.00 25.41 H new ATOM 0 HG1 THR A 60 27.118 -15.308 9.848 1.00 64.13 H new ATOM 0 HG21 THR A 60 25.572 -16.201 11.439 1.00 52.01 H new ATOM 0 HG22 THR A 60 23.877 -15.678 11.297 1.00 52.01 H new ATOM 0 HG23 THR A 60 24.574 -16.776 10.083 1.00 52.01 H new ATOM 868 N GLU A 61 24.399 -11.930 9.118 1.00 22.20 N ATOM 869 CA GLU A 61 24.714 -10.583 8.657 1.00 34.44 C ATOM 870 C GLU A 61 26.214 -10.424 8.427 1.00 75.15 C ATOM 871 O GLU A 61 26.645 -9.574 7.647 1.00 20.20 O ATOM 872 CB GLU A 61 24.230 -9.547 9.673 1.00 63.34 C ATOM 873 CG GLU A 61 24.365 -8.112 9.191 1.00 15.31 C ATOM 874 CD GLU A 61 23.297 -7.201 9.765 1.00 74.31 C ATOM 875 OE1 GLU A 61 22.112 -7.380 9.414 1.00 31.33 O ATOM 876 OE2 GLU A 61 23.647 -6.310 10.566 1.00 53.10 O1- ATOM 0 H GLU A 61 24.126 -11.988 10.099 1.00 22.20 H new ATOM 0 HA GLU A 61 24.200 -10.421 7.710 1.00 34.44 H new ATOM 0 HB2 GLU A 61 23.185 -9.745 9.911 1.00 63.34 H new ATOM 0 HB3 GLU A 61 24.795 -9.666 10.597 1.00 63.34 H new ATOM 0 HG2 GLU A 61 25.348 -7.731 9.466 1.00 15.31 H new ATOM 0 HG3 GLU A 61 24.308 -8.091 8.103 1.00 15.31 H new ATOM 883 N GLU A 62 27.003 -11.246 9.111 1.00 42.53 N ATOM 884 CA GLU A 62 28.455 -11.194 8.982 1.00 43.33 C ATOM 885 C GLU A 62 28.920 -11.986 7.763 1.00 65.32 C ATOM 886 O GLU A 62 29.989 -11.725 7.213 1.00 62.24 O ATOM 887 CB GLU A 62 29.121 -11.743 10.245 1.00 54.13 C ATOM 888 CG GLU A 62 28.497 -11.234 11.533 1.00 32.32 C ATOM 889 CD GLU A 62 29.522 -10.666 12.494 1.00 63.21 C ATOM 890 OE1 GLU A 62 30.420 -11.422 12.920 1.00 22.34 O1- ATOM 891 OE2 GLU A 62 29.427 -9.464 12.820 1.00 12.42 O ATOM 0 H GLU A 62 26.662 -11.955 9.760 1.00 42.53 H new ATOM 0 HA GLU A 62 28.746 -10.152 8.850 1.00 43.33 H new ATOM 0 HB2 GLU A 62 29.066 -12.832 10.230 1.00 54.13 H new ATOM 0 HB3 GLU A 62 30.178 -11.477 10.233 1.00 54.13 H new ATOM 0 HG2 GLU A 62 27.761 -10.465 11.297 1.00 32.32 H new ATOM 0 HG3 GLU A 62 27.961 -12.049 12.019 1.00 32.32 H new ATOM 898 N GLU A 63 28.110 -12.954 7.348 1.00 72.05 N ATOM 899 CA GLU A 63 28.439 -13.785 6.195 1.00 4.24 C ATOM 900 C GLU A 63 27.867 -13.188 4.913 1.00 63.22 C ATOM 901 O GLU A 63 28.428 -13.359 3.831 1.00 24.32 O ATOM 902 CB GLU A 63 27.906 -15.205 6.393 1.00 2.20 C ATOM 903 CG GLU A 63 28.044 -16.084 5.161 1.00 63.03 C ATOM 904 CD GLU A 63 28.463 -17.502 5.500 1.00 12.25 C ATOM 905 OE1 GLU A 63 27.998 -18.027 6.532 1.00 44.51 O1- ATOM 906 OE2 GLU A 63 29.256 -18.085 4.732 1.00 13.21 O ATOM 0 H GLU A 63 27.221 -13.183 7.793 1.00 72.05 H new ATOM 0 HA GLU A 63 29.525 -13.822 6.104 1.00 4.24 H new ATOM 0 HB2 GLU A 63 28.437 -15.671 7.223 1.00 2.20 H new ATOM 0 HB3 GLU A 63 26.855 -15.153 6.676 1.00 2.20 H new ATOM 0 HG2 GLU A 63 27.094 -16.108 4.628 1.00 63.03 H new ATOM 0 HG3 GLU A 63 28.778 -15.644 4.486 1.00 63.03 H new ATOM 913 N PHE A 64 26.745 -12.487 5.043 1.00 65.55 N ATOM 914 CA PHE A 64 26.094 -11.866 3.895 1.00 2.44 C ATOM 915 C PHE A 64 26.847 -10.614 3.455 1.00 64.41 C ATOM 916 O PHE A 64 26.505 -9.500 3.851 1.00 23.03 O ATOM 917 CB PHE A 64 24.645 -11.512 4.235 1.00 11.52 C ATOM 918 CG PHE A 64 23.764 -11.370 3.026 1.00 62.32 C ATOM 919 CD1 PHE A 64 24.024 -10.400 2.072 1.00 2.21 C ATOM 920 CD2 PHE A 64 22.675 -12.207 2.844 1.00 23.14 C ATOM 921 CE1 PHE A 64 23.217 -10.267 0.959 1.00 22.10 C ATOM 922 CE2 PHE A 64 21.863 -12.080 1.733 1.00 23.23 C ATOM 923 CZ PHE A 64 22.134 -11.108 0.790 1.00 20.10 C ATOM 0 H PHE A 64 26.268 -12.335 5.932 1.00 65.55 H new ATOM 0 HA PHE A 64 26.102 -12.581 3.072 1.00 2.44 H new ATOM 0 HB2 PHE A 64 24.234 -12.284 4.886 1.00 11.52 H new ATOM 0 HB3 PHE A 64 24.630 -10.579 4.798 1.00 11.52 H new ATOM 0 HD1 PHE A 64 24.869 -9.739 2.200 1.00 2.21 H new ATOM 0 HD2 PHE A 64 22.458 -12.968 3.579 1.00 23.14 H new ATOM 0 HE1 PHE A 64 23.432 -9.507 0.222 1.00 22.10 H new ATOM 0 HE2 PHE A 64 21.018 -12.740 1.602 1.00 23.23 H new ATOM 0 HZ PHE A 64 21.500 -11.005 -0.078 1.00 20.10 H new ATOM 933 N VAL A 65 27.874 -10.806 2.633 1.00 21.05 N ATOM 934 CA VAL A 65 28.675 -9.693 2.139 1.00 15.40 C ATOM 935 C VAL A 65 28.011 -9.029 0.938 1.00 44.42 C ATOM 936 O VAL A 65 26.963 -9.474 0.472 1.00 15.41 O ATOM 937 CB VAL A 65 30.089 -10.155 1.739 1.00 4.22 C ATOM 938 CG1 VAL A 65 30.872 -10.599 2.965 1.00 44.35 C ATOM 939 CG2 VAL A 65 30.013 -11.271 0.709 1.00 3.14 C ATOM 0 H VAL A 65 28.170 -11.722 2.295 1.00 21.05 H new ATOM 0 HA VAL A 65 28.752 -8.972 2.953 1.00 15.40 H new ATOM 0 HB VAL A 65 30.615 -9.313 1.289 1.00 4.22 H new ATOM 0 HG11 VAL A 65 31.868 -10.922 2.663 1.00 44.35 H new ATOM 0 HG12 VAL A 65 30.957 -9.767 3.664 1.00 44.35 H new ATOM 0 HG13 VAL A 65 30.353 -11.427 3.448 1.00 44.35 H new ATOM 0 HG21 VAL A 65 31.021 -11.585 0.438 1.00 3.14 H new ATOM 0 HG22 VAL A 65 29.470 -12.117 1.129 1.00 3.14 H new ATOM 0 HG23 VAL A 65 29.494 -10.911 -0.179 1.00 3.14 H new ATOM 949 N GLU A 66 28.629 -7.960 0.443 1.00 71.12 N ATOM 950 CA GLU A 66 28.095 -7.234 -0.703 1.00 72.12 C ATOM 951 C GLU A 66 28.524 -7.893 -2.012 1.00 23.14 C ATOM 952 O GLU A 66 29.443 -8.711 -2.035 1.00 1.30 O ATOM 953 CB GLU A 66 28.564 -5.778 -0.676 1.00 3.54 C ATOM 954 CG GLU A 66 30.076 -5.624 -0.703 1.00 73.15 C ATOM 955 CD GLU A 66 30.512 -4.198 -0.978 1.00 11.41 C ATOM 956 OE1 GLU A 66 30.229 -3.319 -0.139 1.00 63.51 O ATOM 957 OE2 GLU A 66 31.137 -3.963 -2.034 1.00 4.44 O1- ATOM 0 H GLU A 66 29.498 -7.579 0.817 1.00 71.12 H new ATOM 0 HA GLU A 66 27.007 -7.259 -0.642 1.00 72.12 H new ATOM 0 HB2 GLU A 66 28.139 -5.252 -1.531 1.00 3.54 H new ATOM 0 HB3 GLU A 66 28.174 -5.296 0.221 1.00 3.54 H new ATOM 0 HG2 GLU A 66 30.488 -5.948 0.253 1.00 73.15 H new ATOM 0 HG3 GLU A 66 30.491 -6.281 -1.468 1.00 73.15 H new ATOM 964 N GLY A 67 27.851 -7.531 -3.099 1.00 24.52 N ATOM 965 CA GLY A 67 28.175 -8.096 -4.396 1.00 43.11 C ATOM 966 C GLY A 67 26.955 -8.636 -5.114 1.00 53.01 C ATOM 967 O GLY A 67 25.822 -8.308 -4.760 1.00 30.33 O ATOM 0 H GLY A 67 27.086 -6.856 -3.105 1.00 24.52 H new ATOM 0 HA2 GLY A 67 28.648 -7.332 -5.014 1.00 43.11 H new ATOM 0 HA3 GLY A 67 28.902 -8.898 -4.268 1.00 43.11 H new ATOM 971 N ILE A 68 27.185 -9.464 -6.127 1.00 63.14 N ATOM 972 CA ILE A 68 26.095 -10.051 -6.897 1.00 74.20 C ATOM 973 C ILE A 68 25.735 -11.437 -6.374 1.00 31.45 C ATOM 974 O ILE A 68 26.594 -12.168 -5.880 1.00 12.54 O ATOM 975 CB ILE A 68 26.455 -10.156 -8.391 1.00 73.34 C ATOM 976 CG1 ILE A 68 27.032 -8.831 -8.893 1.00 50.12 C ATOM 977 CG2 ILE A 68 25.230 -10.548 -9.205 1.00 20.00 C ATOM 978 CD1 ILE A 68 28.544 -8.812 -8.944 1.00 72.12 C ATOM 0 H ILE A 68 28.117 -9.744 -6.434 1.00 63.14 H new ATOM 0 HA ILE A 68 25.237 -9.389 -6.783 1.00 74.20 H new ATOM 0 HB ILE A 68 27.212 -10.931 -8.513 1.00 73.34 H new ATOM 0 HG12 ILE A 68 26.640 -8.628 -9.890 1.00 50.12 H new ATOM 0 HG13 ILE A 68 26.688 -8.025 -8.245 1.00 50.12 H new ATOM 0 HG21 ILE A 68 25.500 -10.618 -10.259 1.00 20.00 H new ATOM 0 HG22 ILE A 68 24.858 -11.513 -8.861 1.00 20.00 H new ATOM 0 HG23 ILE A 68 24.453 -9.794 -9.079 1.00 20.00 H new ATOM 0 HD11 ILE A 68 28.884 -7.843 -9.309 1.00 72.12 H new ATOM 0 HD12 ILE A 68 28.944 -8.984 -7.945 1.00 72.12 H new ATOM 0 HD13 ILE A 68 28.895 -9.596 -9.615 1.00 72.12 H new ATOM 990 N TYR A 69 24.460 -11.794 -6.487 1.00 70.53 N ATOM 991 CA TYR A 69 23.986 -13.092 -6.024 1.00 5.55 C ATOM 992 C TYR A 69 23.029 -13.715 -7.037 1.00 31.10 C ATOM 993 O TYR A 69 22.430 -13.016 -7.853 1.00 43.33 O ATOM 994 CB TYR A 69 23.290 -12.951 -4.669 1.00 75.15 C ATOM 995 CG TYR A 69 24.246 -12.725 -3.519 1.00 74.35 C ATOM 996 CD1 TYR A 69 24.820 -11.479 -3.301 1.00 43.05 C ATOM 997 CD2 TYR A 69 24.574 -13.759 -2.649 1.00 31.25 C ATOM 998 CE1 TYR A 69 25.694 -11.269 -2.252 1.00 42.14 C ATOM 999 CE2 TYR A 69 25.445 -13.557 -1.597 1.00 72.34 C ATOM 1000 CZ TYR A 69 26.004 -12.311 -1.402 1.00 12.51 C ATOM 1001 OH TYR A 69 26.873 -12.105 -0.356 1.00 52.05 O ATOM 0 H TYR A 69 23.737 -11.202 -6.895 1.00 70.53 H new ATOM 0 HA TYR A 69 24.850 -13.748 -5.915 1.00 5.55 H new ATOM 0 HB2 TYR A 69 22.587 -12.119 -4.715 1.00 75.15 H new ATOM 0 HB3 TYR A 69 22.706 -13.851 -4.474 1.00 75.15 H new ATOM 0 HD1 TYR A 69 24.579 -10.660 -3.963 1.00 43.05 H new ATOM 0 HD2 TYR A 69 24.140 -14.737 -2.799 1.00 31.25 H new ATOM 0 HE1 TYR A 69 26.133 -10.294 -2.098 1.00 42.14 H new ATOM 0 HE2 TYR A 69 25.688 -14.371 -0.930 1.00 72.34 H new ATOM 0 HH TYR A 69 26.964 -11.143 -0.191 1.00 52.05 H new ATOM 1011 N LYS A 70 22.892 -15.035 -6.976 1.00 53.33 N ATOM 1012 CA LYS A 70 22.008 -15.755 -7.886 1.00 53.10 C ATOM 1013 C LYS A 70 21.092 -16.702 -7.117 1.00 14.23 C ATOM 1014 O LYS A 70 21.558 -17.575 -6.385 1.00 71.33 O ATOM 1015 CB LYS A 70 22.828 -16.542 -8.911 1.00 4.23 C ATOM 1016 CG LYS A 70 21.998 -17.101 -10.053 1.00 73.02 C ATOM 1017 CD LYS A 70 22.795 -18.088 -10.890 1.00 24.44 C ATOM 1018 CE LYS A 70 22.944 -19.425 -10.183 1.00 24.25 C ATOM 1019 NZ LYS A 70 24.030 -20.251 -10.780 1.00 5.14 N1+ ATOM 0 H LYS A 70 23.382 -15.628 -6.306 1.00 53.33 H new ATOM 0 HA LYS A 70 21.391 -15.024 -8.408 1.00 53.10 H new ATOM 0 HB2 LYS A 70 23.603 -15.893 -9.320 1.00 4.23 H new ATOM 0 HB3 LYS A 70 23.335 -17.364 -8.405 1.00 4.23 H new ATOM 0 HG2 LYS A 70 21.112 -17.594 -9.653 1.00 73.02 H new ATOM 0 HG3 LYS A 70 21.650 -16.284 -10.685 1.00 73.02 H new ATOM 0 HD2 LYS A 70 22.300 -18.236 -11.850 1.00 24.44 H new ATOM 0 HD3 LYS A 70 23.781 -17.675 -11.101 1.00 24.44 H new ATOM 0 HE2 LYS A 70 23.155 -19.256 -9.127 1.00 24.25 H new ATOM 0 HE3 LYS A 70 22.002 -19.971 -10.236 1.00 24.25 H new ATOM 0 HZ1 LYS A 70 24.308 -20.996 -10.110 1.00 5.14 H new ATOM 0 HZ2 LYS A 70 23.690 -20.687 -11.661 1.00 5.14 H new ATOM 0 HZ3 LYS A 70 24.851 -19.648 -10.987 1.00 5.14 H new ATOM 1033 N VAL A 71 19.786 -16.524 -7.288 1.00 73.11 N ATOM 1034 CA VAL A 71 18.804 -17.364 -6.613 1.00 34.45 C ATOM 1035 C VAL A 71 18.121 -18.308 -7.595 1.00 63.22 C ATOM 1036 O VAL A 71 17.750 -17.909 -8.699 1.00 63.42 O ATOM 1037 CB VAL A 71 17.734 -16.515 -5.903 1.00 32.41 C ATOM 1038 CG1 VAL A 71 16.652 -17.407 -5.310 1.00 2.33 C ATOM 1039 CG2 VAL A 71 18.369 -15.648 -4.828 1.00 13.51 C ATOM 0 H VAL A 71 19.383 -15.805 -7.889 1.00 73.11 H new ATOM 0 HA VAL A 71 19.345 -17.949 -5.869 1.00 34.45 H new ATOM 0 HB VAL A 71 17.269 -15.859 -6.638 1.00 32.41 H new ATOM 0 HG11 VAL A 71 15.904 -16.790 -4.812 1.00 2.33 H new ATOM 0 HG12 VAL A 71 16.177 -17.981 -6.106 1.00 2.33 H new ATOM 0 HG13 VAL A 71 17.099 -18.090 -4.587 1.00 2.33 H new ATOM 0 HG21 VAL A 71 17.598 -15.055 -4.337 1.00 13.51 H new ATOM 0 HG22 VAL A 71 18.862 -16.283 -4.092 1.00 13.51 H new ATOM 0 HG23 VAL A 71 19.103 -14.983 -5.283 1.00 13.51 H new ATOM 1049 N GLU A 72 17.956 -19.563 -7.186 1.00 52.24 N ATOM 1050 CA GLU A 72 17.315 -20.563 -8.032 1.00 34.02 C ATOM 1051 C GLU A 72 16.126 -21.199 -7.316 1.00 45.41 C ATOM 1052 O GLU A 72 16.278 -21.800 -6.252 1.00 32.53 O ATOM 1053 CB GLU A 72 18.322 -21.644 -8.431 1.00 24.24 C ATOM 1054 CG GLU A 72 19.466 -21.124 -9.285 1.00 50.22 C ATOM 1055 CD GLU A 72 19.999 -22.169 -10.245 1.00 65.25 C ATOM 1056 OE1 GLU A 72 19.181 -22.908 -10.833 1.00 13.41 O ATOM 1057 OE2 GLU A 72 21.235 -22.249 -10.409 1.00 24.10 O1- ATOM 0 H GLU A 72 18.257 -19.910 -6.275 1.00 52.24 H new ATOM 0 HA GLU A 72 16.952 -20.065 -8.931 1.00 34.02 H new ATOM 0 HB2 GLU A 72 18.731 -22.099 -7.529 1.00 24.24 H new ATOM 0 HB3 GLU A 72 17.801 -22.431 -8.977 1.00 24.24 H new ATOM 0 HG2 GLU A 72 19.127 -20.256 -9.850 1.00 50.22 H new ATOM 0 HG3 GLU A 72 20.274 -20.786 -8.636 1.00 50.22 H new ATOM 1064 N ILE A 73 14.945 -21.062 -7.909 1.00 61.12 N ATOM 1065 CA ILE A 73 13.731 -21.623 -7.330 1.00 75.21 C ATOM 1066 C ILE A 73 13.292 -22.876 -8.080 1.00 61.50 C ATOM 1067 O ILE A 73 13.315 -22.914 -9.311 1.00 61.15 O ATOM 1068 CB ILE A 73 12.578 -20.602 -7.339 1.00 41.15 C ATOM 1069 CG1 ILE A 73 13.054 -19.258 -6.782 1.00 2.24 C ATOM 1070 CG2 ILE A 73 11.398 -21.127 -6.536 1.00 45.44 C ATOM 1071 CD1 ILE A 73 11.978 -18.195 -6.772 1.00 64.32 C ATOM 0 H ILE A 73 14.803 -20.568 -8.790 1.00 61.12 H new ATOM 0 HA ILE A 73 13.966 -21.884 -6.298 1.00 75.21 H new ATOM 0 HB ILE A 73 12.253 -20.453 -8.369 1.00 41.15 H new ATOM 0 HG12 ILE A 73 13.419 -19.404 -5.765 1.00 2.24 H new ATOM 0 HG13 ILE A 73 13.897 -18.905 -7.376 1.00 2.24 H new ATOM 0 HG21 ILE A 73 10.592 -20.394 -6.552 1.00 45.44 H new ATOM 0 HG22 ILE A 73 11.047 -22.062 -6.973 1.00 45.44 H new ATOM 0 HG23 ILE A 73 11.708 -21.302 -5.506 1.00 45.44 H new ATOM 0 HD11 ILE A 73 12.385 -17.269 -6.365 1.00 64.32 H new ATOM 0 HD12 ILE A 73 11.629 -18.021 -7.790 1.00 64.32 H new ATOM 0 HD13 ILE A 73 11.144 -18.527 -6.154 1.00 64.32 H new ATOM 1083 N ASP A 74 12.891 -23.897 -7.332 1.00 20.43 N ATOM 1084 CA ASP A 74 12.444 -25.151 -7.926 1.00 51.21 C ATOM 1085 C ASP A 74 10.922 -25.255 -7.894 1.00 25.22 C ATOM 1086 O ASP A 74 10.345 -25.811 -6.959 1.00 75.54 O ATOM 1087 CB ASP A 74 13.063 -26.340 -7.189 1.00 1.22 C ATOM 1088 CG ASP A 74 14.473 -26.640 -7.657 1.00 72.00 C ATOM 1089 OD1 ASP A 74 15.016 -25.846 -8.455 1.00 14.52 O1- ATOM 1090 OD2 ASP A 74 15.036 -27.668 -7.226 1.00 5.22 O ATOM 0 H ASP A 74 12.866 -23.881 -6.312 1.00 20.43 H new ATOM 0 HA ASP A 74 12.771 -25.168 -8.966 1.00 51.21 H new ATOM 0 HB2 ASP A 74 13.075 -26.134 -6.119 1.00 1.22 H new ATOM 0 HB3 ASP A 74 12.439 -27.221 -7.338 1.00 1.22 H new ATOM 1095 N THR A 75 10.275 -24.714 -8.922 1.00 25.23 N ATOM 1096 CA THR A 75 8.820 -24.743 -9.011 1.00 73.01 C ATOM 1097 C THR A 75 8.317 -26.149 -9.316 1.00 65.31 C ATOM 1098 O THR A 75 7.177 -26.493 -9.004 1.00 53.44 O ATOM 1099 CB THR A 75 8.304 -23.778 -10.096 1.00 32.14 C ATOM 1100 OG1 THR A 75 8.540 -24.332 -11.395 1.00 31.11 O ATOM 1101 CG2 THR A 75 8.988 -22.424 -9.984 1.00 30.20 C ATOM 0 H THR A 75 10.736 -24.250 -9.705 1.00 25.23 H new ATOM 0 HA THR A 75 8.437 -24.425 -8.041 1.00 73.01 H new ATOM 0 HB THR A 75 7.233 -23.639 -9.950 1.00 32.14 H new ATOM 0 HG1 THR A 75 7.763 -24.862 -11.670 1.00 31.11 H new ATOM 0 HG21 THR A 75 8.608 -21.759 -10.760 1.00 30.20 H new ATOM 0 HG22 THR A 75 8.783 -21.993 -9.004 1.00 30.20 H new ATOM 0 HG23 THR A 75 10.064 -22.548 -10.108 1.00 30.20 H new ATOM 1109 N LYS A 76 9.173 -26.959 -9.928 1.00 33.31 N ATOM 1110 CA LYS A 76 8.816 -28.331 -10.274 1.00 53.53 C ATOM 1111 C LYS A 76 8.313 -29.088 -9.049 1.00 52.22 C ATOM 1112 O LYS A 76 7.373 -29.877 -9.138 1.00 33.40 O ATOM 1113 CB LYS A 76 10.021 -29.057 -10.876 1.00 42.11 C ATOM 1114 CG LYS A 76 11.220 -29.122 -9.946 1.00 35.11 C ATOM 1115 CD LYS A 76 11.310 -30.466 -9.244 1.00 64.45 C ATOM 1116 CE LYS A 76 12.754 -30.866 -8.988 1.00 4.34 C ATOM 1117 NZ LYS A 76 12.857 -31.967 -7.990 1.00 11.00 N1+ ATOM 0 H LYS A 76 10.120 -26.690 -10.195 1.00 33.31 H new ATOM 0 HA LYS A 76 8.015 -28.296 -11.012 1.00 53.53 H new ATOM 0 HB2 LYS A 76 9.726 -30.071 -11.146 1.00 42.11 H new ATOM 0 HB3 LYS A 76 10.314 -28.554 -11.798 1.00 42.11 H new ATOM 0 HG2 LYS A 76 12.133 -28.946 -10.515 1.00 35.11 H new ATOM 0 HG3 LYS A 76 11.149 -28.327 -9.204 1.00 35.11 H new ATOM 0 HD2 LYS A 76 10.771 -30.420 -8.298 1.00 64.45 H new ATOM 0 HD3 LYS A 76 10.823 -31.228 -9.852 1.00 64.45 H new ATOM 0 HE2 LYS A 76 13.215 -31.181 -9.924 1.00 4.34 H new ATOM 0 HE3 LYS A 76 13.313 -30.000 -8.633 1.00 4.34 H new ATOM 0 HZ1 LYS A 76 13.857 -32.210 -7.844 1.00 11.00 H new ATOM 0 HZ2 LYS A 76 12.440 -31.659 -7.089 1.00 11.00 H new ATOM 0 HZ3 LYS A 76 12.345 -32.802 -8.340 1.00 11.00 H new ATOM 1131 N SER A 77 8.944 -28.840 -7.906 1.00 50.35 N ATOM 1132 CA SER A 77 8.562 -29.500 -6.663 1.00 24.21 C ATOM 1133 C SER A 77 7.146 -29.109 -6.253 1.00 74.33 C ATOM 1134 O SER A 77 6.422 -29.899 -5.646 1.00 24.13 O ATOM 1135 CB SER A 77 9.545 -29.142 -5.547 1.00 2.11 C ATOM 1136 OG SER A 77 10.881 -29.399 -5.942 1.00 64.04 O ATOM 0 H SER A 77 9.722 -28.187 -7.815 1.00 50.35 H new ATOM 0 HA SER A 77 8.589 -30.577 -6.830 1.00 24.21 H new ATOM 0 HB2 SER A 77 9.436 -28.089 -5.286 1.00 2.11 H new ATOM 0 HB3 SER A 77 9.310 -29.718 -4.652 1.00 2.11 H new ATOM 0 HG SER A 77 11.490 -29.160 -5.212 1.00 64.04 H new ATOM 1142 N TYR A 78 6.756 -27.884 -6.589 1.00 62.35 N ATOM 1143 CA TYR A 78 5.428 -27.385 -6.254 1.00 72.42 C ATOM 1144 C TYR A 78 4.405 -27.816 -7.301 1.00 51.41 C ATOM 1145 O TYR A 78 3.219 -27.955 -7.005 1.00 23.54 O ATOM 1146 CB TYR A 78 5.447 -25.860 -6.140 1.00 12.14 C ATOM 1147 CG TYR A 78 4.175 -25.280 -5.563 1.00 1.42 C ATOM 1148 CD1 TYR A 78 3.563 -25.862 -4.460 1.00 30.23 C ATOM 1149 CD2 TYR A 78 3.589 -24.151 -6.120 1.00 70.41 C ATOM 1150 CE1 TYR A 78 2.401 -25.336 -3.929 1.00 24.52 C ATOM 1151 CE2 TYR A 78 2.427 -23.617 -5.594 1.00 34.34 C ATOM 1152 CZ TYR A 78 1.837 -24.213 -4.500 1.00 21.50 C ATOM 1153 OH TYR A 78 0.680 -23.686 -3.973 1.00 72.23 O ATOM 0 H TYR A 78 7.341 -27.218 -7.093 1.00 62.35 H new ATOM 0 HA TYR A 78 5.139 -27.810 -5.293 1.00 72.42 H new ATOM 0 HB2 TYR A 78 6.289 -25.561 -5.515 1.00 12.14 H new ATOM 0 HB3 TYR A 78 5.616 -25.432 -7.128 1.00 12.14 H new ATOM 0 HD1 TYR A 78 4.003 -26.740 -4.010 1.00 30.23 H new ATOM 0 HD2 TYR A 78 4.048 -23.682 -6.978 1.00 70.41 H new ATOM 0 HE1 TYR A 78 1.937 -25.801 -3.072 1.00 24.52 H new ATOM 0 HE2 TYR A 78 1.984 -22.738 -6.038 1.00 34.34 H new ATOM 0 HH TYR A 78 0.664 -22.718 -4.123 1.00 72.23 H new ATOM 1163 N TRP A 79 4.875 -28.024 -8.526 1.00 73.24 N ATOM 1164 CA TRP A 79 4.002 -28.440 -9.618 1.00 62.55 C ATOM 1165 C TRP A 79 3.734 -29.941 -9.562 1.00 11.32 C ATOM 1166 O TRP A 79 2.725 -30.421 -10.077 1.00 34.45 O ATOM 1167 CB TRP A 79 4.626 -28.072 -10.966 1.00 35.20 C ATOM 1168 CG TRP A 79 4.765 -26.594 -11.171 1.00 34.11 C ATOM 1169 CD1 TRP A 79 5.894 -25.920 -11.541 1.00 52.43 C ATOM 1170 CD2 TRP A 79 3.739 -25.606 -11.017 1.00 52.00 C ATOM 1171 NE1 TRP A 79 5.632 -24.574 -11.625 1.00 13.12 N ATOM 1172 CE2 TRP A 79 4.317 -24.356 -11.310 1.00 75.53 C ATOM 1173 CE3 TRP A 79 2.388 -25.657 -10.662 1.00 50.52 C ATOM 1174 CZ2 TRP A 79 3.590 -23.170 -11.256 1.00 52.21 C ATOM 1175 CZ3 TRP A 79 1.669 -24.480 -10.609 1.00 34.34 C ATOM 1176 CH2 TRP A 79 2.270 -23.249 -10.906 1.00 2.41 C ATOM 0 H TRP A 79 5.854 -27.912 -8.788 1.00 73.24 H new ATOM 0 HA TRP A 79 3.052 -27.916 -9.509 1.00 62.55 H new ATOM 0 HB2 TRP A 79 5.609 -28.536 -11.042 1.00 35.20 H new ATOM 0 HB3 TRP A 79 4.014 -28.487 -11.767 1.00 35.20 H new ATOM 0 HD1 TRP A 79 6.852 -26.378 -11.739 1.00 52.43 H new ATOM 0 HE1 TRP A 79 6.307 -23.854 -11.881 1.00 13.12 H new ATOM 0 HE3 TRP A 79 1.915 -26.601 -10.433 1.00 50.52 H new ATOM 0 HZ2 TRP A 79 4.052 -22.221 -11.483 1.00 52.21 H new ATOM 0 HZ3 TRP A 79 0.625 -24.508 -10.334 1.00 34.34 H new ATOM 0 HH2 TRP A 79 1.680 -22.346 -10.858 1.00 2.41 H new ATOM 1187 N LYS A 80 4.645 -30.676 -8.932 1.00 14.35 N ATOM 1188 CA LYS A 80 4.507 -32.121 -8.806 1.00 74.13 C ATOM 1189 C LYS A 80 3.546 -32.481 -7.677 1.00 72.35 C ATOM 1190 O LYS A 80 3.004 -33.584 -7.638 1.00 42.42 O ATOM 1191 CB LYS A 80 5.873 -32.764 -8.550 1.00 2.35 C ATOM 1192 CG LYS A 80 6.359 -32.611 -7.120 1.00 11.13 C ATOM 1193 CD LYS A 80 6.255 -33.920 -6.353 1.00 4.54 C ATOM 1194 CE LYS A 80 7.569 -34.686 -6.378 1.00 14.23 C ATOM 1195 NZ LYS A 80 7.398 -36.095 -5.928 1.00 15.12 N1+ ATOM 0 H LYS A 80 5.487 -30.294 -8.501 1.00 14.35 H new ATOM 0 HA LYS A 80 4.100 -32.504 -9.742 1.00 74.13 H new ATOM 0 HB2 LYS A 80 5.817 -33.825 -8.794 1.00 2.35 H new ATOM 0 HB3 LYS A 80 6.606 -32.320 -9.223 1.00 2.35 H new ATOM 0 HG2 LYS A 80 7.394 -32.270 -7.121 1.00 11.13 H new ATOM 0 HG3 LYS A 80 5.771 -31.844 -6.615 1.00 11.13 H new ATOM 0 HD2 LYS A 80 5.971 -33.716 -5.321 1.00 4.54 H new ATOM 0 HD3 LYS A 80 5.466 -34.535 -6.786 1.00 4.54 H new ATOM 0 HE2 LYS A 80 7.977 -34.675 -7.389 1.00 14.23 H new ATOM 0 HE3 LYS A 80 8.294 -34.185 -5.736 1.00 14.23 H new ATOM 0 HZ1 LYS A 80 8.316 -36.583 -5.959 1.00 15.12 H new ATOM 0 HZ2 LYS A 80 7.033 -36.107 -4.954 1.00 15.12 H new ATOM 0 HZ3 LYS A 80 6.726 -36.581 -6.556 1.00 15.12 H new ATOM 1209 N ALA A 81 3.337 -31.539 -6.762 1.00 25.24 N ATOM 1210 CA ALA A 81 2.438 -31.755 -5.635 1.00 60.14 C ATOM 1211 C ALA A 81 0.998 -31.922 -6.106 1.00 25.04 C ATOM 1212 O ALA A 81 0.236 -32.708 -5.542 1.00 75.40 O ATOM 1213 CB ALA A 81 2.543 -30.602 -4.649 1.00 62.23 C ATOM 0 H ALA A 81 3.778 -30.619 -6.780 1.00 25.24 H new ATOM 0 HA ALA A 81 2.737 -32.676 -5.134 1.00 60.14 H new ATOM 0 HB1 ALA A 81 1.866 -30.776 -3.812 1.00 62.23 H new ATOM 0 HB2 ALA A 81 3.566 -30.531 -4.280 1.00 62.23 H new ATOM 0 HB3 ALA A 81 2.272 -29.671 -5.147 1.00 62.23 H new ATOM 1219 N LEU A 82 0.630 -31.179 -7.144 1.00 43.21 N ATOM 1220 CA LEU A 82 -0.721 -31.244 -7.691 1.00 42.14 C ATOM 1221 C LEU A 82 -0.726 -31.948 -9.044 1.00 63.11 C ATOM 1222 O LEU A 82 -1.751 -32.471 -9.479 1.00 71.54 O ATOM 1223 CB LEU A 82 -1.304 -29.836 -7.832 1.00 1.31 C ATOM 1224 CG LEU A 82 -0.296 -28.687 -7.804 1.00 42.43 C ATOM 1225 CD1 LEU A 82 0.615 -28.745 -9.020 1.00 30.23 C ATOM 1226 CD2 LEU A 82 -1.016 -27.348 -7.738 1.00 52.23 C ATOM 0 H LEU A 82 1.248 -30.525 -7.624 1.00 43.21 H new ATOM 0 HA LEU A 82 -1.339 -31.818 -7.001 1.00 42.14 H new ATOM 0 HB2 LEU A 82 -1.857 -29.785 -8.770 1.00 1.31 H new ATOM 0 HB3 LEU A 82 -2.024 -29.681 -7.029 1.00 1.31 H new ATOM 0 HG LEU A 82 0.319 -28.791 -6.910 1.00 42.43 H new ATOM 0 HD11 LEU A 82 1.325 -27.919 -8.982 1.00 30.23 H new ATOM 0 HD12 LEU A 82 1.157 -29.690 -9.023 1.00 30.23 H new ATOM 0 HD13 LEU A 82 0.016 -28.667 -9.927 1.00 30.23 H new ATOM 0 HD21 LEU A 82 -0.283 -26.541 -7.719 1.00 52.23 H new ATOM 0 HD22 LEU A 82 -1.656 -27.236 -8.613 1.00 52.23 H new ATOM 0 HD23 LEU A 82 -1.625 -27.306 -6.835 1.00 52.23 H new ATOM 1238 N GLY A 83 0.426 -31.957 -9.706 1.00 74.15 N ATOM 1239 CA GLY A 83 0.533 -32.601 -11.002 1.00 24.44 C ATOM 1240 C GLY A 83 0.261 -31.646 -12.147 1.00 53.33 C ATOM 1241 O GLY A 83 -0.489 -31.970 -13.069 1.00 44.53 O ATOM 0 H GLY A 83 1.288 -31.529 -9.368 1.00 74.15 H new ATOM 0 HA2 GLY A 83 1.532 -33.022 -11.114 1.00 24.44 H new ATOM 0 HA3 GLY A 83 -0.171 -33.432 -11.051 1.00 24.44 H new ATOM 1245 N ILE A 84 0.869 -30.466 -12.090 1.00 11.52 N ATOM 1246 CA ILE A 84 0.687 -29.462 -13.131 1.00 73.53 C ATOM 1247 C ILE A 84 1.710 -29.636 -14.247 1.00 73.31 C ATOM 1248 O ILE A 84 2.876 -29.939 -13.993 1.00 12.13 O ATOM 1249 CB ILE A 84 0.802 -28.035 -12.562 1.00 20.52 C ATOM 1250 CG1 ILE A 84 -0.589 -27.445 -12.322 1.00 42.11 C ATOM 1251 CG2 ILE A 84 1.603 -27.151 -13.507 1.00 54.52 C ATOM 1252 CD1 ILE A 84 -1.511 -28.363 -11.552 1.00 31.45 C ATOM 0 H ILE A 84 1.492 -30.182 -11.334 1.00 11.52 H new ATOM 0 HA ILE A 84 -0.315 -29.604 -13.535 1.00 73.53 H new ATOM 0 HB ILE A 84 1.326 -28.081 -11.607 1.00 20.52 H new ATOM 0 HG12 ILE A 84 -0.487 -26.506 -11.778 1.00 42.11 H new ATOM 0 HG13 ILE A 84 -1.045 -27.209 -13.283 1.00 42.11 H new ATOM 0 HG21 ILE A 84 1.676 -26.146 -13.091 1.00 54.52 H new ATOM 0 HG22 ILE A 84 2.604 -27.565 -13.632 1.00 54.52 H new ATOM 0 HG23 ILE A 84 1.104 -27.108 -14.475 1.00 54.52 H new ATOM 0 HD11 ILE A 84 -2.479 -27.879 -11.419 1.00 31.45 H new ATOM 0 HD12 ILE A 84 -1.643 -29.293 -12.105 1.00 31.45 H new ATOM 0 HD13 ILE A 84 -1.077 -28.580 -10.576 1.00 31.45 H new ATOM 1264 N SER A 85 1.267 -29.440 -15.485 1.00 52.21 N ATOM 1265 CA SER A 85 2.144 -29.577 -16.642 1.00 24.12 C ATOM 1266 C SER A 85 3.397 -28.722 -16.479 1.00 3.33 C ATOM 1267 O SER A 85 3.352 -27.493 -16.535 1.00 53.24 O ATOM 1268 CB SER A 85 1.404 -29.178 -17.919 1.00 54.52 C ATOM 1269 OG SER A 85 2.030 -29.729 -19.065 1.00 23.32 O ATOM 0 H SER A 85 0.306 -29.186 -15.712 1.00 52.21 H new ATOM 0 HA SER A 85 2.445 -30.622 -16.716 1.00 24.12 H new ATOM 0 HB2 SER A 85 0.370 -29.520 -17.866 1.00 54.52 H new ATOM 0 HB3 SER A 85 1.377 -28.092 -18.003 1.00 54.52 H new ATOM 0 HG SER A 85 1.537 -29.461 -19.868 1.00 23.32 H new ATOM 1275 N PRO A 86 4.543 -29.386 -16.271 1.00 42.12 N ATOM 1276 CA PRO A 86 5.831 -28.708 -16.095 1.00 71.24 C ATOM 1277 C PRO A 86 6.326 -28.061 -17.384 1.00 40.35 C ATOM 1278 O PRO A 86 6.744 -28.749 -18.314 1.00 12.43 O ATOM 1279 CB PRO A 86 6.772 -29.838 -15.668 1.00 45.12 C ATOM 1280 CG PRO A 86 6.157 -31.073 -16.228 1.00 24.31 C ATOM 1281 CD PRO A 86 4.670 -30.851 -16.192 1.00 65.12 C ATOM 0 HA PRO A 86 5.767 -27.893 -15.374 1.00 71.24 H new ATOM 0 HB2 PRO A 86 7.778 -29.684 -16.058 1.00 45.12 H new ATOM 0 HB3 PRO A 86 6.856 -29.894 -14.583 1.00 45.12 H new ATOM 0 HG2 PRO A 86 6.500 -31.252 -17.247 1.00 24.31 H new ATOM 0 HG3 PRO A 86 6.435 -31.948 -15.640 1.00 24.31 H new ATOM 0 HD2 PRO A 86 4.170 -31.343 -17.026 1.00 65.12 H new ATOM 0 HD3 PRO A 86 4.227 -31.244 -15.277 1.00 65.12 H new ATOM 1289 N MET A 87 6.275 -26.733 -17.431 1.00 43.33 N ATOM 1290 CA MET A 87 6.720 -25.994 -18.607 1.00 1.42 C ATOM 1291 C MET A 87 8.148 -25.490 -18.423 1.00 55.04 C ATOM 1292 O MET A 87 8.892 -25.337 -19.394 1.00 10.13 O ATOM 1293 CB MET A 87 5.783 -24.817 -18.881 1.00 20.04 C ATOM 1294 CG MET A 87 4.405 -25.236 -19.367 1.00 72.24 C ATOM 1295 SD MET A 87 4.354 -25.523 -21.146 1.00 22.31 S ATOM 1296 CE MET A 87 2.587 -25.537 -21.437 1.00 35.42 C ATOM 0 H MET A 87 5.931 -26.148 -16.670 1.00 43.33 H new ATOM 0 HA MET A 87 6.699 -26.671 -19.461 1.00 1.42 H new ATOM 0 HB2 MET A 87 5.674 -24.230 -17.969 1.00 20.04 H new ATOM 0 HB3 MET A 87 6.240 -24.166 -19.627 1.00 20.04 H new ATOM 0 HG2 MET A 87 4.102 -26.145 -18.847 1.00 72.24 H new ATOM 0 HG3 MET A 87 3.682 -24.463 -19.107 1.00 72.24 H new ATOM 0 HE1 MET A 87 2.394 -25.705 -22.497 1.00 35.42 H new ATOM 0 HE2 MET A 87 2.129 -26.336 -20.854 1.00 35.42 H new ATOM 0 HE3 MET A 87 2.161 -24.579 -21.138 1.00 35.42 H new ATOM 1306 N HIS A 88 8.525 -25.234 -17.175 1.00 0.52 N ATOM 1307 CA HIS A 88 9.865 -24.747 -16.865 1.00 51.21 C ATOM 1308 C HIS A 88 10.470 -25.527 -15.702 1.00 23.12 C ATOM 1309 O HIS A 88 9.810 -25.759 -14.690 1.00 50.35 O ATOM 1310 CB HIS A 88 9.824 -23.257 -16.529 1.00 24.12 C ATOM 1311 CG HIS A 88 10.010 -22.369 -17.722 1.00 62.11 C ATOM 1312 ND1 HIS A 88 11.154 -22.373 -18.492 1.00 74.54 N ATOM 1313 CD2 HIS A 88 9.189 -21.446 -18.275 1.00 20.22 C ATOM 1314 CE1 HIS A 88 11.029 -21.491 -19.467 1.00 21.10 C ATOM 1315 NE2 HIS A 88 9.846 -20.914 -19.358 1.00 3.14 N ATOM 0 H HIS A 88 7.922 -25.355 -16.361 1.00 0.52 H new ATOM 0 HA HIS A 88 10.492 -24.896 -17.744 1.00 51.21 H new ATOM 0 HB2 HIS A 88 8.868 -23.025 -16.059 1.00 24.12 H new ATOM 0 HB3 HIS A 88 10.601 -23.036 -15.797 1.00 24.12 H new ATOM 0 HD2 HIS A 88 8.202 -21.178 -17.929 1.00 20.22 H new ATOM 0 HE1 HIS A 88 11.768 -21.278 -20.225 1.00 21.10 H new ATOM 0 HE2 HIS A 88 9.480 -20.191 -19.977 1.00 3.14 H new ATOM 1323 N GLU A 89 11.729 -25.928 -15.855 1.00 53.32 N ATOM 1324 CA GLU A 89 12.421 -26.682 -14.816 1.00 13.34 C ATOM 1325 C GLU A 89 12.516 -25.871 -13.527 1.00 2.34 C ATOM 1326 O GLU A 89 11.968 -26.260 -12.494 1.00 33.31 O ATOM 1327 CB GLU A 89 13.822 -27.075 -15.289 1.00 13.54 C ATOM 1328 CG GLU A 89 13.821 -28.142 -16.372 1.00 22.51 C ATOM 1329 CD GLU A 89 13.254 -29.463 -15.889 1.00 44.10 C ATOM 1330 OE1 GLU A 89 13.782 -30.009 -14.898 1.00 63.34 O ATOM 1331 OE2 GLU A 89 12.282 -29.950 -16.503 1.00 31.10 O1- ATOM 0 H GLU A 89 12.289 -25.743 -16.687 1.00 53.32 H new ATOM 0 HA GLU A 89 11.846 -27.586 -14.614 1.00 13.34 H new ATOM 0 HB2 GLU A 89 14.332 -26.188 -15.665 1.00 13.54 H new ATOM 0 HB3 GLU A 89 14.397 -27.435 -14.436 1.00 13.54 H new ATOM 0 HG2 GLU A 89 13.238 -27.790 -17.223 1.00 22.51 H new ATOM 0 HG3 GLU A 89 14.840 -28.296 -16.726 1.00 22.51 H new ATOM 1338 N HIS A 90 13.216 -24.743 -13.595 1.00 12.33 N ATOM 1339 CA HIS A 90 13.383 -23.877 -12.433 1.00 64.04 C ATOM 1340 C HIS A 90 13.536 -22.420 -12.860 1.00 64.34 C ATOM 1341 O HIS A 90 13.717 -22.124 -14.040 1.00 61.10 O ATOM 1342 CB HIS A 90 14.602 -24.312 -11.618 1.00 14.33 C ATOM 1343 CG HIS A 90 15.819 -24.569 -12.451 1.00 22.52 C ATOM 1344 ND1 HIS A 90 16.420 -25.807 -12.543 1.00 21.34 N ATOM 1345 CD2 HIS A 90 16.546 -23.741 -13.237 1.00 24.13 C ATOM 1346 CE1 HIS A 90 17.466 -25.728 -13.345 1.00 42.11 C ATOM 1347 NE2 HIS A 90 17.565 -24.485 -13.780 1.00 64.31 N ATOM 0 H HIS A 90 13.676 -24.408 -14.441 1.00 12.33 H new ATOM 0 HA HIS A 90 12.491 -23.965 -11.813 1.00 64.04 H new ATOM 0 HB2 HIS A 90 14.831 -23.540 -10.883 1.00 14.33 H new ATOM 0 HB3 HIS A 90 14.354 -25.217 -11.063 1.00 14.33 H new ATOM 0 HD2 HIS A 90 16.360 -22.691 -13.406 1.00 24.13 H new ATOM 0 HE1 HIS A 90 18.128 -26.542 -13.602 1.00 42.11 H new ATOM 0 HE2 HIS A 90 18.282 -24.134 -14.416 1.00 64.31 H new ATOM 1355 N ALA A 91 13.460 -21.514 -11.890 1.00 30.43 N ATOM 1356 CA ALA A 91 13.591 -20.088 -12.165 1.00 4.31 C ATOM 1357 C ALA A 91 14.843 -19.515 -11.511 1.00 13.54 C ATOM 1358 O ALA A 91 14.979 -19.532 -10.288 1.00 55.12 O ATOM 1359 CB ALA A 91 12.355 -19.342 -11.685 1.00 53.12 C ATOM 0 H ALA A 91 13.308 -21.742 -10.907 1.00 30.43 H new ATOM 0 HA ALA A 91 13.684 -19.959 -13.243 1.00 4.31 H new ATOM 0 HB1 ALA A 91 12.467 -18.279 -11.897 1.00 53.12 H new ATOM 0 HB2 ALA A 91 11.475 -19.725 -12.202 1.00 53.12 H new ATOM 0 HB3 ALA A 91 12.236 -19.488 -10.611 1.00 53.12 H new ATOM 1365 N GLU A 92 15.757 -19.009 -12.334 1.00 71.53 N ATOM 1366 CA GLU A 92 16.999 -18.432 -11.834 1.00 22.11 C ATOM 1367 C GLU A 92 17.041 -16.928 -12.087 1.00 21.04 C ATOM 1368 O GLU A 92 16.752 -16.464 -13.189 1.00 35.42 O ATOM 1369 CB GLU A 92 18.202 -19.106 -12.497 1.00 20.12 C ATOM 1370 CG GLU A 92 18.102 -20.621 -12.545 1.00 3.34 C ATOM 1371 CD GLU A 92 19.295 -21.263 -13.226 1.00 5.13 C ATOM 1372 OE1 GLU A 92 20.440 -20.887 -12.896 1.00 51.43 O ATOM 1373 OE2 GLU A 92 19.085 -22.141 -14.089 1.00 1.44 O1- ATOM 0 H GLU A 92 15.660 -18.987 -13.349 1.00 71.53 H new ATOM 0 HA GLU A 92 17.043 -18.603 -10.758 1.00 22.11 H new ATOM 0 HB2 GLU A 92 18.307 -18.725 -13.513 1.00 20.12 H new ATOM 0 HB3 GLU A 92 19.107 -18.827 -11.957 1.00 20.12 H new ATOM 0 HG2 GLU A 92 18.016 -21.008 -11.530 1.00 3.34 H new ATOM 0 HG3 GLU A 92 17.191 -20.905 -13.072 1.00 3.34 H new ATOM 1380 N VAL A 93 17.402 -16.171 -11.055 1.00 13.33 N ATOM 1381 CA VAL A 93 17.482 -14.719 -11.163 1.00 70.50 C ATOM 1382 C VAL A 93 18.749 -14.188 -10.501 1.00 3.53 C ATOM 1383 O VAL A 93 19.174 -14.687 -9.460 1.00 12.13 O ATOM 1384 CB VAL A 93 16.258 -14.039 -10.524 1.00 51.30 C ATOM 1385 CG1 VAL A 93 16.346 -12.529 -10.674 1.00 23.41 C ATOM 1386 CG2 VAL A 93 14.972 -14.570 -11.138 1.00 45.53 C ATOM 0 H VAL A 93 17.644 -16.539 -10.135 1.00 13.33 H new ATOM 0 HA VAL A 93 17.504 -14.482 -12.227 1.00 70.50 H new ATOM 0 HB VAL A 93 16.249 -14.274 -9.460 1.00 51.30 H new ATOM 0 HG11 VAL A 93 15.472 -12.066 -10.216 1.00 23.41 H new ATOM 0 HG12 VAL A 93 17.248 -12.166 -10.182 1.00 23.41 H new ATOM 0 HG13 VAL A 93 16.381 -12.270 -11.732 1.00 23.41 H new ATOM 0 HG21 VAL A 93 14.117 -14.078 -10.674 1.00 45.53 H new ATOM 0 HG22 VAL A 93 14.970 -14.368 -12.209 1.00 45.53 H new ATOM 0 HG23 VAL A 93 14.906 -15.645 -10.971 1.00 45.53 H new ATOM 1396 N VAL A 94 19.348 -13.171 -11.112 1.00 2.22 N ATOM 1397 CA VAL A 94 20.566 -12.570 -10.582 1.00 2.02 C ATOM 1398 C VAL A 94 20.283 -11.198 -9.979 1.00 12.31 C ATOM 1399 O VAL A 94 19.574 -10.383 -10.569 1.00 50.11 O ATOM 1400 CB VAL A 94 21.643 -12.427 -11.673 1.00 14.01 C ATOM 1401 CG1 VAL A 94 22.902 -11.794 -11.101 1.00 20.21 C ATOM 1402 CG2 VAL A 94 21.953 -13.782 -12.295 1.00 30.43 C ATOM 0 H VAL A 94 19.009 -12.746 -11.975 1.00 2.22 H new ATOM 0 HA VAL A 94 20.936 -13.237 -9.804 1.00 2.02 H new ATOM 0 HB VAL A 94 21.259 -11.772 -12.455 1.00 14.01 H new ATOM 0 HG11 VAL A 94 23.652 -11.701 -11.887 1.00 20.21 H new ATOM 0 HG12 VAL A 94 22.665 -10.806 -10.706 1.00 20.21 H new ATOM 0 HG13 VAL A 94 23.292 -12.421 -10.299 1.00 20.21 H new ATOM 0 HG21 VAL A 94 22.716 -13.663 -13.064 1.00 30.43 H new ATOM 0 HG22 VAL A 94 22.317 -14.461 -11.524 1.00 30.43 H new ATOM 0 HG23 VAL A 94 21.048 -14.193 -12.742 1.00 30.43 H new ATOM 1412 N PHE A 95 20.844 -10.949 -8.800 1.00 1.21 N ATOM 1413 CA PHE A 95 20.653 -9.676 -8.117 1.00 71.43 C ATOM 1414 C PHE A 95 21.995 -9.041 -7.764 1.00 71.25 C ATOM 1415 O PHE A 95 22.766 -9.589 -6.974 1.00 40.21 O ATOM 1416 CB PHE A 95 19.819 -9.873 -6.849 1.00 71.11 C ATOM 1417 CG PHE A 95 18.578 -10.689 -7.068 1.00 42.22 C ATOM 1418 CD1 PHE A 95 18.629 -12.074 -7.034 1.00 51.32 C ATOM 1419 CD2 PHE A 95 17.361 -10.072 -7.310 1.00 41.22 C ATOM 1420 CE1 PHE A 95 17.488 -12.828 -7.235 1.00 43.10 C ATOM 1421 CE2 PHE A 95 16.218 -10.821 -7.511 1.00 42.40 C ATOM 1422 CZ PHE A 95 16.282 -12.201 -7.475 1.00 23.11 C ATOM 0 H PHE A 95 21.434 -11.612 -8.298 1.00 1.21 H new ATOM 0 HA PHE A 95 20.121 -9.006 -8.793 1.00 71.43 H new ATOM 0 HB2 PHE A 95 20.434 -10.358 -6.091 1.00 71.11 H new ATOM 0 HB3 PHE A 95 19.537 -8.897 -6.454 1.00 71.11 H new ATOM 0 HD1 PHE A 95 19.571 -12.569 -6.848 1.00 51.32 H new ATOM 0 HD2 PHE A 95 17.306 -8.994 -7.342 1.00 41.22 H new ATOM 0 HE1 PHE A 95 17.540 -13.906 -7.204 1.00 43.10 H new ATOM 0 HE2 PHE A 95 15.275 -10.328 -7.696 1.00 42.40 H new ATOM 0 HZ PHE A 95 15.390 -12.788 -7.634 1.00 23.11 H new ATOM 1432 N THR A 96 22.269 -7.882 -8.353 1.00 53.44 N ATOM 1433 CA THR A 96 23.517 -7.173 -8.103 1.00 53.12 C ATOM 1434 C THR A 96 23.355 -6.152 -6.983 1.00 30.54 C ATOM 1435 O THR A 96 22.394 -5.384 -6.964 1.00 64.13 O ATOM 1436 CB THR A 96 24.018 -6.452 -9.370 1.00 32.55 C ATOM 1437 OG1 THR A 96 24.156 -7.389 -10.444 1.00 35.50 O ATOM 1438 CG2 THR A 96 25.351 -5.769 -9.111 1.00 22.52 C ATOM 0 H THR A 96 21.642 -7.414 -9.008 1.00 53.44 H new ATOM 0 HA THR A 96 24.251 -7.922 -7.805 1.00 53.12 H new ATOM 0 HB THR A 96 23.286 -5.692 -9.644 1.00 32.55 H new ATOM 0 HG1 THR A 96 24.473 -6.923 -11.246 1.00 35.50 H new ATOM 0 HG21 THR A 96 25.685 -5.267 -10.019 1.00 22.52 H new ATOM 0 HG22 THR A 96 25.235 -5.036 -8.313 1.00 22.52 H new ATOM 0 HG23 THR A 96 26.090 -6.514 -8.815 1.00 22.52 H new ATOM 1446 N ALA A 97 24.301 -6.149 -6.050 1.00 62.01 N ATOM 1447 CA ALA A 97 24.264 -5.221 -4.927 1.00 43.35 C ATOM 1448 C ALA A 97 25.494 -4.318 -4.920 1.00 12.42 C ATOM 1449 O ALA A 97 26.603 -4.763 -5.215 1.00 52.21 O ATOM 1450 CB ALA A 97 24.160 -5.983 -3.614 1.00 10.43 C ATOM 0 H ALA A 97 25.103 -6.779 -6.050 1.00 62.01 H new ATOM 0 HA ALA A 97 23.382 -4.590 -5.039 1.00 43.35 H new ATOM 0 HB1 ALA A 97 24.133 -5.276 -2.784 1.00 10.43 H new ATOM 0 HB2 ALA A 97 23.248 -6.580 -3.611 1.00 10.43 H new ATOM 0 HB3 ALA A 97 25.024 -6.639 -3.504 1.00 10.43 H new ATOM 1456 N ASN A 98 25.289 -3.049 -4.582 1.00 22.42 N ATOM 1457 CA ASN A 98 26.382 -2.084 -4.538 1.00 70.24 C ATOM 1458 C ASN A 98 26.375 -1.314 -3.221 1.00 0.21 C ATOM 1459 O ASN A 98 27.392 -1.235 -2.532 1.00 44.32 O ATOM 1460 CB ASN A 98 26.275 -1.108 -5.712 1.00 53.32 C ATOM 1461 CG ASN A 98 24.846 -0.672 -5.973 1.00 65.42 C ATOM 1462 OD1 ASN A 98 24.342 0.254 -5.338 1.00 61.01 O ATOM 1463 ND2 ASN A 98 24.186 -1.339 -6.913 1.00 50.32 N ATOM 0 H ASN A 98 24.377 -2.665 -4.335 1.00 22.42 H new ATOM 0 HA ASN A 98 27.321 -2.632 -4.613 1.00 70.24 H new ATOM 0 HB2 ASN A 98 26.888 -0.230 -5.508 1.00 53.32 H new ATOM 0 HB3 ASN A 98 26.678 -1.577 -6.609 1.00 53.32 H new ATOM 0 HD21 ASN A 98 23.222 -1.090 -7.133 1.00 50.32 H new ATOM 0 HD22 ASN A 98 24.643 -2.100 -7.415 1.00 50.32 H new ATOM 1470 N ASP A 99 25.222 -0.751 -2.878 1.00 15.12 N ATOM 1471 CA ASP A 99 25.082 0.011 -1.642 1.00 4.24 C ATOM 1472 C ASP A 99 24.222 -0.744 -0.632 1.00 73.21 C ATOM 1473 O ASP A 99 23.004 -0.839 -0.787 1.00 53.11 O ATOM 1474 CB ASP A 99 24.467 1.382 -1.929 1.00 62.12 C ATOM 1475 CG ASP A 99 25.415 2.294 -2.683 1.00 13.14 C ATOM 1476 OD1 ASP A 99 26.632 2.245 -2.406 1.00 52.50 O1- ATOM 1477 OD2 ASP A 99 24.940 3.059 -3.549 1.00 55.13 O ATOM 0 H ASP A 99 24.371 -0.808 -3.438 1.00 15.12 H new ATOM 0 HA ASP A 99 26.076 0.149 -1.216 1.00 4.24 H new ATOM 0 HB2 ASP A 99 23.553 1.253 -2.509 1.00 62.12 H new ATOM 0 HB3 ASP A 99 24.184 1.854 -0.988 1.00 62.12 H new ATOM 1482 N SER A 100 24.864 -1.280 0.401 1.00 64.11 N ATOM 1483 CA SER A 100 24.159 -2.031 1.433 1.00 51.44 C ATOM 1484 C SER A 100 23.923 -1.167 2.668 1.00 2.13 C ATOM 1485 O SER A 100 24.394 -0.032 2.745 1.00 24.13 O ATOM 1486 CB SER A 100 24.953 -3.281 1.815 1.00 72.33 C ATOM 1487 OG SER A 100 24.180 -4.146 2.629 1.00 61.25 O ATOM 0 H SER A 100 25.871 -1.208 0.545 1.00 64.11 H new ATOM 0 HA SER A 100 23.191 -2.332 1.032 1.00 51.44 H new ATOM 0 HB2 SER A 100 25.265 -3.807 0.913 1.00 72.33 H new ATOM 0 HB3 SER A 100 25.860 -2.992 2.345 1.00 72.33 H new ATOM 0 HG SER A 100 24.709 -4.939 2.859 1.00 61.25 H new ATOM 1493 N GLY A 101 23.190 -1.712 3.633 1.00 42.21 N ATOM 1494 CA GLY A 101 22.903 -0.978 4.852 1.00 53.22 C ATOM 1495 C GLY A 101 21.719 -1.548 5.607 1.00 10.13 C ATOM 1496 O GLY A 101 21.092 -2.518 5.181 1.00 41.01 O ATOM 0 H GLY A 101 22.789 -2.649 3.593 1.00 42.21 H new ATOM 0 HA2 GLY A 101 23.782 -0.992 5.496 1.00 53.22 H new ATOM 0 HA3 GLY A 101 22.705 0.065 4.606 1.00 53.22 H new ATOM 1500 N PRO A 102 21.396 -0.937 6.757 1.00 72.31 N ATOM 1501 CA PRO A 102 20.276 -1.373 7.597 1.00 62.41 C ATOM 1502 C PRO A 102 18.923 -1.090 6.952 1.00 55.41 C ATOM 1503 O PRO A 102 18.402 0.022 7.044 1.00 30.03 O ATOM 1504 CB PRO A 102 20.445 -0.544 8.872 1.00 3.05 C ATOM 1505 CG PRO A 102 21.189 0.672 8.437 1.00 21.03 C ATOM 1506 CD PRO A 102 22.098 0.225 7.325 1.00 22.35 C ATOM 0 HA PRO A 102 20.289 -2.449 7.768 1.00 62.41 H new ATOM 0 HB2 PRO A 102 19.480 -0.283 9.306 1.00 3.05 H new ATOM 0 HB3 PRO A 102 20.998 -1.095 9.633 1.00 3.05 H new ATOM 0 HG2 PRO A 102 20.504 1.447 8.093 1.00 21.03 H new ATOM 0 HG3 PRO A 102 21.761 1.096 9.262 1.00 21.03 H new ATOM 0 HD2 PRO A 102 22.241 1.010 6.583 1.00 22.35 H new ATOM 0 HD3 PRO A 102 23.086 -0.045 7.698 1.00 22.35 H new ATOM 1514 N ARG A 103 18.359 -2.102 6.302 1.00 52.42 N ATOM 1515 CA ARG A 103 17.067 -1.962 5.642 1.00 64.24 C ATOM 1516 C ARG A 103 16.446 -3.327 5.363 1.00 1.20 C ATOM 1517 O ARG A 103 17.156 -4.322 5.211 1.00 43.01 O ATOM 1518 CB ARG A 103 17.220 -1.182 4.335 1.00 21.14 C ATOM 1519 CG ARG A 103 15.961 -0.441 3.916 1.00 71.15 C ATOM 1520 CD ARG A 103 15.703 0.766 4.804 1.00 40.02 C ATOM 1521 NE ARG A 103 14.818 1.736 4.166 1.00 23.44 N ATOM 1522 CZ ARG A 103 13.509 1.558 4.029 1.00 72.30 C ATOM 1523 NH1 ARG A 103 12.935 0.452 4.484 1.00 12.31 N1+ ATOM 1524 NH2 ARG A 103 12.770 2.487 3.437 1.00 23.55 N ATOM 0 H ARG A 103 18.777 -3.029 6.218 1.00 52.42 H new ATOM 0 HA ARG A 103 16.405 -1.412 6.310 1.00 64.24 H new ATOM 0 HB2 ARG A 103 18.034 -0.465 4.443 1.00 21.14 H new ATOM 0 HB3 ARG A 103 17.506 -1.872 3.541 1.00 21.14 H new ATOM 0 HG2 ARG A 103 16.056 -0.118 2.879 1.00 71.15 H new ATOM 0 HG3 ARG A 103 15.107 -1.117 3.962 1.00 71.15 H new ATOM 0 HD2 ARG A 103 15.261 0.436 5.744 1.00 40.02 H new ATOM 0 HD3 ARG A 103 16.651 1.246 5.048 1.00 40.02 H new ATOM 0 HE ARG A 103 15.227 2.598 3.806 1.00 23.44 H new ATOM 0 HH11 ARG A 103 13.499 -0.265 4.941 1.00 12.31 H new ATOM 0 HH12 ARG A 103 11.929 0.318 4.377 1.00 12.31 H new ATOM 0 HH21 ARG A 103 13.207 3.339 3.086 1.00 23.55 H new ATOM 0 HH22 ARG A 103 11.765 2.349 3.332 1.00 23.55 H new ATOM 1538 N ARG A 104 15.120 -3.367 5.298 1.00 42.23 N ATOM 1539 CA ARG A 104 14.404 -4.611 5.039 1.00 3.34 C ATOM 1540 C ARG A 104 13.939 -4.679 3.587 1.00 11.24 C ATOM 1541 O ARG A 104 13.175 -3.829 3.130 1.00 3.33 O ATOM 1542 CB ARG A 104 13.203 -4.738 5.977 1.00 1.21 C ATOM 1543 CG ARG A 104 12.706 -6.165 6.142 1.00 52.32 C ATOM 1544 CD ARG A 104 11.237 -6.203 6.532 1.00 23.35 C ATOM 1545 NE ARG A 104 10.788 -7.557 6.844 1.00 23.43 N ATOM 1546 CZ ARG A 104 11.052 -8.172 7.990 1.00 61.22 C ATOM 1547 NH1 ARG A 104 11.758 -7.558 8.929 1.00 21.23 N1+ ATOM 1548 NH2 ARG A 104 10.608 -9.406 8.201 1.00 61.40 N ATOM 0 H ARG A 104 14.519 -2.552 5.421 1.00 42.23 H new ATOM 0 HA ARG A 104 15.088 -5.439 5.222 1.00 3.34 H new ATOM 0 HB2 ARG A 104 13.474 -4.341 6.956 1.00 1.21 H new ATOM 0 HB3 ARG A 104 12.389 -4.121 5.597 1.00 1.21 H new ATOM 0 HG2 ARG A 104 12.850 -6.711 5.210 1.00 52.32 H new ATOM 0 HG3 ARG A 104 13.299 -6.672 6.904 1.00 52.32 H new ATOM 0 HD2 ARG A 104 11.075 -5.559 7.396 1.00 23.35 H new ATOM 0 HD3 ARG A 104 10.635 -5.800 5.717 1.00 23.35 H new ATOM 0 HE ARG A 104 10.242 -8.057 6.143 1.00 23.43 H new ATOM 0 HH11 ARG A 104 12.100 -6.610 8.772 1.00 21.23 H new ATOM 0 HH12 ARG A 104 11.959 -8.034 9.809 1.00 21.23 H new ATOM 0 HH21 ARG A 104 10.063 -9.882 7.482 1.00 61.40 H new ATOM 0 HH22 ARG A 104 10.812 -9.878 9.082 1.00 61.40 H new ATOM 1562 N TYR A 105 14.407 -5.693 2.868 1.00 64.52 N ATOM 1563 CA TYR A 105 14.041 -5.870 1.468 1.00 43.23 C ATOM 1564 C TYR A 105 13.513 -7.278 1.217 1.00 12.34 C ATOM 1565 O TYR A 105 14.050 -8.259 1.734 1.00 73.32 O ATOM 1566 CB TYR A 105 15.246 -5.597 0.566 1.00 4.01 C ATOM 1567 CG TYR A 105 15.679 -4.148 0.555 1.00 12.10 C ATOM 1568 CD1 TYR A 105 14.755 -3.129 0.357 1.00 71.31 C ATOM 1569 CD2 TYR A 105 17.010 -3.798 0.743 1.00 32.04 C ATOM 1570 CE1 TYR A 105 15.145 -1.804 0.345 1.00 24.24 C ATOM 1571 CE2 TYR A 105 17.409 -2.476 0.734 1.00 72.42 C ATOM 1572 CZ TYR A 105 16.474 -1.482 0.535 1.00 22.41 C ATOM 1573 OH TYR A 105 16.866 -0.164 0.525 1.00 41.31 O ATOM 0 H TYR A 105 15.041 -6.405 3.232 1.00 64.52 H new ATOM 0 HA TYR A 105 13.250 -5.158 1.233 1.00 43.23 H new ATOM 0 HB2 TYR A 105 16.082 -6.215 0.894 1.00 4.01 H new ATOM 0 HB3 TYR A 105 15.004 -5.903 -0.452 1.00 4.01 H new ATOM 0 HD1 TYR A 105 13.714 -3.377 0.210 1.00 71.31 H new ATOM 0 HD2 TYR A 105 17.746 -4.573 0.899 1.00 32.04 H new ATOM 0 HE1 TYR A 105 14.414 -1.024 0.188 1.00 24.24 H new ATOM 0 HE2 TYR A 105 18.448 -2.222 0.882 1.00 72.42 H new ATOM 0 HH TYR A 105 17.716 -0.072 1.004 1.00 41.31 H new ATOM 1583 N THR A 106 12.454 -7.373 0.417 1.00 61.33 N ATOM 1584 CA THR A 106 11.852 -8.660 0.096 1.00 12.11 C ATOM 1585 C THR A 106 11.634 -8.806 -1.406 1.00 32.31 C ATOM 1586 O THR A 106 11.310 -7.837 -2.092 1.00 11.53 O ATOM 1587 CB THR A 106 10.503 -8.844 0.818 1.00 42.34 C ATOM 1588 OG1 THR A 106 10.701 -8.830 2.236 1.00 34.34 O ATOM 1589 CG2 THR A 106 9.843 -10.152 0.407 1.00 20.22 C ATOM 0 H THR A 106 11.996 -6.573 -0.020 1.00 61.33 H new ATOM 0 HA THR A 106 12.547 -9.428 0.436 1.00 12.11 H new ATOM 0 HB THR A 106 9.849 -8.020 0.534 1.00 42.34 H new ATOM 0 HG1 THR A 106 10.352 -9.660 2.623 1.00 34.34 H new ATOM 0 HG21 THR A 106 8.892 -10.260 0.929 1.00 20.22 H new ATOM 0 HG22 THR A 106 9.667 -10.149 -0.669 1.00 20.22 H new ATOM 0 HG23 THR A 106 10.496 -10.986 0.665 1.00 20.22 H new ATOM 1597 N ILE A 107 11.814 -10.023 -1.909 1.00 71.42 N ATOM 1598 CA ILE A 107 11.636 -10.295 -3.329 1.00 74.04 C ATOM 1599 C ILE A 107 10.364 -11.099 -3.580 1.00 33.14 C ATOM 1600 O ILE A 107 10.293 -12.284 -3.256 1.00 43.14 O ATOM 1601 CB ILE A 107 12.837 -11.064 -3.911 1.00 63.22 C ATOM 1602 CG1 ILE A 107 14.137 -10.307 -3.632 1.00 62.44 C ATOM 1603 CG2 ILE A 107 12.655 -11.281 -5.405 1.00 32.41 C ATOM 1604 CD1 ILE A 107 14.150 -8.902 -4.194 1.00 2.32 C ATOM 0 H ILE A 107 12.083 -10.835 -1.354 1.00 71.42 H new ATOM 0 HA ILE A 107 11.558 -9.328 -3.827 1.00 74.04 H new ATOM 0 HB ILE A 107 12.894 -12.039 -3.427 1.00 63.22 H new ATOM 0 HG12 ILE A 107 14.297 -10.260 -2.555 1.00 62.44 H new ATOM 0 HG13 ILE A 107 14.972 -10.866 -4.054 1.00 62.44 H new ATOM 0 HG21 ILE A 107 13.512 -11.826 -5.801 1.00 32.41 H new ATOM 0 HG22 ILE A 107 11.746 -11.857 -5.581 1.00 32.41 H new ATOM 0 HG23 ILE A 107 12.576 -10.316 -5.906 1.00 32.41 H new ATOM 0 HD11 ILE A 107 15.101 -8.425 -3.959 1.00 2.32 H new ATOM 0 HD12 ILE A 107 14.022 -8.942 -5.276 1.00 2.32 H new ATOM 0 HD13 ILE A 107 13.336 -8.326 -3.753 1.00 2.32 H new ATOM 1616 N ALA A 108 9.363 -10.446 -4.161 1.00 44.40 N ATOM 1617 CA ALA A 108 8.094 -11.100 -4.459 1.00 61.41 C ATOM 1618 C ALA A 108 8.089 -11.669 -5.874 1.00 62.14 C ATOM 1619 O ALA A 108 8.122 -10.923 -6.853 1.00 70.45 O ATOM 1620 CB ALA A 108 6.942 -10.125 -4.275 1.00 74.04 C ATOM 0 H ALA A 108 9.406 -9.464 -4.435 1.00 44.40 H new ATOM 0 HA ALA A 108 7.968 -11.929 -3.762 1.00 61.41 H new ATOM 0 HB1 ALA A 108 6.001 -10.627 -4.501 1.00 74.04 H new ATOM 0 HB2 ALA A 108 6.926 -9.771 -3.244 1.00 74.04 H new ATOM 0 HB3 ALA A 108 7.072 -9.277 -4.948 1.00 74.04 H new ATOM 1626 N ALA A 109 8.049 -12.993 -5.975 1.00 63.14 N ATOM 1627 CA ALA A 109 8.038 -13.660 -7.271 1.00 74.21 C ATOM 1628 C ALA A 109 6.793 -14.526 -7.432 1.00 35.54 C ATOM 1629 O ALA A 109 6.423 -15.271 -6.526 1.00 62.10 O ATOM 1630 CB ALA A 109 9.294 -14.501 -7.442 1.00 25.13 C ATOM 0 H ALA A 109 8.024 -13.625 -5.175 1.00 63.14 H new ATOM 0 HA ALA A 109 8.019 -12.894 -8.046 1.00 74.21 H new ATOM 0 HB1 ALA A 109 9.273 -14.993 -8.414 1.00 25.13 H new ATOM 0 HB2 ALA A 109 10.173 -13.859 -7.380 1.00 25.13 H new ATOM 0 HB3 ALA A 109 9.338 -15.254 -6.655 1.00 25.13 H new ATOM 1636 N MET A 110 6.151 -14.422 -8.591 1.00 70.32 N ATOM 1637 CA MET A 110 4.947 -15.197 -8.870 1.00 45.12 C ATOM 1638 C MET A 110 5.234 -16.300 -9.883 1.00 15.33 C ATOM 1639 O MET A 110 5.955 -16.089 -10.859 1.00 41.41 O ATOM 1640 CB MET A 110 3.837 -14.284 -9.394 1.00 74.03 C ATOM 1641 CG MET A 110 3.127 -13.502 -8.300 1.00 13.10 C ATOM 1642 SD MET A 110 1.377 -13.251 -8.652 1.00 31.04 S ATOM 1643 CE MET A 110 0.626 -14.197 -7.330 1.00 0.14 C ATOM 0 H MET A 110 6.444 -13.809 -9.352 1.00 70.32 H new ATOM 0 HA MET A 110 4.618 -15.659 -7.939 1.00 45.12 H new ATOM 0 HB2 MET A 110 4.263 -13.583 -10.112 1.00 74.03 H new ATOM 0 HB3 MET A 110 3.105 -14.887 -9.932 1.00 74.03 H new ATOM 0 HG2 MET A 110 3.231 -14.032 -7.353 1.00 13.10 H new ATOM 0 HG3 MET A 110 3.612 -12.533 -8.178 1.00 13.10 H new ATOM 0 HE1 MET A 110 -0.414 -14.409 -7.580 1.00 0.14 H new ATOM 0 HE2 MET A 110 1.167 -15.134 -7.201 1.00 0.14 H new ATOM 0 HE3 MET A 110 0.667 -13.624 -6.404 1.00 0.14 H new ATOM 1653 N LEU A 111 4.666 -17.477 -9.645 1.00 31.10 N ATOM 1654 CA LEU A 111 4.862 -18.616 -10.537 1.00 3.04 C ATOM 1655 C LEU A 111 3.707 -18.736 -11.526 1.00 63.32 C ATOM 1656 O LEU A 111 2.546 -18.845 -11.131 1.00 10.01 O ATOM 1657 CB LEU A 111 4.991 -19.907 -9.727 1.00 34.42 C ATOM 1658 CG LEU A 111 6.415 -20.353 -9.397 1.00 22.01 C ATOM 1659 CD1 LEU A 111 7.259 -19.165 -8.962 1.00 40.44 C ATOM 1660 CD2 LEU A 111 6.403 -21.425 -8.317 1.00 11.55 C ATOM 0 H LEU A 111 4.066 -17.668 -8.842 1.00 31.10 H new ATOM 0 HA LEU A 111 5.782 -18.453 -11.098 1.00 3.04 H new ATOM 0 HB2 LEU A 111 4.445 -19.782 -8.792 1.00 34.42 H new ATOM 0 HB3 LEU A 111 4.499 -20.709 -10.278 1.00 34.42 H new ATOM 0 HG LEU A 111 6.859 -20.778 -10.297 1.00 22.01 H new ATOM 0 HD11 LEU A 111 8.270 -19.502 -8.731 1.00 40.44 H new ATOM 0 HD12 LEU A 111 7.296 -18.431 -9.767 1.00 40.44 H new ATOM 0 HD13 LEU A 111 6.817 -18.710 -8.076 1.00 40.44 H new ATOM 0 HD21 LEU A 111 7.426 -21.730 -8.096 1.00 11.55 H new ATOM 0 HD22 LEU A 111 5.940 -21.027 -7.414 1.00 11.55 H new ATOM 0 HD23 LEU A 111 5.835 -22.287 -8.666 1.00 11.55 H new ATOM 1672 N SER A 112 4.035 -18.717 -12.814 1.00 73.51 N ATOM 1673 CA SER A 112 3.025 -18.822 -13.862 1.00 51.32 C ATOM 1674 C SER A 112 3.617 -19.436 -15.127 1.00 24.21 C ATOM 1675 O SER A 112 4.201 -18.749 -15.965 1.00 14.52 O ATOM 1676 CB SER A 112 2.439 -17.444 -14.174 1.00 2.41 C ATOM 1677 OG SER A 112 3.311 -16.411 -13.749 1.00 5.42 O ATOM 0 H SER A 112 4.992 -18.630 -13.157 1.00 73.51 H new ATOM 0 HA SER A 112 2.229 -19.474 -13.502 1.00 51.32 H new ATOM 0 HB2 SER A 112 2.260 -17.355 -15.246 1.00 2.41 H new ATOM 0 HB3 SER A 112 1.474 -17.336 -13.680 1.00 2.41 H new ATOM 0 HG SER A 112 2.987 -15.550 -14.086 1.00 5.42 H new ATOM 1683 N PRO A 113 3.462 -20.760 -15.269 1.00 54.43 N ATOM 1684 CA PRO A 113 3.973 -21.496 -16.429 1.00 23.13 C ATOM 1685 C PRO A 113 3.206 -21.171 -17.706 1.00 42.52 C ATOM 1686 O PRO A 113 3.791 -21.072 -18.785 1.00 32.13 O ATOM 1687 CB PRO A 113 3.765 -22.961 -16.039 1.00 11.42 C ATOM 1688 CG PRO A 113 2.643 -22.937 -15.060 1.00 14.31 C ATOM 1689 CD PRO A 113 2.776 -21.641 -14.310 1.00 11.21 C ATOM 0 HA PRO A 113 5.010 -21.242 -16.648 1.00 23.13 H new ATOM 0 HB2 PRO A 113 3.519 -23.571 -16.908 1.00 11.42 H new ATOM 0 HB3 PRO A 113 4.667 -23.385 -15.597 1.00 11.42 H new ATOM 0 HG2 PRO A 113 1.680 -22.997 -15.568 1.00 14.31 H new ATOM 0 HG3 PRO A 113 2.699 -23.788 -14.381 1.00 14.31 H new ATOM 0 HD2 PRO A 113 1.803 -21.242 -14.022 1.00 11.21 H new ATOM 0 HD3 PRO A 113 3.353 -21.764 -13.394 1.00 11.21 H new ATOM 1697 N TYR A 114 1.895 -21.005 -17.577 1.00 23.21 N ATOM 1698 CA TYR A 114 1.048 -20.692 -18.721 1.00 4.41 C ATOM 1699 C TYR A 114 1.079 -19.199 -19.032 1.00 5.12 C ATOM 1700 O TYR A 114 1.613 -18.778 -20.057 1.00 62.34 O ATOM 1701 CB TYR A 114 -0.391 -21.138 -18.455 1.00 10.22 C ATOM 1702 CG TYR A 114 -0.496 -22.532 -17.876 1.00 42.23 C ATOM 1703 CD1 TYR A 114 -0.363 -23.653 -18.686 1.00 54.30 C ATOM 1704 CD2 TYR A 114 -0.726 -22.726 -16.520 1.00 64.23 C ATOM 1705 CE1 TYR A 114 -0.459 -24.927 -18.162 1.00 2.11 C ATOM 1706 CE2 TYR A 114 -0.821 -23.997 -15.986 1.00 70.43 C ATOM 1707 CZ TYR A 114 -0.688 -25.095 -16.812 1.00 23.21 C ATOM 1708 OH TYR A 114 -0.782 -26.362 -16.285 1.00 44.10 O ATOM 0 H TYR A 114 1.395 -21.082 -16.691 1.00 23.21 H new ATOM 0 HA TYR A 114 1.436 -21.232 -19.584 1.00 4.41 H new ATOM 0 HB2 TYR A 114 -0.860 -20.433 -17.769 1.00 10.22 H new ATOM 0 HB3 TYR A 114 -0.953 -21.098 -19.388 1.00 10.22 H new ATOM 0 HD1 TYR A 114 -0.182 -23.526 -19.743 1.00 54.30 H new ATOM 0 HD2 TYR A 114 -0.832 -21.869 -15.872 1.00 64.23 H new ATOM 0 HE1 TYR A 114 -0.355 -25.788 -18.806 1.00 2.11 H new ATOM 0 HE2 TYR A 114 -0.998 -24.130 -14.929 1.00 70.43 H new ATOM 0 HH TYR A 114 -0.944 -26.304 -15.320 1.00 44.10 H new ATOM 1718 N SER A 115 0.504 -18.403 -18.136 1.00 54.30 N ATOM 1719 CA SER A 115 0.463 -16.956 -18.313 1.00 50.32 C ATOM 1720 C SER A 115 1.853 -16.349 -18.149 1.00 24.11 C ATOM 1721 O SER A 115 2.789 -17.021 -17.715 1.00 43.12 O ATOM 1722 CB SER A 115 -0.503 -16.324 -17.309 1.00 73.32 C ATOM 1723 OG SER A 115 -1.844 -16.430 -17.756 1.00 23.24 O ATOM 0 H SER A 115 0.060 -18.736 -17.280 1.00 54.30 H new ATOM 0 HA SER A 115 0.111 -16.749 -19.324 1.00 50.32 H new ATOM 0 HB2 SER A 115 -0.399 -16.814 -16.341 1.00 73.32 H new ATOM 0 HB3 SER A 115 -0.247 -15.275 -17.164 1.00 73.32 H new ATOM 0 HG SER A 115 -2.442 -16.020 -17.096 1.00 23.24 H new ATOM 1729 N TYR A 116 1.979 -15.074 -18.499 1.00 51.11 N ATOM 1730 CA TYR A 116 3.255 -14.375 -18.393 1.00 44.22 C ATOM 1731 C TYR A 116 3.779 -14.413 -16.961 1.00 31.31 C ATOM 1732 O TYR A 116 3.039 -14.159 -16.010 1.00 23.43 O ATOM 1733 CB TYR A 116 3.106 -12.925 -18.857 1.00 65.40 C ATOM 1734 CG TYR A 116 2.353 -12.051 -17.879 1.00 71.35 C ATOM 1735 CD1 TYR A 116 0.966 -12.085 -17.813 1.00 11.14 C ATOM 1736 CD2 TYR A 116 3.029 -11.193 -17.020 1.00 61.42 C ATOM 1737 CE1 TYR A 116 0.274 -11.288 -16.922 1.00 2.33 C ATOM 1738 CE2 TYR A 116 2.346 -10.394 -16.125 1.00 43.15 C ATOM 1739 CZ TYR A 116 0.968 -10.443 -16.080 1.00 73.22 C ATOM 1740 OH TYR A 116 0.284 -9.649 -15.190 1.00 0.32 O ATOM 0 H TYR A 116 1.214 -14.503 -18.858 1.00 51.11 H new ATOM 0 HA TYR A 116 3.974 -14.882 -19.037 1.00 44.22 H new ATOM 0 HB2 TYR A 116 4.097 -12.501 -19.022 1.00 65.40 H new ATOM 0 HB3 TYR A 116 2.589 -12.911 -19.817 1.00 65.40 H new ATOM 0 HD1 TYR A 116 0.419 -12.746 -18.469 1.00 11.14 H new ATOM 0 HD2 TYR A 116 4.108 -11.150 -17.053 1.00 61.42 H new ATOM 0 HE1 TYR A 116 -0.805 -11.326 -16.884 1.00 2.33 H new ATOM 0 HE2 TYR A 116 2.888 -9.734 -15.464 1.00 43.15 H new ATOM 0 HH TYR A 116 0.921 -9.115 -14.671 1.00 0.32 H new ATOM 1750 N SER A 117 5.063 -14.728 -16.816 1.00 62.40 N ATOM 1751 CA SER A 117 5.687 -14.801 -15.499 1.00 41.11 C ATOM 1752 C SER A 117 5.840 -13.410 -14.893 1.00 1.43 C ATOM 1753 O SER A 117 5.966 -12.417 -15.609 1.00 74.14 O ATOM 1754 CB SER A 117 7.054 -15.481 -15.598 1.00 43.31 C ATOM 1755 OG SER A 117 6.960 -16.718 -16.282 1.00 60.44 O ATOM 0 H SER A 117 5.690 -14.936 -17.593 1.00 62.40 H new ATOM 0 HA SER A 117 5.041 -15.391 -14.849 1.00 41.11 H new ATOM 0 HB2 SER A 117 7.753 -14.826 -16.119 1.00 43.31 H new ATOM 0 HB3 SER A 117 7.456 -15.644 -14.598 1.00 43.31 H new ATOM 0 HG SER A 117 7.847 -17.132 -16.333 1.00 60.44 H new ATOM 1761 N THR A 118 5.829 -13.346 -13.565 1.00 44.23 N ATOM 1762 CA THR A 118 5.966 -12.077 -12.860 1.00 62.12 C ATOM 1763 C THR A 118 7.009 -12.174 -11.753 1.00 51.22 C ATOM 1764 O THR A 118 6.994 -13.109 -10.953 1.00 52.03 O ATOM 1765 CB THR A 118 4.625 -11.628 -12.249 1.00 41.11 C ATOM 1766 OG1 THR A 118 3.536 -12.215 -12.970 1.00 53.34 O ATOM 1767 CG2 THR A 118 4.499 -10.112 -12.277 1.00 30.23 C ATOM 0 H THR A 118 5.727 -14.158 -12.956 1.00 44.23 H new ATOM 0 HA THR A 118 6.288 -11.339 -13.595 1.00 62.12 H new ATOM 0 HB THR A 118 4.594 -11.961 -11.212 1.00 41.11 H new ATOM 0 HG1 THR A 118 2.688 -11.926 -12.574 1.00 53.34 H new ATOM 0 HG21 THR A 118 3.544 -9.818 -11.841 1.00 30.23 H new ATOM 0 HG22 THR A 118 5.312 -9.669 -11.703 1.00 30.23 H new ATOM 0 HG23 THR A 118 4.550 -9.762 -13.308 1.00 30.23 H new ATOM 1775 N MET A 119 7.913 -11.200 -11.711 1.00 51.10 N ATOM 1776 CA MET A 119 8.963 -11.175 -10.700 1.00 43.42 C ATOM 1777 C MET A 119 9.308 -9.742 -10.311 1.00 2.14 C ATOM 1778 O MET A 119 9.700 -8.937 -11.155 1.00 61.44 O ATOM 1779 CB MET A 119 10.213 -11.892 -11.214 1.00 20.41 C ATOM 1780 CG MET A 119 10.880 -12.773 -10.171 1.00 61.24 C ATOM 1781 SD MET A 119 12.357 -12.017 -9.465 1.00 43.35 S ATOM 1782 CE MET A 119 13.028 -13.390 -8.531 1.00 1.53 C ATOM 0 H MET A 119 7.939 -10.418 -12.365 1.00 51.10 H new ATOM 0 HA MET A 119 8.594 -11.694 -9.815 1.00 43.42 H new ATOM 0 HB2 MET A 119 9.943 -12.503 -12.075 1.00 20.41 H new ATOM 0 HB3 MET A 119 10.930 -11.149 -11.563 1.00 20.41 H new ATOM 0 HG2 MET A 119 10.169 -12.986 -9.373 1.00 61.24 H new ATOM 0 HG3 MET A 119 11.147 -13.728 -10.624 1.00 61.24 H new ATOM 0 HE1 MET A 119 12.906 -13.199 -7.465 1.00 1.53 H new ATOM 0 HE2 MET A 119 12.500 -14.305 -8.799 1.00 1.53 H new ATOM 0 HE3 MET A 119 14.088 -13.503 -8.760 1.00 1.53 H new ATOM 1792 N ALA A 120 9.160 -9.430 -9.027 1.00 51.45 N ATOM 1793 CA ALA A 120 9.458 -8.094 -8.527 1.00 71.34 C ATOM 1794 C ALA A 120 10.779 -8.075 -7.765 1.00 72.32 C ATOM 1795 O ALA A 120 10.967 -8.826 -6.808 1.00 32.22 O ATOM 1796 CB ALA A 120 8.327 -7.599 -7.636 1.00 12.35 C ATOM 0 H ALA A 120 8.836 -10.084 -8.315 1.00 51.45 H new ATOM 0 HA ALA A 120 9.552 -7.426 -9.383 1.00 71.34 H new ATOM 0 HB1 ALA A 120 8.563 -6.600 -7.270 1.00 12.35 H new ATOM 0 HB2 ALA A 120 7.400 -7.566 -8.209 1.00 12.35 H new ATOM 0 HB3 ALA A 120 8.207 -8.276 -6.791 1.00 12.35 H new ATOM 1802 N VAL A 121 11.693 -7.212 -8.197 1.00 53.02 N ATOM 1803 CA VAL A 121 12.997 -7.095 -7.556 1.00 21.22 C ATOM 1804 C VAL A 121 13.170 -5.726 -6.907 1.00 45.24 C ATOM 1805 O VAL A 121 13.200 -4.703 -7.591 1.00 55.42 O ATOM 1806 CB VAL A 121 14.140 -7.322 -8.562 1.00 74.22 C ATOM 1807 CG1 VAL A 121 15.491 -7.213 -7.871 1.00 73.31 C ATOM 1808 CG2 VAL A 121 13.988 -8.673 -9.245 1.00 33.42 C ATOM 0 H VAL A 121 11.554 -6.584 -8.988 1.00 53.02 H new ATOM 0 HA VAL A 121 13.041 -7.867 -6.787 1.00 21.22 H new ATOM 0 HB VAL A 121 14.087 -6.546 -9.326 1.00 74.22 H new ATOM 0 HG11 VAL A 121 16.286 -7.376 -8.599 1.00 73.31 H new ATOM 0 HG12 VAL A 121 15.597 -6.220 -7.434 1.00 73.31 H new ATOM 0 HG13 VAL A 121 15.559 -7.964 -7.084 1.00 73.31 H new ATOM 0 HG21 VAL A 121 14.804 -8.817 -9.953 1.00 33.42 H new ATOM 0 HG22 VAL A 121 14.014 -9.464 -8.496 1.00 33.42 H new ATOM 0 HG23 VAL A 121 13.037 -8.707 -9.776 1.00 33.42 H new ATOM 1818 N VAL A 122 13.284 -5.714 -5.583 1.00 24.04 N ATOM 1819 CA VAL A 122 13.456 -4.470 -4.841 1.00 52.24 C ATOM 1820 C VAL A 122 14.928 -4.205 -4.546 1.00 2.02 C ATOM 1821 O VAL A 122 15.543 -4.894 -3.730 1.00 64.54 O ATOM 1822 CB VAL A 122 12.674 -4.495 -3.514 1.00 41.24 C ATOM 1823 CG1 VAL A 122 12.745 -3.141 -2.827 1.00 71.54 C ATOM 1824 CG2 VAL A 122 11.229 -4.905 -3.756 1.00 53.13 C ATOM 0 H VAL A 122 13.260 -6.552 -5.002 1.00 24.04 H new ATOM 0 HA VAL A 122 13.065 -3.670 -5.470 1.00 52.24 H new ATOM 0 HB VAL A 122 13.132 -5.233 -2.856 1.00 41.24 H new ATOM 0 HG11 VAL A 122 12.187 -3.178 -1.891 1.00 71.54 H new ATOM 0 HG12 VAL A 122 13.786 -2.893 -2.619 1.00 71.54 H new ATOM 0 HG13 VAL A 122 12.313 -2.380 -3.477 1.00 71.54 H new ATOM 0 HG21 VAL A 122 10.691 -4.918 -2.808 1.00 53.13 H new ATOM 0 HG22 VAL A 122 10.757 -4.192 -4.432 1.00 53.13 H new ATOM 0 HG23 VAL A 122 11.203 -5.899 -4.201 1.00 53.13 H new ATOM 1834 N THR A 123 15.489 -3.203 -5.214 1.00 65.41 N ATOM 1835 CA THR A 123 16.889 -2.846 -5.024 1.00 45.23 C ATOM 1836 C THR A 123 17.032 -1.395 -4.580 1.00 73.22 C ATOM 1837 O THR A 123 16.450 -0.493 -5.180 1.00 50.41 O ATOM 1838 CB THR A 123 17.703 -3.059 -6.315 1.00 11.34 C ATOM 1839 OG1 THR A 123 17.156 -2.266 -7.375 1.00 23.43 O ATOM 1840 CG2 THR A 123 17.703 -4.525 -6.719 1.00 1.51 C ATOM 0 H THR A 123 14.995 -2.623 -5.892 1.00 65.41 H new ATOM 0 HA THR A 123 17.279 -3.501 -4.245 1.00 45.23 H new ATOM 0 HB THR A 123 18.731 -2.751 -6.125 1.00 11.34 H new ATOM 0 HG1 THR A 123 16.758 -1.452 -7.002 1.00 23.43 H new ATOM 0 HG21 THR A 123 18.284 -4.651 -7.633 1.00 1.51 H new ATOM 0 HG22 THR A 123 18.147 -5.122 -5.922 1.00 1.51 H new ATOM 0 HG23 THR A 123 16.679 -4.855 -6.892 1.00 1.51 H new ATOM 1848 N ASN A 124 17.811 -1.178 -3.526 1.00 2.14 N ATOM 1849 CA ASN A 124 18.030 0.165 -3.001 1.00 14.35 C ATOM 1850 C ASN A 124 18.467 1.118 -4.110 1.00 21.24 C ATOM 1851 O ASN A 124 18.969 0.704 -5.155 1.00 34.35 O ATOM 1852 CB ASN A 124 19.085 0.137 -1.893 1.00 43.11 C ATOM 1853 CG ASN A 124 20.221 -0.820 -2.201 1.00 33.41 C ATOM 1854 OD1 ASN A 124 21.246 -0.425 -2.756 1.00 65.11 O ATOM 1855 ND2 ASN A 124 20.042 -2.086 -1.841 1.00 53.22 N ATOM 0 H ASN A 124 18.301 -1.914 -3.018 1.00 2.14 H new ATOM 0 HA ASN A 124 17.088 0.524 -2.587 1.00 14.35 H new ATOM 0 HB2 ASN A 124 19.487 1.140 -1.752 1.00 43.11 H new ATOM 0 HB3 ASN A 124 18.614 -0.153 -0.954 1.00 43.11 H new ATOM 0 HD21 ASN A 124 20.771 -2.776 -2.022 1.00 53.22 H new ATOM 0 HD22 ASN A 124 19.175 -2.368 -1.383 1.00 53.22 H new ATOM 1862 N PRO A 125 18.272 2.425 -3.878 1.00 1.24 N ATOM 1863 CA PRO A 125 18.640 3.463 -4.845 1.00 4.12 C ATOM 1864 C PRO A 125 20.151 3.613 -4.987 1.00 22.32 C ATOM 1865 O PRO A 125 20.802 4.257 -4.165 1.00 40.34 O ATOM 1866 CB PRO A 125 18.031 4.734 -4.248 1.00 23.43 C ATOM 1867 CG PRO A 125 17.944 4.462 -2.786 1.00 21.31 C ATOM 1868 CD PRO A 125 17.679 2.988 -2.653 1.00 10.43 C ATOM 0 HA PRO A 125 18.282 3.232 -5.848 1.00 4.12 H new ATOM 0 HB2 PRO A 125 18.654 5.605 -4.452 1.00 23.43 H new ATOM 0 HB3 PRO A 125 17.048 4.939 -4.672 1.00 23.43 H new ATOM 0 HG2 PRO A 125 18.870 4.739 -2.282 1.00 21.31 H new ATOM 0 HG3 PRO A 125 17.145 5.045 -2.328 1.00 21.31 H new ATOM 0 HD2 PRO A 125 18.141 2.576 -1.756 1.00 10.43 H new ATOM 0 HD3 PRO A 125 16.612 2.775 -2.588 1.00 10.43 H new ATOM 1876 N LYS A 126 20.704 3.015 -6.037 1.00 1.50 N ATOM 1877 CA LYS A 126 22.138 3.082 -6.290 1.00 65.42 C ATOM 1878 C LYS A 126 22.625 4.528 -6.278 1.00 33.33 C ATOM 1879 O LYS A 126 23.776 4.801 -5.939 1.00 12.21 O ATOM 1880 CB LYS A 126 22.471 2.433 -7.636 1.00 4.33 C ATOM 1881 CG LYS A 126 22.086 3.283 -8.834 1.00 21.32 C ATOM 1882 CD LYS A 126 20.578 3.327 -9.025 1.00 73.25 C ATOM 1883 CE LYS A 126 20.205 3.924 -10.372 1.00 21.43 C ATOM 1884 NZ LYS A 126 20.558 3.016 -11.499 1.00 72.12 N1+ ATOM 0 H LYS A 126 20.179 2.478 -6.727 1.00 1.50 H new ATOM 0 HA LYS A 126 22.647 2.538 -5.495 1.00 65.42 H new ATOM 0 HB2 LYS A 126 23.541 2.228 -7.676 1.00 4.33 H new ATOM 0 HB3 LYS A 126 21.959 1.473 -7.703 1.00 4.33 H new ATOM 0 HG2 LYS A 126 22.466 4.296 -8.700 1.00 21.32 H new ATOM 0 HG3 LYS A 126 22.556 2.882 -9.732 1.00 21.32 H new ATOM 0 HD2 LYS A 126 20.171 2.319 -8.947 1.00 73.25 H new ATOM 0 HD3 LYS A 126 20.126 3.916 -8.227 1.00 73.25 H new ATOM 0 HE2 LYS A 126 19.135 4.131 -10.394 1.00 21.43 H new ATOM 0 HE3 LYS A 126 20.716 4.878 -10.500 1.00 21.43 H new ATOM 0 HZ1 LYS A 126 20.057 3.319 -12.359 1.00 72.12 H new ATOM 0 HZ2 LYS A 126 21.584 3.051 -11.665 1.00 72.12 H new ATOM 0 HZ3 LYS A 126 20.279 2.043 -11.261 1.00 72.12 H new ATOM 1898 N GLU A 127 21.741 5.449 -6.647 1.00 63.52 N ATOM 1899 CA GLU A 127 22.082 6.866 -6.677 1.00 4.22 C ATOM 1900 C GLU A 127 22.520 7.349 -5.298 1.00 54.22 C ATOM 1901 O GLU A 127 23.161 8.392 -5.170 1.00 33.32 O ATOM 1902 CB GLU A 127 20.888 7.691 -7.163 1.00 12.12 C ATOM 1903 CG GLU A 127 20.472 7.377 -8.590 1.00 23.42 C ATOM 1904 CD GLU A 127 19.521 8.412 -9.162 1.00 72.31 C ATOM 1905 OE1 GLU A 127 18.401 8.546 -8.628 1.00 44.44 O1- ATOM 1906 OE2 GLU A 127 19.900 9.086 -10.143 1.00 54.12 O ATOM 0 H GLU A 127 20.784 5.239 -6.929 1.00 63.52 H new ATOM 0 HA GLU A 127 22.912 6.999 -7.370 1.00 4.22 H new ATOM 0 HB2 GLU A 127 20.041 7.515 -6.500 1.00 12.12 H new ATOM 0 HB3 GLU A 127 21.135 8.750 -7.090 1.00 12.12 H new ATOM 0 HG2 GLU A 127 21.360 7.318 -9.219 1.00 23.42 H new ATOM 0 HG3 GLU A 127 19.996 6.397 -8.618 1.00 23.42 H new TER 1913 GLU A 127