USER MOD reduce.3.24.130724 H: found=0, std=0, add=858, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 858 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 38 THR OG1 : rot -67:sc= 1.23 USER MOD Set 1.2: A 71 MET CE :methyl 152:sc= -0.714 (180deg=-3.48!) USER MOD Set 2.1: A 43 ASN : amide:sc= 0.384 K(o=1.1,f=-17!) USER MOD Set 2.2: A 47 LYS NZ :NH3+ 144:sc= 0.754 (180deg=-0.00615) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0.777 USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= -1.2 K(o=-1.2,f=-4.6!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN :FLIP amide:sc= 0 F(o=-0.72,f=0) USER MOD Single : A 21 TYR OH : rot 130:sc= -0.103 USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.4 USER MOD Single : A 55 LYS NZ :NH3+ -165:sc= -0.0308 (180deg=-0.263) USER MOD Single : A 58 HIS : no HE2:sc= 0.71 K(o=0.71,f=-3.5!) USER MOD Single : A 61 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 GLN :FLIP amide:sc= -0.764 F(o=-2.7!,f=-0.76) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 MET CE :methyl -168:sc= -0.0211 (180deg=-0.211) USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 91 GLN :FLIP amide:sc= -0.912 F(o=-3.1,f=-0.91) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.184 2.120 4.861 1.00 73.34 N ATOM 2 CA GLY A 1 4.242 0.756 5.436 1.00 62.13 C ATOM 3 C GLY A 1 5.180 -0.146 4.659 1.00 61.10 C ATOM 4 O GLY A 1 4.753 -0.825 3.719 1.00 24.12 O ATOM 0 H1 GLY A 1 3.532 2.705 5.421 1.00 73.34 H new ATOM 0 H2 GLY A 1 5.133 2.545 4.879 1.00 73.34 H new ATOM 0 H3 GLY A 1 3.846 2.069 3.879 1.00 73.34 H new ATOM 0 HA2 GLY A 1 4.570 0.813 6.474 1.00 62.13 H new ATOM 0 HA3 GLY A 1 3.242 0.322 5.441 1.00 62.13 H new ATOM 10 N PRO A 2 6.479 -0.162 5.014 1.00 54.02 N ATOM 11 CA PRO A 2 7.478 -1.003 4.347 1.00 54.14 C ATOM 12 C PRO A 2 7.323 -2.476 4.723 1.00 12.11 C ATOM 13 O PRO A 2 6.680 -2.812 5.724 1.00 30.53 O ATOM 14 CB PRO A 2 8.832 -0.448 4.848 1.00 64.44 C ATOM 15 CG PRO A 2 8.501 0.809 5.594 1.00 74.42 C ATOM 16 CD PRO A 2 7.090 0.640 6.084 1.00 51.33 C ATOM 0 HA PRO A 2 7.380 -0.970 3.262 1.00 54.14 H new ATOM 0 HB2 PRO A 2 9.335 -1.167 5.495 1.00 64.44 H new ATOM 0 HB3 PRO A 2 9.504 -0.244 4.015 1.00 64.44 H new ATOM 0 HG2 PRO A 2 9.188 0.961 6.427 1.00 74.42 H new ATOM 0 HG3 PRO A 2 8.587 1.681 4.946 1.00 74.42 H new ATOM 0 HD2 PRO A 2 7.052 0.130 7.046 1.00 51.33 H new ATOM 0 HD3 PRO A 2 6.587 1.598 6.212 1.00 51.33 H new ATOM 24 N GLY A 3 7.919 -3.342 3.914 1.00 32.55 N ATOM 25 CA GLY A 3 7.833 -4.774 4.134 1.00 61.02 C ATOM 26 C GLY A 3 8.472 -5.533 2.996 1.00 31.51 C ATOM 27 O GLY A 3 9.227 -4.949 2.216 1.00 24.10 O ATOM 0 H GLY A 3 8.468 -3.073 3.098 1.00 32.55 H new ATOM 0 HA2 GLY A 3 8.326 -5.032 5.071 1.00 61.02 H new ATOM 0 HA3 GLY A 3 6.788 -5.069 4.232 1.00 61.02 H new ATOM 31 N SER A 4 8.177 -6.827 2.894 1.00 41.20 N ATOM 32 CA SER A 4 8.712 -7.656 1.817 1.00 34.13 C ATOM 33 C SER A 4 10.235 -7.716 1.927 1.00 22.30 C ATOM 34 O SER A 4 10.955 -7.714 0.928 1.00 41.31 O ATOM 35 CB SER A 4 8.263 -7.097 0.461 1.00 5.34 C ATOM 36 OG SER A 4 6.846 -6.956 0.421 1.00 55.43 O ATOM 0 H SER A 4 7.570 -7.324 3.545 1.00 41.20 H new ATOM 0 HA SER A 4 8.328 -8.672 1.902 1.00 34.13 H new ATOM 0 HB2 SER A 4 8.735 -6.130 0.286 1.00 5.34 H new ATOM 0 HB3 SER A 4 8.590 -7.761 -0.339 1.00 5.34 H new ATOM 0 HG SER A 4 6.577 -6.597 -0.450 1.00 55.43 H new ATOM 42 N MET A 5 10.698 -7.801 3.175 1.00 64.41 N ATOM 43 CA MET A 5 12.125 -7.827 3.502 1.00 24.34 C ATOM 44 C MET A 5 12.816 -8.999 2.805 1.00 51.43 C ATOM 45 O MET A 5 14.015 -8.955 2.516 1.00 54.22 O ATOM 46 CB MET A 5 12.304 -7.984 5.019 1.00 2.21 C ATOM 47 CG MET A 5 11.745 -9.303 5.536 1.00 62.13 C ATOM 48 SD MET A 5 12.174 -9.657 7.246 1.00 65.44 S ATOM 49 CE MET A 5 11.648 -11.368 7.321 1.00 30.13 C ATOM 0 H MET A 5 10.090 -7.854 3.992 1.00 64.41 H new ATOM 0 HA MET A 5 12.571 -6.892 3.163 1.00 24.34 H new ATOM 0 HB2 MET A 5 13.364 -7.920 5.266 1.00 2.21 H new ATOM 0 HB3 MET A 5 11.808 -7.158 5.528 1.00 2.21 H new ATOM 0 HG2 MET A 5 10.659 -9.289 5.440 1.00 62.13 H new ATOM 0 HG3 MET A 5 12.110 -10.113 4.905 1.00 62.13 H new ATOM 0 HE1 MET A 5 11.838 -11.764 8.319 1.00 30.13 H new ATOM 0 HE2 MET A 5 10.582 -11.431 7.102 1.00 30.13 H new ATOM 0 HE3 MET A 5 12.204 -11.952 6.588 1.00 30.13 H new ATOM 59 N VAL A 6 12.043 -10.062 2.587 1.00 42.23 N ATOM 60 CA VAL A 6 12.546 -11.298 1.992 1.00 64.21 C ATOM 61 C VAL A 6 13.011 -11.121 0.545 1.00 41.01 C ATOM 62 O VAL A 6 13.063 -10.011 0.014 1.00 75.33 O ATOM 63 CB VAL A 6 11.468 -12.409 2.029 1.00 3.55 C ATOM 64 CG1 VAL A 6 11.196 -12.857 3.461 1.00 60.22 C ATOM 65 CG2 VAL A 6 10.180 -11.923 1.365 1.00 11.52 C ATOM 0 H VAL A 6 11.050 -10.090 2.818 1.00 42.23 H new ATOM 0 HA VAL A 6 13.408 -11.584 2.594 1.00 64.21 H new ATOM 0 HB VAL A 6 11.844 -13.267 1.473 1.00 3.55 H new ATOM 0 HG11 VAL A 6 10.435 -13.638 3.460 1.00 60.22 H new ATOM 0 HG12 VAL A 6 12.114 -13.246 3.901 1.00 60.22 H new ATOM 0 HG13 VAL A 6 10.844 -12.008 4.047 1.00 60.22 H new ATOM 0 HG21 VAL A 6 9.432 -12.715 1.399 1.00 11.52 H new ATOM 0 HG22 VAL A 6 9.805 -11.047 1.895 1.00 11.52 H new ATOM 0 HG23 VAL A 6 10.383 -11.660 0.327 1.00 11.52 H new ATOM 75 N ASN A 7 13.352 -12.253 -0.066 1.00 53.22 N ATOM 76 CA ASN A 7 13.825 -12.327 -1.446 1.00 71.21 C ATOM 77 C ASN A 7 12.815 -11.736 -2.430 1.00 44.52 C ATOM 78 O ASN A 7 11.666 -11.489 -2.075 1.00 33.22 O ATOM 79 CB ASN A 7 14.041 -13.797 -1.810 1.00 54.12 C ATOM 80 CG ASN A 7 15.112 -13.991 -2.853 1.00 14.33 C ATOM 81 OD1 ASN A 7 14.859 -13.904 -4.054 1.00 32.24 O ATOM 82 ND2 ASN A 7 16.302 -14.287 -2.383 1.00 52.12 N ATOM 0 H ASN A 7 13.306 -13.163 0.393 1.00 53.22 H new ATOM 0 HA ASN A 7 14.749 -11.753 -1.515 1.00 71.21 H new ATOM 0 HB2 ASN A 7 14.310 -14.353 -0.912 1.00 54.12 H new ATOM 0 HB3 ASN A 7 13.104 -14.217 -2.176 1.00 54.12 H new ATOM 0 HD21 ASN A 7 17.076 -14.459 -3.025 1.00 52.12 H new ATOM 0 HD22 ASN A 7 16.453 -14.345 -1.376 1.00 52.12 H new ATOM 89 N ALA A 8 13.246 -11.559 -3.674 1.00 60.32 N ATOM 90 CA ALA A 8 12.356 -11.130 -4.749 1.00 3.34 C ATOM 91 C ALA A 8 11.251 -12.164 -4.975 1.00 60.24 C ATOM 92 O ALA A 8 10.064 -11.837 -4.929 1.00 14.22 O ATOM 93 CB ALA A 8 13.144 -10.897 -6.032 1.00 31.02 C ATOM 0 H ALA A 8 14.212 -11.707 -3.965 1.00 60.32 H new ATOM 0 HA ALA A 8 11.890 -10.189 -4.457 1.00 3.34 H new ATOM 0 HB1 ALA A 8 12.465 -10.578 -6.823 1.00 31.02 H new ATOM 0 HB2 ALA A 8 13.894 -10.124 -5.863 1.00 31.02 H new ATOM 0 HB3 ALA A 8 13.638 -11.822 -6.329 1.00 31.02 H new ATOM 99 N PHE A 9 11.649 -13.420 -5.209 1.00 32.01 N ATOM 100 CA PHE A 9 10.693 -14.515 -5.400 1.00 51.44 C ATOM 101 C PHE A 9 9.765 -14.629 -4.193 1.00 64.40 C ATOM 102 O PHE A 9 8.553 -14.780 -4.329 1.00 61.22 O ATOM 103 CB PHE A 9 11.446 -15.840 -5.597 1.00 13.33 C ATOM 104 CG PHE A 9 10.555 -17.033 -5.837 1.00 33.31 C ATOM 105 CD1 PHE A 9 10.044 -17.768 -4.778 1.00 60.44 C ATOM 106 CD2 PHE A 9 10.224 -17.412 -7.126 1.00 74.23 C ATOM 107 CE1 PHE A 9 9.229 -18.857 -5.001 1.00 44.20 C ATOM 108 CE2 PHE A 9 9.405 -18.503 -7.353 1.00 51.30 C ATOM 109 CZ PHE A 9 8.906 -19.223 -6.289 1.00 62.30 C ATOM 0 H PHE A 9 12.627 -13.703 -5.271 1.00 32.01 H new ATOM 0 HA PHE A 9 10.095 -14.302 -6.287 1.00 51.44 H new ATOM 0 HB2 PHE A 9 12.127 -15.735 -6.441 1.00 13.33 H new ATOM 0 HB3 PHE A 9 12.058 -16.031 -4.716 1.00 13.33 H new ATOM 0 HD1 PHE A 9 10.288 -17.483 -3.765 1.00 60.44 H new ATOM 0 HD2 PHE A 9 10.609 -16.850 -7.964 1.00 74.23 H new ATOM 0 HE1 PHE A 9 8.844 -19.423 -4.166 1.00 44.20 H new ATOM 0 HE2 PHE A 9 9.156 -18.791 -8.364 1.00 51.30 H new ATOM 0 HZ PHE A 9 8.263 -20.073 -6.465 1.00 62.30 H new ATOM 119 N LEU A 10 10.362 -14.547 -3.016 1.00 11.31 N ATOM 120 CA LEU A 10 9.640 -14.701 -1.762 1.00 65.43 C ATOM 121 C LEU A 10 8.620 -13.574 -1.574 1.00 12.34 C ATOM 122 O LEU A 10 7.459 -13.825 -1.250 1.00 22.41 O ATOM 123 CB LEU A 10 10.646 -14.748 -0.599 1.00 53.03 C ATOM 124 CG LEU A 10 11.346 -16.107 -0.377 1.00 71.33 C ATOM 125 CD1 LEU A 10 10.351 -17.126 0.159 1.00 60.00 C ATOM 126 CD2 LEU A 10 11.990 -16.628 -1.664 1.00 5.43 C ATOM 0 H LEU A 10 11.360 -14.372 -2.902 1.00 11.31 H new ATOM 0 HA LEU A 10 9.081 -15.637 -1.782 1.00 65.43 H new ATOM 0 HB2 LEU A 10 11.410 -13.990 -0.772 1.00 53.03 H new ATOM 0 HB3 LEU A 10 10.126 -14.473 0.319 1.00 53.03 H new ATOM 0 HG LEU A 10 12.140 -15.956 0.355 1.00 71.33 H new ATOM 0 HD11 LEU A 10 10.855 -18.081 0.312 1.00 60.00 H new ATOM 0 HD12 LEU A 10 9.945 -16.774 1.107 1.00 60.00 H new ATOM 0 HD13 LEU A 10 9.540 -17.254 -0.558 1.00 60.00 H new ATOM 0 HD21 LEU A 10 12.472 -17.586 -1.468 1.00 5.43 H new ATOM 0 HD22 LEU A 10 11.223 -16.758 -2.428 1.00 5.43 H new ATOM 0 HD23 LEU A 10 12.734 -15.912 -2.014 1.00 5.43 H new ATOM 138 N ALA A 11 9.058 -12.337 -1.786 1.00 51.23 N ATOM 139 CA ALA A 11 8.165 -11.180 -1.749 1.00 43.20 C ATOM 140 C ALA A 11 7.028 -11.344 -2.758 1.00 60.02 C ATOM 141 O ALA A 11 5.881 -10.979 -2.485 1.00 21.33 O ATOM 142 CB ALA A 11 8.947 -9.900 -2.025 1.00 15.33 C ATOM 0 H ALA A 11 10.031 -12.108 -1.986 1.00 51.23 H new ATOM 0 HA ALA A 11 7.728 -11.112 -0.753 1.00 43.20 H new ATOM 0 HB1 ALA A 11 8.270 -9.046 -1.994 1.00 15.33 H new ATOM 0 HB2 ALA A 11 9.721 -9.776 -1.268 1.00 15.33 H new ATOM 0 HB3 ALA A 11 9.409 -9.961 -3.010 1.00 15.33 H new ATOM 148 N LYS A 12 7.362 -11.900 -3.924 1.00 75.22 N ATOM 149 CA LYS A 12 6.375 -12.186 -4.962 1.00 3.03 C ATOM 150 C LYS A 12 5.324 -13.167 -4.437 1.00 75.15 C ATOM 151 O LYS A 12 4.125 -12.949 -4.608 1.00 72.25 O ATOM 152 CB LYS A 12 7.072 -12.751 -6.216 1.00 62.31 C ATOM 153 CG LYS A 12 6.123 -13.372 -7.244 1.00 64.45 C ATOM 154 CD LYS A 12 5.176 -12.354 -7.873 1.00 25.11 C ATOM 155 CE LYS A 12 5.892 -11.410 -8.833 1.00 55.23 C ATOM 156 NZ LYS A 12 4.930 -10.573 -9.594 1.00 30.21 N ATOM 0 H LYS A 12 8.316 -12.162 -4.172 1.00 75.22 H new ATOM 0 HA LYS A 12 5.871 -11.259 -5.237 1.00 3.03 H new ATOM 0 HB2 LYS A 12 7.634 -11.950 -6.696 1.00 62.31 H new ATOM 0 HB3 LYS A 12 7.795 -13.505 -5.906 1.00 62.31 H new ATOM 0 HG2 LYS A 12 6.709 -13.849 -8.030 1.00 64.45 H new ATOM 0 HG3 LYS A 12 5.538 -14.156 -6.763 1.00 64.45 H new ATOM 0 HD2 LYS A 12 4.385 -12.880 -8.407 1.00 25.11 H new ATOM 0 HD3 LYS A 12 4.697 -11.772 -7.085 1.00 25.11 H new ATOM 0 HE2 LYS A 12 6.571 -10.767 -8.273 1.00 55.23 H new ATOM 0 HE3 LYS A 12 6.501 -11.989 -9.528 1.00 55.23 H new ATOM 0 HZ1 LYS A 12 5.451 -9.943 -10.237 1.00 30.21 H new ATOM 0 HZ2 LYS A 12 4.298 -11.186 -10.147 1.00 30.21 H new ATOM 0 HZ3 LYS A 12 4.367 -10.002 -8.932 1.00 30.21 H new ATOM 170 N ILE A 13 5.785 -14.237 -3.786 1.00 44.14 N ATOM 171 CA ILE A 13 4.885 -15.227 -3.190 1.00 31.13 C ATOM 172 C ILE A 13 3.972 -14.569 -2.160 1.00 54.15 C ATOM 173 O ILE A 13 2.761 -14.789 -2.154 1.00 11.24 O ATOM 174 CB ILE A 13 5.667 -16.378 -2.498 1.00 33.44 C ATOM 175 CG1 ILE A 13 6.502 -17.167 -3.515 1.00 4.41 C ATOM 176 CG2 ILE A 13 4.713 -17.317 -1.749 1.00 34.00 C ATOM 177 CD1 ILE A 13 5.677 -17.981 -4.489 1.00 1.42 C ATOM 0 H ILE A 13 6.776 -14.440 -3.658 1.00 44.14 H new ATOM 0 HA ILE A 13 4.293 -15.645 -4.004 1.00 31.13 H new ATOM 0 HB ILE A 13 6.346 -15.927 -1.774 1.00 33.44 H new ATOM 0 HG12 ILE A 13 7.126 -16.471 -4.076 1.00 4.41 H new ATOM 0 HG13 ILE A 13 7.175 -17.835 -2.977 1.00 4.41 H new ATOM 0 HG21 ILE A 13 5.285 -18.114 -1.274 1.00 34.00 H new ATOM 0 HG22 ILE A 13 4.172 -16.755 -0.988 1.00 34.00 H new ATOM 0 HG23 ILE A 13 4.003 -17.751 -2.453 1.00 34.00 H new ATOM 0 HD11 ILE A 13 6.340 -18.509 -5.174 1.00 1.42 H new ATOM 0 HD12 ILE A 13 5.073 -18.703 -3.940 1.00 1.42 H new ATOM 0 HD13 ILE A 13 5.023 -17.318 -5.055 1.00 1.42 H new ATOM 189 N ALA A 14 4.568 -13.755 -1.294 1.00 10.43 N ATOM 190 CA ALA A 14 3.837 -13.095 -0.221 1.00 65.03 C ATOM 191 C ALA A 14 2.718 -12.209 -0.779 1.00 45.24 C ATOM 192 O ALA A 14 1.583 -12.258 -0.306 1.00 22.51 O ATOM 193 CB ALA A 14 4.791 -12.280 0.647 1.00 21.21 C ATOM 0 H ALA A 14 5.564 -13.536 -1.317 1.00 10.43 H new ATOM 0 HA ALA A 14 3.374 -13.863 0.399 1.00 65.03 H new ATOM 0 HB1 ALA A 14 4.231 -11.792 1.445 1.00 21.21 H new ATOM 0 HB2 ALA A 14 5.541 -12.940 1.082 1.00 21.21 H new ATOM 0 HB3 ALA A 14 5.284 -11.524 0.035 1.00 21.21 H new ATOM 199 N ALA A 15 3.044 -11.417 -1.798 1.00 74.24 N ATOM 200 CA ALA A 15 2.071 -10.522 -2.426 1.00 32.11 C ATOM 201 C ALA A 15 0.991 -11.322 -3.153 1.00 51.43 C ATOM 202 O ALA A 15 -0.202 -11.077 -2.981 1.00 74.42 O ATOM 203 CB ALA A 15 2.774 -9.564 -3.386 1.00 53.00 C ATOM 0 H ALA A 15 3.977 -11.376 -2.208 1.00 74.24 H new ATOM 0 HA ALA A 15 1.587 -9.935 -1.645 1.00 32.11 H new ATOM 0 HB1 ALA A 15 2.038 -8.904 -3.846 1.00 53.00 H new ATOM 0 HB2 ALA A 15 3.503 -8.968 -2.837 1.00 53.00 H new ATOM 0 HB3 ALA A 15 3.284 -10.135 -4.162 1.00 53.00 H new ATOM 209 N TRP A 16 1.434 -12.291 -3.946 1.00 42.31 N ATOM 210 CA TRP A 16 0.541 -13.169 -4.702 1.00 14.44 C ATOM 211 C TRP A 16 -0.473 -13.849 -3.777 1.00 61.31 C ATOM 212 O TRP A 16 -1.674 -13.860 -4.056 1.00 4.24 O ATOM 213 CB TRP A 16 1.393 -14.200 -5.466 1.00 24.40 C ATOM 214 CG TRP A 16 0.698 -15.489 -5.813 1.00 52.04 C ATOM 215 CD1 TRP A 16 -0.265 -15.690 -6.758 1.00 52.03 C ATOM 216 CD2 TRP A 16 0.953 -16.766 -5.220 1.00 31.11 C ATOM 217 NE1 TRP A 16 -0.630 -17.017 -6.782 1.00 3.11 N ATOM 218 CE2 TRP A 16 0.107 -17.697 -5.844 1.00 21.40 C ATOM 219 CE3 TRP A 16 1.818 -17.207 -4.215 1.00 71.50 C ATOM 220 CZ2 TRP A 16 0.104 -19.049 -5.493 1.00 15.24 C ATOM 221 CZ3 TRP A 16 1.815 -18.542 -3.871 1.00 2.41 C ATOM 222 CH2 TRP A 16 0.964 -19.450 -4.506 1.00 12.14 C ATOM 0 H TRP A 16 2.424 -12.492 -4.085 1.00 42.31 H new ATOM 0 HA TRP A 16 -0.034 -12.581 -5.418 1.00 14.44 H new ATOM 0 HB2 TRP A 16 1.748 -13.740 -6.388 1.00 24.40 H new ATOM 0 HB3 TRP A 16 2.273 -14.433 -4.867 1.00 24.40 H new ATOM 0 HD1 TRP A 16 -0.680 -14.922 -7.393 1.00 52.03 H new ATOM 0 HE1 TRP A 16 -1.333 -17.428 -7.396 1.00 3.11 H new ATOM 0 HE3 TRP A 16 2.478 -16.513 -3.716 1.00 71.50 H new ATOM 0 HZ2 TRP A 16 -0.553 -19.753 -5.983 1.00 15.24 H new ATOM 0 HZ3 TRP A 16 2.482 -18.892 -3.097 1.00 2.41 H new ATOM 0 HH2 TRP A 16 0.985 -20.489 -4.212 1.00 12.14 H new ATOM 233 N LEU A 17 0.022 -14.397 -2.672 1.00 61.21 N ATOM 234 CA LEU A 17 -0.832 -15.050 -1.683 1.00 62.45 C ATOM 235 C LEU A 17 -1.742 -14.041 -0.994 1.00 2.03 C ATOM 236 O LEU A 17 -2.946 -14.270 -0.857 1.00 1.20 O ATOM 237 CB LEU A 17 0.029 -15.790 -0.647 1.00 54.03 C ATOM 238 CG LEU A 17 0.132 -17.304 -0.860 1.00 44.41 C ATOM 239 CD1 LEU A 17 1.190 -17.912 0.052 1.00 31.01 C ATOM 240 CD2 LEU A 17 -1.231 -17.953 -0.624 1.00 20.20 C ATOM 0 H LEU A 17 1.015 -14.402 -2.437 1.00 61.21 H new ATOM 0 HA LEU A 17 -1.463 -15.773 -2.200 1.00 62.45 H new ATOM 0 HB2 LEU A 17 1.033 -15.366 -0.661 1.00 54.03 H new ATOM 0 HB3 LEU A 17 -0.382 -15.604 0.345 1.00 54.03 H new ATOM 0 HG LEU A 17 0.437 -17.493 -1.889 1.00 44.41 H new ATOM 0 HD11 LEU A 17 1.243 -18.987 -0.119 1.00 31.01 H new ATOM 0 HD12 LEU A 17 2.159 -17.462 -0.164 1.00 31.01 H new ATOM 0 HD13 LEU A 17 0.926 -17.723 1.092 1.00 31.01 H new ATOM 0 HD21 LEU A 17 -1.153 -19.029 -0.777 1.00 20.20 H new ATOM 0 HD22 LEU A 17 -1.557 -17.754 0.397 1.00 20.20 H new ATOM 0 HD23 LEU A 17 -1.957 -17.539 -1.324 1.00 20.20 H new ATOM 252 N ASN A 18 -1.167 -12.919 -0.580 1.00 65.13 N ATOM 253 CA ASN A 18 -1.908 -11.898 0.151 1.00 45.11 C ATOM 254 C ASN A 18 -3.000 -11.284 -0.730 1.00 52.24 C ATOM 255 O ASN A 18 -4.020 -10.805 -0.233 1.00 12.31 O ATOM 256 CB ASN A 18 -0.951 -10.810 0.662 1.00 44.01 C ATOM 257 CG ASN A 18 -1.624 -9.750 1.527 1.00 55.42 C ATOM 258 OD1 ASN A 18 -2.652 -10.134 2.274 1.00 21.33 O flip ATOM 259 ND2 ASN A 18 -1.201 -8.592 1.541 1.00 62.40 N flip ATOM 0 H ASN A 18 -0.185 -12.692 -0.739 1.00 65.13 H new ATOM 0 HA ASN A 18 -2.390 -12.369 1.008 1.00 45.11 H new ATOM 0 HB2 ASN A 18 -0.154 -11.282 1.237 1.00 44.01 H new ATOM 0 HB3 ASN A 18 -0.481 -10.323 -0.193 1.00 44.01 H new ATOM 0 HD21 ASN A 18 -0.409 -8.331 0.954 1.00 62.40 H new ATOM 0 HD22 ASN A 18 -1.643 -7.895 2.140 1.00 62.40 H new ATOM 266 N ALA A 19 -2.778 -11.311 -2.042 1.00 61.24 N ATOM 267 CA ALA A 19 -3.757 -10.811 -3.003 1.00 24.21 C ATOM 268 C ALA A 19 -4.924 -11.788 -3.142 1.00 11.54 C ATOM 269 O ALA A 19 -6.058 -11.388 -3.410 1.00 11.42 O ATOM 270 CB ALA A 19 -3.097 -10.571 -4.357 1.00 61.32 C ATOM 0 H ALA A 19 -1.925 -11.676 -2.465 1.00 61.24 H new ATOM 0 HA ALA A 19 -4.148 -9.863 -2.634 1.00 24.21 H new ATOM 0 HB1 ALA A 19 -3.839 -10.198 -5.063 1.00 61.32 H new ATOM 0 HB2 ALA A 19 -2.299 -9.836 -4.248 1.00 61.32 H new ATOM 0 HB3 ALA A 19 -2.680 -11.507 -4.729 1.00 61.32 H new ATOM 276 N GLY A 20 -4.630 -13.075 -2.962 1.00 74.52 N ATOM 277 CA GLY A 20 -5.659 -14.101 -3.036 1.00 23.12 C ATOM 278 C GLY A 20 -6.373 -14.295 -1.710 1.00 55.43 C ATOM 279 O GLY A 20 -7.540 -14.695 -1.670 1.00 43.31 O ATOM 0 H GLY A 20 -3.693 -13.427 -2.765 1.00 74.52 H new ATOM 0 HA2 GLY A 20 -6.386 -13.829 -3.802 1.00 23.12 H new ATOM 0 HA3 GLY A 20 -5.208 -15.044 -3.345 1.00 23.12 H new ATOM 283 N TYR A 21 -5.664 -14.013 -0.619 1.00 62.21 N ATOM 284 CA TYR A 21 -6.212 -14.133 0.727 1.00 10.20 C ATOM 285 C TYR A 21 -5.825 -12.923 1.576 1.00 4.45 C ATOM 286 O TYR A 21 -4.791 -12.933 2.249 1.00 64.21 O ATOM 287 CB TYR A 21 -5.716 -15.414 1.410 1.00 61.50 C ATOM 288 CG TYR A 21 -6.128 -16.698 0.718 1.00 73.21 C ATOM 289 CD1 TYR A 21 -7.407 -17.214 0.880 1.00 11.11 C ATOM 290 CD2 TYR A 21 -5.230 -17.407 -0.071 1.00 62.43 C ATOM 291 CE1 TYR A 21 -7.781 -18.394 0.273 1.00 44.33 C ATOM 292 CE2 TYR A 21 -5.597 -18.589 -0.679 1.00 2.43 C ATOM 293 CZ TYR A 21 -6.873 -19.079 -0.505 1.00 65.41 C ATOM 294 OH TYR A 21 -7.240 -20.262 -1.105 1.00 73.14 O ATOM 0 H TYR A 21 -4.695 -13.695 -0.645 1.00 62.21 H new ATOM 0 HA TYR A 21 -7.297 -14.178 0.638 1.00 10.20 H new ATOM 0 HB2 TYR A 21 -4.628 -15.381 1.468 1.00 61.50 H new ATOM 0 HB3 TYR A 21 -6.090 -15.432 2.434 1.00 61.50 H new ATOM 0 HD1 TYR A 21 -8.121 -16.682 1.492 1.00 11.11 H new ATOM 0 HD2 TYR A 21 -4.229 -17.026 -0.210 1.00 62.43 H new ATOM 0 HE1 TYR A 21 -8.781 -18.780 0.407 1.00 44.33 H new ATOM 0 HE2 TYR A 21 -4.887 -19.128 -1.289 1.00 2.43 H new ATOM 0 HH TYR A 21 -7.005 -20.233 -2.056 1.00 73.14 H new ATOM 304 N PRO A 22 -6.636 -11.852 1.545 1.00 33.03 N ATOM 305 CA PRO A 22 -6.395 -10.657 2.363 1.00 62.52 C ATOM 306 C PRO A 22 -6.769 -10.890 3.829 1.00 1.51 C ATOM 307 O PRO A 22 -6.297 -10.189 4.724 1.00 55.41 O ATOM 308 CB PRO A 22 -7.312 -9.608 1.720 1.00 44.14 C ATOM 309 CG PRO A 22 -8.436 -10.401 1.137 1.00 13.52 C ATOM 310 CD PRO A 22 -7.836 -11.712 0.694 1.00 34.34 C ATOM 0 HA PRO A 22 -5.346 -10.362 2.382 1.00 62.52 H new ATOM 0 HB2 PRO A 22 -7.673 -8.891 2.457 1.00 44.14 H new ATOM 0 HB3 PRO A 22 -6.787 -9.039 0.952 1.00 44.14 H new ATOM 0 HG2 PRO A 22 -9.223 -10.562 1.874 1.00 13.52 H new ATOM 0 HG3 PRO A 22 -8.889 -9.876 0.296 1.00 13.52 H new ATOM 0 HD2 PRO A 22 -8.530 -12.540 0.840 1.00 34.34 H new ATOM 0 HD3 PRO A 22 -7.577 -11.697 -0.365 1.00 34.34 H new ATOM 318 N GLU A 23 -7.609 -11.898 4.058 1.00 61.20 N ATOM 319 CA GLU A 23 -8.131 -12.202 5.393 1.00 14.11 C ATOM 320 C GLU A 23 -7.514 -13.484 5.957 1.00 1.14 C ATOM 321 O GLU A 23 -7.801 -13.872 7.093 1.00 3.25 O ATOM 322 CB GLU A 23 -9.655 -12.352 5.319 1.00 54.54 C ATOM 323 CG GLU A 23 -10.115 -13.423 4.333 1.00 45.01 C ATOM 324 CD GLU A 23 -11.627 -13.569 4.282 1.00 53.32 C ATOM 325 OE1 GLU A 23 -12.277 -12.830 3.509 1.00 54.44 O ATOM 326 OE2 GLU A 23 -12.172 -14.422 5.012 1.00 44.43 O ATOM 0 H GLU A 23 -7.947 -12.526 3.328 1.00 61.20 H new ATOM 0 HA GLU A 23 -7.866 -11.381 6.059 1.00 14.11 H new ATOM 0 HB2 GLU A 23 -10.037 -12.595 6.311 1.00 54.54 H new ATOM 0 HB3 GLU A 23 -10.093 -11.395 5.034 1.00 54.54 H new ATOM 0 HG2 GLU A 23 -9.745 -13.177 3.338 1.00 45.01 H new ATOM 0 HG3 GLU A 23 -9.672 -14.379 4.610 1.00 45.01 H new ATOM 333 N GLY A 24 -6.659 -14.127 5.169 1.00 55.34 N ATOM 334 CA GLY A 24 -6.097 -15.410 5.553 1.00 5.42 C ATOM 335 C GLY A 24 -6.729 -16.549 4.779 1.00 72.15 C ATOM 336 O GLY A 24 -7.760 -16.362 4.130 1.00 1.40 O ATOM 0 H GLY A 24 -6.343 -13.779 4.264 1.00 55.34 H new ATOM 0 HA2 GLY A 24 -5.021 -15.404 5.379 1.00 5.42 H new ATOM 0 HA3 GLY A 24 -6.246 -15.568 6.621 1.00 5.42 H new ATOM 340 N VAL A 25 -6.123 -17.726 4.845 1.00 31.52 N ATOM 341 CA VAL A 25 -6.601 -18.882 4.090 1.00 42.05 C ATOM 342 C VAL A 25 -7.353 -19.843 5.020 1.00 51.00 C ATOM 343 O VAL A 25 -6.869 -20.139 6.111 1.00 41.02 O ATOM 344 CB VAL A 25 -5.413 -19.640 3.432 1.00 71.20 C ATOM 345 CG1 VAL A 25 -5.891 -20.596 2.349 1.00 42.22 C ATOM 346 CG2 VAL A 25 -4.357 -18.674 2.902 1.00 50.32 C ATOM 0 H VAL A 25 -5.297 -17.909 5.415 1.00 31.52 H new ATOM 0 HA VAL A 25 -7.271 -18.522 3.309 1.00 42.05 H new ATOM 0 HB VAL A 25 -4.941 -20.241 4.209 1.00 71.20 H new ATOM 0 HG11 VAL A 25 -5.034 -21.108 1.911 1.00 42.22 H new ATOM 0 HG12 VAL A 25 -6.569 -21.330 2.785 1.00 42.22 H new ATOM 0 HG13 VAL A 25 -6.413 -20.036 1.574 1.00 42.22 H new ATOM 0 HG21 VAL A 25 -3.542 -19.239 2.449 1.00 50.32 H new ATOM 0 HG22 VAL A 25 -4.805 -18.020 2.154 1.00 50.32 H new ATOM 0 HG23 VAL A 25 -3.969 -18.073 3.724 1.00 50.32 H new ATOM 356 N PRO A 26 -8.545 -20.333 4.622 1.00 73.25 N ATOM 357 CA PRO A 26 -9.266 -21.358 5.393 1.00 54.21 C ATOM 358 C PRO A 26 -8.552 -22.708 5.319 1.00 64.34 C ATOM 359 O PRO A 26 -7.828 -22.966 4.365 1.00 2.12 O ATOM 360 CB PRO A 26 -10.637 -21.434 4.708 1.00 23.03 C ATOM 361 CG PRO A 26 -10.392 -20.956 3.317 1.00 64.34 C ATOM 362 CD PRO A 26 -9.287 -19.932 3.410 1.00 63.21 C ATOM 0 HA PRO A 26 -9.332 -21.113 6.453 1.00 54.21 H new ATOM 0 HB2 PRO A 26 -11.027 -22.452 4.714 1.00 23.03 H new ATOM 0 HB3 PRO A 26 -11.370 -20.809 5.218 1.00 23.03 H new ATOM 0 HG2 PRO A 26 -10.103 -21.782 2.667 1.00 64.34 H new ATOM 0 HG3 PRO A 26 -11.295 -20.517 2.892 1.00 64.34 H new ATOM 0 HD2 PRO A 26 -8.650 -19.948 2.526 1.00 63.21 H new ATOM 0 HD3 PRO A 26 -9.684 -18.921 3.499 1.00 63.21 H new ATOM 370 N GLY A 27 -8.777 -23.564 6.315 1.00 3.45 N ATOM 371 CA GLY A 27 -8.104 -24.863 6.393 1.00 3.53 C ATOM 372 C GLY A 27 -8.119 -25.671 5.095 1.00 40.15 C ATOM 373 O GLY A 27 -7.045 -26.061 4.599 1.00 54.14 O ATOM 0 H GLY A 27 -9.423 -23.381 7.083 1.00 3.45 H new ATOM 0 HA2 GLY A 27 -7.068 -24.703 6.693 1.00 3.53 H new ATOM 0 HA3 GLY A 27 -8.575 -25.454 7.178 1.00 3.53 H new ATOM 377 N PRO A 28 -9.311 -25.915 4.498 1.00 4.10 N ATOM 378 CA PRO A 28 -9.438 -26.781 3.317 1.00 31.40 C ATOM 379 C PRO A 28 -8.781 -26.174 2.080 1.00 1.42 C ATOM 380 O PRO A 28 -8.726 -26.801 1.023 1.00 5.10 O ATOM 381 CB PRO A 28 -10.955 -26.911 3.122 1.00 12.20 C ATOM 382 CG PRO A 28 -11.518 -25.678 3.741 1.00 51.25 C ATOM 383 CD PRO A 28 -10.617 -25.356 4.907 1.00 54.20 C ATOM 0 HA PRO A 28 -8.937 -27.739 3.459 1.00 31.40 H new ATOM 0 HB2 PRO A 28 -11.215 -26.979 2.066 1.00 12.20 H new ATOM 0 HB3 PRO A 28 -11.342 -27.809 3.604 1.00 12.20 H new ATOM 0 HG2 PRO A 28 -11.540 -24.856 3.025 1.00 51.25 H new ATOM 0 HG3 PRO A 28 -12.544 -25.840 4.072 1.00 51.25 H new ATOM 0 HD2 PRO A 28 -10.557 -24.282 5.083 1.00 54.20 H new ATOM 0 HD3 PRO A 28 -10.977 -25.811 5.830 1.00 54.20 H new ATOM 391 N ASP A 29 -8.310 -24.937 2.218 1.00 63.12 N ATOM 392 CA ASP A 29 -7.545 -24.271 1.165 1.00 75.13 C ATOM 393 C ASP A 29 -6.086 -24.135 1.596 1.00 41.35 C ATOM 394 O ASP A 29 -5.188 -24.119 0.761 1.00 20.04 O ATOM 395 CB ASP A 29 -8.146 -22.894 0.836 1.00 13.15 C ATOM 396 CG ASP A 29 -9.515 -22.992 0.170 1.00 11.41 C ATOM 397 OD1 ASP A 29 -10.478 -23.431 0.834 1.00 33.11 O ATOM 398 OD2 ASP A 29 -9.644 -22.623 -1.018 1.00 42.44 O ATOM 0 H ASP A 29 -8.446 -24.371 3.056 1.00 63.12 H new ATOM 0 HA ASP A 29 -7.592 -24.878 0.261 1.00 75.13 H new ATOM 0 HB2 ASP A 29 -8.234 -22.312 1.753 1.00 13.15 H new ATOM 0 HB3 ASP A 29 -7.465 -22.353 0.179 1.00 13.15 H new ATOM 403 N ARG A 30 -5.859 -24.080 2.914 1.00 54.40 N ATOM 404 CA ARG A 30 -4.513 -24.003 3.473 1.00 24.35 C ATOM 405 C ARG A 30 -3.717 -25.256 3.150 1.00 11.25 C ATOM 406 O ARG A 30 -2.607 -25.175 2.617 1.00 45.02 O ATOM 407 CB ARG A 30 -4.550 -23.820 4.997 1.00 44.21 C ATOM 408 CG ARG A 30 -4.908 -22.415 5.452 1.00 23.22 C ATOM 409 CD ARG A 30 -4.736 -22.246 6.959 1.00 3.15 C ATOM 410 NE ARG A 30 -5.708 -23.028 7.731 1.00 71.13 N ATOM 411 CZ ARG A 30 -5.390 -23.844 8.741 1.00 23.15 C ATOM 412 NH1 ARG A 30 -4.120 -24.027 9.089 1.00 65.41 N ATOM 413 NH2 ARG A 30 -6.346 -24.476 9.410 1.00 74.54 N ATOM 0 H ARG A 30 -6.600 -24.088 3.615 1.00 54.40 H new ATOM 0 HA ARG A 30 -4.031 -23.137 3.020 1.00 24.35 H new ATOM 0 HB2 ARG A 30 -5.272 -24.520 5.417 1.00 44.21 H new ATOM 0 HB3 ARG A 30 -3.575 -24.084 5.406 1.00 44.21 H new ATOM 0 HG2 ARG A 30 -4.279 -21.693 4.931 1.00 23.22 H new ATOM 0 HG3 ARG A 30 -5.940 -22.196 5.177 1.00 23.22 H new ATOM 0 HD2 ARG A 30 -3.727 -22.547 7.241 1.00 3.15 H new ATOM 0 HD3 ARG A 30 -4.838 -21.192 7.216 1.00 3.15 H new ATOM 0 HE ARG A 30 -6.693 -22.943 7.480 1.00 71.13 H new ATOM 0 HH11 ARG A 30 -3.378 -23.543 8.584 1.00 65.41 H new ATOM 0 HH12 ARG A 30 -3.888 -24.652 9.861 1.00 65.41 H new ATOM 0 HH21 ARG A 30 -7.324 -24.339 9.154 1.00 74.54 H new ATOM 0 HH22 ARG A 30 -6.103 -25.099 10.181 1.00 74.54 H new ATOM 427 N VAL A 31 -4.281 -26.416 3.480 1.00 12.44 N ATOM 428 CA VAL A 31 -3.567 -27.679 3.292 1.00 14.30 C ATOM 429 C VAL A 31 -3.120 -27.849 1.828 1.00 1.22 C ATOM 430 O VAL A 31 -1.942 -28.112 1.561 1.00 3.34 O ATOM 431 CB VAL A 31 -4.400 -28.908 3.741 1.00 3.35 C ATOM 432 CG1 VAL A 31 -3.573 -30.189 3.664 1.00 35.31 C ATOM 433 CG2 VAL A 31 -4.943 -28.705 5.153 1.00 61.25 C ATOM 0 H VAL A 31 -5.217 -26.509 3.874 1.00 12.44 H new ATOM 0 HA VAL A 31 -2.685 -27.632 3.931 1.00 14.30 H new ATOM 0 HB VAL A 31 -5.244 -29.009 3.058 1.00 3.35 H new ATOM 0 HG11 VAL A 31 -4.181 -31.035 3.984 1.00 35.31 H new ATOM 0 HG12 VAL A 31 -3.243 -30.348 2.637 1.00 35.31 H new ATOM 0 HG13 VAL A 31 -2.703 -30.100 4.315 1.00 35.31 H new ATOM 0 HG21 VAL A 31 -5.524 -29.579 5.448 1.00 61.25 H new ATOM 0 HG22 VAL A 31 -4.113 -28.570 5.846 1.00 61.25 H new ATOM 0 HG23 VAL A 31 -5.580 -27.821 5.174 1.00 61.25 H new ATOM 443 N PRO A 32 -4.044 -27.695 0.845 1.00 64.13 N ATOM 444 CA PRO A 32 -3.690 -27.777 -0.577 1.00 15.21 C ATOM 445 C PRO A 32 -2.818 -26.604 -1.031 1.00 21.04 C ATOM 446 O PRO A 32 -2.013 -26.754 -1.952 1.00 13.40 O ATOM 447 CB PRO A 32 -5.047 -27.753 -1.286 1.00 64.15 C ATOM 448 CG PRO A 32 -5.932 -27.023 -0.349 1.00 73.12 C ATOM 449 CD PRO A 32 -5.493 -27.453 1.024 1.00 53.53 C ATOM 0 HA PRO A 32 -3.099 -28.665 -0.799 1.00 15.21 H new ATOM 0 HB2 PRO A 32 -4.984 -27.248 -2.250 1.00 64.15 H new ATOM 0 HB3 PRO A 32 -5.414 -28.761 -1.478 1.00 64.15 H new ATOM 0 HG2 PRO A 32 -5.834 -25.945 -0.474 1.00 73.12 H new ATOM 0 HG3 PRO A 32 -6.979 -27.270 -0.523 1.00 73.12 H new ATOM 0 HD2 PRO A 32 -5.685 -26.682 1.770 1.00 53.53 H new ATOM 0 HD3 PRO A 32 -6.015 -28.351 1.353 1.00 53.53 H new ATOM 457 N LEU A 33 -2.986 -25.439 -0.395 1.00 51.45 N ATOM 458 CA LEU A 33 -2.160 -24.273 -0.714 1.00 71.25 C ATOM 459 C LEU A 33 -0.698 -24.627 -0.513 1.00 22.31 C ATOM 460 O LEU A 33 0.133 -24.406 -1.393 1.00 14.43 O ATOM 461 CB LEU A 33 -2.549 -23.062 0.164 1.00 44.31 C ATOM 462 CG LEU A 33 -1.852 -21.713 -0.149 1.00 71.04 C ATOM 463 CD1 LEU A 33 -0.431 -21.652 0.420 1.00 72.23 C ATOM 464 CD2 LEU A 33 -1.835 -21.446 -1.656 1.00 5.41 C ATOM 0 H LEU A 33 -3.679 -25.281 0.336 1.00 51.45 H new ATOM 0 HA LEU A 33 -2.327 -23.994 -1.754 1.00 71.25 H new ATOM 0 HB2 LEU A 33 -3.626 -22.915 0.080 1.00 44.31 H new ATOM 0 HB3 LEU A 33 -2.342 -23.317 1.203 1.00 44.31 H new ATOM 0 HG LEU A 33 -2.434 -20.932 0.341 1.00 71.04 H new ATOM 0 HD11 LEU A 33 0.018 -20.689 0.176 1.00 72.23 H new ATOM 0 HD12 LEU A 33 -0.467 -21.772 1.503 1.00 72.23 H new ATOM 0 HD13 LEU A 33 0.169 -22.452 -0.013 1.00 72.23 H new ATOM 0 HD21 LEU A 33 -1.341 -20.494 -1.851 1.00 5.41 H new ATOM 0 HD22 LEU A 33 -1.294 -22.246 -2.161 1.00 5.41 H new ATOM 0 HD23 LEU A 33 -2.858 -21.407 -2.030 1.00 5.41 H new ATOM 476 N LEU A 34 -0.397 -25.204 0.642 1.00 52.24 N ATOM 477 CA LEU A 34 0.955 -25.634 0.953 1.00 54.12 C ATOM 478 C LEU A 34 1.354 -26.805 0.075 1.00 50.24 C ATOM 479 O LEU A 34 2.481 -26.861 -0.413 1.00 13.00 O ATOM 480 CB LEU A 34 1.094 -26.005 2.437 1.00 2.21 C ATOM 481 CG LEU A 34 1.491 -24.847 3.367 1.00 0.45 C ATOM 482 CD1 LEU A 34 2.842 -24.272 2.956 1.00 63.44 C ATOM 483 CD2 LEU A 34 0.418 -23.756 3.373 1.00 74.02 C ATOM 0 H LEU A 34 -1.076 -25.385 1.381 1.00 52.24 H new ATOM 0 HA LEU A 34 1.627 -24.799 0.751 1.00 54.12 H new ATOM 0 HB2 LEU A 34 0.146 -26.418 2.782 1.00 2.21 H new ATOM 0 HB3 LEU A 34 1.839 -26.796 2.529 1.00 2.21 H new ATOM 0 HG LEU A 34 1.576 -25.239 4.380 1.00 0.45 H new ATOM 0 HD11 LEU A 34 3.108 -23.453 3.625 1.00 63.44 H new ATOM 0 HD12 LEU A 34 3.602 -25.051 3.016 1.00 63.44 H new ATOM 0 HD13 LEU A 34 2.783 -23.900 1.933 1.00 63.44 H new ATOM 0 HD21 LEU A 34 0.724 -22.949 4.039 1.00 74.02 H new ATOM 0 HD22 LEU A 34 0.291 -23.365 2.363 1.00 74.02 H new ATOM 0 HD23 LEU A 34 -0.526 -24.176 3.721 1.00 74.02 H new ATOM 495 N ALA A 35 0.431 -27.739 -0.126 1.00 22.33 N ATOM 496 CA ALA A 35 0.704 -28.910 -0.950 1.00 2.14 C ATOM 497 C ALA A 35 1.214 -28.493 -2.330 1.00 71.13 C ATOM 498 O ALA A 35 2.200 -29.033 -2.832 1.00 71.44 O ATOM 499 CB ALA A 35 -0.545 -29.776 -1.072 1.00 72.12 C ATOM 0 H ALA A 35 -0.509 -27.708 0.269 1.00 22.33 H new ATOM 0 HA ALA A 35 1.484 -29.499 -0.467 1.00 2.14 H new ATOM 0 HB1 ALA A 35 -0.325 -30.646 -1.690 1.00 72.12 H new ATOM 0 HB2 ALA A 35 -0.858 -30.104 -0.081 1.00 72.12 H new ATOM 0 HB3 ALA A 35 -1.346 -29.197 -1.532 1.00 72.12 H new ATOM 505 N LEU A 36 0.526 -27.530 -2.932 1.00 60.32 N ATOM 506 CA LEU A 36 0.907 -26.982 -4.233 1.00 5.22 C ATOM 507 C LEU A 36 2.173 -26.120 -4.117 1.00 32.42 C ATOM 508 O LEU A 36 3.117 -26.270 -4.895 1.00 24.53 O ATOM 509 CB LEU A 36 -0.281 -26.169 -4.804 1.00 43.41 C ATOM 510 CG LEU A 36 -0.159 -25.644 -6.256 1.00 11.12 C ATOM 511 CD1 LEU A 36 0.778 -24.438 -6.347 1.00 3.22 C ATOM 512 CD2 LEU A 36 0.300 -26.754 -7.200 1.00 70.30 C ATOM 0 H LEU A 36 -0.312 -27.106 -2.534 1.00 60.32 H new ATOM 0 HA LEU A 36 1.140 -27.798 -4.917 1.00 5.22 H new ATOM 0 HB2 LEU A 36 -1.173 -26.792 -4.746 1.00 43.41 H new ATOM 0 HB3 LEU A 36 -0.447 -25.313 -4.150 1.00 43.41 H new ATOM 0 HG LEU A 36 -1.151 -25.314 -6.565 1.00 11.12 H new ATOM 0 HD11 LEU A 36 0.836 -24.100 -7.382 1.00 3.22 H new ATOM 0 HD12 LEU A 36 0.394 -23.631 -5.723 1.00 3.22 H new ATOM 0 HD13 LEU A 36 1.772 -24.723 -6.002 1.00 3.22 H new ATOM 0 HD21 LEU A 36 0.378 -26.361 -8.214 1.00 70.30 H new ATOM 0 HD22 LEU A 36 1.273 -27.125 -6.879 1.00 70.30 H new ATOM 0 HD23 LEU A 36 -0.423 -27.569 -7.182 1.00 70.30 H new ATOM 524 N LEU A 37 2.177 -25.237 -3.129 1.00 22.00 N ATOM 525 CA LEU A 37 3.200 -24.197 -2.999 1.00 0.21 C ATOM 526 C LEU A 37 4.584 -24.790 -2.695 1.00 50.35 C ATOM 527 O LEU A 37 5.573 -24.421 -3.330 1.00 73.01 O ATOM 528 CB LEU A 37 2.754 -23.198 -1.907 1.00 72.43 C ATOM 529 CG LEU A 37 3.550 -21.882 -1.784 1.00 43.44 C ATOM 530 CD1 LEU A 37 4.810 -22.071 -0.941 1.00 4.05 C ATOM 531 CD2 LEU A 37 3.901 -21.327 -3.163 1.00 24.13 C ATOM 0 H LEU A 37 1.472 -25.217 -2.392 1.00 22.00 H new ATOM 0 HA LEU A 37 3.300 -23.673 -3.949 1.00 0.21 H new ATOM 0 HB2 LEU A 37 1.709 -22.945 -2.088 1.00 72.43 H new ATOM 0 HB3 LEU A 37 2.796 -23.709 -0.945 1.00 72.43 H new ATOM 0 HG LEU A 37 2.914 -21.158 -1.275 1.00 43.44 H new ATOM 0 HD11 LEU A 37 5.348 -21.125 -0.874 1.00 4.05 H new ATOM 0 HD12 LEU A 37 4.532 -22.402 0.060 1.00 4.05 H new ATOM 0 HD13 LEU A 37 5.450 -22.820 -1.406 1.00 4.05 H new ATOM 0 HD21 LEU A 37 4.462 -20.399 -3.050 1.00 24.13 H new ATOM 0 HD22 LEU A 37 4.507 -22.054 -3.704 1.00 24.13 H new ATOM 0 HD23 LEU A 37 2.985 -21.131 -3.720 1.00 24.13 H new ATOM 543 N THR A 38 4.644 -25.730 -1.758 1.00 10.21 N ATOM 544 CA THR A 38 5.926 -26.242 -1.261 1.00 5.04 C ATOM 545 C THR A 38 6.645 -27.098 -2.297 1.00 62.54 C ATOM 546 O THR A 38 7.808 -27.458 -2.110 1.00 50.11 O ATOM 547 CB THR A 38 5.754 -27.063 0.041 1.00 61.23 C ATOM 548 OG1 THR A 38 4.856 -28.160 -0.178 1.00 1.52 O ATOM 549 CG2 THR A 38 5.229 -26.195 1.178 1.00 31.33 C ATOM 0 H THR A 38 3.824 -26.155 -1.325 1.00 10.21 H new ATOM 0 HA THR A 38 6.534 -25.362 -1.050 1.00 5.04 H new ATOM 0 HB THR A 38 6.735 -27.445 0.323 1.00 61.23 H new ATOM 0 HG1 THR A 38 3.953 -27.816 -0.343 1.00 1.52 H new ATOM 0 HG21 THR A 38 5.119 -26.801 2.077 1.00 31.33 H new ATOM 0 HG22 THR A 38 5.931 -25.384 1.370 1.00 31.33 H new ATOM 0 HG23 THR A 38 4.261 -25.779 0.901 1.00 31.33 H new ATOM 557 N ARG A 39 5.955 -27.426 -3.384 1.00 14.25 N ATOM 558 CA ARG A 39 6.526 -28.284 -4.413 1.00 24.04 C ATOM 559 C ARG A 39 7.822 -27.698 -4.986 1.00 71.34 C ATOM 560 O ARG A 39 8.807 -28.417 -5.158 1.00 72.22 O ATOM 561 CB ARG A 39 5.508 -28.516 -5.533 1.00 54.52 C ATOM 562 CG ARG A 39 4.222 -29.187 -5.053 1.00 31.23 C ATOM 563 CD ARG A 39 3.426 -29.812 -6.195 1.00 22.04 C ATOM 564 NE ARG A 39 4.095 -30.998 -6.739 1.00 23.20 N ATOM 565 CZ ARG A 39 4.177 -32.172 -6.100 1.00 2.41 C ATOM 566 NH1 ARG A 39 3.632 -32.325 -4.896 1.00 33.22 N ATOM 567 NH2 ARG A 39 4.803 -33.193 -6.673 1.00 12.20 N ATOM 0 H ARG A 39 5.003 -27.112 -3.574 1.00 14.25 H new ATOM 0 HA ARG A 39 6.773 -29.239 -3.949 1.00 24.04 H new ATOM 0 HB2 ARG A 39 5.260 -27.559 -5.993 1.00 54.52 H new ATOM 0 HB3 ARG A 39 5.964 -29.133 -6.307 1.00 54.52 H new ATOM 0 HG2 ARG A 39 4.469 -29.958 -4.323 1.00 31.23 H new ATOM 0 HG3 ARG A 39 3.601 -28.451 -4.542 1.00 31.23 H new ATOM 0 HD2 ARG A 39 2.433 -30.086 -5.839 1.00 22.04 H new ATOM 0 HD3 ARG A 39 3.289 -29.076 -6.988 1.00 22.04 H new ATOM 0 HE ARG A 39 4.524 -30.924 -7.661 1.00 23.20 H new ATOM 0 HH11 ARG A 39 3.147 -31.545 -4.453 1.00 33.22 H new ATOM 0 HH12 ARG A 39 3.699 -33.223 -4.416 1.00 33.22 H new ATOM 0 HH21 ARG A 39 5.220 -33.082 -7.597 1.00 12.20 H new ATOM 0 HH22 ARG A 39 4.867 -34.088 -6.189 1.00 12.20 H new ATOM 581 N ARG A 40 7.817 -26.399 -5.296 1.00 53.35 N ATOM 582 CA ARG A 40 8.983 -25.751 -5.887 1.00 42.31 C ATOM 583 C ARG A 40 9.682 -24.785 -4.926 1.00 74.53 C ATOM 584 O ARG A 40 10.718 -24.218 -5.271 1.00 12.24 O ATOM 585 CB ARG A 40 8.543 -25.028 -7.149 1.00 64.35 C ATOM 586 CG ARG A 40 8.000 -25.983 -8.203 1.00 51.10 C ATOM 587 CD ARG A 40 7.412 -25.241 -9.384 1.00 53.50 C ATOM 588 NE ARG A 40 7.227 -26.125 -10.536 1.00 44.33 N ATOM 589 CZ ARG A 40 7.136 -25.719 -11.804 1.00 71.12 C ATOM 590 NH1 ARG A 40 7.241 -24.434 -12.116 1.00 73.41 N ATOM 591 NH2 ARG A 40 6.960 -26.618 -12.763 1.00 72.30 N ATOM 0 H ARG A 40 7.020 -25.780 -5.147 1.00 53.35 H new ATOM 0 HA ARG A 40 9.718 -26.521 -6.122 1.00 42.31 H new ATOM 0 HB2 ARG A 40 7.777 -24.295 -6.897 1.00 64.35 H new ATOM 0 HB3 ARG A 40 9.388 -24.477 -7.562 1.00 64.35 H new ATOM 0 HG2 ARG A 40 8.801 -26.638 -8.547 1.00 51.10 H new ATOM 0 HG3 ARG A 40 7.236 -26.620 -7.757 1.00 51.10 H new ATOM 0 HD2 ARG A 40 6.454 -24.806 -9.101 1.00 53.50 H new ATOM 0 HD3 ARG A 40 8.068 -24.415 -9.659 1.00 53.50 H new ATOM 0 HE ARG A 40 7.163 -27.127 -10.356 1.00 44.33 H new ATOM 0 HH11 ARG A 40 7.393 -23.742 -11.382 1.00 73.41 H new ATOM 0 HH12 ARG A 40 7.169 -24.138 -13.090 1.00 73.41 H new ATOM 0 HH21 ARG A 40 6.896 -27.608 -12.528 1.00 72.30 H new ATOM 0 HH22 ARG A 40 6.889 -26.319 -13.736 1.00 72.30 H new ATOM 605 N LEU A 41 9.127 -24.595 -3.734 1.00 34.24 N ATOM 606 CA LEU A 41 9.770 -23.751 -2.719 1.00 61.12 C ATOM 607 C LEU A 41 10.458 -24.609 -1.666 1.00 73.41 C ATOM 608 O LEU A 41 9.897 -25.601 -1.195 1.00 54.35 O ATOM 609 CB LEU A 41 8.765 -22.803 -2.035 1.00 3.20 C ATOM 610 CG LEU A 41 8.365 -21.559 -2.845 1.00 25.42 C ATOM 611 CD1 LEU A 41 7.342 -21.911 -3.914 1.00 35.11 C ATOM 612 CD2 LEU A 41 7.838 -20.456 -1.924 1.00 65.23 C ATOM 0 H LEU A 41 8.241 -25.008 -3.443 1.00 34.24 H new ATOM 0 HA LEU A 41 10.512 -23.142 -3.235 1.00 61.12 H new ATOM 0 HB2 LEU A 41 7.862 -23.367 -1.801 1.00 3.20 H new ATOM 0 HB3 LEU A 41 9.190 -22.475 -1.087 1.00 3.20 H new ATOM 0 HG LEU A 41 9.256 -21.182 -3.346 1.00 25.42 H new ATOM 0 HD11 LEU A 41 7.076 -21.014 -4.473 1.00 35.11 H new ATOM 0 HD12 LEU A 41 7.766 -22.649 -4.594 1.00 35.11 H new ATOM 0 HD13 LEU A 41 6.450 -22.323 -3.442 1.00 35.11 H new ATOM 0 HD21 LEU A 41 7.561 -19.586 -2.520 1.00 65.23 H new ATOM 0 HD22 LEU A 41 6.963 -20.819 -1.385 1.00 65.23 H new ATOM 0 HD23 LEU A 41 8.613 -20.176 -1.211 1.00 65.23 H new ATOM 624 N THR A 42 11.672 -24.218 -1.307 1.00 74.31 N ATOM 625 CA THR A 42 12.426 -24.890 -0.256 1.00 41.11 C ATOM 626 C THR A 42 11.791 -24.620 1.106 1.00 41.00 C ATOM 627 O THR A 42 11.005 -23.675 1.260 1.00 32.31 O ATOM 628 CB THR A 42 13.890 -24.405 -0.237 1.00 51.30 C ATOM 629 OG1 THR A 42 13.935 -22.995 0.035 1.00 51.23 O ATOM 630 CG2 THR A 42 14.573 -24.689 -1.569 1.00 74.30 C ATOM 0 H THR A 42 12.161 -23.431 -1.733 1.00 74.31 H new ATOM 0 HA THR A 42 12.408 -25.960 -0.462 1.00 41.11 H new ATOM 0 HB THR A 42 14.419 -24.946 0.548 1.00 51.30 H new ATOM 0 HG1 THR A 42 14.867 -22.694 0.047 1.00 51.23 H new ATOM 0 HG21 THR A 42 15.604 -24.338 -1.531 1.00 74.30 H new ATOM 0 HG22 THR A 42 14.562 -25.762 -1.762 1.00 74.30 H new ATOM 0 HG23 THR A 42 14.042 -24.171 -2.368 1.00 74.30 H new ATOM 638 N ASN A 43 12.140 -25.432 2.101 1.00 61.44 N ATOM 639 CA ASN A 43 11.595 -25.269 3.446 1.00 23.11 C ATOM 640 C ASN A 43 12.011 -23.909 4.017 1.00 72.30 C ATOM 641 O ASN A 43 11.258 -23.264 4.760 1.00 71.12 O ATOM 642 CB ASN A 43 12.053 -26.409 4.368 1.00 34.35 C ATOM 643 CG ASN A 43 11.191 -26.531 5.616 1.00 3.52 C ATOM 644 OD1 ASN A 43 11.428 -25.862 6.617 1.00 54.24 O ATOM 645 ND2 ASN A 43 10.189 -27.398 5.568 1.00 61.42 N ATOM 0 H ASN A 43 12.796 -26.207 2.002 1.00 61.44 H new ATOM 0 HA ASN A 43 10.507 -25.308 3.386 1.00 23.11 H new ATOM 0 HB2 ASN A 43 12.026 -27.350 3.818 1.00 34.35 H new ATOM 0 HB3 ASN A 43 13.089 -26.241 4.661 1.00 34.35 H new ATOM 0 HD21 ASN A 43 9.586 -27.526 6.380 1.00 61.42 H new ATOM 0 HD22 ASN A 43 10.022 -27.937 4.719 1.00 61.42 H new ATOM 652 N ASP A 44 13.205 -23.460 3.640 1.00 0.21 N ATOM 653 CA ASP A 44 13.694 -22.145 4.050 1.00 22.12 C ATOM 654 C ASP A 44 12.846 -21.041 3.430 1.00 42.40 C ATOM 655 O ASP A 44 12.510 -20.061 4.097 1.00 60.34 O ATOM 656 CB ASP A 44 15.165 -21.956 3.661 1.00 1.30 C ATOM 657 CG ASP A 44 16.101 -22.800 4.508 1.00 22.22 C ATOM 658 OD1 ASP A 44 16.490 -22.346 5.605 1.00 4.40 O ATOM 659 OD2 ASP A 44 16.450 -23.920 4.086 1.00 41.24 O ATOM 0 H ASP A 44 13.852 -23.986 3.052 1.00 0.21 H new ATOM 0 HA ASP A 44 13.615 -22.085 5.135 1.00 22.12 H new ATOM 0 HB2 ASP A 44 15.296 -22.216 2.611 1.00 1.30 H new ATOM 0 HB3 ASP A 44 15.433 -20.905 3.765 1.00 1.30 H new ATOM 664 N GLU A 45 12.496 -21.201 2.156 1.00 2.43 N ATOM 665 CA GLU A 45 11.651 -20.225 1.469 1.00 12.41 C ATOM 666 C GLU A 45 10.265 -20.131 2.121 1.00 74.32 C ATOM 667 O GLU A 45 9.807 -19.033 2.461 1.00 52.21 O ATOM 668 CB GLU A 45 11.545 -20.562 -0.025 1.00 10.44 C ATOM 669 CG GLU A 45 12.814 -20.228 -0.802 1.00 2.34 C ATOM 670 CD GLU A 45 12.738 -20.646 -2.260 1.00 2.35 C ATOM 671 OE1 GLU A 45 12.902 -21.856 -2.531 1.00 35.01 O ATOM 672 OE2 GLU A 45 12.511 -19.773 -3.126 1.00 64.14 O ATOM 0 H GLU A 45 12.782 -21.993 1.580 1.00 2.43 H new ATOM 0 HA GLU A 45 12.119 -19.245 1.562 1.00 12.41 H new ATOM 0 HB2 GLU A 45 11.325 -21.624 -0.138 1.00 10.44 H new ATOM 0 HB3 GLU A 45 10.707 -20.015 -0.457 1.00 10.44 H new ATOM 0 HG2 GLU A 45 12.997 -19.155 -0.745 1.00 2.34 H new ATOM 0 HG3 GLU A 45 13.664 -20.722 -0.331 1.00 2.34 H new ATOM 679 N ILE A 46 9.605 -21.274 2.323 1.00 40.25 N ATOM 680 CA ILE A 46 8.294 -21.272 2.973 1.00 2.42 C ATOM 681 C ILE A 46 8.395 -20.617 4.357 1.00 23.22 C ATOM 682 O ILE A 46 7.506 -19.853 4.749 1.00 2.24 O ATOM 683 CB ILE A 46 7.654 -22.697 3.063 1.00 34.32 C ATOM 684 CG1 ILE A 46 6.383 -22.712 3.944 1.00 14.42 C ATOM 685 CG2 ILE A 46 8.652 -23.726 3.560 1.00 60.40 C ATOM 686 CD1 ILE A 46 6.636 -22.925 5.434 1.00 5.20 C ATOM 0 H ILE A 46 9.949 -22.195 2.052 1.00 40.25 H new ATOM 0 HA ILE A 46 7.623 -20.683 2.348 1.00 2.42 H new ATOM 0 HB ILE A 46 7.358 -22.966 2.049 1.00 34.32 H new ATOM 0 HG12 ILE A 46 5.856 -21.767 3.811 1.00 14.42 H new ATOM 0 HG13 ILE A 46 5.720 -23.500 3.587 1.00 14.42 H new ATOM 0 HG21 ILE A 46 8.172 -24.704 3.610 1.00 60.40 H new ATOM 0 HG22 ILE A 46 9.499 -23.772 2.875 1.00 60.40 H new ATOM 0 HG23 ILE A 46 9.003 -23.443 4.552 1.00 60.40 H new ATOM 0 HD11 ILE A 46 5.686 -22.920 5.969 1.00 5.20 H new ATOM 0 HD12 ILE A 46 7.133 -23.883 5.585 1.00 5.20 H new ATOM 0 HD13 ILE A 46 7.270 -22.124 5.814 1.00 5.20 H new ATOM 698 N LYS A 47 9.479 -20.907 5.094 1.00 61.14 N ATOM 699 CA LYS A 47 9.729 -20.212 6.360 1.00 33.02 C ATOM 700 C LYS A 47 9.781 -18.701 6.143 1.00 44.41 C ATOM 701 O LYS A 47 9.131 -17.938 6.858 1.00 14.11 O ATOM 702 CB LYS A 47 11.055 -20.638 7.009 1.00 63.24 C ATOM 703 CG LYS A 47 11.069 -22.031 7.625 1.00 43.11 C ATOM 704 CD LYS A 47 12.268 -22.189 8.562 1.00 45.04 C ATOM 705 CE LYS A 47 12.424 -23.611 9.091 1.00 73.15 C ATOM 706 NZ LYS A 47 12.918 -24.541 8.044 1.00 75.33 N ATOM 0 H LYS A 47 10.181 -21.603 4.840 1.00 61.14 H new ATOM 0 HA LYS A 47 8.906 -20.482 7.021 1.00 33.02 H new ATOM 0 HB2 LYS A 47 11.841 -20.586 6.255 1.00 63.24 H new ATOM 0 HB3 LYS A 47 11.308 -19.915 7.784 1.00 63.24 H new ATOM 0 HG2 LYS A 47 10.144 -22.201 8.176 1.00 43.11 H new ATOM 0 HG3 LYS A 47 11.114 -22.783 6.837 1.00 43.11 H new ATOM 0 HD2 LYS A 47 13.177 -21.902 8.033 1.00 45.04 H new ATOM 0 HD3 LYS A 47 12.159 -21.504 9.403 1.00 45.04 H new ATOM 0 HE2 LYS A 47 13.117 -23.611 9.933 1.00 73.15 H new ATOM 0 HE3 LYS A 47 11.465 -23.965 9.468 1.00 73.15 H new ATOM 0 HZ1 LYS A 47 13.558 -25.239 8.474 1.00 75.33 H new ATOM 0 HZ2 LYS A 47 12.112 -25.033 7.608 1.00 75.33 H new ATOM 0 HZ3 LYS A 47 13.431 -24.003 7.316 1.00 75.33 H new ATOM 720 N ALA A 48 10.571 -18.281 5.154 1.00 32.32 N ATOM 721 CA ALA A 48 10.774 -16.863 4.859 1.00 3.50 C ATOM 722 C ALA A 48 9.438 -16.161 4.637 1.00 23.32 C ATOM 723 O ALA A 48 9.245 -15.015 5.058 1.00 52.32 O ATOM 724 CB ALA A 48 11.680 -16.698 3.645 1.00 43.35 C ATOM 0 H ALA A 48 11.085 -18.911 4.538 1.00 32.32 H new ATOM 0 HA ALA A 48 11.260 -16.398 5.717 1.00 3.50 H new ATOM 0 HB1 ALA A 48 11.822 -15.637 3.438 1.00 43.35 H new ATOM 0 HB2 ALA A 48 12.646 -17.160 3.847 1.00 43.35 H new ATOM 0 HB3 ALA A 48 11.221 -17.178 2.781 1.00 43.35 H new ATOM 730 N ILE A 49 8.516 -16.858 3.975 1.00 73.51 N ATOM 731 CA ILE A 49 7.161 -16.342 3.782 1.00 11.34 C ATOM 732 C ILE A 49 6.502 -16.055 5.129 1.00 32.52 C ATOM 733 O ILE A 49 5.884 -15.003 5.322 1.00 25.45 O ATOM 734 CB ILE A 49 6.277 -17.327 2.969 1.00 75.31 C ATOM 735 CG1 ILE A 49 6.873 -17.541 1.570 1.00 71.25 C ATOM 736 CG2 ILE A 49 4.836 -16.817 2.868 1.00 22.32 C ATOM 737 CD1 ILE A 49 6.990 -16.263 0.764 1.00 74.30 C ATOM 0 H ILE A 49 8.681 -17.777 3.565 1.00 73.51 H new ATOM 0 HA ILE A 49 7.247 -15.416 3.213 1.00 11.34 H new ATOM 0 HB ILE A 49 6.258 -18.283 3.493 1.00 75.31 H new ATOM 0 HG12 ILE A 49 7.861 -17.991 1.669 1.00 71.25 H new ATOM 0 HG13 ILE A 49 6.252 -18.251 1.023 1.00 71.25 H new ATOM 0 HG21 ILE A 49 4.239 -17.525 2.294 1.00 22.32 H new ATOM 0 HG22 ILE A 49 4.415 -16.715 3.868 1.00 22.32 H new ATOM 0 HG23 ILE A 49 4.827 -15.848 2.370 1.00 22.32 H new ATOM 0 HD11 ILE A 49 7.418 -16.487 -0.213 1.00 74.30 H new ATOM 0 HD12 ILE A 49 6.001 -15.823 0.635 1.00 74.30 H new ATOM 0 HD13 ILE A 49 7.635 -15.559 1.290 1.00 74.30 H new ATOM 749 N ALA A 50 6.675 -16.973 6.075 1.00 21.02 N ATOM 750 CA ALA A 50 6.085 -16.828 7.400 1.00 1.35 C ATOM 751 C ALA A 50 6.694 -15.627 8.105 1.00 3.30 C ATOM 752 O ALA A 50 5.988 -14.773 8.634 1.00 40.12 O ATOM 753 CB ALA A 50 6.296 -18.093 8.226 1.00 61.30 C ATOM 0 H ALA A 50 7.220 -17.826 5.948 1.00 21.02 H new ATOM 0 HA ALA A 50 5.012 -16.670 7.291 1.00 1.35 H new ATOM 0 HB1 ALA A 50 5.848 -17.963 9.211 1.00 61.30 H new ATOM 0 HB2 ALA A 50 5.827 -18.939 7.723 1.00 61.30 H new ATOM 0 HB3 ALA A 50 7.364 -18.282 8.335 1.00 61.30 H new ATOM 759 N GLU A 51 8.018 -15.556 8.047 1.00 14.35 N ATOM 760 CA GLU A 51 8.790 -14.525 8.731 1.00 45.45 C ATOM 761 C GLU A 51 8.340 -13.122 8.322 1.00 61.23 C ATOM 762 O GLU A 51 8.280 -12.208 9.152 1.00 40.34 O ATOM 763 CB GLU A 51 10.275 -14.726 8.404 1.00 4.25 C ATOM 764 CG GLU A 51 10.850 -16.037 8.936 1.00 61.30 C ATOM 765 CD GLU A 51 11.250 -15.951 10.398 1.00 30.31 C ATOM 766 OE1 GLU A 51 12.124 -15.123 10.732 1.00 71.41 O ATOM 767 OE2 GLU A 51 10.699 -16.708 11.224 1.00 71.15 O ATOM 0 H GLU A 51 8.590 -16.216 7.521 1.00 14.35 H new ATOM 0 HA GLU A 51 8.627 -14.615 9.805 1.00 45.45 H new ATOM 0 HB2 GLU A 51 10.407 -14.694 7.322 1.00 4.25 H new ATOM 0 HB3 GLU A 51 10.845 -13.895 8.819 1.00 4.25 H new ATOM 0 HG2 GLU A 51 10.112 -16.830 8.811 1.00 61.30 H new ATOM 0 HG3 GLU A 51 11.720 -16.315 8.341 1.00 61.30 H new ATOM 774 N ASP A 52 8.027 -12.954 7.041 1.00 54.12 N ATOM 775 CA ASP A 52 7.576 -11.664 6.528 1.00 62.53 C ATOM 776 C ASP A 52 6.123 -11.405 6.933 1.00 5.34 C ATOM 777 O ASP A 52 5.783 -10.326 7.429 1.00 13.14 O ATOM 778 CB ASP A 52 7.714 -11.611 4.996 1.00 51.25 C ATOM 779 CG ASP A 52 7.487 -10.210 4.439 1.00 13.15 C ATOM 780 OD1 ASP A 52 8.440 -9.397 4.441 1.00 55.20 O ATOM 781 OD2 ASP A 52 6.356 -9.914 3.995 1.00 61.55 O ATOM 0 H ASP A 52 8.077 -13.693 6.340 1.00 54.12 H new ATOM 0 HA ASP A 52 8.205 -10.887 6.961 1.00 62.53 H new ATOM 0 HB2 ASP A 52 8.708 -11.955 4.712 1.00 51.25 H new ATOM 0 HB3 ASP A 52 6.998 -12.298 4.546 1.00 51.25 H new ATOM 786 N LEU A 53 5.271 -12.414 6.748 1.00 34.00 N ATOM 787 CA LEU A 53 3.837 -12.278 6.996 1.00 31.15 C ATOM 788 C LEU A 53 3.522 -12.081 8.480 1.00 63.44 C ATOM 789 O LEU A 53 2.552 -11.397 8.823 1.00 24.44 O ATOM 790 CB LEU A 53 3.069 -13.490 6.450 1.00 23.10 C ATOM 791 CG LEU A 53 3.094 -13.642 4.919 1.00 30.23 C ATOM 792 CD1 LEU A 53 2.264 -14.845 4.481 1.00 73.53 C ATOM 793 CD2 LEU A 53 2.602 -12.366 4.235 1.00 2.44 C ATOM 0 H LEU A 53 5.553 -13.340 6.425 1.00 34.00 H new ATOM 0 HA LEU A 53 3.510 -11.382 6.468 1.00 31.15 H new ATOM 0 HB2 LEU A 53 3.483 -14.394 6.896 1.00 23.10 H new ATOM 0 HB3 LEU A 53 2.031 -13.420 6.776 1.00 23.10 H new ATOM 0 HG LEU A 53 4.127 -13.812 4.614 1.00 30.23 H new ATOM 0 HD11 LEU A 53 2.296 -14.933 3.395 1.00 73.53 H new ATOM 0 HD12 LEU A 53 2.671 -15.751 4.931 1.00 73.53 H new ATOM 0 HD13 LEU A 53 1.232 -14.712 4.804 1.00 73.53 H new ATOM 0 HD21 LEU A 53 2.629 -12.499 3.154 1.00 2.44 H new ATOM 0 HD22 LEU A 53 1.580 -12.156 4.549 1.00 2.44 H new ATOM 0 HD23 LEU A 53 3.246 -11.532 4.514 1.00 2.44 H new ATOM 805 N GLU A 54 4.339 -12.664 9.360 1.00 42.35 N ATOM 806 CA GLU A 54 4.122 -12.532 10.803 1.00 71.35 C ATOM 807 C GLU A 54 4.169 -11.065 11.216 1.00 51.43 C ATOM 808 O GLU A 54 3.497 -10.654 12.166 1.00 2.04 O ATOM 809 CB GLU A 54 5.159 -13.327 11.620 1.00 71.34 C ATOM 810 CG GLU A 54 5.061 -14.841 11.464 1.00 45.42 C ATOM 811 CD GLU A 54 5.818 -15.587 12.552 1.00 2.40 C ATOM 812 OE1 GLU A 54 7.068 -15.558 12.546 1.00 25.13 O ATOM 813 OE2 GLU A 54 5.170 -16.194 13.433 1.00 1.20 O ATOM 0 H GLU A 54 5.150 -13.227 9.103 1.00 42.35 H new ATOM 0 HA GLU A 54 3.136 -12.944 11.016 1.00 71.35 H new ATOM 0 HB2 GLU A 54 6.158 -13.008 11.324 1.00 71.34 H new ATOM 0 HB3 GLU A 54 5.043 -13.075 12.674 1.00 71.34 H new ATOM 0 HG2 GLU A 54 4.013 -15.138 11.486 1.00 45.42 H new ATOM 0 HG3 GLU A 54 5.454 -15.129 10.489 1.00 45.42 H new ATOM 820 N LYS A 55 4.958 -10.283 10.490 1.00 30.13 N ATOM 821 CA LYS A 55 5.102 -8.864 10.783 1.00 60.30 C ATOM 822 C LYS A 55 3.879 -8.090 10.292 1.00 11.44 C ATOM 823 O LYS A 55 3.465 -7.112 10.919 1.00 63.12 O ATOM 824 CB LYS A 55 6.388 -8.316 10.147 1.00 20.00 C ATOM 825 CG LYS A 55 6.721 -6.883 10.563 1.00 21.43 C ATOM 826 CD LYS A 55 6.739 -6.725 12.085 1.00 14.14 C ATOM 827 CE LYS A 55 7.321 -5.383 12.517 1.00 75.02 C ATOM 828 NZ LYS A 55 8.769 -5.286 12.197 1.00 63.03 N ATOM 0 H LYS A 55 5.508 -10.608 9.694 1.00 30.13 H new ATOM 0 HA LYS A 55 5.173 -8.736 11.863 1.00 60.30 H new ATOM 0 HB2 LYS A 55 7.221 -8.965 10.417 1.00 20.00 H new ATOM 0 HB3 LYS A 55 6.291 -8.356 9.062 1.00 20.00 H new ATOM 0 HG2 LYS A 55 7.693 -6.603 10.157 1.00 21.43 H new ATOM 0 HG3 LYS A 55 5.987 -6.200 10.135 1.00 21.43 H new ATOM 0 HD2 LYS A 55 5.724 -6.820 12.471 1.00 14.14 H new ATOM 0 HD3 LYS A 55 7.324 -7.532 12.526 1.00 14.14 H new ATOM 0 HE2 LYS A 55 6.783 -4.576 12.020 1.00 75.02 H new ATOM 0 HE3 LYS A 55 7.175 -5.251 13.589 1.00 75.02 H new ATOM 0 HZ1 LYS A 55 9.187 -4.489 12.719 1.00 63.03 H new ATOM 0 HZ2 LYS A 55 9.245 -6.169 12.472 1.00 63.03 H new ATOM 0 HZ3 LYS A 55 8.889 -5.132 11.176 1.00 63.03 H new ATOM 842 N ARG A 56 3.290 -8.544 9.186 1.00 63.50 N ATOM 843 CA ARG A 56 2.092 -7.905 8.638 1.00 74.04 C ATOM 844 C ARG A 56 0.934 -8.076 9.621 1.00 1.10 C ATOM 845 O ARG A 56 0.315 -7.106 10.065 1.00 45.04 O ATOM 846 CB ARG A 56 1.697 -8.541 7.294 1.00 13.44 C ATOM 847 CG ARG A 56 2.858 -8.829 6.345 1.00 60.23 C ATOM 848 CD ARG A 56 3.548 -7.570 5.839 1.00 20.44 C ATOM 849 NE ARG A 56 4.525 -7.902 4.800 1.00 20.11 N ATOM 850 CZ ARG A 56 4.844 -7.117 3.774 1.00 51.15 C ATOM 851 NH1 ARG A 56 4.400 -5.866 3.713 1.00 31.34 N ATOM 852 NH2 ARG A 56 5.645 -7.587 2.827 1.00 24.14 N ATOM 0 H ARG A 56 3.621 -9.348 8.653 1.00 63.50 H new ATOM 0 HA ARG A 56 2.308 -6.848 8.480 1.00 74.04 H new ATOM 0 HB2 ARG A 56 1.171 -9.475 7.493 1.00 13.44 H new ATOM 0 HB3 ARG A 56 0.992 -7.879 6.790 1.00 13.44 H new ATOM 0 HG2 ARG A 56 3.589 -9.455 6.856 1.00 60.23 H new ATOM 0 HG3 ARG A 56 2.489 -9.400 5.493 1.00 60.23 H new ATOM 0 HD2 ARG A 56 2.807 -6.877 5.441 1.00 20.44 H new ATOM 0 HD3 ARG A 56 4.046 -7.064 6.666 1.00 20.44 H new ATOM 0 HE ARG A 56 4.997 -8.804 4.868 1.00 20.11 H new ATOM 0 HH11 ARG A 56 3.808 -5.498 4.458 1.00 31.34 H new ATOM 0 HH12 ARG A 56 4.651 -5.274 2.922 1.00 31.34 H new ATOM 0 HH21 ARG A 56 6.007 -8.538 2.891 1.00 24.14 H new ATOM 0 HH22 ARG A 56 5.898 -6.997 2.034 1.00 24.14 H new ATOM 866 N ALA A 57 0.681 -9.337 9.969 1.00 75.53 N ATOM 867 CA ALA A 57 -0.382 -9.709 10.895 1.00 40.24 C ATOM 868 C ALA A 57 -0.277 -11.198 11.221 1.00 71.25 C ATOM 869 O ALA A 57 -0.817 -12.043 10.508 1.00 53.35 O ATOM 870 CB ALA A 57 -1.756 -9.376 10.311 1.00 34.42 C ATOM 0 H ALA A 57 1.212 -10.132 9.613 1.00 75.53 H new ATOM 0 HA ALA A 57 -0.267 -9.135 11.814 1.00 40.24 H new ATOM 0 HB1 ALA A 57 -2.532 -9.663 11.020 1.00 34.42 H new ATOM 0 HB2 ALA A 57 -1.819 -8.305 10.117 1.00 34.42 H new ATOM 0 HB3 ALA A 57 -1.897 -9.922 9.378 1.00 34.42 H new ATOM 876 N HIS A 58 0.455 -11.512 12.282 1.00 23.12 N ATOM 877 CA HIS A 58 0.697 -12.901 12.661 1.00 21.31 C ATOM 878 C HIS A 58 -0.548 -13.539 13.277 1.00 2.53 C ATOM 879 O HIS A 58 -0.919 -13.238 14.413 1.00 62.41 O ATOM 880 CB HIS A 58 1.897 -13.006 13.619 1.00 52.13 C ATOM 881 CG HIS A 58 1.853 -12.058 14.784 1.00 71.23 C ATOM 882 ND1 HIS A 58 2.347 -10.769 14.720 1.00 12.41 N ATOM 883 CD2 HIS A 58 1.392 -12.219 16.046 1.00 64.10 C ATOM 884 CE1 HIS A 58 2.190 -10.183 15.894 1.00 73.52 C ATOM 885 NE2 HIS A 58 1.611 -11.040 16.713 1.00 44.32 N ATOM 0 H HIS A 58 0.892 -10.825 12.896 1.00 23.12 H new ATOM 0 HA HIS A 58 0.935 -13.454 11.752 1.00 21.31 H new ATOM 0 HB2 HIS A 58 1.953 -14.026 13.999 1.00 52.13 H new ATOM 0 HB3 HIS A 58 2.812 -12.825 13.055 1.00 52.13 H new ATOM 0 HD1 HIS A 58 2.767 -10.338 13.896 1.00 12.41 H new ATOM 0 HD2 HIS A 58 0.936 -13.110 16.453 1.00 64.10 H new ATOM 0 HE1 HIS A 58 2.485 -9.174 16.141 1.00 73.52 H new ATOM 894 N PHE A 59 -1.202 -14.394 12.496 1.00 45.53 N ATOM 895 CA PHE A 59 -2.311 -15.208 12.978 1.00 61.11 C ATOM 896 C PHE A 59 -1.853 -16.660 13.113 1.00 4.21 C ATOM 897 O PHE A 59 -1.654 -17.357 12.118 1.00 51.30 O ATOM 898 CB PHE A 59 -3.518 -15.112 12.033 1.00 63.21 C ATOM 899 CG PHE A 59 -4.139 -13.737 11.972 1.00 13.13 C ATOM 900 CD1 PHE A 59 -4.927 -13.272 13.016 1.00 55.13 C ATOM 901 CD2 PHE A 59 -3.940 -12.914 10.872 1.00 72.53 C ATOM 902 CE1 PHE A 59 -5.500 -12.015 12.965 1.00 72.34 C ATOM 903 CE2 PHE A 59 -4.510 -11.656 10.817 1.00 53.22 C ATOM 904 CZ PHE A 59 -5.293 -11.207 11.864 1.00 32.55 C ATOM 0 H PHE A 59 -0.977 -14.541 11.512 1.00 45.53 H new ATOM 0 HA PHE A 59 -2.623 -14.834 13.953 1.00 61.11 H new ATOM 0 HB2 PHE A 59 -3.206 -15.404 11.030 1.00 63.21 H new ATOM 0 HB3 PHE A 59 -4.275 -15.828 12.352 1.00 63.21 H new ATOM 0 HD1 PHE A 59 -5.094 -13.900 13.879 1.00 55.13 H new ATOM 0 HD2 PHE A 59 -3.332 -13.261 10.049 1.00 72.53 H new ATOM 0 HE1 PHE A 59 -6.109 -11.665 13.785 1.00 72.34 H new ATOM 0 HE2 PHE A 59 -4.344 -11.024 9.957 1.00 53.22 H new ATOM 0 HZ PHE A 59 -5.742 -10.226 11.821 1.00 32.55 H new ATOM 914 N ASP A 60 -1.679 -17.100 14.350 1.00 3.23 N ATOM 915 CA ASP A 60 -1.132 -18.425 14.652 1.00 22.13 C ATOM 916 C ASP A 60 -2.015 -19.549 14.107 1.00 20.41 C ATOM 917 O ASP A 60 -1.523 -20.625 13.764 1.00 31.31 O ATOM 918 CB ASP A 60 -0.979 -18.588 16.170 1.00 1.13 C ATOM 919 CG ASP A 60 -2.309 -18.457 16.901 1.00 72.32 C ATOM 920 OD1 ASP A 60 -2.914 -17.362 16.853 1.00 21.21 O ATOM 921 OD2 ASP A 60 -2.762 -19.444 17.517 1.00 64.02 O ATOM 0 H ASP A 60 -1.912 -16.552 15.178 1.00 3.23 H new ATOM 0 HA ASP A 60 -0.160 -18.498 14.164 1.00 22.13 H new ATOM 0 HB2 ASP A 60 -0.542 -19.563 16.387 1.00 1.13 H new ATOM 0 HB3 ASP A 60 -0.284 -17.837 16.546 1.00 1.13 H new ATOM 926 N HIS A 61 -3.315 -19.294 14.011 1.00 13.11 N ATOM 927 CA HIS A 61 -4.273 -20.335 13.639 1.00 64.41 C ATOM 928 C HIS A 61 -4.242 -20.627 12.135 1.00 11.03 C ATOM 929 O HIS A 61 -4.889 -21.566 11.665 1.00 35.12 O ATOM 930 CB HIS A 61 -5.686 -19.947 14.089 1.00 74.10 C ATOM 931 CG HIS A 61 -5.810 -19.776 15.578 1.00 43.02 C ATOM 932 ND1 HIS A 61 -6.084 -18.567 16.177 1.00 14.13 N ATOM 933 CD2 HIS A 61 -5.679 -20.671 16.589 1.00 43.44 C ATOM 934 CE1 HIS A 61 -6.117 -18.725 17.488 1.00 75.35 C ATOM 935 NE2 HIS A 61 -5.876 -19.992 17.767 1.00 64.30 N ATOM 0 H HIS A 61 -3.731 -18.379 14.185 1.00 13.11 H new ATOM 0 HA HIS A 61 -3.981 -21.251 14.152 1.00 64.41 H new ATOM 0 HB2 HIS A 61 -5.974 -19.017 13.598 1.00 74.10 H new ATOM 0 HB3 HIS A 61 -6.388 -20.712 13.758 1.00 74.10 H new ATOM 0 HD2 HIS A 61 -5.460 -21.724 16.487 1.00 43.44 H new ATOM 0 HE1 HIS A 61 -6.309 -17.946 18.211 1.00 75.35 H new ATOM 0 HE2 HIS A 61 -5.842 -20.399 18.701 1.00 64.30 H new ATOM 944 N ILE A 62 -3.491 -19.826 11.380 1.00 73.14 N ATOM 945 CA ILE A 62 -3.323 -20.059 9.941 1.00 65.44 C ATOM 946 C ILE A 62 -1.865 -20.393 9.624 1.00 41.11 C ATOM 947 O ILE A 62 -1.460 -20.371 8.460 1.00 32.13 O ATOM 948 CB ILE A 62 -3.769 -18.843 9.076 1.00 10.35 C ATOM 949 CG1 ILE A 62 -2.920 -17.599 9.388 1.00 42.10 C ATOM 950 CG2 ILE A 62 -5.256 -18.545 9.277 1.00 43.04 C ATOM 951 CD1 ILE A 62 -3.236 -16.403 8.515 1.00 32.42 C ATOM 0 H ILE A 62 -2.990 -19.012 11.737 1.00 73.14 H new ATOM 0 HA ILE A 62 -3.968 -20.900 9.687 1.00 65.44 H new ATOM 0 HB ILE A 62 -3.612 -19.105 8.030 1.00 10.35 H new ATOM 0 HG12 ILE A 62 -3.068 -17.323 10.432 1.00 42.10 H new ATOM 0 HG13 ILE A 62 -1.866 -17.852 9.272 1.00 42.10 H new ATOM 0 HG21 ILE A 62 -5.542 -17.692 8.662 1.00 43.04 H new ATOM 0 HG22 ILE A 62 -5.844 -19.415 8.986 1.00 43.04 H new ATOM 0 HG23 ILE A 62 -5.442 -18.315 10.326 1.00 43.04 H new ATOM 0 HD11 ILE A 62 -2.596 -15.567 8.797 1.00 32.42 H new ATOM 0 HD12 ILE A 62 -3.060 -16.659 7.470 1.00 32.42 H new ATOM 0 HD13 ILE A 62 -4.280 -16.121 8.648 1.00 32.42 H new ATOM 963 N ASP A 63 -1.093 -20.715 10.669 1.00 1.43 N ATOM 964 CA ASP A 63 0.357 -20.951 10.546 1.00 15.25 C ATOM 965 C ASP A 63 0.699 -21.825 9.334 1.00 43.10 C ATOM 966 O ASP A 63 0.254 -22.970 9.220 1.00 22.32 O ATOM 967 CB ASP A 63 0.922 -21.598 11.817 1.00 62.22 C ATOM 968 CG ASP A 63 2.439 -21.776 11.750 1.00 62.44 C ATOM 969 OD1 ASP A 63 2.905 -22.832 11.267 1.00 31.43 O ATOM 970 OD2 ASP A 63 3.173 -20.857 12.172 1.00 71.15 O ATOM 0 H ASP A 63 -1.449 -20.820 11.619 1.00 1.43 H new ATOM 0 HA ASP A 63 0.818 -19.974 10.403 1.00 15.25 H new ATOM 0 HB2 ASP A 63 0.668 -20.982 12.680 1.00 62.22 H new ATOM 0 HB3 ASP A 63 0.450 -22.569 11.969 1.00 62.22 H new ATOM 975 N ILE A 64 1.517 -21.260 8.452 1.00 35.01 N ATOM 976 CA ILE A 64 1.895 -21.880 7.181 1.00 74.34 C ATOM 977 C ILE A 64 2.712 -23.166 7.383 1.00 73.52 C ATOM 978 O ILE A 64 2.627 -24.098 6.579 1.00 13.12 O ATOM 979 CB ILE A 64 2.688 -20.853 6.325 1.00 55.31 C ATOM 980 CG1 ILE A 64 3.188 -21.470 5.018 1.00 32.33 C ATOM 981 CG2 ILE A 64 3.856 -20.282 7.124 1.00 31.33 C ATOM 982 CD1 ILE A 64 3.498 -20.452 3.941 1.00 23.31 C ATOM 0 H ILE A 64 1.944 -20.345 8.600 1.00 35.01 H new ATOM 0 HA ILE A 64 0.983 -22.168 6.658 1.00 74.34 H new ATOM 0 HB ILE A 64 2.005 -20.044 6.067 1.00 55.31 H new ATOM 0 HG12 ILE A 64 4.086 -22.053 5.223 1.00 32.33 H new ATOM 0 HG13 ILE A 64 2.435 -22.164 4.643 1.00 32.33 H new ATOM 0 HG21 ILE A 64 4.401 -19.565 6.510 1.00 31.33 H new ATOM 0 HG22 ILE A 64 3.477 -19.783 8.016 1.00 31.33 H new ATOM 0 HG23 ILE A 64 4.526 -21.090 7.418 1.00 31.33 H new ATOM 0 HD11 ILE A 64 3.847 -20.965 3.045 1.00 23.31 H new ATOM 0 HD12 ILE A 64 2.597 -19.884 3.707 1.00 23.31 H new ATOM 0 HD13 ILE A 64 4.273 -19.772 4.295 1.00 23.31 H new ATOM 994 N GLY A 65 3.477 -23.222 8.464 1.00 24.22 N ATOM 995 CA GLY A 65 4.330 -24.375 8.724 1.00 1.30 C ATOM 996 C GLY A 65 3.532 -25.609 9.106 1.00 31.50 C ATOM 997 O GLY A 65 3.879 -26.731 8.719 1.00 64.12 O ATOM 0 H GLY A 65 3.525 -22.489 9.171 1.00 24.22 H new ATOM 0 HA2 GLY A 65 4.926 -24.591 7.837 1.00 1.30 H new ATOM 0 HA3 GLY A 65 5.028 -24.134 9.526 1.00 1.30 H new ATOM 1001 N VAL A 66 2.455 -25.401 9.861 1.00 52.41 N ATOM 1002 CA VAL A 66 1.614 -26.500 10.331 1.00 10.01 C ATOM 1003 C VAL A 66 1.082 -27.328 9.163 1.00 22.33 C ATOM 1004 O VAL A 66 1.123 -28.560 9.201 1.00 54.21 O ATOM 1005 CB VAL A 66 0.422 -25.983 11.179 1.00 42.25 C ATOM 1006 CG1 VAL A 66 -0.507 -27.130 11.583 1.00 35.32 C ATOM 1007 CG2 VAL A 66 0.921 -25.247 12.419 1.00 25.14 C ATOM 0 H VAL A 66 2.143 -24.477 10.161 1.00 52.41 H new ATOM 0 HA VAL A 66 2.243 -27.131 10.958 1.00 10.01 H new ATOM 0 HB VAL A 66 -0.145 -25.285 10.563 1.00 42.25 H new ATOM 0 HG11 VAL A 66 -1.333 -26.738 12.176 1.00 35.32 H new ATOM 0 HG12 VAL A 66 -0.900 -27.612 10.688 1.00 35.32 H new ATOM 0 HG13 VAL A 66 0.049 -27.858 12.173 1.00 35.32 H new ATOM 0 HG21 VAL A 66 0.069 -24.893 12.999 1.00 25.14 H new ATOM 0 HG22 VAL A 66 1.519 -25.925 13.028 1.00 25.14 H new ATOM 0 HG23 VAL A 66 1.532 -24.397 12.116 1.00 25.14 H new ATOM 1017 N LEU A 67 0.606 -26.650 8.120 1.00 55.10 N ATOM 1018 CA LEU A 67 0.005 -27.330 6.972 1.00 53.21 C ATOM 1019 C LEU A 67 0.942 -28.387 6.393 1.00 52.34 C ATOM 1020 O LEU A 67 0.508 -29.492 6.060 1.00 51.42 O ATOM 1021 CB LEU A 67 -0.397 -26.336 5.876 1.00 43.44 C ATOM 1022 CG LEU A 67 -1.616 -25.444 6.176 1.00 1.21 C ATOM 1023 CD1 LEU A 67 -2.680 -26.201 6.970 1.00 3.51 C ATOM 1024 CD2 LEU A 67 -1.202 -24.154 6.880 1.00 50.24 C ATOM 0 H LEU A 67 0.624 -25.633 8.045 1.00 55.10 H new ATOM 0 HA LEU A 67 -0.894 -27.826 7.337 1.00 53.21 H new ATOM 0 HB2 LEU A 67 0.457 -25.690 5.670 1.00 43.44 H new ATOM 0 HB3 LEU A 67 -0.600 -26.897 4.964 1.00 43.44 H new ATOM 0 HG LEU A 67 -2.061 -25.165 5.221 1.00 1.21 H new ATOM 0 HD11 LEU A 67 -3.526 -25.542 7.165 1.00 3.51 H new ATOM 0 HD12 LEU A 67 -3.017 -27.064 6.396 1.00 3.51 H new ATOM 0 HD13 LEU A 67 -2.257 -26.537 7.917 1.00 3.51 H new ATOM 0 HD21 LEU A 67 -2.086 -23.547 7.077 1.00 50.24 H new ATOM 0 HD22 LEU A 67 -0.710 -24.395 7.822 1.00 50.24 H new ATOM 0 HD23 LEU A 67 -0.514 -23.597 6.244 1.00 50.24 H new ATOM 1036 N ILE A 68 2.224 -28.057 6.299 1.00 31.54 N ATOM 1037 CA ILE A 68 3.216 -28.972 5.738 1.00 2.51 C ATOM 1038 C ILE A 68 3.259 -30.274 6.536 1.00 51.44 C ATOM 1039 O ILE A 68 3.403 -31.363 5.972 1.00 60.32 O ATOM 1040 CB ILE A 68 4.629 -28.340 5.710 1.00 45.02 C ATOM 1041 CG1 ILE A 68 4.593 -26.978 5.006 1.00 32.52 C ATOM 1042 CG2 ILE A 68 5.623 -29.279 5.019 1.00 72.11 C ATOM 1043 CD1 ILE A 68 5.947 -26.305 4.928 1.00 31.33 C ATOM 0 H ILE A 68 2.604 -27.161 6.604 1.00 31.54 H new ATOM 0 HA ILE A 68 2.913 -29.182 4.712 1.00 2.51 H new ATOM 0 HB ILE A 68 4.960 -28.187 6.737 1.00 45.02 H new ATOM 0 HG12 ILE A 68 4.202 -27.109 3.997 1.00 32.52 H new ATOM 0 HG13 ILE A 68 3.900 -26.323 5.534 1.00 32.52 H new ATOM 0 HG21 ILE A 68 6.611 -28.819 5.008 1.00 72.11 H new ATOM 0 HG22 ILE A 68 5.668 -30.223 5.561 1.00 72.11 H new ATOM 0 HG23 ILE A 68 5.298 -29.464 3.995 1.00 72.11 H new ATOM 0 HD11 ILE A 68 5.848 -25.347 4.418 1.00 31.33 H new ATOM 0 HD12 ILE A 68 6.331 -26.142 5.935 1.00 31.33 H new ATOM 0 HD13 ILE A 68 6.638 -26.941 4.375 1.00 31.33 H new ATOM 1055 N THR A 69 3.094 -30.154 7.850 1.00 24.31 N ATOM 1056 CA THR A 69 3.151 -31.307 8.738 1.00 33.41 C ATOM 1057 C THR A 69 1.888 -32.160 8.586 1.00 42.44 C ATOM 1058 O THR A 69 1.907 -33.370 8.814 1.00 21.42 O ATOM 1059 CB THR A 69 3.323 -30.865 10.211 1.00 21.35 C ATOM 1060 OG1 THR A 69 4.488 -30.034 10.332 1.00 24.41 O ATOM 1061 CG2 THR A 69 3.459 -32.067 11.139 1.00 64.12 C ATOM 0 H THR A 69 2.919 -29.267 8.323 1.00 24.31 H new ATOM 0 HA THR A 69 4.018 -31.906 8.458 1.00 33.41 H new ATOM 0 HB THR A 69 2.433 -30.307 10.503 1.00 21.35 H new ATOM 0 HG1 THR A 69 4.594 -29.754 11.265 1.00 24.41 H new ATOM 0 HG21 THR A 69 3.578 -31.722 12.166 1.00 64.12 H new ATOM 0 HG22 THR A 69 2.565 -32.686 11.066 1.00 64.12 H new ATOM 0 HG23 THR A 69 4.331 -32.653 10.850 1.00 64.12 H new ATOM 1069 N GLN A 70 0.797 -31.517 8.183 1.00 34.14 N ATOM 1070 CA GLN A 70 -0.456 -32.221 7.939 1.00 71.34 C ATOM 1071 C GLN A 70 -0.364 -32.970 6.616 1.00 10.03 C ATOM 1072 O GLN A 70 -0.731 -34.139 6.521 1.00 34.11 O ATOM 1073 CB GLN A 70 -1.633 -31.236 7.897 1.00 31.34 C ATOM 1074 CG GLN A 70 -1.597 -30.188 8.999 1.00 51.21 C ATOM 1075 CD GLN A 70 -2.873 -29.362 9.079 1.00 22.45 C ATOM 1076 OE1 GLN A 70 -3.565 -29.213 7.957 1.00 33.32 O flip ATOM 1077 NE2 GLN A 70 -3.234 -28.860 10.141 1.00 21.40 N flip ATOM 0 H GLN A 70 0.755 -30.511 8.019 1.00 34.14 H new ATOM 0 HA GLN A 70 -0.627 -32.927 8.752 1.00 71.34 H new ATOM 0 HB2 GLN A 70 -1.639 -30.733 6.930 1.00 31.34 H new ATOM 0 HB3 GLN A 70 -2.566 -31.795 7.971 1.00 31.34 H new ATOM 0 HG2 GLN A 70 -1.430 -30.682 9.956 1.00 51.21 H new ATOM 0 HG3 GLN A 70 -0.750 -29.522 8.832 1.00 51.21 H new ATOM 0 HE21 GLN A 70 -2.677 -28.995 10.985 1.00 21.40 H new ATOM 0 HE22 GLN A 70 -4.091 -28.308 10.179 1.00 21.40 H new ATOM 1086 N MET A 71 0.156 -32.274 5.609 1.00 14.01 N ATOM 1087 CA MET A 71 0.308 -32.811 4.253 1.00 13.13 C ATOM 1088 C MET A 71 1.114 -34.108 4.249 1.00 21.22 C ATOM 1089 O MET A 71 0.692 -35.110 3.672 1.00 40.43 O ATOM 1090 CB MET A 71 1.010 -31.780 3.366 1.00 61.13 C ATOM 1091 CG MET A 71 0.154 -30.578 2.987 1.00 14.31 C ATOM 1092 SD MET A 71 1.127 -29.066 2.856 1.00 65.25 S ATOM 1093 CE MET A 71 2.579 -29.656 1.984 1.00 3.01 C ATOM 0 H MET A 71 0.487 -31.314 5.708 1.00 14.01 H new ATOM 0 HA MET A 71 -0.688 -33.026 3.866 1.00 13.13 H new ATOM 0 HB2 MET A 71 1.903 -31.425 3.881 1.00 61.13 H new ATOM 0 HB3 MET A 71 1.344 -32.273 2.453 1.00 61.13 H new ATOM 0 HG2 MET A 71 -0.342 -30.772 2.036 1.00 14.31 H new ATOM 0 HG3 MET A 71 -0.629 -30.441 3.733 1.00 14.31 H new ATOM 0 HE1 MET A 71 3.013 -28.840 1.407 1.00 3.01 H new ATOM 0 HE2 MET A 71 3.312 -30.022 2.703 1.00 3.01 H new ATOM 0 HE3 MET A 71 2.295 -30.465 1.311 1.00 3.01 H new ATOM 1103 N THR A 72 2.279 -34.070 4.888 1.00 74.35 N ATOM 1104 CA THR A 72 3.192 -35.209 4.907 1.00 54.12 C ATOM 1105 C THR A 72 2.508 -36.452 5.474 1.00 21.40 C ATOM 1106 O THR A 72 2.822 -37.582 5.090 1.00 10.21 O ATOM 1107 CB THR A 72 4.462 -34.890 5.737 1.00 4.43 C ATOM 1108 OG1 THR A 72 5.460 -35.899 5.538 1.00 54.05 O ATOM 1109 CG2 THR A 72 4.150 -34.781 7.226 1.00 32.34 C ATOM 0 H THR A 72 2.615 -33.257 5.403 1.00 74.35 H new ATOM 0 HA THR A 72 3.485 -35.408 3.876 1.00 54.12 H new ATOM 0 HB THR A 72 4.838 -33.927 5.390 1.00 4.43 H new ATOM 0 HG1 THR A 72 6.255 -35.681 6.068 1.00 54.05 H new ATOM 0 HG21 THR A 72 5.065 -34.557 7.774 1.00 32.34 H new ATOM 0 HG22 THR A 72 3.425 -33.983 7.388 1.00 32.34 H new ATOM 0 HG23 THR A 72 3.737 -35.725 7.581 1.00 32.34 H new ATOM 1117 N ASP A 73 1.567 -36.228 6.377 1.00 14.31 N ATOM 1118 CA ASP A 73 0.885 -37.308 7.074 1.00 73.20 C ATOM 1119 C ASP A 73 -0.330 -37.764 6.282 1.00 63.12 C ATOM 1120 O ASP A 73 -0.568 -38.961 6.103 1.00 62.50 O ATOM 1121 CB ASP A 73 0.467 -36.821 8.461 1.00 53.23 C ATOM 1122 CG ASP A 73 -0.089 -37.937 9.332 1.00 24.13 C ATOM 1123 OD1 ASP A 73 0.715 -38.649 9.970 1.00 73.12 O ATOM 1124 OD2 ASP A 73 -1.327 -38.099 9.400 1.00 61.41 O ATOM 0 H ASP A 73 1.255 -35.295 6.647 1.00 14.31 H new ATOM 0 HA ASP A 73 1.560 -38.158 7.177 1.00 73.20 H new ATOM 0 HB2 ASP A 73 1.327 -36.372 8.958 1.00 53.23 H new ATOM 0 HB3 ASP A 73 -0.285 -36.039 8.356 1.00 53.23 H new ATOM 1129 N GLU A 74 -1.086 -36.790 5.805 1.00 53.04 N ATOM 1130 CA GLU A 74 -2.280 -37.037 5.015 1.00 13.52 C ATOM 1131 C GLU A 74 -2.472 -35.906 4.012 1.00 52.34 C ATOM 1132 O GLU A 74 -2.660 -34.750 4.403 1.00 43.45 O ATOM 1133 CB GLU A 74 -3.510 -37.154 5.925 1.00 65.33 C ATOM 1134 CG GLU A 74 -4.831 -37.253 5.170 1.00 22.12 C ATOM 1135 CD GLU A 74 -6.023 -37.379 6.099 1.00 33.50 C ATOM 1136 OE1 GLU A 74 -6.374 -36.383 6.764 1.00 64.11 O ATOM 1137 OE2 GLU A 74 -6.618 -38.475 6.170 1.00 51.53 O ATOM 0 H GLU A 74 -0.888 -35.801 5.956 1.00 53.04 H new ATOM 0 HA GLU A 74 -2.161 -37.977 4.477 1.00 13.52 H new ATOM 0 HB2 GLU A 74 -3.398 -38.034 6.559 1.00 65.33 H new ATOM 0 HB3 GLU A 74 -3.545 -36.288 6.586 1.00 65.33 H new ATOM 0 HG2 GLU A 74 -4.955 -36.370 4.543 1.00 22.12 H new ATOM 0 HG3 GLU A 74 -4.801 -38.115 4.504 1.00 22.12 H new ATOM 1144 N MET A 75 -2.405 -36.228 2.726 1.00 3.01 N ATOM 1145 CA MET A 75 -2.676 -35.239 1.694 1.00 44.15 C ATOM 1146 C MET A 75 -4.184 -34.993 1.630 1.00 2.42 C ATOM 1147 O MET A 75 -4.980 -35.930 1.752 1.00 23.31 O ATOM 1148 CB MET A 75 -2.122 -35.680 0.327 1.00 64.55 C ATOM 1149 CG MET A 75 -2.830 -36.881 -0.273 1.00 34.12 C ATOM 1150 SD MET A 75 -1.989 -37.537 -1.732 1.00 53.33 S ATOM 1151 CE MET A 75 -2.100 -36.144 -2.855 1.00 73.05 C ATOM 0 H MET A 75 -2.168 -37.157 2.377 1.00 3.01 H new ATOM 0 HA MET A 75 -2.168 -34.309 1.949 1.00 44.15 H new ATOM 0 HB2 MET A 75 -2.195 -34.844 -0.369 1.00 64.55 H new ATOM 0 HB3 MET A 75 -1.063 -35.913 0.435 1.00 64.55 H new ATOM 0 HG2 MET A 75 -2.905 -37.665 0.480 1.00 34.12 H new ATOM 0 HG3 MET A 75 -3.848 -36.599 -0.543 1.00 34.12 H new ATOM 0 HE1 MET A 75 -1.820 -36.463 -3.859 1.00 73.05 H new ATOM 0 HE2 MET A 75 -3.122 -35.766 -2.866 1.00 73.05 H new ATOM 0 HE3 MET A 75 -1.425 -35.355 -2.523 1.00 73.05 H new ATOM 1161 N PRO A 76 -4.586 -33.728 1.449 1.00 3.41 N ATOM 1162 CA PRO A 76 -5.988 -33.301 1.571 1.00 54.22 C ATOM 1163 C PRO A 76 -6.892 -33.879 0.469 1.00 61.51 C ATOM 1164 O PRO A 76 -7.487 -34.947 0.636 1.00 1.43 O ATOM 1165 CB PRO A 76 -5.885 -31.767 1.475 1.00 4.34 C ATOM 1166 CG PRO A 76 -4.645 -31.527 0.678 1.00 35.41 C ATOM 1167 CD PRO A 76 -3.693 -32.612 1.093 1.00 32.14 C ATOM 0 HA PRO A 76 -6.451 -33.654 2.493 1.00 54.22 H new ATOM 0 HB2 PRO A 76 -6.761 -31.340 0.986 1.00 4.34 H new ATOM 0 HB3 PRO A 76 -5.817 -31.311 2.463 1.00 4.34 H new ATOM 0 HG2 PRO A 76 -4.850 -31.571 -0.392 1.00 35.41 H new ATOM 0 HG3 PRO A 76 -4.230 -30.540 0.883 1.00 35.41 H new ATOM 0 HD2 PRO A 76 -3.014 -32.882 0.284 1.00 32.14 H new ATOM 0 HD3 PRO A 76 -3.076 -32.305 1.938 1.00 32.14 H new ATOM 1175 N ARG A 77 -6.976 -33.169 -0.653 1.00 42.15 N ATOM 1176 CA ARG A 77 -7.806 -33.562 -1.788 1.00 24.23 C ATOM 1177 C ARG A 77 -7.191 -33.013 -3.065 1.00 64.03 C ATOM 1178 O ARG A 77 -6.756 -31.859 -3.090 1.00 31.21 O ATOM 1179 CB ARG A 77 -9.232 -32.997 -1.641 1.00 34.31 C ATOM 1180 CG ARG A 77 -10.149 -33.775 -0.704 1.00 65.13 C ATOM 1181 CD ARG A 77 -10.586 -35.100 -1.315 1.00 35.21 C ATOM 1182 NE ARG A 77 -11.660 -35.730 -0.543 1.00 33.43 N ATOM 1183 CZ ARG A 77 -12.852 -36.064 -1.046 1.00 44.12 C ATOM 1184 NH1 ARG A 77 -13.122 -35.872 -2.331 1.00 60.03 N ATOM 1185 NH2 ARG A 77 -13.770 -36.610 -0.264 1.00 24.22 N ATOM 0 H ARG A 77 -6.466 -32.298 -0.801 1.00 42.15 H new ATOM 0 HA ARG A 77 -7.858 -34.650 -1.824 1.00 24.23 H new ATOM 0 HB2 ARG A 77 -9.163 -31.969 -1.284 1.00 34.31 H new ATOM 0 HB3 ARG A 77 -9.694 -32.961 -2.628 1.00 34.31 H new ATOM 0 HG2 ARG A 77 -9.633 -33.961 0.238 1.00 65.13 H new ATOM 0 HG3 ARG A 77 -11.028 -33.173 -0.473 1.00 65.13 H new ATOM 0 HD2 ARG A 77 -10.924 -34.934 -2.338 1.00 35.21 H new ATOM 0 HD3 ARG A 77 -9.732 -35.775 -1.367 1.00 35.21 H new ATOM 0 HE ARG A 77 -11.487 -35.926 0.443 1.00 33.43 H new ATOM 0 HH11 ARG A 77 -12.416 -35.466 -2.945 1.00 60.03 H new ATOM 0 HH12 ARG A 77 -14.035 -36.131 -2.704 1.00 60.03 H new ATOM 0 HH21 ARG A 77 -13.567 -36.775 0.722 1.00 24.22 H new ATOM 0 HH22 ARG A 77 -14.680 -36.865 -0.647 1.00 24.22 H new ATOM 1199 N GLU A 78 -7.149 -33.822 -4.118 1.00 43.11 N ATOM 1200 CA GLU A 78 -6.723 -33.335 -5.427 1.00 10.22 C ATOM 1201 C GLU A 78 -7.669 -32.226 -5.876 1.00 23.31 C ATOM 1202 O GLU A 78 -7.257 -31.261 -6.523 1.00 30.35 O ATOM 1203 CB GLU A 78 -6.704 -34.467 -6.461 1.00 42.54 C ATOM 1204 CG GLU A 78 -5.734 -35.596 -6.125 1.00 21.42 C ATOM 1205 CD GLU A 78 -5.674 -36.658 -7.211 1.00 43.31 C ATOM 1206 OE1 GLU A 78 -6.537 -37.562 -7.217 1.00 3.12 O ATOM 1207 OE2 GLU A 78 -4.768 -36.588 -8.069 1.00 24.35 O ATOM 0 H GLU A 78 -7.402 -34.810 -4.093 1.00 43.11 H new ATOM 0 HA GLU A 78 -5.708 -32.946 -5.345 1.00 10.22 H new ATOM 0 HB2 GLU A 78 -7.709 -34.880 -6.552 1.00 42.54 H new ATOM 0 HB3 GLU A 78 -6.440 -34.052 -7.434 1.00 42.54 H new ATOM 0 HG2 GLU A 78 -4.738 -35.181 -5.973 1.00 21.42 H new ATOM 0 HG3 GLU A 78 -6.033 -36.059 -5.185 1.00 21.42 H new ATOM 1214 N GLU A 79 -8.935 -32.380 -5.500 1.00 61.41 N ATOM 1215 CA GLU A 79 -9.962 -31.379 -5.762 1.00 62.11 C ATOM 1216 C GLU A 79 -9.603 -30.056 -5.094 1.00 42.33 C ATOM 1217 O GLU A 79 -9.654 -28.999 -5.713 1.00 30.53 O ATOM 1218 CB GLU A 79 -11.315 -31.880 -5.244 1.00 33.44 C ATOM 1219 CG GLU A 79 -12.467 -30.910 -5.482 1.00 54.04 C ATOM 1220 CD GLU A 79 -13.790 -31.445 -4.965 1.00 23.55 C ATOM 1221 OE1 GLU A 79 -14.391 -32.303 -5.644 1.00 35.41 O ATOM 1222 OE2 GLU A 79 -14.232 -31.018 -3.877 1.00 35.35 O ATOM 0 H GLU A 79 -9.277 -33.203 -5.005 1.00 61.41 H new ATOM 0 HA GLU A 79 -10.026 -31.215 -6.838 1.00 62.11 H new ATOM 0 HB2 GLU A 79 -11.548 -32.830 -5.725 1.00 33.44 H new ATOM 0 HB3 GLU A 79 -11.233 -32.076 -4.175 1.00 33.44 H new ATOM 0 HG2 GLU A 79 -12.246 -29.961 -4.993 1.00 54.04 H new ATOM 0 HG3 GLU A 79 -12.553 -30.707 -6.549 1.00 54.04 H new ATOM 1229 N ASP A 80 -9.229 -30.122 -3.826 1.00 22.20 N ATOM 1230 CA ASP A 80 -8.873 -28.922 -3.075 1.00 23.21 C ATOM 1231 C ASP A 80 -7.595 -28.300 -3.635 1.00 50.24 C ATOM 1232 O ASP A 80 -7.471 -27.074 -3.715 1.00 21.13 O ATOM 1233 CB ASP A 80 -8.719 -29.237 -1.578 1.00 4.30 C ATOM 1234 CG ASP A 80 -10.050 -29.539 -0.896 1.00 30.43 C ATOM 1235 OD1 ASP A 80 -11.078 -28.950 -1.295 1.00 72.24 O ATOM 1236 OD2 ASP A 80 -10.073 -30.364 0.042 1.00 34.04 O ATOM 0 H ASP A 80 -9.163 -30.990 -3.294 1.00 22.20 H new ATOM 0 HA ASP A 80 -9.681 -28.199 -3.183 1.00 23.21 H new ATOM 0 HB2 ASP A 80 -8.053 -30.091 -1.458 1.00 4.30 H new ATOM 0 HB3 ASP A 80 -8.245 -28.391 -1.080 1.00 4.30 H new ATOM 1241 N ILE A 81 -6.655 -29.151 -4.043 1.00 52.33 N ATOM 1242 CA ILE A 81 -5.404 -28.684 -4.634 1.00 75.11 C ATOM 1243 C ILE A 81 -5.677 -27.943 -5.939 1.00 23.01 C ATOM 1244 O ILE A 81 -5.131 -26.854 -6.172 1.00 54.32 O ATOM 1245 CB ILE A 81 -4.408 -29.847 -4.888 1.00 63.24 C ATOM 1246 CG1 ILE A 81 -4.018 -30.518 -3.557 1.00 42.25 C ATOM 1247 CG2 ILE A 81 -3.161 -29.348 -5.624 1.00 1.12 C ATOM 1248 CD1 ILE A 81 -3.136 -31.740 -3.715 1.00 11.21 C ATOM 0 H ILE A 81 -6.736 -30.165 -3.975 1.00 52.33 H new ATOM 0 HA ILE A 81 -4.944 -28.004 -3.917 1.00 75.11 H new ATOM 0 HB ILE A 81 -4.900 -30.586 -5.520 1.00 63.24 H new ATOM 0 HG12 ILE A 81 -3.502 -29.789 -2.933 1.00 42.25 H new ATOM 0 HG13 ILE A 81 -4.926 -30.805 -3.027 1.00 42.25 H new ATOM 0 HG21 ILE A 81 -2.479 -30.182 -5.790 1.00 1.12 H new ATOM 0 HG22 ILE A 81 -3.452 -28.920 -6.583 1.00 1.12 H new ATOM 0 HG23 ILE A 81 -2.664 -28.587 -5.023 1.00 1.12 H new ATOM 0 HD11 ILE A 81 -2.907 -32.153 -2.733 1.00 11.21 H new ATOM 0 HD12 ILE A 81 -3.656 -32.490 -4.311 1.00 11.21 H new ATOM 0 HD13 ILE A 81 -2.209 -31.458 -4.215 1.00 11.21 H new ATOM 1260 N GLU A 82 -6.535 -28.519 -6.785 1.00 20.30 N ATOM 1261 CA GLU A 82 -6.861 -27.887 -8.056 1.00 13.24 C ATOM 1262 C GLU A 82 -7.566 -26.562 -7.798 1.00 5.44 C ATOM 1263 O GLU A 82 -7.269 -25.562 -8.451 1.00 1.51 O ATOM 1264 CB GLU A 82 -7.715 -28.787 -8.970 1.00 73.20 C ATOM 1265 CG GLU A 82 -9.175 -28.923 -8.552 1.00 75.31 C ATOM 1266 CD GLU A 82 -10.071 -29.400 -9.681 1.00 75.42 C ATOM 1267 OE1 GLU A 82 -10.457 -28.562 -10.527 1.00 14.40 O ATOM 1268 OE2 GLU A 82 -10.391 -30.603 -9.736 1.00 2.33 O ATOM 0 H GLU A 82 -7.007 -29.407 -6.613 1.00 20.30 H new ATOM 0 HA GLU A 82 -5.925 -27.712 -8.586 1.00 13.24 H new ATOM 0 HB2 GLU A 82 -7.678 -28.390 -9.984 1.00 73.20 H new ATOM 0 HB3 GLU A 82 -7.266 -29.780 -9.000 1.00 73.20 H new ATOM 0 HG2 GLU A 82 -9.245 -29.622 -7.719 1.00 75.31 H new ATOM 0 HG3 GLU A 82 -9.536 -27.960 -8.191 1.00 75.31 H new ATOM 1275 N ARG A 83 -8.475 -26.554 -6.817 1.00 62.13 N ATOM 1276 CA ARG A 83 -9.197 -25.340 -6.449 1.00 64.02 C ATOM 1277 C ARG A 83 -8.222 -24.221 -6.134 1.00 23.45 C ATOM 1278 O ARG A 83 -8.250 -23.162 -6.762 1.00 51.11 O ATOM 1279 CB ARG A 83 -10.093 -25.557 -5.224 1.00 1.04 C ATOM 1280 CG ARG A 83 -11.280 -26.482 -5.441 1.00 32.11 C ATOM 1281 CD ARG A 83 -12.256 -26.406 -4.270 1.00 70.23 C ATOM 1282 NE ARG A 83 -11.628 -26.718 -2.978 1.00 52.13 N ATOM 1283 CZ ARG A 83 -11.212 -25.802 -2.087 1.00 13.14 C ATOM 1284 NH1 ARG A 83 -11.308 -24.504 -2.350 1.00 14.02 N ATOM 1285 NH2 ARG A 83 -10.707 -26.196 -0.928 1.00 32.14 N ATOM 0 H ARG A 83 -8.725 -27.375 -6.267 1.00 62.13 H new ATOM 0 HA ARG A 83 -9.822 -25.074 -7.302 1.00 64.02 H new ATOM 0 HB2 ARG A 83 -9.483 -25.960 -4.415 1.00 1.04 H new ATOM 0 HB3 ARG A 83 -10.465 -24.588 -4.891 1.00 1.04 H new ATOM 0 HG2 ARG A 83 -11.793 -26.211 -6.364 1.00 32.11 H new ATOM 0 HG3 ARG A 83 -10.929 -27.507 -5.560 1.00 32.11 H new ATOM 0 HD2 ARG A 83 -12.686 -25.405 -4.227 1.00 70.23 H new ATOM 0 HD3 ARG A 83 -13.079 -27.099 -4.445 1.00 70.23 H new ATOM 0 HE ARG A 83 -11.499 -27.701 -2.740 1.00 52.13 H new ATOM 0 HH11 ARG A 83 -11.701 -24.191 -3.238 1.00 14.02 H new ATOM 0 HH12 ARG A 83 -10.988 -23.820 -1.664 1.00 14.02 H new ATOM 0 HH21 ARG A 83 -10.635 -27.191 -0.715 1.00 32.14 H new ATOM 0 HH22 ARG A 83 -10.390 -25.505 -0.248 1.00 32.14 H new ATOM 1299 N VAL A 84 -7.355 -24.466 -5.158 1.00 60.34 N ATOM 1300 CA VAL A 84 -6.451 -23.437 -4.677 1.00 41.51 C ATOM 1301 C VAL A 84 -5.503 -22.966 -5.784 1.00 42.42 C ATOM 1302 O VAL A 84 -5.395 -21.772 -6.035 1.00 71.31 O ATOM 1303 CB VAL A 84 -5.657 -23.901 -3.426 1.00 4.13 C ATOM 1304 CG1 VAL A 84 -4.672 -25.019 -3.760 1.00 3.32 C ATOM 1305 CG2 VAL A 84 -4.950 -22.719 -2.766 1.00 65.02 C ATOM 0 H VAL A 84 -7.262 -25.366 -4.688 1.00 60.34 H new ATOM 0 HA VAL A 84 -7.066 -22.589 -4.376 1.00 41.51 H new ATOM 0 HB VAL A 84 -6.374 -24.310 -2.714 1.00 4.13 H new ATOM 0 HG11 VAL A 84 -4.137 -25.314 -2.857 1.00 3.32 H new ATOM 0 HG12 VAL A 84 -5.216 -25.876 -4.157 1.00 3.32 H new ATOM 0 HG13 VAL A 84 -3.959 -24.665 -4.505 1.00 3.32 H new ATOM 0 HG21 VAL A 84 -4.400 -23.066 -1.892 1.00 65.02 H new ATOM 0 HG22 VAL A 84 -4.257 -22.268 -3.475 1.00 65.02 H new ATOM 0 HG23 VAL A 84 -5.689 -21.978 -2.459 1.00 65.02 H new ATOM 1315 N ARG A 85 -4.858 -23.896 -6.482 1.00 32.12 N ATOM 1316 CA ARG A 85 -3.892 -23.522 -7.517 1.00 63.21 C ATOM 1317 C ARG A 85 -4.559 -22.687 -8.618 1.00 31.04 C ATOM 1318 O ARG A 85 -4.039 -21.649 -9.026 1.00 74.34 O ATOM 1319 CB ARG A 85 -3.219 -24.766 -8.126 1.00 13.42 C ATOM 1320 CG ARG A 85 -4.165 -25.680 -8.892 1.00 50.13 C ATOM 1321 CD ARG A 85 -3.445 -26.882 -9.501 1.00 12.03 C ATOM 1322 NE ARG A 85 -2.454 -26.490 -10.514 1.00 64.53 N ATOM 1323 CZ ARG A 85 -2.761 -26.085 -11.752 1.00 65.33 C ATOM 1324 NH1 ARG A 85 -4.029 -26.009 -12.145 1.00 14.52 N ATOM 1325 NH2 ARG A 85 -1.793 -25.774 -12.603 1.00 44.23 N ATOM 0 H ARG A 85 -4.982 -24.900 -6.355 1.00 32.12 H new ATOM 0 HA ARG A 85 -3.122 -22.914 -7.041 1.00 63.21 H new ATOM 0 HB2 ARG A 85 -2.423 -24.442 -8.797 1.00 13.42 H new ATOM 0 HB3 ARG A 85 -2.749 -25.338 -7.326 1.00 13.42 H new ATOM 0 HG2 ARG A 85 -4.950 -26.031 -8.222 1.00 50.13 H new ATOM 0 HG3 ARG A 85 -4.653 -25.112 -9.684 1.00 50.13 H new ATOM 0 HD2 ARG A 85 -2.948 -27.443 -8.710 1.00 12.03 H new ATOM 0 HD3 ARG A 85 -4.178 -27.550 -9.954 1.00 12.03 H new ATOM 0 HE ARG A 85 -1.468 -26.529 -10.256 1.00 64.53 H new ATOM 0 HH11 ARG A 85 -4.779 -26.261 -11.501 1.00 14.52 H new ATOM 0 HH12 ARG A 85 -4.252 -25.699 -13.091 1.00 14.52 H new ATOM 0 HH21 ARG A 85 -0.817 -25.844 -12.313 1.00 44.23 H new ATOM 0 HH22 ARG A 85 -2.024 -25.465 -13.547 1.00 44.23 H new ATOM 1339 N ARG A 86 -5.727 -23.133 -9.072 1.00 54.02 N ATOM 1340 CA ARG A 86 -6.435 -22.456 -10.170 1.00 61.13 C ATOM 1341 C ARG A 86 -6.990 -21.107 -9.712 1.00 43.24 C ATOM 1342 O ARG A 86 -7.062 -20.155 -10.491 1.00 52.32 O ATOM 1343 CB ARG A 86 -7.563 -23.342 -10.738 1.00 71.32 C ATOM 1344 CG ARG A 86 -8.773 -23.499 -9.817 1.00 70.13 C ATOM 1345 CD ARG A 86 -9.748 -24.559 -10.329 1.00 34.11 C ATOM 1346 NE ARG A 86 -10.295 -24.220 -11.645 1.00 1.42 N ATOM 1347 CZ ARG A 86 -10.808 -25.112 -12.503 1.00 31.40 C ATOM 1348 NH1 ARG A 86 -10.841 -26.406 -12.199 1.00 20.14 N ATOM 1349 NH2 ARG A 86 -11.292 -24.706 -13.668 1.00 54.51 N ATOM 0 H ARG A 86 -6.206 -23.955 -8.704 1.00 54.02 H new ATOM 0 HA ARG A 86 -5.714 -22.277 -10.967 1.00 61.13 H new ATOM 0 HB2 ARG A 86 -7.897 -22.920 -11.686 1.00 71.32 H new ATOM 0 HB3 ARG A 86 -7.157 -24.330 -10.955 1.00 71.32 H new ATOM 0 HG2 ARG A 86 -8.435 -23.770 -8.817 1.00 70.13 H new ATOM 0 HG3 ARG A 86 -9.289 -22.543 -9.730 1.00 70.13 H new ATOM 0 HD2 ARG A 86 -9.239 -25.521 -10.386 1.00 34.11 H new ATOM 0 HD3 ARG A 86 -10.565 -24.673 -9.616 1.00 34.11 H new ATOM 0 HE ARG A 86 -10.285 -23.240 -11.927 1.00 1.42 H new ATOM 0 HH11 ARG A 86 -10.473 -26.729 -11.304 1.00 20.14 H new ATOM 0 HH12 ARG A 86 -11.234 -27.075 -12.861 1.00 20.14 H new ATOM 0 HH21 ARG A 86 -11.274 -23.715 -13.911 1.00 54.51 H new ATOM 0 HH22 ARG A 86 -11.683 -25.384 -14.322 1.00 54.51 H new ATOM 1363 N HIS A 87 -7.377 -21.029 -8.440 1.00 53.04 N ATOM 1364 CA HIS A 87 -7.897 -19.789 -7.865 1.00 5.31 C ATOM 1365 C HIS A 87 -6.762 -18.793 -7.640 1.00 35.45 C ATOM 1366 O HIS A 87 -6.935 -17.587 -7.799 1.00 13.34 O ATOM 1367 CB HIS A 87 -8.627 -20.075 -6.544 1.00 31.33 C ATOM 1368 CG HIS A 87 -9.258 -18.864 -5.918 1.00 1.11 C ATOM 1369 ND1 HIS A 87 -10.546 -18.462 -6.191 1.00 60.25 N ATOM 1370 CD2 HIS A 87 -8.772 -17.971 -5.023 1.00 1.45 C ATOM 1371 CE1 HIS A 87 -10.826 -17.379 -5.495 1.00 50.53 C ATOM 1372 NE2 HIS A 87 -9.767 -17.060 -4.776 1.00 10.01 N ATOM 0 H HIS A 87 -7.340 -21.811 -7.787 1.00 53.04 H new ATOM 0 HA HIS A 87 -8.609 -19.353 -8.566 1.00 5.31 H new ATOM 0 HB2 HIS A 87 -9.400 -20.823 -6.723 1.00 31.33 H new ATOM 0 HB3 HIS A 87 -7.920 -20.510 -5.837 1.00 31.33 H new ATOM 0 HD2 HIS A 87 -7.785 -17.976 -4.585 1.00 1.45 H new ATOM 0 HE1 HIS A 87 -11.764 -16.843 -5.510 1.00 50.53 H new ATOM 0 HE2 HIS A 87 -9.699 -16.265 -4.140 1.00 10.01 H new ATOM 1381 N LEU A 88 -5.600 -19.319 -7.268 1.00 42.33 N ATOM 1382 CA LEU A 88 -4.407 -18.507 -7.021 1.00 61.31 C ATOM 1383 C LEU A 88 -3.792 -18.028 -8.339 1.00 10.22 C ATOM 1384 O LEU A 88 -3.195 -16.940 -8.406 1.00 2.44 O ATOM 1385 CB LEU A 88 -3.388 -19.317 -6.202 1.00 25.40 C ATOM 1386 CG LEU A 88 -3.565 -19.275 -4.670 1.00 72.03 C ATOM 1387 CD1 LEU A 88 -3.025 -17.961 -4.098 1.00 20.14 C ATOM 1388 CD2 LEU A 88 -5.029 -19.446 -4.269 1.00 1.22 C ATOM 0 H LEU A 88 -5.455 -20.319 -7.128 1.00 42.33 H new ATOM 0 HA LEU A 88 -4.694 -17.624 -6.450 1.00 61.31 H new ATOM 0 HB2 LEU A 88 -3.437 -20.357 -6.525 1.00 25.40 H new ATOM 0 HB3 LEU A 88 -2.388 -18.955 -6.442 1.00 25.40 H new ATOM 0 HG LEU A 88 -2.996 -20.108 -4.256 1.00 72.03 H new ATOM 0 HD11 LEU A 88 -3.160 -17.952 -3.016 1.00 20.14 H new ATOM 0 HD12 LEU A 88 -1.964 -17.871 -4.332 1.00 20.14 H new ATOM 0 HD13 LEU A 88 -3.566 -17.123 -4.538 1.00 20.14 H new ATOM 0 HD21 LEU A 88 -5.115 -19.411 -3.183 1.00 1.22 H new ATOM 0 HD22 LEU A 88 -5.622 -18.643 -4.706 1.00 1.22 H new ATOM 0 HD23 LEU A 88 -5.396 -20.406 -4.631 1.00 1.22 H new ATOM 1400 N ALA A 89 -3.955 -18.837 -9.382 1.00 50.41 N ATOM 1401 CA ALA A 89 -3.465 -18.496 -10.718 1.00 61.34 C ATOM 1402 C ALA A 89 -4.094 -17.192 -11.206 1.00 73.12 C ATOM 1403 O ALA A 89 -3.526 -16.487 -12.042 1.00 14.30 O ATOM 1404 CB ALA A 89 -3.753 -19.630 -11.696 1.00 24.15 C ATOM 0 H ALA A 89 -4.426 -19.740 -9.329 1.00 50.41 H new ATOM 0 HA ALA A 89 -2.386 -18.354 -10.663 1.00 61.34 H new ATOM 0 HB1 ALA A 89 -3.382 -19.360 -12.685 1.00 24.15 H new ATOM 0 HB2 ALA A 89 -3.255 -20.538 -11.357 1.00 24.15 H new ATOM 0 HB3 ALA A 89 -4.828 -19.803 -11.746 1.00 24.15 H new ATOM 1410 N LEU A 90 -5.273 -16.878 -10.665 1.00 4.52 N ATOM 1411 CA LEU A 90 -5.969 -15.630 -10.978 1.00 63.34 C ATOM 1412 C LEU A 90 -5.131 -14.424 -10.566 1.00 72.14 C ATOM 1413 O LEU A 90 -5.155 -13.382 -11.223 1.00 72.44 O ATOM 1414 CB LEU A 90 -7.322 -15.580 -10.262 1.00 43.21 C ATOM 1415 CG LEU A 90 -8.344 -16.647 -10.694 1.00 31.03 C ATOM 1416 CD1 LEU A 90 -9.627 -16.534 -9.870 1.00 12.54 C ATOM 1417 CD2 LEU A 90 -8.649 -16.534 -12.187 1.00 12.44 C ATOM 0 H LEU A 90 -5.768 -17.476 -10.003 1.00 4.52 H new ATOM 0 HA LEU A 90 -6.130 -15.596 -12.056 1.00 63.34 H new ATOM 0 HB2 LEU A 90 -7.150 -15.681 -9.190 1.00 43.21 H new ATOM 0 HB3 LEU A 90 -7.762 -14.596 -10.423 1.00 43.21 H new ATOM 0 HG LEU A 90 -7.907 -17.628 -10.510 1.00 31.03 H new ATOM 0 HD11 LEU A 90 -10.335 -17.298 -10.192 1.00 12.54 H new ATOM 0 HD12 LEU A 90 -9.395 -16.676 -8.814 1.00 12.54 H new ATOM 0 HD13 LEU A 90 -10.067 -15.547 -10.015 1.00 12.54 H new ATOM 0 HD21 LEU A 90 -9.373 -17.298 -12.469 1.00 12.44 H new ATOM 0 HD22 LEU A 90 -9.060 -15.547 -12.401 1.00 12.44 H new ATOM 0 HD23 LEU A 90 -7.731 -16.676 -12.758 1.00 12.44 H new ATOM 1429 N GLN A 91 -4.410 -14.565 -9.457 1.00 52.33 N ATOM 1430 CA GLN A 91 -3.511 -13.519 -8.978 1.00 44.25 C ATOM 1431 C GLN A 91 -2.169 -13.635 -9.684 1.00 0.14 C ATOM 1432 O GLN A 91 -1.510 -12.631 -9.966 1.00 24.43 O ATOM 1433 CB GLN A 91 -3.314 -13.611 -7.456 1.00 40.32 C ATOM 1434 CG GLN A 91 -4.541 -13.201 -6.641 1.00 12.45 C ATOM 1435 CD GLN A 91 -5.716 -14.152 -6.794 1.00 74.20 C ATOM 1436 OE1 GLN A 91 -5.430 -15.436 -6.948 1.00 23.24 O flip ATOM 1437 NE2 GLN A 91 -6.874 -13.739 -6.748 1.00 3.21 N flip ATOM 0 H GLN A 91 -4.431 -15.399 -8.870 1.00 52.33 H new ATOM 0 HA GLN A 91 -3.959 -12.551 -9.202 1.00 44.25 H new ATOM 0 HB2 GLN A 91 -3.045 -14.635 -7.197 1.00 40.32 H new ATOM 0 HB3 GLN A 91 -2.474 -12.978 -7.170 1.00 40.32 H new ATOM 0 HG2 GLN A 91 -4.265 -13.143 -5.588 1.00 12.45 H new ATOM 0 HG3 GLN A 91 -4.851 -12.201 -6.944 1.00 12.45 H new ATOM 0 HE21 GLN A 91 -7.056 -12.742 -6.628 1.00 3.21 H new ATOM 0 HE22 GLN A 91 -7.652 -14.393 -6.829 1.00 3.21 H new ATOM 1446 N GLY A 92 -1.772 -14.872 -9.968 1.00 11.13 N ATOM 1447 CA GLY A 92 -0.524 -15.110 -10.675 1.00 34.23 C ATOM 1448 C GLY A 92 0.045 -16.486 -10.396 1.00 75.14 C ATOM 1449 O GLY A 92 -0.579 -17.292 -9.700 1.00 41.34 O ATOM 0 H GLY A 92 -2.292 -15.714 -9.722 1.00 11.13 H new ATOM 0 HA2 GLY A 92 -0.690 -14.999 -11.747 1.00 34.23 H new ATOM 0 HA3 GLY A 92 0.205 -14.353 -10.385 1.00 34.23 H new ATOM 1453 N TRP A 93 1.234 -16.753 -10.930 1.00 61.24 N ATOM 1454 CA TRP A 93 1.886 -18.042 -10.750 1.00 33.44 C ATOM 1455 C TRP A 93 3.398 -17.848 -10.602 1.00 44.25 C ATOM 1456 O TRP A 93 4.155 -18.030 -11.555 1.00 71.23 O ATOM 1457 CB TRP A 93 1.568 -18.960 -11.940 1.00 43.23 C ATOM 1458 CG TRP A 93 1.886 -20.407 -11.696 1.00 30.43 C ATOM 1459 CD1 TRP A 93 2.966 -21.107 -12.150 1.00 31.35 C ATOM 1460 CD2 TRP A 93 1.101 -21.328 -10.933 1.00 22.14 C ATOM 1461 NE1 TRP A 93 2.899 -22.408 -11.718 1.00 14.44 N ATOM 1462 CE2 TRP A 93 1.760 -22.570 -10.969 1.00 25.43 C ATOM 1463 CE3 TRP A 93 -0.098 -21.217 -10.227 1.00 50.15 C ATOM 1464 CZ2 TRP A 93 1.261 -23.695 -10.322 1.00 43.01 C ATOM 1465 CZ3 TRP A 93 -0.596 -22.332 -9.585 1.00 15.35 C ATOM 1466 CH2 TRP A 93 0.083 -23.559 -9.635 1.00 55.20 C ATOM 0 H TRP A 93 1.766 -16.089 -11.493 1.00 61.24 H new ATOM 0 HA TRP A 93 1.509 -18.512 -9.841 1.00 33.44 H new ATOM 0 HB2 TRP A 93 0.510 -18.867 -12.185 1.00 43.23 H new ATOM 0 HB3 TRP A 93 2.128 -18.617 -12.810 1.00 43.23 H new ATOM 0 HD1 TRP A 93 3.758 -20.697 -12.760 1.00 31.35 H new ATOM 0 HE1 TRP A 93 3.584 -23.136 -11.921 1.00 14.44 H new ATOM 0 HE3 TRP A 93 -0.626 -20.276 -10.184 1.00 50.15 H new ATOM 0 HZ2 TRP A 93 1.782 -24.640 -10.359 1.00 43.01 H new ATOM 0 HZ3 TRP A 93 -1.523 -22.259 -9.035 1.00 15.35 H new ATOM 0 HH2 TRP A 93 -0.331 -24.414 -9.121 1.00 55.20 H new ATOM 1477 N PRO A 94 3.854 -17.444 -9.399 1.00 44.24 N ATOM 1478 CA PRO A 94 5.278 -17.167 -9.134 1.00 44.31 C ATOM 1479 C PRO A 94 6.164 -18.391 -9.351 1.00 13.14 C ATOM 1480 O PRO A 94 7.332 -18.265 -9.717 1.00 65.31 O ATOM 1481 CB PRO A 94 5.293 -16.748 -7.657 1.00 70.01 C ATOM 1482 CG PRO A 94 3.894 -16.321 -7.366 1.00 24.04 C ATOM 1483 CD PRO A 94 3.021 -17.207 -8.207 1.00 52.13 C ATOM 0 HA PRO A 94 5.675 -16.410 -9.810 1.00 44.31 H new ATOM 0 HB2 PRO A 94 5.596 -17.575 -7.015 1.00 70.01 H new ATOM 0 HB3 PRO A 94 5.998 -15.935 -7.484 1.00 70.01 H new ATOM 0 HG2 PRO A 94 3.662 -16.433 -6.307 1.00 24.04 H new ATOM 0 HG3 PRO A 94 3.744 -15.271 -7.616 1.00 24.04 H new ATOM 0 HD2 PRO A 94 2.774 -18.137 -7.694 1.00 52.13 H new ATOM 0 HD3 PRO A 94 2.078 -16.723 -8.461 1.00 52.13 H new ATOM 1491 N LEU A 95 5.590 -19.575 -9.139 1.00 20.13 N ATOM 1492 CA LEU A 95 6.318 -20.837 -9.301 1.00 2.45 C ATOM 1493 C LEU A 95 6.751 -21.045 -10.756 1.00 23.05 C ATOM 1494 O LEU A 95 7.450 -22.008 -11.065 1.00 42.11 O ATOM 1495 CB LEU A 95 5.462 -22.022 -8.817 1.00 12.24 C ATOM 1496 CG LEU A 95 5.495 -22.298 -7.301 1.00 45.14 C ATOM 1497 CD1 LEU A 95 5.090 -21.061 -6.502 1.00 71.12 C ATOM 1498 CD2 LEU A 95 4.601 -23.492 -6.953 1.00 44.11 C ATOM 0 H LEU A 95 4.618 -19.688 -8.853 1.00 20.13 H new ATOM 0 HA LEU A 95 7.218 -20.785 -8.688 1.00 2.45 H new ATOM 0 HB2 LEU A 95 4.428 -21.843 -9.112 1.00 12.24 H new ATOM 0 HB3 LEU A 95 5.792 -22.921 -9.338 1.00 12.24 H new ATOM 0 HG LEU A 95 6.520 -22.545 -7.026 1.00 45.14 H new ATOM 0 HD11 LEU A 95 5.124 -21.289 -5.437 1.00 71.12 H new ATOM 0 HD12 LEU A 95 5.779 -20.245 -6.720 1.00 71.12 H new ATOM 0 HD13 LEU A 95 4.078 -20.765 -6.778 1.00 71.12 H new ATOM 0 HD21 LEU A 95 4.637 -23.672 -5.879 1.00 44.11 H new ATOM 0 HD22 LEU A 95 3.575 -23.277 -7.251 1.00 44.11 H new ATOM 0 HD23 LEU A 95 4.955 -24.377 -7.481 1.00 44.11 H new ATOM 1510 N ASP A 96 6.305 -20.148 -11.635 1.00 4.21 N ATOM 1511 CA ASP A 96 6.735 -20.135 -13.031 1.00 41.33 C ATOM 1512 C ASP A 96 8.225 -19.813 -13.134 1.00 64.42 C ATOM 1513 O ASP A 96 8.941 -20.398 -13.953 1.00 63.40 O ATOM 1514 CB ASP A 96 5.904 -19.112 -13.826 1.00 13.44 C ATOM 1515 CG ASP A 96 6.491 -18.792 -15.194 1.00 10.32 C ATOM 1516 OD1 ASP A 96 6.629 -19.714 -16.026 1.00 32.34 O ATOM 1517 OD2 ASP A 96 6.797 -17.608 -15.453 1.00 52.41 O ATOM 0 H ASP A 96 5.638 -19.413 -11.400 1.00 4.21 H new ATOM 0 HA ASP A 96 6.574 -21.126 -13.456 1.00 41.33 H new ATOM 0 HB2 ASP A 96 4.892 -19.497 -13.954 1.00 13.44 H new ATOM 0 HB3 ASP A 96 5.824 -18.191 -13.248 1.00 13.44 H new ATOM 1522 N ASP A 97 8.694 -18.896 -12.288 1.00 25.14 N ATOM 1523 CA ASP A 97 10.100 -18.488 -12.292 1.00 42.42 C ATOM 1524 C ASP A 97 10.658 -18.488 -10.872 1.00 63.11 C ATOM 1525 O ASP A 97 10.372 -17.591 -10.080 1.00 10.23 O ATOM 1526 CB ASP A 97 10.266 -17.110 -12.928 1.00 35.12 C ATOM 1527 CG ASP A 97 11.722 -16.669 -13.004 1.00 13.01 C ATOM 1528 OD1 ASP A 97 12.390 -16.989 -14.010 1.00 24.13 O ATOM 1529 OD2 ASP A 97 12.207 -16.001 -12.065 1.00 25.30 O ATOM 0 H ASP A 97 8.121 -18.421 -11.591 1.00 25.14 H new ATOM 0 HA ASP A 97 10.661 -19.208 -12.888 1.00 42.42 H new ATOM 0 HB2 ASP A 97 9.842 -17.124 -13.932 1.00 35.12 H new ATOM 0 HB3 ASP A 97 9.699 -16.378 -12.353 1.00 35.12 H new ATOM 1534 N PRO A 98 11.457 -19.511 -10.542 1.00 61.44 N ATOM 1535 CA PRO A 98 12.025 -19.701 -9.209 1.00 22.22 C ATOM 1536 C PRO A 98 13.382 -19.010 -9.038 1.00 64.45 C ATOM 1537 O PRO A 98 14.204 -18.993 -9.962 1.00 40.33 O ATOM 1538 CB PRO A 98 12.175 -21.223 -9.146 1.00 75.31 C ATOM 1539 CG PRO A 98 12.470 -21.637 -10.559 1.00 75.22 C ATOM 1540 CD PRO A 98 11.870 -20.579 -11.465 1.00 2.44 C ATOM 0 HA PRO A 98 11.407 -19.272 -8.420 1.00 22.22 H new ATOM 0 HB2 PRO A 98 12.981 -21.514 -8.472 1.00 75.31 H new ATOM 0 HB3 PRO A 98 11.265 -21.695 -8.777 1.00 75.31 H new ATOM 0 HG2 PRO A 98 13.545 -21.719 -10.721 1.00 75.22 H new ATOM 0 HG3 PRO A 98 12.040 -22.616 -10.772 1.00 75.22 H new ATOM 0 HD2 PRO A 98 12.597 -20.218 -12.193 1.00 2.44 H new ATOM 0 HD3 PRO A 98 11.022 -20.970 -12.028 1.00 2.44 H new ATOM 1548 N ARG A 99 13.609 -18.427 -7.860 1.00 2.21 N ATOM 1549 CA ARG A 99 14.915 -17.858 -7.531 1.00 74.20 C ATOM 1550 C ARG A 99 15.894 -18.976 -7.170 1.00 12.43 C ATOM 1551 O ARG A 99 17.065 -18.943 -7.564 1.00 11.52 O ATOM 1552 CB ARG A 99 14.815 -16.837 -6.386 1.00 55.11 C ATOM 1553 CG ARG A 99 14.499 -15.410 -6.844 1.00 55.34 C ATOM 1554 CD ARG A 99 15.663 -14.756 -7.590 1.00 0.14 C ATOM 1555 NE ARG A 99 15.880 -15.325 -8.928 1.00 74.25 N ATOM 1556 CZ ARG A 99 17.053 -15.308 -9.568 1.00 14.31 C ATOM 1557 NH1 ARG A 99 18.134 -14.808 -8.981 1.00 71.15 N ATOM 1558 NH2 ARG A 99 17.147 -15.809 -10.791 1.00 34.22 N ATOM 0 H ARG A 99 12.910 -18.337 -7.123 1.00 2.21 H new ATOM 0 HA ARG A 99 15.285 -17.328 -8.409 1.00 74.20 H new ATOM 0 HB2 ARG A 99 14.042 -17.163 -5.690 1.00 55.11 H new ATOM 0 HB3 ARG A 99 15.756 -16.830 -5.837 1.00 55.11 H new ATOM 0 HG2 ARG A 99 13.622 -15.427 -7.491 1.00 55.34 H new ATOM 0 HG3 ARG A 99 14.243 -14.803 -5.976 1.00 55.34 H new ATOM 0 HD2 ARG A 99 15.473 -13.687 -7.682 1.00 0.14 H new ATOM 0 HD3 ARG A 99 16.574 -14.868 -7.001 1.00 0.14 H new ATOM 0 HE ARG A 99 15.086 -15.760 -9.397 1.00 74.25 H new ATOM 0 HH11 ARG A 99 18.073 -14.433 -8.034 1.00 71.15 H new ATOM 0 HH12 ARG A 99 19.025 -14.799 -9.477 1.00 71.15 H new ATOM 0 HH21 ARG A 99 16.324 -16.207 -11.244 1.00 34.22 H new ATOM 0 HH22 ARG A 99 18.042 -15.796 -11.280 1.00 34.22 H new ATOM 1572 N ASP A 100 15.405 -19.953 -6.412 1.00 34.03 N ATOM 1573 CA ASP A 100 16.175 -21.157 -6.099 1.00 4.54 C ATOM 1574 C ASP A 100 15.984 -22.168 -7.236 1.00 5.05 C ATOM 1575 O ASP A 100 15.256 -21.891 -8.194 1.00 4.23 O ATOM 1576 CB ASP A 100 15.710 -21.750 -4.752 1.00 74.24 C ATOM 1577 CG ASP A 100 16.671 -22.792 -4.178 1.00 41.42 C ATOM 1578 OD1 ASP A 100 16.570 -23.984 -4.545 1.00 64.40 O ATOM 1579 OD2 ASP A 100 17.538 -22.422 -3.355 1.00 53.41 O ATOM 0 H ASP A 100 14.472 -19.935 -6.000 1.00 34.03 H new ATOM 0 HA ASP A 100 17.233 -20.912 -6.007 1.00 4.54 H new ATOM 0 HB2 ASP A 100 15.590 -20.942 -4.031 1.00 74.24 H new ATOM 0 HB3 ASP A 100 14.729 -22.207 -4.885 1.00 74.24 H new ATOM 1584 N GLY A 101 16.633 -23.323 -7.148 1.00 74.34 N ATOM 1585 CA GLY A 101 16.482 -24.340 -8.171 1.00 25.12 C ATOM 1586 C GLY A 101 17.713 -25.209 -8.306 1.00 52.40 C ATOM 1587 O GLY A 101 18.593 -24.926 -9.123 1.00 71.02 O ATOM 0 H GLY A 101 17.262 -23.573 -6.385 1.00 74.34 H new ATOM 0 HA2 GLY A 101 15.623 -24.967 -7.933 1.00 25.12 H new ATOM 0 HA3 GLY A 101 16.272 -23.861 -9.127 1.00 25.12 H new ATOM 1591 N GLU A 102 17.784 -26.258 -7.493 1.00 61.22 N ATOM 1592 CA GLU A 102 18.882 -27.218 -7.550 1.00 32.33 C ATOM 1593 C GLU A 102 18.941 -27.877 -8.929 1.00 51.53 C ATOM 1594 O GLU A 102 17.929 -28.357 -9.447 1.00 60.02 O ATOM 1595 CB GLU A 102 18.713 -28.282 -6.452 1.00 34.42 C ATOM 1596 CG GLU A 102 17.440 -29.118 -6.588 1.00 13.32 C ATOM 1597 CD GLU A 102 17.224 -30.070 -5.423 1.00 54.40 C ATOM 1598 OE1 GLU A 102 17.959 -31.075 -5.317 1.00 2.40 O ATOM 1599 OE2 GLU A 102 16.315 -29.820 -4.605 1.00 20.04 O ATOM 0 H GLU A 102 17.086 -26.467 -6.779 1.00 61.22 H new ATOM 0 HA GLU A 102 19.820 -26.689 -7.381 1.00 32.33 H new ATOM 0 HB2 GLU A 102 19.576 -28.947 -6.469 1.00 34.42 H new ATOM 0 HB3 GLU A 102 18.710 -27.789 -5.480 1.00 34.42 H new ATOM 0 HG2 GLU A 102 16.582 -28.451 -6.668 1.00 13.32 H new ATOM 0 HG3 GLU A 102 17.486 -29.691 -7.514 1.00 13.32 H new ATOM 1606 N GLU A 103 20.123 -27.876 -9.529 1.00 70.30 N ATOM 1607 CA GLU A 103 20.314 -28.473 -10.846 1.00 12.44 C ATOM 1608 C GLU A 103 20.499 -29.988 -10.719 1.00 42.42 C ATOM 1609 O GLU A 103 21.181 -30.457 -9.802 1.00 71.41 O ATOM 1610 CB GLU A 103 21.520 -27.829 -11.544 1.00 24.55 C ATOM 1611 CG GLU A 103 21.815 -28.375 -12.939 1.00 24.21 C ATOM 1612 CD GLU A 103 22.988 -27.672 -13.604 1.00 42.24 C ATOM 1613 OE1 GLU A 103 22.780 -26.594 -14.200 1.00 25.23 O ATOM 1614 OE2 GLU A 103 24.123 -28.191 -13.527 1.00 42.02 O ATOM 0 H GLU A 103 20.966 -27.468 -9.125 1.00 70.30 H new ATOM 0 HA GLU A 103 19.428 -28.290 -11.453 1.00 12.44 H new ATOM 0 HB2 GLU A 103 21.349 -26.755 -11.617 1.00 24.55 H new ATOM 0 HB3 GLU A 103 22.402 -27.970 -10.919 1.00 24.55 H new ATOM 0 HG2 GLU A 103 22.027 -29.442 -12.871 1.00 24.21 H new ATOM 0 HG3 GLU A 103 20.928 -28.265 -13.564 1.00 24.21 H new ATOM 1621 N PRO A 104 19.879 -30.777 -11.621 1.00 15.24 N ATOM 1622 CA PRO A 104 19.998 -32.239 -11.620 1.00 63.11 C ATOM 1623 C PRO A 104 21.353 -32.697 -12.158 1.00 31.14 C ATOM 1624 O PRO A 104 22.317 -31.926 -12.186 1.00 73.41 O ATOM 1625 CB PRO A 104 18.854 -32.707 -12.551 1.00 43.14 C ATOM 1626 CG PRO A 104 18.081 -31.475 -12.911 1.00 23.44 C ATOM 1627 CD PRO A 104 19.019 -30.315 -12.717 1.00 13.25 C ATOM 0 HA PRO A 104 19.928 -32.655 -10.615 1.00 63.11 H new ATOM 0 HB2 PRO A 104 19.251 -33.192 -13.443 1.00 43.14 H new ATOM 0 HB3 PRO A 104 18.216 -33.435 -12.049 1.00 43.14 H new ATOM 0 HG2 PRO A 104 17.731 -31.523 -13.942 1.00 23.44 H new ATOM 0 HG3 PRO A 104 17.199 -31.371 -12.279 1.00 23.44 H new ATOM 0 HD2 PRO A 104 19.592 -30.102 -13.619 1.00 13.25 H new ATOM 0 HD3 PRO A 104 18.485 -29.401 -12.455 1.00 13.25 H new ATOM 1635 N ASP A 105 21.431 -33.962 -12.564 1.00 4.41 N ATOM 1636 CA ASP A 105 22.647 -34.500 -13.173 1.00 54.35 C ATOM 1637 C ASP A 105 22.847 -33.926 -14.573 1.00 44.21 C ATOM 1638 O ASP A 105 21.879 -33.678 -15.302 1.00 12.41 O ATOM 1639 CB ASP A 105 22.594 -36.036 -13.239 1.00 3.32 C ATOM 1640 CG ASP A 105 23.718 -36.628 -14.086 1.00 1.22 C ATOM 1641 OD1 ASP A 105 24.890 -36.248 -13.889 1.00 52.25 O ATOM 1642 OD2 ASP A 105 23.426 -37.461 -14.973 1.00 55.20 O ATOM 0 H ASP A 105 20.668 -34.634 -12.483 1.00 4.41 H new ATOM 0 HA ASP A 105 23.491 -34.208 -12.548 1.00 54.35 H new ATOM 0 HB2 ASP A 105 22.654 -36.441 -12.229 1.00 3.32 H new ATOM 0 HB3 ASP A 105 21.633 -36.345 -13.650 1.00 3.32 H new ATOM 1647 N GLY A 106 24.106 -33.732 -14.946 1.00 62.13 N ATOM 1648 CA GLY A 106 24.438 -33.190 -16.247 1.00 11.31 C ATOM 1649 C GLY A 106 25.673 -33.847 -16.825 1.00 65.20 C ATOM 1650 O GLY A 106 26.769 -33.284 -16.758 1.00 31.24 O ATOM 0 H GLY A 106 24.913 -33.945 -14.360 1.00 62.13 H new ATOM 0 HA2 GLY A 106 23.598 -33.332 -16.926 1.00 11.31 H new ATOM 0 HA3 GLY A 106 24.602 -32.116 -16.163 1.00 11.31 H new ATOM 1654 N GLU A 107 25.492 -35.058 -17.365 1.00 23.42 N ATOM 1655 CA GLU A 107 26.573 -35.817 -18.000 1.00 2.20 C ATOM 1656 C GLU A 107 27.632 -36.241 -16.976 1.00 40.21 C ATOM 1657 O GLU A 107 28.742 -36.630 -17.343 1.00 12.10 O ATOM 1658 CB GLU A 107 27.212 -34.986 -19.121 1.00 33.32 C ATOM 1659 CG GLU A 107 26.228 -34.566 -20.209 1.00 33.22 C ATOM 1660 CD GLU A 107 26.834 -33.586 -21.199 1.00 63.21 C ATOM 1661 OE1 GLU A 107 26.852 -32.374 -20.902 1.00 44.23 O ATOM 1662 OE2 GLU A 107 27.291 -34.020 -22.280 1.00 2.52 O ATOM 0 H GLU A 107 24.592 -35.538 -17.373 1.00 23.42 H new ATOM 0 HA GLU A 107 26.145 -36.723 -18.429 1.00 2.20 H new ATOM 0 HB2 GLU A 107 27.664 -34.094 -18.688 1.00 33.32 H new ATOM 0 HB3 GLU A 107 28.018 -35.563 -19.575 1.00 33.32 H new ATOM 0 HG2 GLU A 107 25.884 -35.451 -20.744 1.00 33.22 H new ATOM 0 HG3 GLU A 107 25.351 -34.113 -19.746 1.00 33.22 H new ATOM 1669 N SER A 108 27.277 -36.192 -15.696 1.00 21.32 N ATOM 1670 CA SER A 108 28.204 -36.542 -14.625 1.00 31.33 C ATOM 1671 C SER A 108 28.011 -38.001 -14.213 1.00 60.00 C ATOM 1672 O SER A 108 28.982 -38.741 -14.029 1.00 11.30 O ATOM 1673 CB SER A 108 27.993 -35.609 -13.422 1.00 12.23 C ATOM 1674 OG SER A 108 28.917 -35.880 -12.384 1.00 51.11 O ATOM 0 H SER A 108 26.350 -35.912 -15.374 1.00 21.32 H new ATOM 0 HA SER A 108 29.225 -36.420 -14.986 1.00 31.33 H new ATOM 0 HB2 SER A 108 28.098 -34.572 -13.742 1.00 12.23 H new ATOM 0 HB3 SER A 108 26.977 -35.725 -13.045 1.00 12.23 H new ATOM 0 HG SER A 108 28.756 -35.268 -11.635 1.00 51.11 H new ATOM 1680 N GLY A 109 26.750 -38.408 -14.082 1.00 11.40 N ATOM 1681 CA GLY A 109 26.434 -39.766 -13.685 1.00 74.12 C ATOM 1682 C GLY A 109 26.795 -40.776 -14.756 1.00 72.41 C ATOM 1683 O GLY A 109 25.951 -41.150 -15.574 1.00 14.04 O ATOM 0 H GLY A 109 25.937 -37.814 -14.246 1.00 11.40 H new ATOM 0 HA2 GLY A 109 26.968 -40.007 -12.766 1.00 74.12 H new ATOM 0 HA3 GLY A 109 25.369 -39.839 -13.463 1.00 74.12 H new ATOM 1687 N GLY A 110 28.058 -41.185 -14.772 1.00 13.43 N ATOM 1688 CA GLY A 110 28.508 -42.216 -15.688 1.00 33.40 C ATOM 1689 C GLY A 110 28.633 -43.562 -14.997 1.00 63.40 C ATOM 1690 O GLY A 110 29.570 -43.763 -14.219 1.00 25.54 O ATOM 0 H GLY A 110 28.786 -40.816 -14.160 1.00 13.43 H new ATOM 0 HA2 GLY A 110 27.807 -42.297 -16.519 1.00 33.40 H new ATOM 0 HA3 GLY A 110 29.472 -41.932 -16.111 1.00 33.40 H new ATOM 1694 N PRO A 111 27.692 -44.497 -15.238 1.00 53.01 N ATOM 1695 CA PRO A 111 27.722 -45.830 -14.625 1.00 61.42 C ATOM 1696 C PRO A 111 29.018 -46.572 -14.951 1.00 45.21 C ATOM 1697 O PRO A 111 29.273 -46.924 -16.106 1.00 22.42 O ATOM 1698 CB PRO A 111 26.511 -46.549 -15.246 1.00 10.14 C ATOM 1699 CG PRO A 111 25.613 -45.450 -15.707 1.00 0.34 C ATOM 1700 CD PRO A 111 26.525 -44.330 -16.127 1.00 40.33 C ATOM 0 HA PRO A 111 27.679 -45.783 -13.537 1.00 61.42 H new ATOM 0 HB2 PRO A 111 26.813 -47.188 -16.076 1.00 10.14 H new ATOM 0 HB3 PRO A 111 26.013 -47.188 -14.517 1.00 10.14 H new ATOM 0 HG2 PRO A 111 24.987 -45.778 -16.537 1.00 0.34 H new ATOM 0 HG3 PRO A 111 24.943 -45.131 -14.909 1.00 0.34 H new ATOM 0 HD2 PRO A 111 26.804 -44.410 -17.178 1.00 40.33 H new ATOM 0 HD3 PRO A 111 26.054 -43.356 -15.995 1.00 40.33 H new ATOM 1708 N ARG A 112 29.840 -46.790 -13.933 1.00 2.23 N ATOM 1709 CA ARG A 112 31.127 -47.455 -14.100 1.00 23.43 C ATOM 1710 C ARG A 112 31.276 -48.564 -13.059 1.00 64.04 C ATOM 1711 O ARG A 112 31.783 -48.285 -11.955 1.00 53.13 O ATOM 1712 CB ARG A 112 32.271 -46.435 -13.975 1.00 24.42 C ATOM 1713 CG ARG A 112 32.266 -45.366 -15.064 1.00 72.30 C ATOM 1714 CD ARG A 112 33.341 -44.311 -14.831 1.00 52.41 C ATOM 1715 NE ARG A 112 33.087 -43.516 -13.622 1.00 62.15 N ATOM 1716 CZ ARG A 112 33.972 -43.337 -12.638 1.00 31.24 C ATOM 1717 NH1 ARG A 112 35.151 -43.954 -12.673 1.00 32.13 N ATOM 1718 NH2 ARG A 112 33.669 -42.551 -11.614 1.00 30.31 N ATOM 1719 OXT ARG A 112 30.868 -49.708 -13.345 1.00 0.00 O ATOM 0 H ARG A 112 29.636 -46.513 -12.973 1.00 2.23 H new ATOM 0 HA ARG A 112 31.174 -47.901 -15.093 1.00 23.43 H new ATOM 0 HB2 ARG A 112 32.207 -45.949 -13.002 1.00 24.42 H new ATOM 0 HB3 ARG A 112 33.223 -46.965 -14.004 1.00 24.42 H new ATOM 0 HG2 ARG A 112 32.423 -45.836 -16.035 1.00 72.30 H new ATOM 0 HG3 ARG A 112 31.288 -44.886 -15.097 1.00 72.30 H new ATOM 0 HD2 ARG A 112 34.313 -44.798 -14.746 1.00 52.41 H new ATOM 0 HD3 ARG A 112 33.391 -43.649 -15.695 1.00 52.41 H new ATOM 0 HE ARG A 112 32.174 -43.071 -13.528 1.00 62.15 H new ATOM 0 HH11 ARG A 112 35.383 -44.567 -13.454 1.00 32.13 H new ATOM 0 HH12 ARG A 112 35.823 -43.813 -11.919 1.00 32.13 H new ATOM 0 HH21 ARG A 112 32.762 -42.085 -11.579 1.00 30.31 H new ATOM 0 HH22 ARG A 112 34.343 -42.412 -10.861 1.00 30.31 H new TER 1733 ARG A 112