USER MOD reduce.3.24.130724 H: found=0, std=0, add=734, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 734 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 14 SER OG : rot 62:sc= 1.42 USER MOD Set 1.2: A 84 HIS : no HD1:sc= 0.0718 K(o=1.5,f=-8.2!) USER MOD Single : A 1 MET CE :methyl -152:sc= -3.01! (180deg=-4.77!) USER MOD Single : A 1 MET N :NH3+ 143:sc= 0.0245 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= -1.28 K(o=-1.3,f=-6.3!) USER MOD Single : A 13 LYS NZ :NH3+ -155:sc= -0.136 (180deg=-0.652) USER MOD Single : A 15 LYS NZ :NH3+ 155:sc= 1.21 (180deg=0.509) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 69:sc= 1.36 USER MOD Single : A 26 LYS NZ :NH3+ 178:sc= 1.01 (180deg=1.01) USER MOD Single : A 30 LYS NZ :NH3+ -165:sc= 1.22 (180deg=1.06) USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 MET CE :methyl -138:sc= -1.22 (180deg=-2.38) USER MOD Single : A 40 THR OG1 : rot -140:sc= 0.745 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl -140:sc= -0.266 (180deg=-1.2) USER MOD Single : A 61 TYR OH : rot 29:sc= -1.68! USER MOD Single : A 62 SER OG : rot 30:sc= 1.12 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 161:sc= 1.22 (180deg=1.21) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 HIS : no HD1:sc= 0.199! C(o=0.2!,f=-5.8!) USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 83 HIS : no HE2:sc= 0.45 K(o=0.45,f=-2.7!) USER MOD Single : A 85 HIS : no HE2:sc= 0.923 K(o=0.92,f=-5.1!) USER MOD Single : A 86 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.960 6.925 17.840 1.00 54.21 N ATOM 2 CA MET A 1 7.204 6.248 17.413 1.00 21.25 C ATOM 3 C MET A 1 7.108 5.876 15.943 1.00 33.42 C ATOM 4 O MET A 1 6.060 5.429 15.483 1.00 61.03 O ATOM 5 CB MET A 1 7.437 4.987 18.252 1.00 45.20 C ATOM 6 CG MET A 1 8.815 4.359 18.078 1.00 64.31 C ATOM 7 SD MET A 1 10.096 5.158 19.077 1.00 14.04 S ATOM 8 CE MET A 1 10.291 6.741 18.256 1.00 31.34 C ATOM 0 H1 MET A 1 5.724 6.637 18.811 1.00 54.21 H new ATOM 0 H2 MET A 1 6.097 7.955 17.808 1.00 54.21 H new ATOM 0 H3 MET A 1 5.183 6.659 17.202 1.00 54.21 H new ATOM 0 HA MET A 1 8.043 6.928 17.559 1.00 21.25 H new ATOM 0 HB2 MET A 1 7.294 5.234 19.304 1.00 45.20 H new ATOM 0 HB3 MET A 1 6.679 4.248 17.992 1.00 45.20 H new ATOM 0 HG2 MET A 1 8.762 3.303 18.344 1.00 64.31 H new ATOM 0 HG3 MET A 1 9.100 4.409 17.027 1.00 64.31 H new ATOM 0 HE1 MET A 1 11.306 7.107 18.408 1.00 31.34 H new ATOM 0 HE2 MET A 1 10.104 6.623 17.189 1.00 31.34 H new ATOM 0 HE3 MET A 1 9.581 7.456 18.672 1.00 31.34 H new ATOM 20 N THR A 2 8.196 6.063 15.209 1.00 43.43 N ATOM 21 CA THR A 2 8.206 5.778 13.784 1.00 75.41 C ATOM 22 C THR A 2 8.362 4.282 13.521 1.00 1.25 C ATOM 23 O THR A 2 9.441 3.717 13.702 1.00 71.04 O ATOM 24 CB THR A 2 9.343 6.539 13.076 1.00 71.33 C ATOM 25 OG1 THR A 2 9.310 7.923 13.449 1.00 14.23 O ATOM 26 CG2 THR A 2 9.226 6.419 11.563 1.00 31.42 C ATOM 0 H THR A 2 9.081 6.410 15.578 1.00 43.43 H new ATOM 0 HA THR A 2 7.248 6.111 13.383 1.00 75.41 H new ATOM 0 HB THR A 2 10.289 6.096 13.386 1.00 71.33 H new ATOM 0 HG1 THR A 2 10.036 8.401 12.997 1.00 14.23 H new ATOM 0 HG21 THR A 2 10.042 6.966 11.090 1.00 31.42 H new ATOM 0 HG22 THR A 2 9.279 5.369 11.276 1.00 31.42 H new ATOM 0 HG23 THR A 2 8.273 6.836 11.238 1.00 31.42 H new ATOM 34 N LYS A 3 7.274 3.645 13.123 1.00 41.42 N ATOM 35 CA LYS A 3 7.306 2.250 12.721 1.00 40.20 C ATOM 36 C LYS A 3 6.435 2.053 11.491 1.00 74.42 C ATOM 37 O LYS A 3 5.241 2.342 11.519 1.00 13.43 O ATOM 38 CB LYS A 3 6.827 1.340 13.859 1.00 4.24 C ATOM 39 CG LYS A 3 6.755 -0.130 13.471 1.00 41.45 C ATOM 40 CD LYS A 3 6.294 -1.009 14.624 1.00 74.11 C ATOM 41 CE LYS A 3 7.317 -1.046 15.747 1.00 35.21 C ATOM 42 NZ LYS A 3 6.946 -2.024 16.801 1.00 25.31 N ATOM 0 H LYS A 3 6.351 4.076 13.070 1.00 41.42 H new ATOM 0 HA LYS A 3 8.335 1.980 12.483 1.00 40.20 H new ATOM 0 HB2 LYS A 3 7.499 1.451 14.710 1.00 4.24 H new ATOM 0 HB3 LYS A 3 5.841 1.670 14.187 1.00 4.24 H new ATOM 0 HG2 LYS A 3 6.071 -0.249 12.631 1.00 41.45 H new ATOM 0 HG3 LYS A 3 7.736 -0.463 13.133 1.00 41.45 H new ATOM 0 HD2 LYS A 3 5.345 -0.636 15.009 1.00 74.11 H new ATOM 0 HD3 LYS A 3 6.115 -2.021 14.261 1.00 74.11 H new ATOM 0 HE2 LYS A 3 8.294 -1.304 15.340 1.00 35.21 H new ATOM 0 HE3 LYS A 3 7.408 -0.053 16.188 1.00 35.21 H new ATOM 0 HZ1 LYS A 3 7.669 -2.019 17.549 1.00 25.31 H new ATOM 0 HZ2 LYS A 3 6.025 -1.763 17.208 1.00 25.31 H new ATOM 0 HZ3 LYS A 3 6.884 -2.975 16.386 1.00 25.31 H new ATOM 56 N GLY A 4 7.033 1.586 10.415 1.00 74.34 N ATOM 57 CA GLY A 4 6.289 1.385 9.193 1.00 51.12 C ATOM 58 C GLY A 4 6.706 0.124 8.473 1.00 22.22 C ATOM 59 O GLY A 4 7.878 -0.257 8.502 1.00 20.25 O ATOM 0 H GLY A 4 8.022 1.341 10.363 1.00 74.34 H new ATOM 0 HA2 GLY A 4 5.224 1.336 9.422 1.00 51.12 H new ATOM 0 HA3 GLY A 4 6.435 2.242 8.536 1.00 51.12 H new ATOM 63 N ILE A 5 5.753 -0.526 7.832 1.00 1.03 N ATOM 64 CA ILE A 5 6.026 -1.736 7.080 1.00 72.23 C ATOM 65 C ILE A 5 5.891 -1.458 5.594 1.00 61.53 C ATOM 66 O ILE A 5 5.420 -0.390 5.197 1.00 3.12 O ATOM 67 CB ILE A 5 5.068 -2.882 7.475 1.00 34.24 C ATOM 68 CG1 ILE A 5 3.608 -2.454 7.281 1.00 11.42 C ATOM 69 CG2 ILE A 5 5.319 -3.310 8.915 1.00 54.33 C ATOM 70 CD1 ILE A 5 2.608 -3.552 7.580 1.00 22.14 C ATOM 0 H ILE A 5 4.776 -0.233 7.817 1.00 1.03 H new ATOM 0 HA ILE A 5 7.044 -2.049 7.313 1.00 72.23 H new ATOM 0 HB ILE A 5 5.261 -3.736 6.825 1.00 34.24 H new ATOM 0 HG12 ILE A 5 3.400 -1.600 7.925 1.00 11.42 H new ATOM 0 HG13 ILE A 5 3.470 -2.119 6.253 1.00 11.42 H new ATOM 0 HG21 ILE A 5 4.637 -4.118 9.179 1.00 54.33 H new ATOM 0 HG22 ILE A 5 6.348 -3.656 9.018 1.00 54.33 H new ATOM 0 HG23 ILE A 5 5.153 -2.463 9.581 1.00 54.33 H new ATOM 0 HD11 ILE A 5 1.597 -3.177 7.421 1.00 22.14 H new ATOM 0 HD12 ILE A 5 2.789 -4.399 6.918 1.00 22.14 H new ATOM 0 HD13 ILE A 5 2.718 -3.872 8.616 1.00 22.14 H new ATOM 82 N GLY A 6 6.309 -2.407 4.777 1.00 65.23 N ATOM 83 CA GLY A 6 6.157 -2.253 3.352 1.00 42.23 C ATOM 84 C GLY A 6 4.737 -2.534 2.918 1.00 11.33 C ATOM 85 O GLY A 6 3.996 -3.222 3.621 1.00 22.01 O ATOM 0 H GLY A 6 6.749 -3.278 5.074 1.00 65.23 H new ATOM 0 HA2 GLY A 6 6.434 -1.240 3.062 1.00 42.23 H new ATOM 0 HA3 GLY A 6 6.838 -2.930 2.836 1.00 42.23 H new ATOM 89 N LEU A 7 4.359 -2.014 1.761 1.00 20.51 N ATOM 90 CA LEU A 7 2.995 -2.146 1.268 1.00 22.34 C ATOM 91 C LEU A 7 2.658 -3.605 0.956 1.00 21.03 C ATOM 92 O LEU A 7 1.489 -3.976 0.871 1.00 54.21 O ATOM 93 CB LEU A 7 2.811 -1.269 0.027 1.00 52.14 C ATOM 94 CG LEU A 7 1.383 -1.159 -0.499 1.00 13.32 C ATOM 95 CD1 LEU A 7 0.479 -0.521 0.543 1.00 61.13 C ATOM 96 CD2 LEU A 7 1.362 -0.356 -1.789 1.00 41.42 C ATOM 0 H LEU A 7 4.981 -1.494 1.142 1.00 20.51 H new ATOM 0 HA LEU A 7 2.309 -1.812 2.046 1.00 22.34 H new ATOM 0 HB2 LEU A 7 3.173 -0.267 0.256 1.00 52.14 H new ATOM 0 HB3 LEU A 7 3.443 -1.661 -0.770 1.00 52.14 H new ATOM 0 HG LEU A 7 1.008 -2.161 -0.707 1.00 13.32 H new ATOM 0 HD11 LEU A 7 -0.535 -0.451 0.151 1.00 61.13 H new ATOM 0 HD12 LEU A 7 0.477 -1.132 1.446 1.00 61.13 H new ATOM 0 HD13 LEU A 7 0.846 0.477 0.781 1.00 61.13 H new ATOM 0 HD21 LEU A 7 0.338 -0.284 -2.156 1.00 41.42 H new ATOM 0 HD22 LEU A 7 1.752 0.644 -1.601 1.00 41.42 H new ATOM 0 HD23 LEU A 7 1.981 -0.852 -2.537 1.00 41.42 H new ATOM 108 N ASN A 8 3.683 -4.436 0.803 1.00 30.44 N ATOM 109 CA ASN A 8 3.477 -5.847 0.511 1.00 35.41 C ATOM 110 C ASN A 8 3.440 -6.679 1.791 1.00 53.21 C ATOM 111 O ASN A 8 3.271 -7.898 1.746 1.00 51.41 O ATOM 112 CB ASN A 8 4.563 -6.378 -0.439 1.00 24.43 C ATOM 113 CG ASN A 8 5.985 -6.207 0.082 1.00 40.35 C ATOM 114 OD1 ASN A 8 6.239 -6.210 1.285 1.00 42.12 O ATOM 115 ND2 ASN A 8 6.931 -6.064 -0.832 1.00 1.24 N ATOM 0 H ASN A 8 4.661 -4.157 0.876 1.00 30.44 H new ATOM 0 HA ASN A 8 2.510 -5.940 0.017 1.00 35.41 H new ATOM 0 HB2 ASN A 8 4.381 -7.436 -0.626 1.00 24.43 H new ATOM 0 HB3 ASN A 8 4.475 -5.865 -1.397 1.00 24.43 H new ATOM 0 HD21 ASN A 8 7.904 -5.952 -0.546 1.00 1.24 H new ATOM 0 HD22 ASN A 8 6.688 -6.066 -1.823 1.00 1.24 H new ATOM 122 N GLU A 9 3.592 -6.015 2.932 1.00 1.33 N ATOM 123 CA GLU A 9 3.604 -6.686 4.220 1.00 2.24 C ATOM 124 C GLU A 9 2.297 -6.447 4.963 1.00 2.44 C ATOM 125 O GLU A 9 2.143 -6.847 6.118 1.00 53.21 O ATOM 126 CB GLU A 9 4.767 -6.170 5.064 1.00 43.51 C ATOM 127 CG GLU A 9 6.125 -6.362 4.420 1.00 31.13 C ATOM 128 CD GLU A 9 7.268 -5.975 5.336 1.00 35.54 C ATOM 129 OE1 GLU A 9 7.456 -4.767 5.593 1.00 65.42 O ATOM 130 OE2 GLU A 9 7.978 -6.884 5.818 1.00 43.44 O ATOM 0 H GLU A 9 3.709 -5.003 2.987 1.00 1.33 H new ATOM 0 HA GLU A 9 3.722 -7.756 4.048 1.00 2.24 H new ATOM 0 HB2 GLU A 9 4.617 -5.109 5.262 1.00 43.51 H new ATOM 0 HB3 GLU A 9 4.758 -6.679 6.028 1.00 43.51 H new ATOM 0 HG2 GLU A 9 6.238 -7.405 4.126 1.00 31.13 H new ATOM 0 HG3 GLU A 9 6.178 -5.766 3.509 1.00 31.13 H new ATOM 137 N VAL A 10 1.352 -5.803 4.295 1.00 33.20 N ATOM 138 CA VAL A 10 0.101 -5.416 4.927 1.00 53.51 C ATOM 139 C VAL A 10 -0.940 -6.532 4.809 1.00 3.10 C ATOM 140 O VAL A 10 -0.858 -7.385 3.925 1.00 32.14 O ATOM 141 CB VAL A 10 -0.467 -4.122 4.307 1.00 31.11 C ATOM 142 CG1 VAL A 10 -1.589 -3.552 5.160 1.00 13.41 C ATOM 143 CG2 VAL A 10 0.629 -3.089 4.106 1.00 54.13 C ATOM 0 H VAL A 10 1.429 -5.537 3.313 1.00 33.20 H new ATOM 0 HA VAL A 10 0.317 -5.235 5.980 1.00 53.51 H new ATOM 0 HB VAL A 10 -0.880 -4.376 3.331 1.00 31.11 H new ATOM 0 HG11 VAL A 10 -1.970 -2.641 4.699 1.00 13.41 H new ATOM 0 HG12 VAL A 10 -2.394 -4.283 5.238 1.00 13.41 H new ATOM 0 HG13 VAL A 10 -1.209 -3.323 6.156 1.00 13.41 H new ATOM 0 HG21 VAL A 10 0.203 -2.187 3.668 1.00 54.13 H new ATOM 0 HG22 VAL A 10 1.081 -2.847 5.068 1.00 54.13 H new ATOM 0 HG23 VAL A 10 1.390 -3.492 3.438 1.00 54.13 H new ATOM 153 N GLU A 11 -1.912 -6.507 5.708 1.00 43.22 N ATOM 154 CA GLU A 11 -2.983 -7.492 5.733 1.00 65.20 C ATOM 155 C GLU A 11 -4.249 -6.906 5.125 1.00 32.34 C ATOM 156 O GLU A 11 -4.374 -5.690 4.981 1.00 50.43 O ATOM 157 CB GLU A 11 -3.245 -7.930 7.176 1.00 62.13 C ATOM 158 CG GLU A 11 -4.119 -9.164 7.322 1.00 71.11 C ATOM 159 CD GLU A 11 -4.365 -9.524 8.773 1.00 22.12 C ATOM 160 OE1 GLU A 11 -4.767 -8.633 9.549 1.00 30.12 O ATOM 161 OE2 GLU A 11 -4.135 -10.690 9.149 1.00 54.21 O ATOM 0 H GLU A 11 -1.981 -5.802 6.442 1.00 43.22 H new ATOM 0 HA GLU A 11 -2.684 -8.360 5.145 1.00 65.20 H new ATOM 0 HB2 GLU A 11 -2.288 -8.121 7.662 1.00 62.13 H new ATOM 0 HB3 GLU A 11 -3.715 -7.105 7.711 1.00 62.13 H new ATOM 0 HG2 GLU A 11 -5.074 -8.991 6.826 1.00 71.11 H new ATOM 0 HG3 GLU A 11 -3.644 -10.005 6.816 1.00 71.11 H new ATOM 168 N ILE A 12 -5.188 -7.774 4.798 1.00 11.32 N ATOM 169 CA ILE A 12 -6.431 -7.363 4.156 1.00 25.44 C ATOM 170 C ILE A 12 -7.379 -6.711 5.158 1.00 63.11 C ATOM 171 O ILE A 12 -7.154 -6.773 6.370 1.00 4.00 O ATOM 172 CB ILE A 12 -7.146 -8.558 3.489 1.00 5.11 C ATOM 173 CG1 ILE A 12 -7.462 -9.639 4.527 1.00 54.22 C ATOM 174 CG2 ILE A 12 -6.288 -9.125 2.366 1.00 30.44 C ATOM 175 CD1 ILE A 12 -8.232 -10.818 3.970 1.00 33.53 C ATOM 0 H ILE A 12 -5.116 -8.777 4.967 1.00 11.32 H new ATOM 0 HA ILE A 12 -6.163 -6.637 3.388 1.00 25.44 H new ATOM 0 HB ILE A 12 -8.086 -8.209 3.062 1.00 5.11 H new ATOM 0 HG12 ILE A 12 -6.528 -9.999 4.958 1.00 54.22 H new ATOM 0 HG13 ILE A 12 -8.037 -9.193 5.338 1.00 54.22 H new ATOM 0 HG21 ILE A 12 -6.803 -9.967 1.904 1.00 30.44 H new ATOM 0 HG22 ILE A 12 -6.111 -8.353 1.618 1.00 30.44 H new ATOM 0 HG23 ILE A 12 -5.334 -9.462 2.772 1.00 30.44 H new ATOM 0 HD11 ILE A 12 -8.417 -11.540 4.765 1.00 33.53 H new ATOM 0 HD12 ILE A 12 -9.183 -10.473 3.565 1.00 33.53 H new ATOM 0 HD13 ILE A 12 -7.651 -11.291 3.179 1.00 33.53 H new ATOM 187 N LYS A 13 -8.416 -6.052 4.633 1.00 72.32 N ATOM 188 CA LYS A 13 -9.464 -5.434 5.451 1.00 4.14 C ATOM 189 C LYS A 13 -8.914 -4.280 6.281 1.00 13.23 C ATOM 190 O LYS A 13 -9.604 -3.733 7.143 1.00 13.11 O ATOM 191 CB LYS A 13 -10.115 -6.472 6.370 1.00 25.52 C ATOM 192 CG LYS A 13 -11.010 -7.454 5.640 1.00 43.14 C ATOM 193 CD LYS A 13 -11.546 -8.517 6.581 1.00 24.41 C ATOM 194 CE LYS A 13 -12.745 -9.232 5.983 1.00 74.50 C ATOM 195 NZ LYS A 13 -13.884 -8.302 5.771 1.00 13.50 N ATOM 0 H LYS A 13 -8.553 -5.932 3.629 1.00 72.32 H new ATOM 0 HA LYS A 13 -10.218 -5.037 4.771 1.00 4.14 H new ATOM 0 HB2 LYS A 13 -9.333 -7.024 6.891 1.00 25.52 H new ATOM 0 HB3 LYS A 13 -10.701 -5.955 7.130 1.00 25.52 H new ATOM 0 HG2 LYS A 13 -11.841 -6.919 5.181 1.00 43.14 H new ATOM 0 HG3 LYS A 13 -10.451 -7.928 4.833 1.00 43.14 H new ATOM 0 HD2 LYS A 13 -10.761 -9.241 6.800 1.00 24.41 H new ATOM 0 HD3 LYS A 13 -11.829 -8.058 7.528 1.00 24.41 H new ATOM 0 HE2 LYS A 13 -12.463 -9.686 5.033 1.00 74.50 H new ATOM 0 HE3 LYS A 13 -13.054 -10.042 6.644 1.00 74.50 H new ATOM 0 HZ1 LYS A 13 -14.775 -8.838 5.776 1.00 13.50 H new ATOM 0 HZ2 LYS A 13 -13.901 -7.594 6.533 1.00 13.50 H new ATOM 0 HZ3 LYS A 13 -13.774 -7.822 4.855 1.00 13.50 H new ATOM 209 N SER A 14 -7.683 -3.898 6.004 1.00 12.24 N ATOM 210 CA SER A 14 -7.025 -2.867 6.774 1.00 71.02 C ATOM 211 C SER A 14 -6.821 -1.617 5.938 1.00 33.34 C ATOM 212 O SER A 14 -6.644 -1.691 4.720 1.00 13.43 O ATOM 213 CB SER A 14 -5.678 -3.377 7.283 1.00 41.10 C ATOM 214 OG SER A 14 -5.811 -4.660 7.876 1.00 10.52 O ATOM 0 H SER A 14 -7.119 -4.289 5.249 1.00 12.24 H new ATOM 0 HA SER A 14 -7.660 -2.614 7.623 1.00 71.02 H new ATOM 0 HB2 SER A 14 -4.968 -3.426 6.457 1.00 41.10 H new ATOM 0 HB3 SER A 14 -5.271 -2.676 8.012 1.00 41.10 H new ATOM 0 HG SER A 14 -6.133 -5.298 7.206 1.00 10.52 H new ATOM 220 N LYS A 15 -6.860 -0.474 6.595 1.00 23.14 N ATOM 221 CA LYS A 15 -6.590 0.789 5.939 1.00 3.23 C ATOM 222 C LYS A 15 -5.215 1.289 6.348 1.00 33.14 C ATOM 223 O LYS A 15 -4.924 1.428 7.539 1.00 22.22 O ATOM 224 CB LYS A 15 -7.652 1.836 6.288 1.00 5.02 C ATOM 225 CG LYS A 15 -7.369 3.194 5.665 1.00 72.43 C ATOM 226 CD LYS A 15 -8.336 4.262 6.148 1.00 55.11 C ATOM 227 CE LYS A 15 -7.880 5.639 5.697 1.00 74.13 C ATOM 228 NZ LYS A 15 -8.780 6.724 6.167 1.00 51.02 N ATOM 0 H LYS A 15 -7.077 -0.395 7.588 1.00 23.14 H new ATOM 0 HA LYS A 15 -6.619 0.629 4.861 1.00 3.23 H new ATOM 0 HB2 LYS A 15 -8.627 1.483 5.952 1.00 5.02 H new ATOM 0 HB3 LYS A 15 -7.708 1.943 7.371 1.00 5.02 H new ATOM 0 HG2 LYS A 15 -6.349 3.495 5.904 1.00 72.43 H new ATOM 0 HG3 LYS A 15 -7.432 3.114 4.580 1.00 72.43 H new ATOM 0 HD2 LYS A 15 -9.334 4.059 5.761 1.00 55.11 H new ATOM 0 HD3 LYS A 15 -8.404 4.234 7.235 1.00 55.11 H new ATOM 0 HE2 LYS A 15 -6.872 5.823 6.068 1.00 74.13 H new ATOM 0 HE3 LYS A 15 -7.828 5.662 4.608 1.00 74.13 H new ATOM 0 HZ1 LYS A 15 -8.250 7.617 6.218 1.00 51.02 H new ATOM 0 HZ2 LYS A 15 -9.573 6.830 5.502 1.00 51.02 H new ATOM 0 HZ3 LYS A 15 -9.148 6.486 7.110 1.00 51.02 H new ATOM 242 N VAL A 16 -4.370 1.535 5.365 1.00 31.32 N ATOM 243 CA VAL A 16 -3.033 2.035 5.621 1.00 31.43 C ATOM 244 C VAL A 16 -2.835 3.387 4.964 1.00 72.33 C ATOM 245 O VAL A 16 -3.654 3.825 4.160 1.00 4.13 O ATOM 246 CB VAL A 16 -1.941 1.057 5.132 1.00 11.45 C ATOM 247 CG1 VAL A 16 -1.962 -0.217 5.960 1.00 31.11 C ATOM 248 CG2 VAL A 16 -2.117 0.739 3.653 1.00 13.20 C ATOM 0 H VAL A 16 -4.587 1.396 4.378 1.00 31.32 H new ATOM 0 HA VAL A 16 -2.934 2.135 6.702 1.00 31.43 H new ATOM 0 HB VAL A 16 -0.971 1.538 5.259 1.00 11.45 H new ATOM 0 HG11 VAL A 16 -1.187 -0.896 5.603 1.00 31.11 H new ATOM 0 HG12 VAL A 16 -1.778 0.026 7.006 1.00 31.11 H new ATOM 0 HG13 VAL A 16 -2.936 -0.697 5.865 1.00 31.11 H new ATOM 0 HG21 VAL A 16 -1.336 0.049 3.334 1.00 13.20 H new ATOM 0 HG22 VAL A 16 -3.093 0.281 3.493 1.00 13.20 H new ATOM 0 HG23 VAL A 16 -2.048 1.659 3.072 1.00 13.20 H new ATOM 258 N LYS A 17 -1.760 4.048 5.330 1.00 11.32 N ATOM 259 CA LYS A 17 -1.454 5.355 4.796 1.00 24.25 C ATOM 260 C LYS A 17 -0.002 5.417 4.383 1.00 3.24 C ATOM 261 O LYS A 17 0.871 4.866 5.056 1.00 73.42 O ATOM 262 CB LYS A 17 -1.765 6.424 5.837 1.00 63.13 C ATOM 263 CG LYS A 17 -1.528 7.851 5.377 1.00 61.12 C ATOM 264 CD LYS A 17 -2.094 8.844 6.378 1.00 73.04 C ATOM 265 CE LYS A 17 -1.899 10.276 5.918 1.00 34.51 C ATOM 266 NZ LYS A 17 -2.580 11.247 6.813 1.00 70.12 N ATOM 0 H LYS A 17 -1.077 3.697 6.002 1.00 11.32 H new ATOM 0 HA LYS A 17 -2.070 5.538 3.916 1.00 24.25 H new ATOM 0 HB2 LYS A 17 -2.807 6.323 6.140 1.00 63.13 H new ATOM 0 HB3 LYS A 17 -1.157 6.237 6.722 1.00 63.13 H new ATOM 0 HG2 LYS A 17 -0.459 8.024 5.251 1.00 61.12 H new ATOM 0 HG3 LYS A 17 -1.992 8.005 4.403 1.00 61.12 H new ATOM 0 HD2 LYS A 17 -3.157 8.650 6.523 1.00 73.04 H new ATOM 0 HD3 LYS A 17 -1.610 8.703 7.344 1.00 73.04 H new ATOM 0 HE2 LYS A 17 -0.833 10.503 5.881 1.00 34.51 H new ATOM 0 HE3 LYS A 17 -2.284 10.386 4.904 1.00 34.51 H new ATOM 0 HZ1 LYS A 17 -2.421 12.213 6.462 1.00 70.12 H new ATOM 0 HZ2 LYS A 17 -3.601 11.048 6.829 1.00 70.12 H new ATOM 0 HZ3 LYS A 17 -2.196 11.161 7.775 1.00 70.12 H new ATOM 280 N VAL A 18 0.240 6.079 3.277 1.00 61.13 N ATOM 281 CA VAL A 18 1.577 6.175 2.724 1.00 64.23 C ATOM 282 C VAL A 18 2.400 7.178 3.513 1.00 51.11 C ATOM 283 O VAL A 18 2.298 8.390 3.296 1.00 70.31 O ATOM 284 CB VAL A 18 1.556 6.584 1.236 1.00 73.31 C ATOM 285 CG1 VAL A 18 2.962 6.579 0.657 1.00 61.44 C ATOM 286 CG2 VAL A 18 0.645 5.666 0.436 1.00 24.43 C ATOM 0 H VAL A 18 -0.476 6.564 2.736 1.00 61.13 H new ATOM 0 HA VAL A 18 2.030 5.186 2.797 1.00 64.23 H new ATOM 0 HB VAL A 18 1.162 7.598 1.169 1.00 73.31 H new ATOM 0 HG11 VAL A 18 2.924 6.870 -0.393 1.00 61.44 H new ATOM 0 HG12 VAL A 18 3.585 7.285 1.207 1.00 61.44 H new ATOM 0 HG13 VAL A 18 3.387 5.579 0.741 1.00 61.44 H new ATOM 0 HG21 VAL A 18 0.646 5.974 -0.610 1.00 24.43 H new ATOM 0 HG22 VAL A 18 1.004 4.640 0.513 1.00 24.43 H new ATOM 0 HG23 VAL A 18 -0.369 5.726 0.831 1.00 24.43 H new ATOM 296 N ILE A 19 3.168 6.665 4.467 1.00 13.50 N ATOM 297 CA ILE A 19 4.100 7.487 5.229 1.00 43.43 C ATOM 298 C ILE A 19 5.068 8.170 4.283 1.00 62.34 C ATOM 299 O ILE A 19 5.273 9.383 4.348 1.00 1.13 O ATOM 300 CB ILE A 19 4.919 6.653 6.236 1.00 50.21 C ATOM 301 CG1 ILE A 19 4.006 5.759 7.076 1.00 42.05 C ATOM 302 CG2 ILE A 19 5.737 7.570 7.135 1.00 30.44 C ATOM 303 CD1 ILE A 19 4.760 4.871 8.046 1.00 42.44 C ATOM 0 H ILE A 19 3.163 5.680 4.732 1.00 13.50 H new ATOM 0 HA ILE A 19 3.508 8.217 5.781 1.00 43.43 H new ATOM 0 HB ILE A 19 5.598 6.011 5.676 1.00 50.21 H new ATOM 0 HG12 ILE A 19 3.310 6.385 7.634 1.00 42.05 H new ATOM 0 HG13 ILE A 19 3.410 5.134 6.411 1.00 42.05 H new ATOM 0 HG21 ILE A 19 6.311 6.970 7.841 1.00 30.44 H new ATOM 0 HG22 ILE A 19 6.419 8.163 6.526 1.00 30.44 H new ATOM 0 HG23 ILE A 19 5.068 8.234 7.683 1.00 30.44 H new ATOM 0 HD11 ILE A 19 4.052 4.264 8.609 1.00 42.44 H new ATOM 0 HD12 ILE A 19 5.436 4.220 7.493 1.00 42.44 H new ATOM 0 HD13 ILE A 19 5.335 5.490 8.735 1.00 42.44 H new ATOM 315 N GLY A 20 5.653 7.380 3.399 1.00 42.24 N ATOM 316 CA GLY A 20 6.592 7.912 2.448 1.00 33.32 C ATOM 317 C GLY A 20 7.025 6.890 1.426 1.00 62.23 C ATOM 318 O GLY A 20 6.810 5.688 1.596 1.00 0.13 O ATOM 0 H GLY A 20 5.491 6.376 3.326 1.00 42.24 H new ATOM 0 HA2 GLY A 20 6.143 8.764 1.937 1.00 33.32 H new ATOM 0 HA3 GLY A 20 7.469 8.284 2.978 1.00 33.32 H new ATOM 322 N ILE A 21 7.621 7.385 0.360 1.00 53.50 N ATOM 323 CA ILE A 21 8.173 6.544 -0.683 1.00 54.40 C ATOM 324 C ILE A 21 9.589 6.135 -0.285 1.00 22.41 C ATOM 325 O ILE A 21 10.200 6.778 0.567 1.00 34.11 O ATOM 326 CB ILE A 21 8.190 7.285 -2.043 1.00 34.03 C ATOM 327 CG1 ILE A 21 6.810 7.892 -2.325 1.00 61.53 C ATOM 328 CG2 ILE A 21 8.587 6.340 -3.172 1.00 53.42 C ATOM 329 CD1 ILE A 21 6.743 8.688 -3.613 1.00 74.52 C ATOM 0 H ILE A 21 7.736 8.384 0.192 1.00 53.50 H new ATOM 0 HA ILE A 21 7.548 5.658 -0.798 1.00 54.40 H new ATOM 0 HB ILE A 21 8.930 8.084 -1.990 1.00 34.03 H new ATOM 0 HG12 ILE A 21 6.072 7.091 -2.365 1.00 61.53 H new ATOM 0 HG13 ILE A 21 6.532 8.540 -1.494 1.00 61.53 H new ATOM 0 HG21 ILE A 21 8.592 6.884 -4.117 1.00 53.42 H new ATOM 0 HG22 ILE A 21 9.582 5.940 -2.979 1.00 53.42 H new ATOM 0 HG23 ILE A 21 7.871 5.520 -3.229 1.00 53.42 H new ATOM 0 HD11 ILE A 21 5.736 9.085 -3.743 1.00 74.52 H new ATOM 0 HD12 ILE A 21 7.455 9.512 -3.569 1.00 74.52 H new ATOM 0 HD13 ILE A 21 6.989 8.040 -4.454 1.00 74.52 H new ATOM 341 N VAL A 22 10.088 5.058 -0.867 1.00 60.50 N ATOM 342 CA VAL A 22 11.435 4.583 -0.582 1.00 2.10 C ATOM 343 C VAL A 22 12.383 5.023 -1.698 1.00 0.44 C ATOM 344 O VAL A 22 12.489 4.362 -2.733 1.00 44.53 O ATOM 345 CB VAL A 22 11.484 3.048 -0.421 1.00 52.24 C ATOM 346 CG1 VAL A 22 12.894 2.580 -0.091 1.00 61.42 C ATOM 347 CG2 VAL A 22 10.510 2.594 0.653 1.00 34.43 C ATOM 0 H VAL A 22 9.578 4.491 -1.545 1.00 60.50 H new ATOM 0 HA VAL A 22 11.750 5.021 0.365 1.00 2.10 H new ATOM 0 HB VAL A 22 11.190 2.599 -1.370 1.00 52.24 H new ATOM 0 HG11 VAL A 22 12.901 1.495 0.017 1.00 61.42 H new ATOM 0 HG12 VAL A 22 13.571 2.869 -0.895 1.00 61.42 H new ATOM 0 HG13 VAL A 22 13.221 3.040 0.841 1.00 61.42 H new ATOM 0 HG21 VAL A 22 10.558 1.510 0.753 1.00 34.43 H new ATOM 0 HG22 VAL A 22 10.774 3.058 1.603 1.00 34.43 H new ATOM 0 HG23 VAL A 22 9.498 2.888 0.374 1.00 34.43 H new ATOM 357 N PRO A 23 13.018 6.205 -1.518 1.00 61.30 N ATOM 358 CA PRO A 23 13.851 6.863 -2.541 1.00 34.42 C ATOM 359 C PRO A 23 14.892 5.947 -3.180 1.00 33.10 C ATOM 360 O PRO A 23 15.153 4.840 -2.695 1.00 1.45 O ATOM 361 CB PRO A 23 14.546 7.980 -1.763 1.00 70.41 C ATOM 362 CG PRO A 23 13.611 8.293 -0.654 1.00 43.22 C ATOM 363 CD PRO A 23 12.994 6.983 -0.265 1.00 14.11 C ATOM 0 HA PRO A 23 13.241 7.200 -3.379 1.00 34.42 H new ATOM 0 HB2 PRO A 23 15.516 7.657 -1.386 1.00 70.41 H new ATOM 0 HB3 PRO A 23 14.723 8.852 -2.392 1.00 70.41 H new ATOM 0 HG2 PRO A 23 14.138 8.743 0.187 1.00 43.22 H new ATOM 0 HG3 PRO A 23 12.850 9.006 -0.972 1.00 43.22 H new ATOM 0 HD2 PRO A 23 13.562 6.490 0.524 1.00 14.11 H new ATOM 0 HD3 PRO A 23 11.978 7.113 0.107 1.00 14.11 H new ATOM 371 N GLU A 24 15.499 6.450 -4.260 1.00 73.43 N ATOM 372 CA GLU A 24 16.415 5.673 -5.095 1.00 34.04 C ATOM 373 C GLU A 24 15.640 4.556 -5.790 1.00 11.23 C ATOM 374 O GLU A 24 16.204 3.570 -6.275 1.00 40.13 O ATOM 375 CB GLU A 24 17.567 5.115 -4.255 1.00 54.25 C ATOM 376 CG GLU A 24 18.823 4.821 -5.054 1.00 3.34 C ATOM 377 CD GLU A 24 20.004 4.500 -4.168 1.00 53.11 C ATOM 378 OE1 GLU A 24 20.492 5.417 -3.472 1.00 23.43 O ATOM 379 OE2 GLU A 24 20.457 3.340 -4.176 1.00 23.34 O ATOM 0 H GLU A 24 15.367 7.410 -4.579 1.00 73.43 H new ATOM 0 HA GLU A 24 16.852 6.320 -5.856 1.00 34.04 H new ATOM 0 HB2 GLU A 24 17.808 5.828 -3.467 1.00 54.25 H new ATOM 0 HB3 GLU A 24 17.237 4.199 -3.766 1.00 54.25 H new ATOM 0 HG2 GLU A 24 18.636 3.982 -5.725 1.00 3.34 H new ATOM 0 HG3 GLU A 24 19.063 5.681 -5.679 1.00 3.34 H new ATOM 386 N SER A 25 14.331 4.752 -5.852 1.00 25.24 N ATOM 387 CA SER A 25 13.424 3.814 -6.478 1.00 10.00 C ATOM 388 C SER A 25 13.368 4.057 -7.976 1.00 25.32 C ATOM 389 O SER A 25 13.578 5.178 -8.442 1.00 2.01 O ATOM 390 CB SER A 25 12.025 3.966 -5.878 1.00 24.12 C ATOM 391 OG SER A 25 11.096 3.103 -6.500 1.00 61.14 O ATOM 0 H SER A 25 13.869 5.575 -5.465 1.00 25.24 H new ATOM 0 HA SER A 25 13.786 2.802 -6.298 1.00 10.00 H new ATOM 0 HB2 SER A 25 12.062 3.753 -4.810 1.00 24.12 H new ATOM 0 HB3 SER A 25 11.692 4.998 -5.986 1.00 24.12 H new ATOM 0 HG SER A 25 11.305 2.174 -6.266 1.00 61.14 H new ATOM 397 N LYS A 26 13.081 3.008 -8.720 1.00 44.22 N ATOM 398 CA LYS A 26 12.948 3.112 -10.161 1.00 63.21 C ATOM 399 C LYS A 26 11.476 3.224 -10.519 1.00 14.01 C ATOM 400 O LYS A 26 11.111 3.762 -11.566 1.00 65.20 O ATOM 401 CB LYS A 26 13.590 1.905 -10.864 1.00 12.40 C ATOM 402 CG LYS A 26 15.111 1.841 -10.733 1.00 23.42 C ATOM 403 CD LYS A 26 15.549 1.569 -9.303 1.00 61.55 C ATOM 404 CE LYS A 26 17.057 1.653 -9.143 1.00 51.43 C ATOM 405 NZ LYS A 26 17.469 1.434 -7.731 1.00 65.05 N ATOM 0 H LYS A 26 12.935 2.069 -8.349 1.00 44.22 H new ATOM 0 HA LYS A 26 13.472 4.004 -10.503 1.00 63.21 H new ATOM 0 HB2 LYS A 26 13.162 0.990 -10.454 1.00 12.40 H new ATOM 0 HB3 LYS A 26 13.328 1.933 -11.922 1.00 12.40 H new ATOM 0 HG2 LYS A 26 15.498 1.059 -11.386 1.00 23.42 H new ATOM 0 HG3 LYS A 26 15.544 2.782 -11.072 1.00 23.42 H new ATOM 0 HD2 LYS A 26 15.073 2.287 -8.635 1.00 61.55 H new ATOM 0 HD3 LYS A 26 15.207 0.579 -9.001 1.00 61.55 H new ATOM 0 HE2 LYS A 26 17.534 0.909 -9.782 1.00 51.43 H new ATOM 0 HE3 LYS A 26 17.405 2.630 -9.477 1.00 51.43 H new ATOM 0 HZ1 LYS A 26 18.506 1.464 -7.663 1.00 65.05 H new ATOM 0 HZ2 LYS A 26 17.061 2.179 -7.131 1.00 65.05 H new ATOM 0 HZ3 LYS A 26 17.128 0.505 -7.410 1.00 65.05 H new ATOM 419 N VAL A 27 10.629 2.734 -9.621 1.00 0.44 N ATOM 420 CA VAL A 27 9.190 2.819 -9.806 1.00 62.42 C ATOM 421 C VAL A 27 8.610 4.012 -9.051 1.00 11.53 C ATOM 422 O VAL A 27 7.436 4.326 -9.202 1.00 22.44 O ATOM 423 CB VAL A 27 8.471 1.525 -9.361 1.00 42.23 C ATOM 424 CG1 VAL A 27 8.892 0.350 -10.231 1.00 41.40 C ATOM 425 CG2 VAL A 27 8.742 1.228 -7.891 1.00 21.43 C ATOM 0 H VAL A 27 10.917 2.274 -8.758 1.00 0.44 H new ATOM 0 HA VAL A 27 9.020 2.953 -10.874 1.00 62.42 H new ATOM 0 HB VAL A 27 7.399 1.677 -9.483 1.00 42.23 H new ATOM 0 HG11 VAL A 27 8.375 -0.551 -9.901 1.00 41.40 H new ATOM 0 HG12 VAL A 27 8.635 0.556 -11.270 1.00 41.40 H new ATOM 0 HG13 VAL A 27 9.969 0.202 -10.146 1.00 41.40 H new ATOM 0 HG21 VAL A 27 8.225 0.313 -7.603 1.00 21.43 H new ATOM 0 HG22 VAL A 27 9.814 1.103 -7.737 1.00 21.43 H new ATOM 0 HG23 VAL A 27 8.382 2.056 -7.280 1.00 21.43 H new ATOM 435 N ARG A 28 9.441 4.668 -8.238 1.00 12.24 N ATOM 436 CA ARG A 28 9.045 5.882 -7.515 1.00 30.01 C ATOM 437 C ARG A 28 8.324 6.885 -8.424 1.00 63.20 C ATOM 438 O ARG A 28 7.254 7.389 -8.080 1.00 70.23 O ATOM 439 CB ARG A 28 10.291 6.521 -6.880 1.00 73.33 C ATOM 440 CG ARG A 28 10.049 7.845 -6.169 1.00 11.32 C ATOM 441 CD ARG A 28 10.428 9.027 -7.050 1.00 54.42 C ATOM 442 NE ARG A 28 11.813 8.934 -7.523 1.00 44.35 N ATOM 443 CZ ARG A 28 12.295 9.613 -8.564 1.00 62.41 C ATOM 444 NH1 ARG A 28 11.533 10.488 -9.206 1.00 75.21 N ATOM 445 NH2 ARG A 28 13.550 9.428 -8.949 1.00 71.34 N ATOM 0 H ARG A 28 10.402 4.376 -8.062 1.00 12.24 H new ATOM 0 HA ARG A 28 8.337 5.601 -6.735 1.00 30.01 H new ATOM 0 HB2 ARG A 28 10.717 5.816 -6.166 1.00 73.33 H new ATOM 0 HB3 ARG A 28 11.037 6.676 -7.659 1.00 73.33 H new ATOM 0 HG2 ARG A 28 8.999 7.922 -5.887 1.00 11.32 H new ATOM 0 HG3 ARG A 28 10.630 7.876 -5.247 1.00 11.32 H new ATOM 0 HD2 ARG A 28 9.754 9.073 -7.906 1.00 54.42 H new ATOM 0 HD3 ARG A 28 10.297 9.953 -6.491 1.00 54.42 H new ATOM 0 HE ARG A 28 12.448 8.310 -7.024 1.00 44.35 H new ATOM 0 HH11 ARG A 28 10.571 10.645 -8.904 1.00 75.21 H new ATOM 0 HH12 ARG A 28 11.908 11.004 -10.002 1.00 75.21 H new ATOM 0 HH21 ARG A 28 14.145 8.767 -8.449 1.00 71.34 H new ATOM 0 HH22 ARG A 28 13.921 9.946 -9.745 1.00 71.34 H new ATOM 459 N ARG A 29 8.898 7.146 -9.592 1.00 4.10 N ATOM 460 CA ARG A 29 8.327 8.121 -10.519 1.00 13.24 C ATOM 461 C ARG A 29 7.029 7.587 -11.123 1.00 42.14 C ATOM 462 O ARG A 29 6.127 8.353 -11.465 1.00 61.23 O ATOM 463 CB ARG A 29 9.336 8.454 -11.621 1.00 34.43 C ATOM 464 CG ARG A 29 9.008 9.731 -12.377 1.00 61.35 C ATOM 465 CD ARG A 29 10.090 10.087 -13.386 1.00 53.12 C ATOM 466 NE ARG A 29 9.888 11.424 -13.945 1.00 2.11 N ATOM 467 CZ ARG A 29 10.683 11.994 -14.849 1.00 21.43 C ATOM 468 NH1 ARG A 29 11.717 11.329 -15.353 1.00 32.33 N ATOM 469 NH2 ARG A 29 10.433 13.230 -15.262 1.00 64.33 N ATOM 0 H ARG A 29 9.754 6.700 -9.921 1.00 4.10 H new ATOM 0 HA ARG A 29 8.098 9.034 -9.969 1.00 13.24 H new ATOM 0 HB2 ARG A 29 10.328 8.548 -11.179 1.00 34.43 H new ATOM 0 HB3 ARG A 29 9.379 7.624 -12.326 1.00 34.43 H new ATOM 0 HG2 ARG A 29 8.055 9.613 -12.893 1.00 61.35 H new ATOM 0 HG3 ARG A 29 8.888 10.551 -11.669 1.00 61.35 H new ATOM 0 HD2 ARG A 29 11.067 10.037 -12.905 1.00 53.12 H new ATOM 0 HD3 ARG A 29 10.093 9.352 -14.191 1.00 53.12 H new ATOM 0 HE ARG A 29 9.082 11.957 -13.620 1.00 2.11 H new ATOM 0 HH11 ARG A 29 11.907 10.374 -15.048 1.00 32.33 H new ATOM 0 HH12 ARG A 29 12.321 11.773 -16.045 1.00 32.33 H new ATOM 0 HH21 ARG A 29 9.634 13.741 -14.887 1.00 64.33 H new ATOM 0 HH22 ARG A 29 11.040 13.669 -15.954 1.00 64.33 H new ATOM 483 N LYS A 30 6.940 6.265 -11.222 1.00 43.34 N ATOM 484 CA LYS A 30 5.759 5.595 -11.754 1.00 50.40 C ATOM 485 C LYS A 30 4.614 5.654 -10.744 1.00 12.51 C ATOM 486 O LYS A 30 3.485 6.000 -11.082 1.00 25.24 O ATOM 487 CB LYS A 30 6.099 4.136 -12.065 1.00 41.12 C ATOM 488 CG LYS A 30 4.953 3.342 -12.669 1.00 40.35 C ATOM 489 CD LYS A 30 5.299 1.865 -12.758 1.00 22.21 C ATOM 490 CE LYS A 30 4.154 1.053 -13.335 1.00 43.23 C ATOM 491 NZ LYS A 30 4.427 -0.406 -13.267 1.00 20.21 N ATOM 0 H LYS A 30 7.684 5.628 -10.936 1.00 43.34 H new ATOM 0 HA LYS A 30 5.445 6.101 -12.667 1.00 50.40 H new ATOM 0 HB2 LYS A 30 6.945 4.111 -12.752 1.00 41.12 H new ATOM 0 HB3 LYS A 30 6.420 3.646 -11.146 1.00 41.12 H new ATOM 0 HG2 LYS A 30 4.056 3.473 -12.063 1.00 40.35 H new ATOM 0 HG3 LYS A 30 4.725 3.726 -13.663 1.00 40.35 H new ATOM 0 HD2 LYS A 30 6.186 1.736 -13.379 1.00 22.21 H new ATOM 0 HD3 LYS A 30 5.547 1.489 -11.765 1.00 22.21 H new ATOM 0 HE2 LYS A 30 3.237 1.278 -12.790 1.00 43.23 H new ATOM 0 HE3 LYS A 30 3.987 1.344 -14.372 1.00 43.23 H new ATOM 0 HZ1 LYS A 30 3.762 -0.913 -13.885 1.00 20.21 H new ATOM 0 HZ2 LYS A 30 5.401 -0.592 -13.581 1.00 20.21 H new ATOM 0 HZ3 LYS A 30 4.310 -0.736 -12.288 1.00 20.21 H new ATOM 505 N ILE A 31 4.928 5.308 -9.504 1.00 32.14 N ATOM 506 CA ILE A 31 3.951 5.298 -8.419 1.00 0.53 C ATOM 507 C ILE A 31 3.360 6.690 -8.195 1.00 53.10 C ATOM 508 O ILE A 31 2.149 6.838 -8.011 1.00 51.35 O ATOM 509 CB ILE A 31 4.589 4.785 -7.109 1.00 11.32 C ATOM 510 CG1 ILE A 31 5.099 3.353 -7.302 1.00 12.44 C ATOM 511 CG2 ILE A 31 3.595 4.846 -5.958 1.00 44.14 C ATOM 512 CD1 ILE A 31 5.869 2.809 -6.117 1.00 11.02 C ATOM 0 H ILE A 31 5.866 5.026 -9.219 1.00 32.14 H new ATOM 0 HA ILE A 31 3.147 4.622 -8.710 1.00 0.53 H new ATOM 0 HB ILE A 31 5.431 5.431 -6.859 1.00 11.32 H new ATOM 0 HG12 ILE A 31 4.250 2.699 -7.501 1.00 12.44 H new ATOM 0 HG13 ILE A 31 5.739 3.322 -8.184 1.00 12.44 H new ATOM 0 HG21 ILE A 31 4.069 4.479 -5.048 1.00 44.14 H new ATOM 0 HG22 ILE A 31 3.273 5.877 -5.810 1.00 44.14 H new ATOM 0 HG23 ILE A 31 2.730 4.226 -6.191 1.00 44.14 H new ATOM 0 HD11 ILE A 31 6.196 1.792 -6.332 1.00 11.02 H new ATOM 0 HD12 ILE A 31 6.739 3.438 -5.929 1.00 11.02 H new ATOM 0 HD13 ILE A 31 5.227 2.806 -5.236 1.00 11.02 H new ATOM 524 N MET A 32 4.211 7.710 -8.238 1.00 60.33 N ATOM 525 CA MET A 32 3.756 9.085 -8.079 1.00 3.53 C ATOM 526 C MET A 32 2.865 9.494 -9.249 1.00 34.01 C ATOM 527 O MET A 32 1.958 10.313 -9.098 1.00 32.24 O ATOM 528 CB MET A 32 4.944 10.039 -7.966 1.00 11.25 C ATOM 529 CG MET A 32 4.772 11.088 -6.883 1.00 21.22 C ATOM 530 SD MET A 32 6.191 12.193 -6.752 1.00 52.10 S ATOM 531 CE MET A 32 5.672 13.247 -5.401 1.00 42.14 C ATOM 0 H MET A 32 5.216 7.610 -8.381 1.00 60.33 H new ATOM 0 HA MET A 32 3.175 9.144 -7.159 1.00 3.53 H new ATOM 0 HB2 MET A 32 5.846 9.462 -7.763 1.00 11.25 H new ATOM 0 HB3 MET A 32 5.093 10.537 -8.924 1.00 11.25 H new ATOM 0 HG2 MET A 32 3.877 11.675 -7.091 1.00 21.22 H new ATOM 0 HG3 MET A 32 4.613 10.593 -5.925 1.00 21.22 H new ATOM 0 HE1 MET A 32 6.446 13.987 -5.198 1.00 42.14 H new ATOM 0 HE2 MET A 32 4.746 13.755 -5.671 1.00 42.14 H new ATOM 0 HE3 MET A 32 5.507 12.641 -4.510 1.00 42.14 H new ATOM 541 N ASP A 33 3.127 8.904 -10.413 1.00 31.55 N ATOM 542 CA ASP A 33 2.324 9.156 -11.606 1.00 13.12 C ATOM 543 C ASP A 33 0.945 8.521 -11.455 1.00 54.12 C ATOM 544 O ASP A 33 -0.053 9.047 -11.952 1.00 2.00 O ATOM 545 CB ASP A 33 3.022 8.600 -12.852 1.00 42.25 C ATOM 546 CG ASP A 33 2.240 8.861 -14.123 1.00 23.13 C ATOM 547 OD1 ASP A 33 2.325 9.986 -14.656 1.00 1.11 O ATOM 548 OD2 ASP A 33 1.550 7.939 -14.605 1.00 42.54 O ATOM 0 H ASP A 33 3.893 8.245 -10.555 1.00 31.55 H new ATOM 0 HA ASP A 33 2.209 10.234 -11.723 1.00 13.12 H new ATOM 0 HB2 ASP A 33 4.012 9.048 -12.940 1.00 42.25 H new ATOM 0 HB3 ASP A 33 3.168 7.526 -12.734 1.00 42.25 H new ATOM 553 N MET A 34 0.898 7.391 -10.752 1.00 61.25 N ATOM 554 CA MET A 34 -0.361 6.706 -10.459 1.00 72.11 C ATOM 555 C MET A 34 -1.257 7.586 -9.597 1.00 53.02 C ATOM 556 O MET A 34 -2.484 7.495 -9.657 1.00 50.22 O ATOM 557 CB MET A 34 -0.108 5.386 -9.727 1.00 13.21 C ATOM 558 CG MET A 34 0.619 4.343 -10.553 1.00 62.21 C ATOM 559 SD MET A 34 0.939 2.840 -9.614 1.00 42.04 S ATOM 560 CE MET A 34 1.725 1.827 -10.862 1.00 61.03 C ATOM 0 H MET A 34 1.723 6.927 -10.372 1.00 61.25 H new ATOM 0 HA MET A 34 -0.854 6.499 -11.409 1.00 72.11 H new ATOM 0 HB2 MET A 34 0.472 5.589 -8.827 1.00 13.21 H new ATOM 0 HB3 MET A 34 -1.064 4.974 -9.404 1.00 13.21 H new ATOM 0 HG2 MET A 34 0.025 4.100 -11.434 1.00 62.21 H new ATOM 0 HG3 MET A 34 1.563 4.756 -10.909 1.00 62.21 H new ATOM 0 HE1 MET A 34 1.345 0.808 -10.795 1.00 61.03 H new ATOM 0 HE2 MET A 34 1.506 2.232 -11.850 1.00 61.03 H new ATOM 0 HE3 MET A 34 2.803 1.824 -10.702 1.00 61.03 H new ATOM 570 N GLY A 35 -0.630 8.438 -8.794 1.00 64.44 N ATOM 571 CA GLY A 35 -1.370 9.331 -7.931 1.00 42.15 C ATOM 572 C GLY A 35 -1.078 9.090 -6.468 1.00 25.01 C ATOM 573 O GLY A 35 -1.694 9.704 -5.596 1.00 74.44 O ATOM 0 H GLY A 35 0.384 8.524 -8.727 1.00 64.44 H new ATOM 0 HA2 GLY A 35 -1.124 10.363 -8.183 1.00 42.15 H new ATOM 0 HA3 GLY A 35 -2.438 9.205 -8.111 1.00 42.15 H new ATOM 577 N ILE A 36 -0.136 8.198 -6.192 1.00 14.51 N ATOM 578 CA ILE A 36 0.228 7.878 -4.822 1.00 35.22 C ATOM 579 C ILE A 36 1.351 8.786 -4.345 1.00 11.51 C ATOM 580 O ILE A 36 2.394 8.899 -4.992 1.00 2.23 O ATOM 581 CB ILE A 36 0.667 6.410 -4.676 1.00 72.15 C ATOM 582 CG1 ILE A 36 -0.377 5.488 -5.306 1.00 62.35 C ATOM 583 CG2 ILE A 36 0.872 6.059 -3.208 1.00 22.11 C ATOM 584 CD1 ILE A 36 0.046 4.035 -5.375 1.00 54.04 C ATOM 0 H ILE A 36 0.389 7.684 -6.900 1.00 14.51 H new ATOM 0 HA ILE A 36 -0.659 8.035 -4.209 1.00 35.22 H new ATOM 0 HB ILE A 36 1.615 6.273 -5.196 1.00 72.15 H new ATOM 0 HG12 ILE A 36 -1.302 5.560 -4.734 1.00 62.35 H new ATOM 0 HG13 ILE A 36 -0.597 5.840 -6.314 1.00 62.35 H new ATOM 0 HG21 ILE A 36 1.182 5.018 -3.123 1.00 22.11 H new ATOM 0 HG22 ILE A 36 1.643 6.703 -2.784 1.00 22.11 H new ATOM 0 HG23 ILE A 36 -0.062 6.205 -2.665 1.00 22.11 H new ATOM 0 HD11 ILE A 36 -0.748 3.446 -5.834 1.00 54.04 H new ATOM 0 HD12 ILE A 36 0.954 3.948 -5.972 1.00 54.04 H new ATOM 0 HD13 ILE A 36 0.237 3.664 -4.368 1.00 54.04 H new ATOM 596 N VAL A 37 1.120 9.430 -3.218 1.00 34.43 N ATOM 597 CA VAL A 37 2.074 10.370 -2.643 1.00 15.54 C ATOM 598 C VAL A 37 2.106 10.228 -1.124 1.00 65.32 C ATOM 599 O VAL A 37 1.415 9.377 -0.560 1.00 42.01 O ATOM 600 CB VAL A 37 1.725 11.834 -3.009 1.00 41.44 C ATOM 601 CG1 VAL A 37 1.855 12.071 -4.507 1.00 21.24 C ATOM 602 CG2 VAL A 37 0.324 12.196 -2.529 1.00 10.31 C ATOM 0 H VAL A 37 0.266 9.319 -2.671 1.00 34.43 H new ATOM 0 HA VAL A 37 3.053 10.134 -3.059 1.00 15.54 H new ATOM 0 HB VAL A 37 2.439 12.482 -2.501 1.00 41.44 H new ATOM 0 HG11 VAL A 37 1.604 13.107 -4.735 1.00 21.24 H new ATOM 0 HG12 VAL A 37 2.879 11.869 -4.820 1.00 21.24 H new ATOM 0 HG13 VAL A 37 1.175 11.407 -5.041 1.00 21.24 H new ATOM 0 HG21 VAL A 37 0.103 13.229 -2.798 1.00 10.31 H new ATOM 0 HG22 VAL A 37 -0.404 11.535 -2.999 1.00 10.31 H new ATOM 0 HG23 VAL A 37 0.270 12.084 -1.446 1.00 10.31 H new ATOM 612 N ARG A 38 2.900 11.059 -0.460 1.00 43.53 N ATOM 613 CA ARG A 38 2.958 11.045 0.996 1.00 42.24 C ATOM 614 C ARG A 38 1.663 11.579 1.580 1.00 53.14 C ATOM 615 O ARG A 38 1.324 12.750 1.403 1.00 20.24 O ATOM 616 CB ARG A 38 4.141 11.864 1.514 1.00 72.42 C ATOM 617 CG ARG A 38 5.434 11.073 1.606 1.00 50.34 C ATOM 618 CD ARG A 38 6.593 11.939 2.074 1.00 34.41 C ATOM 619 NE ARG A 38 7.830 11.170 2.217 1.00 53.23 N ATOM 620 CZ ARG A 38 8.935 11.394 1.506 1.00 12.50 C ATOM 621 NH1 ARG A 38 8.980 12.390 0.632 1.00 13.14 N ATOM 622 NH2 ARG A 38 10.003 10.629 1.674 1.00 63.43 N ATOM 0 H ARG A 38 3.509 11.747 -0.903 1.00 43.53 H new ATOM 0 HA ARG A 38 3.096 10.011 1.314 1.00 42.24 H new ATOM 0 HB2 ARG A 38 4.295 12.720 0.857 1.00 72.42 H new ATOM 0 HB3 ARG A 38 3.895 12.258 2.500 1.00 72.42 H new ATOM 0 HG2 ARG A 38 5.302 10.239 2.295 1.00 50.34 H new ATOM 0 HG3 ARG A 38 5.669 10.646 0.631 1.00 50.34 H new ATOM 0 HD2 ARG A 38 6.750 12.749 1.362 1.00 34.41 H new ATOM 0 HD3 ARG A 38 6.339 12.398 3.029 1.00 34.41 H new ATOM 0 HE ARG A 38 7.848 10.416 2.903 1.00 53.23 H new ATOM 0 HH11 ARG A 38 8.166 12.990 0.501 1.00 13.14 H new ATOM 0 HH12 ARG A 38 9.829 12.556 0.091 1.00 13.14 H new ATOM 0 HH21 ARG A 38 9.982 9.865 2.349 1.00 63.43 H new ATOM 0 HH22 ARG A 38 10.847 10.804 1.128 1.00 63.43 H new ATOM 636 N GLY A 39 0.939 10.715 2.268 1.00 3.34 N ATOM 637 CA GLY A 39 -0.311 11.118 2.866 1.00 53.31 C ATOM 638 C GLY A 39 -1.506 10.419 2.255 1.00 63.14 C ATOM 639 O GLY A 39 -2.620 10.540 2.764 1.00 12.22 O ATOM 0 H GLY A 39 1.195 9.740 2.423 1.00 3.34 H new ATOM 0 HA2 GLY A 39 -0.281 10.909 3.935 1.00 53.31 H new ATOM 0 HA3 GLY A 39 -0.431 12.196 2.755 1.00 53.31 H new ATOM 643 N THR A 40 -1.288 9.689 1.166 1.00 70.12 N ATOM 644 CA THR A 40 -2.374 8.963 0.522 1.00 53.31 C ATOM 645 C THR A 40 -2.816 7.790 1.388 1.00 42.11 C ATOM 646 O THR A 40 -1.999 7.138 2.039 1.00 15.15 O ATOM 647 CB THR A 40 -1.967 8.439 -0.863 1.00 72.42 C ATOM 648 OG1 THR A 40 -1.276 9.465 -1.586 1.00 63.12 O ATOM 649 CG2 THR A 40 -3.188 8.003 -1.661 1.00 50.04 C ATOM 0 H THR A 40 -0.379 9.585 0.716 1.00 70.12 H new ATOM 0 HA THR A 40 -3.199 9.664 0.398 1.00 53.31 H new ATOM 0 HB THR A 40 -1.314 7.578 -0.721 1.00 72.42 H new ATOM 0 HG1 THR A 40 -1.557 9.449 -2.525 1.00 63.12 H new ATOM 0 HG21 THR A 40 -2.872 7.636 -2.638 1.00 50.04 H new ATOM 0 HG22 THR A 40 -3.708 7.209 -1.126 1.00 50.04 H new ATOM 0 HG23 THR A 40 -3.859 8.852 -1.792 1.00 50.04 H new ATOM 657 N GLU A 41 -4.110 7.544 1.396 1.00 4.30 N ATOM 658 CA GLU A 41 -4.695 6.490 2.195 1.00 32.10 C ATOM 659 C GLU A 41 -5.114 5.328 1.307 1.00 43.31 C ATOM 660 O GLU A 41 -5.673 5.529 0.226 1.00 23.01 O ATOM 661 CB GLU A 41 -5.885 7.052 2.959 1.00 30.10 C ATOM 662 CG GLU A 41 -5.512 8.221 3.856 1.00 24.33 C ATOM 663 CD GLU A 41 -6.694 8.795 4.601 1.00 72.13 C ATOM 664 OE1 GLU A 41 -7.515 9.490 3.980 1.00 44.20 O ATOM 665 OE2 GLU A 41 -6.804 8.557 5.822 1.00 32.05 O ATOM 0 H GLU A 41 -4.787 8.072 0.846 1.00 4.30 H new ATOM 0 HA GLU A 41 -3.961 6.114 2.908 1.00 32.10 H new ATOM 0 HB2 GLU A 41 -6.647 7.374 2.249 1.00 30.10 H new ATOM 0 HB3 GLU A 41 -6.327 6.262 3.565 1.00 30.10 H new ATOM 0 HG2 GLU A 41 -4.760 7.895 4.575 1.00 24.33 H new ATOM 0 HG3 GLU A 41 -5.056 9.005 3.251 1.00 24.33 H new ATOM 672 N ILE A 42 -4.834 4.121 1.771 1.00 3.23 N ATOM 673 CA ILE A 42 -5.020 2.925 0.970 1.00 11.25 C ATOM 674 C ILE A 42 -5.819 1.868 1.729 1.00 63.45 C ATOM 675 O ILE A 42 -5.526 1.568 2.887 1.00 60.44 O ATOM 676 CB ILE A 42 -3.656 2.318 0.576 1.00 11.13 C ATOM 677 CG1 ILE A 42 -2.803 3.340 -0.184 1.00 41.34 C ATOM 678 CG2 ILE A 42 -3.856 1.061 -0.256 1.00 64.22 C ATOM 679 CD1 ILE A 42 -1.422 2.833 -0.546 1.00 71.25 C ATOM 0 H ILE A 42 -4.473 3.944 2.709 1.00 3.23 H new ATOM 0 HA ILE A 42 -5.570 3.219 0.076 1.00 11.25 H new ATOM 0 HB ILE A 42 -3.125 2.048 1.489 1.00 11.13 H new ATOM 0 HG12 ILE A 42 -3.325 3.629 -1.096 1.00 41.34 H new ATOM 0 HG13 ILE A 42 -2.702 4.239 0.424 1.00 41.34 H new ATOM 0 HG21 ILE A 42 -2.885 0.645 -0.526 1.00 64.22 H new ATOM 0 HG22 ILE A 42 -4.417 0.327 0.323 1.00 64.22 H new ATOM 0 HG23 ILE A 42 -4.409 1.309 -1.162 1.00 64.22 H new ATOM 0 HD11 ILE A 42 -0.878 3.611 -1.082 1.00 71.25 H new ATOM 0 HD12 ILE A 42 -0.881 2.571 0.363 1.00 71.25 H new ATOM 0 HD13 ILE A 42 -1.513 1.951 -1.180 1.00 71.25 H new ATOM 691 N TYR A 43 -6.830 1.316 1.077 1.00 61.53 N ATOM 692 CA TYR A 43 -7.558 0.178 1.612 1.00 20.22 C ATOM 693 C TYR A 43 -7.014 -1.108 1.009 1.00 2.44 C ATOM 694 O TYR A 43 -6.931 -1.238 -0.212 1.00 62.14 O ATOM 695 CB TYR A 43 -9.057 0.299 1.307 1.00 0.51 C ATOM 696 CG TYR A 43 -9.871 -0.897 1.762 1.00 63.44 C ATOM 697 CD1 TYR A 43 -9.952 -1.241 3.106 1.00 10.43 C ATOM 698 CD2 TYR A 43 -10.557 -1.682 0.840 1.00 10.11 C ATOM 699 CE1 TYR A 43 -10.692 -2.335 3.518 1.00 33.34 C ATOM 700 CE2 TYR A 43 -11.300 -2.776 1.245 1.00 0.32 C ATOM 701 CZ TYR A 43 -11.364 -3.101 2.585 1.00 64.11 C ATOM 702 OH TYR A 43 -12.106 -4.189 2.995 1.00 4.33 O ATOM 0 H TYR A 43 -7.166 1.641 0.170 1.00 61.53 H new ATOM 0 HA TYR A 43 -7.425 0.159 2.694 1.00 20.22 H new ATOM 0 HB2 TYR A 43 -9.445 1.196 1.789 1.00 0.51 H new ATOM 0 HB3 TYR A 43 -9.191 0.431 0.233 1.00 0.51 H new ATOM 0 HD1 TYR A 43 -9.429 -0.645 3.840 1.00 10.43 H new ATOM 0 HD2 TYR A 43 -10.508 -1.433 -0.210 1.00 10.11 H new ATOM 0 HE1 TYR A 43 -10.744 -2.590 4.566 1.00 33.34 H new ATOM 0 HE2 TYR A 43 -11.828 -3.373 0.516 1.00 0.32 H new ATOM 0 HH TYR A 43 -12.516 -4.618 2.215 1.00 4.33 H new ATOM 712 N ILE A 44 -6.626 -2.047 1.856 1.00 23.11 N ATOM 713 CA ILE A 44 -6.159 -3.337 1.381 1.00 55.14 C ATOM 714 C ILE A 44 -7.344 -4.274 1.203 1.00 41.20 C ATOM 715 O ILE A 44 -7.860 -4.837 2.171 1.00 24.33 O ATOM 716 CB ILE A 44 -5.126 -3.976 2.336 1.00 73.23 C ATOM 717 CG1 ILE A 44 -3.971 -3.005 2.600 1.00 62.43 C ATOM 718 CG2 ILE A 44 -4.603 -5.285 1.752 1.00 21.44 C ATOM 719 CD1 ILE A 44 -3.205 -2.607 1.354 1.00 31.35 C ATOM 0 H ILE A 44 -6.625 -1.941 2.870 1.00 23.11 H new ATOM 0 HA ILE A 44 -5.660 -3.174 0.425 1.00 55.14 H new ATOM 0 HB ILE A 44 -5.616 -4.193 3.285 1.00 73.23 H new ATOM 0 HG12 ILE A 44 -4.366 -2.106 3.074 1.00 62.43 H new ATOM 0 HG13 ILE A 44 -3.280 -3.462 3.309 1.00 62.43 H new ATOM 0 HG21 ILE A 44 -3.876 -5.724 2.436 1.00 21.44 H new ATOM 0 HG22 ILE A 44 -5.433 -5.978 1.611 1.00 21.44 H new ATOM 0 HG23 ILE A 44 -4.126 -5.090 0.792 1.00 21.44 H new ATOM 0 HD11 ILE A 44 -2.404 -1.919 1.624 1.00 31.35 H new ATOM 0 HD12 ILE A 44 -2.778 -3.496 0.890 1.00 31.35 H new ATOM 0 HD13 ILE A 44 -3.881 -2.120 0.651 1.00 31.35 H new ATOM 731 N GLU A 45 -7.791 -4.404 -0.037 1.00 63.52 N ATOM 732 CA GLU A 45 -8.961 -5.206 -0.354 1.00 0.42 C ATOM 733 C GLU A 45 -8.595 -6.684 -0.412 1.00 63.24 C ATOM 734 O GLU A 45 -9.330 -7.542 0.081 1.00 65.02 O ATOM 735 CB GLU A 45 -9.543 -4.751 -1.692 1.00 45.22 C ATOM 736 CG GLU A 45 -10.831 -5.452 -2.075 1.00 61.11 C ATOM 737 CD GLU A 45 -11.301 -5.064 -3.458 1.00 5.12 C ATOM 738 OE1 GLU A 45 -11.951 -4.008 -3.594 1.00 24.12 O ATOM 739 OE2 GLU A 45 -11.015 -5.814 -4.416 1.00 60.20 O ATOM 0 H GLU A 45 -7.356 -3.960 -0.846 1.00 63.52 H new ATOM 0 HA GLU A 45 -9.708 -5.070 0.428 1.00 0.42 H new ATOM 0 HB2 GLU A 45 -9.724 -3.677 -1.651 1.00 45.22 H new ATOM 0 HB3 GLU A 45 -8.803 -4.920 -2.474 1.00 45.22 H new ATOM 0 HG2 GLU A 45 -10.682 -6.531 -2.033 1.00 61.11 H new ATOM 0 HG3 GLU A 45 -11.606 -5.208 -1.348 1.00 61.11 H new ATOM 746 N GLY A 46 -7.453 -6.970 -1.017 1.00 34.01 N ATOM 747 CA GLY A 46 -6.984 -8.334 -1.124 1.00 10.53 C ATOM 748 C GLY A 46 -5.758 -8.429 -2.002 1.00 5.13 C ATOM 749 O GLY A 46 -5.197 -7.412 -2.389 1.00 11.43 O ATOM 0 H GLY A 46 -6.838 -6.274 -1.439 1.00 34.01 H new ATOM 0 HA2 GLY A 46 -6.753 -8.720 -0.131 1.00 10.53 H new ATOM 0 HA3 GLY A 46 -7.776 -8.961 -1.533 1.00 10.53 H new ATOM 753 N LYS A 47 -5.323 -9.640 -2.292 1.00 20.43 N ATOM 754 CA LYS A 47 -4.190 -9.859 -3.182 1.00 20.14 C ATOM 755 C LYS A 47 -4.353 -11.199 -3.880 1.00 10.25 C ATOM 756 O LYS A 47 -5.189 -12.009 -3.476 1.00 14.40 O ATOM 757 CB LYS A 47 -2.869 -9.826 -2.400 1.00 71.24 C ATOM 758 CG LYS A 47 -2.834 -10.816 -1.253 1.00 33.44 C ATOM 759 CD LYS A 47 -1.781 -10.469 -0.206 1.00 73.03 C ATOM 760 CE LYS A 47 -0.398 -10.300 -0.810 1.00 60.24 C ATOM 761 NZ LYS A 47 0.669 -10.437 0.216 1.00 1.22 N ATOM 0 H LYS A 47 -5.738 -10.496 -1.923 1.00 20.43 H new ATOM 0 HA LYS A 47 -4.163 -9.061 -3.924 1.00 20.14 H new ATOM 0 HB2 LYS A 47 -2.045 -10.038 -3.081 1.00 71.24 H new ATOM 0 HB3 LYS A 47 -2.709 -8.821 -2.010 1.00 71.24 H new ATOM 0 HG2 LYS A 47 -3.815 -10.850 -0.778 1.00 33.44 H new ATOM 0 HG3 LYS A 47 -2.635 -11.813 -1.645 1.00 33.44 H new ATOM 0 HD2 LYS A 47 -2.068 -9.548 0.302 1.00 73.03 H new ATOM 0 HD3 LYS A 47 -1.751 -11.254 0.549 1.00 73.03 H new ATOM 0 HE2 LYS A 47 -0.249 -11.044 -1.592 1.00 60.24 H new ATOM 0 HE3 LYS A 47 -0.324 -9.321 -1.283 1.00 60.24 H new ATOM 0 HZ1 LYS A 47 1.599 -10.316 -0.232 1.00 1.22 H new ATOM 0 HZ2 LYS A 47 0.541 -9.711 0.949 1.00 1.22 H new ATOM 0 HZ3 LYS A 47 0.614 -11.381 0.650 1.00 1.22 H new ATOM 775 N ALA A 48 -3.574 -11.424 -4.924 1.00 15.33 N ATOM 776 CA ALA A 48 -3.551 -12.717 -5.586 1.00 64.01 C ATOM 777 C ALA A 48 -2.991 -13.774 -4.636 1.00 52.42 C ATOM 778 O ALA A 48 -2.278 -13.435 -3.695 1.00 62.31 O ATOM 779 CB ALA A 48 -2.721 -12.632 -6.857 1.00 4.13 C ATOM 0 H ALA A 48 -2.949 -10.728 -5.331 1.00 15.33 H new ATOM 0 HA ALA A 48 -4.566 -13.005 -5.860 1.00 64.01 H new ATOM 0 HB1 ALA A 48 -2.708 -13.605 -7.349 1.00 4.13 H new ATOM 0 HB2 ALA A 48 -3.158 -11.892 -7.528 1.00 4.13 H new ATOM 0 HB3 ALA A 48 -1.702 -12.338 -6.607 1.00 4.13 H new ATOM 785 N PRO A 49 -3.320 -15.060 -4.850 1.00 23.30 N ATOM 786 CA PRO A 49 -2.819 -16.161 -4.012 1.00 34.04 C ATOM 787 C PRO A 49 -1.293 -16.161 -3.869 1.00 64.43 C ATOM 788 O PRO A 49 -0.756 -16.565 -2.836 1.00 11.44 O ATOM 789 CB PRO A 49 -3.286 -17.412 -4.756 1.00 70.50 C ATOM 790 CG PRO A 49 -4.496 -16.972 -5.503 1.00 74.54 C ATOM 791 CD PRO A 49 -4.239 -15.545 -5.898 1.00 40.12 C ATOM 0 HA PRO A 49 -3.190 -16.086 -2.990 1.00 34.04 H new ATOM 0 HB2 PRO A 49 -2.515 -17.783 -5.432 1.00 70.50 H new ATOM 0 HB3 PRO A 49 -3.519 -18.221 -4.064 1.00 70.50 H new ATOM 0 HG2 PRO A 49 -4.662 -17.597 -6.381 1.00 74.54 H new ATOM 0 HG3 PRO A 49 -5.389 -17.051 -4.882 1.00 74.54 H new ATOM 0 HD2 PRO A 49 -3.790 -15.477 -6.889 1.00 40.12 H new ATOM 0 HD3 PRO A 49 -5.160 -14.963 -5.925 1.00 40.12 H new ATOM 799 N MET A 50 -0.597 -15.711 -4.907 1.00 42.25 N ATOM 800 CA MET A 50 0.861 -15.634 -4.876 1.00 62.43 C ATOM 801 C MET A 50 1.312 -14.304 -4.262 1.00 75.14 C ATOM 802 O MET A 50 2.493 -14.095 -3.978 1.00 21.03 O ATOM 803 CB MET A 50 1.427 -15.801 -6.291 1.00 43.41 C ATOM 804 CG MET A 50 2.941 -15.919 -6.346 1.00 10.52 C ATOM 805 SD MET A 50 3.539 -16.379 -7.988 1.00 0.31 S ATOM 806 CE MET A 50 2.766 -17.983 -8.179 1.00 61.04 C ATOM 0 H MET A 50 -1.017 -15.394 -5.781 1.00 42.25 H new ATOM 0 HA MET A 50 1.245 -16.442 -4.254 1.00 62.43 H new ATOM 0 HB2 MET A 50 0.988 -16.690 -6.743 1.00 43.41 H new ATOM 0 HB3 MET A 50 1.118 -14.949 -6.897 1.00 43.41 H new ATOM 0 HG2 MET A 50 3.387 -14.969 -6.053 1.00 10.52 H new ATOM 0 HG3 MET A 50 3.271 -16.663 -5.621 1.00 10.52 H new ATOM 0 HE1 MET A 50 3.465 -18.669 -8.657 1.00 61.04 H new ATOM 0 HE2 MET A 50 2.488 -18.372 -7.199 1.00 61.04 H new ATOM 0 HE3 MET A 50 1.874 -17.886 -8.797 1.00 61.04 H new ATOM 816 N GLY A 51 0.351 -13.417 -4.047 1.00 13.35 N ATOM 817 CA GLY A 51 0.626 -12.129 -3.440 1.00 44.12 C ATOM 818 C GLY A 51 0.823 -11.037 -4.466 1.00 2.31 C ATOM 819 O GLY A 51 0.867 -9.857 -4.127 1.00 52.43 O ATOM 0 H GLY A 51 -0.629 -13.570 -4.286 1.00 13.35 H new ATOM 0 HA2 GLY A 51 -0.198 -11.859 -2.780 1.00 44.12 H new ATOM 0 HA3 GLY A 51 1.519 -12.206 -2.820 1.00 44.12 H new ATOM 823 N ASP A 52 0.950 -11.430 -5.718 1.00 15.11 N ATOM 824 CA ASP A 52 1.121 -10.490 -6.802 1.00 70.31 C ATOM 825 C ASP A 52 0.166 -10.819 -7.941 1.00 70.14 C ATOM 826 O ASP A 52 0.100 -11.960 -8.400 1.00 23.12 O ATOM 827 CB ASP A 52 2.567 -10.501 -7.296 1.00 71.14 C ATOM 828 CG ASP A 52 3.044 -11.876 -7.720 1.00 10.21 C ATOM 829 OD1 ASP A 52 3.403 -12.678 -6.834 1.00 55.11 O ATOM 830 OD2 ASP A 52 3.076 -12.152 -8.936 1.00 34.31 O ATOM 0 H ASP A 52 0.937 -12.407 -6.009 1.00 15.11 H new ATOM 0 HA ASP A 52 0.891 -9.490 -6.434 1.00 70.31 H new ATOM 0 HB2 ASP A 52 2.661 -9.815 -8.138 1.00 71.14 H new ATOM 0 HB3 ASP A 52 3.217 -10.126 -6.505 1.00 71.14 H new ATOM 835 N PRO A 53 -0.610 -9.825 -8.391 1.00 41.14 N ATOM 836 CA PRO A 53 -0.588 -8.481 -7.821 1.00 60.43 C ATOM 837 C PRO A 53 -1.470 -8.352 -6.578 1.00 3.11 C ATOM 838 O PRO A 53 -2.232 -9.261 -6.237 1.00 14.12 O ATOM 839 CB PRO A 53 -1.135 -7.625 -8.961 1.00 21.02 C ATOM 840 CG PRO A 53 -2.078 -8.523 -9.689 1.00 15.20 C ATOM 841 CD PRO A 53 -1.568 -9.933 -9.504 1.00 21.53 C ATOM 0 HA PRO A 53 0.407 -8.192 -7.481 1.00 60.43 H new ATOM 0 HB2 PRO A 53 -1.645 -6.739 -8.582 1.00 21.02 H new ATOM 0 HB3 PRO A 53 -0.335 -7.277 -9.614 1.00 21.02 H new ATOM 0 HG2 PRO A 53 -3.089 -8.423 -9.295 1.00 15.20 H new ATOM 0 HG3 PRO A 53 -2.121 -8.263 -10.747 1.00 15.20 H new ATOM 0 HD2 PRO A 53 -2.378 -10.622 -9.267 1.00 21.53 H new ATOM 0 HD3 PRO A 53 -1.088 -10.305 -10.409 1.00 21.53 H new ATOM 849 N ILE A 54 -1.344 -7.225 -5.898 1.00 5.14 N ATOM 850 CA ILE A 54 -2.175 -6.918 -4.745 1.00 2.32 C ATOM 851 C ILE A 54 -3.315 -6.000 -5.188 1.00 63.41 C ATOM 852 O ILE A 54 -3.114 -5.127 -6.034 1.00 10.01 O ATOM 853 CB ILE A 54 -1.355 -6.208 -3.638 1.00 1.14 C ATOM 854 CG1 ILE A 54 -0.073 -6.992 -3.336 1.00 75.42 C ATOM 855 CG2 ILE A 54 -2.187 -6.040 -2.372 1.00 63.03 C ATOM 856 CD1 ILE A 54 0.830 -6.319 -2.324 1.00 15.55 C ATOM 0 H ILE A 54 -0.665 -6.499 -6.128 1.00 5.14 H new ATOM 0 HA ILE A 54 -2.566 -7.851 -4.339 1.00 2.32 H new ATOM 0 HB ILE A 54 -1.080 -5.217 -3.999 1.00 1.14 H new ATOM 0 HG12 ILE A 54 -0.342 -7.982 -2.968 1.00 75.42 H new ATOM 0 HG13 ILE A 54 0.481 -7.137 -4.264 1.00 75.42 H new ATOM 0 HG21 ILE A 54 -1.591 -5.539 -1.609 1.00 63.03 H new ATOM 0 HG22 ILE A 54 -3.070 -5.441 -2.594 1.00 63.03 H new ATOM 0 HG23 ILE A 54 -2.496 -7.020 -2.007 1.00 63.03 H new ATOM 0 HD11 ILE A 54 1.716 -6.933 -2.162 1.00 15.55 H new ATOM 0 HD12 ILE A 54 1.130 -5.340 -2.698 1.00 15.55 H new ATOM 0 HD13 ILE A 54 0.295 -6.199 -1.382 1.00 15.55 H new ATOM 868 N ALA A 55 -4.500 -6.201 -4.636 1.00 0.20 N ATOM 869 CA ALA A 55 -5.648 -5.372 -4.967 1.00 40.11 C ATOM 870 C ALA A 55 -5.869 -4.321 -3.889 1.00 74.34 C ATOM 871 O ALA A 55 -6.370 -4.621 -2.800 1.00 5.11 O ATOM 872 CB ALA A 55 -6.893 -6.225 -5.142 1.00 64.10 C ATOM 0 H ALA A 55 -4.693 -6.934 -3.954 1.00 0.20 H new ATOM 0 HA ALA A 55 -5.447 -4.865 -5.911 1.00 40.11 H new ATOM 0 HB1 ALA A 55 -7.740 -5.586 -5.389 1.00 64.10 H new ATOM 0 HB2 ALA A 55 -6.733 -6.942 -5.947 1.00 64.10 H new ATOM 0 HB3 ALA A 55 -7.101 -6.760 -4.215 1.00 64.10 H new ATOM 878 N LEU A 56 -5.470 -3.098 -4.183 1.00 40.25 N ATOM 879 CA LEU A 56 -5.591 -2.011 -3.230 1.00 33.33 C ATOM 880 C LEU A 56 -6.684 -1.054 -3.672 1.00 60.53 C ATOM 881 O LEU A 56 -7.097 -1.071 -4.827 1.00 65.00 O ATOM 882 CB LEU A 56 -4.267 -1.245 -3.102 1.00 13.21 C ATOM 883 CG LEU A 56 -3.044 -2.081 -2.708 1.00 33.43 C ATOM 884 CD1 LEU A 56 -2.448 -2.784 -3.918 1.00 13.54 C ATOM 885 CD2 LEU A 56 -1.999 -1.207 -2.045 1.00 24.34 C ATOM 0 H LEU A 56 -5.058 -2.832 -5.077 1.00 40.25 H new ATOM 0 HA LEU A 56 -5.845 -2.437 -2.260 1.00 33.33 H new ATOM 0 HB2 LEU A 56 -4.058 -0.758 -4.054 1.00 13.21 H new ATOM 0 HB3 LEU A 56 -4.397 -0.455 -2.362 1.00 13.21 H new ATOM 0 HG LEU A 56 -3.371 -2.842 -1.999 1.00 33.43 H new ATOM 0 HD11 LEU A 56 -1.582 -3.369 -3.609 1.00 13.54 H new ATOM 0 HD12 LEU A 56 -3.194 -3.445 -4.359 1.00 13.54 H new ATOM 0 HD13 LEU A 56 -2.140 -2.042 -4.655 1.00 13.54 H new ATOM 0 HD21 LEU A 56 -1.137 -1.815 -1.771 1.00 24.34 H new ATOM 0 HD22 LEU A 56 -1.686 -0.425 -2.737 1.00 24.34 H new ATOM 0 HD23 LEU A 56 -2.421 -0.751 -1.149 1.00 24.34 H new ATOM 897 N ARG A 57 -7.159 -0.238 -2.752 1.00 31.41 N ATOM 898 CA ARG A 57 -8.107 0.814 -3.076 1.00 62.42 C ATOM 899 C ARG A 57 -7.643 2.110 -2.431 1.00 11.14 C ATOM 900 O ARG A 57 -7.819 2.321 -1.231 1.00 51.24 O ATOM 901 CB ARG A 57 -9.512 0.433 -2.605 1.00 3.23 C ATOM 902 CG ARG A 57 -10.593 1.431 -2.992 1.00 21.41 C ATOM 903 CD ARG A 57 -11.966 0.913 -2.600 1.00 62.22 C ATOM 904 NE ARG A 57 -13.002 1.936 -2.703 1.00 63.14 N ATOM 905 CZ ARG A 57 -14.261 1.753 -2.304 1.00 62.32 C ATOM 906 NH1 ARG A 57 -14.659 0.560 -1.872 1.00 45.43 N ATOM 907 NH2 ARG A 57 -15.124 2.759 -2.361 1.00 51.52 N ATOM 0 H ARG A 57 -6.902 -0.283 -1.766 1.00 31.41 H new ATOM 0 HA ARG A 57 -8.152 0.950 -4.156 1.00 62.42 H new ATOM 0 HB2 ARG A 57 -9.769 -0.542 -3.018 1.00 3.23 H new ATOM 0 HB3 ARG A 57 -9.503 0.327 -1.520 1.00 3.23 H new ATOM 0 HG2 ARG A 57 -10.406 2.386 -2.502 1.00 21.41 H new ATOM 0 HG3 ARG A 57 -10.560 1.612 -4.066 1.00 21.41 H new ATOM 0 HD2 ARG A 57 -12.228 0.070 -3.239 1.00 62.22 H new ATOM 0 HD3 ARG A 57 -11.931 0.539 -1.577 1.00 62.22 H new ATOM 0 HE ARG A 57 -12.749 2.840 -3.102 1.00 63.14 H new ATOM 0 HH11 ARG A 57 -14.000 -0.218 -1.845 1.00 45.43 H new ATOM 0 HH12 ARG A 57 -15.623 0.423 -1.567 1.00 45.43 H new ATOM 0 HH21 ARG A 57 -14.824 3.669 -2.709 1.00 51.52 H new ATOM 0 HH22 ARG A 57 -16.088 2.622 -2.056 1.00 51.52 H new ATOM 921 N LEU A 58 -7.029 2.961 -3.229 1.00 23.51 N ATOM 922 CA LEU A 58 -6.389 4.161 -2.724 1.00 60.33 C ATOM 923 C LEU A 58 -6.879 5.391 -3.471 1.00 73.11 C ATOM 924 O LEU A 58 -7.275 5.295 -4.635 1.00 41.23 O ATOM 925 CB LEU A 58 -4.866 4.022 -2.841 1.00 44.13 C ATOM 926 CG LEU A 58 -4.347 3.542 -4.202 1.00 21.14 C ATOM 927 CD1 LEU A 58 -4.164 4.706 -5.167 1.00 22.15 C ATOM 928 CD2 LEU A 58 -3.047 2.773 -4.033 1.00 42.41 C ATOM 0 H LEU A 58 -6.959 2.842 -4.240 1.00 23.51 H new ATOM 0 HA LEU A 58 -6.652 4.286 -1.674 1.00 60.33 H new ATOM 0 HB2 LEU A 58 -4.413 4.988 -2.620 1.00 44.13 H new ATOM 0 HB3 LEU A 58 -4.523 3.326 -2.075 1.00 44.13 H new ATOM 0 HG LEU A 58 -5.093 2.873 -4.630 1.00 21.14 H new ATOM 0 HD11 LEU A 58 -3.795 4.332 -6.122 1.00 22.15 H new ATOM 0 HD12 LEU A 58 -5.120 5.207 -5.318 1.00 22.15 H new ATOM 0 HD13 LEU A 58 -3.445 5.413 -4.752 1.00 22.15 H new ATOM 0 HD21 LEU A 58 -2.692 2.439 -5.008 1.00 42.41 H new ATOM 0 HD22 LEU A 58 -2.298 3.420 -3.576 1.00 42.41 H new ATOM 0 HD23 LEU A 58 -3.217 1.907 -3.393 1.00 42.41 H new ATOM 940 N ARG A 59 -6.897 6.531 -2.778 1.00 64.22 N ATOM 941 CA ARG A 59 -7.261 7.824 -3.374 1.00 51.01 C ATOM 942 C ARG A 59 -8.758 7.904 -3.714 1.00 51.11 C ATOM 943 O ARG A 59 -9.325 8.992 -3.813 1.00 12.15 O ATOM 944 CB ARG A 59 -6.394 8.091 -4.618 1.00 35.21 C ATOM 945 CG ARG A 59 -6.744 9.367 -5.367 1.00 71.04 C ATOM 946 CD ARG A 59 -5.808 9.595 -6.541 1.00 44.00 C ATOM 947 NE ARG A 59 -6.309 10.626 -7.448 1.00 72.42 N ATOM 948 CZ ARG A 59 -5.540 11.336 -8.266 1.00 4.21 C ATOM 949 NH1 ARG A 59 -4.229 11.141 -8.286 1.00 52.11 N ATOM 950 NH2 ARG A 59 -6.083 12.244 -9.064 1.00 11.13 N ATOM 0 H ARG A 59 -6.660 6.587 -1.787 1.00 64.22 H new ATOM 0 HA ARG A 59 -7.068 8.601 -2.634 1.00 51.01 H new ATOM 0 HB2 ARG A 59 -5.348 8.138 -4.314 1.00 35.21 H new ATOM 0 HB3 ARG A 59 -6.489 7.246 -5.300 1.00 35.21 H new ATOM 0 HG2 ARG A 59 -7.772 9.310 -5.725 1.00 71.04 H new ATOM 0 HG3 ARG A 59 -6.690 10.217 -4.686 1.00 71.04 H new ATOM 0 HD2 ARG A 59 -4.825 9.885 -6.170 1.00 44.00 H new ATOM 0 HD3 ARG A 59 -5.679 8.661 -7.089 1.00 44.00 H new ATOM 0 HE ARG A 59 -7.312 10.812 -7.453 1.00 72.42 H new ATOM 0 HH11 ARG A 59 -3.808 10.444 -7.672 1.00 52.11 H new ATOM 0 HH12 ARG A 59 -3.642 11.688 -8.915 1.00 52.11 H new ATOM 0 HH21 ARG A 59 -7.091 12.398 -9.050 1.00 11.13 H new ATOM 0 HH22 ARG A 59 -5.493 12.789 -9.692 1.00 11.13 H new ATOM 964 N GLY A 60 -9.395 6.752 -3.877 1.00 61.43 N ATOM 965 CA GLY A 60 -10.807 6.721 -4.190 1.00 51.24 C ATOM 966 C GLY A 60 -11.148 5.628 -5.180 1.00 52.42 C ATOM 967 O GLY A 60 -12.317 5.423 -5.509 1.00 50.23 O ATOM 0 H GLY A 60 -8.955 5.835 -3.797 1.00 61.43 H new ATOM 0 HA2 GLY A 60 -11.378 6.570 -3.274 1.00 51.24 H new ATOM 0 HA3 GLY A 60 -11.109 7.686 -4.598 1.00 51.24 H new ATOM 971 N TYR A 61 -10.130 4.929 -5.660 1.00 55.11 N ATOM 972 CA TYR A 61 -10.332 3.838 -6.602 1.00 61.20 C ATOM 973 C TYR A 61 -9.445 2.653 -6.272 1.00 34.13 C ATOM 974 O TYR A 61 -8.427 2.789 -5.596 1.00 23.32 O ATOM 975 CB TYR A 61 -10.057 4.291 -8.039 1.00 14.02 C ATOM 976 CG TYR A 61 -8.781 5.092 -8.206 1.00 72.41 C ATOM 977 CD1 TYR A 61 -7.547 4.462 -8.332 1.00 22.52 C ATOM 978 CD2 TYR A 61 -8.811 6.481 -8.233 1.00 61.42 C ATOM 979 CE1 TYR A 61 -6.382 5.192 -8.478 1.00 35.44 C ATOM 980 CE2 TYR A 61 -7.651 7.216 -8.378 1.00 61.14 C ATOM 981 CZ TYR A 61 -6.440 6.569 -8.501 1.00 34.12 C ATOM 982 OH TYR A 61 -5.283 7.304 -8.636 1.00 21.02 O ATOM 0 H TYR A 61 -9.155 5.098 -5.412 1.00 55.11 H new ATOM 0 HA TYR A 61 -11.375 3.533 -6.517 1.00 61.20 H new ATOM 0 HB2 TYR A 61 -10.007 3.412 -8.682 1.00 14.02 H new ATOM 0 HB3 TYR A 61 -10.898 4.892 -8.385 1.00 14.02 H new ATOM 0 HD1 TYR A 61 -7.498 3.383 -8.315 1.00 22.52 H new ATOM 0 HD2 TYR A 61 -9.757 6.994 -8.139 1.00 61.42 H new ATOM 0 HE1 TYR A 61 -5.432 4.686 -8.573 1.00 35.44 H new ATOM 0 HE2 TYR A 61 -7.692 8.295 -8.395 1.00 61.14 H new ATOM 0 HH TYR A 61 -4.623 6.786 -9.143 1.00 21.02 H new ATOM 992 N SER A 62 -9.844 1.496 -6.751 1.00 73.43 N ATOM 993 CA SER A 62 -9.048 0.296 -6.590 1.00 13.13 C ATOM 994 C SER A 62 -8.040 0.178 -7.729 1.00 51.21 C ATOM 995 O SER A 62 -8.303 0.598 -8.856 1.00 55.22 O ATOM 996 CB SER A 62 -9.947 -0.941 -6.529 1.00 55.33 C ATOM 997 OG SER A 62 -9.194 -2.123 -6.304 1.00 55.22 O ATOM 0 H SER A 62 -10.719 1.359 -7.258 1.00 73.43 H new ATOM 0 HA SER A 62 -8.501 0.362 -5.650 1.00 13.13 H new ATOM 0 HB2 SER A 62 -10.681 -0.819 -5.732 1.00 55.33 H new ATOM 0 HB3 SER A 62 -10.502 -1.035 -7.462 1.00 55.33 H new ATOM 0 HG SER A 62 -8.395 -1.907 -5.779 1.00 55.22 H new ATOM 1003 N LEU A 63 -6.888 -0.388 -7.415 1.00 71.11 N ATOM 1004 CA LEU A 63 -5.800 -0.535 -8.372 1.00 22.02 C ATOM 1005 C LEU A 63 -4.904 -1.694 -7.959 1.00 10.31 C ATOM 1006 O LEU A 63 -4.751 -1.973 -6.767 1.00 60.42 O ATOM 1007 CB LEU A 63 -4.983 0.762 -8.453 1.00 24.45 C ATOM 1008 CG LEU A 63 -3.849 0.765 -9.483 1.00 23.30 C ATOM 1009 CD1 LEU A 63 -4.408 0.627 -10.890 1.00 5.13 C ATOM 1010 CD2 LEU A 63 -3.021 2.036 -9.356 1.00 23.13 C ATOM 0 H LEU A 63 -6.678 -0.760 -6.489 1.00 71.11 H new ATOM 0 HA LEU A 63 -6.220 -0.742 -9.356 1.00 22.02 H new ATOM 0 HB2 LEU A 63 -5.661 1.584 -8.683 1.00 24.45 H new ATOM 0 HB3 LEU A 63 -4.558 0.965 -7.470 1.00 24.45 H new ATOM 0 HG LEU A 63 -3.200 -0.089 -9.288 1.00 23.30 H new ATOM 0 HD11 LEU A 63 -3.589 0.631 -11.609 1.00 5.13 H new ATOM 0 HD12 LEU A 63 -4.959 -0.310 -10.972 1.00 5.13 H new ATOM 0 HD13 LEU A 63 -5.078 1.461 -11.099 1.00 5.13 H new ATOM 0 HD21 LEU A 63 -2.219 2.023 -10.094 1.00 23.13 H new ATOM 0 HD22 LEU A 63 -3.658 2.904 -9.527 1.00 23.13 H new ATOM 0 HD23 LEU A 63 -2.592 2.092 -8.356 1.00 23.13 H new ATOM 1022 N SER A 64 -4.328 -2.373 -8.937 1.00 52.24 N ATOM 1023 CA SER A 64 -3.452 -3.492 -8.674 1.00 12.13 C ATOM 1024 C SER A 64 -1.992 -3.055 -8.715 1.00 21.25 C ATOM 1025 O SER A 64 -1.568 -2.333 -9.623 1.00 34.32 O ATOM 1026 CB SER A 64 -3.705 -4.591 -9.698 1.00 30.20 C ATOM 1027 OG SER A 64 -4.824 -5.387 -9.333 1.00 63.31 O ATOM 0 H SER A 64 -4.456 -2.163 -9.927 1.00 52.24 H new ATOM 0 HA SER A 64 -3.662 -3.877 -7.676 1.00 12.13 H new ATOM 0 HB2 SER A 64 -3.877 -4.146 -10.678 1.00 30.20 H new ATOM 0 HB3 SER A 64 -2.820 -5.221 -9.785 1.00 30.20 H new ATOM 0 HG SER A 64 -4.965 -6.083 -10.008 1.00 63.31 H new ATOM 1033 N LEU A 65 -1.239 -3.484 -7.717 1.00 50.21 N ATOM 1034 CA LEU A 65 0.183 -3.165 -7.623 1.00 20.30 C ATOM 1035 C LEU A 65 1.004 -4.444 -7.548 1.00 4.24 C ATOM 1036 O LEU A 65 0.531 -5.462 -7.040 1.00 70.43 O ATOM 1037 CB LEU A 65 0.486 -2.293 -6.392 1.00 13.21 C ATOM 1038 CG LEU A 65 0.218 -0.787 -6.539 1.00 34.15 C ATOM 1039 CD1 LEU A 65 0.921 -0.234 -7.768 1.00 22.04 C ATOM 1040 CD2 LEU A 65 -1.277 -0.490 -6.590 1.00 1.14 C ATOM 0 H LEU A 65 -1.589 -4.060 -6.951 1.00 50.21 H new ATOM 0 HA LEU A 65 0.453 -2.604 -8.518 1.00 20.30 H new ATOM 0 HB2 LEU A 65 -0.106 -2.665 -5.556 1.00 13.21 H new ATOM 0 HB3 LEU A 65 1.534 -2.429 -6.126 1.00 13.21 H new ATOM 0 HG LEU A 65 0.623 -0.289 -5.658 1.00 34.15 H new ATOM 0 HD11 LEU A 65 0.718 0.834 -7.854 1.00 22.04 H new ATOM 0 HD12 LEU A 65 1.995 -0.393 -7.675 1.00 22.04 H new ATOM 0 HD13 LEU A 65 0.554 -0.745 -8.658 1.00 22.04 H new ATOM 0 HD21 LEU A 65 -1.431 0.584 -6.694 1.00 1.14 H new ATOM 0 HD22 LEU A 65 -1.721 -1.005 -7.442 1.00 1.14 H new ATOM 0 HD23 LEU A 65 -1.748 -0.837 -5.670 1.00 1.14 H new ATOM 1052 N ARG A 66 2.229 -4.396 -8.056 1.00 54.44 N ATOM 1053 CA ARG A 66 3.116 -5.551 -8.006 1.00 41.13 C ATOM 1054 C ARG A 66 3.807 -5.658 -6.651 1.00 13.30 C ATOM 1055 O ARG A 66 3.887 -4.686 -5.898 1.00 33.03 O ATOM 1056 CB ARG A 66 4.154 -5.493 -9.132 1.00 24.22 C ATOM 1057 CG ARG A 66 3.629 -5.998 -10.466 1.00 13.41 C ATOM 1058 CD ARG A 66 3.277 -7.476 -10.386 1.00 63.44 C ATOM 1059 NE ARG A 66 2.710 -7.983 -11.636 1.00 40.32 N ATOM 1060 CZ ARG A 66 2.566 -9.276 -11.923 1.00 53.23 C ATOM 1061 NH1 ARG A 66 2.968 -10.206 -11.065 1.00 45.45 N ATOM 1062 NH2 ARG A 66 2.025 -9.637 -13.078 1.00 60.34 N ATOM 0 H ARG A 66 2.630 -3.573 -8.506 1.00 54.44 H new ATOM 0 HA ARG A 66 2.504 -6.442 -8.146 1.00 41.13 H new ATOM 0 HB2 ARG A 66 4.493 -4.464 -9.250 1.00 24.22 H new ATOM 0 HB3 ARG A 66 5.023 -6.085 -8.845 1.00 24.22 H new ATOM 0 HG2 ARG A 66 2.748 -5.425 -10.755 1.00 13.41 H new ATOM 0 HG3 ARG A 66 4.380 -5.840 -11.240 1.00 13.41 H new ATOM 0 HD2 ARG A 66 4.172 -8.047 -10.138 1.00 63.44 H new ATOM 0 HD3 ARG A 66 2.564 -7.634 -9.577 1.00 63.44 H new ATOM 0 HE ARG A 66 2.405 -7.303 -12.332 1.00 40.32 H new ATOM 0 HH11 ARG A 66 3.391 -9.933 -10.178 1.00 45.45 H new ATOM 0 HH12 ARG A 66 2.854 -11.194 -11.293 1.00 45.45 H new ATOM 0 HH21 ARG A 66 1.721 -8.926 -13.743 1.00 60.34 H new ATOM 0 HH22 ARG A 66 1.913 -10.626 -13.302 1.00 60.34 H new ATOM 1076 N LYS A 67 4.321 -6.846 -6.362 1.00 34.43 N ATOM 1077 CA LYS A 67 4.932 -7.144 -5.073 1.00 63.40 C ATOM 1078 C LYS A 67 6.198 -6.314 -4.865 1.00 23.30 C ATOM 1079 O LYS A 67 6.479 -5.861 -3.754 1.00 5.45 O ATOM 1080 CB LYS A 67 5.249 -8.641 -5.000 1.00 45.43 C ATOM 1081 CG LYS A 67 5.759 -9.104 -3.647 1.00 61.43 C ATOM 1082 CD LYS A 67 6.028 -10.601 -3.640 1.00 32.40 C ATOM 1083 CE LYS A 67 4.763 -11.400 -3.920 1.00 71.40 C ATOM 1084 NZ LYS A 67 5.015 -12.864 -3.904 1.00 55.15 N ATOM 0 H LYS A 67 4.326 -7.630 -7.014 1.00 34.43 H new ATOM 0 HA LYS A 67 4.233 -6.884 -4.278 1.00 63.40 H new ATOM 0 HB2 LYS A 67 4.349 -9.204 -5.249 1.00 45.43 H new ATOM 0 HB3 LYS A 67 5.995 -8.880 -5.758 1.00 45.43 H new ATOM 0 HG2 LYS A 67 6.674 -8.567 -3.398 1.00 61.43 H new ATOM 0 HG3 LYS A 67 5.027 -8.860 -2.877 1.00 61.43 H new ATOM 0 HD2 LYS A 67 6.783 -10.839 -4.390 1.00 32.40 H new ATOM 0 HD3 LYS A 67 6.437 -10.893 -2.673 1.00 32.40 H new ATOM 0 HE2 LYS A 67 4.006 -11.154 -3.175 1.00 71.40 H new ATOM 0 HE3 LYS A 67 4.360 -11.112 -4.891 1.00 71.40 H new ATOM 0 HZ1 LYS A 67 4.115 -13.370 -3.776 1.00 55.15 H new ATOM 0 HZ2 LYS A 67 5.448 -13.152 -4.805 1.00 55.15 H new ATOM 0 HZ3 LYS A 67 5.658 -13.097 -3.120 1.00 55.15 H new ATOM 1098 N SER A 68 6.948 -6.106 -5.943 1.00 50.42 N ATOM 1099 CA SER A 68 8.164 -5.305 -5.886 1.00 43.22 C ATOM 1100 C SER A 68 7.837 -3.827 -5.679 1.00 14.21 C ATOM 1101 O SER A 68 8.466 -3.158 -4.864 1.00 20.41 O ATOM 1102 CB SER A 68 8.981 -5.495 -7.165 1.00 33.21 C ATOM 1103 OG SER A 68 9.316 -6.861 -7.355 1.00 25.20 O ATOM 0 H SER A 68 6.734 -6.482 -6.867 1.00 50.42 H new ATOM 0 HA SER A 68 8.756 -5.643 -5.035 1.00 43.22 H new ATOM 0 HB2 SER A 68 8.412 -5.134 -8.022 1.00 33.21 H new ATOM 0 HB3 SER A 68 9.891 -4.897 -7.112 1.00 33.21 H new ATOM 0 HG SER A 68 9.837 -6.959 -8.180 1.00 25.20 H new ATOM 1109 N GLU A 69 6.834 -3.334 -6.396 1.00 15.32 N ATOM 1110 CA GLU A 69 6.431 -1.931 -6.298 1.00 15.55 C ATOM 1111 C GLU A 69 5.933 -1.616 -4.892 1.00 52.31 C ATOM 1112 O GLU A 69 6.151 -0.525 -4.367 1.00 1.13 O ATOM 1113 CB GLU A 69 5.335 -1.631 -7.321 1.00 10.10 C ATOM 1114 CG GLU A 69 5.708 -2.032 -8.739 1.00 30.42 C ATOM 1115 CD GLU A 69 4.567 -1.850 -9.715 1.00 54.40 C ATOM 1116 OE1 GLU A 69 3.453 -2.337 -9.429 1.00 60.20 O ATOM 1117 OE2 GLU A 69 4.783 -1.235 -10.783 1.00 4.41 O ATOM 0 H GLU A 69 6.282 -3.884 -7.054 1.00 15.32 H new ATOM 0 HA GLU A 69 7.297 -1.304 -6.508 1.00 15.55 H new ATOM 0 HB2 GLU A 69 4.424 -2.154 -7.031 1.00 10.10 H new ATOM 0 HB3 GLU A 69 5.110 -0.565 -7.300 1.00 10.10 H new ATOM 0 HG2 GLU A 69 6.561 -1.438 -9.068 1.00 30.42 H new ATOM 0 HG3 GLU A 69 6.024 -3.075 -8.746 1.00 30.42 H new ATOM 1124 N ALA A 70 5.276 -2.595 -4.286 1.00 52.42 N ATOM 1125 CA ALA A 70 4.775 -2.464 -2.926 1.00 0.53 C ATOM 1126 C ALA A 70 5.921 -2.396 -1.914 1.00 61.42 C ATOM 1127 O ALA A 70 5.752 -1.897 -0.802 1.00 52.32 O ATOM 1128 CB ALA A 70 3.844 -3.622 -2.604 1.00 54.12 C ATOM 0 H ALA A 70 5.076 -3.496 -4.720 1.00 52.42 H new ATOM 0 HA ALA A 70 4.218 -1.529 -2.855 1.00 0.53 H new ATOM 0 HB1 ALA A 70 3.473 -3.518 -1.585 1.00 54.12 H new ATOM 0 HB2 ALA A 70 3.004 -3.617 -3.298 1.00 54.12 H new ATOM 0 HB3 ALA A 70 4.387 -4.562 -2.698 1.00 54.12 H new ATOM 1134 N LYS A 71 7.086 -2.903 -2.299 1.00 4.43 N ATOM 1135 CA LYS A 71 8.253 -2.879 -1.424 1.00 73.22 C ATOM 1136 C LYS A 71 8.860 -1.478 -1.390 1.00 31.13 C ATOM 1137 O LYS A 71 9.445 -1.060 -0.388 1.00 2.41 O ATOM 1138 CB LYS A 71 9.296 -3.895 -1.900 1.00 0.04 C ATOM 1139 CG LYS A 71 10.548 -3.939 -1.042 1.00 53.21 C ATOM 1140 CD LYS A 71 11.601 -4.865 -1.628 1.00 2.21 C ATOM 1141 CE LYS A 71 11.168 -6.320 -1.575 1.00 12.22 C ATOM 1142 NZ LYS A 71 12.215 -7.230 -2.111 1.00 23.02 N ATOM 0 H LYS A 71 7.248 -3.335 -3.209 1.00 4.43 H new ATOM 0 HA LYS A 71 7.937 -3.149 -0.416 1.00 73.22 H new ATOM 0 HB2 LYS A 71 8.843 -4.886 -1.915 1.00 0.04 H new ATOM 0 HB3 LYS A 71 9.578 -3.658 -2.926 1.00 0.04 H new ATOM 0 HG2 LYS A 71 10.960 -2.934 -0.948 1.00 53.21 H new ATOM 0 HG3 LYS A 71 10.289 -4.273 -0.037 1.00 53.21 H new ATOM 0 HD2 LYS A 71 11.798 -4.582 -2.662 1.00 2.21 H new ATOM 0 HD3 LYS A 71 12.536 -4.744 -1.081 1.00 2.21 H new ATOM 0 HE2 LYS A 71 10.942 -6.594 -0.545 1.00 12.22 H new ATOM 0 HE3 LYS A 71 10.249 -6.446 -2.148 1.00 12.22 H new ATOM 0 HZ1 LYS A 71 11.881 -8.213 -2.057 1.00 23.02 H new ATOM 0 HZ2 LYS A 71 12.413 -6.985 -3.102 1.00 23.02 H new ATOM 0 HZ3 LYS A 71 13.084 -7.128 -1.549 1.00 23.02 H new ATOM 1156 N ASP A 72 8.695 -0.752 -2.487 1.00 30.04 N ATOM 1157 CA ASP A 72 9.231 0.598 -2.619 1.00 12.24 C ATOM 1158 C ASP A 72 8.342 1.629 -1.919 1.00 61.11 C ATOM 1159 O ASP A 72 8.549 2.839 -2.053 1.00 61.40 O ATOM 1160 CB ASP A 72 9.389 0.957 -4.099 1.00 12.33 C ATOM 1161 CG ASP A 72 10.627 0.343 -4.728 1.00 62.32 C ATOM 1162 OD1 ASP A 72 10.606 -0.855 -5.064 1.00 62.32 O ATOM 1163 OD2 ASP A 72 11.633 1.065 -4.902 1.00 35.12 O ATOM 0 H ASP A 72 8.188 -1.080 -3.309 1.00 30.04 H new ATOM 0 HA ASP A 72 10.207 0.618 -2.135 1.00 12.24 H new ATOM 0 HB2 ASP A 72 8.507 0.623 -4.645 1.00 12.33 H new ATOM 0 HB3 ASP A 72 9.435 2.041 -4.202 1.00 12.33 H new ATOM 1168 N ILE A 73 7.364 1.146 -1.162 1.00 34.55 N ATOM 1169 CA ILE A 73 6.461 2.017 -0.419 1.00 53.34 C ATOM 1170 C ILE A 73 6.399 1.598 1.050 1.00 64.23 C ATOM 1171 O ILE A 73 6.228 0.417 1.360 1.00 23.03 O ATOM 1172 CB ILE A 73 5.030 1.991 -1.008 1.00 24.10 C ATOM 1173 CG1 ILE A 73 5.053 2.361 -2.493 1.00 25.41 C ATOM 1174 CG2 ILE A 73 4.120 2.943 -0.241 1.00 45.45 C ATOM 1175 CD1 ILE A 73 3.698 2.283 -3.164 1.00 5.20 C ATOM 0 H ILE A 73 7.175 0.150 -1.046 1.00 34.55 H new ATOM 0 HA ILE A 73 6.855 3.030 -0.500 1.00 53.34 H new ATOM 0 HB ILE A 73 4.637 0.979 -0.909 1.00 24.10 H new ATOM 0 HG12 ILE A 73 5.443 3.373 -2.599 1.00 25.41 H new ATOM 0 HG13 ILE A 73 5.744 1.697 -3.012 1.00 25.41 H new ATOM 0 HG21 ILE A 73 3.118 2.912 -0.669 1.00 45.45 H new ATOM 0 HG22 ILE A 73 4.077 2.642 0.806 1.00 45.45 H new ATOM 0 HG23 ILE A 73 4.513 3.957 -0.311 1.00 45.45 H new ATOM 0 HD11 ILE A 73 3.795 2.559 -4.214 1.00 5.20 H new ATOM 0 HD12 ILE A 73 3.314 1.266 -3.091 1.00 5.20 H new ATOM 0 HD13 ILE A 73 3.008 2.968 -2.671 1.00 5.20 H new ATOM 1187 N LEU A 74 6.550 2.569 1.946 1.00 71.42 N ATOM 1188 CA LEU A 74 6.428 2.324 3.377 1.00 53.44 C ATOM 1189 C LEU A 74 5.123 2.918 3.895 1.00 51.34 C ATOM 1190 O LEU A 74 4.852 4.107 3.702 1.00 43.43 O ATOM 1191 CB LEU A 74 7.610 2.942 4.128 1.00 10.30 C ATOM 1192 CG LEU A 74 8.969 2.290 3.867 1.00 72.23 C ATOM 1193 CD1 LEU A 74 10.068 3.044 4.599 1.00 62.43 C ATOM 1194 CD2 LEU A 74 8.949 0.828 4.291 1.00 35.15 C ATOM 0 H LEU A 74 6.758 3.538 1.703 1.00 71.42 H new ATOM 0 HA LEU A 74 6.428 1.247 3.547 1.00 53.44 H new ATOM 0 HB2 LEU A 74 7.676 3.997 3.862 1.00 10.30 H new ATOM 0 HB3 LEU A 74 7.403 2.895 5.197 1.00 10.30 H new ATOM 0 HG LEU A 74 9.174 2.334 2.797 1.00 72.23 H new ATOM 0 HD11 LEU A 74 11.029 2.568 4.403 1.00 62.43 H new ATOM 0 HD12 LEU A 74 10.097 4.076 4.249 1.00 62.43 H new ATOM 0 HD13 LEU A 74 9.868 3.030 5.670 1.00 62.43 H new ATOM 0 HD21 LEU A 74 9.924 0.380 4.098 1.00 35.15 H new ATOM 0 HD22 LEU A 74 8.723 0.761 5.355 1.00 35.15 H new ATOM 0 HD23 LEU A 74 8.186 0.295 3.724 1.00 35.15 H new ATOM 1206 N VAL A 75 4.317 2.099 4.553 1.00 55.15 N ATOM 1207 CA VAL A 75 3.000 2.532 5.003 1.00 51.23 C ATOM 1208 C VAL A 75 2.768 2.214 6.477 1.00 43.21 C ATOM 1209 O VAL A 75 3.450 1.372 7.066 1.00 13.32 O ATOM 1210 CB VAL A 75 1.870 1.886 4.167 1.00 44.23 C ATOM 1211 CG1 VAL A 75 1.908 2.376 2.727 1.00 62.04 C ATOM 1212 CG2 VAL A 75 1.966 0.368 4.218 1.00 22.12 C ATOM 0 H VAL A 75 4.549 1.134 4.787 1.00 55.15 H new ATOM 0 HA VAL A 75 2.975 3.613 4.866 1.00 51.23 H new ATOM 0 HB VAL A 75 0.916 2.186 4.601 1.00 44.23 H new ATOM 0 HG11 VAL A 75 1.103 1.906 2.161 1.00 62.04 H new ATOM 0 HG12 VAL A 75 1.781 3.458 2.708 1.00 62.04 H new ATOM 0 HG13 VAL A 75 2.867 2.115 2.279 1.00 62.04 H new ATOM 0 HG21 VAL A 75 1.163 -0.068 3.624 1.00 22.12 H new ATOM 0 HG22 VAL A 75 2.928 0.051 3.816 1.00 22.12 H new ATOM 0 HG23 VAL A 75 1.876 0.032 5.251 1.00 22.12 H new ATOM 1222 N GLU A 76 1.804 2.915 7.055 1.00 2.21 N ATOM 1223 CA GLU A 76 1.381 2.697 8.431 1.00 13.45 C ATOM 1224 C GLU A 76 -0.098 2.331 8.446 1.00 60.23 C ATOM 1225 O GLU A 76 -0.863 2.813 7.611 1.00 34.24 O ATOM 1226 CB GLU A 76 1.626 3.963 9.265 1.00 4.10 C ATOM 1227 CG GLU A 76 1.053 3.910 10.674 1.00 64.42 C ATOM 1228 CD GLU A 76 1.702 2.855 11.546 1.00 72.31 C ATOM 1229 OE1 GLU A 76 1.461 1.647 11.322 1.00 42.34 O ATOM 1230 OE2 GLU A 76 2.430 3.228 12.486 1.00 20.13 O ATOM 0 H GLU A 76 1.290 3.656 6.579 1.00 2.21 H new ATOM 0 HA GLU A 76 1.959 1.882 8.866 1.00 13.45 H new ATOM 0 HB2 GLU A 76 2.700 4.139 9.329 1.00 4.10 H new ATOM 0 HB3 GLU A 76 1.194 4.817 8.742 1.00 4.10 H new ATOM 0 HG2 GLU A 76 1.174 4.885 11.145 1.00 64.42 H new ATOM 0 HG3 GLU A 76 -0.018 3.715 10.616 1.00 64.42 H new ATOM 1237 N VAL A 77 -0.496 1.485 9.381 1.00 24.43 N ATOM 1238 CA VAL A 77 -1.881 1.060 9.477 1.00 62.51 C ATOM 1239 C VAL A 77 -2.653 1.992 10.412 1.00 60.21 C ATOM 1240 O VAL A 77 -2.177 2.339 11.495 1.00 21.25 O ATOM 1241 CB VAL A 77 -1.991 -0.410 9.954 1.00 20.20 C ATOM 1242 CG1 VAL A 77 -1.380 -0.599 11.336 1.00 31.31 C ATOM 1243 CG2 VAL A 77 -3.438 -0.882 9.931 1.00 74.52 C ATOM 0 H VAL A 77 0.121 1.079 10.084 1.00 24.43 H new ATOM 0 HA VAL A 77 -2.322 1.114 8.482 1.00 62.51 H new ATOM 0 HB VAL A 77 -1.421 -1.024 9.257 1.00 20.20 H new ATOM 0 HG11 VAL A 77 -1.476 -1.642 11.637 1.00 31.31 H new ATOM 0 HG12 VAL A 77 -0.325 -0.325 11.308 1.00 31.31 H new ATOM 0 HG13 VAL A 77 -1.901 0.035 12.054 1.00 31.31 H new ATOM 0 HG21 VAL A 77 -3.489 -1.917 10.270 1.00 74.52 H new ATOM 0 HG22 VAL A 77 -4.036 -0.254 10.591 1.00 74.52 H new ATOM 0 HG23 VAL A 77 -3.827 -0.814 8.915 1.00 74.52 H new ATOM 1253 N LEU A 78 -3.834 2.416 9.977 1.00 1.24 N ATOM 1254 CA LEU A 78 -4.646 3.345 10.758 1.00 40.31 C ATOM 1255 C LEU A 78 -5.363 2.633 11.894 1.00 50.25 C ATOM 1256 O LEU A 78 -5.825 3.262 12.849 1.00 65.02 O ATOM 1257 CB LEU A 78 -5.658 4.071 9.872 1.00 71.23 C ATOM 1258 CG LEU A 78 -5.096 5.247 9.068 1.00 70.42 C ATOM 1259 CD1 LEU A 78 -4.405 6.244 9.985 1.00 53.24 C ATOM 1260 CD2 LEU A 78 -4.151 4.772 7.977 1.00 74.05 C ATOM 0 H LEU A 78 -4.251 2.133 9.090 1.00 1.24 H new ATOM 0 HA LEU A 78 -3.969 4.083 11.189 1.00 40.31 H new ATOM 0 HB2 LEU A 78 -6.091 3.351 9.178 1.00 71.23 H new ATOM 0 HB3 LEU A 78 -6.470 4.436 10.500 1.00 71.23 H new ATOM 0 HG LEU A 78 -5.934 5.749 8.584 1.00 70.42 H new ATOM 0 HD11 LEU A 78 -4.013 7.071 9.393 1.00 53.24 H new ATOM 0 HD12 LEU A 78 -5.121 6.626 10.713 1.00 53.24 H new ATOM 0 HD13 LEU A 78 -3.585 5.751 10.507 1.00 53.24 H new ATOM 0 HD21 LEU A 78 -3.770 5.632 7.426 1.00 74.05 H new ATOM 0 HD22 LEU A 78 -3.318 4.232 8.427 1.00 74.05 H new ATOM 0 HD23 LEU A 78 -4.686 4.111 7.295 1.00 74.05 H new ATOM 1272 N LEU A 79 -5.455 1.324 11.777 1.00 44.34 N ATOM 1273 CA LEU A 79 -6.080 0.506 12.791 1.00 73.14 C ATOM 1274 C LEU A 79 -5.180 0.424 14.012 1.00 62.34 C ATOM 1275 O LEU A 79 -3.955 0.486 13.888 1.00 20.42 O ATOM 1276 CB LEU A 79 -6.366 -0.896 12.249 1.00 23.32 C ATOM 1277 CG LEU A 79 -7.302 -0.954 11.040 1.00 50.43 C ATOM 1278 CD1 LEU A 79 -7.489 -2.391 10.586 1.00 75.23 C ATOM 1279 CD2 LEU A 79 -8.646 -0.323 11.374 1.00 63.00 C ATOM 0 H LEU A 79 -5.099 0.800 10.978 1.00 44.34 H new ATOM 0 HA LEU A 79 -7.028 0.963 13.076 1.00 73.14 H new ATOM 0 HB2 LEU A 79 -5.419 -1.362 11.977 1.00 23.32 H new ATOM 0 HB3 LEU A 79 -6.798 -1.496 13.050 1.00 23.32 H new ATOM 0 HG LEU A 79 -6.850 -0.388 10.226 1.00 50.43 H new ATOM 0 HD11 LEU A 79 -8.157 -2.417 9.725 1.00 75.23 H new ATOM 0 HD12 LEU A 79 -6.523 -2.813 10.308 1.00 75.23 H new ATOM 0 HD13 LEU A 79 -7.921 -2.976 11.398 1.00 75.23 H new ATOM 0 HD21 LEU A 79 -9.298 -0.373 10.502 1.00 63.00 H new ATOM 0 HD22 LEU A 79 -9.105 -0.862 12.203 1.00 63.00 H new ATOM 0 HD23 LEU A 79 -8.498 0.719 11.657 1.00 63.00 H new ATOM 1291 N GLU A 80 -5.792 0.296 15.180 1.00 4.51 N ATOM 1292 CA GLU A 80 -5.056 0.229 16.435 1.00 34.10 C ATOM 1293 C GLU A 80 -3.973 -0.841 16.364 1.00 2.23 C ATOM 1294 O GLU A 80 -4.218 -1.955 15.890 1.00 71.34 O ATOM 1295 CB GLU A 80 -5.993 -0.072 17.611 1.00 20.21 C ATOM 1296 CG GLU A 80 -7.213 0.834 17.684 1.00 25.22 C ATOM 1297 CD GLU A 80 -8.403 0.274 16.929 1.00 54.35 C ATOM 1298 OE1 GLU A 80 -8.384 0.285 15.682 1.00 24.31 O ATOM 1299 OE2 GLU A 80 -9.364 -0.183 17.587 1.00 11.41 O ATOM 0 H GLU A 80 -6.805 0.236 15.285 1.00 4.51 H new ATOM 0 HA GLU A 80 -4.593 1.202 16.596 1.00 34.10 H new ATOM 0 HB2 GLU A 80 -6.327 -1.107 17.539 1.00 20.21 H new ATOM 0 HB3 GLU A 80 -5.431 0.018 18.541 1.00 20.21 H new ATOM 0 HG2 GLU A 80 -7.488 0.983 18.728 1.00 25.22 H new ATOM 0 HG3 GLU A 80 -6.958 1.813 17.278 1.00 25.22 H new ATOM 1306 N HIS A 81 -2.786 -0.505 16.858 1.00 33.11 N ATOM 1307 CA HIS A 81 -1.627 -1.395 16.769 1.00 70.43 C ATOM 1308 C HIS A 81 -1.695 -2.517 17.806 1.00 44.35 C ATOM 1309 O HIS A 81 -0.680 -2.920 18.377 1.00 11.33 O ATOM 1310 CB HIS A 81 -0.335 -0.591 16.928 1.00 43.11 C ATOM 1311 CG HIS A 81 -0.013 0.252 15.733 1.00 43.31 C ATOM 1312 ND1 HIS A 81 -0.399 1.568 15.616 1.00 53.21 N ATOM 1313 CD2 HIS A 81 0.655 -0.046 14.593 1.00 75.02 C ATOM 1314 CE1 HIS A 81 0.015 2.043 14.457 1.00 55.52 C ATOM 1315 NE2 HIS A 81 0.656 1.085 13.821 1.00 63.25 N ATOM 0 H HIS A 81 -2.598 0.381 17.327 1.00 33.11 H new ATOM 0 HA HIS A 81 -1.637 -1.862 15.784 1.00 70.43 H new ATOM 0 HB2 HIS A 81 -0.420 0.051 17.805 1.00 43.11 H new ATOM 0 HB3 HIS A 81 0.491 -1.277 17.114 1.00 43.11 H new ATOM 0 HD2 HIS A 81 1.102 -0.996 14.341 1.00 75.02 H new ATOM 0 HE1 HIS A 81 -0.145 3.047 14.092 1.00 55.52 H new ATOM 0 HE2 HIS A 81 1.085 1.171 12.900 1.00 63.25 H new ATOM 1324 N HIS A 82 -2.900 -3.020 18.016 1.00 74.23 N ATOM 1325 CA HIS A 82 -3.144 -4.164 18.879 1.00 65.32 C ATOM 1326 C HIS A 82 -4.386 -4.899 18.380 1.00 52.13 C ATOM 1327 O HIS A 82 -4.547 -6.099 18.595 1.00 53.41 O ATOM 1328 CB HIS A 82 -3.324 -3.724 20.337 1.00 21.22 C ATOM 1329 CG HIS A 82 -3.408 -4.869 21.303 1.00 73.21 C ATOM 1330 ND1 HIS A 82 -2.298 -5.493 21.825 1.00 73.53 N ATOM 1331 CD2 HIS A 82 -4.478 -5.501 21.840 1.00 60.12 C ATOM 1332 CE1 HIS A 82 -2.679 -6.463 22.635 1.00 64.43 C ATOM 1333 NE2 HIS A 82 -3.997 -6.489 22.663 1.00 21.14 N ATOM 0 H HIS A 82 -3.745 -2.642 17.588 1.00 74.23 H new ATOM 0 HA HIS A 82 -2.284 -4.832 18.845 1.00 65.32 H new ATOM 0 HB2 HIS A 82 -2.490 -3.081 20.620 1.00 21.22 H new ATOM 0 HB3 HIS A 82 -4.230 -3.124 20.418 1.00 21.22 H new ATOM 0 HD2 HIS A 82 -5.517 -5.271 21.655 1.00 60.12 H new ATOM 0 HE1 HIS A 82 -2.023 -7.123 23.182 1.00 64.43 H new ATOM 0 HE2 HIS A 82 -4.566 -7.137 23.207 1.00 21.14 H new ATOM 1342 N HIS A 83 -5.261 -4.156 17.697 1.00 63.14 N ATOM 1343 CA HIS A 83 -6.432 -4.733 17.044 1.00 45.20 C ATOM 1344 C HIS A 83 -5.975 -5.632 15.901 1.00 4.11 C ATOM 1345 O HIS A 83 -6.647 -6.596 15.541 1.00 74.34 O ATOM 1346 CB HIS A 83 -7.339 -3.621 16.500 1.00 73.54 C ATOM 1347 CG HIS A 83 -8.738 -4.060 16.163 1.00 71.42 C ATOM 1348 ND1 HIS A 83 -9.032 -5.172 15.397 1.00 25.21 N ATOM 1349 CD2 HIS A 83 -9.933 -3.516 16.497 1.00 65.30 C ATOM 1350 CE1 HIS A 83 -10.341 -5.286 15.274 1.00 62.44 C ATOM 1351 NE2 HIS A 83 -10.909 -4.295 15.931 1.00 73.11 N ATOM 0 H HIS A 83 -5.176 -3.146 17.583 1.00 63.14 H new ATOM 0 HA HIS A 83 -6.996 -5.319 17.770 1.00 45.20 H new ATOM 0 HB2 HIS A 83 -7.392 -2.820 17.238 1.00 73.54 H new ATOM 0 HB3 HIS A 83 -6.879 -3.201 15.606 1.00 73.54 H new ATOM 0 HD1 HIS A 83 -8.344 -5.806 14.990 1.00 25.21 H new ATOM 0 HD2 HIS A 83 -10.088 -2.632 17.098 1.00 65.30 H new ATOM 0 HE1 HIS A 83 -10.859 -6.060 14.727 1.00 62.44 H new ATOM 1360 N HIS A 84 -4.832 -5.286 15.323 1.00 4.22 N ATOM 1361 CA HIS A 84 -4.217 -6.106 14.295 1.00 50.25 C ATOM 1362 C HIS A 84 -3.451 -7.239 14.960 1.00 5.32 C ATOM 1363 O HIS A 84 -2.336 -7.048 15.449 1.00 73.13 O ATOM 1364 CB HIS A 84 -3.283 -5.264 13.431 1.00 32.51 C ATOM 1365 CG HIS A 84 -3.522 -5.432 11.964 1.00 61.50 C ATOM 1366 ND1 HIS A 84 -2.550 -5.846 11.081 1.00 72.23 N ATOM 1367 CD2 HIS A 84 -4.634 -5.214 11.221 1.00 35.41 C ATOM 1368 CE1 HIS A 84 -3.053 -5.875 9.862 1.00 15.45 C ATOM 1369 NE2 HIS A 84 -4.311 -5.496 9.921 1.00 13.02 N ATOM 0 H HIS A 84 -4.312 -4.439 15.552 1.00 4.22 H new ATOM 0 HA HIS A 84 -4.990 -6.521 13.648 1.00 50.25 H new ATOM 0 HB2 HIS A 84 -3.405 -4.213 13.694 1.00 32.51 H new ATOM 0 HB3 HIS A 84 -2.251 -5.531 13.657 1.00 32.51 H new ATOM 0 HD2 HIS A 84 -5.594 -4.881 11.586 1.00 35.41 H new ATOM 0 HE1 HIS A 84 -2.522 -6.162 8.967 1.00 15.45 H new ATOM 0 HE2 HIS A 84 -4.945 -5.424 9.125 1.00 13.02 H new ATOM 1378 N HIS A 85 -4.069 -8.406 14.992 1.00 0.51 N ATOM 1379 CA HIS A 85 -3.565 -9.517 15.788 1.00 44.04 C ATOM 1380 C HIS A 85 -2.946 -10.610 14.926 1.00 20.05 C ATOM 1381 O HIS A 85 -1.907 -11.168 15.285 1.00 21.04 O ATOM 1382 CB HIS A 85 -4.711 -10.099 16.625 1.00 65.53 C ATOM 1383 CG HIS A 85 -4.336 -11.307 17.428 1.00 65.41 C ATOM 1384 ND1 HIS A 85 -4.355 -12.586 16.916 1.00 75.31 N ATOM 1385 CD2 HIS A 85 -3.930 -11.426 18.714 1.00 65.52 C ATOM 1386 CE1 HIS A 85 -3.982 -13.436 17.849 1.00 61.12 C ATOM 1387 NE2 HIS A 85 -3.716 -12.760 18.951 1.00 73.10 N ATOM 0 H HIS A 85 -4.924 -8.612 14.475 1.00 0.51 H new ATOM 0 HA HIS A 85 -2.778 -9.134 16.437 1.00 44.04 H new ATOM 0 HB2 HIS A 85 -5.080 -9.328 17.301 1.00 65.53 H new ATOM 0 HB3 HIS A 85 -5.535 -10.360 15.960 1.00 65.53 H new ATOM 0 HD1 HIS A 85 -4.617 -12.835 15.962 1.00 75.31 H new ATOM 0 HD2 HIS A 85 -3.799 -10.621 19.422 1.00 65.52 H new ATOM 0 HE1 HIS A 85 -3.906 -14.507 17.732 1.00 61.12 H new ATOM 1396 N HIS A 86 -3.586 -10.905 13.798 1.00 21.35 N ATOM 1397 CA HIS A 86 -3.270 -12.097 13.011 1.00 55.31 C ATOM 1398 C HIS A 86 -3.538 -13.335 13.854 1.00 21.20 C ATOM 1399 O HIS A 86 -2.606 -14.137 14.053 1.00 38.64 O ATOM 1400 CB HIS A 86 -1.808 -12.109 12.534 1.00 23.45 C ATOM 1401 CG HIS A 86 -1.538 -11.261 11.331 1.00 51.52 C ATOM 1402 ND1 HIS A 86 -1.216 -11.788 10.098 1.00 61.05 N ATOM 1403 CD2 HIS A 86 -1.497 -9.917 11.184 1.00 13.23 C ATOM 1404 CE1 HIS A 86 -0.990 -10.807 9.246 1.00 71.24 C ATOM 1405 NE2 HIS A 86 -1.154 -9.660 9.879 1.00 54.02 N ATOM 1406 OXT HIS A 86 -4.668 -13.463 14.374 1.00 38.64 O ATOM 0 H HIS A 86 -4.332 -10.331 13.405 1.00 21.35 H new ATOM 0 HA HIS A 86 -3.904 -12.089 12.124 1.00 55.31 H new ATOM 0 HB2 HIS A 86 -1.170 -11.771 13.351 1.00 23.45 H new ATOM 0 HB3 HIS A 86 -1.521 -13.136 12.310 1.00 23.45 H new ATOM 0 HD2 HIS A 86 -1.697 -9.183 11.950 1.00 13.23 H new ATOM 0 HE1 HIS A 86 -0.717 -10.922 8.207 1.00 71.24 H new ATOM 0 HE2 HIS A 86 -1.044 -8.734 9.466 1.00 54.02 H new TER 1415 HIS A 86