USER MOD reduce.3.24.130724 H: found=0, std=0, add=698, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 697 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 7 THR OG1 : rot -39:sc= 0.352 USER MOD Set 1.2: A 91 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 13 ASN : amide:sc= -0.158 X(o=-0.46,f=-0.67) USER MOD Set 2.2: A 16 HIS : no HD1:sc= -0.306 X(o=-0.46,f=-0.67) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.0115 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot -15:sc= 0.883 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 154:sc= -0.0201 (180deg=-0.727) USER MOD Single : A 23 TYR OH : rot 124:sc= 0.302 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS : no HD1:sc= -0.219 X(o=-0.22,f=-0.37) USER MOD Single : A 38 SER OG : rot 74:sc= 0.974 USER MOD Single : A 44 MET CE :methyl -142:sc= -5.58 (180deg=-9.31!) USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.189 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.0186 USER MOD Single : A 56 SER OG : rot 180:sc= -0.375 USER MOD Single : A 61 GLN : amide:sc= -1.43 K(o=-1.4,f=-0.26) USER MOD Single : A 65 ASN : amide:sc= -1.38 K(o=-1.4,f=-0.45) USER MOD Single : A 70 THR OG1 : rot 145:sc= 0.392 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 MET CE :methyl 150:sc= -0.275 (180deg=-1.05) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -1.31 K(o=-1.3,f=-3.3!) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 TYR OH : rot 158:sc= -0.319! USER MOD ----------------------------------------------------------------- ATOM 33 N LYS A 3 1.100 19.071 27.835 1.00 0.00 N ATOM 34 CA LYS A 3 1.856 18.125 28.650 1.00 0.00 C ATOM 35 C LYS A 3 3.252 18.667 28.928 1.00 0.00 C ATOM 36 O LYS A 3 4.168 18.491 28.124 1.00 0.00 O ATOM 37 CB LYS A 3 1.954 16.780 27.937 1.00 0.00 C ATOM 38 CG LYS A 3 2.579 15.718 28.838 1.00 0.00 C ATOM 39 CD LYS A 3 3.587 14.866 28.071 1.00 0.00 C ATOM 40 CE LYS A 3 3.221 13.385 28.131 1.00 0.00 C ATOM 41 NZ LYS A 3 4.162 12.560 27.321 1.00 0.00 N ATOM 0 HA LYS A 3 1.336 17.988 29.598 1.00 0.00 H new ATOM 0 HB2 LYS A 3 0.960 16.457 27.627 1.00 0.00 H new ATOM 0 HB3 LYS A 3 2.551 16.889 27.032 1.00 0.00 H new ATOM 0 HG2 LYS A 3 3.073 16.199 29.682 1.00 0.00 H new ATOM 0 HG3 LYS A 3 1.797 15.079 29.248 1.00 0.00 H new ATOM 0 HD2 LYS A 3 3.625 15.192 27.031 1.00 0.00 H new ATOM 0 HD3 LYS A 3 4.583 15.014 28.488 1.00 0.00 H new ATOM 0 HE2 LYS A 3 3.237 13.046 29.167 1.00 0.00 H new ATOM 0 HE3 LYS A 3 2.204 13.245 27.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 3.887 11.559 27.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 4.128 12.869 26.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 5.129 12.676 27.687 1.00 0.00 H new ATOM 55 N VAL A 4 3.407 19.329 30.068 1.00 0.00 N ATOM 56 CA VAL A 4 4.691 19.902 30.454 1.00 0.00 C ATOM 57 C VAL A 4 5.598 18.830 31.044 1.00 0.00 C ATOM 58 O VAL A 4 5.227 17.658 31.116 1.00 0.00 O ATOM 59 CB VAL A 4 4.474 21.014 31.474 1.00 0.00 C ATOM 60 CG1 VAL A 4 3.673 22.158 30.859 1.00 0.00 C ATOM 61 CG2 VAL A 4 3.769 20.473 32.715 1.00 0.00 C ATOM 0 H VAL A 4 2.658 19.483 30.743 1.00 0.00 H new ATOM 0 HA VAL A 4 5.170 20.314 29.566 1.00 0.00 H new ATOM 0 HB VAL A 4 5.449 21.400 31.773 1.00 0.00 H new ATOM 0 HG11 VAL A 4 3.529 22.942 31.603 1.00 0.00 H new ATOM 0 HG12 VAL A 4 4.215 22.564 30.005 1.00 0.00 H new ATOM 0 HG13 VAL A 4 2.702 21.787 30.530 1.00 0.00 H new ATOM 0 HG21 VAL A 4 3.623 21.281 33.432 1.00 0.00 H new ATOM 0 HG22 VAL A 4 2.801 20.059 32.432 1.00 0.00 H new ATOM 0 HG23 VAL A 4 4.379 19.692 33.169 1.00 0.00 H new ATOM 71 N THR A 5 6.788 19.242 31.467 1.00 0.00 N ATOM 72 CA THR A 5 7.755 18.322 32.056 1.00 0.00 C ATOM 73 C THR A 5 8.926 19.096 32.648 1.00 0.00 C ATOM 74 O THR A 5 9.395 20.073 32.063 1.00 0.00 O ATOM 75 CB THR A 5 8.260 17.344 31.000 1.00 0.00 C ATOM 76 OG1 THR A 5 8.153 17.924 29.709 1.00 0.00 O ATOM 77 CG2 THR A 5 7.474 16.037 31.054 1.00 0.00 C ATOM 0 H THR A 5 7.107 20.209 31.413 1.00 0.00 H new ATOM 0 HA THR A 5 7.263 17.762 32.852 1.00 0.00 H new ATOM 0 HB THR A 5 9.307 17.124 31.207 1.00 0.00 H new ATOM 0 HG1 THR A 5 8.481 17.290 29.037 1.00 0.00 H new ATOM 0 HG21 THR A 5 7.851 15.354 30.292 1.00 0.00 H new ATOM 0 HG22 THR A 5 7.590 15.583 32.038 1.00 0.00 H new ATOM 0 HG23 THR A 5 6.419 16.239 30.870 1.00 0.00 H new ATOM 85 N PHE A 6 9.392 18.657 33.811 1.00 0.00 N ATOM 86 CA PHE A 6 10.507 19.312 34.485 1.00 0.00 C ATOM 87 C PHE A 6 11.719 18.392 34.527 1.00 0.00 C ATOM 88 O PHE A 6 11.620 17.205 34.218 1.00 0.00 O ATOM 89 CB PHE A 6 10.097 19.706 35.899 1.00 0.00 C ATOM 90 CG PHE A 6 8.904 20.627 35.921 1.00 0.00 C ATOM 91 CD1 PHE A 6 7.639 20.131 35.650 1.00 0.00 C ATOM 92 CD2 PHE A 6 9.073 21.971 36.208 1.00 0.00 C ATOM 93 CE1 PHE A 6 6.544 20.978 35.667 1.00 0.00 C ATOM 94 CE2 PHE A 6 7.977 22.819 36.225 1.00 0.00 C ATOM 95 CZ PHE A 6 6.713 22.322 35.955 1.00 0.00 C ATOM 0 H PHE A 6 9.015 17.850 34.307 1.00 0.00 H new ATOM 0 HA PHE A 6 10.775 20.210 33.928 1.00 0.00 H new ATOM 0 HB2 PHE A 6 9.868 18.807 36.471 1.00 0.00 H new ATOM 0 HB3 PHE A 6 10.937 20.193 36.394 1.00 0.00 H new ATOM 0 HD1 PHE A 6 7.507 19.083 35.425 1.00 0.00 H new ATOM 0 HD2 PHE A 6 10.059 22.358 36.419 1.00 0.00 H new ATOM 0 HE1 PHE A 6 5.558 20.591 35.456 1.00 0.00 H new ATOM 0 HE2 PHE A 6 8.109 23.867 36.449 1.00 0.00 H new ATOM 0 HZ PHE A 6 5.859 22.983 35.969 1.00 0.00 H new ATOM 105 N THR A 7 12.865 18.948 34.908 1.00 0.00 N ATOM 106 CA THR A 7 14.100 18.177 34.989 1.00 0.00 C ATOM 107 C THR A 7 15.154 18.945 35.775 1.00 0.00 C ATOM 108 O THR A 7 15.563 20.038 35.382 1.00 0.00 O ATOM 109 CB THR A 7 14.619 17.873 33.586 1.00 0.00 C ATOM 110 OG1 THR A 7 13.573 17.345 32.785 1.00 0.00 O ATOM 111 CG2 THR A 7 15.784 16.889 33.641 1.00 0.00 C ATOM 0 H THR A 7 12.964 19.930 35.165 1.00 0.00 H new ATOM 0 HA THR A 7 13.892 17.239 35.504 1.00 0.00 H new ATOM 0 HB THR A 7 14.975 18.802 33.142 1.00 0.00 H new ATOM 0 HG1 THR A 7 13.019 16.743 33.325 1.00 0.00 H new ATOM 0 HG21 THR A 7 16.138 16.687 32.630 1.00 0.00 H new ATOM 0 HG22 THR A 7 16.595 17.318 34.230 1.00 0.00 H new ATOM 0 HG23 THR A 7 15.453 15.959 34.102 1.00 0.00 H new ATOM 119 N VAL A 8 15.590 18.365 36.886 1.00 0.00 N ATOM 120 CA VAL A 8 16.599 18.989 37.734 1.00 0.00 C ATOM 121 C VAL A 8 17.900 19.170 36.963 1.00 0.00 C ATOM 122 O VAL A 8 18.655 18.218 36.768 1.00 0.00 O ATOM 123 CB VAL A 8 16.838 18.126 38.968 1.00 0.00 C ATOM 124 CG1 VAL A 8 17.891 18.758 39.873 1.00 0.00 C ATOM 125 CG2 VAL A 8 15.531 17.916 39.729 1.00 0.00 C ATOM 0 H VAL A 8 15.260 17.460 37.222 1.00 0.00 H new ATOM 0 HA VAL A 8 16.241 19.970 38.046 1.00 0.00 H new ATOM 0 HB VAL A 8 17.210 17.154 38.643 1.00 0.00 H new ATOM 0 HG11 VAL A 8 18.046 18.126 40.747 1.00 0.00 H new ATOM 0 HG12 VAL A 8 18.829 18.857 39.326 1.00 0.00 H new ATOM 0 HG13 VAL A 8 17.552 19.743 40.193 1.00 0.00 H new ATOM 0 HG21 VAL A 8 15.717 17.298 40.608 1.00 0.00 H new ATOM 0 HG22 VAL A 8 15.133 18.881 40.042 1.00 0.00 H new ATOM 0 HG23 VAL A 8 14.809 17.418 39.082 1.00 0.00 H new ATOM 135 N GLU A 9 18.154 20.398 36.525 1.00 0.00 N ATOM 136 CA GLU A 9 19.364 20.709 35.770 1.00 0.00 C ATOM 137 C GLU A 9 20.590 20.634 36.672 1.00 0.00 C ATOM 138 O GLU A 9 20.473 20.436 37.881 1.00 0.00 O ATOM 139 CB GLU A 9 19.249 22.103 35.160 1.00 0.00 C ATOM 140 CG GLU A 9 18.434 22.075 33.870 1.00 0.00 C ATOM 141 CD GLU A 9 19.352 22.225 32.664 1.00 0.00 C ATOM 142 OE1 GLU A 9 19.836 23.350 32.420 1.00 0.00 O ATOM 143 OE2 GLU A 9 19.586 21.217 31.965 1.00 0.00 O ATOM 0 H GLU A 9 17.538 21.196 36.680 1.00 0.00 H new ATOM 0 HA GLU A 9 19.476 19.976 34.971 1.00 0.00 H new ATOM 0 HB2 GLU A 9 18.780 22.778 35.875 1.00 0.00 H new ATOM 0 HB3 GLU A 9 20.245 22.497 34.956 1.00 0.00 H new ATOM 0 HG2 GLU A 9 17.881 21.138 33.801 1.00 0.00 H new ATOM 0 HG3 GLU A 9 17.698 22.879 33.879 1.00 0.00 H new ATOM 150 N LYS A 10 21.768 20.790 36.075 1.00 0.00 N ATOM 151 CA LYS A 10 23.021 20.736 36.822 1.00 0.00 C ATOM 152 C LYS A 10 23.321 22.085 37.461 1.00 0.00 C ATOM 153 O LYS A 10 24.309 22.738 37.123 1.00 0.00 O ATOM 154 CB LYS A 10 24.164 20.339 35.892 1.00 0.00 C ATOM 155 CG LYS A 10 24.083 18.862 35.517 1.00 0.00 C ATOM 156 CD LYS A 10 25.419 18.159 35.745 1.00 0.00 C ATOM 157 CE LYS A 10 25.221 16.793 36.397 1.00 0.00 C ATOM 158 NZ LYS A 10 26.231 16.552 37.466 1.00 0.00 N ATOM 0 H LYS A 10 21.881 20.955 35.075 1.00 0.00 H new ATOM 0 HA LYS A 10 22.922 19.990 37.611 1.00 0.00 H new ATOM 0 HB2 LYS A 10 24.130 20.949 34.989 1.00 0.00 H new ATOM 0 HB3 LYS A 10 25.119 20.542 36.378 1.00 0.00 H new ATOM 0 HG2 LYS A 10 23.308 18.376 36.109 1.00 0.00 H new ATOM 0 HG3 LYS A 10 23.792 18.765 34.471 1.00 0.00 H new ATOM 0 HD2 LYS A 10 25.937 18.039 34.793 1.00 0.00 H new ATOM 0 HD3 LYS A 10 26.055 18.778 36.378 1.00 0.00 H new ATOM 0 HE2 LYS A 10 24.218 16.732 36.820 1.00 0.00 H new ATOM 0 HE3 LYS A 10 25.296 16.012 35.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 26.071 15.616 37.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 27.186 16.587 37.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 26.142 17.284 38.199 1.00 0.00 H new ATOM 172 N GLY A 11 22.465 22.497 38.389 1.00 0.00 N ATOM 173 CA GLY A 11 22.638 23.769 39.082 1.00 0.00 C ATOM 174 C GLY A 11 21.924 23.744 40.426 1.00 0.00 C ATOM 175 O GLY A 11 21.410 24.763 40.887 1.00 0.00 O ATOM 0 H GLY A 11 21.643 21.968 38.680 1.00 0.00 H new ATOM 0 HA2 GLY A 11 23.699 23.968 39.231 1.00 0.00 H new ATOM 0 HA3 GLY A 11 22.245 24.580 38.469 1.00 0.00 H new ATOM 179 N SER A 12 21.892 22.571 41.049 1.00 0.00 N ATOM 180 CA SER A 12 21.236 22.404 42.341 1.00 0.00 C ATOM 181 C SER A 12 22.216 22.665 43.477 1.00 0.00 C ATOM 182 O SER A 12 23.184 21.927 43.658 1.00 0.00 O ATOM 183 CB SER A 12 20.674 20.991 42.455 1.00 0.00 C ATOM 184 OG SER A 12 21.674 20.093 42.911 1.00 0.00 O ATOM 0 H SER A 12 22.314 21.719 40.679 1.00 0.00 H new ATOM 0 HA SER A 12 20.421 23.124 42.414 1.00 0.00 H new ATOM 0 HB2 SER A 12 19.829 20.984 43.144 1.00 0.00 H new ATOM 0 HB3 SER A 12 20.298 20.664 41.486 1.00 0.00 H new ATOM 0 HG SER A 12 22.555 20.513 42.823 1.00 0.00 H new ATOM 190 N ASN A 13 21.954 23.717 44.244 1.00 0.00 N ATOM 191 CA ASN A 13 22.806 24.078 45.372 1.00 0.00 C ATOM 192 C ASN A 13 22.132 23.680 46.681 1.00 0.00 C ATOM 193 O ASN A 13 21.288 22.784 46.701 1.00 0.00 O ATOM 194 CB ASN A 13 23.084 25.580 45.353 1.00 0.00 C ATOM 195 CG ASN A 13 23.446 26.034 43.945 1.00 0.00 C ATOM 196 OD1 ASN A 13 24.043 25.282 43.174 1.00 0.00 O ATOM 197 ND2 ASN A 13 23.086 27.267 43.608 1.00 0.00 N ATOM 0 H ASN A 13 21.156 24.337 44.105 1.00 0.00 H new ATOM 0 HA ASN A 13 23.753 23.545 45.290 1.00 0.00 H new ATOM 0 HB2 ASN A 13 22.206 26.123 45.703 1.00 0.00 H new ATOM 0 HB3 ASN A 13 23.898 25.814 46.038 1.00 0.00 H new ATOM 0 HD21 ASN A 13 23.303 27.625 42.678 1.00 0.00 H new ATOM 0 HD22 ASN A 13 22.593 27.856 44.279 1.00 0.00 H new ATOM 204 N GLU A 14 22.503 24.345 47.775 1.00 0.00 N ATOM 205 CA GLU A 14 21.927 24.053 49.086 1.00 0.00 C ATOM 206 C GLU A 14 20.408 23.941 48.997 1.00 0.00 C ATOM 207 O GLU A 14 19.838 22.878 49.243 1.00 0.00 O ATOM 208 CB GLU A 14 22.306 25.152 50.074 1.00 0.00 C ATOM 209 CG GLU A 14 22.256 24.645 51.512 1.00 0.00 C ATOM 210 CD GLU A 14 22.468 25.797 52.485 1.00 0.00 C ATOM 211 OE1 GLU A 14 23.452 26.546 52.316 1.00 0.00 O ATOM 212 OE2 GLU A 14 21.648 25.948 53.415 1.00 0.00 O ATOM 0 H GLU A 14 23.200 25.090 47.779 1.00 0.00 H new ATOM 0 HA GLU A 14 22.325 23.099 49.433 1.00 0.00 H new ATOM 0 HB2 GLU A 14 23.308 25.516 49.849 1.00 0.00 H new ATOM 0 HB3 GLU A 14 21.627 25.997 49.960 1.00 0.00 H new ATOM 0 HG2 GLU A 14 21.294 24.170 51.704 1.00 0.00 H new ATOM 0 HG3 GLU A 14 23.023 23.885 51.664 1.00 0.00 H new ATOM 219 N LYS A 15 19.759 25.046 48.644 1.00 0.00 N ATOM 220 CA LYS A 15 18.304 25.076 48.522 1.00 0.00 C ATOM 221 C LYS A 15 17.884 25.325 47.077 1.00 0.00 C ATOM 222 O LYS A 15 16.767 24.991 46.682 1.00 0.00 O ATOM 223 CB LYS A 15 17.733 26.168 49.421 1.00 0.00 C ATOM 224 CG LYS A 15 18.382 27.518 49.130 1.00 0.00 C ATOM 225 CD LYS A 15 19.466 27.841 50.153 1.00 0.00 C ATOM 226 CE LYS A 15 19.026 28.962 51.089 1.00 0.00 C ATOM 227 NZ LYS A 15 19.373 30.301 50.532 1.00 0.00 N ATOM 0 H LYS A 15 20.217 25.934 48.437 1.00 0.00 H new ATOM 0 HA LYS A 15 17.913 24.107 48.832 1.00 0.00 H new ATOM 0 HB2 LYS A 15 16.656 26.240 49.271 1.00 0.00 H new ATOM 0 HB3 LYS A 15 17.893 25.903 50.466 1.00 0.00 H new ATOM 0 HG2 LYS A 15 18.814 27.509 48.129 1.00 0.00 H new ATOM 0 HG3 LYS A 15 17.622 28.300 49.142 1.00 0.00 H new ATOM 0 HD2 LYS A 15 19.698 26.949 50.734 1.00 0.00 H new ATOM 0 HD3 LYS A 15 20.381 28.133 49.637 1.00 0.00 H new ATOM 0 HE2 LYS A 15 17.950 28.901 51.252 1.00 0.00 H new ATOM 0 HE3 LYS A 15 19.503 28.835 52.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 19.061 31.043 51.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 20.403 30.366 50.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 18.898 30.430 49.616 1.00 0.00 H new ATOM 241 N HIS A 16 18.779 25.919 46.291 1.00 0.00 N ATOM 242 CA HIS A 16 18.494 26.218 44.890 1.00 0.00 C ATOM 243 C HIS A 16 17.921 24.998 44.180 1.00 0.00 C ATOM 244 O HIS A 16 18.409 23.880 44.348 1.00 0.00 O ATOM 245 CB HIS A 16 19.768 26.673 44.184 1.00 0.00 C ATOM 246 CG HIS A 16 20.040 28.135 44.359 1.00 0.00 C ATOM 247 ND1 HIS A 16 20.647 28.659 45.471 1.00 0.00 N ATOM 248 CD2 HIS A 16 19.788 29.204 43.561 1.00 0.00 C ATOM 249 CE1 HIS A 16 20.765 29.963 45.372 1.00 0.00 C ATOM 250 NE2 HIS A 16 20.248 30.334 44.213 1.00 0.00 N ATOM 0 H HIS A 16 19.708 26.203 46.601 1.00 0.00 H new ATOM 0 HA HIS A 16 17.754 27.018 44.856 1.00 0.00 H new ATOM 0 HB2 HIS A 16 20.614 26.103 44.568 1.00 0.00 H new ATOM 0 HB3 HIS A 16 19.688 26.448 43.120 1.00 0.00 H new ATOM 0 HD2 HIS A 16 19.314 29.177 42.591 1.00 0.00 H new ATOM 0 HE1 HIS A 16 21.207 30.618 46.108 1.00 0.00 H new ATOM 0 HE2 HIS A 16 20.197 31.290 43.860 1.00 0.00 H new ATOM 258 N LEU A 17 16.886 25.225 43.379 1.00 0.00 N ATOM 259 CA LEU A 17 16.241 24.153 42.629 1.00 0.00 C ATOM 260 C LEU A 17 16.131 24.548 41.164 1.00 0.00 C ATOM 261 O LEU A 17 15.199 25.245 40.765 1.00 0.00 O ATOM 262 CB LEU A 17 14.854 23.869 43.209 1.00 0.00 C ATOM 263 CG LEU A 17 14.613 22.372 43.428 1.00 0.00 C ATOM 264 CD1 LEU A 17 14.392 21.662 42.096 1.00 0.00 C ATOM 265 CD2 LEU A 17 15.773 21.734 44.190 1.00 0.00 C ATOM 0 H LEU A 17 16.474 26.146 43.232 1.00 0.00 H new ATOM 0 HA LEU A 17 16.842 23.247 42.707 1.00 0.00 H new ATOM 0 HB2 LEU A 17 14.744 24.395 44.157 1.00 0.00 H new ATOM 0 HB3 LEU A 17 14.093 24.263 42.535 1.00 0.00 H new ATOM 0 HG LEU A 17 13.712 22.262 44.032 1.00 0.00 H new ATOM 0 HD11 LEU A 17 14.223 20.600 42.273 1.00 0.00 H new ATOM 0 HD12 LEU A 17 13.523 22.089 41.596 1.00 0.00 H new ATOM 0 HD13 LEU A 17 15.272 21.789 41.466 1.00 0.00 H new ATOM 0 HD21 LEU A 17 15.575 20.671 44.331 1.00 0.00 H new ATOM 0 HD22 LEU A 17 16.694 21.859 43.621 1.00 0.00 H new ATOM 0 HD23 LEU A 17 15.878 22.216 45.162 1.00 0.00 H new ATOM 277 N ALA A 18 17.098 24.102 40.371 1.00 0.00 N ATOM 278 CA ALA A 18 17.128 24.412 38.944 1.00 0.00 C ATOM 279 C ALA A 18 16.389 23.347 38.147 1.00 0.00 C ATOM 280 O ALA A 18 16.657 22.153 38.287 1.00 0.00 O ATOM 281 CB ALA A 18 18.574 24.507 38.464 1.00 0.00 C ATOM 0 H ALA A 18 17.874 23.523 40.692 1.00 0.00 H new ATOM 0 HA ALA A 18 16.631 25.369 38.788 1.00 0.00 H new ATOM 0 HB1 ALA A 18 18.589 24.738 37.399 1.00 0.00 H new ATOM 0 HB2 ALA A 18 19.089 25.295 39.014 1.00 0.00 H new ATOM 0 HB3 ALA A 18 19.078 23.556 38.636 1.00 0.00 H new ATOM 287 N VAL A 19 15.461 23.786 37.303 1.00 0.00 N ATOM 288 CA VAL A 19 14.684 22.872 36.472 1.00 0.00 C ATOM 289 C VAL A 19 14.619 23.388 35.043 1.00 0.00 C ATOM 290 O VAL A 19 14.361 24.568 34.809 1.00 0.00 O ATOM 291 CB VAL A 19 13.273 22.719 37.029 1.00 0.00 C ATOM 292 CG1 VAL A 19 13.293 21.931 38.336 1.00 0.00 C ATOM 293 CG2 VAL A 19 12.627 24.085 37.235 1.00 0.00 C ATOM 0 H VAL A 19 15.228 24.771 37.176 1.00 0.00 H new ATOM 0 HA VAL A 19 15.174 21.898 36.478 1.00 0.00 H new ATOM 0 HB VAL A 19 12.677 22.164 36.305 1.00 0.00 H new ATOM 0 HG11 VAL A 19 12.277 21.833 38.717 1.00 0.00 H new ATOM 0 HG12 VAL A 19 13.711 20.940 38.157 1.00 0.00 H new ATOM 0 HG13 VAL A 19 13.906 22.456 39.068 1.00 0.00 H new ATOM 0 HG21 VAL A 19 11.621 23.955 37.633 1.00 0.00 H new ATOM 0 HG22 VAL A 19 13.223 24.667 37.938 1.00 0.00 H new ATOM 0 HG23 VAL A 19 12.575 24.610 36.281 1.00 0.00 H new ATOM 303 N LEU A 20 14.852 22.497 34.088 1.00 0.00 N ATOM 304 CA LEU A 20 14.821 22.863 32.677 1.00 0.00 C ATOM 305 C LEU A 20 13.391 22.832 32.152 1.00 0.00 C ATOM 306 O LEU A 20 13.017 21.946 31.384 1.00 0.00 O ATOM 307 CB LEU A 20 15.701 21.910 31.872 1.00 0.00 C ATOM 308 CG LEU A 20 16.635 22.679 30.941 1.00 0.00 C ATOM 309 CD1 LEU A 20 17.528 21.718 30.162 1.00 0.00 C ATOM 310 CD2 LEU A 20 15.833 23.558 29.985 1.00 0.00 C ATOM 0 H LEU A 20 15.065 21.515 34.264 1.00 0.00 H new ATOM 0 HA LEU A 20 15.207 23.877 32.568 1.00 0.00 H new ATOM 0 HB2 LEU A 20 16.288 21.291 32.551 1.00 0.00 H new ATOM 0 HB3 LEU A 20 15.074 21.237 31.288 1.00 0.00 H new ATOM 0 HG LEU A 20 17.271 23.322 31.549 1.00 0.00 H new ATOM 0 HD11 LEU A 20 18.186 22.285 29.504 1.00 0.00 H new ATOM 0 HD12 LEU A 20 18.128 21.133 30.859 1.00 0.00 H new ATOM 0 HD13 LEU A 20 16.909 21.048 29.566 1.00 0.00 H new ATOM 0 HD21 LEU A 20 16.515 24.099 29.329 1.00 0.00 H new ATOM 0 HD22 LEU A 20 15.171 22.933 29.385 1.00 0.00 H new ATOM 0 HD23 LEU A 20 15.239 24.271 30.557 1.00 0.00 H new ATOM 322 N VAL A 21 12.592 23.809 32.571 1.00 0.00 N ATOM 323 CA VAL A 21 11.200 23.897 32.142 1.00 0.00 C ATOM 324 C VAL A 21 11.124 24.300 30.676 1.00 0.00 C ATOM 325 O VAL A 21 11.166 25.485 30.345 1.00 0.00 O ATOM 326 CB VAL A 21 10.453 24.915 32.999 1.00 0.00 C ATOM 327 CG1 VAL A 21 8.988 24.991 32.581 1.00 0.00 C ATOM 328 CG2 VAL A 21 10.571 24.561 34.479 1.00 0.00 C ATOM 0 H VAL A 21 12.885 24.551 33.207 1.00 0.00 H new ATOM 0 HA VAL A 21 10.735 22.919 32.263 1.00 0.00 H new ATOM 0 HB VAL A 21 10.907 25.894 32.844 1.00 0.00 H new ATOM 0 HG11 VAL A 21 8.470 25.722 33.202 1.00 0.00 H new ATOM 0 HG12 VAL A 21 8.923 25.292 31.536 1.00 0.00 H new ATOM 0 HG13 VAL A 21 8.523 24.013 32.706 1.00 0.00 H new ATOM 0 HG21 VAL A 21 10.032 25.299 35.074 1.00 0.00 H new ATOM 0 HG22 VAL A 21 10.144 23.573 34.652 1.00 0.00 H new ATOM 0 HG23 VAL A 21 11.621 24.558 34.770 1.00 0.00 H new ATOM 338 N LYS A 22 11.013 23.307 29.800 1.00 0.00 N ATOM 339 CA LYS A 22 10.932 23.558 28.365 1.00 0.00 C ATOM 340 C LYS A 22 9.842 22.699 27.736 1.00 0.00 C ATOM 341 O LYS A 22 9.658 21.541 28.109 1.00 0.00 O ATOM 342 CB LYS A 22 12.275 23.258 27.707 1.00 0.00 C ATOM 343 CG LYS A 22 12.463 24.083 26.437 1.00 0.00 C ATOM 344 CD LYS A 22 13.897 24.590 26.312 1.00 0.00 C ATOM 345 CE LYS A 22 14.330 24.667 24.852 1.00 0.00 C ATOM 346 NZ LYS A 22 13.227 25.170 23.986 1.00 0.00 N ATOM 0 H LYS A 22 10.977 22.321 30.058 1.00 0.00 H new ATOM 0 HA LYS A 22 10.684 24.608 28.208 1.00 0.00 H new ATOM 0 HB2 LYS A 22 13.082 23.474 28.407 1.00 0.00 H new ATOM 0 HB3 LYS A 22 12.336 22.197 27.467 1.00 0.00 H new ATOM 0 HG2 LYS A 22 12.212 23.477 25.567 1.00 0.00 H new ATOM 0 HG3 LYS A 22 11.775 24.929 26.445 1.00 0.00 H new ATOM 0 HD2 LYS A 22 13.978 25.576 26.770 1.00 0.00 H new ATOM 0 HD3 LYS A 22 14.568 23.928 26.859 1.00 0.00 H new ATOM 0 HE2 LYS A 22 15.195 25.324 24.761 1.00 0.00 H new ATOM 0 HE3 LYS A 22 14.642 23.680 24.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 13.629 25.622 23.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 12.621 24.375 23.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 12.661 25.864 24.514 1.00 0.00 H new ATOM 360 N TYR A 23 9.122 23.275 26.779 1.00 0.00 N ATOM 361 CA TYR A 23 8.046 22.564 26.094 1.00 0.00 C ATOM 362 C TYR A 23 7.673 23.282 24.803 1.00 0.00 C ATOM 363 O TYR A 23 7.793 24.503 24.702 1.00 0.00 O ATOM 364 CB TYR A 23 6.818 22.451 27.000 1.00 0.00 C ATOM 365 CG TYR A 23 6.647 23.623 27.932 1.00 0.00 C ATOM 366 CD1 TYR A 23 6.357 24.878 27.426 1.00 0.00 C ATOM 367 CD2 TYR A 23 6.780 23.444 29.298 1.00 0.00 C ATOM 368 CE1 TYR A 23 6.199 25.951 28.286 1.00 0.00 C ATOM 369 CE2 TYR A 23 6.621 24.518 30.156 1.00 0.00 C ATOM 370 CZ TYR A 23 6.332 25.766 29.647 1.00 0.00 C ATOM 371 OH TYR A 23 6.175 26.833 30.502 1.00 0.00 O ATOM 0 H TYR A 23 9.264 24.233 26.459 1.00 0.00 H new ATOM 0 HA TYR A 23 8.398 21.561 25.852 1.00 0.00 H new ATOM 0 HB2 TYR A 23 5.927 22.357 26.380 1.00 0.00 H new ATOM 0 HB3 TYR A 23 6.894 21.537 27.589 1.00 0.00 H new ATOM 0 HD1 TYR A 23 6.254 25.020 26.360 1.00 0.00 H new ATOM 0 HD2 TYR A 23 7.008 22.466 29.694 1.00 0.00 H new ATOM 0 HE1 TYR A 23 5.972 26.931 27.893 1.00 0.00 H new ATOM 0 HE2 TYR A 23 6.723 24.379 31.222 1.00 0.00 H new ATOM 0 HH TYR A 23 5.483 26.623 31.163 1.00 0.00 H new ATOM 381 N GLU A 24 7.221 22.514 23.815 1.00 0.00 N ATOM 382 CA GLU A 24 6.831 23.073 22.524 1.00 0.00 C ATOM 383 C GLU A 24 5.469 23.753 22.619 1.00 0.00 C ATOM 384 O GLU A 24 5.138 24.612 21.802 1.00 0.00 O ATOM 385 CB GLU A 24 6.784 21.968 21.473 1.00 0.00 C ATOM 386 CG GLU A 24 5.867 20.829 21.908 1.00 0.00 C ATOM 387 CD GLU A 24 4.841 20.537 20.821 1.00 0.00 C ATOM 388 OE1 GLU A 24 3.927 21.366 20.626 1.00 0.00 O ATOM 389 OE2 GLU A 24 4.952 19.479 20.166 1.00 0.00 O ATOM 0 H GLU A 24 7.116 21.502 23.884 1.00 0.00 H new ATOM 0 HA GLU A 24 7.571 23.819 22.233 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.434 22.378 20.526 1.00 0.00 H new ATOM 0 HB3 GLU A 24 7.789 21.583 21.301 1.00 0.00 H new ATOM 0 HG2 GLU A 24 6.457 19.935 22.112 1.00 0.00 H new ATOM 0 HG3 GLU A 24 5.360 21.095 22.836 1.00 0.00 H new ATOM 396 N GLY A 25 4.678 23.364 23.618 1.00 0.00 N ATOM 397 CA GLY A 25 3.348 23.937 23.815 1.00 0.00 C ATOM 398 C GLY A 25 3.387 25.458 23.722 1.00 0.00 C ATOM 399 O GLY A 25 2.599 26.066 22.998 1.00 0.00 O ATOM 0 H GLY A 25 4.936 22.654 24.304 1.00 0.00 H new ATOM 0 HA2 GLY A 25 2.663 23.541 23.065 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.961 23.639 24.789 1.00 0.00 H new ATOM 403 N ASP A 26 4.310 26.068 24.459 1.00 0.00 N ATOM 404 CA ASP A 26 4.453 27.520 24.459 1.00 0.00 C ATOM 405 C ASP A 26 5.926 27.906 24.426 1.00 0.00 C ATOM 406 O ASP A 26 6.799 27.048 24.302 1.00 0.00 O ATOM 407 CB ASP A 26 3.784 28.106 25.697 1.00 0.00 C ATOM 408 CG ASP A 26 2.271 27.965 25.591 1.00 0.00 C ATOM 409 OD1 ASP A 26 1.629 28.864 25.010 1.00 0.00 O ATOM 410 OD2 ASP A 26 1.731 26.955 26.089 1.00 0.00 O ATOM 0 H ASP A 26 4.970 25.579 25.064 1.00 0.00 H new ATOM 0 HA ASP A 26 3.969 27.922 23.569 1.00 0.00 H new ATOM 0 HB2 ASP A 26 4.143 27.595 26.590 1.00 0.00 H new ATOM 0 HB3 ASP A 26 4.053 29.157 25.802 1.00 0.00 H new ATOM 415 N THR A 27 6.198 29.203 24.533 1.00 0.00 N ATOM 416 CA THR A 27 7.570 29.701 24.508 1.00 0.00 C ATOM 417 C THR A 27 7.889 30.472 25.783 1.00 0.00 C ATOM 418 O THR A 27 8.323 31.623 25.730 1.00 0.00 O ATOM 419 CB THR A 27 7.774 30.601 23.293 1.00 0.00 C ATOM 420 OG1 THR A 27 7.349 29.930 22.117 1.00 0.00 O ATOM 421 CG2 THR A 27 9.238 31.010 23.162 1.00 0.00 C ATOM 0 H THR A 27 5.488 29.928 24.638 1.00 0.00 H new ATOM 0 HA THR A 27 8.245 28.848 24.443 1.00 0.00 H new ATOM 0 HB THR A 27 7.177 31.503 23.427 1.00 0.00 H new ATOM 0 HG1 THR A 27 7.481 30.514 21.341 1.00 0.00 H new ATOM 0 HG21 THR A 27 9.360 31.651 22.289 1.00 0.00 H new ATOM 0 HG22 THR A 27 9.546 31.552 24.056 1.00 0.00 H new ATOM 0 HG23 THR A 27 9.856 30.119 23.047 1.00 0.00 H new ATOM 429 N MET A 28 7.681 29.831 26.929 1.00 0.00 N ATOM 430 CA MET A 28 7.957 30.457 28.218 1.00 0.00 C ATOM 431 C MET A 28 7.151 31.738 28.380 1.00 0.00 C ATOM 432 O MET A 28 6.195 31.974 27.644 1.00 0.00 O ATOM 433 CB MET A 28 9.443 30.775 28.325 1.00 0.00 C ATOM 434 CG MET A 28 10.295 29.603 27.847 1.00 0.00 C ATOM 435 SD MET A 28 12.037 29.814 28.246 1.00 0.00 S ATOM 436 CE MET A 28 12.578 30.843 26.873 1.00 0.00 C ATOM 0 H MET A 28 7.322 28.878 26.992 1.00 0.00 H new ATOM 0 HA MET A 28 7.670 29.763 29.008 1.00 0.00 H new ATOM 0 HB2 MET A 28 9.672 31.660 27.731 1.00 0.00 H new ATOM 0 HB3 MET A 28 9.693 31.012 29.359 1.00 0.00 H new ATOM 0 HG2 MET A 28 9.930 28.682 28.302 1.00 0.00 H new ATOM 0 HG3 MET A 28 10.183 29.492 26.768 1.00 0.00 H new ATOM 0 HE1 MET A 28 13.641 31.061 26.978 1.00 0.00 H new ATOM 0 HE2 MET A 28 12.407 30.316 25.934 1.00 0.00 H new ATOM 0 HE3 MET A 28 12.015 31.776 26.874 1.00 0.00 H new ATOM 446 N ALA A 29 7.557 32.561 29.354 1.00 0.00 N ATOM 447 CA ALA A 29 6.904 33.845 29.653 1.00 0.00 C ATOM 448 C ALA A 29 7.142 34.214 31.110 1.00 0.00 C ATOM 449 O ALA A 29 7.765 35.231 31.414 1.00 0.00 O ATOM 450 CB ALA A 29 5.399 33.785 29.392 1.00 0.00 C ATOM 0 H ALA A 29 8.351 32.356 29.961 1.00 0.00 H new ATOM 0 HA ALA A 29 7.337 34.599 28.996 1.00 0.00 H new ATOM 0 HB1 ALA A 29 4.951 34.751 29.624 1.00 0.00 H new ATOM 0 HB2 ALA A 29 5.221 33.544 28.344 1.00 0.00 H new ATOM 0 HB3 ALA A 29 4.951 33.017 30.022 1.00 0.00 H new ATOM 456 N GLU A 30 6.635 33.375 32.008 1.00 0.00 N ATOM 457 CA GLU A 30 6.778 33.594 33.442 1.00 0.00 C ATOM 458 C GLU A 30 6.539 32.289 34.190 1.00 0.00 C ATOM 459 O GLU A 30 5.663 31.507 33.820 1.00 0.00 O ATOM 460 CB GLU A 30 5.780 34.650 33.909 1.00 0.00 C ATOM 461 CG GLU A 30 6.490 35.841 34.550 1.00 0.00 C ATOM 462 CD GLU A 30 5.596 37.074 34.507 1.00 0.00 C ATOM 463 OE1 GLU A 30 5.563 37.749 33.457 1.00 0.00 O ATOM 464 OE2 GLU A 30 4.930 37.363 35.524 1.00 0.00 O ATOM 0 H GLU A 30 6.117 32.531 31.764 1.00 0.00 H new ATOM 0 HA GLU A 30 7.789 33.945 33.650 1.00 0.00 H new ATOM 0 HB2 GLU A 30 5.186 34.992 33.062 1.00 0.00 H new ATOM 0 HB3 GLU A 30 5.088 34.208 34.626 1.00 0.00 H new ATOM 0 HG2 GLU A 30 6.749 35.606 35.583 1.00 0.00 H new ATOM 0 HG3 GLU A 30 7.424 36.042 34.025 1.00 0.00 H new ATOM 471 N VAL A 31 7.319 32.051 35.238 1.00 0.00 N ATOM 472 CA VAL A 31 7.178 30.830 36.025 1.00 0.00 C ATOM 473 C VAL A 31 7.206 31.142 37.514 1.00 0.00 C ATOM 474 O VAL A 31 7.746 32.164 37.937 1.00 0.00 O ATOM 475 CB VAL A 31 8.298 29.846 35.687 1.00 0.00 C ATOM 476 CG1 VAL A 31 7.956 28.450 36.200 1.00 0.00 C ATOM 477 CG2 VAL A 31 8.558 29.811 34.183 1.00 0.00 C ATOM 0 H VAL A 31 8.052 32.683 35.562 1.00 0.00 H new ATOM 0 HA VAL A 31 6.217 30.379 35.778 1.00 0.00 H new ATOM 0 HB VAL A 31 9.208 30.186 36.182 1.00 0.00 H new ATOM 0 HG11 VAL A 31 8.764 27.763 35.951 1.00 0.00 H new ATOM 0 HG12 VAL A 31 7.827 28.481 37.282 1.00 0.00 H new ATOM 0 HG13 VAL A 31 7.032 28.108 35.734 1.00 0.00 H new ATOM 0 HG21 VAL A 31 9.359 29.104 33.969 1.00 0.00 H new ATOM 0 HG22 VAL A 31 7.651 29.500 33.664 1.00 0.00 H new ATOM 0 HG23 VAL A 31 8.850 30.804 33.841 1.00 0.00 H new ATOM 487 N GLU A 32 6.620 30.249 38.304 1.00 0.00 N ATOM 488 CA GLU A 32 6.572 30.409 39.746 1.00 0.00 C ATOM 489 C GLU A 32 6.451 29.047 40.417 1.00 0.00 C ATOM 490 O GLU A 32 6.014 28.076 39.798 1.00 0.00 O ATOM 491 CB GLU A 32 5.393 31.290 40.129 1.00 0.00 C ATOM 492 CG GLU A 32 4.064 30.631 39.781 1.00 0.00 C ATOM 493 CD GLU A 32 3.282 31.505 38.810 1.00 0.00 C ATOM 494 OE1 GLU A 32 3.918 32.188 37.979 1.00 0.00 O ATOM 495 OE2 GLU A 32 2.035 31.507 38.881 1.00 0.00 O ATOM 0 H GLU A 32 6.169 29.400 37.962 1.00 0.00 H new ATOM 0 HA GLU A 32 7.493 30.885 40.083 1.00 0.00 H new ATOM 0 HB2 GLU A 32 5.427 31.500 41.198 1.00 0.00 H new ATOM 0 HB3 GLU A 32 5.471 32.247 39.614 1.00 0.00 H new ATOM 0 HG2 GLU A 32 4.241 29.651 39.338 1.00 0.00 H new ATOM 0 HG3 GLU A 32 3.481 30.471 40.688 1.00 0.00 H new ATOM 502 N LEU A 33 6.847 28.979 41.681 1.00 0.00 N ATOM 503 CA LEU A 33 6.789 27.731 42.437 1.00 0.00 C ATOM 504 C LEU A 33 5.996 27.924 43.723 1.00 0.00 C ATOM 505 O LEU A 33 5.458 29.000 43.979 1.00 0.00 O ATOM 506 CB LEU A 33 8.202 27.261 42.772 1.00 0.00 C ATOM 507 CG LEU A 33 8.652 26.139 41.842 1.00 0.00 C ATOM 508 CD1 LEU A 33 10.145 25.870 42.018 1.00 0.00 C ATOM 509 CD2 LEU A 33 7.847 24.869 42.104 1.00 0.00 C ATOM 0 H LEU A 33 7.212 29.773 42.207 1.00 0.00 H new ATOM 0 HA LEU A 33 6.291 26.978 41.826 1.00 0.00 H new ATOM 0 HB2 LEU A 33 8.894 28.100 42.694 1.00 0.00 H new ATOM 0 HB3 LEU A 33 8.236 26.915 43.805 1.00 0.00 H new ATOM 0 HG LEU A 33 8.474 26.452 40.813 1.00 0.00 H new ATOM 0 HD11 LEU A 33 10.451 25.067 41.348 1.00 0.00 H new ATOM 0 HD12 LEU A 33 10.708 26.773 41.783 1.00 0.00 H new ATOM 0 HD13 LEU A 33 10.343 25.577 43.049 1.00 0.00 H new ATOM 0 HD21 LEU A 33 8.183 24.080 41.431 1.00 0.00 H new ATOM 0 HD22 LEU A 33 7.994 24.552 43.136 1.00 0.00 H new ATOM 0 HD23 LEU A 33 6.789 25.067 41.932 1.00 0.00 H new ATOM 521 N ARG A 34 5.935 26.871 44.532 1.00 0.00 N ATOM 522 CA ARG A 34 5.216 26.913 45.801 1.00 0.00 C ATOM 523 C ARG A 34 5.929 26.050 46.835 1.00 0.00 C ATOM 524 O ARG A 34 6.895 25.356 46.517 1.00 0.00 O ATOM 525 CB ARG A 34 3.785 26.419 45.608 1.00 0.00 C ATOM 526 CG ARG A 34 2.859 26.958 46.695 1.00 0.00 C ATOM 527 CD ARG A 34 1.418 27.054 46.203 1.00 0.00 C ATOM 528 NE ARG A 34 0.500 27.120 47.334 1.00 0.00 N ATOM 529 CZ ARG A 34 -0.514 26.270 47.464 1.00 0.00 C ATOM 530 NH1 ARG A 34 -1.602 26.415 46.720 1.00 0.00 N ATOM 531 NH2 ARG A 34 -0.441 25.276 48.337 1.00 0.00 N ATOM 0 H ARG A 34 6.377 25.974 44.330 1.00 0.00 H new ATOM 0 HA ARG A 34 5.190 27.943 46.157 1.00 0.00 H new ATOM 0 HB2 ARG A 34 3.420 26.730 44.629 1.00 0.00 H new ATOM 0 HB3 ARG A 34 3.770 25.329 45.622 1.00 0.00 H new ATOM 0 HG2 ARG A 34 2.904 26.308 47.569 1.00 0.00 H new ATOM 0 HG3 ARG A 34 3.203 27.942 47.012 1.00 0.00 H new ATOM 0 HD2 ARG A 34 1.299 27.938 45.577 1.00 0.00 H new ATOM 0 HD3 ARG A 34 1.180 26.190 45.583 1.00 0.00 H new ATOM 0 HE ARG A 34 0.640 27.838 48.045 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -1.662 27.179 46.047 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -2.379 25.762 46.821 1.00 0.00 H new ATOM 0 HH21 ARG A 34 0.394 25.162 48.911 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -1.220 24.625 48.435 1.00 0.00 H new ATOM 545 N GLU A 35 5.445 26.093 48.071 1.00 0.00 N ATOM 546 CA GLU A 35 6.027 25.316 49.155 1.00 0.00 C ATOM 547 C GLU A 35 4.965 25.058 50.209 1.00 0.00 C ATOM 548 O GLU A 35 4.737 25.887 51.091 1.00 0.00 O ATOM 549 CB GLU A 35 7.207 26.067 49.765 1.00 0.00 C ATOM 550 CG GLU A 35 8.333 26.245 48.750 1.00 0.00 C ATOM 551 CD GLU A 35 9.665 26.427 49.465 1.00 0.00 C ATOM 552 OE1 GLU A 35 9.804 27.410 50.224 1.00 0.00 O ATOM 553 OE2 GLU A 35 10.567 25.587 49.266 1.00 0.00 O ATOM 0 H GLU A 35 4.645 26.663 48.347 1.00 0.00 H new ATOM 0 HA GLU A 35 6.390 24.364 48.767 1.00 0.00 H new ATOM 0 HB2 GLU A 35 6.876 27.043 50.120 1.00 0.00 H new ATOM 0 HB3 GLU A 35 7.579 25.522 50.633 1.00 0.00 H new ATOM 0 HG2 GLU A 35 8.381 25.376 48.093 1.00 0.00 H new ATOM 0 HG3 GLU A 35 8.130 27.110 48.119 1.00 0.00 H new ATOM 560 N HIS A 36 4.301 23.910 50.099 1.00 0.00 N ATOM 561 CA HIS A 36 3.234 23.532 51.027 1.00 0.00 C ATOM 562 C HIS A 36 3.586 23.909 52.463 1.00 0.00 C ATOM 563 O HIS A 36 4.549 23.397 53.034 1.00 0.00 O ATOM 564 CB HIS A 36 2.971 22.032 50.931 1.00 0.00 C ATOM 565 CG HIS A 36 1.530 21.712 50.680 1.00 0.00 C ATOM 566 ND1 HIS A 36 0.754 22.391 49.776 1.00 0.00 N ATOM 567 CD2 HIS A 36 0.705 20.775 51.214 1.00 0.00 C ATOM 568 CE1 HIS A 36 -0.467 21.911 49.750 1.00 0.00 C ATOM 569 NE2 HIS A 36 -0.536 20.917 50.621 1.00 0.00 N ATOM 0 H HIS A 36 4.484 23.219 49.371 1.00 0.00 H new ATOM 0 HA HIS A 36 2.333 24.079 50.748 1.00 0.00 H new ATOM 0 HB2 HIS A 36 3.577 21.612 50.128 1.00 0.00 H new ATOM 0 HB3 HIS A 36 3.290 21.552 51.856 1.00 0.00 H new ATOM 0 HD2 HIS A 36 0.971 20.048 51.968 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -1.275 22.265 49.127 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -1.362 20.353 50.820 1.00 0.00 H new ATOM 577 N GLY A 37 2.801 24.815 53.034 1.00 0.00 N ATOM 578 CA GLY A 37 3.022 25.279 54.399 1.00 0.00 C ATOM 579 C GLY A 37 3.177 26.794 54.428 1.00 0.00 C ATOM 580 O GLY A 37 2.909 27.436 55.444 1.00 0.00 O ATOM 0 H GLY A 37 2.001 25.245 52.570 1.00 0.00 H new ATOM 0 HA2 GLY A 37 2.185 24.981 55.031 1.00 0.00 H new ATOM 0 HA3 GLY A 37 3.915 24.808 54.810 1.00 0.00 H new ATOM 584 N SER A 38 3.609 27.362 53.305 1.00 0.00 N ATOM 585 CA SER A 38 3.801 28.804 53.196 1.00 0.00 C ATOM 586 C SER A 38 2.458 29.509 53.053 1.00 0.00 C ATOM 587 O SER A 38 1.412 28.945 53.376 1.00 0.00 O ATOM 588 CB SER A 38 4.684 29.120 51.993 1.00 0.00 C ATOM 589 OG SER A 38 5.792 28.235 51.943 1.00 0.00 O ATOM 0 H SER A 38 3.833 26.843 52.456 1.00 0.00 H new ATOM 0 HA SER A 38 4.289 29.162 54.103 1.00 0.00 H new ATOM 0 HB2 SER A 38 4.102 29.036 51.075 1.00 0.00 H new ATOM 0 HB3 SER A 38 5.036 30.150 52.054 1.00 0.00 H new ATOM 0 HG SER A 38 5.492 27.352 51.642 1.00 0.00 H new ATOM 595 N ASP A 39 2.494 30.745 52.568 1.00 0.00 N ATOM 596 CA ASP A 39 1.280 31.532 52.382 1.00 0.00 C ATOM 597 C ASP A 39 0.611 31.178 51.059 1.00 0.00 C ATOM 598 O ASP A 39 -0.493 30.635 51.039 1.00 0.00 O ATOM 599 CB ASP A 39 1.614 33.021 52.413 1.00 0.00 C ATOM 600 CG ASP A 39 1.985 33.448 53.827 1.00 0.00 C ATOM 601 OD1 ASP A 39 3.077 33.066 54.298 1.00 0.00 O ATOM 602 OD2 ASP A 39 1.182 34.164 54.463 1.00 0.00 O ATOM 0 H ASP A 39 3.352 31.225 52.296 1.00 0.00 H new ATOM 0 HA ASP A 39 0.590 31.302 53.194 1.00 0.00 H new ATOM 0 HB2 ASP A 39 2.440 33.230 51.734 1.00 0.00 H new ATOM 0 HB3 ASP A 39 0.759 33.600 52.063 1.00 0.00 H new ATOM 607 N GLU A 40 1.284 31.491 49.956 1.00 0.00 N ATOM 608 CA GLU A 40 0.749 31.206 48.628 1.00 0.00 C ATOM 609 C GLU A 40 1.879 31.028 47.621 1.00 0.00 C ATOM 610 O GLU A 40 3.056 31.072 47.980 1.00 0.00 O ATOM 611 CB GLU A 40 -0.168 32.342 48.183 1.00 0.00 C ATOM 612 CG GLU A 40 -1.634 31.998 48.433 1.00 0.00 C ATOM 613 CD GLU A 40 -2.537 33.042 47.790 1.00 0.00 C ATOM 614 OE1 GLU A 40 -2.541 33.141 46.545 1.00 0.00 O ATOM 615 OE2 GLU A 40 -3.239 33.760 48.533 1.00 0.00 O ATOM 0 H GLU A 40 2.199 31.941 49.955 1.00 0.00 H new ATOM 0 HA GLU A 40 0.178 30.279 48.676 1.00 0.00 H new ATOM 0 HB2 GLU A 40 0.091 33.254 48.721 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -0.014 32.543 47.123 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -1.858 31.012 48.025 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -1.826 31.951 49.505 1.00 0.00 H new ATOM 622 N TRP A 41 1.512 30.826 46.359 1.00 0.00 N ATOM 623 CA TRP A 41 2.493 30.638 45.293 1.00 0.00 C ATOM 624 C TRP A 41 3.536 31.747 45.323 1.00 0.00 C ATOM 625 O TRP A 41 3.251 32.871 45.737 1.00 0.00 O ATOM 626 CB TRP A 41 1.794 30.626 43.935 1.00 0.00 C ATOM 627 CG TRP A 41 0.841 29.480 43.781 1.00 0.00 C ATOM 628 CD1 TRP A 41 -0.471 29.447 44.167 1.00 0.00 C ATOM 629 CD2 TRP A 41 1.124 28.190 43.195 1.00 0.00 C ATOM 630 NE1 TRP A 41 -0.993 28.224 43.851 1.00 0.00 N ATOM 631 CE2 TRP A 41 -0.055 27.435 43.260 1.00 0.00 C ATOM 632 CE3 TRP A 41 2.257 27.603 42.624 1.00 0.00 C ATOM 633 CZ2 TRP A 41 -0.127 26.138 42.780 1.00 0.00 C ATOM 634 CZ3 TRP A 41 2.191 26.303 42.140 1.00 0.00 C ATOM 635 CH2 TRP A 41 1.008 25.576 42.218 1.00 0.00 C ATOM 0 H TRP A 41 0.541 30.788 46.048 1.00 0.00 H new ATOM 0 HA TRP A 41 2.993 29.682 45.450 1.00 0.00 H new ATOM 0 HB2 TRP A 41 1.253 31.563 43.802 1.00 0.00 H new ATOM 0 HB3 TRP A 41 2.544 30.577 43.146 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -1.007 30.255 44.643 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -1.956 27.941 44.034 1.00 0.00 H new ATOM 0 HE3 TRP A 41 3.181 28.159 42.559 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -1.048 25.577 42.842 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 3.067 25.852 41.698 1.00 0.00 H new ATOM 0 HH2 TRP A 41 0.974 24.566 41.838 1.00 0.00 H new ATOM 646 N VAL A 42 4.746 31.424 44.876 1.00 0.00 N ATOM 647 CA VAL A 42 5.838 32.392 44.843 1.00 0.00 C ATOM 648 C VAL A 42 6.519 32.368 43.481 1.00 0.00 C ATOM 649 O VAL A 42 6.850 31.303 42.961 1.00 0.00 O ATOM 650 CB VAL A 42 6.853 32.072 45.937 1.00 0.00 C ATOM 651 CG1 VAL A 42 6.288 32.423 47.310 1.00 0.00 C ATOM 652 CG2 VAL A 42 7.254 30.601 45.882 1.00 0.00 C ATOM 0 H VAL A 42 4.996 30.497 44.531 1.00 0.00 H new ATOM 0 HA VAL A 42 5.430 33.388 45.017 1.00 0.00 H new ATOM 0 HB VAL A 42 7.744 32.677 45.767 1.00 0.00 H new ATOM 0 HG11 VAL A 42 7.025 32.188 48.078 1.00 0.00 H new ATOM 0 HG12 VAL A 42 6.053 33.487 47.346 1.00 0.00 H new ATOM 0 HG13 VAL A 42 5.381 31.845 47.489 1.00 0.00 H new ATOM 0 HG21 VAL A 42 7.978 30.392 46.669 1.00 0.00 H new ATOM 0 HG22 VAL A 42 6.371 29.978 46.026 1.00 0.00 H new ATOM 0 HG23 VAL A 42 7.699 30.381 44.912 1.00 0.00 H new ATOM 662 N ALA A 43 6.725 33.548 42.906 1.00 0.00 N ATOM 663 CA ALA A 43 7.365 33.662 41.600 1.00 0.00 C ATOM 664 C ALA A 43 8.741 33.007 41.619 1.00 0.00 C ATOM 665 O ALA A 43 9.430 33.018 42.640 1.00 0.00 O ATOM 666 CB ALA A 43 7.494 35.132 41.210 1.00 0.00 C ATOM 0 H ALA A 43 6.458 34.439 43.324 1.00 0.00 H new ATOM 0 HA ALA A 43 6.746 33.148 40.864 1.00 0.00 H new ATOM 0 HB1 ALA A 43 7.973 35.209 40.234 1.00 0.00 H new ATOM 0 HB2 ALA A 43 6.504 35.585 41.165 1.00 0.00 H new ATOM 0 HB3 ALA A 43 8.098 35.654 41.952 1.00 0.00 H new ATOM 672 N MET A 44 9.136 32.439 40.483 1.00 0.00 N ATOM 673 CA MET A 44 10.433 31.779 40.362 1.00 0.00 C ATOM 674 C MET A 44 11.546 32.819 40.333 1.00 0.00 C ATOM 675 O MET A 44 11.323 33.985 40.659 1.00 0.00 O ATOM 676 CB MET A 44 10.467 30.939 39.089 1.00 0.00 C ATOM 677 CG MET A 44 10.535 29.448 39.406 1.00 0.00 C ATOM 678 SD MET A 44 12.219 28.881 39.695 1.00 0.00 S ATOM 679 CE MET A 44 12.002 27.097 39.585 1.00 0.00 C ATOM 0 H MET A 44 8.575 32.422 39.631 1.00 0.00 H new ATOM 0 HA MET A 44 10.584 31.127 41.222 1.00 0.00 H new ATOM 0 HB2 MET A 44 9.579 31.145 38.492 1.00 0.00 H new ATOM 0 HB3 MET A 44 11.329 31.224 38.486 1.00 0.00 H new ATOM 0 HG2 MET A 44 9.928 29.239 40.287 1.00 0.00 H new ATOM 0 HG3 MET A 44 10.102 28.884 38.580 1.00 0.00 H new ATOM 0 HE1 MET A 44 12.633 26.607 40.326 1.00 0.00 H new ATOM 0 HE2 MET A 44 10.958 26.845 39.774 1.00 0.00 H new ATOM 0 HE3 MET A 44 12.283 26.757 38.588 1.00 0.00 H new ATOM 689 N THR A 45 12.746 32.398 39.942 1.00 0.00 N ATOM 690 CA THR A 45 13.885 33.307 39.876 1.00 0.00 C ATOM 691 C THR A 45 14.904 32.819 38.856 1.00 0.00 C ATOM 692 O THR A 45 15.545 31.786 39.049 1.00 0.00 O ATOM 693 CB THR A 45 14.538 33.421 41.251 1.00 0.00 C ATOM 694 OG1 THR A 45 13.597 33.904 42.197 1.00 0.00 O ATOM 695 CG2 THR A 45 15.750 34.346 41.201 1.00 0.00 C ATOM 0 H THR A 45 12.954 31.438 39.667 1.00 0.00 H new ATOM 0 HA THR A 45 13.528 34.288 39.564 1.00 0.00 H new ATOM 0 HB THR A 45 14.875 32.430 41.554 1.00 0.00 H new ATOM 0 HG1 THR A 45 14.023 33.973 43.077 1.00 0.00 H new ATOM 0 HG21 THR A 45 16.199 34.412 42.192 1.00 0.00 H new ATOM 0 HG22 THR A 45 16.482 33.949 40.497 1.00 0.00 H new ATOM 0 HG23 THR A 45 15.437 35.339 40.878 1.00 0.00 H new ATOM 703 N LYS A 46 15.055 33.572 37.771 1.00 0.00 N ATOM 704 CA LYS A 46 16.003 33.221 36.720 1.00 0.00 C ATOM 705 C LYS A 46 17.429 33.381 37.231 1.00 0.00 C ATOM 706 O LYS A 46 18.152 34.285 36.812 1.00 0.00 O ATOM 707 CB LYS A 46 15.784 34.114 35.502 1.00 0.00 C ATOM 708 CG LYS A 46 15.764 35.588 35.895 1.00 0.00 C ATOM 709 CD LYS A 46 16.252 36.474 34.752 1.00 0.00 C ATOM 710 CE LYS A 46 15.296 36.418 33.563 1.00 0.00 C ATOM 711 NZ LYS A 46 15.334 37.684 32.778 1.00 0.00 N ATOM 0 H LYS A 46 14.532 34.430 37.597 1.00 0.00 H new ATOM 0 HA LYS A 46 15.844 32.182 36.432 1.00 0.00 H new ATOM 0 HB2 LYS A 46 16.576 33.940 34.773 1.00 0.00 H new ATOM 0 HB3 LYS A 46 14.843 33.851 35.019 1.00 0.00 H new ATOM 0 HG2 LYS A 46 14.751 35.878 36.176 1.00 0.00 H new ATOM 0 HG3 LYS A 46 16.394 35.741 36.771 1.00 0.00 H new ATOM 0 HD2 LYS A 46 16.344 37.503 35.100 1.00 0.00 H new ATOM 0 HD3 LYS A 46 17.246 36.153 34.439 1.00 0.00 H new ATOM 0 HE2 LYS A 46 15.562 35.580 32.919 1.00 0.00 H new ATOM 0 HE3 LYS A 46 14.281 36.238 33.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 14.674 37.616 31.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 15.057 38.479 33.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 16.298 37.842 32.420 1.00 0.00 H new ATOM 725 N GLY A 47 17.824 32.503 38.147 1.00 0.00 N ATOM 726 CA GLY A 47 19.161 32.551 38.727 1.00 0.00 C ATOM 727 C GLY A 47 20.142 31.703 37.927 1.00 0.00 C ATOM 728 O GLY A 47 21.345 31.966 37.934 1.00 0.00 O ATOM 0 H GLY A 47 17.237 31.749 38.504 1.00 0.00 H new ATOM 0 HA2 GLY A 47 19.510 33.583 38.757 1.00 0.00 H new ATOM 0 HA3 GLY A 47 19.126 32.196 39.757 1.00 0.00 H new ATOM 732 N GLU A 48 19.632 30.683 37.242 1.00 0.00 N ATOM 733 CA GLU A 48 20.481 29.803 36.447 1.00 0.00 C ATOM 734 C GLU A 48 20.857 30.452 35.115 1.00 0.00 C ATOM 735 O GLU A 48 21.769 29.988 34.431 1.00 0.00 O ATOM 736 CB GLU A 48 19.765 28.480 36.195 1.00 0.00 C ATOM 737 CG GLU A 48 20.727 27.437 35.633 1.00 0.00 C ATOM 738 CD GLU A 48 20.777 27.522 34.113 1.00 0.00 C ATOM 739 OE1 GLU A 48 20.123 28.420 33.544 1.00 0.00 O ATOM 740 OE2 GLU A 48 21.471 26.688 33.493 1.00 0.00 O ATOM 0 H GLU A 48 18.640 30.447 37.222 1.00 0.00 H new ATOM 0 HA GLU A 48 21.398 29.620 37.007 1.00 0.00 H new ATOM 0 HB2 GLU A 48 19.330 28.115 37.125 1.00 0.00 H new ATOM 0 HB3 GLU A 48 18.942 28.635 35.497 1.00 0.00 H new ATOM 0 HG2 GLU A 48 21.724 27.594 36.045 1.00 0.00 H new ATOM 0 HG3 GLU A 48 20.410 26.440 35.937 1.00 0.00 H new ATOM 747 N GLY A 49 20.151 31.518 34.744 1.00 0.00 N ATOM 748 CA GLY A 49 20.417 32.211 33.487 1.00 0.00 C ATOM 749 C GLY A 49 19.412 31.775 32.430 1.00 0.00 C ATOM 750 O GLY A 49 18.896 32.591 31.667 1.00 0.00 O ATOM 0 H GLY A 49 19.392 31.919 35.295 1.00 0.00 H new ATOM 0 HA2 GLY A 49 20.356 33.289 33.636 1.00 0.00 H new ATOM 0 HA3 GLY A 49 21.430 31.993 33.149 1.00 0.00 H new ATOM 754 N GLY A 50 19.130 30.479 32.409 1.00 0.00 N ATOM 755 CA GLY A 50 18.173 29.907 31.469 1.00 0.00 C ATOM 756 C GLY A 50 17.137 29.108 32.240 1.00 0.00 C ATOM 757 O GLY A 50 15.934 29.224 32.004 1.00 0.00 O ATOM 0 H GLY A 50 19.555 29.798 33.038 1.00 0.00 H new ATOM 0 HA2 GLY A 50 17.688 30.698 30.897 1.00 0.00 H new ATOM 0 HA3 GLY A 50 18.687 29.265 30.753 1.00 0.00 H new ATOM 761 N VAL A 51 17.625 28.310 33.182 1.00 0.00 N ATOM 762 CA VAL A 51 16.775 27.493 34.029 1.00 0.00 C ATOM 763 C VAL A 51 16.247 28.343 35.182 1.00 0.00 C ATOM 764 O VAL A 51 16.896 29.298 35.608 1.00 0.00 O ATOM 765 CB VAL A 51 17.594 26.308 34.557 1.00 0.00 C ATOM 766 CG1 VAL A 51 16.935 25.651 35.759 1.00 0.00 C ATOM 767 CG2 VAL A 51 17.826 25.283 33.450 1.00 0.00 C ATOM 0 H VAL A 51 18.621 28.213 33.378 1.00 0.00 H new ATOM 0 HA VAL A 51 15.925 27.112 33.462 1.00 0.00 H new ATOM 0 HB VAL A 51 18.557 26.699 34.886 1.00 0.00 H new ATOM 0 HG11 VAL A 51 17.549 24.817 36.100 1.00 0.00 H new ATOM 0 HG12 VAL A 51 16.835 26.380 36.563 1.00 0.00 H new ATOM 0 HG13 VAL A 51 15.948 25.284 35.477 1.00 0.00 H new ATOM 0 HG21 VAL A 51 18.409 24.449 33.842 1.00 0.00 H new ATOM 0 HG22 VAL A 51 16.866 24.916 33.087 1.00 0.00 H new ATOM 0 HG23 VAL A 51 18.369 25.751 32.629 1.00 0.00 H new ATOM 777 N TRP A 52 15.072 27.995 35.684 1.00 0.00 N ATOM 778 CA TRP A 52 14.475 28.732 36.787 1.00 0.00 C ATOM 779 C TRP A 52 14.852 28.089 38.113 1.00 0.00 C ATOM 780 O TRP A 52 14.469 26.955 38.399 1.00 0.00 O ATOM 781 CB TRP A 52 12.965 28.763 36.619 1.00 0.00 C ATOM 782 CG TRP A 52 12.560 28.947 35.189 1.00 0.00 C ATOM 783 CD1 TRP A 52 11.528 28.331 34.548 1.00 0.00 C ATOM 784 CD2 TRP A 52 13.203 29.793 34.211 1.00 0.00 C ATOM 785 NE1 TRP A 52 11.486 28.771 33.254 1.00 0.00 N ATOM 786 CE2 TRP A 52 12.490 29.658 33.014 1.00 0.00 C ATOM 787 CE3 TRP A 52 14.303 30.656 34.236 1.00 0.00 C ATOM 788 CZ2 TRP A 52 12.840 30.349 31.867 1.00 0.00 C ATOM 789 CZ3 TRP A 52 14.660 31.349 33.088 1.00 0.00 C ATOM 790 CH2 TRP A 52 13.932 31.197 31.914 1.00 0.00 C ATOM 0 H TRP A 52 14.515 27.210 35.347 1.00 0.00 H new ATOM 0 HA TRP A 52 14.852 29.755 36.784 1.00 0.00 H new ATOM 0 HB2 TRP A 52 12.539 27.834 36.999 1.00 0.00 H new ATOM 0 HB3 TRP A 52 12.551 29.573 37.220 1.00 0.00 H new ATOM 0 HD1 TRP A 52 10.853 27.613 34.990 1.00 0.00 H new ATOM 0 HE1 TRP A 52 10.797 28.475 32.563 1.00 0.00 H new ATOM 0 HE3 TRP A 52 14.872 30.783 35.145 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 12.273 30.229 30.956 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 15.512 32.013 33.107 1.00 0.00 H new ATOM 0 HH2 TRP A 52 14.221 31.746 31.030 1.00 0.00 H new ATOM 801 N THR A 53 15.612 28.823 38.917 1.00 0.00 N ATOM 802 CA THR A 53 16.053 28.332 40.216 1.00 0.00 C ATOM 803 C THR A 53 15.316 29.056 41.331 1.00 0.00 C ATOM 804 O THR A 53 15.127 30.271 41.277 1.00 0.00 O ATOM 805 CB THR A 53 17.557 28.534 40.369 1.00 0.00 C ATOM 806 OG1 THR A 53 17.944 29.764 39.777 1.00 0.00 O ATOM 807 CG2 THR A 53 18.325 27.382 39.729 1.00 0.00 C ATOM 0 H THR A 53 15.936 29.763 38.691 1.00 0.00 H new ATOM 0 HA THR A 53 15.829 27.267 40.281 1.00 0.00 H new ATOM 0 HB THR A 53 17.795 28.558 41.432 1.00 0.00 H new ATOM 0 HG1 THR A 53 18.911 29.887 39.881 1.00 0.00 H new ATOM 0 HG21 THR A 53 19.396 27.547 39.850 1.00 0.00 H new ATOM 0 HG22 THR A 53 18.045 26.446 40.212 1.00 0.00 H new ATOM 0 HG23 THR A 53 18.084 27.329 38.667 1.00 0.00 H new ATOM 815 N PHE A 54 14.899 28.302 42.340 1.00 0.00 N ATOM 816 CA PHE A 54 14.176 28.873 43.471 1.00 0.00 C ATOM 817 C PHE A 54 14.928 28.623 44.772 1.00 0.00 C ATOM 818 O PHE A 54 15.523 27.563 44.964 1.00 0.00 O ATOM 819 CB PHE A 54 12.778 28.268 43.555 1.00 0.00 C ATOM 820 CG PHE A 54 11.892 28.982 44.542 1.00 0.00 C ATOM 821 CD1 PHE A 54 11.185 30.108 44.151 1.00 0.00 C ATOM 822 CD2 PHE A 54 11.786 28.516 45.842 1.00 0.00 C ATOM 823 CE1 PHE A 54 10.373 30.766 45.060 1.00 0.00 C ATOM 824 CE2 PHE A 54 10.974 29.174 46.750 1.00 0.00 C ATOM 825 CZ PHE A 54 10.267 30.299 46.359 1.00 0.00 C ATOM 0 H PHE A 54 15.048 27.295 42.399 1.00 0.00 H new ATOM 0 HA PHE A 54 14.094 29.949 43.320 1.00 0.00 H new ATOM 0 HB2 PHE A 54 12.314 28.298 42.569 1.00 0.00 H new ATOM 0 HB3 PHE A 54 12.858 27.218 43.838 1.00 0.00 H new ATOM 0 HD1 PHE A 54 11.267 30.472 43.138 1.00 0.00 H new ATOM 0 HD2 PHE A 54 12.337 27.639 46.148 1.00 0.00 H new ATOM 0 HE1 PHE A 54 9.822 31.644 44.755 1.00 0.00 H new ATOM 0 HE2 PHE A 54 10.892 28.810 47.763 1.00 0.00 H new ATOM 0 HZ PHE A 54 9.633 30.812 47.067 1.00 0.00 H new ATOM 835 N ASP A 55 14.891 29.607 45.666 1.00 0.00 N ATOM 836 CA ASP A 55 15.564 29.499 46.957 1.00 0.00 C ATOM 837 C ASP A 55 14.559 29.132 48.041 1.00 0.00 C ATOM 838 O ASP A 55 13.714 29.943 48.417 1.00 0.00 O ATOM 839 CB ASP A 55 16.244 30.820 47.302 1.00 0.00 C ATOM 840 CG ASP A 55 17.463 31.034 46.414 1.00 0.00 C ATOM 841 OD1 ASP A 55 17.391 30.698 45.214 1.00 0.00 O ATOM 842 OD2 ASP A 55 18.488 31.537 46.921 1.00 0.00 O ATOM 0 H ASP A 55 14.401 30.490 45.520 1.00 0.00 H new ATOM 0 HA ASP A 55 16.320 28.716 46.897 1.00 0.00 H new ATOM 0 HB2 ASP A 55 15.542 31.643 47.172 1.00 0.00 H new ATOM 0 HB3 ASP A 55 16.544 30.820 48.350 1.00 0.00 H new ATOM 847 N SER A 56 14.653 27.903 48.537 1.00 0.00 N ATOM 848 CA SER A 56 13.748 27.425 49.577 1.00 0.00 C ATOM 849 C SER A 56 14.314 27.726 50.958 1.00 0.00 C ATOM 850 O SER A 56 15.517 27.935 51.116 1.00 0.00 O ATOM 851 CB SER A 56 13.523 25.924 49.423 1.00 0.00 C ATOM 852 OG SER A 56 14.634 25.199 49.927 1.00 0.00 O ATOM 0 H SER A 56 15.347 27.219 48.236 1.00 0.00 H new ATOM 0 HA SER A 56 12.795 27.943 49.472 1.00 0.00 H new ATOM 0 HB2 SER A 56 12.618 25.630 49.955 1.00 0.00 H new ATOM 0 HB3 SER A 56 13.369 25.680 48.372 1.00 0.00 H new ATOM 0 HG SER A 56 14.472 24.238 49.822 1.00 0.00 H new ATOM 858 N GLU A 57 13.437 27.748 51.956 1.00 0.00 N ATOM 859 CA GLU A 57 13.843 28.024 53.330 1.00 0.00 C ATOM 860 C GLU A 57 13.197 27.029 54.285 1.00 0.00 C ATOM 861 O GLU A 57 13.853 26.500 55.183 1.00 0.00 O ATOM 862 CB GLU A 57 13.443 29.446 53.713 1.00 0.00 C ATOM 863 CG GLU A 57 14.415 30.469 53.132 1.00 0.00 C ATOM 864 CD GLU A 57 14.398 31.744 53.967 1.00 0.00 C ATOM 865 OE1 GLU A 57 14.590 31.652 55.197 1.00 0.00 O ATOM 866 OE2 GLU A 57 14.194 32.832 53.388 1.00 0.00 O ATOM 0 H GLU A 57 12.438 27.578 51.839 1.00 0.00 H new ATOM 0 HA GLU A 57 14.926 27.924 53.401 1.00 0.00 H new ATOM 0 HB2 GLU A 57 12.435 29.653 53.352 1.00 0.00 H new ATOM 0 HB3 GLU A 57 13.419 29.540 54.799 1.00 0.00 H new ATOM 0 HG2 GLU A 57 15.422 30.053 53.110 1.00 0.00 H new ATOM 0 HG3 GLU A 57 14.142 30.697 52.102 1.00 0.00 H new ATOM 873 N GLU A 58 11.906 26.778 54.089 1.00 0.00 N ATOM 874 CA GLU A 58 11.169 25.846 54.936 1.00 0.00 C ATOM 875 C GLU A 58 11.902 24.510 55.020 1.00 0.00 C ATOM 876 O GLU A 58 12.687 24.167 54.136 1.00 0.00 O ATOM 877 CB GLU A 58 9.758 25.641 54.382 1.00 0.00 C ATOM 878 CG GLU A 58 9.775 24.865 53.066 1.00 0.00 C ATOM 879 CD GLU A 58 8.359 24.470 52.669 1.00 0.00 C ATOM 880 OE1 GLU A 58 7.406 25.138 53.121 1.00 0.00 O ATOM 881 OE2 GLU A 58 8.206 23.492 51.907 1.00 0.00 O ATOM 0 H GLU A 58 11.348 27.207 53.351 1.00 0.00 H new ATOM 0 HA GLU A 58 11.098 26.265 55.940 1.00 0.00 H new ATOM 0 HB2 GLU A 58 9.154 25.104 55.113 1.00 0.00 H new ATOM 0 HB3 GLU A 58 9.284 26.610 54.227 1.00 0.00 H new ATOM 0 HG2 GLU A 58 10.223 25.475 52.282 1.00 0.00 H new ATOM 0 HG3 GLU A 58 10.393 23.973 53.169 1.00 0.00 H new ATOM 888 N PRO A 59 11.651 23.736 56.090 1.00 0.00 N ATOM 889 CA PRO A 59 12.289 22.425 56.293 1.00 0.00 C ATOM 890 C PRO A 59 11.830 21.391 55.273 1.00 0.00 C ATOM 891 O PRO A 59 12.601 20.524 54.862 1.00 0.00 O ATOM 892 CB PRO A 59 11.849 22.024 57.695 1.00 0.00 C ATOM 893 CG PRO A 59 10.585 22.768 57.933 1.00 0.00 C ATOM 894 CD PRO A 59 10.730 24.065 57.191 1.00 0.00 C ATOM 0 HA PRO A 59 13.371 22.479 56.174 1.00 0.00 H new ATOM 0 HB2 PRO A 59 11.692 20.948 57.766 1.00 0.00 H new ATOM 0 HB3 PRO A 59 12.605 22.285 58.435 1.00 0.00 H new ATOM 0 HG2 PRO A 59 9.725 22.204 57.571 1.00 0.00 H new ATOM 0 HG3 PRO A 59 10.428 22.942 58.998 1.00 0.00 H new ATOM 0 HD2 PRO A 59 9.770 24.422 56.817 1.00 0.00 H new ATOM 0 HD3 PRO A 59 11.135 24.849 57.831 1.00 0.00 H new ATOM 902 N LEU A 60 10.567 21.484 54.876 1.00 0.00 N ATOM 903 CA LEU A 60 9.994 20.553 53.911 1.00 0.00 C ATOM 904 C LEU A 60 10.584 20.778 52.525 1.00 0.00 C ATOM 905 O LEU A 60 10.989 21.889 52.182 1.00 0.00 O ATOM 906 CB LEU A 60 8.481 20.726 53.871 1.00 0.00 C ATOM 907 CG LEU A 60 7.878 20.580 55.265 1.00 0.00 C ATOM 908 CD1 LEU A 60 6.775 21.611 55.482 1.00 0.00 C ATOM 909 CD2 LEU A 60 7.337 19.167 55.469 1.00 0.00 C ATOM 0 H LEU A 60 9.918 22.197 55.208 1.00 0.00 H new ATOM 0 HA LEU A 60 10.235 19.536 54.221 1.00 0.00 H new ATOM 0 HB2 LEU A 60 8.234 21.707 53.465 1.00 0.00 H new ATOM 0 HB3 LEU A 60 8.044 19.985 53.202 1.00 0.00 H new ATOM 0 HG LEU A 60 8.664 20.757 55.999 1.00 0.00 H new ATOM 0 HD11 LEU A 60 6.357 21.492 56.481 1.00 0.00 H new ATOM 0 HD12 LEU A 60 7.189 22.614 55.379 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.990 21.465 54.740 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.911 19.081 56.469 1.00 0.00 H new ATOM 0 HD22 LEU A 60 6.565 18.962 54.727 1.00 0.00 H new ATOM 0 HD23 LEU A 60 8.148 18.447 55.357 1.00 0.00 H new ATOM 921 N GLN A 61 10.628 19.712 51.731 1.00 0.00 N ATOM 922 CA GLN A 61 11.167 19.780 50.377 1.00 0.00 C ATOM 923 C GLN A 61 10.956 18.453 49.659 1.00 0.00 C ATOM 924 O GLN A 61 11.901 17.692 49.450 1.00 0.00 O ATOM 925 CB GLN A 61 12.656 20.113 50.425 1.00 0.00 C ATOM 926 CG GLN A 61 13.266 20.128 49.026 1.00 0.00 C ATOM 927 CD GLN A 61 13.597 21.555 48.610 1.00 0.00 C ATOM 928 OE1 GLN A 61 14.688 21.830 48.109 1.00 0.00 O ATOM 929 NE2 GLN A 61 12.653 22.466 48.816 1.00 0.00 N ATOM 0 H GLN A 61 10.295 18.787 52.004 1.00 0.00 H new ATOM 0 HA GLN A 61 10.643 20.564 49.830 1.00 0.00 H new ATOM 0 HB2 GLN A 61 12.798 21.085 50.897 1.00 0.00 H new ATOM 0 HB3 GLN A 61 13.175 19.380 51.043 1.00 0.00 H new ATOM 0 HG2 GLN A 61 14.169 19.518 49.009 1.00 0.00 H new ATOM 0 HG3 GLN A 61 12.570 19.686 48.313 1.00 0.00 H new ATOM 0 HE21 GLN A 61 11.764 22.193 49.234 1.00 0.00 H new ATOM 0 HE22 GLN A 61 12.817 23.439 48.556 1.00 0.00 H new ATOM 938 N GLY A 62 9.710 18.179 49.285 1.00 0.00 N ATOM 939 CA GLY A 62 9.373 16.940 48.591 1.00 0.00 C ATOM 940 C GLY A 62 8.583 17.229 47.319 1.00 0.00 C ATOM 941 O GLY A 62 9.162 17.527 46.274 1.00 0.00 O ATOM 0 H GLY A 62 8.917 18.798 49.451 1.00 0.00 H new ATOM 0 HA2 GLY A 62 10.285 16.397 48.343 1.00 0.00 H new ATOM 0 HA3 GLY A 62 8.789 16.297 49.249 1.00 0.00 H new ATOM 945 N PRO A 63 7.243 17.140 47.391 1.00 0.00 N ATOM 946 CA PRO A 63 6.370 17.391 46.236 1.00 0.00 C ATOM 947 C PRO A 63 6.209 18.880 45.948 1.00 0.00 C ATOM 948 O PRO A 63 5.395 19.559 46.574 1.00 0.00 O ATOM 949 CB PRO A 63 5.040 16.774 46.641 1.00 0.00 C ATOM 950 CG PRO A 63 5.033 16.778 48.137 1.00 0.00 C ATOM 951 CD PRO A 63 6.473 16.787 48.596 1.00 0.00 C ATOM 0 HA PRO A 63 6.780 16.967 45.319 1.00 0.00 H new ATOM 0 HB2 PRO A 63 4.204 17.349 46.244 1.00 0.00 H new ATOM 0 HB3 PRO A 63 4.943 15.761 46.251 1.00 0.00 H new ATOM 0 HG2 PRO A 63 4.504 17.652 48.516 1.00 0.00 H new ATOM 0 HG3 PRO A 63 4.513 15.900 48.521 1.00 0.00 H new ATOM 0 HD2 PRO A 63 6.630 17.512 49.394 1.00 0.00 H new ATOM 0 HD3 PRO A 63 6.771 15.814 48.986 1.00 0.00 H new ATOM 959 N PHE A 64 6.990 19.379 44.995 1.00 0.00 N ATOM 960 CA PHE A 64 6.939 20.788 44.618 1.00 0.00 C ATOM 961 C PHE A 64 5.675 21.084 43.823 1.00 0.00 C ATOM 962 O PHE A 64 4.995 20.173 43.351 1.00 0.00 O ATOM 963 CB PHE A 64 8.161 21.143 43.776 1.00 0.00 C ATOM 964 CG PHE A 64 9.306 21.691 44.588 1.00 0.00 C ATOM 965 CD1 PHE A 64 9.127 22.819 45.371 1.00 0.00 C ATOM 966 CD2 PHE A 64 10.541 21.066 44.547 1.00 0.00 C ATOM 967 CE1 PHE A 64 10.183 23.323 46.112 1.00 0.00 C ATOM 968 CE2 PHE A 64 11.596 21.569 45.288 1.00 0.00 C ATOM 969 CZ PHE A 64 11.418 22.697 46.071 1.00 0.00 C ATOM 0 H PHE A 64 7.667 18.827 44.468 1.00 0.00 H new ATOM 0 HA PHE A 64 6.933 21.388 45.528 1.00 0.00 H new ATOM 0 HB2 PHE A 64 8.496 20.254 43.242 1.00 0.00 H new ATOM 0 HB3 PHE A 64 7.874 21.878 43.024 1.00 0.00 H new ATOM 0 HD1 PHE A 64 8.164 23.306 45.404 1.00 0.00 H new ATOM 0 HD2 PHE A 64 10.681 20.186 43.937 1.00 0.00 H new ATOM 0 HE1 PHE A 64 10.044 24.204 46.721 1.00 0.00 H new ATOM 0 HE2 PHE A 64 12.559 21.081 45.256 1.00 0.00 H new ATOM 0 HZ PHE A 64 12.242 23.089 46.649 1.00 0.00 H new ATOM 979 N ASN A 65 5.377 22.368 43.665 1.00 0.00 N ATOM 980 CA ASN A 65 4.205 22.804 42.912 1.00 0.00 C ATOM 981 C ASN A 65 4.599 23.960 42.005 1.00 0.00 C ATOM 982 O ASN A 65 5.126 24.971 42.471 1.00 0.00 O ATOM 983 CB ASN A 65 3.077 23.236 43.855 1.00 0.00 C ATOM 984 CG ASN A 65 3.055 22.372 45.113 1.00 0.00 C ATOM 985 OD1 ASN A 65 2.182 21.519 45.277 1.00 0.00 O ATOM 986 ND2 ASN A 65 4.017 22.595 46.001 1.00 0.00 N ATOM 0 H ASN A 65 5.934 23.131 44.051 1.00 0.00 H new ATOM 0 HA ASN A 65 3.840 21.971 42.312 1.00 0.00 H new ATOM 0 HB2 ASN A 65 3.209 24.282 44.130 1.00 0.00 H new ATOM 0 HB3 ASN A 65 2.119 23.160 43.341 1.00 0.00 H new ATOM 0 HD21 ASN A 65 4.053 22.049 46.862 1.00 0.00 H new ATOM 0 HD22 ASN A 65 4.720 23.313 45.822 1.00 0.00 H new ATOM 993 N PHE A 66 4.371 23.800 40.708 1.00 0.00 N ATOM 994 CA PHE A 66 4.737 24.830 39.742 1.00 0.00 C ATOM 995 C PHE A 66 3.526 25.582 39.224 1.00 0.00 C ATOM 996 O PHE A 66 2.388 25.275 39.570 1.00 0.00 O ATOM 997 CB PHE A 66 5.457 24.200 38.564 1.00 0.00 C ATOM 998 CG PHE A 66 6.957 24.303 38.678 1.00 0.00 C ATOM 999 CD1 PHE A 66 7.596 25.490 38.357 1.00 0.00 C ATOM 1000 CD2 PHE A 66 7.697 23.212 39.105 1.00 0.00 C ATOM 1001 CE1 PHE A 66 8.973 25.585 38.463 1.00 0.00 C ATOM 1002 CE2 PHE A 66 9.074 23.308 39.211 1.00 0.00 C ATOM 1003 CZ PHE A 66 9.713 24.494 38.890 1.00 0.00 C ATOM 0 H PHE A 66 3.937 22.972 40.301 1.00 0.00 H new ATOM 0 HA PHE A 66 5.387 25.537 40.257 1.00 0.00 H new ATOM 0 HB2 PHE A 66 5.173 23.150 38.489 1.00 0.00 H new ATOM 0 HB3 PHE A 66 5.132 24.685 37.643 1.00 0.00 H new ATOM 0 HD1 PHE A 66 7.020 26.341 38.024 1.00 0.00 H new ATOM 0 HD2 PHE A 66 7.199 22.287 39.355 1.00 0.00 H new ATOM 0 HE1 PHE A 66 9.471 26.510 38.213 1.00 0.00 H new ATOM 0 HE2 PHE A 66 9.650 22.458 39.544 1.00 0.00 H new ATOM 0 HZ PHE A 66 10.787 24.569 38.972 1.00 0.00 H new ATOM 1013 N ARG A 67 3.801 26.567 38.370 1.00 0.00 N ATOM 1014 CA ARG A 67 2.764 27.387 37.763 1.00 0.00 C ATOM 1015 C ARG A 67 3.380 28.383 36.792 1.00 0.00 C ATOM 1016 O ARG A 67 3.842 29.449 37.196 1.00 0.00 O ATOM 1017 CB ARG A 67 1.997 28.134 38.843 1.00 0.00 C ATOM 1018 CG ARG A 67 0.741 27.373 39.229 1.00 0.00 C ATOM 1019 CD ARG A 67 -0.409 28.326 39.546 1.00 0.00 C ATOM 1020 NE ARG A 67 -1.131 28.680 38.328 1.00 0.00 N ATOM 1021 CZ ARG A 67 -2.049 29.642 38.316 1.00 0.00 C ATOM 1022 NH1 ARG A 67 -3.254 29.418 38.822 1.00 0.00 N ATOM 1023 NH2 ARG A 67 -1.762 30.830 37.799 1.00 0.00 N ATOM 0 H ARG A 67 4.748 26.815 38.083 1.00 0.00 H new ATOM 0 HA ARG A 67 2.080 26.737 37.217 1.00 0.00 H new ATOM 0 HB2 ARG A 67 2.631 28.269 39.719 1.00 0.00 H new ATOM 0 HB3 ARG A 67 1.731 29.129 38.486 1.00 0.00 H new ATOM 0 HG2 ARG A 67 0.451 26.708 38.415 1.00 0.00 H new ATOM 0 HG3 ARG A 67 0.946 26.745 40.096 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -1.091 27.859 40.257 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -0.022 29.227 40.021 1.00 0.00 H new ATOM 0 HE ARG A 67 -0.926 28.177 37.465 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -3.478 28.507 39.221 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -3.957 30.157 38.812 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -0.836 31.007 37.410 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -2.468 31.567 37.791 1.00 0.00 H new ATOM 1037 N PHE A 68 3.384 28.040 35.509 1.00 0.00 N ATOM 1038 CA PHE A 68 3.946 28.925 34.498 1.00 0.00 C ATOM 1039 C PHE A 68 2.872 29.832 33.932 1.00 0.00 C ATOM 1040 O PHE A 68 1.680 29.628 34.162 1.00 0.00 O ATOM 1041 CB PHE A 68 4.589 28.127 33.370 1.00 0.00 C ATOM 1042 CG PHE A 68 3.741 26.975 32.897 1.00 0.00 C ATOM 1043 CD1 PHE A 68 2.588 27.218 32.170 1.00 0.00 C ATOM 1044 CD2 PHE A 68 4.117 25.673 33.182 1.00 0.00 C ATOM 1045 CE1 PHE A 68 1.810 26.161 31.729 1.00 0.00 C ATOM 1046 CE2 PHE A 68 3.340 24.615 32.740 1.00 0.00 C ATOM 1047 CZ PHE A 68 2.186 24.859 32.014 1.00 0.00 C ATOM 0 H PHE A 68 3.008 27.164 35.147 1.00 0.00 H new ATOM 0 HA PHE A 68 4.714 29.533 34.977 1.00 0.00 H new ATOM 0 HB2 PHE A 68 4.786 28.793 32.530 1.00 0.00 H new ATOM 0 HB3 PHE A 68 5.553 27.745 33.708 1.00 0.00 H new ATOM 0 HD1 PHE A 68 2.295 28.233 31.947 1.00 0.00 H new ATOM 0 HD2 PHE A 68 5.016 25.483 33.749 1.00 0.00 H new ATOM 0 HE1 PHE A 68 0.910 26.352 31.163 1.00 0.00 H new ATOM 0 HE2 PHE A 68 3.634 23.600 32.961 1.00 0.00 H new ATOM 0 HZ PHE A 68 1.580 24.034 31.670 1.00 0.00 H new ATOM 1057 N LEU A 69 3.309 30.836 33.190 1.00 0.00 N ATOM 1058 CA LEU A 69 2.396 31.794 32.578 1.00 0.00 C ATOM 1059 C LEU A 69 2.823 32.062 31.141 1.00 0.00 C ATOM 1060 O LEU A 69 3.227 33.173 30.807 1.00 0.00 O ATOM 1061 CB LEU A 69 2.391 33.105 33.369 1.00 0.00 C ATOM 1062 CG LEU A 69 2.559 32.865 34.871 1.00 0.00 C ATOM 1063 CD1 LEU A 69 2.684 34.192 35.615 1.00 0.00 C ATOM 1064 CD2 LEU A 69 1.388 32.055 35.417 1.00 0.00 C ATOM 0 H LEU A 69 4.295 31.011 32.995 1.00 0.00 H new ATOM 0 HA LEU A 69 1.389 31.376 32.586 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.196 33.748 33.012 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.456 33.635 33.188 1.00 0.00 H new ATOM 0 HG LEU A 69 3.475 32.295 35.028 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.803 34.001 36.682 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.553 34.736 35.245 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.786 34.787 35.451 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.524 31.894 36.486 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.459 32.599 35.247 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.343 31.092 34.908 1.00 0.00 H new ATOM 1076 N THR A 70 2.739 31.024 30.304 1.00 0.00 N ATOM 1077 CA THR A 70 3.125 31.101 28.886 1.00 0.00 C ATOM 1078 C THR A 70 2.837 32.477 28.287 1.00 0.00 C ATOM 1079 O THR A 70 1.910 33.168 28.712 1.00 0.00 O ATOM 1080 CB THR A 70 2.379 30.029 28.094 1.00 0.00 C ATOM 1081 OG1 THR A 70 1.006 30.372 27.987 1.00 0.00 O ATOM 1082 CG2 THR A 70 2.527 28.664 28.760 1.00 0.00 C ATOM 0 H THR A 70 2.401 30.104 30.588 1.00 0.00 H new ATOM 0 HA THR A 70 4.200 30.933 28.825 1.00 0.00 H new ATOM 0 HB THR A 70 2.813 29.973 27.096 1.00 0.00 H new ATOM 0 HG1 THR A 70 0.663 30.082 27.116 1.00 0.00 H new ATOM 0 HG21 THR A 70 1.988 27.915 28.179 1.00 0.00 H new ATOM 0 HG22 THR A 70 3.582 28.395 28.808 1.00 0.00 H new ATOM 0 HG23 THR A 70 2.117 28.705 29.769 1.00 0.00 H new ATOM 1090 N GLU A 71 3.644 32.869 27.302 1.00 0.00 N ATOM 1091 CA GLU A 71 3.483 34.166 26.645 1.00 0.00 C ATOM 1092 C GLU A 71 2.031 34.375 26.235 1.00 0.00 C ATOM 1093 O GLU A 71 1.542 35.505 26.194 1.00 0.00 O ATOM 1094 CB GLU A 71 4.384 34.259 25.412 1.00 0.00 C ATOM 1095 CG GLU A 71 5.788 33.723 25.687 1.00 0.00 C ATOM 1096 CD GLU A 71 6.783 34.324 24.703 1.00 0.00 C ATOM 1097 OE1 GLU A 71 6.836 33.852 23.548 1.00 0.00 O ATOM 1098 OE2 GLU A 71 7.505 35.267 25.088 1.00 0.00 O ATOM 0 H GLU A 71 4.415 32.308 26.941 1.00 0.00 H new ATOM 0 HA GLU A 71 3.770 34.944 27.352 1.00 0.00 H new ATOM 0 HB2 GLU A 71 3.936 33.697 24.592 1.00 0.00 H new ATOM 0 HB3 GLU A 71 4.450 35.298 25.088 1.00 0.00 H new ATOM 0 HG2 GLU A 71 6.084 33.965 26.708 1.00 0.00 H new ATOM 0 HG3 GLU A 71 5.793 32.636 25.603 1.00 0.00 H new ATOM 1105 N LYS A 72 1.346 33.277 25.933 1.00 0.00 N ATOM 1106 CA LYS A 72 -0.053 33.331 25.525 1.00 0.00 C ATOM 1107 C LYS A 72 -0.933 33.740 26.700 1.00 0.00 C ATOM 1108 O LYS A 72 -1.801 34.602 26.567 1.00 0.00 O ATOM 1109 CB LYS A 72 -0.492 31.969 24.998 1.00 0.00 C ATOM 1110 CG LYS A 72 -1.516 32.114 23.876 1.00 0.00 C ATOM 1111 CD LYS A 72 -2.715 32.943 24.326 1.00 0.00 C ATOM 1112 CE LYS A 72 -3.912 32.725 23.405 1.00 0.00 C ATOM 1113 NZ LYS A 72 -4.039 33.828 22.412 1.00 0.00 N ATOM 0 H LYS A 72 1.739 32.336 25.963 1.00 0.00 H new ATOM 0 HA LYS A 72 -0.158 34.073 24.734 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.376 31.421 24.633 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -0.920 31.383 25.811 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -1.048 32.586 23.012 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -1.852 31.127 23.557 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -2.984 32.673 25.347 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -2.447 34.000 24.335 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -3.804 31.774 22.883 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -4.824 32.661 23.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -4.861 33.652 21.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -4.166 34.732 22.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -3.178 33.872 21.830 1.00 0.00 H new ATOM 1127 N GLY A 73 -0.704 33.114 27.850 1.00 0.00 N ATOM 1128 CA GLY A 73 -1.476 33.410 29.051 1.00 0.00 C ATOM 1129 C GLY A 73 -2.226 32.173 29.527 1.00 0.00 C ATOM 1130 O GLY A 73 -3.397 32.250 29.900 1.00 0.00 O ATOM 0 H GLY A 73 0.011 32.398 27.975 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -0.811 33.764 29.839 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -2.183 34.214 28.846 1.00 0.00 H new ATOM 1134 N MET A 74 -1.545 31.032 29.512 1.00 0.00 N ATOM 1135 CA MET A 74 -2.147 29.774 29.943 1.00 0.00 C ATOM 1136 C MET A 74 -1.612 29.369 31.311 1.00 0.00 C ATOM 1137 O MET A 74 -0.457 28.963 31.442 1.00 0.00 O ATOM 1138 CB MET A 74 -1.847 28.677 28.924 1.00 0.00 C ATOM 1139 CG MET A 74 -2.285 29.088 27.521 1.00 0.00 C ATOM 1140 SD MET A 74 -2.818 27.683 26.530 1.00 0.00 S ATOM 1141 CE MET A 74 -4.251 27.126 27.465 1.00 0.00 C ATOM 0 H MET A 74 -0.575 30.952 29.206 1.00 0.00 H new ATOM 0 HA MET A 74 -3.226 29.912 30.016 1.00 0.00 H new ATOM 0 HB2 MET A 74 -0.779 28.459 28.925 1.00 0.00 H new ATOM 0 HB3 MET A 74 -2.359 27.759 29.213 1.00 0.00 H new ATOM 0 HG2 MET A 74 -3.100 29.808 27.594 1.00 0.00 H new ATOM 0 HG3 MET A 74 -1.459 29.591 27.018 1.00 0.00 H new ATOM 0 HE1 MET A 74 -4.973 26.669 26.787 1.00 0.00 H new ATOM 0 HE2 MET A 74 -3.938 26.393 28.209 1.00 0.00 H new ATOM 0 HE3 MET A 74 -4.712 27.977 27.966 1.00 0.00 H new ATOM 1151 N LYS A 75 -2.458 29.482 32.330 1.00 0.00 N ATOM 1152 CA LYS A 75 -2.072 29.128 33.693 1.00 0.00 C ATOM 1153 C LYS A 75 -2.441 27.679 33.989 1.00 0.00 C ATOM 1154 O LYS A 75 -3.413 27.154 33.447 1.00 0.00 O ATOM 1155 CB LYS A 75 -2.769 30.051 34.688 1.00 0.00 C ATOM 1156 CG LYS A 75 -2.085 31.414 34.752 1.00 0.00 C ATOM 1157 CD LYS A 75 -2.286 32.196 33.458 1.00 0.00 C ATOM 1158 CE LYS A 75 -1.958 33.674 33.648 1.00 0.00 C ATOM 1159 NZ LYS A 75 -3.094 34.540 33.222 1.00 0.00 N ATOM 0 H LYS A 75 -3.417 29.816 32.238 1.00 0.00 H new ATOM 0 HA LYS A 75 -0.993 29.244 33.791 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -3.812 30.178 34.400 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -2.765 29.593 35.677 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -2.485 31.985 35.590 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -1.019 31.280 34.937 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -1.652 31.778 32.676 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -3.318 32.090 33.123 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -1.725 33.865 34.696 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -1.068 33.928 33.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -2.841 35.539 33.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -3.299 34.374 32.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -3.936 34.313 33.789 1.00 0.00 H new ATOM 1173 N ASN A 76 -1.661 27.035 34.853 1.00 0.00 N ATOM 1174 CA ASN A 76 -1.912 25.644 35.221 1.00 0.00 C ATOM 1175 C ASN A 76 -0.906 25.176 36.265 1.00 0.00 C ATOM 1176 O ASN A 76 0.304 25.271 36.061 1.00 0.00 O ATOM 1177 CB ASN A 76 -1.824 24.754 33.984 1.00 0.00 C ATOM 1178 CG ASN A 76 -3.220 24.376 33.506 1.00 0.00 C ATOM 1179 OD1 ASN A 76 -4.163 24.318 34.295 1.00 0.00 O ATOM 1180 ND2 ASN A 76 -3.352 24.116 32.211 1.00 0.00 N ATOM 0 H ASN A 76 -0.851 27.453 35.311 1.00 0.00 H new ATOM 0 HA ASN A 76 -2.914 25.574 35.645 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -1.289 25.275 33.190 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -1.255 23.854 34.215 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -4.263 23.856 31.833 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -2.542 24.177 31.594 1.00 0.00 H new ATOM 1187 N VAL A 77 -1.413 24.672 37.387 1.00 0.00 N ATOM 1188 CA VAL A 77 -0.567 24.191 38.464 1.00 0.00 C ATOM 1189 C VAL A 77 -0.090 22.771 38.178 1.00 0.00 C ATOM 1190 O VAL A 77 -0.476 22.164 37.179 1.00 0.00 O ATOM 1191 CB VAL A 77 -1.344 24.253 39.779 1.00 0.00 C ATOM 1192 CG1 VAL A 77 -2.008 25.617 39.936 1.00 0.00 C ATOM 1193 CG2 VAL A 77 -2.390 23.142 39.866 1.00 0.00 C ATOM 0 H VAL A 77 -2.413 24.588 37.570 1.00 0.00 H new ATOM 0 HA VAL A 77 0.316 24.825 38.543 1.00 0.00 H new ATOM 0 HB VAL A 77 -0.634 24.106 40.593 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -2.558 25.648 40.877 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -1.245 26.395 39.936 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -2.696 25.784 39.108 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -2.923 23.217 40.814 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -3.098 23.243 39.043 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.897 22.172 39.803 1.00 0.00 H new ATOM 1203 N PHE A 78 0.751 22.249 39.062 1.00 0.00 N ATOM 1204 CA PHE A 78 1.283 20.902 38.907 1.00 0.00 C ATOM 1205 C PHE A 78 1.722 20.350 40.254 1.00 0.00 C ATOM 1206 O PHE A 78 2.677 20.839 40.857 1.00 0.00 O ATOM 1207 CB PHE A 78 2.455 20.920 37.934 1.00 0.00 C ATOM 1208 CG PHE A 78 2.052 21.381 36.558 1.00 0.00 C ATOM 1209 CD1 PHE A 78 1.537 20.474 35.647 1.00 0.00 C ATOM 1210 CD2 PHE A 78 2.190 22.713 36.204 1.00 0.00 C ATOM 1211 CE1 PHE A 78 1.161 20.898 34.384 1.00 0.00 C ATOM 1212 CE2 PHE A 78 1.814 23.137 34.941 1.00 0.00 C ATOM 1213 CZ PHE A 78 1.300 22.230 34.030 1.00 0.00 C ATOM 0 H PHE A 78 1.079 22.739 39.894 1.00 0.00 H new ATOM 0 HA PHE A 78 0.502 20.255 38.508 1.00 0.00 H new ATOM 0 HB2 PHE A 78 3.234 21.577 38.320 1.00 0.00 H new ATOM 0 HB3 PHE A 78 2.884 19.920 37.868 1.00 0.00 H new ATOM 0 HD1 PHE A 78 1.429 19.435 35.922 1.00 0.00 H new ATOM 0 HD2 PHE A 78 2.591 23.421 36.914 1.00 0.00 H new ATOM 0 HE1 PHE A 78 0.759 20.190 33.674 1.00 0.00 H new ATOM 0 HE2 PHE A 78 1.922 24.176 34.666 1.00 0.00 H new ATOM 0 HZ PHE A 78 1.008 22.561 33.044 1.00 0.00 H new ATOM 1223 N ASP A 79 1.014 19.329 40.722 1.00 0.00 N ATOM 1224 CA ASP A 79 1.322 18.706 42.004 1.00 0.00 C ATOM 1225 C ASP A 79 2.153 17.447 41.798 1.00 0.00 C ATOM 1226 O ASP A 79 2.147 16.857 40.719 1.00 0.00 O ATOM 1227 CB ASP A 79 0.028 18.360 42.737 1.00 0.00 C ATOM 1228 CG ASP A 79 -0.224 19.355 43.862 1.00 0.00 C ATOM 1229 OD1 ASP A 79 -0.750 20.452 43.580 1.00 0.00 O ATOM 1230 OD2 ASP A 79 0.105 19.036 45.024 1.00 0.00 O ATOM 0 H ASP A 79 0.221 18.914 40.232 1.00 0.00 H new ATOM 0 HA ASP A 79 1.898 19.410 42.605 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -0.808 18.372 42.038 1.00 0.00 H new ATOM 0 HB3 ASP A 79 0.091 17.350 43.143 1.00 0.00 H new ATOM 1235 N ASP A 80 2.868 17.041 42.842 1.00 0.00 N ATOM 1236 CA ASP A 80 3.707 15.850 42.782 1.00 0.00 C ATOM 1237 C ASP A 80 4.756 15.989 41.685 1.00 0.00 C ATOM 1238 O ASP A 80 5.203 14.995 41.114 1.00 0.00 O ATOM 1239 CB ASP A 80 2.844 14.618 42.524 1.00 0.00 C ATOM 1240 CG ASP A 80 2.307 14.066 43.838 1.00 0.00 C ATOM 1241 OD1 ASP A 80 2.767 14.521 44.907 1.00 0.00 O ATOM 1242 OD2 ASP A 80 1.427 13.181 43.797 1.00 0.00 O ATOM 0 H ASP A 80 2.883 17.521 43.742 1.00 0.00 H new ATOM 0 HA ASP A 80 4.218 15.736 43.738 1.00 0.00 H new ATOM 0 HB2 ASP A 80 2.016 14.877 41.865 1.00 0.00 H new ATOM 0 HB3 ASP A 80 3.431 13.855 42.013 1.00 0.00 H new ATOM 1247 N VAL A 81 5.149 17.226 41.397 1.00 0.00 N ATOM 1248 CA VAL A 81 6.152 17.489 40.370 1.00 0.00 C ATOM 1249 C VAL A 81 7.469 16.816 40.747 1.00 0.00 C ATOM 1250 O VAL A 81 7.824 15.778 40.192 1.00 0.00 O ATOM 1251 CB VAL A 81 6.339 19.000 40.199 1.00 0.00 C ATOM 1252 CG1 VAL A 81 7.515 19.311 39.276 1.00 0.00 C ATOM 1253 CG2 VAL A 81 5.061 19.630 39.651 1.00 0.00 C ATOM 0 H VAL A 81 4.789 18.061 41.859 1.00 0.00 H new ATOM 0 HA VAL A 81 5.815 17.075 39.420 1.00 0.00 H new ATOM 0 HB VAL A 81 6.556 19.425 41.179 1.00 0.00 H new ATOM 0 HG11 VAL A 81 7.622 20.391 39.174 1.00 0.00 H new ATOM 0 HG12 VAL A 81 8.429 18.894 39.698 1.00 0.00 H new ATOM 0 HG13 VAL A 81 7.334 18.871 38.295 1.00 0.00 H new ATOM 0 HG21 VAL A 81 5.206 20.704 39.534 1.00 0.00 H new ATOM 0 HG22 VAL A 81 4.824 19.188 38.683 1.00 0.00 H new ATOM 0 HG23 VAL A 81 4.240 19.448 40.344 1.00 0.00 H new ATOM 1263 N VAL A 82 8.185 17.408 41.698 1.00 0.00 N ATOM 1264 CA VAL A 82 9.458 16.857 42.152 1.00 0.00 C ATOM 1265 C VAL A 82 9.227 15.838 43.264 1.00 0.00 C ATOM 1266 O VAL A 82 8.388 16.045 44.141 1.00 0.00 O ATOM 1267 CB VAL A 82 10.361 17.978 42.662 1.00 0.00 C ATOM 1268 CG1 VAL A 82 11.707 17.417 43.117 1.00 0.00 C ATOM 1269 CG2 VAL A 82 10.561 19.039 41.583 1.00 0.00 C ATOM 0 H VAL A 82 7.906 18.269 42.169 1.00 0.00 H new ATOM 0 HA VAL A 82 9.942 16.360 41.311 1.00 0.00 H new ATOM 0 HB VAL A 82 9.876 18.446 43.518 1.00 0.00 H new ATOM 0 HG11 VAL A 82 12.337 18.230 43.477 1.00 0.00 H new ATOM 0 HG12 VAL A 82 11.549 16.698 43.920 1.00 0.00 H new ATOM 0 HG13 VAL A 82 12.197 16.922 42.279 1.00 0.00 H new ATOM 0 HG21 VAL A 82 11.207 19.829 41.965 1.00 0.00 H new ATOM 0 HG22 VAL A 82 11.023 18.584 40.707 1.00 0.00 H new ATOM 0 HG23 VAL A 82 9.596 19.462 41.305 1.00 0.00 H new ATOM 1279 N PRO A 83 9.973 14.719 43.245 1.00 0.00 N ATOM 1280 CA PRO A 83 9.847 13.664 44.265 1.00 0.00 C ATOM 1281 C PRO A 83 10.389 14.110 45.619 1.00 0.00 C ATOM 1282 O PRO A 83 10.657 15.292 45.832 1.00 0.00 O ATOM 1283 CB PRO A 83 10.674 12.513 43.708 1.00 0.00 C ATOM 1284 CG PRO A 83 11.664 13.154 42.792 1.00 0.00 C ATOM 1285 CD PRO A 83 11.000 14.389 42.239 1.00 0.00 C ATOM 0 HA PRO A 83 8.806 13.396 44.445 1.00 0.00 H new ATOM 0 HB2 PRO A 83 11.173 11.964 44.506 1.00 0.00 H new ATOM 0 HB3 PRO A 83 10.047 11.799 43.174 1.00 0.00 H new ATOM 0 HG2 PRO A 83 12.578 13.412 43.328 1.00 0.00 H new ATOM 0 HG3 PRO A 83 11.947 12.473 41.989 1.00 0.00 H new ATOM 0 HD2 PRO A 83 11.713 15.204 42.113 1.00 0.00 H new ATOM 0 HD3 PRO A 83 10.556 14.200 41.262 1.00 0.00 H new ATOM 1293 N GLU A 84 10.551 13.155 46.530 1.00 0.00 N ATOM 1294 CA GLU A 84 11.065 13.448 47.863 1.00 0.00 C ATOM 1295 C GLU A 84 12.588 13.485 47.844 1.00 0.00 C ATOM 1296 O GLU A 84 13.213 14.182 48.642 1.00 0.00 O ATOM 1297 CB GLU A 84 10.579 12.393 48.854 1.00 0.00 C ATOM 1298 CG GLU A 84 10.991 10.990 48.416 1.00 0.00 C ATOM 1299 CD GLU A 84 11.163 10.088 49.632 1.00 0.00 C ATOM 1300 OE1 GLU A 84 10.438 10.287 50.629 1.00 0.00 O ATOM 1301 OE2 GLU A 84 12.022 9.183 49.584 1.00 0.00 O ATOM 0 H GLU A 84 10.334 12.172 46.369 1.00 0.00 H new ATOM 0 HA GLU A 84 10.695 14.425 48.175 1.00 0.00 H new ATOM 0 HB2 GLU A 84 10.989 12.603 49.842 1.00 0.00 H new ATOM 0 HB3 GLU A 84 9.494 12.445 48.941 1.00 0.00 H new ATOM 0 HG2 GLU A 84 10.236 10.573 47.749 1.00 0.00 H new ATOM 0 HG3 GLU A 84 11.923 11.036 47.853 1.00 0.00 H new ATOM 1308 N LYS A 85 13.178 12.731 46.922 1.00 0.00 N ATOM 1309 CA LYS A 85 14.630 12.675 46.787 1.00 0.00 C ATOM 1310 C LYS A 85 15.028 12.849 45.327 1.00 0.00 C ATOM 1311 O LYS A 85 15.595 11.944 44.715 1.00 0.00 O ATOM 1312 CB LYS A 85 15.151 11.342 47.317 1.00 0.00 C ATOM 1313 CG LYS A 85 15.536 11.447 48.790 1.00 0.00 C ATOM 1314 CD LYS A 85 17.037 11.672 48.955 1.00 0.00 C ATOM 1315 CE LYS A 85 17.320 12.862 49.867 1.00 0.00 C ATOM 1316 NZ LYS A 85 18.259 12.492 50.964 1.00 0.00 N ATOM 0 H LYS A 85 12.671 12.149 46.255 1.00 0.00 H new ATOM 0 HA LYS A 85 15.070 13.484 47.369 1.00 0.00 H new ATOM 0 HB2 LYS A 85 14.387 10.574 47.192 1.00 0.00 H new ATOM 0 HB3 LYS A 85 16.017 11.029 46.733 1.00 0.00 H new ATOM 0 HG2 LYS A 85 14.990 12.268 49.253 1.00 0.00 H new ATOM 0 HG3 LYS A 85 15.243 10.535 49.311 1.00 0.00 H new ATOM 0 HD2 LYS A 85 17.498 10.775 49.369 1.00 0.00 H new ATOM 0 HD3 LYS A 85 17.491 11.842 47.979 1.00 0.00 H new ATOM 0 HE2 LYS A 85 17.744 13.678 49.282 1.00 0.00 H new ATOM 0 HE3 LYS A 85 16.385 13.227 50.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 18.432 13.321 51.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 17.842 11.729 51.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 19.159 12.167 50.556 1.00 0.00 H new ATOM 1330 N TYR A 86 14.720 14.019 44.773 1.00 0.00 N ATOM 1331 CA TYR A 86 15.037 14.322 43.379 1.00 0.00 C ATOM 1332 C TYR A 86 16.486 13.973 43.066 1.00 0.00 C ATOM 1333 O TYR A 86 17.358 14.056 43.931 1.00 0.00 O ATOM 1334 CB TYR A 86 14.789 15.803 43.102 1.00 0.00 C ATOM 1335 CG TYR A 86 15.685 16.708 43.909 1.00 0.00 C ATOM 1336 CD1 TYR A 86 16.941 17.043 43.433 1.00 0.00 C ATOM 1337 CD2 TYR A 86 15.254 17.204 45.128 1.00 0.00 C ATOM 1338 CE1 TYR A 86 17.764 17.873 44.176 1.00 0.00 C ATOM 1339 CE2 TYR A 86 16.079 18.035 45.868 1.00 0.00 C ATOM 1340 CZ TYR A 86 17.329 18.365 45.389 1.00 0.00 C ATOM 1341 OH TYR A 86 18.148 19.190 46.127 1.00 0.00 O ATOM 0 H TYR A 86 14.250 14.776 45.270 1.00 0.00 H new ATOM 0 HA TYR A 86 14.392 13.720 42.739 1.00 0.00 H new ATOM 0 HB2 TYR A 86 14.943 16.000 42.041 1.00 0.00 H new ATOM 0 HB3 TYR A 86 13.748 16.040 43.323 1.00 0.00 H new ATOM 0 HD1 TYR A 86 17.279 16.657 42.483 1.00 0.00 H new ATOM 0 HD2 TYR A 86 14.275 16.943 45.502 1.00 0.00 H new ATOM 0 HE1 TYR A 86 18.744 18.134 43.806 1.00 0.00 H new ATOM 0 HE2 TYR A 86 15.744 18.424 46.818 1.00 0.00 H new ATOM 0 HH TYR A 86 17.691 19.449 46.954 1.00 0.00 H new ATOM 1351 N THR A 87 16.736 13.581 41.820 1.00 0.00 N ATOM 1352 CA THR A 87 18.079 13.217 41.383 1.00 0.00 C ATOM 1353 C THR A 87 18.448 13.982 40.118 1.00 0.00 C ATOM 1354 O THR A 87 17.857 13.768 39.059 1.00 0.00 O ATOM 1355 CB THR A 87 18.152 11.715 41.120 1.00 0.00 C ATOM 1356 OG1 THR A 87 17.708 11.000 42.262 1.00 0.00 O ATOM 1357 CG2 THR A 87 19.574 11.295 40.758 1.00 0.00 C ATOM 0 H THR A 87 16.024 13.507 41.094 1.00 0.00 H new ATOM 0 HA THR A 87 18.786 13.477 42.171 1.00 0.00 H new ATOM 0 HB THR A 87 17.502 11.482 40.277 1.00 0.00 H new ATOM 0 HG1 THR A 87 17.756 10.037 42.084 1.00 0.00 H new ATOM 0 HG21 THR A 87 19.601 10.221 40.575 1.00 0.00 H new ATOM 0 HG22 THR A 87 19.892 11.824 39.860 1.00 0.00 H new ATOM 0 HG23 THR A 87 20.246 11.540 41.580 1.00 0.00 H new ATOM 1365 N ILE A 88 19.428 14.873 40.232 1.00 0.00 N ATOM 1366 CA ILE A 88 19.875 15.671 39.093 1.00 0.00 C ATOM 1367 C ILE A 88 20.179 14.768 37.903 1.00 0.00 C ATOM 1368 O ILE A 88 21.207 14.090 37.871 1.00 0.00 O ATOM 1369 CB ILE A 88 21.118 16.473 39.476 1.00 0.00 C ATOM 1370 CG1 ILE A 88 20.803 17.419 40.632 1.00 0.00 C ATOM 1371 CG2 ILE A 88 21.648 17.257 38.278 1.00 0.00 C ATOM 1372 CD1 ILE A 88 21.491 16.968 41.918 1.00 0.00 C ATOM 0 H ILE A 88 19.928 15.061 41.101 1.00 0.00 H new ATOM 0 HA ILE A 88 19.080 16.361 38.812 1.00 0.00 H new ATOM 0 HB ILE A 88 21.891 15.774 39.796 1.00 0.00 H new ATOM 0 HG12 ILE A 88 21.127 18.428 40.378 1.00 0.00 H new ATOM 0 HG13 ILE A 88 19.725 17.460 40.788 1.00 0.00 H new ATOM 0 HG21 ILE A 88 22.533 17.820 38.574 1.00 0.00 H new ATOM 0 HG22 ILE A 88 21.910 16.565 37.477 1.00 0.00 H new ATOM 0 HG23 ILE A 88 20.880 17.946 37.926 1.00 0.00 H new ATOM 0 HD11 ILE A 88 21.248 17.661 42.723 1.00 0.00 H new ATOM 0 HD12 ILE A 88 21.147 15.968 42.184 1.00 0.00 H new ATOM 0 HD13 ILE A 88 22.570 16.952 41.767 1.00 0.00 H new ATOM 1384 N GLY A 89 19.277 14.762 36.926 1.00 0.00 N ATOM 1385 CA GLY A 89 19.444 13.942 35.731 1.00 0.00 C ATOM 1386 C GLY A 89 18.229 13.048 35.517 1.00 0.00 C ATOM 1387 O GLY A 89 18.363 11.850 35.268 1.00 0.00 O ATOM 0 H GLY A 89 18.421 15.317 36.939 1.00 0.00 H new ATOM 0 HA2 GLY A 89 19.588 14.583 34.861 1.00 0.00 H new ATOM 0 HA3 GLY A 89 20.340 13.329 35.827 1.00 0.00 H new ATOM 1391 N ALA A 90 17.041 13.638 35.614 1.00 0.00 N ATOM 1392 CA ALA A 90 15.798 12.895 35.431 1.00 0.00 C ATOM 1393 C ALA A 90 14.622 13.855 35.289 1.00 0.00 C ATOM 1394 O ALA A 90 14.780 15.068 35.424 1.00 0.00 O ATOM 1395 CB ALA A 90 15.568 11.965 36.618 1.00 0.00 C ATOM 0 H ALA A 90 16.913 14.629 35.818 1.00 0.00 H new ATOM 0 HA ALA A 90 15.877 12.301 34.521 1.00 0.00 H new ATOM 0 HB1 ALA A 90 14.639 11.414 36.474 1.00 0.00 H new ATOM 0 HB2 ALA A 90 16.398 11.263 36.696 1.00 0.00 H new ATOM 0 HB3 ALA A 90 15.503 12.553 37.534 1.00 0.00 H new ATOM 1401 N THR A 91 13.444 13.304 35.015 1.00 0.00 N ATOM 1402 CA THR A 91 12.239 14.113 34.854 1.00 0.00 C ATOM 1403 C THR A 91 11.252 13.829 35.979 1.00 0.00 C ATOM 1404 O THR A 91 11.096 12.686 36.408 1.00 0.00 O ATOM 1405 CB THR A 91 11.587 13.814 33.506 1.00 0.00 C ATOM 1406 OG1 THR A 91 12.578 13.738 32.494 1.00 0.00 O ATOM 1407 CG2 THR A 91 10.558 14.883 33.152 1.00 0.00 C ATOM 0 H THR A 91 13.297 12.301 34.900 1.00 0.00 H new ATOM 0 HA THR A 91 12.520 15.166 34.892 1.00 0.00 H new ATOM 0 HB THR A 91 11.074 12.855 33.577 1.00 0.00 H new ATOM 0 HG1 THR A 91 12.152 13.544 31.633 1.00 0.00 H new ATOM 0 HG21 THR A 91 10.107 14.649 32.188 1.00 0.00 H new ATOM 0 HG22 THR A 91 9.783 14.910 33.918 1.00 0.00 H new ATOM 0 HG23 THR A 91 11.048 15.855 33.097 1.00 0.00 H new ATOM 1415 N TYR A 92 10.583 14.877 36.450 1.00 0.00 N ATOM 1416 CA TYR A 92 9.604 14.744 37.523 1.00 0.00 C ATOM 1417 C TYR A 92 8.413 15.656 37.268 1.00 0.00 C ATOM 1418 O TYR A 92 8.523 16.877 37.374 1.00 0.00 O ATOM 1419 CB TYR A 92 10.240 15.096 38.864 1.00 0.00 C ATOM 1420 CG TYR A 92 11.643 14.564 39.011 1.00 0.00 C ATOM 1421 CD1 TYR A 92 11.860 13.200 39.105 1.00 0.00 C ATOM 1422 CD2 TYR A 92 12.715 15.438 39.054 1.00 0.00 C ATOM 1423 CE1 TYR A 92 13.149 12.712 39.243 1.00 0.00 C ATOM 1424 CE2 TYR A 92 14.003 14.948 39.192 1.00 0.00 C ATOM 1425 CZ TYR A 92 14.214 13.588 39.286 1.00 0.00 C ATOM 1426 OH TYR A 92 15.493 13.102 39.424 1.00 0.00 O ATOM 0 H TYR A 92 10.702 15.829 36.105 1.00 0.00 H new ATOM 0 HA TYR A 92 9.261 13.710 37.550 1.00 0.00 H new ATOM 0 HB2 TYR A 92 10.255 16.180 38.979 1.00 0.00 H new ATOM 0 HB3 TYR A 92 9.621 14.699 39.668 1.00 0.00 H new ATOM 0 HD1 TYR A 92 11.024 12.517 39.071 1.00 0.00 H new ATOM 0 HD2 TYR A 92 12.547 16.502 38.980 1.00 0.00 H new ATOM 0 HE1 TYR A 92 13.320 11.648 39.317 1.00 0.00 H new ATOM 0 HE2 TYR A 92 14.840 15.629 39.226 1.00 0.00 H new ATOM 0 HH TYR A 92 16.133 13.767 39.094 1.00 0.00 H new ATOM 1436 N ALA A 93 7.273 15.059 36.932 1.00 0.00 N ATOM 1437 CA ALA A 93 6.056 15.821 36.663 1.00 0.00 C ATOM 1438 C ALA A 93 4.979 14.914 36.082 1.00 0.00 C ATOM 1439 O ALA A 93 5.211 13.726 35.858 1.00 0.00 O ATOM 1440 CB ALA A 93 6.352 16.961 35.692 1.00 0.00 C ATOM 0 H ALA A 93 7.166 14.049 36.839 1.00 0.00 H new ATOM 0 HA ALA A 93 5.695 16.239 37.603 1.00 0.00 H new ATOM 0 HB1 ALA A 93 5.437 17.522 35.499 1.00 0.00 H new ATOM 0 HB2 ALA A 93 7.099 17.625 36.127 1.00 0.00 H new ATOM 0 HB3 ALA A 93 6.731 16.552 34.755 1.00 0.00 H new ATOM 1446 N PRO A 94 3.779 15.465 35.830 1.00 0.00 N ATOM 1447 CA PRO A 94 2.659 14.697 35.271 1.00 0.00 C ATOM 1448 C PRO A 94 2.813 14.467 33.772 1.00 0.00 C ATOM 1449 O PRO A 94 3.458 13.470 33.386 1.00 0.00 O ATOM 1450 CB PRO A 94 1.440 15.561 35.563 1.00 0.00 C ATOM 1451 CG PRO A 94 1.956 16.959 35.684 1.00 0.00 C ATOM 1452 CD PRO A 94 3.415 16.873 36.069 1.00 0.00 C ATOM 0 HA PRO A 94 2.592 13.700 35.707 1.00 0.00 H new ATOM 0 HB2 PRO A 94 0.704 15.483 34.763 1.00 0.00 H new ATOM 0 HB3 PRO A 94 0.947 15.245 36.482 1.00 0.00 H new ATOM 0 HG2 PRO A 94 1.839 17.494 34.741 1.00 0.00 H new ATOM 0 HG3 PRO A 94 1.393 17.512 36.436 1.00 0.00 H new ATOM 0 HD2 PRO A 94 4.024 17.548 35.468 1.00 0.00 H new ATOM 0 HD3 PRO A 94 3.567 17.150 37.112 1.00 0.00 H new