USER MOD reduce.3.24.130724 H: found=0, std=0, add=478, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 472 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 59 HIS : no HE2:sc= -2.9! C(o=-4.4!,f=-8.3!) USER MOD Set 1.2: A 60 HIS : no HD1:sc= -1.51 X(o=-4.4,f=-4.4) USER MOD Set 2.1: A 44 THR OG1 : rot -60:sc= 1.26 USER MOD Set 2.2: A 46 ASN : amide:sc= -4.42! C(o=-3.2!,f=-3.5!) USER MOD Single : A 1 MET CE :methyl -172:sc= 0 (180deg=-0.129) USER MOD Single : A 1 MET N :NH3+ -144:sc= -0.12 (180deg=-0.973) USER MOD Single : A 9 ASN : amide:sc= -0.847 X(o=-0.85,f=-0.53) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -0.171 X(o=-0.17,f=-0.13) USER MOD Single : A 16 GLN :FLIP amide:sc= 0.46 F(o=-6.9!,f=0.46) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot 180:sc= -0.0604 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 90:sc= -0.733! USER MOD Single : A 25 LYS NZ :NH3+ 164:sc= -1.99 (180deg=-2.85) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot -118:sc= -0.515 USER MOD Single : A 52 THR OG1 : rot 180:sc= -1.88 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HD1:sc= -2.56 X(o=-2.6,f=-2.7) USER MOD Single : A 62 HIS : no HD1:sc= -0.39 X(o=-0.39,f=-0.57) USER MOD Single : A 63 HIS : no HD1:sc= -0.129 X(o=-0.13,f=0) USER MOD Single : A 64 HIS : no HD1:sc= -0.46 X(o=-0.46,f=-0.037) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 59.567 4.424 39.792 1.00 1.00 N ATOM 2 CA MET A 1 60.720 3.689 39.199 1.00 1.00 C ATOM 3 C MET A 1 61.148 4.377 37.907 1.00 1.00 C ATOM 4 O MET A 1 60.338 4.579 37.002 1.00 1.00 O ATOM 5 CB MET A 1 60.306 2.245 38.908 1.00 1.00 C ATOM 6 CG MET A 1 59.790 1.594 40.193 1.00 1.00 C ATOM 7 SD MET A 1 60.742 0.092 40.532 1.00 1.00 S ATOM 8 CE MET A 1 60.074 -0.909 39.181 1.00 1.00 C ATOM 0 H1 MET A 1 59.643 4.411 40.829 1.00 1.00 H new ATOM 0 H2 MET A 1 59.574 5.409 39.457 1.00 1.00 H new ATOM 0 H3 MET A 1 58.679 3.966 39.504 1.00 1.00 H new ATOM 0 HA MET A 1 61.556 3.688 39.899 1.00 1.00 H new ATOM 0 HB2 MET A 1 59.532 2.225 38.141 1.00 1.00 H new ATOM 0 HB3 MET A 1 61.155 1.683 38.519 1.00 1.00 H new ATOM 0 HG2 MET A 1 59.879 2.290 41.027 1.00 1.00 H new ATOM 0 HG3 MET A 1 58.732 1.352 40.091 1.00 1.00 H new ATOM 0 HE1 MET A 1 60.422 -1.937 39.283 1.00 1.00 H new ATOM 0 HE2 MET A 1 58.985 -0.889 39.218 1.00 1.00 H new ATOM 0 HE3 MET A 1 60.412 -0.505 38.227 1.00 1.00 H new ATOM 20 N GLU A 2 62.426 4.735 37.828 1.00 1.00 N ATOM 21 CA GLU A 2 62.950 5.400 36.640 1.00 1.00 C ATOM 22 C GLU A 2 62.858 4.481 35.426 1.00 1.00 C ATOM 23 O GLU A 2 63.156 3.290 35.513 1.00 1.00 O ATOM 24 CB GLU A 2 64.409 5.801 36.869 1.00 1.00 C ATOM 25 CG GLU A 2 64.844 6.785 35.781 1.00 1.00 C ATOM 26 CD GLU A 2 66.343 7.044 35.882 1.00 1.00 C ATOM 27 OE1 GLU A 2 67.031 6.214 36.453 1.00 1.00 O ATOM 28 OE2 GLU A 2 66.781 8.069 35.387 1.00 1.00 O ATOM 0 H GLU A 2 63.113 4.578 38.566 1.00 1.00 H new ATOM 0 HA GLU A 2 62.352 6.292 36.452 1.00 1.00 H new ATOM 0 HB2 GLU A 2 64.522 6.257 37.853 1.00 1.00 H new ATOM 0 HB3 GLU A 2 65.047 4.918 36.852 1.00 1.00 H new ATOM 0 HG2 GLU A 2 64.601 6.383 34.797 1.00 1.00 H new ATOM 0 HG3 GLU A 2 64.297 7.722 35.886 1.00 1.00 H new ATOM 35 N GLU A 3 62.441 5.043 34.296 1.00 1.00 N ATOM 36 CA GLU A 3 62.312 4.265 33.070 1.00 1.00 C ATOM 37 C GLU A 3 63.619 4.281 32.285 1.00 1.00 C ATOM 38 O GLU A 3 64.069 3.249 31.786 1.00 1.00 O ATOM 39 CB GLU A 3 61.188 4.836 32.203 1.00 1.00 C ATOM 40 CG GLU A 3 59.892 4.885 33.016 1.00 1.00 C ATOM 41 CD GLU A 3 58.751 5.400 32.146 1.00 1.00 C ATOM 42 OE1 GLU A 3 58.971 6.353 31.418 1.00 1.00 O ATOM 43 OE2 GLU A 3 57.673 4.832 32.220 1.00 1.00 O ATOM 0 H GLU A 3 62.188 6.027 34.204 1.00 1.00 H new ATOM 0 HA GLU A 3 62.075 3.236 33.340 1.00 1.00 H new ATOM 0 HB2 GLU A 3 61.452 5.836 31.859 1.00 1.00 H new ATOM 0 HB3 GLU A 3 61.050 4.219 31.315 1.00 1.00 H new ATOM 0 HG2 GLU A 3 59.652 3.891 33.394 1.00 1.00 H new ATOM 0 HG3 GLU A 3 60.021 5.533 33.883 1.00 1.00 H new ATOM 50 N GLY A 4 64.227 5.458 32.180 1.00 1.00 N ATOM 51 CA GLY A 4 65.482 5.598 31.453 1.00 1.00 C ATOM 52 C GLY A 4 65.243 6.149 30.051 1.00 1.00 C ATOM 53 O GLY A 4 65.374 7.350 29.815 1.00 1.00 O ATOM 0 H GLY A 4 63.873 6.324 32.587 1.00 1.00 H new ATOM 0 HA2 GLY A 4 66.151 6.263 32.000 1.00 1.00 H new ATOM 0 HA3 GLY A 4 65.978 4.630 31.387 1.00 1.00 H new ATOM 57 N GLY A 5 64.892 5.263 29.125 1.00 1.00 N ATOM 58 CA GLY A 5 64.637 5.672 27.749 1.00 1.00 C ATOM 59 C GLY A 5 64.062 4.519 26.935 1.00 1.00 C ATOM 60 O GLY A 5 63.086 4.689 26.203 1.00 1.00 O ATOM 0 H GLY A 5 64.778 4.265 29.300 1.00 1.00 H new ATOM 0 HA2 GLY A 5 63.942 6.512 27.738 1.00 1.00 H new ATOM 0 HA3 GLY A 5 65.563 6.019 27.291 1.00 1.00 H new ATOM 64 N ASP A 6 64.671 3.345 27.068 1.00 1.00 N ATOM 65 CA ASP A 6 64.210 2.169 26.340 1.00 1.00 C ATOM 66 C ASP A 6 63.991 2.504 24.867 1.00 1.00 C ATOM 67 O ASP A 6 63.324 1.764 24.145 1.00 1.00 O ATOM 68 CB ASP A 6 62.903 1.657 26.947 1.00 1.00 C ATOM 69 CG ASP A 6 62.864 1.971 28.439 1.00 1.00 C ATOM 70 OD1 ASP A 6 63.779 1.560 29.135 1.00 1.00 O ATOM 71 OD2 ASP A 6 61.920 2.616 28.864 1.00 1.00 O ATOM 0 H ASP A 6 65.479 3.183 27.669 1.00 1.00 H new ATOM 0 HA ASP A 6 64.974 1.395 26.417 1.00 1.00 H new ATOM 0 HB2 ASP A 6 62.053 2.122 26.447 1.00 1.00 H new ATOM 0 HB3 ASP A 6 62.816 0.582 26.791 1.00 1.00 H new ATOM 76 N PHE A 7 64.560 3.622 24.428 1.00 1.00 N ATOM 77 CA PHE A 7 64.421 4.045 23.040 1.00 1.00 C ATOM 78 C PHE A 7 65.622 4.882 22.612 1.00 1.00 C ATOM 79 O PHE A 7 65.471 5.916 21.963 1.00 1.00 O ATOM 80 CB PHE A 7 63.140 4.863 22.868 1.00 1.00 C ATOM 81 CG PHE A 7 62.710 4.830 21.422 1.00 1.00 C ATOM 82 CD1 PHE A 7 62.058 3.701 20.910 1.00 1.00 C ATOM 83 CD2 PHE A 7 62.963 5.927 20.591 1.00 1.00 C ATOM 84 CE1 PHE A 7 61.660 3.671 19.568 1.00 1.00 C ATOM 85 CE2 PHE A 7 62.565 5.897 19.249 1.00 1.00 C ATOM 86 CZ PHE A 7 61.913 4.768 18.738 1.00 1.00 C ATOM 0 H PHE A 7 65.118 4.247 25.009 1.00 1.00 H new ATOM 0 HA PHE A 7 64.370 3.155 22.413 1.00 1.00 H new ATOM 0 HB2 PHE A 7 62.351 4.459 23.502 1.00 1.00 H new ATOM 0 HB3 PHE A 7 63.308 5.892 23.185 1.00 1.00 H new ATOM 0 HD1 PHE A 7 61.862 2.854 21.550 1.00 1.00 H new ATOM 0 HD2 PHE A 7 63.466 6.798 20.985 1.00 1.00 H new ATOM 0 HE1 PHE A 7 61.157 2.800 19.173 1.00 1.00 H new ATOM 0 HE2 PHE A 7 62.761 6.744 18.608 1.00 1.00 H new ATOM 0 HZ PHE A 7 61.605 4.744 17.703 1.00 1.00 H new ATOM 96 N ASP A 8 66.815 4.426 22.981 1.00 1.00 N ATOM 97 CA ASP A 8 68.037 5.142 22.630 1.00 1.00 C ATOM 98 C ASP A 8 69.186 4.163 22.412 1.00 1.00 C ATOM 99 O ASP A 8 70.312 4.409 22.844 1.00 1.00 O ATOM 100 CB ASP A 8 68.405 6.124 23.743 1.00 1.00 C ATOM 101 CG ASP A 8 69.301 7.228 23.190 1.00 1.00 C ATOM 102 OD1 ASP A 8 68.767 8.232 22.750 1.00 1.00 O ATOM 103 OD2 ASP A 8 70.507 7.051 23.216 1.00 1.00 O ATOM 0 H ASP A 8 66.962 3.571 23.518 1.00 1.00 H new ATOM 0 HA ASP A 8 67.862 5.692 21.705 1.00 1.00 H new ATOM 0 HB2 ASP A 8 67.501 6.558 24.170 1.00 1.00 H new ATOM 0 HB3 ASP A 8 68.917 5.598 24.549 1.00 1.00 H new ATOM 108 N ASN A 9 68.895 3.056 21.738 1.00 1.00 N ATOM 109 CA ASN A 9 69.913 2.046 21.469 1.00 1.00 C ATOM 110 C ASN A 9 70.418 2.166 20.035 1.00 1.00 C ATOM 111 O ASN A 9 71.383 2.880 19.763 1.00 1.00 O ATOM 112 CB ASN A 9 69.334 0.648 21.693 1.00 1.00 C ATOM 113 CG ASN A 9 70.316 -0.408 21.198 1.00 1.00 C ATOM 114 OD1 ASN A 9 71.449 -0.475 21.673 1.00 1.00 O ATOM 115 ND2 ASN A 9 69.946 -1.242 20.264 1.00 1.00 N ATOM 0 H ASN A 9 67.970 2.836 21.370 1.00 1.00 H new ATOM 0 HA ASN A 9 70.748 2.206 22.152 1.00 1.00 H new ATOM 0 HB2 ASN A 9 69.127 0.496 22.752 1.00 1.00 H new ATOM 0 HB3 ASN A 9 68.385 0.550 21.166 1.00 1.00 H new ATOM 0 HD21 ASN A 9 70.597 -1.951 19.927 1.00 1.00 H new ATOM 0 HD22 ASN A 9 69.006 -1.184 19.872 1.00 1.00 H new ATOM 122 N TYR A 10 69.759 1.461 19.120 1.00 1.00 N ATOM 123 CA TYR A 10 70.151 1.496 17.716 1.00 1.00 C ATOM 124 C TYR A 10 69.445 2.638 16.991 1.00 1.00 C ATOM 125 O TYR A 10 69.624 2.823 15.786 1.00 1.00 O ATOM 126 CB TYR A 10 69.800 0.168 17.043 1.00 1.00 C ATOM 127 CG TYR A 10 70.910 -0.227 16.099 1.00 1.00 C ATOM 128 CD1 TYR A 10 72.118 -0.721 16.606 1.00 1.00 C ATOM 129 CD2 TYR A 10 70.732 -0.100 14.716 1.00 1.00 C ATOM 130 CE1 TYR A 10 73.147 -1.088 15.730 1.00 1.00 C ATOM 131 CE2 TYR A 10 71.761 -0.465 13.840 1.00 1.00 C ATOM 132 CZ TYR A 10 72.969 -0.959 14.347 1.00 1.00 C ATOM 133 OH TYR A 10 73.983 -1.320 13.485 1.00 1.00 O ATOM 0 H TYR A 10 68.958 0.863 19.324 1.00 1.00 H new ATOM 0 HA TYR A 10 71.228 1.657 17.662 1.00 1.00 H new ATOM 0 HB2 TYR A 10 69.656 -0.607 17.796 1.00 1.00 H new ATOM 0 HB3 TYR A 10 68.861 0.261 16.498 1.00 1.00 H new ATOM 0 HD1 TYR A 10 72.256 -0.819 17.673 1.00 1.00 H new ATOM 0 HD2 TYR A 10 69.800 0.280 14.325 1.00 1.00 H new ATOM 0 HE1 TYR A 10 74.078 -1.471 16.121 1.00 1.00 H new ATOM 0 HE2 TYR A 10 71.623 -0.366 12.773 1.00 1.00 H new ATOM 0 HH TYR A 10 73.696 -1.169 12.560 1.00 1.00 H new ATOM 143 N TYR A 11 68.646 3.399 17.734 1.00 1.00 N ATOM 144 CA TYR A 11 67.914 4.525 17.159 1.00 1.00 C ATOM 145 C TYR A 11 67.399 4.182 15.765 1.00 1.00 C ATOM 146 O TYR A 11 67.440 5.010 14.855 1.00 1.00 O ATOM 147 CB TYR A 11 68.815 5.759 17.083 1.00 1.00 C ATOM 148 CG TYR A 11 70.162 5.373 16.524 1.00 1.00 C ATOM 149 CD1 TYR A 11 71.172 4.921 17.381 1.00 1.00 C ATOM 150 CD2 TYR A 11 70.403 5.469 15.147 1.00 1.00 C ATOM 151 CE1 TYR A 11 72.422 4.562 16.863 1.00 1.00 C ATOM 152 CE2 TYR A 11 71.654 5.111 14.630 1.00 1.00 C ATOM 153 CZ TYR A 11 72.663 4.658 15.487 1.00 1.00 C ATOM 154 OH TYR A 11 73.896 4.305 14.976 1.00 1.00 O ATOM 0 H TYR A 11 68.489 3.258 18.732 1.00 1.00 H new ATOM 0 HA TYR A 11 67.062 4.739 17.804 1.00 1.00 H new ATOM 0 HB2 TYR A 11 68.354 6.519 16.453 1.00 1.00 H new ATOM 0 HB3 TYR A 11 68.934 6.196 18.075 1.00 1.00 H new ATOM 0 HD1 TYR A 11 70.987 4.849 18.443 1.00 1.00 H new ATOM 0 HD2 TYR A 11 69.625 5.819 14.485 1.00 1.00 H new ATOM 0 HE1 TYR A 11 73.200 4.211 17.524 1.00 1.00 H new ATOM 0 HE2 TYR A 11 71.840 5.185 13.569 1.00 1.00 H new ATOM 0 HH TYR A 11 73.895 4.430 14.004 1.00 1.00 H new ATOM 164 N GLY A 12 66.917 2.956 15.608 1.00 1.00 N ATOM 165 CA GLY A 12 66.394 2.509 14.322 1.00 1.00 C ATOM 166 C GLY A 12 65.596 1.219 14.476 1.00 1.00 C ATOM 167 O GLY A 12 64.385 1.197 14.252 1.00 1.00 O ATOM 0 H GLY A 12 66.877 2.257 16.349 1.00 1.00 H new ATOM 0 HA2 GLY A 12 65.759 3.285 13.894 1.00 1.00 H new ATOM 0 HA3 GLY A 12 67.217 2.351 13.626 1.00 1.00 H new ATOM 171 N ALA A 13 66.281 0.148 14.861 1.00 1.00 N ATOM 172 CA ALA A 13 65.624 -1.142 15.042 1.00 1.00 C ATOM 173 C ALA A 13 66.657 -2.243 15.263 1.00 1.00 C ATOM 174 O ALA A 13 66.439 -3.161 16.053 1.00 1.00 O ATOM 175 CB ALA A 13 64.776 -1.475 13.813 1.00 1.00 C ATOM 0 H ALA A 13 67.283 0.146 15.053 1.00 1.00 H new ATOM 0 HA ALA A 13 64.981 -1.080 15.920 1.00 1.00 H new ATOM 0 HB1 ALA A 13 64.289 -2.440 13.957 1.00 1.00 H new ATOM 0 HB2 ALA A 13 64.018 -0.704 13.674 1.00 1.00 H new ATOM 0 HB3 ALA A 13 65.415 -1.519 12.931 1.00 1.00 H new ATOM 181 N ASP A 14 67.780 -2.144 14.560 1.00 1.00 N ATOM 182 CA ASP A 14 68.840 -3.137 14.689 1.00 1.00 C ATOM 183 C ASP A 14 68.448 -4.432 13.984 1.00 1.00 C ATOM 184 O ASP A 14 68.941 -5.508 14.323 1.00 1.00 O ATOM 185 CB ASP A 14 69.114 -3.420 16.167 1.00 1.00 C ATOM 186 CG ASP A 14 70.587 -3.759 16.367 1.00 1.00 C ATOM 187 OD1 ASP A 14 71.108 -4.538 15.585 1.00 1.00 O ATOM 188 OD2 ASP A 14 71.173 -3.236 17.301 1.00 1.00 O ATOM 0 H ASP A 14 67.979 -1.392 13.900 1.00 1.00 H new ATOM 0 HA ASP A 14 69.742 -2.741 14.223 1.00 1.00 H new ATOM 0 HB2 ASP A 14 68.847 -2.551 16.768 1.00 1.00 H new ATOM 0 HB3 ASP A 14 68.492 -4.247 16.509 1.00 1.00 H new ATOM 193 N ASN A 15 67.558 -4.321 13.003 1.00 1.00 N ATOM 194 CA ASN A 15 67.108 -5.490 12.258 1.00 1.00 C ATOM 195 C ASN A 15 66.908 -5.143 10.786 1.00 1.00 C ATOM 196 O ASN A 15 66.233 -5.866 10.053 1.00 1.00 O ATOM 197 CB ASN A 15 65.793 -6.008 12.843 1.00 1.00 C ATOM 198 CG ASN A 15 66.044 -6.645 14.206 1.00 1.00 C ATOM 199 OD1 ASN A 15 65.499 -6.195 15.213 1.00 1.00 O ATOM 200 ND2 ASN A 15 66.845 -7.672 14.299 1.00 1.00 N ATOM 0 H ASN A 15 67.137 -3.440 12.707 1.00 1.00 H new ATOM 0 HA ASN A 15 67.872 -6.264 12.338 1.00 1.00 H new ATOM 0 HB2 ASN A 15 65.081 -5.188 12.941 1.00 1.00 H new ATOM 0 HB3 ASN A 15 65.347 -6.738 12.167 1.00 1.00 H new ATOM 0 HD21 ASN A 15 67.019 -8.102 15.207 1.00 1.00 H new ATOM 0 HD22 ASN A 15 67.296 -8.044 13.463 1.00 1.00 H new ATOM 207 N GLN A 16 67.501 -4.032 10.359 1.00 1.00 N ATOM 208 CA GLN A 16 67.382 -3.598 8.972 1.00 1.00 C ATOM 209 C GLN A 16 68.205 -4.499 8.057 1.00 1.00 C ATOM 210 O GLN A 16 68.443 -4.170 6.894 1.00 1.00 O ATOM 211 CB GLN A 16 67.862 -2.153 8.833 1.00 1.00 C ATOM 212 CG GLN A 16 67.159 -1.279 9.875 1.00 1.00 C ATOM 213 CD GLN A 16 68.164 -0.806 10.920 1.00 1.00 C ATOM 214 OE1 GLN A 16 68.522 -1.613 11.881 1.00 1.00 O flip ATOM 215 NE2 GLN A 16 68.635 0.331 10.860 1.00 1.00 N flip ATOM 0 H GLN A 16 68.065 -3.420 10.949 1.00 1.00 H new ATOM 0 HA GLN A 16 66.334 -3.662 8.680 1.00 1.00 H new ATOM 0 HB2 GLN A 16 68.942 -2.103 8.970 1.00 1.00 H new ATOM 0 HB3 GLN A 16 67.650 -1.783 7.830 1.00 1.00 H new ATOM 0 HG2 GLN A 16 66.695 -0.420 9.389 1.00 1.00 H new ATOM 0 HG3 GLN A 16 66.360 -1.843 10.356 1.00 1.00 H new ATOM 0 HE21 GLN A 16 68.354 0.960 10.108 1.00 1.00 H new ATOM 0 HE22 GLN A 16 69.306 0.643 11.562 1.00 1.00 H new ATOM 224 N SER A 17 68.638 -5.638 8.588 1.00 1.00 N ATOM 225 CA SER A 17 69.434 -6.579 7.810 1.00 1.00 C ATOM 226 C SER A 17 68.569 -7.733 7.315 1.00 1.00 C ATOM 227 O SER A 17 68.581 -8.067 6.130 1.00 1.00 O ATOM 228 CB SER A 17 70.578 -7.128 8.664 1.00 1.00 C ATOM 229 OG SER A 17 71.805 -6.960 7.968 1.00 1.00 O ATOM 0 H SER A 17 68.452 -5.930 9.548 1.00 1.00 H new ATOM 0 HA SER A 17 69.844 -6.051 6.949 1.00 1.00 H new ATOM 0 HB2 SER A 17 70.615 -6.607 9.621 1.00 1.00 H new ATOM 0 HB3 SER A 17 70.411 -8.183 8.881 1.00 1.00 H new ATOM 0 HG SER A 17 72.541 -7.309 8.513 1.00 1.00 H new ATOM 235 N GLU A 18 67.818 -8.337 8.230 1.00 1.00 N ATOM 236 CA GLU A 18 66.948 -9.453 7.875 1.00 1.00 C ATOM 237 C GLU A 18 67.657 -10.400 6.911 1.00 1.00 C ATOM 238 O GLU A 18 67.490 -10.302 5.695 1.00 1.00 O ATOM 239 CB GLU A 18 65.665 -8.930 7.228 1.00 1.00 C ATOM 240 CG GLU A 18 64.594 -10.023 7.259 1.00 1.00 C ATOM 241 CD GLU A 18 63.305 -9.509 6.629 1.00 1.00 C ATOM 242 OE1 GLU A 18 63.381 -8.932 5.557 1.00 1.00 O ATOM 243 OE2 GLU A 18 62.259 -9.698 7.229 1.00 1.00 O ATOM 0 H GLU A 18 67.794 -8.075 9.216 1.00 1.00 H new ATOM 0 HA GLU A 18 66.699 -9.999 8.785 1.00 1.00 H new ATOM 0 HB2 GLU A 18 65.312 -8.046 7.758 1.00 1.00 H new ATOM 0 HB3 GLU A 18 65.861 -8.628 6.199 1.00 1.00 H new ATOM 0 HG2 GLU A 18 64.946 -10.903 6.721 1.00 1.00 H new ATOM 0 HG3 GLU A 18 64.408 -10.332 8.288 1.00 1.00 H new ATOM 250 N CYS A 19 68.450 -11.313 7.462 1.00 1.00 N ATOM 251 CA CYS A 19 69.179 -12.272 6.641 1.00 1.00 C ATOM 252 C CYS A 19 69.774 -13.377 7.508 1.00 1.00 C ATOM 253 O CYS A 19 70.990 -13.562 7.546 1.00 1.00 O ATOM 254 CB CYS A 19 70.298 -11.562 5.878 1.00 1.00 C ATOM 255 SG CYS A 19 70.799 -12.571 4.461 1.00 1.00 S ATOM 0 H CYS A 19 68.603 -11.409 8.466 1.00 1.00 H new ATOM 0 HA CYS A 19 68.482 -12.718 5.932 1.00 1.00 H new ATOM 0 HB2 CYS A 19 69.957 -10.584 5.539 1.00 1.00 H new ATOM 0 HB3 CYS A 19 71.150 -11.392 6.536 1.00 1.00 H new ATOM 0 HG CYS A 19 71.749 -11.966 3.812 1.00 1.00 H new ATOM 261 N GLU A 20 68.908 -14.107 8.204 1.00 1.00 N ATOM 262 CA GLU A 20 69.358 -15.190 9.069 1.00 1.00 C ATOM 263 C GLU A 20 69.840 -16.374 8.238 1.00 1.00 C ATOM 264 O GLU A 20 69.524 -17.525 8.539 1.00 1.00 O ATOM 265 CB GLU A 20 68.214 -15.634 9.981 1.00 1.00 C ATOM 266 CG GLU A 20 68.782 -16.116 11.315 1.00 1.00 C ATOM 267 CD GLU A 20 69.000 -14.929 12.249 1.00 1.00 C ATOM 268 OE1 GLU A 20 68.094 -14.120 12.366 1.00 1.00 O ATOM 269 OE2 GLU A 20 70.068 -14.847 12.832 1.00 1.00 O ATOM 0 H GLU A 20 67.898 -13.969 8.186 1.00 1.00 H new ATOM 0 HA GLU A 20 70.188 -14.827 9.676 1.00 1.00 H new ATOM 0 HB2 GLU A 20 67.524 -14.806 10.145 1.00 1.00 H new ATOM 0 HB3 GLU A 20 67.645 -16.433 9.506 1.00 1.00 H new ATOM 0 HG2 GLU A 20 68.098 -16.830 11.774 1.00 1.00 H new ATOM 0 HG3 GLU A 20 69.725 -16.638 11.151 1.00 1.00 H new ATOM 276 N TYR A 21 70.608 -16.085 7.193 1.00 1.00 N ATOM 277 CA TYR A 21 71.130 -17.134 6.325 1.00 1.00 C ATOM 278 C TYR A 21 69.994 -18.005 5.796 1.00 1.00 C ATOM 279 O TYR A 21 69.405 -18.792 6.537 1.00 1.00 O ATOM 280 CB TYR A 21 72.125 -18.003 7.098 1.00 1.00 C ATOM 281 CG TYR A 21 73.449 -17.283 7.200 1.00 1.00 C ATOM 282 CD1 TYR A 21 73.581 -16.183 8.055 1.00 1.00 C ATOM 283 CD2 TYR A 21 74.542 -17.715 6.440 1.00 1.00 C ATOM 284 CE1 TYR A 21 74.808 -15.515 8.150 1.00 1.00 C ATOM 285 CE2 TYR A 21 75.768 -17.047 6.535 1.00 1.00 C ATOM 286 CZ TYR A 21 75.901 -15.947 7.390 1.00 1.00 C ATOM 287 OH TYR A 21 77.111 -15.289 7.485 1.00 1.00 O ATOM 0 H TYR A 21 70.882 -15.139 6.928 1.00 1.00 H new ATOM 0 HA TYR A 21 71.636 -16.665 5.481 1.00 1.00 H new ATOM 0 HB2 TYR A 21 71.739 -18.219 8.094 1.00 1.00 H new ATOM 0 HB3 TYR A 21 72.257 -18.960 6.593 1.00 1.00 H new ATOM 0 HD1 TYR A 21 72.737 -15.850 8.641 1.00 1.00 H new ATOM 0 HD2 TYR A 21 74.439 -18.564 5.780 1.00 1.00 H new ATOM 0 HE1 TYR A 21 74.911 -14.666 8.810 1.00 1.00 H new ATOM 0 HE2 TYR A 21 76.611 -17.380 5.949 1.00 1.00 H new ATOM 0 HH TYR A 21 77.764 -15.717 6.892 1.00 1.00 H new ATOM 297 N THR A 22 69.695 -17.858 4.510 1.00 1.00 N ATOM 298 CA THR A 22 68.628 -18.636 3.891 1.00 1.00 C ATOM 299 C THR A 22 67.263 -18.129 4.343 1.00 1.00 C ATOM 300 O THR A 22 66.227 -18.624 3.897 1.00 1.00 O ATOM 301 CB THR A 22 68.775 -20.114 4.262 1.00 1.00 C ATOM 302 OG1 THR A 22 70.115 -20.369 4.658 1.00 1.00 O ATOM 303 CG2 THR A 22 68.421 -20.983 3.055 1.00 1.00 C ATOM 0 H THR A 22 70.172 -17.213 3.880 1.00 1.00 H new ATOM 0 HA THR A 22 68.704 -18.524 2.809 1.00 1.00 H new ATOM 0 HB THR A 22 68.102 -20.352 5.085 1.00 1.00 H new ATOM 0 HG1 THR A 22 70.202 -20.233 5.625 1.00 1.00 H new ATOM 0 HG21 THR A 22 68.526 -22.035 3.321 1.00 1.00 H new ATOM 0 HG22 THR A 22 67.392 -20.786 2.754 1.00 1.00 H new ATOM 0 HG23 THR A 22 69.092 -20.749 2.229 1.00 1.00 H new ATOM 311 N ASP A 23 67.271 -17.139 5.230 1.00 1.00 N ATOM 312 CA ASP A 23 66.028 -16.568 5.739 1.00 1.00 C ATOM 313 C ASP A 23 65.778 -15.196 5.122 1.00 1.00 C ATOM 314 O ASP A 23 65.128 -14.343 5.726 1.00 1.00 O ATOM 315 CB ASP A 23 66.101 -16.440 7.261 1.00 1.00 C ATOM 316 CG ASP A 23 64.705 -16.220 7.834 1.00 1.00 C ATOM 317 OD1 ASP A 23 63.829 -15.836 7.076 1.00 1.00 O ATOM 318 OD2 ASP A 23 64.532 -16.438 9.020 1.00 1.00 O ATOM 0 H ASP A 23 68.119 -16.717 5.610 1.00 1.00 H new ATOM 0 HA ASP A 23 65.206 -17.230 5.468 1.00 1.00 H new ATOM 0 HB2 ASP A 23 66.541 -17.341 7.689 1.00 1.00 H new ATOM 0 HB3 ASP A 23 66.750 -15.608 7.533 1.00 1.00 H new ATOM 323 N TRP A 24 66.297 -14.991 3.916 1.00 1.00 N ATOM 324 CA TRP A 24 66.124 -13.718 3.226 1.00 1.00 C ATOM 325 C TRP A 24 65.030 -13.827 2.169 1.00 1.00 C ATOM 326 O TRP A 24 64.671 -12.837 1.530 1.00 1.00 O ATOM 327 CB TRP A 24 67.438 -13.300 2.562 1.00 1.00 C ATOM 328 CG TRP A 24 67.794 -14.287 1.497 1.00 1.00 C ATOM 329 CD1 TRP A 24 68.308 -15.519 1.720 1.00 1.00 C ATOM 330 CD2 TRP A 24 67.671 -14.150 0.052 1.00 1.00 C ATOM 331 NE1 TRP A 24 68.510 -16.145 0.504 1.00 1.00 N ATOM 332 CE2 TRP A 24 68.132 -15.342 -0.554 1.00 1.00 C ATOM 333 CE3 TRP A 24 67.211 -13.116 -0.784 1.00 1.00 C ATOM 334 CZ2 TRP A 24 68.136 -15.504 -1.941 1.00 1.00 C ATOM 335 CZ3 TRP A 24 67.212 -13.275 -2.179 1.00 1.00 C ATOM 336 CH2 TRP A 24 67.674 -14.467 -2.756 1.00 1.00 C ATOM 0 H TRP A 24 66.837 -15.685 3.399 1.00 1.00 H new ATOM 0 HA TRP A 24 65.833 -12.966 3.959 1.00 1.00 H new ATOM 0 HB2 TRP A 24 67.339 -12.304 2.131 1.00 1.00 H new ATOM 0 HB3 TRP A 24 68.233 -13.248 3.306 1.00 1.00 H new ATOM 0 HD1 TRP A 24 68.525 -15.944 2.689 1.00 1.00 H new ATOM 0 HE1 TRP A 24 68.892 -17.085 0.401 1.00 1.00 H new ATOM 0 HE3 TRP A 24 66.855 -12.194 -0.350 1.00 1.00 H new ATOM 0 HZ2 TRP A 24 68.493 -16.424 -2.380 1.00 1.00 H new ATOM 0 HZ3 TRP A 24 66.855 -12.475 -2.811 1.00 1.00 H new ATOM 0 HH2 TRP A 24 67.673 -14.583 -3.830 1.00 1.00 H new ATOM 347 N LYS A 25 64.504 -15.034 1.990 1.00 1.00 N ATOM 348 CA LYS A 25 63.451 -15.259 1.006 1.00 1.00 C ATOM 349 C LYS A 25 62.374 -16.178 1.575 1.00 1.00 C ATOM 350 O LYS A 25 61.503 -16.654 0.847 1.00 1.00 O ATOM 351 CB LYS A 25 64.037 -15.880 -0.266 1.00 1.00 C ATOM 352 CG LYS A 25 65.175 -16.840 0.096 1.00 1.00 C ATOM 353 CD LYS A 25 64.656 -17.920 1.048 1.00 1.00 C ATOM 354 CE LYS A 25 65.630 -19.098 1.062 1.00 1.00 C ATOM 355 NZ LYS A 25 67.029 -18.586 1.077 1.00 1.00 N ATOM 0 H LYS A 25 64.787 -15.866 2.509 1.00 1.00 H new ATOM 0 HA LYS A 25 63.002 -14.297 0.761 1.00 1.00 H new ATOM 0 HB2 LYS A 25 63.259 -16.414 -0.811 1.00 1.00 H new ATOM 0 HB3 LYS A 25 64.408 -15.096 -0.926 1.00 1.00 H new ATOM 0 HG2 LYS A 25 65.577 -17.300 -0.807 1.00 1.00 H new ATOM 0 HG3 LYS A 25 65.992 -16.291 0.564 1.00 1.00 H new ATOM 0 HD2 LYS A 25 64.547 -17.512 2.053 1.00 1.00 H new ATOM 0 HD3 LYS A 25 63.668 -18.255 0.731 1.00 1.00 H new ATOM 0 HE2 LYS A 25 65.450 -19.722 1.938 1.00 1.00 H new ATOM 0 HE3 LYS A 25 65.471 -19.726 0.185 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 67.676 -19.351 1.356 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 67.284 -18.246 0.128 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 67.105 -17.803 1.757 1.00 1.00 H new ATOM 369 N SER A 26 62.441 -16.423 2.879 1.00 1.00 N ATOM 370 CA SER A 26 61.465 -17.287 3.536 1.00 1.00 C ATOM 371 C SER A 26 60.378 -16.453 4.207 1.00 1.00 C ATOM 372 O SER A 26 59.203 -16.550 3.855 1.00 1.00 O ATOM 373 CB SER A 26 62.161 -18.158 4.581 1.00 1.00 C ATOM 374 OG SER A 26 61.837 -19.522 4.345 1.00 1.00 O ATOM 0 H SER A 26 63.155 -16.039 3.499 1.00 1.00 H new ATOM 0 HA SER A 26 61.004 -17.924 2.781 1.00 1.00 H new ATOM 0 HB2 SER A 26 63.240 -18.014 4.531 1.00 1.00 H new ATOM 0 HB3 SER A 26 61.847 -17.865 5.583 1.00 1.00 H new ATOM 0 HG SER A 26 62.283 -20.084 5.012 1.00 1.00 H new ATOM 380 N SER A 27 60.779 -15.637 5.176 1.00 1.00 N ATOM 381 CA SER A 27 59.829 -14.791 5.890 1.00 1.00 C ATOM 382 C SER A 27 59.409 -13.608 5.023 1.00 1.00 C ATOM 383 O SER A 27 58.911 -12.601 5.530 1.00 1.00 O ATOM 384 CB SER A 27 60.458 -14.279 7.186 1.00 1.00 C ATOM 385 OG SER A 27 59.471 -14.253 8.208 1.00 1.00 O ATOM 0 H SER A 27 61.747 -15.543 5.483 1.00 1.00 H new ATOM 0 HA SER A 27 58.946 -15.386 6.125 1.00 1.00 H new ATOM 0 HB2 SER A 27 61.287 -14.923 7.481 1.00 1.00 H new ATOM 0 HB3 SER A 27 60.868 -13.281 7.035 1.00 1.00 H new ATOM 0 HG SER A 27 59.871 -13.927 9.041 1.00 1.00 H new ATOM 391 N GLY A 28 59.613 -13.735 3.717 1.00 1.00 N ATOM 392 CA GLY A 28 59.251 -12.669 2.790 1.00 1.00 C ATOM 393 C GLY A 28 58.597 -13.237 1.535 1.00 1.00 C ATOM 394 O GLY A 28 58.912 -12.825 0.418 1.00 1.00 O ATOM 0 H GLY A 28 60.024 -14.559 3.278 1.00 1.00 H new ATOM 0 HA2 GLY A 28 58.568 -11.974 3.278 1.00 1.00 H new ATOM 0 HA3 GLY A 28 60.141 -12.102 2.516 1.00 1.00 H new ATOM 398 N ALA A 29 57.687 -14.186 1.726 1.00 1.00 N ATOM 399 CA ALA A 29 56.995 -14.805 0.601 1.00 1.00 C ATOM 400 C ALA A 29 55.511 -14.972 0.911 1.00 1.00 C ATOM 401 O ALA A 29 54.712 -15.273 0.025 1.00 1.00 O ATOM 402 CB ALA A 29 57.611 -16.172 0.298 1.00 1.00 C ATOM 0 H ALA A 29 57.413 -14.541 2.642 1.00 1.00 H new ATOM 0 HA ALA A 29 57.102 -14.157 -0.269 1.00 1.00 H new ATOM 0 HB1 ALA A 29 57.089 -16.628 -0.543 1.00 1.00 H new ATOM 0 HB2 ALA A 29 58.665 -16.049 0.048 1.00 1.00 H new ATOM 0 HB3 ALA A 29 57.519 -16.815 1.174 1.00 1.00 H new ATOM 408 N LEU A 30 55.149 -14.773 2.174 1.00 1.00 N ATOM 409 CA LEU A 30 53.757 -14.904 2.590 1.00 1.00 C ATOM 410 C LEU A 30 53.377 -13.786 3.554 1.00 1.00 C ATOM 411 O LEU A 30 52.202 -13.597 3.870 1.00 1.00 O ATOM 412 CB LEU A 30 53.537 -16.261 3.263 1.00 1.00 C ATOM 413 CG LEU A 30 54.497 -16.407 4.445 1.00 1.00 C ATOM 414 CD1 LEU A 30 53.702 -16.405 5.752 1.00 1.00 C ATOM 415 CD2 LEU A 30 55.263 -17.725 4.318 1.00 1.00 C ATOM 0 H LEU A 30 55.795 -14.522 2.923 1.00 1.00 H new ATOM 0 HA LEU A 30 53.125 -14.833 1.704 1.00 1.00 H new ATOM 0 HB2 LEU A 30 52.506 -16.346 3.606 1.00 1.00 H new ATOM 0 HB3 LEU A 30 53.701 -17.065 2.546 1.00 1.00 H new ATOM 0 HG LEU A 30 55.201 -15.575 4.446 1.00 1.00 H new ATOM 0 HD11 LEU A 30 54.386 -16.509 6.594 1.00 1.00 H new ATOM 0 HD12 LEU A 30 53.154 -15.467 5.843 1.00 1.00 H new ATOM 0 HD13 LEU A 30 52.998 -17.237 5.751 1.00 1.00 H new ATOM 0 HD21 LEU A 30 55.948 -17.831 5.160 1.00 1.00 H new ATOM 0 HD22 LEU A 30 54.558 -18.557 4.317 1.00 1.00 H new ATOM 0 HD23 LEU A 30 55.830 -17.728 3.387 1.00 1.00 H new ATOM 427 N ILE A 31 54.378 -13.047 4.020 1.00 1.00 N ATOM 428 CA ILE A 31 54.136 -11.949 4.949 1.00 1.00 C ATOM 429 C ILE A 31 53.484 -10.762 4.231 1.00 1.00 C ATOM 430 O ILE A 31 52.576 -10.132 4.774 1.00 1.00 O ATOM 431 CB ILE A 31 55.460 -11.536 5.623 1.00 1.00 C ATOM 432 CG1 ILE A 31 55.461 -12.040 7.069 1.00 1.00 C ATOM 433 CG2 ILE A 31 55.633 -10.009 5.628 1.00 1.00 C ATOM 434 CD1 ILE A 31 55.290 -13.560 7.082 1.00 1.00 C ATOM 0 H ILE A 31 55.358 -13.187 3.772 1.00 1.00 H new ATOM 0 HA ILE A 31 53.443 -12.283 5.721 1.00 1.00 H new ATOM 0 HB ILE A 31 56.283 -11.974 5.059 1.00 1.00 H new ATOM 0 HG12 ILE A 31 56.394 -11.765 7.560 1.00 1.00 H new ATOM 0 HG13 ILE A 31 54.654 -11.568 7.630 1.00 1.00 H new ATOM 0 HG21 ILE A 31 56.576 -9.751 6.110 1.00 1.00 H new ATOM 0 HG22 ILE A 31 55.637 -9.640 4.602 1.00 1.00 H new ATOM 0 HG23 ILE A 31 54.809 -9.551 6.175 1.00 1.00 H new ATOM 0 HD11 ILE A 31 55.291 -13.917 8.112 1.00 1.00 H new ATOM 0 HD12 ILE A 31 54.345 -13.824 6.607 1.00 1.00 H new ATOM 0 HD13 ILE A 31 56.112 -14.023 6.536 1.00 1.00 H new ATOM 446 N PRO A 32 53.922 -10.443 3.037 1.00 1.00 N ATOM 447 CA PRO A 32 53.362 -9.309 2.258 1.00 1.00 C ATOM 448 C PRO A 32 52.155 -9.724 1.421 1.00 1.00 C ATOM 449 O PRO A 32 51.848 -9.098 0.406 1.00 1.00 O ATOM 450 CB PRO A 32 54.531 -8.894 1.367 1.00 1.00 C ATOM 451 CG PRO A 32 55.346 -10.136 1.162 1.00 1.00 C ATOM 452 CD PRO A 32 54.996 -11.116 2.291 1.00 1.00 C ATOM 0 HA PRO A 32 52.992 -8.506 2.896 1.00 1.00 H new ATOM 0 HB2 PRO A 32 54.177 -8.497 0.416 1.00 1.00 H new ATOM 0 HB3 PRO A 32 55.124 -8.110 1.839 1.00 1.00 H new ATOM 0 HG2 PRO A 32 55.130 -10.579 0.190 1.00 1.00 H new ATOM 0 HG3 PRO A 32 56.410 -9.901 1.175 1.00 1.00 H new ATOM 0 HD2 PRO A 32 54.664 -12.076 1.896 1.00 1.00 H new ATOM 0 HD3 PRO A 32 55.859 -11.314 2.927 1.00 1.00 H new ATOM 460 N ALA A 33 51.475 -10.782 1.858 1.00 1.00 N ATOM 461 CA ALA A 33 50.300 -11.279 1.148 1.00 1.00 C ATOM 462 C ALA A 33 49.091 -11.320 2.077 1.00 1.00 C ATOM 463 O ALA A 33 48.011 -10.842 1.727 1.00 1.00 O ATOM 464 CB ALA A 33 50.574 -12.682 0.605 1.00 1.00 C ATOM 0 H ALA A 33 51.717 -11.309 2.697 1.00 1.00 H new ATOM 0 HA ALA A 33 50.086 -10.603 0.320 1.00 1.00 H new ATOM 0 HB1 ALA A 33 49.693 -13.046 0.077 1.00 1.00 H new ATOM 0 HB2 ALA A 33 51.420 -12.648 -0.081 1.00 1.00 H new ATOM 0 HB3 ALA A 33 50.804 -13.354 1.432 1.00 1.00 H new ATOM 470 N ILE A 34 49.280 -11.893 3.261 1.00 1.00 N ATOM 471 CA ILE A 34 48.200 -11.991 4.236 1.00 1.00 C ATOM 472 C ILE A 34 48.382 -10.960 5.344 1.00 1.00 C ATOM 473 O ILE A 34 47.467 -10.196 5.651 1.00 1.00 O ATOM 474 CB ILE A 34 48.167 -13.394 4.842 1.00 1.00 C ATOM 475 CG1 ILE A 34 49.564 -14.011 4.777 1.00 1.00 C ATOM 476 CG2 ILE A 34 47.187 -14.267 4.056 1.00 1.00 C ATOM 477 CD1 ILE A 34 49.570 -15.330 5.546 1.00 1.00 C ATOM 0 H ILE A 34 50.166 -12.295 3.568 1.00 1.00 H new ATOM 0 HA ILE A 34 47.257 -11.795 3.725 1.00 1.00 H new ATOM 0 HB ILE A 34 47.845 -13.332 5.882 1.00 1.00 H new ATOM 0 HG12 ILE A 34 49.851 -14.181 3.739 1.00 1.00 H new ATOM 0 HG13 ILE A 34 50.297 -13.325 5.203 1.00 1.00 H new ATOM 0 HG21 ILE A 34 47.164 -15.267 4.488 1.00 1.00 H new ATOM 0 HG22 ILE A 34 46.190 -13.828 4.103 1.00 1.00 H new ATOM 0 HG23 ILE A 34 47.508 -14.328 3.016 1.00 1.00 H new ATOM 0 HD11 ILE A 34 50.565 -15.773 5.501 1.00 1.00 H new ATOM 0 HD12 ILE A 34 49.301 -15.146 6.586 1.00 1.00 H new ATOM 0 HD13 ILE A 34 48.848 -16.014 5.100 1.00 1.00 H new ATOM 489 N TYR A 35 49.570 -10.943 5.940 1.00 1.00 N ATOM 490 CA TYR A 35 49.862 -9.999 7.012 1.00 1.00 C ATOM 491 C TYR A 35 49.406 -8.595 6.627 1.00 1.00 C ATOM 492 O TYR A 35 49.285 -7.715 7.480 1.00 1.00 O ATOM 493 CB TYR A 35 51.363 -9.987 7.305 1.00 1.00 C ATOM 494 CG TYR A 35 51.585 -9.894 8.795 1.00 1.00 C ATOM 495 CD1 TYR A 35 51.364 -11.011 9.608 1.00 1.00 C ATOM 496 CD2 TYR A 35 52.013 -8.687 9.364 1.00 1.00 C ATOM 497 CE1 TYR A 35 51.570 -10.923 10.990 1.00 1.00 C ATOM 498 CE2 TYR A 35 52.219 -8.599 10.745 1.00 1.00 C ATOM 499 CZ TYR A 35 51.998 -9.717 11.558 1.00 1.00 C ATOM 500 OH TYR A 35 52.201 -9.631 12.921 1.00 1.00 O ATOM 0 H TYR A 35 50.341 -11.567 5.701 1.00 1.00 H new ATOM 0 HA TYR A 35 49.321 -10.314 7.905 1.00 1.00 H new ATOM 0 HB2 TYR A 35 51.828 -10.892 6.913 1.00 1.00 H new ATOM 0 HB3 TYR A 35 51.835 -9.143 6.803 1.00 1.00 H new ATOM 0 HD1 TYR A 35 51.034 -11.941 9.169 1.00 1.00 H new ATOM 0 HD2 TYR A 35 52.184 -7.825 8.736 1.00 1.00 H new ATOM 0 HE1 TYR A 35 51.399 -11.785 11.618 1.00 1.00 H new ATOM 0 HE2 TYR A 35 52.548 -7.669 11.184 1.00 1.00 H new ATOM 0 HH TYR A 35 52.498 -8.726 13.151 1.00 1.00 H new ATOM 510 N MET A 36 49.156 -8.394 5.338 1.00 1.00 N ATOM 511 CA MET A 36 48.713 -7.093 4.849 1.00 1.00 C ATOM 512 C MET A 36 47.235 -6.880 5.157 1.00 1.00 C ATOM 513 O MET A 36 46.859 -5.895 5.793 1.00 1.00 O ATOM 514 CB MET A 36 48.941 -6.998 3.339 1.00 1.00 C ATOM 515 CG MET A 36 50.279 -7.649 2.982 1.00 1.00 C ATOM 516 SD MET A 36 51.065 -6.717 1.645 1.00 1.00 S ATOM 517 CE MET A 36 51.950 -5.530 2.685 1.00 1.00 C ATOM 0 H MET A 36 49.251 -9.109 4.617 1.00 1.00 H new ATOM 0 HA MET A 36 49.292 -6.319 5.353 1.00 1.00 H new ATOM 0 HB2 MET A 36 48.130 -7.494 2.806 1.00 1.00 H new ATOM 0 HB3 MET A 36 48.937 -5.954 3.025 1.00 1.00 H new ATOM 0 HG2 MET A 36 50.930 -7.671 3.856 1.00 1.00 H new ATOM 0 HG3 MET A 36 50.122 -8.683 2.676 1.00 1.00 H new ATOM 0 HE1 MET A 36 52.514 -4.843 2.054 1.00 1.00 H new ATOM 0 HE2 MET A 36 51.235 -4.967 3.285 1.00 1.00 H new ATOM 0 HE3 MET A 36 52.635 -6.063 3.344 1.00 1.00 H new ATOM 527 N LEU A 37 46.401 -7.810 4.702 1.00 1.00 N ATOM 528 CA LEU A 37 44.965 -7.713 4.936 1.00 1.00 C ATOM 529 C LEU A 37 44.679 -7.500 6.419 1.00 1.00 C ATOM 530 O LEU A 37 43.563 -7.145 6.802 1.00 1.00 O ATOM 531 CB LEU A 37 44.269 -8.994 4.460 1.00 1.00 C ATOM 532 CG LEU A 37 43.604 -8.759 3.099 1.00 1.00 C ATOM 533 CD1 LEU A 37 42.424 -7.793 3.251 1.00 1.00 C ATOM 534 CD2 LEU A 37 44.625 -8.166 2.125 1.00 1.00 C ATOM 0 H LEU A 37 46.692 -8.633 4.174 1.00 1.00 H new ATOM 0 HA LEU A 37 44.581 -6.861 4.375 1.00 1.00 H new ATOM 0 HB2 LEU A 37 44.994 -9.804 4.384 1.00 1.00 H new ATOM 0 HB3 LEU A 37 43.521 -9.303 5.190 1.00 1.00 H new ATOM 0 HG LEU A 37 43.240 -9.711 2.713 1.00 1.00 H new ATOM 0 HD11 LEU A 37 41.958 -7.632 2.279 1.00 1.00 H new ATOM 0 HD12 LEU A 37 41.692 -8.218 3.938 1.00 1.00 H new ATOM 0 HD13 LEU A 37 42.781 -6.841 3.644 1.00 1.00 H new ATOM 0 HD21 LEU A 37 44.151 -7.999 1.158 1.00 1.00 H new ATOM 0 HD22 LEU A 37 44.993 -7.218 2.517 1.00 1.00 H new ATOM 0 HD23 LEU A 37 45.459 -8.858 2.006 1.00 1.00 H new ATOM 546 N VAL A 38 45.694 -7.717 7.249 1.00 1.00 N ATOM 547 CA VAL A 38 45.543 -7.545 8.690 1.00 1.00 C ATOM 548 C VAL A 38 46.181 -6.237 9.143 1.00 1.00 C ATOM 549 O VAL A 38 45.580 -5.469 9.894 1.00 1.00 O ATOM 550 CB VAL A 38 46.199 -8.715 9.425 1.00 1.00 C ATOM 551 CG1 VAL A 38 45.688 -8.765 10.866 1.00 1.00 C ATOM 552 CG2 VAL A 38 45.849 -10.025 8.715 1.00 1.00 C ATOM 0 H VAL A 38 46.624 -8.010 6.951 1.00 1.00 H new ATOM 0 HA VAL A 38 44.479 -7.517 8.925 1.00 1.00 H new ATOM 0 HB VAL A 38 47.281 -8.580 9.428 1.00 1.00 H new ATOM 0 HG11 VAL A 38 46.156 -9.599 11.389 1.00 1.00 H new ATOM 0 HG12 VAL A 38 45.937 -7.833 11.373 1.00 1.00 H new ATOM 0 HG13 VAL A 38 44.606 -8.899 10.864 1.00 1.00 H new ATOM 0 HG21 VAL A 38 46.316 -10.859 9.239 1.00 1.00 H new ATOM 0 HG22 VAL A 38 44.767 -10.159 8.712 1.00 1.00 H new ATOM 0 HG23 VAL A 38 46.214 -9.991 7.688 1.00 1.00 H new ATOM 562 N PHE A 39 47.403 -5.990 8.683 1.00 1.00 N ATOM 563 CA PHE A 39 48.115 -4.771 9.048 1.00 1.00 C ATOM 564 C PHE A 39 47.232 -3.547 8.833 1.00 1.00 C ATOM 565 O PHE A 39 47.565 -2.445 9.271 1.00 1.00 O ATOM 566 CB PHE A 39 49.388 -4.640 8.209 1.00 1.00 C ATOM 567 CG PHE A 39 50.194 -3.462 8.698 1.00 1.00 C ATOM 568 CD1 PHE A 39 50.901 -3.548 9.904 1.00 1.00 C ATOM 569 CD2 PHE A 39 50.237 -2.280 7.946 1.00 1.00 C ATOM 570 CE1 PHE A 39 51.649 -2.455 10.358 1.00 1.00 C ATOM 571 CE2 PHE A 39 50.985 -1.188 8.400 1.00 1.00 C ATOM 572 CZ PHE A 39 51.691 -1.275 9.605 1.00 1.00 C ATOM 0 H PHE A 39 47.918 -6.613 8.061 1.00 1.00 H new ATOM 0 HA PHE A 39 48.380 -4.830 10.104 1.00 1.00 H new ATOM 0 HB2 PHE A 39 49.979 -5.553 8.280 1.00 1.00 H new ATOM 0 HB3 PHE A 39 49.132 -4.508 7.158 1.00 1.00 H new ATOM 0 HD1 PHE A 39 50.869 -4.458 10.484 1.00 1.00 H new ATOM 0 HD2 PHE A 39 49.693 -2.212 7.016 1.00 1.00 H new ATOM 0 HE1 PHE A 39 52.193 -2.522 11.288 1.00 1.00 H new ATOM 0 HE2 PHE A 39 51.017 -0.278 7.820 1.00 1.00 H new ATOM 0 HZ PHE A 39 52.268 -0.432 9.954 1.00 1.00 H new ATOM 582 N LEU A 40 46.105 -3.748 8.156 1.00 1.00 N ATOM 583 CA LEU A 40 45.176 -2.657 7.887 1.00 1.00 C ATOM 584 C LEU A 40 43.747 -3.081 8.206 1.00 1.00 C ATOM 585 O LEU A 40 42.813 -2.752 7.475 1.00 1.00 O ATOM 586 CB LEU A 40 45.271 -2.241 6.418 1.00 1.00 C ATOM 587 CG LEU A 40 46.575 -1.475 6.187 1.00 1.00 C ATOM 588 CD1 LEU A 40 47.197 -1.913 4.859 1.00 1.00 C ATOM 589 CD2 LEU A 40 46.283 0.026 6.140 1.00 1.00 C ATOM 0 H LEU A 40 45.815 -4.653 7.785 1.00 1.00 H new ATOM 0 HA LEU A 40 45.443 -1.812 8.522 1.00 1.00 H new ATOM 0 HB2 LEU A 40 45.236 -3.122 5.777 1.00 1.00 H new ATOM 0 HB3 LEU A 40 44.418 -1.617 6.150 1.00 1.00 H new ATOM 0 HG LEU A 40 47.268 -1.687 7.001 1.00 1.00 H new ATOM 0 HD11 LEU A 40 48.126 -1.367 4.695 1.00 1.00 H new ATOM 0 HD12 LEU A 40 47.405 -2.982 4.890 1.00 1.00 H new ATOM 0 HD13 LEU A 40 46.503 -1.702 4.045 1.00 1.00 H new ATOM 0 HD21 LEU A 40 47.212 0.572 5.975 1.00 1.00 H new ATOM 0 HD22 LEU A 40 45.589 0.236 5.326 1.00 1.00 H new ATOM 0 HD23 LEU A 40 45.840 0.340 7.085 1.00 1.00 H new ATOM 601 N LEU A 41 43.585 -3.816 9.302 1.00 1.00 N ATOM 602 CA LEU A 41 42.264 -4.282 9.710 1.00 1.00 C ATOM 603 C LEU A 41 42.298 -4.765 11.157 1.00 1.00 C ATOM 604 O LEU A 41 41.620 -4.210 12.022 1.00 1.00 O ATOM 605 CB LEU A 41 41.810 -5.421 8.786 1.00 1.00 C ATOM 606 CG LEU A 41 40.547 -6.091 9.341 1.00 1.00 C ATOM 607 CD1 LEU A 41 39.500 -5.029 9.685 1.00 1.00 C ATOM 608 CD2 LEU A 41 39.975 -7.037 8.283 1.00 1.00 C ATOM 0 H LEU A 41 44.346 -4.100 9.919 1.00 1.00 H new ATOM 0 HA LEU A 41 41.557 -3.456 9.635 1.00 1.00 H new ATOM 0 HB2 LEU A 41 41.613 -5.031 7.788 1.00 1.00 H new ATOM 0 HB3 LEU A 41 42.607 -6.158 8.689 1.00 1.00 H new ATOM 0 HG LEU A 41 40.802 -6.649 10.242 1.00 1.00 H new ATOM 0 HD11 LEU A 41 38.606 -5.513 10.078 1.00 1.00 H new ATOM 0 HD12 LEU A 41 39.904 -4.349 10.435 1.00 1.00 H new ATOM 0 HD13 LEU A 41 39.243 -4.467 8.787 1.00 1.00 H new ATOM 0 HD21 LEU A 41 39.077 -7.517 8.671 1.00 1.00 H new ATOM 0 HD22 LEU A 41 39.725 -6.471 7.386 1.00 1.00 H new ATOM 0 HD23 LEU A 41 40.715 -7.798 8.037 1.00 1.00 H new ATOM 620 N GLY A 42 43.089 -5.802 11.411 1.00 1.00 N ATOM 621 CA GLY A 42 43.202 -6.351 12.757 1.00 1.00 C ATOM 622 C GLY A 42 43.924 -5.380 13.683 1.00 1.00 C ATOM 623 O GLY A 42 44.084 -5.646 14.875 1.00 1.00 O ATOM 0 H GLY A 42 43.657 -6.276 10.709 1.00 1.00 H new ATOM 0 HA2 GLY A 42 42.208 -6.565 13.151 1.00 1.00 H new ATOM 0 HA3 GLY A 42 43.742 -7.297 12.724 1.00 1.00 H new ATOM 627 N THR A 43 44.356 -4.251 13.129 1.00 1.00 N ATOM 628 CA THR A 43 45.060 -3.246 13.917 1.00 1.00 C ATOM 629 C THR A 43 44.701 -1.842 13.440 1.00 1.00 C ATOM 630 O THR A 43 44.189 -1.027 14.208 1.00 1.00 O ATOM 631 CB THR A 43 46.571 -3.455 13.802 1.00 1.00 C ATOM 632 OG1 THR A 43 47.222 -2.192 13.773 1.00 1.00 O ATOM 633 CG2 THR A 43 46.885 -4.223 12.517 1.00 1.00 C ATOM 0 H THR A 43 44.232 -4.011 12.145 1.00 1.00 H new ATOM 0 HA THR A 43 44.757 -3.352 14.959 1.00 1.00 H new ATOM 0 HB THR A 43 46.925 -4.027 14.660 1.00 1.00 H new ATOM 0 HG1 THR A 43 47.697 -2.088 12.922 1.00 1.00 H new ATOM 0 HG21 THR A 43 47.962 -4.371 12.436 1.00 1.00 H new ATOM 0 HG22 THR A 43 46.386 -5.192 12.541 1.00 1.00 H new ATOM 0 HG23 THR A 43 46.531 -3.654 11.657 1.00 1.00 H new ATOM 641 N THR A 44 44.972 -1.568 12.168 1.00 1.00 N ATOM 642 CA THR A 44 44.672 -0.260 11.599 1.00 1.00 C ATOM 643 C THR A 44 45.372 0.842 12.388 1.00 1.00 C ATOM 644 O THR A 44 45.182 2.028 12.119 1.00 1.00 O ATOM 645 CB THR A 44 43.161 -0.017 11.610 1.00 1.00 C ATOM 646 OG1 THR A 44 42.792 0.594 12.839 1.00 1.00 O ATOM 647 CG2 THR A 44 42.426 -1.350 11.460 1.00 1.00 C ATOM 0 H THR A 44 45.395 -2.229 11.516 1.00 1.00 H new ATOM 0 HA THR A 44 45.034 -0.242 10.571 1.00 1.00 H new ATOM 0 HB THR A 44 42.891 0.638 10.781 1.00 1.00 H new ATOM 0 HG1 THR A 44 43.036 0.005 13.583 1.00 1.00 H new ATOM 0 HG21 THR A 44 41.350 -1.175 11.468 1.00 1.00 H new ATOM 0 HG22 THR A 44 42.711 -1.818 10.518 1.00 1.00 H new ATOM 0 HG23 THR A 44 42.693 -2.008 12.287 1.00 1.00 H new ATOM 655 N GLY A 45 46.181 0.442 13.363 1.00 1.00 N ATOM 656 CA GLY A 45 46.904 1.406 14.185 1.00 1.00 C ATOM 657 C GLY A 45 46.121 1.738 15.450 1.00 1.00 C ATOM 658 O GLY A 45 46.431 2.706 16.145 1.00 1.00 O ATOM 0 H GLY A 45 46.352 -0.535 13.602 1.00 1.00 H new ATOM 0 HA2 GLY A 45 47.880 1.002 14.452 1.00 1.00 H new ATOM 0 HA3 GLY A 45 47.082 2.317 13.613 1.00 1.00 H new ATOM 662 N ASN A 46 45.107 0.929 15.742 1.00 1.00 N ATOM 663 CA ASN A 46 44.285 1.146 16.928 1.00 1.00 C ATOM 664 C ASN A 46 44.651 0.145 18.019 1.00 1.00 C ATOM 665 O ASN A 46 44.342 0.352 19.193 1.00 1.00 O ATOM 666 CB ASN A 46 42.805 0.999 16.573 1.00 1.00 C ATOM 667 CG ASN A 46 42.416 -0.476 16.553 1.00 1.00 C ATOM 668 OD1 ASN A 46 42.194 -1.047 15.485 1.00 1.00 O ATOM 669 ND2 ASN A 46 42.321 -1.131 17.678 1.00 1.00 N ATOM 0 H ASN A 46 44.836 0.123 15.179 1.00 1.00 H new ATOM 0 HA ASN A 46 44.469 2.155 17.297 1.00 1.00 H new ATOM 0 HB2 ASN A 46 42.194 1.535 17.299 1.00 1.00 H new ATOM 0 HB3 ASN A 46 42.610 1.448 15.599 1.00 1.00 H new ATOM 0 HD21 ASN A 46 42.062 -2.118 17.673 1.00 1.00 H new ATOM 0 HD22 ASN A 46 42.505 -0.656 18.562 1.00 1.00 H new ATOM 676 N GLY A 47 45.310 -0.939 17.624 1.00 1.00 N ATOM 677 CA GLY A 47 45.713 -1.966 18.578 1.00 1.00 C ATOM 678 C GLY A 47 47.199 -1.857 18.900 1.00 1.00 C ATOM 679 O GLY A 47 47.674 -2.426 19.883 1.00 1.00 O ATOM 0 H GLY A 47 45.575 -1.129 16.657 1.00 1.00 H new ATOM 0 HA2 GLY A 47 45.130 -1.866 19.494 1.00 1.00 H new ATOM 0 HA3 GLY A 47 45.497 -2.953 18.169 1.00 1.00 H new ATOM 683 N LEU A 48 47.929 -1.124 18.066 1.00 1.00 N ATOM 684 CA LEU A 48 49.362 -0.949 18.274 1.00 1.00 C ATOM 685 C LEU A 48 49.639 0.364 18.998 1.00 1.00 C ATOM 686 O LEU A 48 50.753 0.887 18.949 1.00 1.00 O ATOM 687 CB LEU A 48 50.098 -0.957 16.930 1.00 1.00 C ATOM 688 CG LEU A 48 49.269 -1.707 15.884 1.00 1.00 C ATOM 689 CD1 LEU A 48 50.061 -1.798 14.578 1.00 1.00 C ATOM 690 CD2 LEU A 48 48.963 -3.119 16.389 1.00 1.00 C ATOM 0 H LEU A 48 47.556 -0.645 17.246 1.00 1.00 H new ATOM 0 HA LEU A 48 49.722 -1.776 18.886 1.00 1.00 H new ATOM 0 HB2 LEU A 48 50.278 0.066 16.598 1.00 1.00 H new ATOM 0 HB3 LEU A 48 51.073 -1.432 17.042 1.00 1.00 H new ATOM 0 HG LEU A 48 48.335 -1.172 15.710 1.00 1.00 H new ATOM 0 HD11 LEU A 48 49.472 -2.332 13.832 1.00 1.00 H new ATOM 0 HD12 LEU A 48 50.282 -0.794 14.216 1.00 1.00 H new ATOM 0 HD13 LEU A 48 50.994 -2.333 14.755 1.00 1.00 H new ATOM 0 HD21 LEU A 48 48.373 -3.652 15.644 1.00 1.00 H new ATOM 0 HD22 LEU A 48 49.897 -3.654 16.563 1.00 1.00 H new ATOM 0 HD23 LEU A 48 48.401 -3.058 17.321 1.00 1.00 H new ATOM 702 N VAL A 49 48.620 0.892 19.667 1.00 1.00 N ATOM 703 CA VAL A 49 48.765 2.147 20.397 1.00 1.00 C ATOM 704 C VAL A 49 48.881 1.890 21.896 1.00 1.00 C ATOM 705 O VAL A 49 49.911 2.179 22.505 1.00 1.00 O ATOM 706 CB VAL A 49 47.560 3.049 20.126 1.00 1.00 C ATOM 707 CG1 VAL A 49 47.937 4.503 20.411 1.00 1.00 C ATOM 708 CG2 VAL A 49 47.139 2.909 18.662 1.00 1.00 C ATOM 0 H VAL A 49 47.691 0.475 19.719 1.00 1.00 H new ATOM 0 HA VAL A 49 49.675 2.639 20.055 1.00 1.00 H new ATOM 0 HB VAL A 49 46.733 2.755 20.772 1.00 1.00 H new ATOM 0 HG11 VAL A 49 47.078 5.146 20.218 1.00 1.00 H new ATOM 0 HG12 VAL A 49 48.238 4.603 21.454 1.00 1.00 H new ATOM 0 HG13 VAL A 49 48.764 4.798 19.765 1.00 1.00 H new ATOM 0 HG21 VAL A 49 46.280 3.551 18.467 1.00 1.00 H new ATOM 0 HG22 VAL A 49 47.966 3.203 18.016 1.00 1.00 H new ATOM 0 HG23 VAL A 49 46.870 1.872 18.458 1.00 1.00 H new ATOM 718 N LEU A 50 47.817 1.347 22.483 1.00 1.00 N ATOM 719 CA LEU A 50 47.802 1.057 23.914 1.00 1.00 C ATOM 720 C LEU A 50 47.768 -0.449 24.159 1.00 1.00 C ATOM 721 O LEU A 50 48.383 -0.947 25.101 1.00 1.00 O ATOM 722 CB LEU A 50 46.582 1.709 24.567 1.00 1.00 C ATOM 723 CG LEU A 50 45.303 1.183 23.913 1.00 1.00 C ATOM 724 CD1 LEU A 50 44.636 0.164 24.839 1.00 1.00 C ATOM 725 CD2 LEU A 50 44.342 2.347 23.663 1.00 1.00 C ATOM 0 H LEU A 50 46.958 1.100 21.992 1.00 1.00 H new ATOM 0 HA LEU A 50 48.712 1.464 24.355 1.00 1.00 H new ATOM 0 HB2 LEU A 50 46.571 1.493 25.635 1.00 1.00 H new ATOM 0 HB3 LEU A 50 46.637 2.792 24.461 1.00 1.00 H new ATOM 0 HG LEU A 50 45.552 0.705 22.965 1.00 1.00 H new ATOM 0 HD11 LEU A 50 43.725 -0.210 24.372 1.00 1.00 H new ATOM 0 HD12 LEU A 50 45.319 -0.666 25.019 1.00 1.00 H new ATOM 0 HD13 LEU A 50 44.388 0.641 25.787 1.00 1.00 H new ATOM 0 HD21 LEU A 50 43.431 1.973 23.197 1.00 1.00 H new ATOM 0 HD22 LEU A 50 44.095 2.825 24.611 1.00 1.00 H new ATOM 0 HD23 LEU A 50 44.815 3.074 23.003 1.00 1.00 H new ATOM 737 N TRP A 51 47.046 -1.169 23.307 1.00 1.00 N ATOM 738 CA TRP A 51 46.941 -2.617 23.444 1.00 1.00 C ATOM 739 C TRP A 51 48.290 -3.277 23.171 1.00 1.00 C ATOM 740 O TRP A 51 48.463 -4.474 23.397 1.00 1.00 O ATOM 741 CB TRP A 51 45.894 -3.160 22.471 1.00 1.00 C ATOM 742 CG TRP A 51 46.092 -4.631 22.291 1.00 1.00 C ATOM 743 CD1 TRP A 51 46.743 -5.206 21.253 1.00 1.00 C ATOM 744 CD2 TRP A 51 45.651 -5.721 23.151 1.00 1.00 C ATOM 745 NE1 TRP A 51 46.729 -6.578 21.421 1.00 1.00 N ATOM 746 CE2 TRP A 51 46.068 -6.945 22.577 1.00 1.00 C ATOM 747 CE3 TRP A 51 44.937 -5.765 24.361 1.00 1.00 C ATOM 748 CZ2 TRP A 51 45.785 -8.170 23.183 1.00 1.00 C ATOM 749 CZ3 TRP A 51 44.651 -6.997 24.973 1.00 1.00 C ATOM 750 CH2 TRP A 51 45.074 -8.197 24.385 1.00 1.00 C ATOM 0 H TRP A 51 46.529 -0.777 22.520 1.00 1.00 H new ATOM 0 HA TRP A 51 46.637 -2.848 24.465 1.00 1.00 H new ATOM 0 HB2 TRP A 51 44.892 -2.962 22.851 1.00 1.00 H new ATOM 0 HB3 TRP A 51 45.977 -2.651 21.511 1.00 1.00 H new ATOM 0 HD1 TRP A 51 47.199 -4.679 20.428 1.00 1.00 H new ATOM 0 HE1 TRP A 51 47.155 -7.239 20.771 1.00 1.00 H new ATOM 0 HE3 TRP A 51 44.606 -4.846 24.823 1.00 1.00 H new ATOM 0 HZ2 TRP A 51 46.114 -9.091 22.725 1.00 1.00 H new ATOM 0 HZ3 TRP A 51 44.102 -7.020 25.903 1.00 1.00 H new ATOM 0 HH2 TRP A 51 44.851 -9.141 24.860 1.00 1.00 H new ATOM 761 N THR A 52 49.241 -2.486 22.686 1.00 1.00 N ATOM 762 CA THR A 52 50.572 -3.001 22.387 1.00 1.00 C ATOM 763 C THR A 52 51.237 -3.534 23.652 1.00 1.00 C ATOM 764 O THR A 52 52.039 -4.465 23.599 1.00 1.00 O ATOM 765 CB THR A 52 51.437 -1.894 21.781 1.00 1.00 C ATOM 766 OG1 THR A 52 52.791 -2.322 21.742 1.00 1.00 O ATOM 767 CG2 THR A 52 51.323 -0.630 22.636 1.00 1.00 C ATOM 0 H THR A 52 49.116 -1.492 22.493 1.00 1.00 H new ATOM 0 HA THR A 52 50.473 -3.817 21.671 1.00 1.00 H new ATOM 0 HB THR A 52 51.095 -1.677 20.769 1.00 1.00 H new ATOM 0 HG1 THR A 52 53.347 -1.615 21.353 1.00 1.00 H new ATOM 0 HG21 THR A 52 51.939 0.158 22.204 1.00 1.00 H new ATOM 0 HG22 THR A 52 50.284 -0.303 22.665 1.00 1.00 H new ATOM 0 HG23 THR A 52 51.665 -0.844 23.649 1.00 1.00 H new ATOM 775 N VAL A 53 50.896 -2.935 24.789 1.00 1.00 N ATOM 776 CA VAL A 53 51.467 -3.356 26.064 1.00 1.00 C ATOM 777 C VAL A 53 50.896 -4.707 26.487 1.00 1.00 C ATOM 778 O VAL A 53 51.633 -5.600 26.905 1.00 1.00 O ATOM 779 CB VAL A 53 51.167 -2.314 27.141 1.00 1.00 C ATOM 780 CG1 VAL A 53 52.046 -2.575 28.365 1.00 1.00 C ATOM 781 CG2 VAL A 53 51.463 -0.917 26.592 1.00 1.00 C ATOM 0 H VAL A 53 50.233 -2.163 24.854 1.00 1.00 H new ATOM 0 HA VAL A 53 52.546 -3.452 25.943 1.00 1.00 H new ATOM 0 HB VAL A 53 50.117 -2.380 27.427 1.00 1.00 H new ATOM 0 HG11 VAL A 53 51.831 -1.831 29.132 1.00 1.00 H new ATOM 0 HG12 VAL A 53 51.838 -3.571 28.756 1.00 1.00 H new ATOM 0 HG13 VAL A 53 53.096 -2.509 28.080 1.00 1.00 H new ATOM 0 HG21 VAL A 53 51.250 -0.172 27.359 1.00 1.00 H new ATOM 0 HG22 VAL A 53 52.513 -0.853 26.306 1.00 1.00 H new ATOM 0 HG23 VAL A 53 50.838 -0.729 25.719 1.00 1.00 H new ATOM 791 N PHE A 54 49.579 -4.847 26.376 1.00 1.00 N ATOM 792 CA PHE A 54 48.920 -6.093 26.750 1.00 1.00 C ATOM 793 C PHE A 54 49.236 -7.191 25.740 1.00 1.00 C ATOM 794 O PHE A 54 48.599 -8.244 25.733 1.00 1.00 O ATOM 795 CB PHE A 54 47.406 -5.882 26.820 1.00 1.00 C ATOM 796 CG PHE A 54 46.952 -5.960 28.258 1.00 1.00 C ATOM 797 CD1 PHE A 54 47.169 -4.878 29.120 1.00 1.00 C ATOM 798 CD2 PHE A 54 46.314 -7.114 28.729 1.00 1.00 C ATOM 799 CE1 PHE A 54 46.748 -4.950 30.453 1.00 1.00 C ATOM 800 CE2 PHE A 54 45.893 -7.186 30.062 1.00 1.00 C ATOM 801 CZ PHE A 54 46.109 -6.104 30.924 1.00 1.00 C ATOM 0 H PHE A 54 48.951 -4.120 26.033 1.00 1.00 H new ATOM 0 HA PHE A 54 49.290 -6.398 27.729 1.00 1.00 H new ATOM 0 HB2 PHE A 54 47.143 -4.912 26.397 1.00 1.00 H new ATOM 0 HB3 PHE A 54 46.895 -6.639 26.225 1.00 1.00 H new ATOM 0 HD1 PHE A 54 47.661 -3.988 28.756 1.00 1.00 H new ATOM 0 HD2 PHE A 54 46.147 -7.948 28.064 1.00 1.00 H new ATOM 0 HE1 PHE A 54 46.916 -4.116 31.118 1.00 1.00 H new ATOM 0 HE2 PHE A 54 45.401 -8.076 30.426 1.00 1.00 H new ATOM 0 HZ PHE A 54 45.783 -6.159 31.952 1.00 1.00 H new ATOM 811 N ARG A 55 50.224 -6.939 24.889 1.00 1.00 N ATOM 812 CA ARG A 55 50.618 -7.913 23.878 1.00 1.00 C ATOM 813 C ARG A 55 52.137 -7.999 23.775 1.00 1.00 C ATOM 814 O ARG A 55 52.694 -9.071 23.538 1.00 1.00 O ATOM 815 CB ARG A 55 50.033 -7.521 22.520 1.00 1.00 C ATOM 816 CG ARG A 55 50.523 -8.499 21.453 1.00 1.00 C ATOM 817 CD ARG A 55 49.474 -8.617 20.346 1.00 1.00 C ATOM 818 NE ARG A 55 49.902 -9.594 19.358 1.00 1.00 N ATOM 819 CZ ARG A 55 50.679 -9.253 18.334 1.00 1.00 C ATOM 820 NH1 ARG A 55 51.082 -8.019 18.205 1.00 1.00 N ATOM 821 NH2 ARG A 55 51.037 -10.152 17.459 1.00 1.00 N ATOM 0 H ARG A 55 50.764 -6.074 24.878 1.00 1.00 H new ATOM 0 HA ARG A 55 50.232 -8.889 24.172 1.00 1.00 H new ATOM 0 HB2 ARG A 55 48.944 -7.531 22.565 1.00 1.00 H new ATOM 0 HB3 ARG A 55 50.333 -6.505 22.263 1.00 1.00 H new ATOM 0 HG2 ARG A 55 51.469 -8.154 21.036 1.00 1.00 H new ATOM 0 HG3 ARG A 55 50.708 -9.476 21.898 1.00 1.00 H new ATOM 0 HD2 ARG A 55 48.516 -8.914 20.772 1.00 1.00 H new ATOM 0 HD3 ARG A 55 49.325 -7.648 19.870 1.00 1.00 H new ATOM 0 HE ARG A 55 49.599 -10.563 19.452 1.00 1.00 H new ATOM 0 HH11 ARG A 55 50.801 -7.317 18.889 1.00 1.00 H new ATOM 0 HH12 ARG A 55 51.678 -7.757 17.420 1.00 1.00 H new ATOM 0 HH21 ARG A 55 50.721 -11.116 17.560 1.00 1.00 H new ATOM 0 HH22 ARG A 55 51.633 -9.890 16.674 1.00 1.00 H new ATOM 835 N LYS A 56 52.803 -6.863 23.956 1.00 1.00 N ATOM 836 CA LYS A 56 54.259 -6.822 23.883 1.00 1.00 C ATOM 837 C LYS A 56 54.872 -7.879 24.795 1.00 1.00 C ATOM 838 O LYS A 56 56.064 -8.171 24.710 1.00 1.00 O ATOM 839 CB LYS A 56 54.764 -5.437 24.292 1.00 1.00 C ATOM 840 CG LYS A 56 54.860 -4.542 23.055 1.00 1.00 C ATOM 841 CD LYS A 56 54.762 -3.075 23.476 1.00 1.00 C ATOM 842 CE LYS A 56 55.758 -2.799 24.603 1.00 1.00 C ATOM 843 NZ LYS A 56 56.108 -1.351 24.614 1.00 1.00 N ATOM 0 H LYS A 56 52.362 -5.965 24.153 1.00 1.00 H new ATOM 0 HA LYS A 56 54.558 -7.028 22.855 1.00 1.00 H new ATOM 0 HB2 LYS A 56 54.088 -4.993 25.023 1.00 1.00 H new ATOM 0 HB3 LYS A 56 55.740 -5.521 24.770 1.00 1.00 H new ATOM 0 HG2 LYS A 56 55.802 -4.720 22.537 1.00 1.00 H new ATOM 0 HG3 LYS A 56 54.060 -4.784 22.355 1.00 1.00 H new ATOM 0 HD2 LYS A 56 54.971 -2.427 22.625 1.00 1.00 H new ATOM 0 HD3 LYS A 56 53.749 -2.848 23.808 1.00 1.00 H new ATOM 0 HE2 LYS A 56 55.327 -3.087 25.562 1.00 1.00 H new ATOM 0 HE3 LYS A 56 56.657 -3.400 24.464 1.00 1.00 H new ATOM 0 HZ1 LYS A 56 56.785 -1.163 25.381 1.00 1.00 H new ATOM 0 HZ2 LYS A 56 56.536 -1.090 23.703 1.00 1.00 H new ATOM 0 HZ3 LYS A 56 55.248 -0.787 24.767 1.00 1.00 H new ATOM 857 N LYS A 57 54.048 -8.448 25.669 1.00 1.00 N ATOM 858 CA LYS A 57 54.519 -9.473 26.593 1.00 1.00 C ATOM 859 C LYS A 57 54.859 -10.758 25.843 1.00 1.00 C ATOM 860 O LYS A 57 55.534 -11.638 26.375 1.00 1.00 O ATOM 861 CB LYS A 57 53.447 -9.762 27.645 1.00 1.00 C ATOM 862 CG LYS A 57 52.803 -8.448 28.093 1.00 1.00 C ATOM 863 CD LYS A 57 53.895 -7.459 28.506 1.00 1.00 C ATOM 864 CE LYS A 57 53.297 -6.392 29.424 1.00 1.00 C ATOM 865 NZ LYS A 57 53.484 -6.797 30.845 1.00 1.00 N ATOM 0 H LYS A 57 53.058 -8.219 25.757 1.00 1.00 H new ATOM 0 HA LYS A 57 55.419 -9.104 27.084 1.00 1.00 H new ATOM 0 HB2 LYS A 57 52.689 -10.429 27.234 1.00 1.00 H new ATOM 0 HB3 LYS A 57 53.890 -10.272 28.500 1.00 1.00 H new ATOM 0 HG2 LYS A 57 52.205 -8.029 27.283 1.00 1.00 H new ATOM 0 HG3 LYS A 57 52.126 -8.629 28.928 1.00 1.00 H new ATOM 0 HD2 LYS A 57 54.701 -7.984 29.018 1.00 1.00 H new ATOM 0 HD3 LYS A 57 54.330 -6.991 27.623 1.00 1.00 H new ATOM 0 HE2 LYS A 57 53.777 -5.431 29.243 1.00 1.00 H new ATOM 0 HE3 LYS A 57 52.236 -6.264 29.208 1.00 1.00 H new ATOM 0 HZ1 LYS A 57 53.077 -6.071 31.469 1.00 1.00 H new ATOM 0 HZ2 LYS A 57 53.006 -7.705 31.013 1.00 1.00 H new ATOM 0 HZ3 LYS A 57 54.499 -6.897 31.047 1.00 1.00 H new ATOM 879 N GLY A 58 54.386 -10.856 24.605 1.00 1.00 N ATOM 880 CA GLY A 58 54.645 -12.038 23.791 1.00 1.00 C ATOM 881 C GLY A 58 53.652 -12.133 22.638 1.00 1.00 C ATOM 882 O GLY A 58 52.488 -12.478 22.837 1.00 1.00 O ATOM 0 H GLY A 58 53.826 -10.138 24.146 1.00 1.00 H new ATOM 0 HA2 GLY A 58 55.661 -11.999 23.399 1.00 1.00 H new ATOM 0 HA3 GLY A 58 54.577 -12.933 24.410 1.00 1.00 H new ATOM 886 N HIS A 59 54.120 -11.826 21.433 1.00 1.00 N ATOM 887 CA HIS A 59 53.264 -11.881 20.254 1.00 1.00 C ATOM 888 C HIS A 59 52.692 -13.283 20.072 1.00 1.00 C ATOM 889 O HIS A 59 51.886 -13.523 19.174 1.00 1.00 O ATOM 890 CB HIS A 59 54.062 -11.486 19.011 1.00 1.00 C ATOM 891 CG HIS A 59 54.298 -12.704 18.160 1.00 1.00 C ATOM 892 ND1 HIS A 59 53.408 -13.104 17.176 1.00 1.00 N ATOM 893 CD2 HIS A 59 55.321 -13.619 18.132 1.00 1.00 C ATOM 894 CE1 HIS A 59 53.906 -14.215 16.604 1.00 1.00 C ATOM 895 NE2 HIS A 59 55.072 -14.572 17.149 1.00 1.00 N ATOM 0 H HIS A 59 55.081 -11.538 21.248 1.00 1.00 H new ATOM 0 HA HIS A 59 52.440 -11.181 20.393 1.00 1.00 H new ATOM 0 HB2 HIS A 59 53.520 -10.731 18.442 1.00 1.00 H new ATOM 0 HB3 HIS A 59 55.014 -11.043 19.302 1.00 1.00 H new ATOM 0 HD1 HIS A 59 52.534 -12.640 16.930 1.00 1.00 H new ATOM 0 HD2 HIS A 59 56.188 -13.602 18.776 1.00 1.00 H new ATOM 0 HE1 HIS A 59 53.422 -14.753 15.802 1.00 1.00 H new ATOM 903 N HIS A 60 53.117 -14.205 20.930 1.00 1.00 N ATOM 904 CA HIS A 60 52.640 -15.581 20.853 1.00 1.00 C ATOM 905 C HIS A 60 51.275 -15.713 21.521 1.00 1.00 C ATOM 906 O HIS A 60 50.239 -15.516 20.884 1.00 1.00 O ATOM 907 CB HIS A 60 53.637 -16.518 21.537 1.00 1.00 C ATOM 908 CG HIS A 60 54.939 -16.503 20.784 1.00 1.00 C ATOM 909 ND1 HIS A 60 54.991 -16.537 19.399 1.00 1.00 N ATOM 910 CD2 HIS A 60 56.244 -16.459 21.207 1.00 1.00 C ATOM 911 CE1 HIS A 60 56.288 -16.513 19.042 1.00 1.00 C ATOM 912 NE2 HIS A 60 57.094 -16.465 20.106 1.00 1.00 N ATOM 0 H HIS A 60 53.785 -14.027 21.680 1.00 1.00 H new ATOM 0 HA HIS A 60 52.546 -15.855 19.802 1.00 1.00 H new ATOM 0 HB2 HIS A 60 53.798 -16.205 22.568 1.00 1.00 H new ATOM 0 HB3 HIS A 60 53.236 -17.531 21.571 1.00 1.00 H new ATOM 0 HD2 HIS A 60 56.563 -16.425 22.238 1.00 1.00 H new ATOM 0 HE1 HIS A 60 56.635 -16.530 18.019 1.00 1.00 H new ATOM 0 HE2 HIS A 60 58.114 -16.438 20.110 1.00 1.00 H new ATOM 920 N HIS A 61 51.281 -16.049 22.808 1.00 1.00 N ATOM 921 CA HIS A 61 50.036 -16.203 23.552 1.00 1.00 C ATOM 922 C HIS A 61 50.274 -15.986 25.043 1.00 1.00 C ATOM 923 O HIS A 61 50.262 -16.934 25.828 1.00 1.00 O ATOM 924 CB HIS A 61 49.462 -17.603 23.324 1.00 1.00 C ATOM 925 CG HIS A 61 49.146 -17.784 21.865 1.00 1.00 C ATOM 926 ND1 HIS A 61 48.027 -17.217 21.275 1.00 1.00 N ATOM 927 CD2 HIS A 61 49.793 -18.465 20.864 1.00 1.00 C ATOM 928 CE1 HIS A 61 48.033 -17.564 19.975 1.00 1.00 C ATOM 929 NE2 HIS A 61 49.088 -18.325 19.671 1.00 1.00 N ATOM 0 H HIS A 61 52.126 -16.218 23.353 1.00 1.00 H new ATOM 0 HA HIS A 61 49.326 -15.457 23.196 1.00 1.00 H new ATOM 0 HB2 HIS A 61 50.178 -18.358 23.648 1.00 1.00 H new ATOM 0 HB3 HIS A 61 48.561 -17.740 23.922 1.00 1.00 H new ATOM 0 HD2 HIS A 61 50.709 -19.024 20.983 1.00 1.00 H new ATOM 0 HE1 HIS A 61 47.277 -17.264 19.264 1.00 1.00 H new ATOM 0 HE2 HIS A 61 49.326 -18.719 18.761 1.00 1.00 H new ATOM 937 N HIS A 62 50.489 -14.731 25.425 1.00 1.00 N ATOM 938 CA HIS A 62 50.728 -14.400 26.825 1.00 1.00 C ATOM 939 C HIS A 62 49.449 -14.564 27.641 1.00 1.00 C ATOM 940 O HIS A 62 48.941 -13.602 28.217 1.00 1.00 O ATOM 941 CB HIS A 62 51.229 -12.961 26.943 1.00 1.00 C ATOM 942 CG HIS A 62 51.938 -12.782 28.257 1.00 1.00 C ATOM 943 ND1 HIS A 62 51.315 -12.228 29.364 1.00 1.00 N ATOM 944 CD2 HIS A 62 53.217 -13.079 28.658 1.00 1.00 C ATOM 945 CE1 HIS A 62 52.211 -12.209 30.368 1.00 1.00 C ATOM 946 NE2 HIS A 62 53.387 -12.717 29.991 1.00 1.00 N ATOM 0 H HIS A 62 50.503 -13.933 24.790 1.00 1.00 H new ATOM 0 HA HIS A 62 51.484 -15.081 27.215 1.00 1.00 H new ATOM 0 HB2 HIS A 62 51.905 -12.731 26.119 1.00 1.00 H new ATOM 0 HB3 HIS A 62 50.392 -12.266 26.872 1.00 1.00 H new ATOM 0 HD2 HIS A 62 53.976 -13.526 28.033 1.00 1.00 H new ATOM 0 HE1 HIS A 62 52.004 -11.829 31.358 1.00 1.00 H new ATOM 0 HE2 HIS A 62 54.229 -12.818 30.558 1.00 1.00 H new ATOM 954 N HIS A 63 48.936 -15.789 27.686 1.00 1.00 N ATOM 955 CA HIS A 63 47.716 -16.067 28.435 1.00 1.00 C ATOM 956 C HIS A 63 48.049 -16.629 29.814 1.00 1.00 C ATOM 957 O HIS A 63 47.417 -17.578 30.277 1.00 1.00 O ATOM 958 CB HIS A 63 46.850 -17.069 27.669 1.00 1.00 C ATOM 959 CG HIS A 63 45.408 -16.880 28.052 1.00 1.00 C ATOM 960 ND1 HIS A 63 44.632 -17.917 28.546 1.00 1.00 N ATOM 961 CD2 HIS A 63 44.585 -15.782 28.018 1.00 1.00 C ATOM 962 CE1 HIS A 63 43.403 -17.427 28.789 1.00 1.00 C ATOM 963 NE2 HIS A 63 43.320 -16.128 28.484 1.00 1.00 N ATOM 0 H HIS A 63 49.342 -16.599 27.217 1.00 1.00 H new ATOM 0 HA HIS A 63 47.168 -15.133 28.559 1.00 1.00 H new ATOM 0 HB2 HIS A 63 46.974 -16.927 26.595 1.00 1.00 H new ATOM 0 HB3 HIS A 63 47.167 -18.087 27.895 1.00 1.00 H new ATOM 0 HD2 HIS A 63 44.875 -14.798 27.681 1.00 1.00 H new ATOM 0 HE1 HIS A 63 42.584 -18.011 29.182 1.00 1.00 H new ATOM 0 HE2 HIS A 63 42.505 -15.521 28.574 1.00 1.00 H new ATOM 971 N HIS A 64 49.045 -16.035 30.464 1.00 1.00 N ATOM 972 CA HIS A 64 49.454 -16.485 31.789 1.00 1.00 C ATOM 973 C HIS A 64 48.863 -15.584 32.868 1.00 1.00 C ATOM 974 O HIS A 64 49.447 -15.509 33.936 1.00 1.00 O ATOM 975 CB HIS A 64 50.981 -16.478 31.895 1.00 1.00 C ATOM 976 CG HIS A 64 51.578 -16.867 30.571 1.00 1.00 C ATOM 977 ND1 HIS A 64 52.640 -16.176 30.007 1.00 1.00 N ATOM 978 CD2 HIS A 64 51.273 -17.872 29.687 1.00 1.00 C ATOM 979 CE1 HIS A 64 52.933 -16.769 28.836 1.00 1.00 C ATOM 980 NE2 HIS A 64 52.130 -17.808 28.591 1.00 1.00 N ATOM 981 OXT HIS A 64 47.834 -14.981 32.609 1.00 1.00 O ATOM 0 H HIS A 64 49.580 -15.247 30.098 1.00 1.00 H new ATOM 0 HA HIS A 64 49.084 -17.500 31.937 1.00 1.00 H new ATOM 0 HB2 HIS A 64 51.331 -15.488 32.187 1.00 1.00 H new ATOM 0 HB3 HIS A 64 51.305 -17.172 32.670 1.00 1.00 H new ATOM 0 HD2 HIS A 64 50.488 -18.601 29.821 1.00 1.00 H new ATOM 0 HE1 HIS A 64 53.722 -16.444 28.174 1.00 1.00 H new ATOM 0 HE2 HIS A 64 52.142 -18.422 27.777 1.00 1.00 H new TER 989 HIS A 64