USER MOD reduce.3.24.130724 H: found=0, std=0, add=415, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 408 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 47 SER OG : rot 160:sc= 1.31 USER MOD Set 1.2: A 51 HIS : no HD1:sc= 1.06 K(o=2.4,f=-4.4!) USER MOD Set 2.1: A 12 CYS SG : rot 180:sc= -0.653 USER MOD Set 2.2: A 14 HIS : no HD1:sc= 0 X(o=-0.44,f=-0.44) USER MOD Set 2.3: A 15 CYS SG : rot 82:sc= 0.213 USER MOD Set 2.4: A 61 TYR OH : rot -40:sc= 0.00305 USER MOD Set 3.1: A 6 HIS : no HD1:sc= -0.0659 K(o=0.72,f=0.17) USER MOD Set 3.2: A 40 THR OG1 : rot 62:sc= 0.783 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 10 MET CE :methyl -120:sc= -0.14 (180deg=-1.06) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot -76:sc= 0.578 USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 38 SER OG : rot 105:sc= 0.0855 USER MOD Single : A 57 THR OG1 : rot -7:sc= 0.621 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N LEU A 3 3.659 -9.415 -1.926 1.00 0.00 N ATOM 19 CA LEU A 3 3.015 -9.252 -0.626 1.00 0.00 C ATOM 20 C LEU A 3 1.606 -8.689 -0.784 1.00 0.00 C ATOM 21 O LEU A 3 1.359 -7.833 -1.631 1.00 0.00 O ATOM 22 CB LEU A 3 3.858 -8.340 0.274 1.00 0.00 C ATOM 23 CG LEU A 3 5.291 -8.822 0.532 1.00 0.00 C ATOM 24 CD1 LEU A 3 6.060 -7.773 1.325 1.00 0.00 C ATOM 25 CD2 LEU A 3 5.256 -10.146 1.281 1.00 0.00 C ATOM 0 HA LEU A 3 2.938 -10.233 -0.157 1.00 0.00 H new ATOM 0 HB2 LEU A 3 3.901 -7.349 -0.178 1.00 0.00 H new ATOM 0 HB3 LEU A 3 3.350 -8.232 1.232 1.00 0.00 H new ATOM 0 HG LEU A 3 5.801 -8.972 -0.420 1.00 0.00 H new ATOM 0 HD11 LEU A 3 7.076 -8.124 1.503 1.00 0.00 H new ATOM 0 HD12 LEU A 3 6.092 -6.841 0.760 1.00 0.00 H new ATOM 0 HD13 LEU A 3 5.563 -7.602 2.280 1.00 0.00 H new ATOM 0 HD21 LEU A 3 6.275 -10.488 1.464 1.00 0.00 H new ATOM 0 HD22 LEU A 3 4.742 -10.012 2.233 1.00 0.00 H new ATOM 0 HD23 LEU A 3 4.726 -10.888 0.684 1.00 0.00 H new ATOM 37 N SER A 4 0.684 -9.178 0.040 1.00 0.00 N ATOM 38 CA SER A 4 -0.691 -8.694 0.022 1.00 0.00 C ATOM 39 C SER A 4 -1.099 -8.167 1.394 1.00 0.00 C ATOM 40 O SER A 4 -0.923 -8.840 2.409 1.00 0.00 O ATOM 41 CB SER A 4 -1.631 -9.798 -0.422 1.00 0.00 C ATOM 42 OG SER A 4 -2.970 -9.389 -0.405 1.00 0.00 O ATOM 0 H SER A 4 0.865 -9.909 0.728 1.00 0.00 H new ATOM 0 HA SER A 4 -0.755 -7.872 -0.690 1.00 0.00 H new ATOM 0 HB2 SER A 4 -1.363 -10.118 -1.429 1.00 0.00 H new ATOM 0 HB3 SER A 4 -1.508 -10.662 0.231 1.00 0.00 H new ATOM 0 HG SER A 4 -3.542 -10.129 -0.699 1.00 0.00 H new ATOM 48 N PHE A 5 -1.645 -6.954 1.416 1.00 0.00 N ATOM 49 CA PHE A 5 -2.058 -6.325 2.665 1.00 0.00 C ATOM 50 C PHE A 5 -3.404 -5.624 2.501 1.00 0.00 C ATOM 51 O PHE A 5 -3.598 -4.839 1.573 1.00 0.00 O ATOM 52 CB PHE A 5 -0.997 -5.330 3.142 1.00 0.00 C ATOM 53 CG PHE A 5 -1.308 -4.704 4.471 1.00 0.00 C ATOM 54 CD1 PHE A 5 -1.154 -5.425 5.647 1.00 0.00 C ATOM 55 CD2 PHE A 5 -1.754 -3.394 4.550 1.00 0.00 C ATOM 56 CE1 PHE A 5 -1.438 -4.850 6.870 1.00 0.00 C ATOM 57 CE2 PHE A 5 -2.038 -2.816 5.772 1.00 0.00 C ATOM 58 CZ PHE A 5 -1.881 -3.545 6.933 1.00 0.00 C ATOM 0 H PHE A 5 -1.811 -6.388 0.584 1.00 0.00 H new ATOM 0 HA PHE A 5 -2.167 -7.106 3.417 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -0.036 -5.841 3.207 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -0.889 -4.543 2.396 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -0.808 -6.447 5.605 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -1.881 -2.818 3.645 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -1.313 -5.422 7.777 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -2.383 -1.794 5.819 1.00 0.00 H new ATOM 0 HZ PHE A 5 -2.104 -3.095 7.889 1.00 0.00 H new ATOM 68 N HIS A 6 -4.329 -5.913 3.410 1.00 0.00 N ATOM 69 CA HIS A 6 -5.685 -5.382 3.316 1.00 0.00 C ATOM 70 C HIS A 6 -5.829 -4.107 4.141 1.00 0.00 C ATOM 71 O HIS A 6 -5.403 -4.051 5.294 1.00 0.00 O ATOM 72 CB HIS A 6 -6.709 -6.425 3.775 1.00 0.00 C ATOM 73 CG HIS A 6 -8.130 -6.021 3.532 1.00 0.00 C ATOM 74 ND1 HIS A 6 -8.804 -5.141 4.353 1.00 0.00 N ATOM 75 CD2 HIS A 6 -9.005 -6.378 2.563 1.00 0.00 C ATOM 76 CE1 HIS A 6 -10.033 -4.972 3.896 1.00 0.00 C ATOM 77 NE2 HIS A 6 -10.179 -5.711 2.812 1.00 0.00 N ATOM 0 H HIS A 6 -4.165 -6.511 4.220 1.00 0.00 H new ATOM 0 HA HIS A 6 -5.877 -5.141 2.271 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -6.514 -7.365 3.258 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -6.571 -6.613 4.840 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -8.815 -7.060 1.747 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -10.789 -4.337 4.335 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -11.028 -5.776 2.250 1.00 0.00 H new ATOM 84 N VAL A 7 -6.430 -3.084 3.541 1.00 0.00 N ATOM 85 CA VAL A 7 -6.641 -1.814 4.224 1.00 0.00 C ATOM 86 C VAL A 7 -8.110 -1.408 4.189 1.00 0.00 C ATOM 87 O VAL A 7 -8.664 -1.139 3.125 1.00 0.00 O ATOM 88 CB VAL A 7 -5.791 -0.689 3.602 1.00 0.00 C ATOM 89 CG1 VAL A 7 -6.034 0.625 4.329 1.00 0.00 C ATOM 90 CG2 VAL A 7 -4.316 -1.053 3.639 1.00 0.00 C ATOM 0 H VAL A 7 -6.779 -3.111 2.583 1.00 0.00 H new ATOM 0 HA VAL A 7 -6.332 -1.958 5.259 1.00 0.00 H new ATOM 0 HB VAL A 7 -6.089 -0.567 2.561 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.426 1.409 3.877 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -7.088 0.894 4.253 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -5.763 0.515 5.379 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -3.731 -0.247 3.196 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -4.004 -1.202 4.673 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -4.154 -1.972 3.075 1.00 0.00 H new ATOM 100 N GLU A 8 -8.735 -1.364 5.362 1.00 0.00 N ATOM 101 CA GLU A 8 -10.167 -1.107 5.455 1.00 0.00 C ATOM 102 C GLU A 8 -10.488 0.329 5.051 1.00 0.00 C ATOM 103 O GLU A 8 -11.573 0.614 4.543 1.00 0.00 O ATOM 104 CB GLU A 8 -10.671 -1.382 6.874 1.00 0.00 C ATOM 105 CG GLU A 8 -10.674 -2.853 7.266 1.00 0.00 C ATOM 106 CD GLU A 8 -11.143 -3.040 8.682 1.00 0.00 C ATOM 107 OE1 GLU A 8 -11.413 -2.059 9.332 1.00 0.00 O ATOM 108 OE2 GLU A 8 -11.339 -4.164 9.078 1.00 0.00 O ATOM 0 H GLU A 8 -8.272 -1.503 6.260 1.00 0.00 H new ATOM 0 HA GLU A 8 -10.677 -1.781 4.766 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -10.050 -0.832 7.580 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -11.684 -0.991 6.969 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -11.322 -3.410 6.589 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -9.670 -3.263 7.156 1.00 0.00 H new ATOM 115 N ASP A 9 -9.538 1.229 5.280 1.00 0.00 N ATOM 116 CA ASP A 9 -9.774 2.655 5.094 1.00 0.00 C ATOM 117 C ASP A 9 -9.849 3.006 3.611 1.00 0.00 C ATOM 118 O ASP A 9 -10.298 4.090 3.240 1.00 0.00 O ATOM 119 CB ASP A 9 -8.676 3.475 5.777 1.00 0.00 C ATOM 120 CG ASP A 9 -8.789 3.536 7.294 1.00 0.00 C ATOM 121 OD1 ASP A 9 -9.811 3.151 7.811 1.00 0.00 O ATOM 122 OD2 ASP A 9 -7.803 3.817 7.932 1.00 0.00 O ATOM 0 H ASP A 9 -8.596 0.995 5.595 1.00 0.00 H new ATOM 0 HA ASP A 9 -10.731 2.901 5.553 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -7.706 3.052 5.514 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -8.699 4.491 5.382 1.00 0.00 H new ATOM 127 N MET A 10 -9.402 2.080 2.767 1.00 0.00 N ATOM 128 CA MET A 10 -9.416 2.293 1.324 1.00 0.00 C ATOM 129 C MET A 10 -10.846 2.368 0.799 1.00 0.00 C ATOM 130 O MET A 10 -11.682 1.523 1.120 1.00 0.00 O ATOM 131 CB MET A 10 -8.649 1.176 0.618 1.00 0.00 C ATOM 132 CG MET A 10 -7.140 1.231 0.809 1.00 0.00 C ATOM 133 SD MET A 10 -6.288 -0.150 0.019 1.00 0.00 S ATOM 134 CE MET A 10 -6.468 0.287 -1.708 1.00 0.00 C ATOM 0 H MET A 10 -9.027 1.177 3.057 1.00 0.00 H new ATOM 0 HA MET A 10 -8.927 3.244 1.114 1.00 0.00 H new ATOM 0 HB2 MET A 10 -9.014 0.215 0.981 1.00 0.00 H new ATOM 0 HB3 MET A 10 -8.870 1.218 -0.449 1.00 0.00 H new ATOM 0 HG2 MET A 10 -6.760 2.168 0.402 1.00 0.00 H new ATOM 0 HG3 MET A 10 -6.912 1.231 1.875 1.00 0.00 H new ATOM 0 HE1 MET A 10 -7.013 -0.501 -2.228 1.00 0.00 H new ATOM 0 HE2 MET A 10 -7.018 1.224 -1.791 1.00 0.00 H new ATOM 0 HE3 MET A 10 -5.482 0.404 -2.158 1.00 0.00 H new ATOM 144 N THR A 11 -11.121 3.387 -0.011 1.00 0.00 N ATOM 145 CA THR A 11 -12.453 3.580 -0.571 1.00 0.00 C ATOM 146 C THR A 11 -12.403 3.667 -2.091 1.00 0.00 C ATOM 147 O THR A 11 -13.068 2.897 -2.789 1.00 0.00 O ATOM 148 CB THR A 11 -13.121 4.851 -0.015 1.00 0.00 C ATOM 149 OG1 THR A 11 -13.178 4.777 1.415 1.00 0.00 O ATOM 150 CG2 THR A 11 -14.529 4.998 -0.568 1.00 0.00 C ATOM 0 H THR A 11 -10.439 4.091 -0.293 1.00 0.00 H new ATOM 0 HA THR A 11 -13.046 2.713 -0.279 1.00 0.00 H new ATOM 0 HB THR A 11 -12.531 5.716 -0.318 1.00 0.00 H new ATOM 0 HG1 THR A 11 -13.602 5.587 1.768 1.00 0.00 H new ATOM 0 HG21 THR A 11 -14.986 5.902 -0.164 1.00 0.00 H new ATOM 0 HG22 THR A 11 -14.488 5.067 -1.655 1.00 0.00 H new ATOM 0 HG23 THR A 11 -15.125 4.131 -0.282 1.00 0.00 H new ATOM 158 N CYS A 12 -11.613 4.603 -2.602 1.00 0.00 N ATOM 159 CA CYS A 12 -11.511 4.820 -4.040 1.00 0.00 C ATOM 160 C CYS A 12 -10.058 5.023 -4.458 1.00 0.00 C ATOM 161 O CYS A 12 -9.151 4.981 -3.628 1.00 0.00 O ATOM 162 CB CYS A 12 -12.318 6.101 -4.247 1.00 0.00 C ATOM 163 SG CYS A 12 -11.650 7.552 -3.398 1.00 0.00 S ATOM 0 H CYS A 12 -11.032 5.226 -2.040 1.00 0.00 H new ATOM 0 HA CYS A 12 -11.874 3.978 -4.630 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -12.372 6.313 -5.315 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -13.339 5.932 -3.903 1.00 0.00 H new ATOM 0 HG CYS A 12 -12.405 8.582 -3.640 1.00 0.00 H new ATOM 169 N GLY A 13 -9.845 5.240 -5.753 1.00 0.00 N ATOM 170 CA GLY A 13 -8.495 5.352 -6.274 1.00 0.00 C ATOM 171 C GLY A 13 -7.739 6.523 -5.680 1.00 0.00 C ATOM 172 O GLY A 13 -6.511 6.572 -5.739 1.00 0.00 O ATOM 0 H GLY A 13 -10.583 5.340 -6.450 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -7.951 4.430 -6.067 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -8.535 5.462 -7.358 1.00 0.00 H new ATOM 176 N HIS A 14 -8.475 7.472 -5.109 1.00 0.00 N ATOM 177 CA HIS A 14 -7.865 8.646 -4.494 1.00 0.00 C ATOM 178 C HIS A 14 -7.238 8.289 -3.149 1.00 0.00 C ATOM 179 O HIS A 14 -6.352 8.993 -2.661 1.00 0.00 O ATOM 180 CB HIS A 14 -8.896 9.763 -4.314 1.00 0.00 C ATOM 181 CG HIS A 14 -9.418 10.313 -5.606 1.00 0.00 C ATOM 182 ND1 HIS A 14 -8.656 11.108 -6.437 1.00 0.00 N ATOM 183 CD2 HIS A 14 -10.624 10.185 -6.208 1.00 0.00 C ATOM 184 CE1 HIS A 14 -9.372 11.444 -7.496 1.00 0.00 C ATOM 185 NE2 HIS A 14 -10.568 10.897 -7.380 1.00 0.00 N ATOM 0 H HIS A 14 -9.494 7.451 -5.059 1.00 0.00 H new ATOM 0 HA HIS A 14 -7.079 9.002 -5.160 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -9.732 9.383 -3.727 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -8.445 10.573 -3.740 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -11.471 9.627 -5.836 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -9.036 12.061 -8.316 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -11.329 10.989 -8.053 1.00 0.00 H new ATOM 192 N CYS A 15 -7.703 7.195 -2.556 1.00 0.00 N ATOM 193 CA CYS A 15 -7.103 6.677 -1.332 1.00 0.00 C ATOM 194 C CYS A 15 -5.989 5.685 -1.650 1.00 0.00 C ATOM 195 O CYS A 15 -4.959 5.657 -0.977 1.00 0.00 O ATOM 196 CB CYS A 15 -8.277 5.970 -0.653 1.00 0.00 C ATOM 197 SG CYS A 15 -9.627 7.068 -0.157 1.00 0.00 S ATOM 0 H CYS A 15 -8.493 6.650 -2.903 1.00 0.00 H new ATOM 0 HA CYS A 15 -6.645 7.450 -0.715 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -8.671 5.214 -1.332 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -7.909 5.446 0.229 1.00 0.00 H new ATOM 0 HG CYS A 15 -10.389 7.309 -1.182 1.00 0.00 H new ATOM 203 N ALA A 16 -6.204 4.871 -2.678 1.00 0.00 N ATOM 204 CA ALA A 16 -5.189 3.928 -3.131 1.00 0.00 C ATOM 205 C ALA A 16 -3.949 4.657 -3.640 1.00 0.00 C ATOM 206 O ALA A 16 -2.824 4.202 -3.438 1.00 0.00 O ATOM 207 CB ALA A 16 -5.755 3.025 -4.218 1.00 0.00 C ATOM 0 H ALA A 16 -7.072 4.846 -3.213 1.00 0.00 H new ATOM 0 HA ALA A 16 -4.894 3.314 -2.280 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -4.986 2.326 -4.547 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -6.606 2.470 -3.823 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -6.079 3.632 -5.063 1.00 0.00 H new ATOM 213 N GLY A 17 -4.163 5.790 -4.300 1.00 0.00 N ATOM 214 CA GLY A 17 -3.056 6.548 -4.851 1.00 0.00 C ATOM 215 C GLY A 17 -2.106 7.047 -3.781 1.00 0.00 C ATOM 216 O GLY A 17 -0.892 7.068 -3.978 1.00 0.00 O ATOM 0 H GLY A 17 -5.084 6.197 -4.463 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -2.508 5.924 -5.557 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -3.445 7.398 -5.412 1.00 0.00 H new ATOM 220 N VAL A 18 -2.659 7.454 -2.642 1.00 0.00 N ATOM 221 CA VAL A 18 -1.854 7.963 -1.539 1.00 0.00 C ATOM 222 C VAL A 18 -0.942 6.878 -0.978 1.00 0.00 C ATOM 223 O VAL A 18 0.229 7.125 -0.691 1.00 0.00 O ATOM 224 CB VAL A 18 -2.738 8.518 -0.405 1.00 0.00 C ATOM 225 CG1 VAL A 18 -1.884 8.902 0.794 1.00 0.00 C ATOM 226 CG2 VAL A 18 -3.540 9.715 -0.891 1.00 0.00 C ATOM 0 H VAL A 18 -3.663 7.441 -2.460 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.244 8.773 -1.940 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.435 7.738 -0.098 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.523 9.292 1.586 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.351 8.023 1.157 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.165 9.666 0.499 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -4.158 10.093 -0.077 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.859 10.498 -1.224 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -4.178 9.412 -1.721 1.00 0.00 H new ATOM 236 N ILE A 19 -1.488 5.678 -0.822 1.00 0.00 N ATOM 237 CA ILE A 19 -0.702 4.533 -0.376 1.00 0.00 C ATOM 238 C ILE A 19 0.406 4.206 -1.372 1.00 0.00 C ATOM 239 O ILE A 19 1.550 3.964 -0.985 1.00 0.00 O ATOM 240 CB ILE A 19 -1.583 3.287 -0.175 1.00 0.00 C ATOM 241 CG1 ILE A 19 -2.536 3.492 1.006 1.00 0.00 C ATOM 242 CG2 ILE A 19 -0.719 2.054 0.042 1.00 0.00 C ATOM 243 CD1 ILE A 19 -3.615 2.438 1.110 1.00 0.00 C ATOM 0 H ILE A 19 -2.471 5.472 -0.998 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.258 4.809 0.580 1.00 0.00 H new ATOM 0 HB ILE A 19 -2.178 3.134 -1.075 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -1.958 3.499 1.930 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -3.006 4.472 0.916 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.358 1.182 0.182 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -0.080 1.900 -0.828 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -0.099 2.196 0.927 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -4.250 2.651 1.970 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -4.219 2.445 0.203 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -3.155 1.457 1.232 1.00 0.00 H new ATOM 255 N LYS A 20 0.061 4.203 -2.653 1.00 0.00 N ATOM 256 CA LYS A 20 1.034 3.944 -3.708 1.00 0.00 C ATOM 257 C LYS A 20 2.166 4.964 -3.665 1.00 0.00 C ATOM 258 O LYS A 20 3.337 4.612 -3.802 1.00 0.00 O ATOM 259 CB LYS A 20 0.356 3.962 -5.079 1.00 0.00 C ATOM 260 CG LYS A 20 1.300 3.725 -6.250 1.00 0.00 C ATOM 261 CD LYS A 20 0.539 3.633 -7.564 1.00 0.00 C ATOM 262 CE LYS A 20 1.484 3.416 -8.737 1.00 0.00 C ATOM 263 NZ LYS A 20 0.754 3.334 -10.032 1.00 0.00 N ATOM 0 H LYS A 20 -0.887 4.377 -2.988 1.00 0.00 H new ATOM 0 HA LYS A 20 1.458 2.954 -3.541 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -0.423 3.200 -5.096 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -0.137 4.925 -5.214 1.00 0.00 H new ATOM 0 HG2 LYS A 20 2.026 4.536 -6.304 1.00 0.00 H new ATOM 0 HG3 LYS A 20 1.861 2.805 -6.087 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.177 2.813 -7.515 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.033 4.547 -7.720 1.00 0.00 H new ATOM 0 HE2 LYS A 20 2.205 4.233 -8.778 1.00 0.00 H new ATOM 0 HE3 LYS A 20 2.051 2.498 -8.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 1.434 3.186 -10.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 0.084 2.539 -10.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 0.233 4.220 -10.194 1.00 0.00 H new ATOM 277 N GLY A 21 1.810 6.231 -3.473 1.00 0.00 N ATOM 278 CA GLY A 21 2.809 7.281 -3.412 1.00 0.00 C ATOM 279 C GLY A 21 3.745 7.125 -2.229 1.00 0.00 C ATOM 280 O GLY A 21 4.949 7.339 -2.351 1.00 0.00 O ATOM 0 H GLY A 21 0.847 6.548 -3.359 1.00 0.00 H new ATOM 0 HA2 GLY A 21 3.391 7.279 -4.334 1.00 0.00 H new ATOM 0 HA3 GLY A 21 2.311 8.249 -3.352 1.00 0.00 H new ATOM 284 N ALA A 22 3.189 6.751 -1.082 1.00 0.00 N ATOM 285 CA ALA A 22 3.984 6.548 0.123 1.00 0.00 C ATOM 286 C ALA A 22 4.973 5.403 -0.060 1.00 0.00 C ATOM 287 O ALA A 22 6.128 5.496 0.359 1.00 0.00 O ATOM 288 CB ALA A 22 3.077 6.280 1.314 1.00 0.00 C ATOM 0 H ALA A 22 2.190 6.582 -0.961 1.00 0.00 H new ATOM 0 HA ALA A 22 4.553 7.458 0.312 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.684 6.130 2.207 1.00 0.00 H new ATOM 0 HB2 ALA A 22 2.413 7.131 1.465 1.00 0.00 H new ATOM 0 HB3 ALA A 22 2.483 5.386 1.125 1.00 0.00 H new ATOM 294 N ILE A 23 4.516 4.325 -0.687 1.00 0.00 N ATOM 295 CA ILE A 23 5.360 3.159 -0.918 1.00 0.00 C ATOM 296 C ILE A 23 6.516 3.494 -1.855 1.00 0.00 C ATOM 297 O ILE A 23 7.671 3.181 -1.567 1.00 0.00 O ATOM 298 CB ILE A 23 4.556 1.986 -1.508 1.00 0.00 C ATOM 299 CG1 ILE A 23 3.572 1.439 -0.470 1.00 0.00 C ATOM 300 CG2 ILE A 23 5.491 0.889 -1.990 1.00 0.00 C ATOM 301 CD1 ILE A 23 2.558 0.473 -1.040 1.00 0.00 C ATOM 0 H ILE A 23 3.565 4.234 -1.045 1.00 0.00 H new ATOM 0 HA ILE A 23 5.757 2.861 0.052 1.00 0.00 H new ATOM 0 HB ILE A 23 3.987 2.351 -2.363 1.00 0.00 H new ATOM 0 HG12 ILE A 23 4.132 0.939 0.320 1.00 0.00 H new ATOM 0 HG13 ILE A 23 3.045 2.274 -0.008 1.00 0.00 H new ATOM 0 HG21 ILE A 23 4.906 0.068 -2.404 1.00 0.00 H new ATOM 0 HG22 ILE A 23 6.153 1.287 -2.759 1.00 0.00 H new ATOM 0 HG23 ILE A 23 6.086 0.524 -1.153 1.00 0.00 H new ATOM 0 HD11 ILE A 23 1.896 0.129 -0.245 1.00 0.00 H new ATOM 0 HD12 ILE A 23 1.971 0.974 -1.810 1.00 0.00 H new ATOM 0 HD13 ILE A 23 3.075 -0.381 -1.477 1.00 0.00 H new ATOM 313 N GLU A 24 6.195 4.134 -2.975 1.00 0.00 N ATOM 314 CA GLU A 24 7.205 4.487 -3.968 1.00 0.00 C ATOM 315 C GLU A 24 8.194 5.502 -3.400 1.00 0.00 C ATOM 316 O GLU A 24 9.389 5.446 -3.687 1.00 0.00 O ATOM 317 CB GLU A 24 6.544 5.042 -5.231 1.00 0.00 C ATOM 318 CG GLU A 24 5.809 4.003 -6.066 1.00 0.00 C ATOM 319 CD GLU A 24 5.113 4.636 -7.238 1.00 0.00 C ATOM 320 OE1 GLU A 24 5.136 5.838 -7.340 1.00 0.00 O ATOM 321 OE2 GLU A 24 4.656 3.913 -8.093 1.00 0.00 O ATOM 0 H GLU A 24 5.246 4.418 -3.218 1.00 0.00 H new ATOM 0 HA GLU A 24 7.754 3.582 -4.229 1.00 0.00 H new ATOM 0 HB2 GLU A 24 5.840 5.824 -4.944 1.00 0.00 H new ATOM 0 HB3 GLU A 24 7.308 5.512 -5.849 1.00 0.00 H new ATOM 0 HG2 GLU A 24 6.516 3.253 -6.422 1.00 0.00 H new ATOM 0 HG3 GLU A 24 5.080 3.484 -5.444 1.00 0.00 H new ATOM 328 N LYS A 25 7.685 6.428 -2.596 1.00 0.00 N ATOM 329 CA LYS A 25 8.511 7.491 -2.034 1.00 0.00 C ATOM 330 C LYS A 25 9.546 6.921 -1.068 1.00 0.00 C ATOM 331 O LYS A 25 10.717 7.301 -1.102 1.00 0.00 O ATOM 332 CB LYS A 25 7.641 8.529 -1.323 1.00 0.00 C ATOM 333 CG LYS A 25 8.413 9.710 -0.751 1.00 0.00 C ATOM 334 CD LYS A 25 7.474 10.752 -0.161 1.00 0.00 C ATOM 335 CE LYS A 25 8.245 11.917 0.439 1.00 0.00 C ATOM 336 NZ LYS A 25 7.340 12.930 1.048 1.00 0.00 N ATOM 0 H LYS A 25 6.704 6.465 -2.318 1.00 0.00 H new ATOM 0 HA LYS A 25 9.037 7.979 -2.855 1.00 0.00 H new ATOM 0 HB2 LYS A 25 6.896 8.903 -2.025 1.00 0.00 H new ATOM 0 HB3 LYS A 25 7.099 8.039 -0.514 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.100 9.359 0.019 1.00 0.00 H new ATOM 0 HG3 LYS A 25 9.018 10.165 -1.535 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.802 11.119 -0.937 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.853 10.291 0.607 1.00 0.00 H new ATOM 0 HE2 LYS A 25 8.934 11.544 1.197 1.00 0.00 H new ATOM 0 HE3 LYS A 25 8.849 12.389 -0.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 7.906 13.707 1.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.699 13.305 0.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.782 12.486 1.805 1.00 0.00 H new ATOM 350 N THR A 26 9.107 6.007 -0.208 1.00 0.00 N ATOM 351 CA THR A 26 9.966 5.470 0.838 1.00 0.00 C ATOM 352 C THR A 26 10.707 4.227 0.358 1.00 0.00 C ATOM 353 O THR A 26 11.727 3.840 0.929 1.00 0.00 O ATOM 354 CB THR A 26 9.162 5.119 2.105 1.00 0.00 C ATOM 355 OG1 THR A 26 8.195 4.108 1.794 1.00 0.00 O ATOM 356 CG2 THR A 26 8.449 6.351 2.642 1.00 0.00 C ATOM 0 H THR A 26 8.162 5.624 -0.216 1.00 0.00 H new ATOM 0 HA THR A 26 10.689 6.249 1.082 1.00 0.00 H new ATOM 0 HB THR A 26 9.851 4.751 2.865 1.00 0.00 H new ATOM 0 HG1 THR A 26 7.442 4.512 1.314 1.00 0.00 H new ATOM 0 HG21 THR A 26 7.886 6.085 3.537 1.00 0.00 H new ATOM 0 HG22 THR A 26 9.183 7.117 2.890 1.00 0.00 H new ATOM 0 HG23 THR A 26 7.766 6.735 1.885 1.00 0.00 H new ATOM 364 N VAL A 27 10.188 3.604 -0.696 1.00 0.00 N ATOM 365 CA VAL A 27 10.827 2.435 -1.285 1.00 0.00 C ATOM 366 C VAL A 27 10.930 2.569 -2.800 1.00 0.00 C ATOM 367 O VAL A 27 9.967 2.346 -3.534 1.00 0.00 O ATOM 368 CB VAL A 27 10.065 1.142 -0.944 1.00 0.00 C ATOM 369 CG1 VAL A 27 10.768 -0.067 -1.545 1.00 0.00 C ATOM 370 CG2 VAL A 27 9.932 0.983 0.563 1.00 0.00 C ATOM 0 H VAL A 27 9.326 3.891 -1.159 1.00 0.00 H new ATOM 0 HA VAL A 27 11.829 2.377 -0.859 1.00 0.00 H new ATOM 0 HB VAL A 27 9.066 1.209 -1.374 1.00 0.00 H new ATOM 0 HG11 VAL A 27 10.215 -0.972 -1.293 1.00 0.00 H new ATOM 0 HG12 VAL A 27 10.814 0.041 -2.629 1.00 0.00 H new ATOM 0 HG13 VAL A 27 11.779 -0.137 -1.144 1.00 0.00 H new ATOM 0 HG21 VAL A 27 9.391 0.063 0.785 1.00 0.00 H new ATOM 0 HG22 VAL A 27 10.924 0.938 1.013 1.00 0.00 H new ATOM 0 HG23 VAL A 27 9.386 1.833 0.972 1.00 0.00 H new ATOM 380 N PRO A 28 12.124 2.943 -3.281 1.00 0.00 N ATOM 381 CA PRO A 28 12.374 3.141 -4.711 1.00 0.00 C ATOM 382 C PRO A 28 12.367 1.829 -5.489 1.00 0.00 C ATOM 383 O PRO A 28 12.942 0.833 -5.050 1.00 0.00 O ATOM 384 CB PRO A 28 13.747 3.819 -4.756 1.00 0.00 C ATOM 385 CG PRO A 28 14.416 3.387 -3.496 1.00 0.00 C ATOM 386 CD PRO A 28 13.317 3.302 -2.470 1.00 0.00 C ATOM 0 HA PRO A 28 11.594 3.739 -5.183 1.00 0.00 H new ATOM 0 HB2 PRO A 28 14.314 3.509 -5.633 1.00 0.00 H new ATOM 0 HB3 PRO A 28 13.653 4.904 -4.804 1.00 0.00 H new ATOM 0 HG2 PRO A 28 14.910 2.424 -3.624 1.00 0.00 H new ATOM 0 HG3 PRO A 28 15.182 4.101 -3.193 1.00 0.00 H new ATOM 0 HD2 PRO A 28 13.531 2.548 -1.712 1.00 0.00 H new ATOM 0 HD3 PRO A 28 13.179 4.249 -1.948 1.00 0.00 H new ATOM 394 N GLY A 29 11.712 1.834 -6.645 1.00 0.00 N ATOM 395 CA GLY A 29 11.660 0.644 -7.475 1.00 0.00 C ATOM 396 C GLY A 29 10.545 -0.299 -7.069 1.00 0.00 C ATOM 397 O GLY A 29 10.455 -1.417 -7.572 1.00 0.00 O ATOM 0 H GLY A 29 11.216 2.641 -7.022 1.00 0.00 H new ATOM 0 HA2 GLY A 29 11.523 0.937 -8.516 1.00 0.00 H new ATOM 0 HA3 GLY A 29 12.614 0.121 -7.414 1.00 0.00 H new ATOM 401 N ALA A 30 9.696 0.153 -6.151 1.00 0.00 N ATOM 402 CA ALA A 30 8.597 -0.668 -5.657 1.00 0.00 C ATOM 403 C ALA A 30 7.455 -0.720 -6.665 1.00 0.00 C ATOM 404 O ALA A 30 7.026 0.309 -7.186 1.00 0.00 O ATOM 405 CB ALA A 30 8.102 -0.138 -4.321 1.00 0.00 C ATOM 0 H ALA A 30 9.748 1.083 -5.735 1.00 0.00 H new ATOM 0 HA ALA A 30 8.968 -1.683 -5.517 1.00 0.00 H new ATOM 0 HB1 ALA A 30 7.282 -0.760 -3.964 1.00 0.00 H new ATOM 0 HB2 ALA A 30 8.916 -0.160 -3.597 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.753 0.887 -4.443 1.00 0.00 H new ATOM 411 N ALA A 31 6.964 -1.925 -6.935 1.00 0.00 N ATOM 412 CA ALA A 31 5.787 -2.100 -7.778 1.00 0.00 C ATOM 413 C ALA A 31 4.521 -2.220 -6.937 1.00 0.00 C ATOM 414 O ALA A 31 4.404 -3.114 -6.098 1.00 0.00 O ATOM 415 CB ALA A 31 5.950 -3.325 -8.666 1.00 0.00 C ATOM 0 H ALA A 31 7.363 -2.795 -6.582 1.00 0.00 H new ATOM 0 HA ALA A 31 5.690 -1.217 -8.410 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.064 -3.443 -9.290 1.00 0.00 H new ATOM 0 HB2 ALA A 31 6.827 -3.200 -9.301 1.00 0.00 H new ATOM 0 HB3 ALA A 31 6.076 -4.211 -8.044 1.00 0.00 H new ATOM 421 N VAL A 32 3.576 -1.313 -7.164 1.00 0.00 N ATOM 422 CA VAL A 32 2.357 -1.261 -6.366 1.00 0.00 C ATOM 423 C VAL A 32 1.125 -1.511 -7.228 1.00 0.00 C ATOM 424 O VAL A 32 0.859 -0.773 -8.177 1.00 0.00 O ATOM 425 CB VAL A 32 2.206 0.094 -5.650 1.00 0.00 C ATOM 426 CG1 VAL A 32 0.923 0.125 -4.834 1.00 0.00 C ATOM 427 CG2 VAL A 32 3.409 0.363 -4.758 1.00 0.00 C ATOM 0 H VAL A 32 3.632 -0.604 -7.895 1.00 0.00 H new ATOM 0 HA VAL A 32 2.438 -2.048 -5.616 1.00 0.00 H new ATOM 0 HB VAL A 32 2.154 0.878 -6.405 1.00 0.00 H new ATOM 0 HG11 VAL A 32 0.833 1.090 -4.335 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.068 -0.024 -5.494 1.00 0.00 H new ATOM 0 HG13 VAL A 32 0.947 -0.669 -4.087 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.285 1.325 -4.260 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.491 -0.425 -4.010 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.315 0.383 -5.364 1.00 0.00 H new ATOM 437 N HIS A 33 0.375 -2.556 -6.892 1.00 0.00 N ATOM 438 CA HIS A 33 -0.927 -2.792 -7.504 1.00 0.00 C ATOM 439 C HIS A 33 -2.037 -2.741 -6.458 1.00 0.00 C ATOM 440 O HIS A 33 -2.194 -3.665 -5.661 1.00 0.00 O ATOM 441 CB HIS A 33 -0.949 -4.141 -8.229 1.00 0.00 C ATOM 442 CG HIS A 33 0.111 -4.277 -9.279 1.00 0.00 C ATOM 443 ND1 HIS A 33 -0.019 -3.735 -10.541 1.00 0.00 N ATOM 444 CD2 HIS A 33 1.316 -4.893 -9.255 1.00 0.00 C ATOM 445 CE1 HIS A 33 1.064 -4.012 -11.247 1.00 0.00 C ATOM 446 NE2 HIS A 33 1.887 -4.713 -10.491 1.00 0.00 N ATOM 0 H HIS A 33 0.647 -3.253 -6.199 1.00 0.00 H new ATOM 0 HA HIS A 33 -1.102 -2.001 -8.233 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -0.827 -4.939 -7.497 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -1.926 -4.279 -8.692 1.00 0.00 H new ATOM 0 HD2 HIS A 33 1.747 -5.426 -8.421 1.00 0.00 H new ATOM 0 HE1 HIS A 33 1.244 -3.715 -12.269 1.00 0.00 H new ATOM 0 HE2 HIS A 33 2.800 -5.065 -10.778 1.00 0.00 H new ATOM 453 N ALA A 34 -2.802 -1.655 -6.467 1.00 0.00 N ATOM 454 CA ALA A 34 -3.789 -1.408 -5.423 1.00 0.00 C ATOM 455 C ALA A 34 -5.208 -1.529 -5.967 1.00 0.00 C ATOM 456 O ALA A 34 -5.494 -1.094 -7.083 1.00 0.00 O ATOM 457 CB ALA A 34 -3.574 -0.033 -4.809 1.00 0.00 C ATOM 0 H ALA A 34 -2.758 -0.932 -7.185 1.00 0.00 H new ATOM 0 HA ALA A 34 -3.659 -2.165 -4.650 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -4.318 0.138 -4.031 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -2.576 0.019 -4.375 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -3.674 0.730 -5.581 1.00 0.00 H new ATOM 463 N ASP A 35 -6.093 -2.122 -5.175 1.00 0.00 N ATOM 464 CA ASP A 35 -7.496 -2.248 -5.552 1.00 0.00 C ATOM 465 C ASP A 35 -8.405 -1.775 -4.423 1.00 0.00 C ATOM 466 O ASP A 35 -8.590 -2.456 -3.415 1.00 0.00 O ATOM 467 CB ASP A 35 -7.826 -3.695 -5.927 1.00 0.00 C ATOM 468 CG ASP A 35 -9.273 -3.923 -6.338 1.00 0.00 C ATOM 469 OD1 ASP A 35 -10.081 -3.055 -6.105 1.00 0.00 O ATOM 470 OD2 ASP A 35 -9.531 -4.888 -7.018 1.00 0.00 O ATOM 0 H ASP A 35 -5.864 -2.524 -4.266 1.00 0.00 H new ATOM 0 HA ASP A 35 -7.670 -1.615 -6.422 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -7.176 -4.003 -6.746 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -7.596 -4.339 -5.078 1.00 0.00 H new ATOM 475 N PRO A 36 -8.990 -0.579 -4.594 1.00 0.00 N ATOM 476 CA PRO A 36 -9.820 0.050 -3.564 1.00 0.00 C ATOM 477 C PRO A 36 -11.213 -0.568 -3.483 1.00 0.00 C ATOM 478 O PRO A 36 -11.884 -0.476 -2.458 1.00 0.00 O ATOM 479 CB PRO A 36 -9.909 1.509 -4.022 1.00 0.00 C ATOM 480 CG PRO A 36 -9.726 1.454 -5.499 1.00 0.00 C ATOM 481 CD PRO A 36 -8.759 0.330 -5.754 1.00 0.00 C ATOM 0 HA PRO A 36 -9.396 -0.074 -2.568 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -10.871 1.949 -3.758 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -9.139 2.120 -3.550 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -10.675 1.274 -6.004 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -9.336 2.398 -5.880 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -8.959 -0.167 -6.703 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -7.729 0.684 -5.791 1.00 0.00 H new ATOM 489 N ALA A 37 -11.638 -1.200 -4.573 1.00 0.00 N ATOM 490 CA ALA A 37 -12.868 -1.982 -4.571 1.00 0.00 C ATOM 491 C ALA A 37 -12.723 -3.229 -3.706 1.00 0.00 C ATOM 492 O ALA A 37 -13.667 -3.641 -3.031 1.00 0.00 O ATOM 493 CB ALA A 37 -13.253 -2.364 -5.993 1.00 0.00 C ATOM 0 H ALA A 37 -11.149 -1.185 -5.468 1.00 0.00 H new ATOM 0 HA ALA A 37 -13.661 -1.367 -4.145 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -14.173 -2.948 -5.976 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -13.407 -1.461 -6.583 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -12.455 -2.958 -6.439 1.00 0.00 H new ATOM 499 N SER A 38 -11.537 -3.827 -3.731 1.00 0.00 N ATOM 500 CA SER A 38 -11.238 -4.971 -2.877 1.00 0.00 C ATOM 501 C SER A 38 -10.528 -4.524 -1.602 1.00 0.00 C ATOM 502 O SER A 38 -10.267 -5.330 -0.709 1.00 0.00 O ATOM 503 CB SER A 38 -10.395 -5.982 -3.629 1.00 0.00 C ATOM 504 OG SER A 38 -11.071 -6.509 -4.737 1.00 0.00 O ATOM 0 H SER A 38 -10.766 -3.538 -4.334 1.00 0.00 H new ATOM 0 HA SER A 38 -12.178 -5.444 -2.593 1.00 0.00 H new ATOM 0 HB2 SER A 38 -9.471 -5.509 -3.960 1.00 0.00 H new ATOM 0 HB3 SER A 38 -10.115 -6.792 -2.956 1.00 0.00 H new ATOM 0 HG SER A 38 -10.717 -6.108 -5.558 1.00 0.00 H new ATOM 510 N ARG A 39 -10.217 -3.235 -1.526 1.00 0.00 N ATOM 511 CA ARG A 39 -9.579 -2.671 -0.343 1.00 0.00 C ATOM 512 C ARG A 39 -8.269 -3.390 -0.034 1.00 0.00 C ATOM 513 O ARG A 39 -7.893 -3.549 1.127 1.00 0.00 O ATOM 514 CB ARG A 39 -10.509 -2.660 0.862 1.00 0.00 C ATOM 515 CG ARG A 39 -11.692 -1.711 0.748 1.00 0.00 C ATOM 516 CD ARG A 39 -12.378 -1.431 2.036 1.00 0.00 C ATOM 517 NE ARG A 39 -13.074 -2.571 2.609 1.00 0.00 N ATOM 518 CZ ARG A 39 -13.552 -2.622 3.867 1.00 0.00 C ATOM 519 NH1 ARG A 39 -13.382 -1.618 4.698 1.00 0.00 N ATOM 520 NH2 ARG A 39 -14.180 -3.720 4.252 1.00 0.00 N ATOM 0 H ARG A 39 -10.397 -2.561 -2.270 1.00 0.00 H new ATOM 0 HA ARG A 39 -9.346 -1.630 -0.566 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -10.886 -3.670 1.021 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -9.931 -2.393 1.747 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -11.347 -0.769 0.321 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -12.415 -2.132 0.049 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -11.641 -1.072 2.755 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -13.094 -0.623 1.884 1.00 0.00 H new ATOM 0 HE ARG A 39 -13.210 -3.390 2.017 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -12.881 -0.783 4.394 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -13.751 -1.674 5.647 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -14.291 -4.498 3.602 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -14.553 -3.789 5.199 1.00 0.00 H new ATOM 534 N THR A 40 -7.579 -3.826 -1.084 1.00 0.00 N ATOM 535 CA THR A 40 -6.386 -4.648 -0.926 1.00 0.00 C ATOM 536 C THR A 40 -5.221 -4.085 -1.734 1.00 0.00 C ATOM 537 O THR A 40 -5.392 -3.665 -2.878 1.00 0.00 O ATOM 538 CB THR A 40 -6.642 -6.104 -1.356 1.00 0.00 C ATOM 539 OG1 THR A 40 -7.717 -6.652 -0.581 1.00 0.00 O ATOM 540 CG2 THR A 40 -5.393 -6.948 -1.151 1.00 0.00 C ATOM 0 H THR A 40 -7.826 -3.623 -2.053 1.00 0.00 H new ATOM 0 HA THR A 40 -6.131 -4.633 0.134 1.00 0.00 H new ATOM 0 HB THR A 40 -6.905 -6.114 -2.414 1.00 0.00 H new ATOM 0 HG1 THR A 40 -8.535 -6.140 -0.749 1.00 0.00 H new ATOM 0 HG21 THR A 40 -5.592 -7.974 -1.460 1.00 0.00 H new ATOM 0 HG22 THR A 40 -4.577 -6.541 -1.748 1.00 0.00 H new ATOM 0 HG23 THR A 40 -5.114 -6.934 -0.098 1.00 0.00 H new ATOM 548 N VAL A 41 -4.036 -4.082 -1.132 1.00 0.00 N ATOM 549 CA VAL A 41 -2.837 -3.602 -1.807 1.00 0.00 C ATOM 550 C VAL A 41 -1.834 -4.730 -2.016 1.00 0.00 C ATOM 551 O VAL A 41 -1.474 -5.438 -1.074 1.00 0.00 O ATOM 552 CB VAL A 41 -2.160 -2.465 -1.018 1.00 0.00 C ATOM 553 CG1 VAL A 41 -0.906 -1.991 -1.736 1.00 0.00 C ATOM 554 CG2 VAL A 41 -3.126 -1.308 -0.815 1.00 0.00 C ATOM 0 H VAL A 41 -3.881 -4.407 -0.178 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.155 -3.218 -2.776 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.872 -2.850 -0.039 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -0.441 -1.188 -1.164 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.206 -2.821 -1.831 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -1.171 -1.624 -2.728 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.631 -0.514 -0.256 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.444 -0.925 -1.785 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.997 -1.655 -0.259 1.00 0.00 H new ATOM 564 N VAL A 42 -1.385 -4.895 -3.256 1.00 0.00 N ATOM 565 CA VAL A 42 -0.356 -5.876 -3.574 1.00 0.00 C ATOM 566 C VAL A 42 0.967 -5.198 -3.911 1.00 0.00 C ATOM 567 O VAL A 42 1.031 -4.343 -4.795 1.00 0.00 O ATOM 568 CB VAL A 42 -0.776 -6.776 -4.752 1.00 0.00 C ATOM 569 CG1 VAL A 42 0.331 -7.762 -5.092 1.00 0.00 C ATOM 570 CG2 VAL A 42 -2.064 -7.515 -4.425 1.00 0.00 C ATOM 0 H VAL A 42 -1.719 -4.360 -4.058 1.00 0.00 H new ATOM 0 HA VAL A 42 -0.227 -6.494 -2.686 1.00 0.00 H new ATOM 0 HB VAL A 42 -0.952 -6.143 -5.622 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.016 -8.389 -5.926 1.00 0.00 H new ATOM 0 HG12 VAL A 42 1.233 -7.216 -5.369 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.539 -8.389 -4.225 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.346 -8.146 -5.268 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.913 -8.136 -3.542 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -2.858 -6.794 -4.230 1.00 0.00 H new ATOM 580 N VAL A 43 2.023 -5.586 -3.202 1.00 0.00 N ATOM 581 CA VAL A 43 3.313 -4.917 -3.324 1.00 0.00 C ATOM 582 C VAL A 43 4.402 -5.898 -3.742 1.00 0.00 C ATOM 583 O VAL A 43 4.509 -6.995 -3.196 1.00 0.00 O ATOM 584 CB VAL A 43 3.726 -4.239 -2.003 1.00 0.00 C ATOM 585 CG1 VAL A 43 5.056 -3.520 -2.168 1.00 0.00 C ATOM 586 CG2 VAL A 43 2.649 -3.267 -1.546 1.00 0.00 C ATOM 0 H VAL A 43 2.010 -6.360 -2.538 1.00 0.00 H new ATOM 0 HA VAL A 43 3.200 -4.153 -4.093 1.00 0.00 H new ATOM 0 HB VAL A 43 3.842 -5.009 -1.241 1.00 0.00 H new ATOM 0 HG11 VAL A 43 5.333 -3.047 -1.226 1.00 0.00 H new ATOM 0 HG12 VAL A 43 5.825 -4.238 -2.453 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.965 -2.759 -2.943 1.00 0.00 H new ATOM 0 HG21 VAL A 43 2.956 -2.797 -0.612 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.504 -2.501 -2.307 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.714 -3.806 -1.391 1.00 0.00 H new ATOM 596 N GLY A 44 5.211 -5.496 -4.717 1.00 0.00 N ATOM 597 CA GLY A 44 6.290 -6.344 -5.184 1.00 0.00 C ATOM 598 C GLY A 44 7.433 -6.429 -4.192 1.00 0.00 C ATOM 599 O GLY A 44 7.263 -6.126 -3.011 1.00 0.00 O ATOM 0 H GLY A 44 5.138 -4.596 -5.192 1.00 0.00 H new ATOM 0 HA2 GLY A 44 5.904 -7.345 -5.375 1.00 0.00 H new ATOM 0 HA3 GLY A 44 6.665 -5.960 -6.133 1.00 0.00 H new ATOM 603 N GLY A 45 8.602 -6.843 -4.671 1.00 0.00 N ATOM 604 CA GLY A 45 9.741 -7.029 -3.789 1.00 0.00 C ATOM 605 C GLY A 45 10.074 -5.777 -3.002 1.00 0.00 C ATOM 606 O GLY A 45 10.492 -4.769 -3.574 1.00 0.00 O ATOM 0 H GLY A 45 8.781 -7.053 -5.653 1.00 0.00 H new ATOM 0 HA2 GLY A 45 9.532 -7.845 -3.097 1.00 0.00 H new ATOM 0 HA3 GLY A 45 10.609 -7.326 -4.378 1.00 0.00 H new ATOM 610 N VAL A 46 9.891 -5.839 -1.687 1.00 0.00 N ATOM 611 CA VAL A 46 10.146 -4.693 -0.825 1.00 0.00 C ATOM 612 C VAL A 46 10.699 -5.134 0.527 1.00 0.00 C ATOM 613 O VAL A 46 10.853 -6.329 0.785 1.00 0.00 O ATOM 614 CB VAL A 46 8.871 -3.859 -0.600 1.00 0.00 C ATOM 615 CG1 VAL A 46 8.422 -3.212 -1.902 1.00 0.00 C ATOM 616 CG2 VAL A 46 7.760 -4.727 -0.029 1.00 0.00 C ATOM 0 H VAL A 46 9.567 -6.672 -1.196 1.00 0.00 H new ATOM 0 HA VAL A 46 10.886 -4.076 -1.334 1.00 0.00 H new ATOM 0 HB VAL A 46 9.098 -3.071 0.118 1.00 0.00 H new ATOM 0 HG11 VAL A 46 7.520 -2.626 -1.725 1.00 0.00 H new ATOM 0 HG12 VAL A 46 9.211 -2.559 -2.275 1.00 0.00 H new ATOM 0 HG13 VAL A 46 8.213 -3.986 -2.640 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.867 -4.121 0.124 1.00 0.00 H new ATOM 0 HG22 VAL A 46 7.536 -5.535 -0.725 1.00 0.00 H new ATOM 0 HG23 VAL A 46 8.080 -5.147 0.924 1.00 0.00 H new ATOM 626 N SER A 47 10.996 -4.164 1.384 1.00 0.00 N ATOM 627 CA SER A 47 11.469 -4.455 2.733 1.00 0.00 C ATOM 628 C SER A 47 10.470 -5.329 3.484 1.00 0.00 C ATOM 629 O SER A 47 9.369 -5.589 2.999 1.00 0.00 O ATOM 630 CB SER A 47 11.719 -3.165 3.490 1.00 0.00 C ATOM 631 OG SER A 47 10.537 -2.443 3.706 1.00 0.00 O ATOM 0 H SER A 47 10.918 -3.170 1.169 1.00 0.00 H new ATOM 0 HA SER A 47 12.407 -5.005 2.656 1.00 0.00 H new ATOM 0 HB2 SER A 47 12.185 -3.392 4.449 1.00 0.00 H new ATOM 0 HB3 SER A 47 12.423 -2.548 2.932 1.00 0.00 H new ATOM 0 HG SER A 47 10.670 -1.810 4.442 1.00 0.00 H new ATOM 637 N ASP A 48 10.863 -5.780 4.670 1.00 0.00 N ATOM 638 CA ASP A 48 10.080 -6.759 5.414 1.00 0.00 C ATOM 639 C ASP A 48 8.589 -6.452 5.311 1.00 0.00 C ATOM 640 O ASP A 48 8.178 -5.292 5.357 1.00 0.00 O ATOM 641 CB ASP A 48 10.513 -6.793 6.882 1.00 0.00 C ATOM 642 CG ASP A 48 9.906 -7.932 7.690 1.00 0.00 C ATOM 643 OD1 ASP A 48 8.717 -7.916 7.902 1.00 0.00 O ATOM 644 OD2 ASP A 48 10.603 -8.882 7.954 1.00 0.00 O ATOM 0 H ASP A 48 11.720 -5.483 5.137 1.00 0.00 H new ATOM 0 HA ASP A 48 10.261 -7.740 4.975 1.00 0.00 H new ATOM 0 HB2 ASP A 48 11.599 -6.871 6.926 1.00 0.00 H new ATOM 0 HB3 ASP A 48 10.242 -5.847 7.350 1.00 0.00 H new ATOM 649 N ALA A 49 7.782 -7.498 5.173 1.00 0.00 N ATOM 650 CA ALA A 49 6.347 -7.336 4.973 1.00 0.00 C ATOM 651 C ALA A 49 5.736 -6.465 6.065 1.00 0.00 C ATOM 652 O ALA A 49 4.802 -5.704 5.816 1.00 0.00 O ATOM 653 CB ALA A 49 5.662 -8.695 4.935 1.00 0.00 C ATOM 0 H ALA A 49 8.098 -8.468 5.196 1.00 0.00 H new ATOM 0 HA ALA A 49 6.193 -6.837 4.016 1.00 0.00 H new ATOM 0 HB1 ALA A 49 4.591 -8.559 4.785 1.00 0.00 H new ATOM 0 HB2 ALA A 49 6.071 -9.286 4.115 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.833 -9.215 5.877 1.00 0.00 H new ATOM 659 N ALA A 50 6.270 -6.582 7.277 1.00 0.00 N ATOM 660 CA ALA A 50 5.827 -5.752 8.389 1.00 0.00 C ATOM 661 C ALA A 50 6.149 -4.283 8.140 1.00 0.00 C ATOM 662 O ALA A 50 5.340 -3.401 8.431 1.00 0.00 O ATOM 663 CB ALA A 50 6.469 -6.221 9.686 1.00 0.00 C ATOM 0 H ALA A 50 7.010 -7.244 7.513 1.00 0.00 H new ATOM 0 HA ALA A 50 4.745 -5.851 8.475 1.00 0.00 H new ATOM 0 HB1 ALA A 50 6.129 -5.592 10.509 1.00 0.00 H new ATOM 0 HB2 ALA A 50 6.185 -7.256 9.879 1.00 0.00 H new ATOM 0 HB3 ALA A 50 7.553 -6.152 9.601 1.00 0.00 H new ATOM 669 N HIS A 51 7.336 -4.024 7.599 1.00 0.00 N ATOM 670 CA HIS A 51 7.817 -2.658 7.425 1.00 0.00 C ATOM 671 C HIS A 51 7.021 -1.937 6.343 1.00 0.00 C ATOM 672 O HIS A 51 6.652 -0.773 6.503 1.00 0.00 O ATOM 673 CB HIS A 51 9.309 -2.648 7.076 1.00 0.00 C ATOM 674 CG HIS A 51 9.907 -1.276 7.033 1.00 0.00 C ATOM 675 ND1 HIS A 51 10.216 -0.636 5.851 1.00 0.00 N ATOM 676 CD2 HIS A 51 10.254 -0.424 8.025 1.00 0.00 C ATOM 677 CE1 HIS A 51 10.726 0.554 6.119 1.00 0.00 C ATOM 678 NE2 HIS A 51 10.761 0.706 7.430 1.00 0.00 N ATOM 0 H HIS A 51 7.982 -4.743 7.274 1.00 0.00 H new ATOM 0 HA HIS A 51 7.677 -2.131 8.369 1.00 0.00 H new ATOM 0 HB2 HIS A 51 9.849 -3.247 7.809 1.00 0.00 H new ATOM 0 HB3 HIS A 51 9.450 -3.127 6.107 1.00 0.00 H new ATOM 0 HD2 HIS A 51 10.152 -0.599 9.086 1.00 0.00 H new ATOM 0 HE1 HIS A 51 11.057 1.278 5.390 1.00 0.00 H new ATOM 0 HE2 HIS A 51 11.108 1.529 7.922 1.00 0.00 H new ATOM 685 N ILE A 52 6.762 -2.633 5.242 1.00 0.00 N ATOM 686 CA ILE A 52 5.975 -2.071 4.150 1.00 0.00 C ATOM 687 C ILE A 52 4.520 -1.876 4.566 1.00 0.00 C ATOM 688 O ILE A 52 3.842 -0.973 4.079 1.00 0.00 O ATOM 689 CB ILE A 52 6.028 -2.965 2.898 1.00 0.00 C ATOM 690 CG1 ILE A 52 5.389 -2.251 1.705 1.00 0.00 C ATOM 691 CG2 ILE A 52 5.335 -4.293 3.162 1.00 0.00 C ATOM 692 CD1 ILE A 52 6.127 -1.006 1.270 1.00 0.00 C ATOM 0 H ILE A 52 7.085 -3.587 5.082 1.00 0.00 H new ATOM 0 HA ILE A 52 6.414 -1.102 3.910 1.00 0.00 H new ATOM 0 HB ILE A 52 7.073 -3.166 2.660 1.00 0.00 H new ATOM 0 HG12 ILE A 52 5.337 -2.943 0.865 1.00 0.00 H new ATOM 0 HG13 ILE A 52 4.364 -1.983 1.961 1.00 0.00 H new ATOM 0 HG21 ILE A 52 5.382 -4.912 2.266 1.00 0.00 H new ATOM 0 HG22 ILE A 52 5.833 -4.806 3.985 1.00 0.00 H new ATOM 0 HG23 ILE A 52 4.292 -4.113 3.425 1.00 0.00 H new ATOM 0 HD11 ILE A 52 5.613 -0.557 0.420 1.00 0.00 H new ATOM 0 HD12 ILE A 52 6.156 -0.294 2.094 1.00 0.00 H new ATOM 0 HD13 ILE A 52 7.145 -1.269 0.981 1.00 0.00 H new ATOM 704 N ALA A 53 4.050 -2.730 5.468 1.00 0.00 N ATOM 705 CA ALA A 53 2.725 -2.568 6.054 1.00 0.00 C ATOM 706 C ALA A 53 2.644 -1.293 6.887 1.00 0.00 C ATOM 707 O ALA A 53 1.635 -0.589 6.864 1.00 0.00 O ATOM 708 CB ALA A 53 2.372 -3.779 6.905 1.00 0.00 C ATOM 0 H ALA A 53 4.566 -3.541 5.809 1.00 0.00 H new ATOM 0 HA ALA A 53 2.004 -2.486 5.241 1.00 0.00 H new ATOM 0 HB1 ALA A 53 1.380 -3.644 7.336 1.00 0.00 H new ATOM 0 HB2 ALA A 53 2.379 -4.675 6.284 1.00 0.00 H new ATOM 0 HB3 ALA A 53 3.104 -3.887 7.705 1.00 0.00 H new ATOM 714 N GLU A 54 3.714 -1.003 7.622 1.00 0.00 N ATOM 715 CA GLU A 54 3.811 0.247 8.368 1.00 0.00 C ATOM 716 C GLU A 54 3.853 1.443 7.422 1.00 0.00 C ATOM 717 O GLU A 54 3.295 2.501 7.716 1.00 0.00 O ATOM 718 CB GLU A 54 5.048 0.241 9.268 1.00 0.00 C ATOM 719 CG GLU A 54 4.953 -0.702 10.460 1.00 0.00 C ATOM 720 CD GLU A 54 6.248 -0.749 11.223 1.00 0.00 C ATOM 721 OE1 GLU A 54 7.191 -0.129 10.794 1.00 0.00 O ATOM 722 OE2 GLU A 54 6.264 -1.310 12.293 1.00 0.00 O ATOM 0 H GLU A 54 4.524 -1.615 7.717 1.00 0.00 H new ATOM 0 HA GLU A 54 2.923 0.335 8.994 1.00 0.00 H new ATOM 0 HB2 GLU A 54 5.916 -0.035 8.670 1.00 0.00 H new ATOM 0 HB3 GLU A 54 5.222 1.253 9.634 1.00 0.00 H new ATOM 0 HG2 GLU A 54 4.150 -0.376 11.121 1.00 0.00 H new ATOM 0 HG3 GLU A 54 4.695 -1.703 10.115 1.00 0.00 H new ATOM 729 N ILE A 55 4.520 1.269 6.285 1.00 0.00 N ATOM 730 CA ILE A 55 4.567 2.304 5.261 1.00 0.00 C ATOM 731 C ILE A 55 3.182 2.560 4.674 1.00 0.00 C ATOM 732 O ILE A 55 2.809 3.705 4.417 1.00 0.00 O ATOM 733 CB ILE A 55 5.535 1.929 4.124 1.00 0.00 C ATOM 734 CG1 ILE A 55 6.982 1.968 4.621 1.00 0.00 C ATOM 735 CG2 ILE A 55 5.351 2.864 2.938 1.00 0.00 C ATOM 736 CD1 ILE A 55 7.975 1.356 3.659 1.00 0.00 C ATOM 0 H ILE A 55 5.035 0.420 6.051 1.00 0.00 H new ATOM 0 HA ILE A 55 4.926 3.212 5.746 1.00 0.00 H new ATOM 0 HB ILE A 55 5.310 0.914 3.798 1.00 0.00 H new ATOM 0 HG12 ILE A 55 7.264 3.004 4.809 1.00 0.00 H new ATOM 0 HG13 ILE A 55 7.043 1.443 5.574 1.00 0.00 H new ATOM 0 HG21 ILE A 55 6.043 2.585 2.144 1.00 0.00 H new ATOM 0 HG22 ILE A 55 4.327 2.789 2.571 1.00 0.00 H new ATOM 0 HG23 ILE A 55 5.550 3.890 3.249 1.00 0.00 H new ATOM 0 HD11 ILE A 55 8.978 1.421 4.081 1.00 0.00 H new ATOM 0 HD12 ILE A 55 7.720 0.310 3.489 1.00 0.00 H new ATOM 0 HD13 ILE A 55 7.944 1.895 2.712 1.00 0.00 H new ATOM 748 N ILE A 56 2.425 1.487 4.469 1.00 0.00 N ATOM 749 CA ILE A 56 1.057 1.602 3.983 1.00 0.00 C ATOM 750 C ILE A 56 0.179 2.353 4.977 1.00 0.00 C ATOM 751 O ILE A 56 -0.600 3.228 4.599 1.00 0.00 O ATOM 752 CB ILE A 56 0.438 0.220 3.707 1.00 0.00 C ATOM 753 CG1 ILE A 56 1.107 -0.434 2.495 1.00 0.00 C ATOM 754 CG2 ILE A 56 -1.062 0.342 3.489 1.00 0.00 C ATOM 755 CD1 ILE A 56 0.765 -1.896 2.323 1.00 0.00 C ATOM 0 H ILE A 56 2.736 0.529 4.632 1.00 0.00 H new ATOM 0 HA ILE A 56 1.102 2.162 3.049 1.00 0.00 H new ATOM 0 HB ILE A 56 0.608 -0.414 4.577 1.00 0.00 H new ATOM 0 HG12 ILE A 56 0.814 0.106 1.595 1.00 0.00 H new ATOM 0 HG13 ILE A 56 2.188 -0.332 2.590 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -1.483 -0.645 3.295 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.526 0.766 4.380 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -1.254 0.992 2.636 1.00 0.00 H new ATOM 0 HD11 ILE A 56 1.276 -2.288 1.444 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.084 -2.450 3.206 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.312 -2.005 2.195 1.00 0.00 H new ATOM 767 N THR A 57 0.312 2.007 6.254 1.00 0.00 N ATOM 768 CA THR A 57 -0.449 2.666 7.308 1.00 0.00 C ATOM 769 C THR A 57 0.049 4.090 7.536 1.00 0.00 C ATOM 770 O THR A 57 -0.695 4.948 8.010 1.00 0.00 O ATOM 771 CB THR A 57 -0.368 1.886 8.635 1.00 0.00 C ATOM 772 OG1 THR A 57 1.000 1.770 9.042 1.00 0.00 O ATOM 773 CG2 THR A 57 -0.966 0.497 8.472 1.00 0.00 C ATOM 0 H THR A 57 0.940 1.274 6.583 1.00 0.00 H new ATOM 0 HA THR A 57 -1.487 2.695 6.977 1.00 0.00 H new ATOM 0 HB THR A 57 -0.933 2.427 9.394 1.00 0.00 H new ATOM 0 HG1 THR A 57 1.583 2.109 8.331 1.00 0.00 H new ATOM 0 HG21 THR A 57 -0.901 -0.040 9.418 1.00 0.00 H new ATOM 0 HG22 THR A 57 -2.011 0.583 8.175 1.00 0.00 H new ATOM 0 HG23 THR A 57 -0.415 -0.049 7.706 1.00 0.00 H new ATOM 781 N ALA A 58 1.309 4.333 7.194 1.00 0.00 N ATOM 782 CA ALA A 58 1.890 5.664 7.313 1.00 0.00 C ATOM 783 C ALA A 58 1.207 6.647 6.366 1.00 0.00 C ATOM 784 O ALA A 58 1.305 7.861 6.539 1.00 0.00 O ATOM 785 CB ALA A 58 3.386 5.616 7.038 1.00 0.00 C ATOM 0 H ALA A 58 1.948 3.625 6.832 1.00 0.00 H new ATOM 0 HA ALA A 58 1.732 6.012 8.334 1.00 0.00 H new ATOM 0 HB1 ALA A 58 3.805 6.618 7.131 1.00 0.00 H new ATOM 0 HB2 ALA A 58 3.867 4.953 7.757 1.00 0.00 H new ATOM 0 HB3 ALA A 58 3.559 5.242 6.029 1.00 0.00 H new ATOM 791 N ALA A 59 0.517 6.112 5.364 1.00 0.00 N ATOM 792 CA ALA A 59 -0.203 6.940 4.404 1.00 0.00 C ATOM 793 C ALA A 59 -1.521 7.437 4.988 1.00 0.00 C ATOM 794 O ALA A 59 -2.241 8.208 4.354 1.00 0.00 O ATOM 795 CB ALA A 59 -0.451 6.164 3.120 1.00 0.00 C ATOM 0 H ALA A 59 0.441 5.109 5.196 1.00 0.00 H new ATOM 0 HA ALA A 59 0.414 7.809 4.176 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.989 6.794 2.412 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.503 5.864 2.686 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -1.045 5.277 3.340 1.00 0.00 H new ATOM 801 N GLY A 60 -1.831 6.990 6.201 1.00 0.00 N ATOM 802 CA GLY A 60 -3.058 7.410 6.856 1.00 0.00 C ATOM 803 C GLY A 60 -4.206 6.455 6.602 1.00 0.00 C ATOM 804 O GLY A 60 -5.337 6.709 7.018 1.00 0.00 O ATOM 0 H GLY A 60 -1.255 6.345 6.742 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -2.885 7.488 7.929 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -3.332 8.405 6.504 1.00 0.00 H new ATOM 808 N TYR A 61 -3.918 5.354 5.917 1.00 0.00 N ATOM 809 CA TYR A 61 -4.925 4.333 5.650 1.00 0.00 C ATOM 810 C TYR A 61 -4.528 3.000 6.273 1.00 0.00 C ATOM 811 O TYR A 61 -3.508 2.410 5.913 1.00 0.00 O ATOM 812 CB TYR A 61 -5.136 4.169 4.142 1.00 0.00 C ATOM 813 CG TYR A 61 -5.607 5.428 3.449 1.00 0.00 C ATOM 814 CD1 TYR A 61 -6.960 5.707 3.322 1.00 0.00 C ATOM 815 CD2 TYR A 61 -4.698 6.332 2.920 1.00 0.00 C ATOM 816 CE1 TYR A 61 -7.395 6.855 2.689 1.00 0.00 C ATOM 817 CE2 TYR A 61 -5.122 7.485 2.285 1.00 0.00 C ATOM 818 CZ TYR A 61 -6.472 7.741 2.172 1.00 0.00 C ATOM 819 OH TYR A 61 -6.902 8.886 1.540 1.00 0.00 O ATOM 0 H TYR A 61 -2.995 5.145 5.536 1.00 0.00 H new ATOM 0 HA TYR A 61 -5.862 4.658 6.103 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -4.200 3.844 3.687 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -5.865 3.377 3.971 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -7.685 5.015 3.725 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -3.640 6.132 3.005 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -8.452 7.058 2.599 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -4.401 8.180 1.881 1.00 0.00 H new ATOM 0 HH TYR A 61 -7.687 8.681 0.990 1.00 0.00 H new ATOM 829 N THR A 62 -5.341 2.528 7.213 1.00 0.00 N ATOM 830 CA THR A 62 -5.017 1.326 7.971 1.00 0.00 C ATOM 831 C THR A 62 -6.274 0.529 8.300 1.00 0.00 C ATOM 832 O THR A 62 -7.334 1.086 8.588 1.00 0.00 O ATOM 833 CB THR A 62 -4.278 1.665 9.279 1.00 0.00 C ATOM 834 OG1 THR A 62 -3.986 0.457 9.993 1.00 0.00 O ATOM 835 CG2 THR A 62 -5.130 2.573 10.154 1.00 0.00 C ATOM 0 H THR A 62 -6.229 2.960 7.468 1.00 0.00 H new ATOM 0 HA THR A 62 -4.362 0.723 7.342 1.00 0.00 H new ATOM 0 HB THR A 62 -3.351 2.182 9.031 1.00 0.00 H new ATOM 0 HG1 THR A 62 -3.514 0.674 10.824 1.00 0.00 H new ATOM 0 HG21 THR A 62 -4.592 2.802 11.074 1.00 0.00 H new ATOM 0 HG22 THR A 62 -5.344 3.498 9.619 1.00 0.00 H new ATOM 0 HG23 THR A 62 -6.066 2.070 10.397 1.00 0.00 H new