USER MOD reduce.3.24.130724 H: found=0, std=0, add=500, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 499 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 30 TYR OH : rot 141:sc= -0.115 USER MOD Set 1.2: A 36 THR OG1 : rot -50:sc= 1.32 USER MOD Single : A 1 SER N :NH3+ -152:sc= 0.367 (180deg=0.105) USER MOD Single : A 1 SER OG : rot 52:sc= 0.21 USER MOD Single : A 5 SER OG : rot 65:sc= 1.19 USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 78:sc= 0.996 USER MOD Single : A 21 TYR OH : rot 135:sc= -4.13! USER MOD Single : A 24 GLN : amide:sc= -0.327 X(o=-0.33,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 146:sc= -5.17! USER MOD Single : A 35 SER OG : rot 120:sc= -1.53 USER MOD Single : A 38 LYS NZ :NH3+ -153:sc= -0.277 (180deg=-0.775) USER MOD Single : A 41 GLN : amide:sc= -0.0529 K(o=-0.053,f=-3.4!) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 HIS : no HE2:sc= -10.2! C(o=-10!,f=-7.1!) USER MOD Single : A 48 THR OG1 : rot 91:sc= 0.153 USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 LYS NZ :NH3+ -113:sc= 1.1 (180deg=-1.17) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 TYR OH : rot 150:sc= -0.0481 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 15.896 3.193 -1.661 1.00 0.00 N ATOM 2 CA SER A 1 14.451 3.372 -1.985 1.00 0.00 C ATOM 3 C SER A 1 13.599 3.195 -0.726 1.00 0.00 C ATOM 4 O SER A 1 13.186 2.100 -0.394 1.00 0.00 O ATOM 5 CB SER A 1 14.134 2.279 -3.005 1.00 0.00 C ATOM 6 OG SER A 1 14.795 1.078 -2.630 1.00 0.00 O ATOM 0 H1 SER A 1 16.472 3.747 -2.326 1.00 0.00 H new ATOM 0 H2 SER A 1 16.077 3.520 -0.691 1.00 0.00 H new ATOM 0 H3 SER A 1 16.147 2.187 -1.740 1.00 0.00 H new ATOM 0 HA SER A 1 14.237 4.367 -2.375 1.00 0.00 H new ATOM 0 HB2 SER A 1 13.058 2.114 -3.055 1.00 0.00 H new ATOM 0 HB3 SER A 1 14.456 2.589 -3.999 1.00 0.00 H new ATOM 0 HG SER A 1 14.581 0.864 -1.698 1.00 0.00 H new ATOM 14 N ALA A 2 13.332 4.266 -0.023 1.00 0.00 N ATOM 15 CA ALA A 2 12.503 4.172 1.217 1.00 0.00 C ATOM 16 C ALA A 2 13.125 3.178 2.205 1.00 0.00 C ATOM 17 O ALA A 2 14.054 2.464 1.881 1.00 0.00 O ATOM 18 CB ALA A 2 11.132 3.677 0.748 1.00 0.00 C ATOM 0 H ALA A 2 13.654 5.206 -0.255 1.00 0.00 H new ATOM 0 HA ALA A 2 12.435 5.129 1.735 1.00 0.00 H new ATOM 0 HB1 ALA A 2 10.466 3.583 1.606 1.00 0.00 H new ATOM 0 HB2 ALA A 2 10.711 4.389 0.038 1.00 0.00 H new ATOM 0 HB3 ALA A 2 11.241 2.706 0.265 1.00 0.00 H new ATOM 24 N VAL A 3 12.616 3.130 3.406 1.00 0.00 N ATOM 25 CA VAL A 3 13.173 2.183 4.419 1.00 0.00 C ATOM 26 C VAL A 3 12.224 0.992 4.600 1.00 0.00 C ATOM 27 O VAL A 3 11.965 0.556 5.705 1.00 0.00 O ATOM 28 CB VAL A 3 13.282 2.992 5.717 1.00 0.00 C ATOM 29 CG1 VAL A 3 14.123 4.248 5.471 1.00 0.00 C ATOM 30 CG2 VAL A 3 11.884 3.401 6.198 1.00 0.00 C ATOM 0 H VAL A 3 11.839 3.705 3.731 1.00 0.00 H new ATOM 0 HA VAL A 3 14.140 1.779 4.118 1.00 0.00 H new ATOM 0 HB VAL A 3 13.759 2.377 6.480 1.00 0.00 H new ATOM 0 HG11 VAL A 3 14.199 4.822 6.395 1.00 0.00 H new ATOM 0 HG12 VAL A 3 15.120 3.959 5.140 1.00 0.00 H new ATOM 0 HG13 VAL A 3 13.649 4.859 4.703 1.00 0.00 H new ATOM 0 HG21 VAL A 3 11.970 3.975 7.120 1.00 0.00 H new ATOM 0 HG22 VAL A 3 11.401 4.011 5.435 1.00 0.00 H new ATOM 0 HG23 VAL A 3 11.286 2.508 6.381 1.00 0.00 H new ATOM 40 N ILE A 4 11.702 0.471 3.523 1.00 0.00 N ATOM 41 CA ILE A 4 10.765 -0.686 3.626 1.00 0.00 C ATOM 42 C ILE A 4 11.063 -1.729 2.539 1.00 0.00 C ATOM 43 O ILE A 4 12.047 -1.634 1.833 1.00 0.00 O ATOM 44 CB ILE A 4 9.364 -0.108 3.427 1.00 0.00 C ATOM 45 CG1 ILE A 4 9.346 0.853 2.226 1.00 0.00 C ATOM 46 CG2 ILE A 4 8.916 0.641 4.694 1.00 0.00 C ATOM 47 CD1 ILE A 4 9.513 0.067 0.920 1.00 0.00 C ATOM 0 H ILE A 4 11.884 0.797 2.574 1.00 0.00 H new ATOM 0 HA ILE A 4 10.865 -1.189 4.588 1.00 0.00 H new ATOM 0 HB ILE A 4 8.676 -0.931 3.233 1.00 0.00 H new ATOM 0 HG12 ILE A 4 8.408 1.408 2.208 1.00 0.00 H new ATOM 0 HG13 ILE A 4 10.148 1.585 2.324 1.00 0.00 H new ATOM 0 HG21 ILE A 4 7.917 1.049 4.541 1.00 0.00 H new ATOM 0 HG22 ILE A 4 8.902 -0.048 5.538 1.00 0.00 H new ATOM 0 HG23 ILE A 4 9.612 1.454 4.901 1.00 0.00 H new ATOM 0 HD11 ILE A 4 9.499 0.757 0.076 1.00 0.00 H new ATOM 0 HD12 ILE A 4 10.463 -0.468 0.936 1.00 0.00 H new ATOM 0 HD13 ILE A 4 8.696 -0.648 0.818 1.00 0.00 H new ATOM 59 N SER A 5 10.218 -2.729 2.405 1.00 0.00 N ATOM 60 CA SER A 5 10.445 -3.785 1.364 1.00 0.00 C ATOM 61 C SER A 5 9.332 -4.842 1.405 1.00 0.00 C ATOM 62 O SER A 5 9.580 -6.001 1.671 1.00 0.00 O ATOM 63 CB SER A 5 11.791 -4.426 1.716 1.00 0.00 C ATOM 64 OG SER A 5 11.625 -5.284 2.837 1.00 0.00 O ATOM 0 H SER A 5 9.381 -2.858 2.973 1.00 0.00 H new ATOM 0 HA SER A 5 10.442 -3.360 0.360 1.00 0.00 H new ATOM 0 HB2 SER A 5 12.171 -4.991 0.865 1.00 0.00 H new ATOM 0 HB3 SER A 5 12.527 -3.654 1.941 1.00 0.00 H new ATOM 0 HG SER A 5 11.039 -6.031 2.593 1.00 0.00 H new ATOM 70 N LEU A 6 8.112 -4.455 1.123 1.00 0.00 N ATOM 71 CA LEU A 6 6.969 -5.433 1.129 1.00 0.00 C ATOM 72 C LEU A 6 6.820 -6.091 2.506 1.00 0.00 C ATOM 73 O LEU A 6 5.935 -5.751 3.269 1.00 0.00 O ATOM 74 CB LEU A 6 7.308 -6.470 0.052 1.00 0.00 C ATOM 75 CG LEU A 6 6.658 -6.074 -1.282 1.00 0.00 C ATOM 76 CD1 LEU A 6 5.172 -6.442 -1.270 1.00 0.00 C ATOM 77 CD2 LEU A 6 6.798 -4.566 -1.506 1.00 0.00 C ATOM 0 H LEU A 6 7.853 -3.497 0.887 1.00 0.00 H new ATOM 0 HA LEU A 6 6.018 -4.943 0.923 1.00 0.00 H new ATOM 0 HB2 LEU A 6 8.389 -6.542 -0.068 1.00 0.00 H new ATOM 0 HB3 LEU A 6 6.955 -7.454 0.360 1.00 0.00 H new ATOM 0 HG LEU A 6 7.161 -6.611 -2.087 1.00 0.00 H new ATOM 0 HD11 LEU A 6 4.719 -6.158 -2.220 1.00 0.00 H new ATOM 0 HD12 LEU A 6 5.065 -7.517 -1.124 1.00 0.00 H new ATOM 0 HD13 LEU A 6 4.673 -5.914 -0.458 1.00 0.00 H new ATOM 0 HD21 LEU A 6 6.334 -4.294 -2.454 1.00 0.00 H new ATOM 0 HD22 LEU A 6 6.305 -4.030 -0.695 1.00 0.00 H new ATOM 0 HD23 LEU A 6 7.854 -4.298 -1.529 1.00 0.00 H new ATOM 89 N ASP A 7 7.668 -7.026 2.836 1.00 0.00 N ATOM 90 CA ASP A 7 7.560 -7.694 4.168 1.00 0.00 C ATOM 91 C ASP A 7 7.815 -6.684 5.290 1.00 0.00 C ATOM 92 O ASP A 7 7.479 -6.918 6.434 1.00 0.00 O ATOM 93 CB ASP A 7 8.643 -8.776 4.166 1.00 0.00 C ATOM 94 CG ASP A 7 8.533 -9.621 5.441 1.00 0.00 C ATOM 95 OD1 ASP A 7 7.579 -9.431 6.178 1.00 0.00 O ATOM 96 OD2 ASP A 7 9.407 -10.444 5.658 1.00 0.00 O ATOM 0 H ASP A 7 8.430 -7.357 2.244 1.00 0.00 H new ATOM 0 HA ASP A 7 6.568 -8.113 4.336 1.00 0.00 H new ATOM 0 HB2 ASP A 7 8.534 -9.411 3.287 1.00 0.00 H new ATOM 0 HB3 ASP A 7 9.630 -8.316 4.107 1.00 0.00 H new ATOM 101 N GLU A 8 8.408 -5.562 4.974 1.00 0.00 N ATOM 102 CA GLU A 8 8.687 -4.543 6.026 1.00 0.00 C ATOM 103 C GLU A 8 7.709 -3.369 5.911 1.00 0.00 C ATOM 104 O GLU A 8 8.000 -2.270 6.338 1.00 0.00 O ATOM 105 CB GLU A 8 10.117 -4.075 5.749 1.00 0.00 C ATOM 106 CG GLU A 8 10.786 -3.661 7.063 1.00 0.00 C ATOM 107 CD GLU A 8 11.846 -4.695 7.445 1.00 0.00 C ATOM 108 OE1 GLU A 8 12.917 -4.660 6.861 1.00 0.00 O ATOM 109 OE2 GLU A 8 11.569 -5.505 8.315 1.00 0.00 O ATOM 0 H GLU A 8 8.710 -5.309 4.033 1.00 0.00 H new ATOM 0 HA GLU A 8 8.573 -4.949 7.031 1.00 0.00 H new ATOM 0 HB2 GLU A 8 10.687 -4.875 5.275 1.00 0.00 H new ATOM 0 HB3 GLU A 8 10.107 -3.235 5.054 1.00 0.00 H new ATOM 0 HG2 GLU A 8 11.244 -2.678 6.956 1.00 0.00 H new ATOM 0 HG3 GLU A 8 10.040 -3.581 7.854 1.00 0.00 H new ATOM 116 N PHE A 9 6.552 -3.589 5.341 1.00 0.00 N ATOM 117 CA PHE A 9 5.566 -2.474 5.209 1.00 0.00 C ATOM 118 C PHE A 9 4.510 -2.545 6.310 1.00 0.00 C ATOM 119 O PHE A 9 3.538 -1.815 6.291 1.00 0.00 O ATOM 120 CB PHE A 9 4.913 -2.656 3.842 1.00 0.00 C ATOM 121 CG PHE A 9 5.515 -1.676 2.870 1.00 0.00 C ATOM 122 CD1 PHE A 9 5.484 -0.310 3.153 1.00 0.00 C ATOM 123 CD2 PHE A 9 6.105 -2.131 1.694 1.00 0.00 C ATOM 124 CE1 PHE A 9 6.041 0.597 2.258 1.00 0.00 C ATOM 125 CE2 PHE A 9 6.661 -1.225 0.796 1.00 0.00 C ATOM 126 CZ PHE A 9 6.630 0.139 1.078 1.00 0.00 C ATOM 0 H PHE A 9 6.248 -4.487 4.963 1.00 0.00 H new ATOM 0 HA PHE A 9 6.055 -1.504 5.301 1.00 0.00 H new ATOM 0 HB2 PHE A 9 5.062 -3.676 3.488 1.00 0.00 H new ATOM 0 HB3 PHE A 9 3.837 -2.498 3.916 1.00 0.00 H new ATOM 0 HD1 PHE A 9 5.028 0.043 4.066 1.00 0.00 H new ATOM 0 HD2 PHE A 9 6.131 -3.189 1.478 1.00 0.00 H new ATOM 0 HE1 PHE A 9 6.018 1.655 2.476 1.00 0.00 H new ATOM 0 HE2 PHE A 9 7.116 -1.578 -0.118 1.00 0.00 H new ATOM 0 HZ PHE A 9 7.062 0.843 0.383 1.00 0.00 H new ATOM 136 N GLU A 10 4.695 -3.398 7.278 1.00 0.00 N ATOM 137 CA GLU A 10 3.701 -3.484 8.387 1.00 0.00 C ATOM 138 C GLU A 10 4.094 -2.506 9.496 1.00 0.00 C ATOM 139 O GLU A 10 3.539 -2.519 10.578 1.00 0.00 O ATOM 140 CB GLU A 10 3.766 -4.932 8.890 1.00 0.00 C ATOM 141 CG GLU A 10 5.208 -5.298 9.264 1.00 0.00 C ATOM 142 CD GLU A 10 5.224 -5.960 10.644 1.00 0.00 C ATOM 143 OE1 GLU A 10 4.306 -6.713 10.927 1.00 0.00 O ATOM 144 OE2 GLU A 10 6.150 -5.701 11.394 1.00 0.00 O ATOM 0 H GLU A 10 5.487 -4.037 7.351 1.00 0.00 H new ATOM 0 HA GLU A 10 2.692 -3.226 8.064 1.00 0.00 H new ATOM 0 HB2 GLU A 10 3.116 -5.053 9.756 1.00 0.00 H new ATOM 0 HB3 GLU A 10 3.399 -5.609 8.119 1.00 0.00 H new ATOM 0 HG2 GLU A 10 5.628 -5.974 8.519 1.00 0.00 H new ATOM 0 HG3 GLU A 10 5.832 -4.404 9.270 1.00 0.00 H new ATOM 151 N ASN A 11 5.053 -1.654 9.231 1.00 0.00 N ATOM 152 CA ASN A 11 5.492 -0.671 10.257 1.00 0.00 C ATOM 153 C ASN A 11 4.725 0.647 10.111 1.00 0.00 C ATOM 154 O ASN A 11 4.326 1.242 11.094 1.00 0.00 O ATOM 155 CB ASN A 11 6.981 -0.457 9.989 1.00 0.00 C ATOM 156 CG ASN A 11 7.782 -1.590 10.634 1.00 0.00 C ATOM 157 OD1 ASN A 11 8.051 -1.563 11.818 1.00 0.00 O ATOM 158 ND2 ASN A 11 8.176 -2.594 9.899 1.00 0.00 N ATOM 0 H ASN A 11 5.550 -1.600 8.342 1.00 0.00 H new ATOM 0 HA ASN A 11 5.304 -1.029 11.269 1.00 0.00 H new ATOM 0 HB2 ASN A 11 7.168 -0.430 8.916 1.00 0.00 H new ATOM 0 HB3 ASN A 11 7.300 0.504 10.393 1.00 0.00 H new ATOM 0 HD21 ASN A 11 8.709 -3.355 10.319 1.00 0.00 H new ATOM 0 HD22 ASN A 11 7.950 -2.617 8.905 1.00 0.00 H new ATOM 165 N LYS A 12 4.517 1.122 8.904 1.00 0.00 N ATOM 166 CA LYS A 12 3.781 2.408 8.753 1.00 0.00 C ATOM 167 C LYS A 12 2.324 2.167 8.368 1.00 0.00 C ATOM 168 O LYS A 12 2.003 1.284 7.599 1.00 0.00 O ATOM 169 CB LYS A 12 4.481 3.185 7.636 1.00 0.00 C ATOM 170 CG LYS A 12 5.797 3.825 8.115 1.00 0.00 C ATOM 171 CD LYS A 12 5.699 4.313 9.565 1.00 0.00 C ATOM 172 CE LYS A 12 6.281 3.253 10.506 1.00 0.00 C ATOM 173 NZ LYS A 12 7.532 3.860 11.040 1.00 0.00 N ATOM 0 H LYS A 12 4.820 0.681 8.036 1.00 0.00 H new ATOM 0 HA LYS A 12 3.784 2.957 9.695 1.00 0.00 H new ATOM 0 HB2 LYS A 12 4.687 2.514 6.802 1.00 0.00 H new ATOM 0 HB3 LYS A 12 3.815 3.963 7.263 1.00 0.00 H new ATOM 0 HG2 LYS A 12 6.606 3.099 8.030 1.00 0.00 H new ATOM 0 HG3 LYS A 12 6.051 4.663 7.466 1.00 0.00 H new ATOM 0 HD2 LYS A 12 6.240 5.252 9.680 1.00 0.00 H new ATOM 0 HD3 LYS A 12 4.659 4.511 9.823 1.00 0.00 H new ATOM 0 HE2 LYS A 12 5.584 3.012 11.309 1.00 0.00 H new ATOM 0 HE3 LYS A 12 6.488 2.324 9.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 7.990 3.193 11.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 8.178 4.072 10.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 7.303 4.739 11.546 1.00 0.00 H new ATOM 187 N THR A 13 1.451 2.975 8.892 1.00 0.00 N ATOM 188 CA THR A 13 0.001 2.849 8.560 1.00 0.00 C ATOM 189 C THR A 13 -0.269 3.528 7.214 1.00 0.00 C ATOM 190 O THR A 13 -1.048 4.456 7.119 1.00 0.00 O ATOM 191 CB THR A 13 -0.752 3.557 9.696 1.00 0.00 C ATOM 192 OG1 THR A 13 0.167 4.270 10.517 1.00 0.00 O ATOM 193 CG2 THR A 13 -1.495 2.516 10.539 1.00 0.00 C ATOM 0 H THR A 13 1.678 3.726 9.543 1.00 0.00 H new ATOM 0 HA THR A 13 -0.319 1.811 8.473 1.00 0.00 H new ATOM 0 HB THR A 13 -1.467 4.260 9.270 1.00 0.00 H new ATOM 0 HG1 THR A 13 0.428 5.102 10.070 1.00 0.00 H new ATOM 0 HG21 THR A 13 -2.030 3.016 11.346 1.00 0.00 H new ATOM 0 HG22 THR A 13 -2.205 1.979 9.911 1.00 0.00 H new ATOM 0 HG23 THR A 13 -0.779 1.811 10.961 1.00 0.00 H new ATOM 201 N LEU A 14 0.378 3.069 6.175 1.00 0.00 N ATOM 202 CA LEU A 14 0.190 3.672 4.822 1.00 0.00 C ATOM 203 C LEU A 14 0.505 5.171 4.841 1.00 0.00 C ATOM 204 O LEU A 14 1.606 5.580 4.529 1.00 0.00 O ATOM 205 CB LEU A 14 -1.281 3.448 4.458 1.00 0.00 C ATOM 206 CG LEU A 14 -1.456 2.090 3.783 1.00 0.00 C ATOM 207 CD1 LEU A 14 -0.654 2.029 2.480 1.00 0.00 C ATOM 208 CD2 LEU A 14 -0.974 0.993 4.726 1.00 0.00 C ATOM 0 H LEU A 14 1.037 2.292 6.207 1.00 0.00 H new ATOM 0 HA LEU A 14 0.861 3.215 4.095 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.897 3.498 5.356 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.623 4.240 3.792 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.511 1.946 3.551 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.791 1.053 2.014 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.002 2.808 1.802 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.403 2.182 2.696 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.097 0.022 4.247 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.079 1.151 4.960 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.558 1.021 5.646 1.00 0.00 H new ATOM 220 N ASP A 15 -0.465 5.988 5.183 1.00 0.00 N ATOM 221 CA ASP A 15 -0.270 7.483 5.204 1.00 0.00 C ATOM 222 C ASP A 15 1.139 7.859 5.664 1.00 0.00 C ATOM 223 O ASP A 15 1.704 8.844 5.232 1.00 0.00 O ATOM 224 CB ASP A 15 -1.302 8.007 6.201 1.00 0.00 C ATOM 225 CG ASP A 15 -2.710 7.617 5.746 1.00 0.00 C ATOM 226 OD1 ASP A 15 -2.976 6.428 5.665 1.00 0.00 O ATOM 227 OD2 ASP A 15 -3.498 8.511 5.486 1.00 0.00 O ATOM 0 H ASP A 15 -1.399 5.681 5.453 1.00 0.00 H new ATOM 0 HA ASP A 15 -0.393 7.910 4.209 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -1.104 7.598 7.192 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -1.224 9.091 6.283 1.00 0.00 H new ATOM 232 N GLU A 16 1.706 7.075 6.532 1.00 0.00 N ATOM 233 CA GLU A 16 3.082 7.360 7.026 1.00 0.00 C ATOM 234 C GLU A 16 4.067 7.527 5.860 1.00 0.00 C ATOM 235 O GLU A 16 5.178 7.978 6.056 1.00 0.00 O ATOM 236 CB GLU A 16 3.441 6.132 7.860 1.00 0.00 C ATOM 237 CG GLU A 16 3.262 6.426 9.353 1.00 0.00 C ATOM 238 CD GLU A 16 1.964 7.204 9.594 1.00 0.00 C ATOM 239 OE1 GLU A 16 0.921 6.715 9.193 1.00 0.00 O ATOM 240 OE2 GLU A 16 2.038 8.275 10.175 1.00 0.00 O ATOM 0 H GLU A 16 1.273 6.240 6.926 1.00 0.00 H new ATOM 0 HA GLU A 16 3.131 8.288 7.596 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.810 5.292 7.571 1.00 0.00 H new ATOM 0 HB3 GLU A 16 4.472 5.839 7.662 1.00 0.00 H new ATOM 0 HG2 GLU A 16 3.243 5.492 9.914 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.112 7.001 9.721 1.00 0.00 H new ATOM 247 N ILE A 17 3.692 7.151 4.656 1.00 0.00 N ATOM 248 CA ILE A 17 4.659 7.283 3.520 1.00 0.00 C ATOM 249 C ILE A 17 3.973 7.257 2.134 1.00 0.00 C ATOM 250 O ILE A 17 4.641 7.140 1.136 1.00 0.00 O ATOM 251 CB ILE A 17 5.566 6.055 3.673 1.00 0.00 C ATOM 252 CG1 ILE A 17 4.737 4.870 4.189 1.00 0.00 C ATOM 253 CG2 ILE A 17 6.693 6.357 4.662 1.00 0.00 C ATOM 254 CD1 ILE A 17 5.490 3.562 3.953 1.00 0.00 C ATOM 0 H ILE A 17 2.778 6.767 4.416 1.00 0.00 H new ATOM 0 HA ILE A 17 5.184 8.237 3.560 1.00 0.00 H new ATOM 0 HB ILE A 17 5.999 5.807 2.704 1.00 0.00 H new ATOM 0 HG12 ILE A 17 4.533 4.994 5.252 1.00 0.00 H new ATOM 0 HG13 ILE A 17 3.773 4.841 3.680 1.00 0.00 H new ATOM 0 HG21 ILE A 17 7.332 5.480 4.765 1.00 0.00 H new ATOM 0 HG22 ILE A 17 7.284 7.196 4.295 1.00 0.00 H new ATOM 0 HG23 ILE A 17 6.267 6.611 5.633 1.00 0.00 H new ATOM 0 HD11 ILE A 17 4.894 2.727 4.322 1.00 0.00 H new ATOM 0 HD12 ILE A 17 5.672 3.434 2.886 1.00 0.00 H new ATOM 0 HD13 ILE A 17 6.442 3.590 4.482 1.00 0.00 H new ATOM 266 N ILE A 18 2.669 7.366 2.051 1.00 0.00 N ATOM 267 CA ILE A 18 1.992 7.318 0.696 1.00 0.00 C ATOM 268 C ILE A 18 2.177 8.646 -0.057 1.00 0.00 C ATOM 269 O ILE A 18 2.760 9.586 0.446 1.00 0.00 O ATOM 270 CB ILE A 18 0.485 7.056 0.958 1.00 0.00 C ATOM 271 CG1 ILE A 18 0.307 6.115 2.144 1.00 0.00 C ATOM 272 CG2 ILE A 18 -0.175 6.392 -0.262 1.00 0.00 C ATOM 273 CD1 ILE A 18 1.207 4.889 1.965 1.00 0.00 C ATOM 0 H ILE A 18 2.042 7.485 2.847 1.00 0.00 H new ATOM 0 HA ILE A 18 2.428 6.534 0.077 1.00 0.00 H new ATOM 0 HB ILE A 18 0.019 8.021 1.160 1.00 0.00 H new ATOM 0 HG12 ILE A 18 0.557 6.630 3.071 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -0.735 5.806 2.223 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -1.231 6.218 -0.055 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -0.078 7.046 -1.129 1.00 0.00 H new ATOM 0 HG23 ILE A 18 0.316 5.441 -0.468 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.079 4.217 2.813 1.00 0.00 H new ATOM 0 HD12 ILE A 18 0.935 4.369 1.046 1.00 0.00 H new ATOM 0 HD13 ILE A 18 2.248 5.207 1.908 1.00 0.00 H new ATOM 285 N GLY A 19 1.698 8.707 -1.275 1.00 0.00 N ATOM 286 CA GLY A 19 1.849 9.944 -2.104 1.00 0.00 C ATOM 287 C GLY A 19 2.559 9.589 -3.415 1.00 0.00 C ATOM 288 O GLY A 19 1.933 9.208 -4.385 1.00 0.00 O ATOM 0 H GLY A 19 1.203 7.943 -1.736 1.00 0.00 H new ATOM 0 HA2 GLY A 19 0.871 10.378 -2.312 1.00 0.00 H new ATOM 0 HA3 GLY A 19 2.421 10.694 -1.558 1.00 0.00 H new ATOM 292 N PHE A 20 3.861 9.705 -3.451 1.00 0.00 N ATOM 293 CA PHE A 20 4.615 9.364 -4.696 1.00 0.00 C ATOM 294 C PHE A 20 5.192 7.961 -4.572 1.00 0.00 C ATOM 295 O PHE A 20 4.852 7.077 -5.337 1.00 0.00 O ATOM 296 CB PHE A 20 5.723 10.409 -4.791 1.00 0.00 C ATOM 297 CG PHE A 20 5.888 10.798 -6.230 1.00 0.00 C ATOM 298 CD1 PHE A 20 4.996 11.703 -6.815 1.00 0.00 C ATOM 299 CD2 PHE A 20 6.920 10.239 -6.984 1.00 0.00 C ATOM 300 CE1 PHE A 20 5.141 12.050 -8.162 1.00 0.00 C ATOM 301 CE2 PHE A 20 7.069 10.587 -8.331 1.00 0.00 C ATOM 302 CZ PHE A 20 6.179 11.492 -8.921 1.00 0.00 C ATOM 0 H PHE A 20 4.437 10.022 -2.671 1.00 0.00 H new ATOM 0 HA PHE A 20 3.987 9.373 -5.587 1.00 0.00 H new ATOM 0 HB2 PHE A 20 5.473 11.282 -4.189 1.00 0.00 H new ATOM 0 HB3 PHE A 20 6.657 10.008 -4.398 1.00 0.00 H new ATOM 0 HD1 PHE A 20 4.198 12.133 -6.228 1.00 0.00 H new ATOM 0 HD2 PHE A 20 7.604 9.538 -6.528 1.00 0.00 H new ATOM 0 HE1 PHE A 20 4.454 12.748 -8.617 1.00 0.00 H new ATOM 0 HE2 PHE A 20 7.870 10.158 -8.915 1.00 0.00 H new ATOM 0 HZ PHE A 20 6.292 11.760 -9.961 1.00 0.00 H new ATOM 312 N TYR A 21 6.016 7.726 -3.584 1.00 0.00 N ATOM 313 CA TYR A 21 6.563 6.349 -3.386 1.00 0.00 C ATOM 314 C TYR A 21 5.384 5.363 -3.381 1.00 0.00 C ATOM 315 O TYR A 21 5.533 4.180 -3.583 1.00 0.00 O ATOM 316 CB TYR A 21 7.270 6.400 -2.009 1.00 0.00 C ATOM 317 CG TYR A 21 6.596 5.459 -1.029 1.00 0.00 C ATOM 318 CD1 TYR A 21 5.254 5.648 -0.685 1.00 0.00 C ATOM 319 CD2 TYR A 21 7.306 4.383 -0.487 1.00 0.00 C ATOM 320 CE1 TYR A 21 4.625 4.768 0.192 1.00 0.00 C ATOM 321 CE2 TYR A 21 6.669 3.497 0.390 1.00 0.00 C ATOM 322 CZ TYR A 21 5.325 3.693 0.724 1.00 0.00 C ATOM 323 OH TYR A 21 4.684 2.821 1.576 1.00 0.00 O ATOM 0 H TYR A 21 6.333 8.422 -2.909 1.00 0.00 H new ATOM 0 HA TYR A 21 7.256 6.029 -4.164 1.00 0.00 H new ATOM 0 HB2 TYR A 21 8.319 6.126 -2.122 1.00 0.00 H new ATOM 0 HB3 TYR A 21 7.247 7.418 -1.619 1.00 0.00 H new ATOM 0 HD1 TYR A 21 4.704 6.479 -1.101 1.00 0.00 H new ATOM 0 HD2 TYR A 21 8.344 4.236 -0.745 1.00 0.00 H new ATOM 0 HE1 TYR A 21 3.590 4.922 0.459 1.00 0.00 H new ATOM 0 HE2 TYR A 21 7.214 2.664 0.808 1.00 0.00 H new ATOM 0 HH TYR A 21 4.899 1.899 1.323 1.00 0.00 H new ATOM 333 N GLU A 22 4.206 5.866 -3.122 1.00 0.00 N ATOM 334 CA GLU A 22 3.009 5.000 -3.069 1.00 0.00 C ATOM 335 C GLU A 22 2.766 4.326 -4.415 1.00 0.00 C ATOM 336 O GLU A 22 2.649 3.128 -4.493 1.00 0.00 O ATOM 337 CB GLU A 22 1.873 5.955 -2.709 1.00 0.00 C ATOM 338 CG GLU A 22 0.544 5.450 -3.268 1.00 0.00 C ATOM 339 CD GLU A 22 0.278 6.105 -4.626 1.00 0.00 C ATOM 340 OE1 GLU A 22 0.433 7.311 -4.722 1.00 0.00 O ATOM 341 OE2 GLU A 22 -0.076 5.387 -5.548 1.00 0.00 O ATOM 0 H GLU A 22 4.028 6.854 -2.944 1.00 0.00 H new ATOM 0 HA GLU A 22 3.108 4.188 -2.348 1.00 0.00 H new ATOM 0 HB2 GLU A 22 1.804 6.053 -1.626 1.00 0.00 H new ATOM 0 HB3 GLU A 22 2.086 6.948 -3.106 1.00 0.00 H new ATOM 0 HG2 GLU A 22 0.571 4.366 -3.375 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -0.265 5.682 -2.576 1.00 0.00 H new ATOM 348 N ALA A 23 2.678 5.078 -5.473 1.00 0.00 N ATOM 349 CA ALA A 23 2.421 4.458 -6.804 1.00 0.00 C ATOM 350 C ALA A 23 3.152 3.114 -6.920 1.00 0.00 C ATOM 351 O ALA A 23 2.617 2.147 -7.434 1.00 0.00 O ATOM 352 CB ALA A 23 2.966 5.468 -7.815 1.00 0.00 C ATOM 0 H ALA A 23 2.772 6.094 -5.476 1.00 0.00 H new ATOM 0 HA ALA A 23 1.364 4.247 -6.968 1.00 0.00 H new ATOM 0 HB1 ALA A 23 2.816 5.088 -8.826 1.00 0.00 H new ATOM 0 HB2 ALA A 23 2.440 6.416 -7.702 1.00 0.00 H new ATOM 0 HB3 ALA A 23 4.031 5.621 -7.639 1.00 0.00 H new ATOM 358 N GLN A 24 4.362 3.045 -6.431 1.00 0.00 N ATOM 359 CA GLN A 24 5.127 1.757 -6.509 1.00 0.00 C ATOM 360 C GLN A 24 4.864 0.865 -5.292 1.00 0.00 C ATOM 361 O GLN A 24 5.105 -0.319 -5.351 1.00 0.00 O ATOM 362 CB GLN A 24 6.602 2.156 -6.601 1.00 0.00 C ATOM 363 CG GLN A 24 6.993 2.960 -5.366 1.00 0.00 C ATOM 364 CD GLN A 24 8.425 2.623 -4.957 1.00 0.00 C ATOM 365 OE1 GLN A 24 9.369 3.109 -5.546 1.00 0.00 O ATOM 366 NE2 GLN A 24 8.625 1.803 -3.964 1.00 0.00 N ATOM 0 H GLN A 24 4.855 3.817 -5.983 1.00 0.00 H new ATOM 0 HA GLN A 24 4.818 1.168 -7.372 1.00 0.00 H new ATOM 0 HB2 GLN A 24 7.226 1.266 -6.680 1.00 0.00 H new ATOM 0 HB3 GLN A 24 6.774 2.746 -7.501 1.00 0.00 H new ATOM 0 HG2 GLN A 24 6.907 4.027 -5.574 1.00 0.00 H new ATOM 0 HG3 GLN A 24 6.310 2.738 -4.546 1.00 0.00 H new ATOM 0 HE21 GLN A 24 7.830 1.396 -3.471 1.00 0.00 H new ATOM 0 HE22 GLN A 24 9.576 1.568 -3.680 1.00 0.00 H new ATOM 375 N VAL A 25 4.354 1.391 -4.207 1.00 0.00 N ATOM 376 CA VAL A 25 4.057 0.499 -3.040 1.00 0.00 C ATOM 377 C VAL A 25 2.580 0.065 -3.116 1.00 0.00 C ATOM 378 O VAL A 25 2.249 -1.070 -2.867 1.00 0.00 O ATOM 379 CB VAL A 25 4.335 1.298 -1.756 1.00 0.00 C ATOM 380 CG1 VAL A 25 5.633 2.087 -1.888 1.00 0.00 C ATOM 381 CG2 VAL A 25 3.170 2.236 -1.460 1.00 0.00 C ATOM 0 H VAL A 25 4.133 2.378 -4.077 1.00 0.00 H new ATOM 0 HA VAL A 25 4.679 -0.396 -3.048 1.00 0.00 H new ATOM 0 HB VAL A 25 4.442 0.599 -0.926 1.00 0.00 H new ATOM 0 HG11 VAL A 25 5.814 2.646 -0.970 1.00 0.00 H new ATOM 0 HG12 VAL A 25 6.461 1.399 -2.063 1.00 0.00 H new ATOM 0 HG13 VAL A 25 5.554 2.780 -2.726 1.00 0.00 H new ATOM 0 HG21 VAL A 25 3.377 2.797 -0.549 1.00 0.00 H new ATOM 0 HG22 VAL A 25 3.041 2.929 -2.291 1.00 0.00 H new ATOM 0 HG23 VAL A 25 2.258 1.653 -1.328 1.00 0.00 H new ATOM 391 N LEU A 26 1.695 0.966 -3.483 1.00 0.00 N ATOM 392 CA LEU A 26 0.248 0.610 -3.589 1.00 0.00 C ATOM 393 C LEU A 26 0.019 -0.258 -4.829 1.00 0.00 C ATOM 394 O LEU A 26 -0.590 -1.307 -4.752 1.00 0.00 O ATOM 395 CB LEU A 26 -0.488 1.948 -3.737 1.00 0.00 C ATOM 396 CG LEU A 26 -0.998 2.448 -2.378 1.00 0.00 C ATOM 397 CD1 LEU A 26 -1.877 1.387 -1.717 1.00 0.00 C ATOM 398 CD2 LEU A 26 0.179 2.765 -1.459 1.00 0.00 C ATOM 0 H LEU A 26 1.918 1.934 -3.713 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.103 0.047 -2.724 1.00 0.00 H new ATOM 0 HB2 LEU A 26 0.182 2.689 -4.173 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.326 1.832 -4.424 1.00 0.00 H new ATOM 0 HG LEU A 26 -1.585 3.351 -2.544 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.231 1.756 -0.754 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.731 1.170 -2.359 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.297 0.477 -1.566 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -0.195 3.119 -0.498 1.00 0.00 H new ATOM 0 HD22 LEU A 26 0.775 1.865 -1.308 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.798 3.538 -1.914 1.00 0.00 H new ATOM 410 N LYS A 27 0.524 0.152 -5.970 1.00 0.00 N ATOM 411 CA LYS A 27 0.348 -0.684 -7.190 1.00 0.00 C ATOM 412 C LYS A 27 1.082 -2.002 -6.971 1.00 0.00 C ATOM 413 O LYS A 27 0.845 -2.989 -7.637 1.00 0.00 O ATOM 414 CB LYS A 27 0.982 0.114 -8.330 1.00 0.00 C ATOM 415 CG LYS A 27 0.611 -0.524 -9.672 1.00 0.00 C ATOM 416 CD LYS A 27 -0.906 -0.459 -9.871 1.00 0.00 C ATOM 417 CE LYS A 27 -1.218 -0.128 -11.333 1.00 0.00 C ATOM 418 NZ LYS A 27 -2.152 -1.200 -11.780 1.00 0.00 N ATOM 0 H LYS A 27 1.044 1.020 -6.104 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.695 -0.909 -7.413 1.00 0.00 H new ATOM 0 HB2 LYS A 27 0.637 1.148 -8.300 1.00 0.00 H new ATOM 0 HB3 LYS A 27 2.066 0.136 -8.213 1.00 0.00 H new ATOM 0 HG2 LYS A 27 1.117 -0.004 -10.485 1.00 0.00 H new ATOM 0 HG3 LYS A 27 0.947 -1.561 -9.698 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -1.360 -1.412 -9.598 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.337 0.298 -9.216 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -1.675 0.857 -11.426 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.311 -0.117 -11.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -2.412 -1.042 -12.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.688 -2.126 -11.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -3.009 -1.182 -11.191 1.00 0.00 H new ATOM 432 N LEU A 28 1.972 -2.009 -6.017 1.00 0.00 N ATOM 433 CA LEU A 28 2.739 -3.225 -5.696 1.00 0.00 C ATOM 434 C LEU A 28 1.977 -4.027 -4.626 1.00 0.00 C ATOM 435 O LEU A 28 1.719 -5.190 -4.807 1.00 0.00 O ATOM 436 CB LEU A 28 4.070 -2.669 -5.196 1.00 0.00 C ATOM 437 CG LEU A 28 4.727 -3.643 -4.236 1.00 0.00 C ATOM 438 CD1 LEU A 28 6.162 -3.908 -4.681 1.00 0.00 C ATOM 439 CD2 LEU A 28 4.724 -3.046 -2.831 1.00 0.00 C ATOM 0 H LEU A 28 2.198 -1.200 -5.439 1.00 0.00 H new ATOM 0 HA LEU A 28 2.888 -3.915 -6.527 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.732 -2.480 -6.041 1.00 0.00 H new ATOM 0 HB3 LEU A 28 3.907 -1.713 -4.698 1.00 0.00 H new ATOM 0 HG LEU A 28 4.174 -4.582 -4.232 1.00 0.00 H new ATOM 0 HD11 LEU A 28 6.634 -4.608 -3.991 1.00 0.00 H new ATOM 0 HD12 LEU A 28 6.159 -4.334 -5.684 1.00 0.00 H new ATOM 0 HD13 LEU A 28 6.720 -2.972 -4.686 1.00 0.00 H new ATOM 0 HD21 LEU A 28 5.195 -3.743 -2.138 1.00 0.00 H new ATOM 0 HD22 LEU A 28 5.278 -2.107 -2.833 1.00 0.00 H new ATOM 0 HD23 LEU A 28 3.697 -2.861 -2.517 1.00 0.00 H new ATOM 451 N PHE A 29 1.590 -3.409 -3.534 1.00 0.00 N ATOM 452 CA PHE A 29 0.808 -4.141 -2.485 1.00 0.00 C ATOM 453 C PHE A 29 -0.379 -4.814 -3.137 1.00 0.00 C ATOM 454 O PHE A 29 -0.770 -5.904 -2.788 1.00 0.00 O ATOM 455 CB PHE A 29 0.296 -3.066 -1.523 1.00 0.00 C ATOM 456 CG PHE A 29 1.442 -2.397 -0.827 1.00 0.00 C ATOM 457 CD1 PHE A 29 2.665 -3.059 -0.673 1.00 0.00 C ATOM 458 CD2 PHE A 29 1.278 -1.103 -0.340 1.00 0.00 C ATOM 459 CE1 PHE A 29 3.720 -2.422 -0.032 1.00 0.00 C ATOM 460 CE2 PHE A 29 2.335 -0.463 0.301 1.00 0.00 C ATOM 461 CZ PHE A 29 3.555 -1.121 0.455 1.00 0.00 C ATOM 0 H PHE A 29 1.782 -2.429 -3.324 1.00 0.00 H new ATOM 0 HA PHE A 29 1.412 -4.894 -1.978 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -0.286 -2.326 -2.072 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -0.372 -3.515 -0.788 1.00 0.00 H new ATOM 0 HD1 PHE A 29 2.788 -4.063 -1.052 1.00 0.00 H new ATOM 0 HD2 PHE A 29 0.332 -0.596 -0.459 1.00 0.00 H new ATOM 0 HE1 PHE A 29 4.665 -2.930 0.090 1.00 0.00 H new ATOM 0 HE2 PHE A 29 2.211 0.541 0.678 1.00 0.00 H new ATOM 0 HZ PHE A 29 4.375 -0.624 0.952 1.00 0.00 H new ATOM 471 N TYR A 30 -0.956 -4.155 -4.088 1.00 0.00 N ATOM 472 CA TYR A 30 -2.124 -4.746 -4.779 1.00 0.00 C ATOM 473 C TYR A 30 -1.631 -5.858 -5.711 1.00 0.00 C ATOM 474 O TYR A 30 -2.367 -6.756 -6.071 1.00 0.00 O ATOM 475 CB TYR A 30 -2.759 -3.593 -5.558 1.00 0.00 C ATOM 476 CG TYR A 30 -4.250 -3.667 -5.374 1.00 0.00 C ATOM 477 CD1 TYR A 30 -5.019 -4.495 -6.195 1.00 0.00 C ATOM 478 CD2 TYR A 30 -4.859 -2.922 -4.357 1.00 0.00 C ATOM 479 CE1 TYR A 30 -6.402 -4.578 -6.002 1.00 0.00 C ATOM 480 CE2 TYR A 30 -6.240 -3.008 -4.160 1.00 0.00 C ATOM 481 CZ TYR A 30 -7.014 -3.836 -4.984 1.00 0.00 C ATOM 482 OH TYR A 30 -8.380 -3.927 -4.792 1.00 0.00 O ATOM 0 H TYR A 30 -0.672 -3.233 -4.419 1.00 0.00 H new ATOM 0 HA TYR A 30 -2.850 -5.192 -4.100 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -2.379 -2.637 -5.199 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -2.502 -3.662 -6.615 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -4.547 -5.070 -6.978 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -4.262 -2.281 -3.725 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -6.998 -5.215 -6.639 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -6.710 -2.437 -3.373 1.00 0.00 H new ATOM 0 HH TYR A 30 -8.576 -3.928 -3.832 1.00 0.00 H new ATOM 492 N ALA A 31 -0.371 -5.815 -6.080 1.00 0.00 N ATOM 493 CA ALA A 31 0.195 -6.880 -6.964 1.00 0.00 C ATOM 494 C ALA A 31 0.753 -8.016 -6.097 1.00 0.00 C ATOM 495 O ALA A 31 0.711 -9.174 -6.463 1.00 0.00 O ATOM 496 CB ALA A 31 1.319 -6.197 -7.747 1.00 0.00 C ATOM 0 H ALA A 31 0.288 -5.087 -5.806 1.00 0.00 H new ATOM 0 HA ALA A 31 -0.550 -7.313 -7.632 1.00 0.00 H new ATOM 0 HB1 ALA A 31 1.784 -6.918 -8.420 1.00 0.00 H new ATOM 0 HB2 ALA A 31 0.908 -5.371 -8.328 1.00 0.00 H new ATOM 0 HB3 ALA A 31 2.067 -5.815 -7.052 1.00 0.00 H new ATOM 502 N GLU A 32 1.251 -7.685 -4.934 1.00 0.00 N ATOM 503 CA GLU A 32 1.788 -8.719 -4.011 1.00 0.00 C ATOM 504 C GLU A 32 0.647 -9.192 -3.121 1.00 0.00 C ATOM 505 O GLU A 32 0.420 -10.374 -2.958 1.00 0.00 O ATOM 506 CB GLU A 32 2.865 -8.008 -3.193 1.00 0.00 C ATOM 507 CG GLU A 32 3.966 -9.004 -2.823 1.00 0.00 C ATOM 508 CD GLU A 32 5.080 -8.944 -3.869 1.00 0.00 C ATOM 509 OE1 GLU A 32 5.365 -7.856 -4.342 1.00 0.00 O ATOM 510 OE2 GLU A 32 5.631 -9.988 -4.180 1.00 0.00 O ATOM 0 H GLU A 32 1.307 -6.729 -4.584 1.00 0.00 H new ATOM 0 HA GLU A 32 2.203 -9.588 -4.521 1.00 0.00 H new ATOM 0 HB2 GLU A 32 3.285 -7.181 -3.766 1.00 0.00 H new ATOM 0 HB3 GLU A 32 2.428 -7.581 -2.290 1.00 0.00 H new ATOM 0 HG2 GLU A 32 4.366 -8.770 -1.836 1.00 0.00 H new ATOM 0 HG3 GLU A 32 3.556 -10.013 -2.770 1.00 0.00 H new ATOM 517 N TYR A 33 -0.091 -8.266 -2.568 1.00 0.00 N ATOM 518 CA TYR A 33 -1.263 -8.639 -1.714 1.00 0.00 C ATOM 519 C TYR A 33 -2.553 -8.499 -2.545 1.00 0.00 C ATOM 520 O TYR A 33 -3.213 -7.481 -2.479 1.00 0.00 O ATOM 521 CB TYR A 33 -1.299 -7.648 -0.533 1.00 0.00 C ATOM 522 CG TYR A 33 0.085 -7.160 -0.138 1.00 0.00 C ATOM 523 CD1 TYR A 33 1.202 -8.001 -0.221 1.00 0.00 C ATOM 524 CD2 TYR A 33 0.236 -5.851 0.331 1.00 0.00 C ATOM 525 CE1 TYR A 33 2.465 -7.523 0.160 1.00 0.00 C ATOM 526 CE2 TYR A 33 1.492 -5.377 0.715 1.00 0.00 C ATOM 527 CZ TYR A 33 2.607 -6.213 0.628 1.00 0.00 C ATOM 528 OH TYR A 33 3.848 -5.749 1.013 1.00 0.00 O ATOM 0 H TYR A 33 0.066 -7.263 -2.670 1.00 0.00 H new ATOM 0 HA TYR A 33 -1.182 -9.665 -1.355 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -1.919 -6.793 -0.800 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -1.770 -8.128 0.325 1.00 0.00 H new ATOM 0 HD1 TYR A 33 1.091 -9.015 -0.577 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -0.625 -5.202 0.397 1.00 0.00 H new ATOM 0 HE1 TYR A 33 3.329 -8.168 0.092 1.00 0.00 H new ATOM 0 HE2 TYR A 33 1.601 -4.366 1.079 1.00 0.00 H new ATOM 0 HH TYR A 33 3.923 -4.796 0.796 1.00 0.00 H new ATOM 538 N PRO A 34 -2.872 -9.518 -3.306 1.00 0.00 N ATOM 539 CA PRO A 34 -4.093 -9.482 -4.160 1.00 0.00 C ATOM 540 C PRO A 34 -5.365 -9.501 -3.307 1.00 0.00 C ATOM 541 O PRO A 34 -6.151 -10.426 -3.374 1.00 0.00 O ATOM 542 CB PRO A 34 -3.983 -10.758 -4.990 1.00 0.00 C ATOM 543 CG PRO A 34 -3.127 -11.667 -4.175 1.00 0.00 C ATOM 544 CD PRO A 34 -2.150 -10.787 -3.449 1.00 0.00 C ATOM 0 HA PRO A 34 -4.156 -8.579 -4.767 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -4.964 -11.197 -5.174 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -3.535 -10.560 -5.964 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -3.730 -12.242 -3.472 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -2.607 -12.384 -4.810 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -1.877 -11.205 -2.480 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -1.226 -10.662 -4.014 1.00 0.00 H new ATOM 552 N SER A 35 -5.575 -8.478 -2.518 1.00 0.00 N ATOM 553 CA SER A 35 -6.794 -8.409 -1.653 1.00 0.00 C ATOM 554 C SER A 35 -6.633 -7.268 -0.650 1.00 0.00 C ATOM 555 O SER A 35 -6.009 -7.424 0.379 1.00 0.00 O ATOM 556 CB SER A 35 -6.871 -9.753 -0.922 1.00 0.00 C ATOM 557 OG SER A 35 -7.592 -9.591 0.293 1.00 0.00 O ATOM 0 H SER A 35 -4.947 -7.678 -2.435 1.00 0.00 H new ATOM 0 HA SER A 35 -7.699 -8.225 -2.231 1.00 0.00 H new ATOM 0 HB2 SER A 35 -7.362 -10.494 -1.552 1.00 0.00 H new ATOM 0 HB3 SER A 35 -5.867 -10.125 -0.715 1.00 0.00 H new ATOM 0 HG SER A 35 -8.383 -10.170 0.284 1.00 0.00 H new ATOM 563 N THR A 36 -7.180 -6.120 -0.954 1.00 0.00 N ATOM 564 CA THR A 36 -7.054 -4.948 -0.031 1.00 0.00 C ATOM 565 C THR A 36 -7.278 -5.363 1.429 1.00 0.00 C ATOM 566 O THR A 36 -6.682 -4.817 2.336 1.00 0.00 O ATOM 567 CB THR A 36 -8.139 -3.976 -0.480 1.00 0.00 C ATOM 568 OG1 THR A 36 -8.175 -3.925 -1.898 1.00 0.00 O ATOM 569 CG2 THR A 36 -7.833 -2.595 0.077 1.00 0.00 C ATOM 0 H THR A 36 -7.712 -5.941 -1.806 1.00 0.00 H new ATOM 0 HA THR A 36 -6.058 -4.508 -0.074 1.00 0.00 H new ATOM 0 HB THR A 36 -9.108 -4.311 -0.111 1.00 0.00 H new ATOM 0 HG1 THR A 36 -7.269 -3.783 -2.243 1.00 0.00 H new ATOM 0 HG21 THR A 36 -8.606 -1.895 -0.241 1.00 0.00 H new ATOM 0 HG22 THR A 36 -7.809 -2.639 1.166 1.00 0.00 H new ATOM 0 HG23 THR A 36 -6.865 -2.259 -0.294 1.00 0.00 H new ATOM 577 N ARG A 37 -8.130 -6.324 1.658 1.00 0.00 N ATOM 578 CA ARG A 37 -8.392 -6.773 3.058 1.00 0.00 C ATOM 579 C ARG A 37 -7.104 -7.324 3.688 1.00 0.00 C ATOM 580 O ARG A 37 -6.573 -6.751 4.620 1.00 0.00 O ATOM 581 CB ARG A 37 -9.464 -7.857 2.920 1.00 0.00 C ATOM 582 CG ARG A 37 -9.593 -8.647 4.227 1.00 0.00 C ATOM 583 CD ARG A 37 -10.035 -7.709 5.353 1.00 0.00 C ATOM 584 NE ARG A 37 -10.661 -8.600 6.369 1.00 0.00 N ATOM 585 CZ ARG A 37 -11.958 -8.734 6.411 1.00 0.00 C ATOM 586 NH1 ARG A 37 -12.639 -8.834 5.303 1.00 0.00 N ATOM 587 NH2 ARG A 37 -12.573 -8.769 7.561 1.00 0.00 N ATOM 0 H ARG A 37 -8.657 -6.819 0.938 1.00 0.00 H new ATOM 0 HA ARG A 37 -8.723 -5.964 3.710 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -10.421 -7.401 2.667 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -9.206 -8.531 2.103 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -10.317 -9.453 4.106 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -8.639 -9.110 4.479 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -9.187 -7.167 5.772 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -10.743 -6.963 4.991 1.00 0.00 H new ATOM 0 HE ARG A 37 -10.075 -9.106 7.033 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -12.157 -8.807 4.404 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -13.653 -8.939 5.335 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -12.040 -8.692 8.427 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -13.587 -8.874 7.594 1.00 0.00 H new ATOM 601 N LYS A 38 -6.590 -8.421 3.190 1.00 0.00 N ATOM 602 CA LYS A 38 -5.330 -8.975 3.774 1.00 0.00 C ATOM 603 C LYS A 38 -4.152 -8.078 3.375 1.00 0.00 C ATOM 604 O LYS A 38 -3.127 -8.047 4.025 1.00 0.00 O ATOM 605 CB LYS A 38 -5.187 -10.387 3.189 1.00 0.00 C ATOM 606 CG LYS A 38 -4.777 -10.313 1.716 1.00 0.00 C ATOM 607 CD LYS A 38 -4.554 -11.727 1.176 1.00 0.00 C ATOM 608 CE LYS A 38 -5.887 -12.315 0.702 1.00 0.00 C ATOM 609 NZ LYS A 38 -5.661 -12.690 -0.723 1.00 0.00 N ATOM 0 H LYS A 38 -6.983 -8.952 2.413 1.00 0.00 H new ATOM 0 HA LYS A 38 -5.350 -9.013 4.863 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -4.442 -10.948 3.753 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -6.130 -10.925 3.284 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -5.551 -9.809 1.137 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -3.866 -9.724 1.610 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -3.842 -11.703 0.351 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -4.122 -12.359 1.952 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -6.169 -13.183 1.298 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -6.694 -11.588 0.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -6.564 -12.660 -1.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -4.994 -12.021 -1.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -5.267 -13.651 -0.771 1.00 0.00 H new ATOM 623 N LEU A 39 -4.318 -7.323 2.322 1.00 0.00 N ATOM 624 CA LEU A 39 -3.244 -6.391 1.874 1.00 0.00 C ATOM 625 C LEU A 39 -3.100 -5.307 2.947 1.00 0.00 C ATOM 626 O LEU A 39 -2.011 -4.955 3.372 1.00 0.00 O ATOM 627 CB LEU A 39 -3.798 -5.832 0.552 1.00 0.00 C ATOM 628 CG LEU A 39 -3.062 -4.562 0.120 1.00 0.00 C ATOM 629 CD1 LEU A 39 -3.178 -4.399 -1.397 1.00 0.00 C ATOM 630 CD2 LEU A 39 -3.698 -3.355 0.801 1.00 0.00 C ATOM 0 H LEU A 39 -5.161 -7.313 1.748 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.259 -6.836 1.733 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.708 -6.588 -0.228 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.860 -5.616 0.665 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.012 -4.635 0.403 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.654 -3.495 -1.707 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.733 -5.263 -1.891 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -4.229 -4.323 -1.675 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -3.176 -2.448 0.496 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -4.747 -3.285 0.512 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.626 -3.468 1.883 1.00 0.00 H new ATOM 642 N ALA A 40 -4.211 -4.815 3.412 1.00 0.00 N ATOM 643 CA ALA A 40 -4.204 -3.783 4.486 1.00 0.00 C ATOM 644 C ALA A 40 -3.748 -4.413 5.805 1.00 0.00 C ATOM 645 O ALA A 40 -3.118 -3.776 6.627 1.00 0.00 O ATOM 646 CB ALA A 40 -5.658 -3.325 4.582 1.00 0.00 C ATOM 0 H ALA A 40 -5.139 -5.088 3.089 1.00 0.00 H new ATOM 0 HA ALA A 40 -3.526 -2.955 4.277 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -5.748 -2.560 5.353 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.974 -2.913 3.624 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.291 -4.175 4.838 1.00 0.00 H new ATOM 652 N GLN A 41 -4.058 -5.666 6.010 1.00 0.00 N ATOM 653 CA GLN A 41 -3.639 -6.341 7.274 1.00 0.00 C ATOM 654 C GLN A 41 -2.112 -6.368 7.367 1.00 0.00 C ATOM 655 O GLN A 41 -1.543 -6.175 8.424 1.00 0.00 O ATOM 656 CB GLN A 41 -4.196 -7.759 7.179 1.00 0.00 C ATOM 657 CG GLN A 41 -4.063 -8.450 8.536 1.00 0.00 C ATOM 658 CD GLN A 41 -4.446 -9.923 8.397 1.00 0.00 C ATOM 659 OE1 GLN A 41 -3.591 -10.786 8.363 1.00 0.00 O ATOM 660 NE2 GLN A 41 -5.706 -10.251 8.314 1.00 0.00 N ATOM 0 H GLN A 41 -4.582 -6.250 5.359 1.00 0.00 H new ATOM 0 HA GLN A 41 -4.007 -5.824 8.160 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -5.242 -7.731 6.874 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -3.657 -8.323 6.417 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -3.040 -8.362 8.902 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -4.707 -7.963 9.269 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -6.424 -9.527 8.342 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -5.973 -11.231 8.221 1.00 0.00 H new ATOM 669 N ARG A 42 -1.443 -6.593 6.266 1.00 0.00 N ATOM 670 CA ARG A 42 0.047 -6.616 6.295 1.00 0.00 C ATOM 671 C ARG A 42 0.572 -5.208 6.565 1.00 0.00 C ATOM 672 O ARG A 42 1.497 -5.014 7.327 1.00 0.00 O ATOM 673 CB ARG A 42 0.471 -7.087 4.902 1.00 0.00 C ATOM 674 CG ARG A 42 0.859 -8.567 4.955 1.00 0.00 C ATOM 675 CD ARG A 42 -0.334 -9.425 4.529 1.00 0.00 C ATOM 676 NE ARG A 42 -0.166 -10.708 5.264 1.00 0.00 N ATOM 677 CZ ARG A 42 -1.205 -11.300 5.787 1.00 0.00 C ATOM 678 NH1 ARG A 42 -2.158 -11.748 5.015 1.00 0.00 N ATOM 679 NH2 ARG A 42 -1.293 -11.443 7.081 1.00 0.00 N ATOM 0 H ARG A 42 -1.863 -6.761 5.352 1.00 0.00 H new ATOM 0 HA ARG A 42 0.439 -7.269 7.075 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -0.344 -6.940 4.194 1.00 0.00 H new ATOM 0 HB3 ARG A 42 1.313 -6.493 4.547 1.00 0.00 H new ATOM 0 HG2 ARG A 42 1.708 -8.755 4.298 1.00 0.00 H new ATOM 0 HG3 ARG A 42 1.171 -8.836 5.964 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -1.278 -8.944 4.785 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -0.340 -9.585 3.451 1.00 0.00 H new ATOM 0 HE ARG A 42 0.760 -11.124 5.359 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -2.090 -11.635 4.004 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -2.970 -12.211 5.423 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -0.549 -11.092 7.685 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -2.105 -11.906 7.489 1.00 0.00 H new ATOM 693 N LEU A 43 -0.018 -4.223 5.944 1.00 0.00 N ATOM 694 CA LEU A 43 0.436 -2.815 6.158 1.00 0.00 C ATOM 695 C LEU A 43 -0.131 -2.240 7.454 1.00 0.00 C ATOM 696 O LEU A 43 0.330 -1.230 7.947 1.00 0.00 O ATOM 697 CB LEU A 43 -0.081 -2.056 4.952 1.00 0.00 C ATOM 698 CG LEU A 43 1.088 -1.770 4.012 1.00 0.00 C ATOM 699 CD1 LEU A 43 1.604 -3.081 3.412 1.00 0.00 C ATOM 700 CD2 LEU A 43 0.623 -0.847 2.894 1.00 0.00 C ATOM 0 H LEU A 43 -0.798 -4.331 5.295 1.00 0.00 H new ATOM 0 HA LEU A 43 1.520 -2.746 6.254 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.845 -2.640 4.438 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.550 -1.123 5.266 1.00 0.00 H new ATOM 0 HG LEU A 43 1.892 -1.291 4.571 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.438 -2.871 2.742 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.939 -3.741 4.213 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.803 -3.566 2.854 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.456 -0.641 2.222 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.182 -1.326 2.338 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.262 0.089 3.321 1.00 0.00 H new ATOM 712 N GLY A 44 -1.124 -2.869 8.007 1.00 0.00 N ATOM 713 CA GLY A 44 -1.716 -2.351 9.273 1.00 0.00 C ATOM 714 C GLY A 44 -2.594 -1.149 8.946 1.00 0.00 C ATOM 715 O GLY A 44 -2.224 -0.013 9.173 1.00 0.00 O ATOM 0 H GLY A 44 -1.553 -3.719 7.641 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -2.305 -3.128 9.760 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -0.928 -2.065 9.969 1.00 0.00 H new ATOM 719 N VAL A 45 -3.745 -1.395 8.394 1.00 0.00 N ATOM 720 CA VAL A 45 -4.648 -0.275 8.020 1.00 0.00 C ATOM 721 C VAL A 45 -6.102 -0.756 8.023 1.00 0.00 C ATOM 722 O VAL A 45 -6.373 -1.939 8.090 1.00 0.00 O ATOM 723 CB VAL A 45 -4.191 0.145 6.615 1.00 0.00 C ATOM 724 CG1 VAL A 45 -3.319 1.396 6.720 1.00 0.00 C ATOM 725 CG2 VAL A 45 -3.378 -0.978 5.965 1.00 0.00 C ATOM 0 H VAL A 45 -4.102 -2.327 8.184 1.00 0.00 H new ATOM 0 HA VAL A 45 -4.601 0.562 8.717 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.070 0.351 6.004 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -2.993 1.697 5.724 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -3.894 2.204 7.173 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -2.447 1.181 7.338 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -3.060 -0.668 4.970 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -2.501 -1.193 6.576 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -3.993 -1.874 5.886 1.00 0.00 H new ATOM 735 N SER A 46 -7.041 0.152 7.974 1.00 0.00 N ATOM 736 CA SER A 46 -8.481 -0.251 8.000 1.00 0.00 C ATOM 737 C SER A 46 -8.951 -0.726 6.621 1.00 0.00 C ATOM 738 O SER A 46 -10.058 -0.443 6.212 1.00 0.00 O ATOM 739 CB SER A 46 -9.234 1.012 8.413 1.00 0.00 C ATOM 740 OG SER A 46 -9.409 1.013 9.824 1.00 0.00 O ATOM 0 H SER A 46 -6.874 1.157 7.917 1.00 0.00 H new ATOM 0 HA SER A 46 -8.653 -1.082 8.684 1.00 0.00 H new ATOM 0 HB2 SER A 46 -8.680 1.898 8.103 1.00 0.00 H new ATOM 0 HB3 SER A 46 -10.203 1.051 7.915 1.00 0.00 H new ATOM 0 HG SER A 46 -9.890 1.823 10.093 1.00 0.00 H new ATOM 746 N HIS A 47 -8.123 -1.450 5.913 1.00 0.00 N ATOM 747 CA HIS A 47 -8.498 -1.961 4.563 1.00 0.00 C ATOM 748 C HIS A 47 -9.185 -0.885 3.714 1.00 0.00 C ATOM 749 O HIS A 47 -8.547 -0.216 2.930 1.00 0.00 O ATOM 750 CB HIS A 47 -9.447 -3.137 4.819 1.00 0.00 C ATOM 751 CG HIS A 47 -10.097 -3.521 3.519 1.00 0.00 C ATOM 752 ND1 HIS A 47 -11.154 -4.404 3.438 1.00 0.00 N ATOM 753 CD2 HIS A 47 -9.851 -3.117 2.234 1.00 0.00 C ATOM 754 CE1 HIS A 47 -11.495 -4.495 2.140 1.00 0.00 C ATOM 755 NE2 HIS A 47 -10.732 -3.733 1.366 1.00 0.00 N ATOM 0 H HIS A 47 -7.186 -1.712 6.220 1.00 0.00 H new ATOM 0 HA HIS A 47 -7.614 -2.261 4.001 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -8.898 -3.983 5.232 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -10.204 -2.860 5.553 1.00 0.00 H new ATOM 0 HD1 HIS A 47 -11.594 -4.895 4.216 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -9.081 -2.419 1.942 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -12.297 -5.116 1.770 1.00 0.00 H new ATOM 763 N THR A 48 -10.481 -0.739 3.837 1.00 0.00 N ATOM 764 CA THR A 48 -11.202 0.272 3.010 1.00 0.00 C ATOM 765 C THR A 48 -10.399 1.569 2.962 1.00 0.00 C ATOM 766 O THR A 48 -10.218 2.164 1.917 1.00 0.00 O ATOM 767 CB THR A 48 -12.533 0.500 3.714 1.00 0.00 C ATOM 768 OG1 THR A 48 -12.841 -0.615 4.542 1.00 0.00 O ATOM 769 CG2 THR A 48 -13.632 0.681 2.671 1.00 0.00 C ATOM 0 H THR A 48 -11.069 -1.277 4.474 1.00 0.00 H new ATOM 0 HA THR A 48 -11.343 -0.064 1.983 1.00 0.00 H new ATOM 0 HB THR A 48 -12.464 1.395 4.333 1.00 0.00 H new ATOM 0 HG1 THR A 48 -12.482 -0.464 5.441 1.00 0.00 H new ATOM 0 HG21 THR A 48 -14.586 0.844 3.172 1.00 0.00 H new ATOM 0 HG22 THR A 48 -13.400 1.541 2.043 1.00 0.00 H new ATOM 0 HG23 THR A 48 -13.696 -0.213 2.051 1.00 0.00 H new ATOM 777 N ALA A 49 -9.891 1.995 4.089 1.00 0.00 N ATOM 778 CA ALA A 49 -9.074 3.237 4.110 1.00 0.00 C ATOM 779 C ALA A 49 -7.914 3.081 3.125 1.00 0.00 C ATOM 780 O ALA A 49 -7.567 3.992 2.400 1.00 0.00 O ATOM 781 CB ALA A 49 -8.549 3.353 5.545 1.00 0.00 C ATOM 0 H ALA A 49 -10.008 1.536 4.992 1.00 0.00 H new ATOM 0 HA ALA A 49 -9.641 4.123 3.824 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -7.935 4.249 5.637 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -9.390 3.416 6.236 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -7.948 2.476 5.785 1.00 0.00 H new ATOM 787 N ILE A 50 -7.328 1.913 3.089 1.00 0.00 N ATOM 788 CA ILE A 50 -6.203 1.662 2.149 1.00 0.00 C ATOM 789 C ILE A 50 -6.734 1.631 0.713 1.00 0.00 C ATOM 790 O ILE A 50 -6.128 2.158 -0.198 1.00 0.00 O ATOM 791 CB ILE A 50 -5.618 0.301 2.576 1.00 0.00 C ATOM 792 CG1 ILE A 50 -4.090 0.437 2.665 1.00 0.00 C ATOM 793 CG2 ILE A 50 -6.008 -0.803 1.576 1.00 0.00 C ATOM 794 CD1 ILE A 50 -3.409 -0.922 2.490 1.00 0.00 C ATOM 0 H ILE A 50 -7.584 1.119 3.676 1.00 0.00 H new ATOM 0 HA ILE A 50 -5.438 2.438 2.179 1.00 0.00 H new ATOM 0 HB ILE A 50 -6.023 0.017 3.547 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -3.737 1.126 1.898 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -3.815 0.865 3.629 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -5.583 -1.753 1.899 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -7.094 -0.887 1.532 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -5.623 -0.551 0.588 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -2.328 -0.799 2.557 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -3.746 -1.601 3.273 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -3.667 -1.335 1.515 1.00 0.00 H new ATOM 806 N ALA A 51 -7.869 1.018 0.513 1.00 0.00 N ATOM 807 CA ALA A 51 -8.455 0.947 -0.855 1.00 0.00 C ATOM 808 C ALA A 51 -8.747 2.358 -1.367 1.00 0.00 C ATOM 809 O ALA A 51 -8.368 2.716 -2.456 1.00 0.00 O ATOM 810 CB ALA A 51 -9.756 0.156 -0.695 1.00 0.00 C ATOM 0 H ALA A 51 -8.418 0.562 1.242 1.00 0.00 H new ATOM 0 HA ALA A 51 -7.782 0.475 -1.570 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -10.246 0.062 -1.664 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -9.533 -0.836 -0.303 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -10.417 0.679 -0.003 1.00 0.00 H new ATOM 816 N ASN A 52 -9.432 3.151 -0.589 1.00 0.00 N ATOM 817 CA ASN A 52 -9.770 4.538 -1.032 1.00 0.00 C ATOM 818 C ASN A 52 -8.512 5.358 -1.343 1.00 0.00 C ATOM 819 O ASN A 52 -8.407 5.970 -2.393 1.00 0.00 O ATOM 820 CB ASN A 52 -10.511 5.150 0.158 1.00 0.00 C ATOM 821 CG ASN A 52 -11.702 5.958 -0.344 1.00 0.00 C ATOM 822 OD1 ASN A 52 -11.542 7.028 -0.897 1.00 0.00 O ATOM 823 ND2 ASN A 52 -12.902 5.483 -0.167 1.00 0.00 N ATOM 0 H ASN A 52 -9.774 2.899 0.338 1.00 0.00 H new ATOM 0 HA ASN A 52 -10.361 4.531 -1.948 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -10.850 4.363 0.832 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -9.838 5.790 0.728 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -13.712 6.010 -0.493 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -13.031 4.584 0.298 1.00 0.00 H new ATOM 830 N LYS A 53 -7.564 5.395 -0.442 1.00 0.00 N ATOM 831 CA LYS A 53 -6.338 6.203 -0.693 1.00 0.00 C ATOM 832 C LYS A 53 -5.613 5.697 -1.932 1.00 0.00 C ATOM 833 O LYS A 53 -5.055 6.465 -2.691 1.00 0.00 O ATOM 834 CB LYS A 53 -5.464 6.014 0.545 1.00 0.00 C ATOM 835 CG LYS A 53 -5.973 6.915 1.673 1.00 0.00 C ATOM 836 CD LYS A 53 -5.980 6.139 2.995 1.00 0.00 C ATOM 837 CE LYS A 53 -5.255 6.954 4.068 1.00 0.00 C ATOM 838 NZ LYS A 53 -5.542 6.248 5.348 1.00 0.00 N ATOM 0 H LYS A 53 -7.587 4.903 0.451 1.00 0.00 H new ATOM 0 HA LYS A 53 -6.575 7.253 -0.867 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -5.484 4.971 0.861 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -4.427 6.256 0.312 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -5.338 7.796 1.762 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -6.978 7.268 1.443 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -7.005 5.939 3.306 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -5.492 5.173 2.865 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -4.183 6.998 3.873 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -5.617 7.982 4.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -6.139 6.850 5.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -6.039 5.356 5.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -4.649 6.044 5.840 1.00 0.00 H new ATOM 852 N LEU A 54 -5.600 4.410 -2.137 1.00 0.00 N ATOM 853 CA LEU A 54 -4.888 3.877 -3.322 1.00 0.00 C ATOM 854 C LEU A 54 -5.841 3.636 -4.498 1.00 0.00 C ATOM 855 O LEU A 54 -5.410 3.415 -5.613 1.00 0.00 O ATOM 856 CB LEU A 54 -4.185 2.614 -2.829 1.00 0.00 C ATOM 857 CG LEU A 54 -5.035 1.360 -3.037 1.00 0.00 C ATOM 858 CD1 LEU A 54 -4.553 0.646 -4.295 1.00 0.00 C ATOM 859 CD2 LEU A 54 -4.864 0.429 -1.831 1.00 0.00 C ATOM 0 H LEU A 54 -6.047 3.714 -1.541 1.00 0.00 H new ATOM 0 HA LEU A 54 -4.162 4.583 -3.724 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.237 2.499 -3.355 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -3.951 2.721 -1.770 1.00 0.00 H new ATOM 0 HG LEU A 54 -6.085 1.633 -3.141 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -5.151 -0.251 -4.456 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -4.657 1.310 -5.153 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -3.506 0.368 -4.177 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -5.468 -0.467 -1.974 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -3.815 0.148 -1.734 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -5.187 0.943 -0.926 1.00 0.00 H new ATOM 871 N LYS A 55 -7.124 3.725 -4.277 1.00 0.00 N ATOM 872 CA LYS A 55 -8.075 3.550 -5.408 1.00 0.00 C ATOM 873 C LYS A 55 -7.981 4.796 -6.281 1.00 0.00 C ATOM 874 O LYS A 55 -8.040 4.735 -7.494 1.00 0.00 O ATOM 875 CB LYS A 55 -9.464 3.426 -4.768 1.00 0.00 C ATOM 876 CG LYS A 55 -10.554 3.543 -5.843 1.00 0.00 C ATOM 877 CD LYS A 55 -11.370 4.819 -5.611 1.00 0.00 C ATOM 878 CE LYS A 55 -12.838 4.559 -5.958 1.00 0.00 C ATOM 879 NZ LYS A 55 -13.475 4.179 -4.667 1.00 0.00 N ATOM 0 H LYS A 55 -7.551 3.910 -3.369 1.00 0.00 H new ATOM 0 HA LYS A 55 -7.866 2.677 -6.026 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -9.551 2.469 -4.253 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -9.598 4.205 -4.017 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -10.101 3.564 -6.834 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -11.207 2.671 -5.810 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -11.282 5.135 -4.572 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -10.979 5.630 -6.225 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -13.307 5.446 -6.384 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -12.935 3.762 -6.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -14.485 3.985 -4.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -13.013 3.328 -4.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -13.373 4.959 -3.987 1.00 0.00 H new ATOM 893 N GLN A 56 -7.818 5.932 -5.656 1.00 0.00 N ATOM 894 CA GLN A 56 -7.699 7.203 -6.426 1.00 0.00 C ATOM 895 C GLN A 56 -6.462 7.164 -7.336 1.00 0.00 C ATOM 896 O GLN A 56 -6.410 7.838 -8.347 1.00 0.00 O ATOM 897 CB GLN A 56 -7.548 8.296 -5.365 1.00 0.00 C ATOM 898 CG GLN A 56 -8.382 9.517 -5.762 1.00 0.00 C ATOM 899 CD GLN A 56 -7.469 10.593 -6.351 1.00 0.00 C ATOM 900 OE1 GLN A 56 -7.376 10.737 -7.554 1.00 0.00 O ATOM 901 NE2 GLN A 56 -6.782 11.360 -5.549 1.00 0.00 N ATOM 0 H GLN A 56 -7.762 6.034 -4.643 1.00 0.00 H new ATOM 0 HA GLN A 56 -8.561 7.374 -7.071 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -7.873 7.922 -4.394 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -6.500 8.576 -5.264 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -9.140 9.231 -6.491 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -8.908 9.909 -4.892 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -6.859 11.241 -4.539 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -6.168 12.079 -5.932 1.00 0.00 H new ATOM 910 N TYR A 57 -5.466 6.382 -6.992 1.00 0.00 N ATOM 911 CA TYR A 57 -4.241 6.315 -7.849 1.00 0.00 C ATOM 912 C TYR A 57 -4.548 5.570 -9.154 1.00 0.00 C ATOM 913 O TYR A 57 -3.857 5.722 -10.142 1.00 0.00 O ATOM 914 CB TYR A 57 -3.197 5.543 -7.029 1.00 0.00 C ATOM 915 CG TYR A 57 -2.923 6.240 -5.710 1.00 0.00 C ATOM 916 CD1 TYR A 57 -2.965 7.638 -5.617 1.00 0.00 C ATOM 917 CD2 TYR A 57 -2.615 5.478 -4.578 1.00 0.00 C ATOM 918 CE1 TYR A 57 -2.702 8.267 -4.392 1.00 0.00 C ATOM 919 CE2 TYR A 57 -2.356 6.108 -3.354 1.00 0.00 C ATOM 920 CZ TYR A 57 -2.399 7.501 -3.262 1.00 0.00 C ATOM 921 OH TYR A 57 -2.139 8.122 -2.056 1.00 0.00 O ATOM 0 H TYR A 57 -5.449 5.791 -6.161 1.00 0.00 H new ATOM 0 HA TYR A 57 -3.884 7.309 -8.118 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -3.552 4.529 -6.843 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -2.272 5.457 -7.599 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -3.200 8.230 -6.489 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -2.577 4.401 -4.648 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -2.733 9.344 -4.321 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -2.123 5.516 -2.481 1.00 0.00 H new ATOM 0 HH TYR A 57 -2.412 7.535 -1.320 1.00 0.00 H new ATOM 931 N GLY A 58 -5.582 4.769 -9.167 1.00 0.00 N ATOM 932 CA GLY A 58 -5.932 4.017 -10.408 1.00 0.00 C ATOM 933 C GLY A 58 -5.769 2.515 -10.164 1.00 0.00 C ATOM 934 O GLY A 58 -5.496 1.755 -11.073 1.00 0.00 O ATOM 0 H GLY A 58 -6.199 4.603 -8.372 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -6.958 4.238 -10.702 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -5.290 4.334 -11.230 1.00 0.00 H new ATOM 938 N ILE A 59 -5.931 2.083 -8.942 1.00 0.00 N ATOM 939 CA ILE A 59 -5.785 0.629 -8.628 1.00 0.00 C ATOM 940 C ILE A 59 -7.067 0.105 -7.975 1.00 0.00 C ATOM 941 O ILE A 59 -8.162 0.436 -8.388 1.00 0.00 O ATOM 942 CB ILE A 59 -4.600 0.533 -7.665 1.00 0.00 C ATOM 943 CG1 ILE A 59 -3.524 1.554 -8.040 1.00 0.00 C ATOM 944 CG2 ILE A 59 -3.999 -0.875 -7.744 1.00 0.00 C ATOM 945 CD1 ILE A 59 -2.421 1.511 -6.992 1.00 0.00 C ATOM 0 H ILE A 59 -6.159 2.676 -8.144 1.00 0.00 H new ATOM 0 HA ILE A 59 -5.615 0.029 -9.522 1.00 0.00 H new ATOM 0 HB ILE A 59 -4.950 0.739 -6.654 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -3.117 1.329 -9.026 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -3.955 2.554 -8.094 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -3.154 -0.949 -7.060 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -4.755 -1.609 -7.467 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -3.660 -1.069 -8.761 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -1.647 2.235 -7.248 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -2.838 1.756 -6.015 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -1.987 0.512 -6.961 1.00 0.00 H new ATOM 957 N GLY A 60 -6.945 -0.706 -6.960 1.00 0.00 N ATOM 958 CA GLY A 60 -8.159 -1.244 -6.286 1.00 0.00 C ATOM 959 C GLY A 60 -8.777 -2.365 -7.133 1.00 0.00 C ATOM 960 O GLY A 60 -9.841 -2.867 -6.825 1.00 0.00 O ATOM 0 H GLY A 60 -6.057 -1.019 -6.569 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.898 -1.625 -5.299 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -8.886 -0.446 -6.138 1.00 0.00 H new ATOM 964 N LYS A 61 -8.123 -2.762 -8.195 1.00 0.00 N ATOM 965 CA LYS A 61 -8.679 -3.848 -9.057 1.00 0.00 C ATOM 966 C LYS A 61 -7.813 -5.106 -8.954 1.00 0.00 C ATOM 967 O LYS A 61 -6.600 -4.967 -8.941 1.00 0.00 O ATOM 968 CB LYS A 61 -8.637 -3.285 -10.480 1.00 0.00 C ATOM 969 CG LYS A 61 -9.902 -3.702 -11.239 1.00 0.00 C ATOM 970 CD LYS A 61 -9.516 -4.416 -12.540 1.00 0.00 C ATOM 971 CE LYS A 61 -9.838 -5.908 -12.422 1.00 0.00 C ATOM 972 NZ LYS A 61 -9.354 -6.510 -13.696 1.00 0.00 N ATOM 973 OXT LYS A 61 -8.375 -6.187 -8.893 1.00 0.00 O ATOM 0 H LYS A 61 -7.228 -2.381 -8.502 1.00 0.00 H new ATOM 0 HA LYS A 61 -9.688 -4.133 -8.759 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -8.562 -2.198 -10.449 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -7.752 -3.651 -11.000 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -10.509 -4.361 -10.618 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -10.509 -2.825 -11.461 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -10.059 -3.982 -13.380 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -8.454 -4.278 -12.741 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -9.339 -6.352 -11.561 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -10.908 -6.071 -12.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -9.540 -7.533 -13.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -9.852 -6.073 -14.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -8.332 -6.345 -13.792 1.00 0.00 H new TER 987 LYS A 61