USER MOD reduce.3.24.130724 H: found=0, std=0, add=669, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 670 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 72 GLN : amide:sc= 0.139 K(o=0.28,f=-1.1) USER MOD Set 1.2: A 76 THR OG1 : rot 121:sc= 0.137 USER MOD Set 2.1: A 25 GLN : amide:sc= -1.91 K(o=-3.2,f=-2) USER MOD Set 2.2: A 37 MET CE :methyl 147:sc= -1.31 (180deg=-3.59!) USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot -33:sc= 1.16 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -0.316 K(o=-0.32,f=0.76) USER MOD Single : A 24 GLN : amide:sc= -2.19 K(o=-2.2,f=-3.6!) USER MOD Single : A 28 ASN : amide:sc= -0.297 X(o=-0.3,f=-0.35) USER MOD Single : A 33 SER OG : rot 180:sc= -0.242 USER MOD Single : A 39 THR OG1 : rot 82:sc= 1.04 USER MOD Single : A 45 MET CE :methyl -116:sc= -1.05 (180deg=-3.37!) USER MOD Single : A 46 ASN : amide:sc= 0.972 K(o=0.97,f=0) USER MOD Single : A 48 TYR OH : rot 130:sc= -0.221 USER MOD Single : A 50 ASN : amide:sc= -0.749 K(o=-0.75,f=0.79) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 15:sc= -1.5! USER MOD Single : A 54 GLN : amide:sc= -1.15 K(o=-1.1,f=-2.5!) USER MOD Single : A 55 GLN : amide:sc= -0.578 K(o=-0.58,f=-1.3) USER MOD Single : A 61 GLN : amide:sc= -1.47 K(o=-1.5,f=-0.15) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -1.23 K(o=-1.2,f=-0.13) USER MOD Single : A 75 ASN : amide:sc= 0.0352 X(o=0.035,f=0) USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 TYR OH : rot -150:sc= -1.34! USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 83:sc=0.000168 USER MOD ----------------------------------------------------------------- ATOM 63 N ALA A 6 -5.599 20.293 -5.417 1.00 0.00 N ATOM 64 CA ALA A 6 -4.350 20.095 -4.699 1.00 0.00 C ATOM 65 C ALA A 6 -4.381 18.777 -3.944 1.00 0.00 C ATOM 66 O ALA A 6 -3.402 18.031 -3.935 1.00 0.00 O ATOM 67 CB ALA A 6 -4.088 21.254 -3.750 1.00 0.00 C ATOM 0 HA ALA A 6 -3.535 20.060 -5.422 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -3.149 21.087 -3.222 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -4.025 22.182 -4.318 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -4.902 21.325 -3.029 1.00 0.00 H new ATOM 73 N ASN A 7 -5.519 18.487 -3.322 1.00 0.00 N ATOM 74 CA ASN A 7 -5.672 17.246 -2.581 1.00 0.00 C ATOM 75 C ASN A 7 -5.553 16.058 -3.526 1.00 0.00 C ATOM 76 O ASN A 7 -4.702 15.190 -3.338 1.00 0.00 O ATOM 77 CB ASN A 7 -7.020 17.213 -1.860 1.00 0.00 C ATOM 78 CG ASN A 7 -6.952 16.467 -0.542 1.00 0.00 C ATOM 79 OD1 ASN A 7 -6.344 15.402 -0.450 1.00 0.00 O ATOM 80 ND2 ASN A 7 -7.578 17.026 0.488 1.00 0.00 N ATOM 0 H ASN A 7 -6.341 19.091 -3.317 1.00 0.00 H new ATOM 0 HA ASN A 7 -4.880 17.187 -1.834 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -7.358 18.234 -1.680 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -7.762 16.741 -2.504 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -7.566 16.570 1.400 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -8.070 17.911 0.366 1.00 0.00 H new ATOM 87 N LYS A 8 -6.415 16.016 -4.542 1.00 0.00 N ATOM 88 CA LYS A 8 -6.401 14.925 -5.508 1.00 0.00 C ATOM 89 C LYS A 8 -5.033 14.771 -6.159 1.00 0.00 C ATOM 90 O LYS A 8 -4.634 13.665 -6.520 1.00 0.00 O ATOM 91 CB LYS A 8 -7.466 15.158 -6.583 1.00 0.00 C ATOM 92 CG LYS A 8 -8.805 14.510 -6.265 1.00 0.00 C ATOM 93 CD LYS A 8 -9.198 13.486 -7.319 1.00 0.00 C ATOM 94 CE LYS A 8 -9.542 14.151 -8.643 1.00 0.00 C ATOM 95 NZ LYS A 8 -9.019 13.380 -9.805 1.00 0.00 N ATOM 0 H LYS A 8 -7.129 16.724 -4.715 1.00 0.00 H new ATOM 0 HA LYS A 8 -6.624 14.003 -4.970 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -7.612 16.231 -6.711 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -7.101 14.770 -7.534 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -8.753 14.027 -5.289 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -9.575 15.279 -6.199 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -8.379 12.782 -7.467 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -10.054 12.910 -6.967 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -10.624 14.249 -8.730 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -9.129 15.159 -8.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -9.275 13.867 -10.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -7.984 13.308 -9.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -9.433 12.426 -9.803 1.00 0.00 H new ATOM 109 N ASP A 9 -4.308 15.873 -6.314 1.00 0.00 N ATOM 110 CA ASP A 9 -2.990 15.804 -6.926 1.00 0.00 C ATOM 111 C ASP A 9 -2.030 15.064 -6.010 1.00 0.00 C ATOM 112 O ASP A 9 -1.284 14.186 -6.451 1.00 0.00 O ATOM 113 CB ASP A 9 -2.457 17.205 -7.233 1.00 0.00 C ATOM 114 CG ASP A 9 -1.394 17.194 -8.313 1.00 0.00 C ATOM 115 OD1 ASP A 9 -0.216 16.942 -7.985 1.00 0.00 O ATOM 116 OD2 ASP A 9 -1.740 17.437 -9.489 1.00 0.00 O ATOM 0 H ASP A 9 -4.604 16.807 -6.030 1.00 0.00 H new ATOM 0 HA ASP A 9 -3.075 15.260 -7.867 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -3.282 17.844 -7.546 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -2.043 17.641 -6.324 1.00 0.00 H new ATOM 121 N LEU A 10 -2.056 15.409 -4.728 1.00 0.00 N ATOM 122 CA LEU A 10 -1.188 14.764 -3.759 1.00 0.00 C ATOM 123 C LEU A 10 -1.482 13.273 -3.705 1.00 0.00 C ATOM 124 O LEU A 10 -0.562 12.454 -3.693 1.00 0.00 O ATOM 125 CB LEU A 10 -1.376 15.387 -2.381 1.00 0.00 C ATOM 126 CG LEU A 10 -0.520 14.771 -1.280 1.00 0.00 C ATOM 127 CD1 LEU A 10 0.790 15.527 -1.139 1.00 0.00 C ATOM 128 CD2 LEU A 10 -1.280 14.763 0.033 1.00 0.00 C ATOM 0 H LEU A 10 -2.666 16.128 -4.340 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.153 14.908 -4.067 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -1.150 16.451 -2.445 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -2.425 15.300 -2.098 1.00 0.00 H new ATOM 0 HG LEU A 10 -0.290 13.741 -1.551 1.00 0.00 H new ATOM 0 HD11 LEU A 10 1.388 15.074 -0.349 1.00 0.00 H new ATOM 0 HD12 LEU A 10 1.338 15.483 -2.080 1.00 0.00 H new ATOM 0 HD13 LEU A 10 0.584 16.567 -0.887 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -0.658 14.321 0.811 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -1.537 15.785 0.311 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -2.193 14.177 -0.078 1.00 0.00 H new ATOM 140 N ILE A 11 -2.765 12.916 -3.692 1.00 0.00 N ATOM 141 CA ILE A 11 -3.135 11.512 -3.663 1.00 0.00 C ATOM 142 C ILE A 11 -2.564 10.817 -4.897 1.00 0.00 C ATOM 143 O ILE A 11 -1.861 9.813 -4.779 1.00 0.00 O ATOM 144 CB ILE A 11 -4.676 11.312 -3.551 1.00 0.00 C ATOM 145 CG1 ILE A 11 -4.984 10.147 -2.610 1.00 0.00 C ATOM 146 CG2 ILE A 11 -5.338 11.082 -4.905 1.00 0.00 C ATOM 147 CD1 ILE A 11 -6.455 10.007 -2.287 1.00 0.00 C ATOM 0 H ILE A 11 -3.549 13.569 -3.701 1.00 0.00 H new ATOM 0 HA ILE A 11 -2.709 11.058 -2.768 1.00 0.00 H new ATOM 0 HB ILE A 11 -5.092 12.235 -3.146 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.629 9.221 -3.063 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -4.427 10.282 -1.683 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -6.411 10.949 -4.767 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -5.159 11.943 -5.549 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -4.918 10.189 -5.368 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -6.601 9.161 -1.615 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -6.810 10.918 -1.806 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -7.015 9.841 -3.207 1.00 0.00 H new ATOM 159 N SER A 12 -2.866 11.353 -6.082 1.00 0.00 N ATOM 160 CA SER A 12 -2.373 10.775 -7.326 1.00 0.00 C ATOM 161 C SER A 12 -0.867 10.557 -7.263 1.00 0.00 C ATOM 162 O SER A 12 -0.346 9.610 -7.846 1.00 0.00 O ATOM 163 CB SER A 12 -2.720 11.682 -8.509 1.00 0.00 C ATOM 164 OG SER A 12 -1.986 12.893 -8.456 1.00 0.00 O ATOM 0 H SER A 12 -3.447 12.183 -6.202 1.00 0.00 H new ATOM 0 HA SER A 12 -2.857 9.808 -7.465 1.00 0.00 H new ATOM 0 HB2 SER A 12 -2.506 11.164 -9.444 1.00 0.00 H new ATOM 0 HB3 SER A 12 -3.788 11.900 -8.503 1.00 0.00 H new ATOM 0 HG SER A 12 -1.836 13.144 -7.521 1.00 0.00 H new ATOM 170 N ALA A 13 -0.171 11.437 -6.551 1.00 0.00 N ATOM 171 CA ALA A 13 1.275 11.316 -6.421 1.00 0.00 C ATOM 172 C ALA A 13 1.636 10.094 -5.588 1.00 0.00 C ATOM 173 O ALA A 13 2.477 9.287 -5.985 1.00 0.00 O ATOM 174 CB ALA A 13 1.868 12.579 -5.816 1.00 0.00 C ATOM 0 H ALA A 13 -0.579 12.233 -6.061 1.00 0.00 H new ATOM 0 HA ALA A 13 1.700 11.187 -7.416 1.00 0.00 H new ATOM 0 HB1 ALA A 13 2.949 12.467 -5.728 1.00 0.00 H new ATOM 0 HB2 ALA A 13 1.642 13.431 -6.458 1.00 0.00 H new ATOM 0 HB3 ALA A 13 1.439 12.746 -4.828 1.00 0.00 H new ATOM 180 N GLY A 14 0.976 9.943 -4.446 1.00 0.00 N ATOM 181 CA GLY A 14 1.227 8.791 -3.601 1.00 0.00 C ATOM 182 C GLY A 14 0.778 7.517 -4.284 1.00 0.00 C ATOM 183 O GLY A 14 1.343 6.445 -4.070 1.00 0.00 O ATOM 0 H GLY A 14 0.275 10.594 -4.091 1.00 0.00 H new ATOM 0 HA2 GLY A 14 2.290 8.729 -3.368 1.00 0.00 H new ATOM 0 HA3 GLY A 14 0.700 8.907 -2.654 1.00 0.00 H new ATOM 187 N LEU A 15 -0.227 7.659 -5.143 1.00 0.00 N ATOM 188 CA LEU A 15 -0.745 6.537 -5.904 1.00 0.00 C ATOM 189 C LEU A 15 0.282 6.133 -6.947 1.00 0.00 C ATOM 190 O LEU A 15 0.756 5.001 -6.961 1.00 0.00 O ATOM 191 CB LEU A 15 -2.075 6.897 -6.570 1.00 0.00 C ATOM 192 CG LEU A 15 -3.322 6.459 -5.800 1.00 0.00 C ATOM 193 CD1 LEU A 15 -4.474 7.416 -6.061 1.00 0.00 C ATOM 194 CD2 LEU A 15 -3.709 5.037 -6.179 1.00 0.00 C ATOM 0 H LEU A 15 -0.697 8.545 -5.327 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.930 5.700 -5.230 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.113 7.977 -6.710 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.101 6.446 -7.562 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.095 6.480 -4.734 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -5.352 7.088 -5.505 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.194 8.419 -5.739 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -4.703 7.428 -7.127 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -4.598 4.741 -5.622 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.918 4.989 -7.248 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.889 4.360 -5.939 1.00 0.00 H new ATOM 206 N LYS A 16 0.621 7.074 -7.822 1.00 0.00 N ATOM 207 CA LYS A 16 1.594 6.821 -8.875 1.00 0.00 C ATOM 208 C LYS A 16 2.894 6.302 -8.278 1.00 0.00 C ATOM 209 O LYS A 16 3.548 5.435 -8.853 1.00 0.00 O ATOM 210 CB LYS A 16 1.859 8.097 -9.677 1.00 0.00 C ATOM 211 CG LYS A 16 2.333 7.836 -11.097 1.00 0.00 C ATOM 212 CD LYS A 16 3.236 8.953 -11.595 1.00 0.00 C ATOM 213 CE LYS A 16 4.704 8.599 -11.428 1.00 0.00 C ATOM 214 NZ LYS A 16 5.577 9.805 -11.488 1.00 0.00 N ATOM 0 H LYS A 16 0.236 8.018 -7.822 1.00 0.00 H new ATOM 0 HA LYS A 16 1.187 6.065 -9.546 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.946 8.691 -9.711 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.608 8.694 -9.157 1.00 0.00 H new ATOM 0 HG2 LYS A 16 2.870 6.888 -11.134 1.00 0.00 H new ATOM 0 HG3 LYS A 16 1.472 7.741 -11.758 1.00 0.00 H new ATOM 0 HD2 LYS A 16 3.026 9.151 -12.646 1.00 0.00 H new ATOM 0 HD3 LYS A 16 3.017 9.870 -11.048 1.00 0.00 H new ATOM 0 HE2 LYS A 16 4.849 8.093 -10.473 1.00 0.00 H new ATOM 0 HE3 LYS A 16 4.999 7.898 -12.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 6.570 9.521 -11.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 5.458 10.274 -12.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 5.313 10.463 -10.727 1.00 0.00 H new ATOM 228 N GLU A 17 3.259 6.827 -7.114 1.00 0.00 N ATOM 229 CA GLU A 17 4.475 6.398 -6.440 1.00 0.00 C ATOM 230 C GLU A 17 4.386 4.922 -6.078 1.00 0.00 C ATOM 231 O GLU A 17 5.292 4.143 -6.372 1.00 0.00 O ATOM 232 CB GLU A 17 4.717 7.237 -5.182 1.00 0.00 C ATOM 233 CG GLU A 17 5.770 8.318 -5.368 1.00 0.00 C ATOM 234 CD GLU A 17 7.085 7.973 -4.696 1.00 0.00 C ATOM 235 OE1 GLU A 17 7.630 6.885 -4.982 1.00 0.00 O ATOM 236 OE2 GLU A 17 7.570 8.789 -3.885 1.00 0.00 O ATOM 0 H GLU A 17 2.732 7.547 -6.620 1.00 0.00 H new ATOM 0 HA GLU A 17 5.315 6.543 -7.120 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.779 7.703 -4.879 1.00 0.00 H new ATOM 0 HB3 GLU A 17 5.023 6.579 -4.369 1.00 0.00 H new ATOM 0 HG2 GLU A 17 5.941 8.474 -6.433 1.00 0.00 H new ATOM 0 HG3 GLU A 17 5.395 9.258 -4.964 1.00 0.00 H new ATOM 243 N PHE A 18 3.283 4.541 -5.442 1.00 0.00 N ATOM 244 CA PHE A 18 3.076 3.152 -5.049 1.00 0.00 C ATOM 245 C PHE A 18 2.918 2.269 -6.282 1.00 0.00 C ATOM 246 O PHE A 18 3.386 1.134 -6.307 1.00 0.00 O ATOM 247 CB PHE A 18 1.848 3.016 -4.141 1.00 0.00 C ATOM 248 CG PHE A 18 1.840 1.766 -3.293 1.00 0.00 C ATOM 249 CD1 PHE A 18 2.831 0.798 -3.423 1.00 0.00 C ATOM 250 CD2 PHE A 18 0.832 1.560 -2.363 1.00 0.00 C ATOM 251 CE1 PHE A 18 2.813 -0.343 -2.643 1.00 0.00 C ATOM 252 CE2 PHE A 18 0.812 0.420 -1.582 1.00 0.00 C ATOM 253 CZ PHE A 18 1.802 -0.533 -1.721 1.00 0.00 C ATOM 0 H PHE A 18 2.522 5.171 -5.189 1.00 0.00 H new ATOM 0 HA PHE A 18 3.953 2.825 -4.490 1.00 0.00 H new ATOM 0 HB2 PHE A 18 1.796 3.886 -3.486 1.00 0.00 H new ATOM 0 HB3 PHE A 18 0.950 3.028 -4.759 1.00 0.00 H new ATOM 0 HD1 PHE A 18 3.624 0.940 -4.142 1.00 0.00 H new ATOM 0 HD2 PHE A 18 0.053 2.299 -2.248 1.00 0.00 H new ATOM 0 HE1 PHE A 18 3.589 -1.086 -2.754 1.00 0.00 H new ATOM 0 HE2 PHE A 18 0.021 0.274 -0.862 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.786 -1.424 -1.111 1.00 0.00 H new ATOM 263 N SER A 19 2.268 2.802 -7.311 1.00 0.00 N ATOM 264 CA SER A 19 2.070 2.061 -8.549 1.00 0.00 C ATOM 265 C SER A 19 3.419 1.776 -9.197 1.00 0.00 C ATOM 266 O SER A 19 3.740 0.630 -9.517 1.00 0.00 O ATOM 267 CB SER A 19 1.177 2.852 -9.508 1.00 0.00 C ATOM 268 OG SER A 19 -0.131 2.306 -9.557 1.00 0.00 O ATOM 0 H SER A 19 1.871 3.741 -7.312 1.00 0.00 H new ATOM 0 HA SER A 19 1.576 1.116 -8.322 1.00 0.00 H new ATOM 0 HB2 SER A 19 1.128 3.893 -9.189 1.00 0.00 H new ATOM 0 HB3 SER A 19 1.615 2.845 -10.506 1.00 0.00 H new ATOM 0 HG SER A 19 -0.681 2.831 -10.175 1.00 0.00 H new ATOM 274 N VAL A 20 4.219 2.826 -9.360 1.00 0.00 N ATOM 275 CA VAL A 20 5.547 2.688 -9.937 1.00 0.00 C ATOM 276 C VAL A 20 6.411 1.838 -9.019 1.00 0.00 C ATOM 277 O VAL A 20 7.230 1.040 -9.475 1.00 0.00 O ATOM 278 CB VAL A 20 6.214 4.062 -10.162 1.00 0.00 C ATOM 279 CG1 VAL A 20 7.669 3.902 -10.580 1.00 0.00 C ATOM 280 CG2 VAL A 20 5.442 4.855 -11.204 1.00 0.00 C ATOM 0 H VAL A 20 3.968 3.780 -9.100 1.00 0.00 H new ATOM 0 HA VAL A 20 5.448 2.204 -10.909 1.00 0.00 H new ATOM 0 HB VAL A 20 6.196 4.610 -9.220 1.00 0.00 H new ATOM 0 HG11 VAL A 20 8.114 4.885 -10.732 1.00 0.00 H new ATOM 0 HG12 VAL A 20 8.216 3.373 -9.800 1.00 0.00 H new ATOM 0 HG13 VAL A 20 7.720 3.333 -11.508 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.922 5.822 -11.354 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.431 4.305 -12.145 1.00 0.00 H new ATOM 0 HG23 VAL A 20 4.419 5.007 -10.861 1.00 0.00 H new ATOM 290 N LEU A 21 6.196 1.993 -7.717 1.00 0.00 N ATOM 291 CA LEU A 21 6.927 1.214 -6.732 1.00 0.00 C ATOM 292 C LEU A 21 6.572 -0.255 -6.905 1.00 0.00 C ATOM 293 O LEU A 21 7.420 -1.137 -6.776 1.00 0.00 O ATOM 294 CB LEU A 21 6.585 1.686 -5.317 1.00 0.00 C ATOM 295 CG LEU A 21 7.291 0.929 -4.193 1.00 0.00 C ATOM 296 CD1 LEU A 21 8.777 1.255 -4.182 1.00 0.00 C ATOM 297 CD2 LEU A 21 6.660 1.264 -2.851 1.00 0.00 C ATOM 0 H LEU A 21 5.523 2.650 -7.323 1.00 0.00 H new ATOM 0 HA LEU A 21 7.998 1.349 -6.880 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.834 2.744 -5.234 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.508 1.599 -5.172 1.00 0.00 H new ATOM 0 HG LEU A 21 7.176 -0.140 -4.370 1.00 0.00 H new ATOM 0 HD11 LEU A 21 9.264 0.707 -3.375 1.00 0.00 H new ATOM 0 HD12 LEU A 21 9.220 0.967 -5.135 1.00 0.00 H new ATOM 0 HD13 LEU A 21 8.914 2.325 -4.028 1.00 0.00 H new ATOM 0 HD21 LEU A 21 7.174 0.717 -2.061 1.00 0.00 H new ATOM 0 HD22 LEU A 21 6.745 2.335 -2.666 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.608 0.981 -2.863 1.00 0.00 H new ATOM 309 N LEU A 22 5.304 -0.497 -7.232 1.00 0.00 N ATOM 310 CA LEU A 22 4.817 -1.846 -7.464 1.00 0.00 C ATOM 311 C LEU A 22 5.299 -2.342 -8.831 1.00 0.00 C ATOM 312 O LEU A 22 5.388 -3.546 -9.066 1.00 0.00 O ATOM 313 CB LEU A 22 3.288 -1.907 -7.354 1.00 0.00 C ATOM 314 CG LEU A 22 2.743 -1.684 -5.939 1.00 0.00 C ATOM 315 CD1 LEU A 22 1.286 -1.246 -5.978 1.00 0.00 C ATOM 316 CD2 LEU A 22 2.896 -2.947 -5.106 1.00 0.00 C ATOM 0 H LEU A 22 4.597 0.230 -7.341 1.00 0.00 H new ATOM 0 HA LEU A 22 5.221 -2.504 -6.694 1.00 0.00 H new ATOM 0 HB2 LEU A 22 2.858 -1.156 -8.018 1.00 0.00 H new ATOM 0 HB3 LEU A 22 2.949 -2.880 -7.711 1.00 0.00 H new ATOM 0 HG LEU A 22 3.323 -0.887 -5.474 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.924 -1.095 -4.961 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.201 -0.313 -6.536 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.688 -2.016 -6.465 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.504 -2.772 -4.104 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.343 -3.761 -5.575 1.00 0.00 H new ATOM 0 HD23 LEU A 22 3.951 -3.215 -5.041 1.00 0.00 H new ATOM 328 N ASN A 23 5.635 -1.403 -9.724 1.00 0.00 N ATOM 329 CA ASN A 23 6.142 -1.755 -11.051 1.00 0.00 C ATOM 330 C ASN A 23 7.536 -2.376 -10.928 1.00 0.00 C ATOM 331 O ASN A 23 7.928 -3.223 -11.731 1.00 0.00 O ATOM 332 CB ASN A 23 6.181 -0.524 -11.959 1.00 0.00 C ATOM 333 CG ASN A 23 4.863 -0.294 -12.673 1.00 0.00 C ATOM 334 OD1 ASN A 23 3.931 0.280 -12.109 1.00 0.00 O ATOM 335 ND2 ASN A 23 4.778 -0.745 -13.918 1.00 0.00 N ATOM 0 H ASN A 23 5.565 -0.400 -9.551 1.00 0.00 H new ATOM 0 HA ASN A 23 5.469 -2.485 -11.500 1.00 0.00 H new ATOM 0 HB2 ASN A 23 6.428 0.356 -11.365 1.00 0.00 H new ATOM 0 HB3 ASN A 23 6.975 -0.644 -12.696 1.00 0.00 H new ATOM 0 HD21 ASN A 23 3.915 -0.622 -14.447 1.00 0.00 H new ATOM 0 HD22 ASN A 23 5.576 -1.215 -14.346 1.00 0.00 H new ATOM 342 N GLN A 24 8.258 -1.975 -9.879 1.00 0.00 N ATOM 343 CA GLN A 24 9.593 -2.507 -9.581 1.00 0.00 C ATOM 344 C GLN A 24 9.450 -3.846 -8.840 1.00 0.00 C ATOM 345 O GLN A 24 10.330 -4.275 -8.096 1.00 0.00 O ATOM 346 CB GLN A 24 10.390 -1.506 -8.744 1.00 0.00 C ATOM 347 CG GLN A 24 10.919 -0.329 -9.554 1.00 0.00 C ATOM 348 CD GLN A 24 10.362 1.003 -9.092 1.00 0.00 C ATOM 349 OE1 GLN A 24 9.986 1.163 -7.930 1.00 0.00 O ATOM 350 NE2 GLN A 24 10.310 1.969 -10.002 1.00 0.00 N ATOM 0 H GLN A 24 7.936 -1.274 -9.212 1.00 0.00 H new ATOM 0 HA GLN A 24 10.135 -2.671 -10.512 1.00 0.00 H new ATOM 0 HB2 GLN A 24 9.757 -1.130 -7.940 1.00 0.00 H new ATOM 0 HB3 GLN A 24 11.228 -2.021 -8.275 1.00 0.00 H new ATOM 0 HG2 GLN A 24 12.007 -0.306 -9.484 1.00 0.00 H new ATOM 0 HG3 GLN A 24 10.670 -0.476 -10.605 1.00 0.00 H new ATOM 0 HE21 GLN A 24 10.633 1.791 -10.953 1.00 0.00 H new ATOM 0 HE22 GLN A 24 9.948 2.888 -9.750 1.00 0.00 H new ATOM 359 N GLN A 25 8.301 -4.471 -9.071 1.00 0.00 N ATOM 360 CA GLN A 25 7.970 -5.745 -8.454 1.00 0.00 C ATOM 361 C GLN A 25 8.004 -6.895 -9.445 1.00 0.00 C ATOM 362 O GLN A 25 7.093 -7.076 -10.253 1.00 0.00 O ATOM 363 CB GLN A 25 6.618 -5.665 -7.761 1.00 0.00 C ATOM 364 CG GLN A 25 6.560 -4.543 -6.742 1.00 0.00 C ATOM 365 CD GLN A 25 7.691 -4.619 -5.731 1.00 0.00 C ATOM 366 OE1 GLN A 25 8.333 -3.615 -5.426 1.00 0.00 O ATOM 367 NE2 GLN A 25 7.939 -5.814 -5.209 1.00 0.00 N ATOM 0 H GLN A 25 7.576 -4.108 -9.690 1.00 0.00 H new ATOM 0 HA GLN A 25 8.737 -5.951 -7.707 1.00 0.00 H new ATOM 0 HB2 GLN A 25 5.838 -5.516 -8.507 1.00 0.00 H new ATOM 0 HB3 GLN A 25 6.409 -6.614 -7.266 1.00 0.00 H new ATOM 0 HG2 GLN A 25 6.602 -3.584 -7.259 1.00 0.00 H new ATOM 0 HG3 GLN A 25 5.605 -4.581 -6.218 1.00 0.00 H new ATOM 0 HE21 GLN A 25 7.381 -6.620 -5.491 1.00 0.00 H new ATOM 0 HE22 GLN A 25 8.688 -5.927 -4.526 1.00 0.00 H new ATOM 376 N VAL A 26 9.062 -7.684 -9.339 1.00 0.00 N ATOM 377 CA VAL A 26 9.252 -8.853 -10.178 1.00 0.00 C ATOM 378 C VAL A 26 9.370 -10.078 -9.286 1.00 0.00 C ATOM 379 O VAL A 26 10.067 -10.047 -8.272 1.00 0.00 O ATOM 380 CB VAL A 26 10.513 -8.726 -11.056 1.00 0.00 C ATOM 381 CG1 VAL A 26 11.740 -8.455 -10.196 1.00 0.00 C ATOM 382 CG2 VAL A 26 10.710 -9.977 -11.902 1.00 0.00 C ATOM 0 H VAL A 26 9.814 -7.530 -8.667 1.00 0.00 H new ATOM 0 HA VAL A 26 8.395 -8.945 -10.845 1.00 0.00 H new ATOM 0 HB VAL A 26 10.376 -7.881 -11.730 1.00 0.00 H new ATOM 0 HG11 VAL A 26 12.620 -8.369 -10.834 1.00 0.00 H new ATOM 0 HG12 VAL A 26 11.599 -7.526 -9.644 1.00 0.00 H new ATOM 0 HG13 VAL A 26 11.881 -9.276 -9.494 1.00 0.00 H new ATOM 0 HG21 VAL A 26 11.605 -9.865 -12.514 1.00 0.00 H new ATOM 0 HG22 VAL A 26 10.822 -10.843 -11.250 1.00 0.00 H new ATOM 0 HG23 VAL A 26 9.844 -10.119 -12.549 1.00 0.00 H new ATOM 392 N PHE A 27 8.673 -11.145 -9.639 1.00 0.00 N ATOM 393 CA PHE A 27 8.705 -12.353 -8.828 1.00 0.00 C ATOM 394 C PHE A 27 9.394 -13.503 -9.550 1.00 0.00 C ATOM 395 O PHE A 27 8.742 -14.356 -10.152 1.00 0.00 O ATOM 396 CB PHE A 27 7.287 -12.753 -8.423 1.00 0.00 C ATOM 397 CG PHE A 27 6.551 -11.684 -7.659 1.00 0.00 C ATOM 398 CD1 PHE A 27 7.220 -10.865 -6.759 1.00 0.00 C ATOM 399 CD2 PHE A 27 5.190 -11.499 -7.840 1.00 0.00 C ATOM 400 CE1 PHE A 27 6.543 -9.885 -6.057 1.00 0.00 C ATOM 401 CE2 PHE A 27 4.509 -10.521 -7.140 1.00 0.00 C ATOM 402 CZ PHE A 27 5.186 -9.713 -6.249 1.00 0.00 C ATOM 0 H PHE A 27 8.085 -11.201 -10.470 1.00 0.00 H new ATOM 0 HA PHE A 27 9.286 -12.134 -7.932 1.00 0.00 H new ATOM 0 HB2 PHE A 27 6.719 -13.002 -9.319 1.00 0.00 H new ATOM 0 HB3 PHE A 27 7.334 -13.656 -7.814 1.00 0.00 H new ATOM 0 HD1 PHE A 27 8.281 -10.995 -6.606 1.00 0.00 H new ATOM 0 HD2 PHE A 27 4.654 -12.127 -8.537 1.00 0.00 H new ATOM 0 HE1 PHE A 27 7.075 -9.255 -5.359 1.00 0.00 H new ATOM 0 HE2 PHE A 27 3.448 -10.389 -7.290 1.00 0.00 H new ATOM 0 HZ PHE A 27 4.655 -8.947 -5.703 1.00 0.00 H new ATOM 412 N ASN A 28 10.719 -13.533 -9.455 1.00 0.00 N ATOM 413 CA ASN A 28 11.509 -14.593 -10.064 1.00 0.00 C ATOM 414 C ASN A 28 11.921 -15.588 -8.981 1.00 0.00 C ATOM 415 O ASN A 28 11.081 -16.339 -8.485 1.00 0.00 O ATOM 416 CB ASN A 28 12.732 -14.010 -10.781 1.00 0.00 C ATOM 417 CG ASN A 28 12.389 -13.453 -12.149 1.00 0.00 C ATOM 418 OD1 ASN A 28 12.695 -12.301 -12.458 1.00 0.00 O ATOM 419 ND2 ASN A 28 11.749 -14.271 -12.977 1.00 0.00 N ATOM 0 H ASN A 28 11.269 -12.831 -8.959 1.00 0.00 H new ATOM 0 HA ASN A 28 10.912 -15.113 -10.814 1.00 0.00 H new ATOM 0 HB2 ASN A 28 13.166 -13.220 -10.169 1.00 0.00 H new ATOM 0 HB3 ASN A 28 13.491 -14.785 -10.887 1.00 0.00 H new ATOM 0 HD21 ASN A 28 11.491 -13.952 -13.911 1.00 0.00 H new ATOM 0 HD22 ASN A 28 11.515 -15.218 -12.679 1.00 0.00 H new ATOM 426 N ASP A 29 13.195 -15.591 -8.587 1.00 0.00 N ATOM 427 CA ASP A 29 13.658 -16.494 -7.540 1.00 0.00 C ATOM 428 C ASP A 29 13.332 -15.906 -6.167 1.00 0.00 C ATOM 429 O ASP A 29 12.983 -14.732 -6.064 1.00 0.00 O ATOM 430 CB ASP A 29 15.171 -16.720 -7.671 1.00 0.00 C ATOM 431 CG ASP A 29 15.938 -15.430 -7.891 1.00 0.00 C ATOM 432 OD1 ASP A 29 15.745 -14.796 -8.948 1.00 0.00 O ATOM 433 OD2 ASP A 29 16.733 -15.054 -7.004 1.00 0.00 O ATOM 0 H ASP A 29 13.917 -14.983 -8.975 1.00 0.00 H new ATOM 0 HA ASP A 29 13.149 -17.452 -7.646 1.00 0.00 H new ATOM 0 HB2 ASP A 29 15.541 -17.209 -6.770 1.00 0.00 H new ATOM 0 HB3 ASP A 29 15.362 -17.398 -8.503 1.00 0.00 H new ATOM 438 N PRO A 30 13.437 -16.714 -5.094 1.00 0.00 N ATOM 439 CA PRO A 30 13.155 -16.288 -3.727 1.00 0.00 C ATOM 440 C PRO A 30 13.359 -14.789 -3.493 1.00 0.00 C ATOM 441 O PRO A 30 12.451 -14.096 -3.033 1.00 0.00 O ATOM 442 CB PRO A 30 14.170 -17.102 -2.924 1.00 0.00 C ATOM 443 CG PRO A 30 14.452 -18.331 -3.744 1.00 0.00 C ATOM 444 CD PRO A 30 13.838 -18.125 -5.111 1.00 0.00 C ATOM 0 HA PRO A 30 12.112 -16.451 -3.455 1.00 0.00 H new ATOM 0 HB2 PRO A 30 15.081 -16.530 -2.752 1.00 0.00 H new ATOM 0 HB3 PRO A 30 13.771 -17.368 -1.945 1.00 0.00 H new ATOM 0 HG2 PRO A 30 15.526 -18.496 -3.828 1.00 0.00 H new ATOM 0 HG3 PRO A 30 14.031 -19.215 -3.265 1.00 0.00 H new ATOM 0 HD2 PRO A 30 14.553 -18.330 -5.908 1.00 0.00 H new ATOM 0 HD3 PRO A 30 12.984 -18.784 -5.272 1.00 0.00 H new ATOM 452 N LEU A 31 14.556 -14.296 -3.801 1.00 0.00 N ATOM 453 CA LEU A 31 14.877 -12.883 -3.612 1.00 0.00 C ATOM 454 C LEU A 31 14.707 -12.488 -2.135 1.00 0.00 C ATOM 455 O LEU A 31 15.214 -13.179 -1.252 1.00 0.00 O ATOM 456 CB LEU A 31 14.010 -12.011 -4.531 1.00 0.00 C ATOM 457 CG LEU A 31 14.220 -12.238 -6.030 1.00 0.00 C ATOM 458 CD1 LEU A 31 12.905 -12.099 -6.780 1.00 0.00 C ATOM 459 CD2 LEU A 31 15.251 -11.261 -6.575 1.00 0.00 C ATOM 0 H LEU A 31 15.320 -14.854 -4.183 1.00 0.00 H new ATOM 0 HA LEU A 31 15.920 -12.717 -3.883 1.00 0.00 H new ATOM 0 HB2 LEU A 31 12.961 -12.193 -4.295 1.00 0.00 H new ATOM 0 HB3 LEU A 31 14.210 -10.963 -4.307 1.00 0.00 H new ATOM 0 HG LEU A 31 14.593 -13.252 -6.177 1.00 0.00 H new ATOM 0 HD11 LEU A 31 13.074 -12.264 -7.844 1.00 0.00 H new ATOM 0 HD12 LEU A 31 12.194 -12.836 -6.407 1.00 0.00 H new ATOM 0 HD13 LEU A 31 12.503 -11.097 -6.627 1.00 0.00 H new ATOM 0 HD21 LEU A 31 15.389 -11.435 -7.642 1.00 0.00 H new ATOM 0 HD22 LEU A 31 14.904 -10.240 -6.416 1.00 0.00 H new ATOM 0 HD23 LEU A 31 16.199 -11.407 -6.058 1.00 0.00 H new ATOM 471 N VAL A 32 13.999 -11.389 -1.860 1.00 0.00 N ATOM 472 CA VAL A 32 13.789 -10.951 -0.480 1.00 0.00 C ATOM 473 C VAL A 32 12.772 -11.855 0.215 1.00 0.00 C ATOM 474 O VAL A 32 11.980 -12.533 -0.440 1.00 0.00 O ATOM 475 CB VAL A 32 13.353 -9.452 -0.383 1.00 0.00 C ATOM 476 CG1 VAL A 32 12.999 -8.872 -1.746 1.00 0.00 C ATOM 477 CG2 VAL A 32 12.193 -9.261 0.590 1.00 0.00 C ATOM 0 H VAL A 32 13.567 -10.793 -2.566 1.00 0.00 H new ATOM 0 HA VAL A 32 14.748 -11.032 0.031 1.00 0.00 H new ATOM 0 HB VAL A 32 14.214 -8.906 0.002 1.00 0.00 H new ATOM 0 HG11 VAL A 32 12.702 -7.829 -1.632 1.00 0.00 H new ATOM 0 HG12 VAL A 32 13.866 -8.932 -2.403 1.00 0.00 H new ATOM 0 HG13 VAL A 32 12.175 -9.439 -2.180 1.00 0.00 H new ATOM 0 HG21 VAL A 32 11.920 -8.206 0.629 1.00 0.00 H new ATOM 0 HG22 VAL A 32 11.336 -9.845 0.254 1.00 0.00 H new ATOM 0 HG23 VAL A 32 12.493 -9.595 1.583 1.00 0.00 H new ATOM 487 N SER A 33 12.809 -11.868 1.544 1.00 0.00 N ATOM 488 CA SER A 33 11.900 -12.698 2.328 1.00 0.00 C ATOM 489 C SER A 33 10.564 -11.999 2.559 1.00 0.00 C ATOM 490 O SER A 33 10.381 -10.843 2.179 1.00 0.00 O ATOM 491 CB SER A 33 12.536 -13.058 3.670 1.00 0.00 C ATOM 492 OG SER A 33 11.695 -13.916 4.421 1.00 0.00 O ATOM 0 H SER A 33 13.459 -11.313 2.101 1.00 0.00 H new ATOM 0 HA SER A 33 11.712 -13.610 1.761 1.00 0.00 H new ATOM 0 HB2 SER A 33 13.498 -13.543 3.501 1.00 0.00 H new ATOM 0 HB3 SER A 33 12.733 -12.149 4.238 1.00 0.00 H new ATOM 0 HG SER A 33 12.126 -14.132 5.274 1.00 0.00 H new ATOM 498 N GLU A 34 9.636 -12.714 3.189 1.00 0.00 N ATOM 499 CA GLU A 34 8.315 -12.170 3.480 1.00 0.00 C ATOM 500 C GLU A 34 8.397 -11.119 4.581 1.00 0.00 C ATOM 501 O GLU A 34 7.640 -10.155 4.585 1.00 0.00 O ATOM 502 CB GLU A 34 7.358 -13.289 3.896 1.00 0.00 C ATOM 503 CG GLU A 34 6.864 -14.131 2.732 1.00 0.00 C ATOM 504 CD GLU A 34 6.140 -15.384 3.186 1.00 0.00 C ATOM 505 OE1 GLU A 34 5.311 -15.287 4.115 1.00 0.00 O ATOM 506 OE2 GLU A 34 6.400 -16.462 2.610 1.00 0.00 O ATOM 0 H GLU A 34 9.776 -13.673 3.508 1.00 0.00 H new ATOM 0 HA GLU A 34 7.934 -11.697 2.575 1.00 0.00 H new ATOM 0 HB2 GLU A 34 7.860 -13.937 4.615 1.00 0.00 H new ATOM 0 HB3 GLU A 34 6.500 -12.851 4.407 1.00 0.00 H new ATOM 0 HG2 GLU A 34 6.195 -13.533 2.114 1.00 0.00 H new ATOM 0 HG3 GLU A 34 7.711 -14.412 2.106 1.00 0.00 H new ATOM 513 N GLU A 35 9.315 -11.323 5.517 1.00 0.00 N ATOM 514 CA GLU A 35 9.494 -10.394 6.629 1.00 0.00 C ATOM 515 C GLU A 35 10.071 -9.066 6.144 1.00 0.00 C ATOM 516 O GLU A 35 9.654 -8.000 6.595 1.00 0.00 O ATOM 517 CB GLU A 35 10.408 -11.005 7.692 1.00 0.00 C ATOM 518 CG GLU A 35 10.412 -10.240 9.005 1.00 0.00 C ATOM 519 CD GLU A 35 11.706 -10.415 9.777 1.00 0.00 C ATOM 520 OE1 GLU A 35 12.706 -9.762 9.416 1.00 0.00 O ATOM 521 OE2 GLU A 35 11.717 -11.206 10.744 1.00 0.00 O ATOM 0 H GLU A 35 9.948 -12.123 5.530 1.00 0.00 H new ATOM 0 HA GLU A 35 8.515 -10.203 7.070 1.00 0.00 H new ATOM 0 HB2 GLU A 35 10.096 -12.032 7.881 1.00 0.00 H new ATOM 0 HB3 GLU A 35 11.425 -11.048 7.303 1.00 0.00 H new ATOM 0 HG2 GLU A 35 10.253 -9.180 8.805 1.00 0.00 H new ATOM 0 HG3 GLU A 35 9.578 -10.577 9.620 1.00 0.00 H new ATOM 528 N ASP A 36 11.026 -9.135 5.221 1.00 0.00 N ATOM 529 CA ASP A 36 11.650 -7.929 4.678 1.00 0.00 C ATOM 530 C ASP A 36 10.681 -7.200 3.752 1.00 0.00 C ATOM 531 O ASP A 36 10.644 -5.970 3.709 1.00 0.00 O ATOM 532 CB ASP A 36 12.929 -8.287 3.922 1.00 0.00 C ATOM 533 CG ASP A 36 14.154 -8.259 4.815 1.00 0.00 C ATOM 534 OD1 ASP A 36 14.741 -7.170 4.986 1.00 0.00 O ATOM 535 OD2 ASP A 36 14.528 -9.328 5.344 1.00 0.00 O ATOM 0 H ASP A 36 11.384 -10.008 4.834 1.00 0.00 H new ATOM 0 HA ASP A 36 11.905 -7.269 5.507 1.00 0.00 H new ATOM 0 HB2 ASP A 36 12.824 -9.280 3.485 1.00 0.00 H new ATOM 0 HB3 ASP A 36 13.068 -7.588 3.097 1.00 0.00 H new ATOM 540 N MET A 37 9.879 -7.977 3.037 1.00 0.00 N ATOM 541 CA MET A 37 8.884 -7.420 2.130 1.00 0.00 C ATOM 542 C MET A 37 7.743 -6.820 2.937 1.00 0.00 C ATOM 543 O MET A 37 7.341 -5.675 2.728 1.00 0.00 O ATOM 544 CB MET A 37 8.357 -8.501 1.185 1.00 0.00 C ATOM 545 CG MET A 37 8.110 -8.009 -0.230 1.00 0.00 C ATOM 546 SD MET A 37 9.598 -7.350 -1.005 1.00 0.00 S ATOM 547 CE MET A 37 9.025 -5.727 -1.501 1.00 0.00 C ATOM 0 H MET A 37 9.898 -8.996 3.067 1.00 0.00 H new ATOM 0 HA MET A 37 9.347 -6.639 1.528 1.00 0.00 H new ATOM 0 HB2 MET A 37 9.071 -9.324 1.154 1.00 0.00 H new ATOM 0 HB3 MET A 37 7.427 -8.901 1.588 1.00 0.00 H new ATOM 0 HG2 MET A 37 7.724 -8.830 -0.834 1.00 0.00 H new ATOM 0 HG3 MET A 37 7.341 -7.237 -0.213 1.00 0.00 H new ATOM 0 HE1 MET A 37 9.849 -5.016 -1.441 1.00 0.00 H new ATOM 0 HE2 MET A 37 8.656 -5.769 -2.526 1.00 0.00 H new ATOM 0 HE3 MET A 37 8.221 -5.407 -0.838 1.00 0.00 H new ATOM 557 N VAL A 38 7.239 -7.615 3.869 1.00 0.00 N ATOM 558 CA VAL A 38 6.154 -7.206 4.743 1.00 0.00 C ATOM 559 C VAL A 38 6.545 -5.976 5.559 1.00 0.00 C ATOM 560 O VAL A 38 5.714 -5.104 5.813 1.00 0.00 O ATOM 561 CB VAL A 38 5.764 -8.365 5.692 1.00 0.00 C ATOM 562 CG1 VAL A 38 5.002 -7.866 6.912 1.00 0.00 C ATOM 563 CG2 VAL A 38 4.952 -9.410 4.942 1.00 0.00 C ATOM 0 H VAL A 38 7.573 -8.564 4.039 1.00 0.00 H new ATOM 0 HA VAL A 38 5.297 -6.949 4.121 1.00 0.00 H new ATOM 0 HB VAL A 38 6.685 -8.824 6.051 1.00 0.00 H new ATOM 0 HG11 VAL A 38 4.747 -8.711 7.552 1.00 0.00 H new ATOM 0 HG12 VAL A 38 5.624 -7.164 7.468 1.00 0.00 H new ATOM 0 HG13 VAL A 38 4.089 -7.365 6.591 1.00 0.00 H new ATOM 0 HG21 VAL A 38 4.684 -10.219 5.621 1.00 0.00 H new ATOM 0 HG22 VAL A 38 4.045 -8.952 4.548 1.00 0.00 H new ATOM 0 HG23 VAL A 38 5.544 -9.809 4.118 1.00 0.00 H new ATOM 573 N THR A 39 7.810 -5.906 5.971 1.00 0.00 N ATOM 574 CA THR A 39 8.290 -4.776 6.758 1.00 0.00 C ATOM 575 C THR A 39 8.392 -3.516 5.905 1.00 0.00 C ATOM 576 O THR A 39 7.998 -2.433 6.337 1.00 0.00 O ATOM 577 CB THR A 39 9.650 -5.104 7.380 1.00 0.00 C ATOM 578 OG1 THR A 39 9.544 -6.202 8.268 1.00 0.00 O ATOM 579 CG2 THR A 39 10.252 -3.949 8.154 1.00 0.00 C ATOM 0 H THR A 39 8.516 -6.615 5.773 1.00 0.00 H new ATOM 0 HA THR A 39 7.570 -4.589 7.555 1.00 0.00 H new ATOM 0 HB THR A 39 10.302 -5.336 6.537 1.00 0.00 H new ATOM 0 HG1 THR A 39 9.569 -7.039 7.758 1.00 0.00 H new ATOM 0 HG21 THR A 39 11.214 -4.250 8.568 1.00 0.00 H new ATOM 0 HG22 THR A 39 10.394 -3.099 7.487 1.00 0.00 H new ATOM 0 HG23 THR A 39 9.581 -3.666 8.965 1.00 0.00 H new ATOM 587 N VAL A 40 8.909 -3.659 4.686 1.00 0.00 N ATOM 588 CA VAL A 40 9.037 -2.517 3.788 1.00 0.00 C ATOM 589 C VAL A 40 7.658 -2.012 3.382 1.00 0.00 C ATOM 590 O VAL A 40 7.434 -0.807 3.259 1.00 0.00 O ATOM 591 CB VAL A 40 9.845 -2.874 2.522 1.00 0.00 C ATOM 592 CG1 VAL A 40 10.012 -1.655 1.627 1.00 0.00 C ATOM 593 CG2 VAL A 40 11.200 -3.452 2.899 1.00 0.00 C ATOM 0 H VAL A 40 9.242 -4.544 4.302 1.00 0.00 H new ATOM 0 HA VAL A 40 9.574 -1.736 4.326 1.00 0.00 H new ATOM 0 HB VAL A 40 9.291 -3.630 1.966 1.00 0.00 H new ATOM 0 HG11 VAL A 40 10.584 -1.930 0.741 1.00 0.00 H new ATOM 0 HG12 VAL A 40 9.031 -1.288 1.326 1.00 0.00 H new ATOM 0 HG13 VAL A 40 10.541 -0.873 2.172 1.00 0.00 H new ATOM 0 HG21 VAL A 40 11.755 -3.698 1.994 1.00 0.00 H new ATOM 0 HG22 VAL A 40 11.759 -2.719 3.480 1.00 0.00 H new ATOM 0 HG23 VAL A 40 11.058 -4.354 3.494 1.00 0.00 H new ATOM 603 N VAL A 41 6.734 -2.947 3.188 1.00 0.00 N ATOM 604 CA VAL A 41 5.369 -2.611 2.808 1.00 0.00 C ATOM 605 C VAL A 41 4.650 -1.900 3.953 1.00 0.00 C ATOM 606 O VAL A 41 3.971 -0.896 3.744 1.00 0.00 O ATOM 607 CB VAL A 41 4.581 -3.875 2.407 1.00 0.00 C ATOM 608 CG1 VAL A 41 3.133 -3.538 2.086 1.00 0.00 C ATOM 609 CG2 VAL A 41 5.249 -4.563 1.225 1.00 0.00 C ATOM 0 H VAL A 41 6.908 -3.947 3.288 1.00 0.00 H new ATOM 0 HA VAL A 41 5.420 -1.942 1.949 1.00 0.00 H new ATOM 0 HB VAL A 41 4.584 -4.561 3.254 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.601 -4.447 1.807 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.660 -3.096 2.962 1.00 0.00 H new ATOM 0 HG13 VAL A 41 3.099 -2.829 1.259 1.00 0.00 H new ATOM 0 HG21 VAL A 41 4.681 -5.453 0.954 1.00 0.00 H new ATOM 0 HG22 VAL A 41 5.280 -3.880 0.376 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.265 -4.849 1.497 1.00 0.00 H new ATOM 619 N GLU A 42 4.810 -2.429 5.164 1.00 0.00 N ATOM 620 CA GLU A 42 4.181 -1.845 6.344 1.00 0.00 C ATOM 621 C GLU A 42 4.650 -0.408 6.553 1.00 0.00 C ATOM 622 O GLU A 42 3.852 0.480 6.852 1.00 0.00 O ATOM 623 CB GLU A 42 4.496 -2.686 7.585 1.00 0.00 C ATOM 624 CG GLU A 42 3.274 -3.349 8.198 1.00 0.00 C ATOM 625 CD GLU A 42 2.668 -2.529 9.321 1.00 0.00 C ATOM 626 OE1 GLU A 42 3.378 -2.269 10.316 1.00 0.00 O ATOM 627 OE2 GLU A 42 1.484 -2.148 9.208 1.00 0.00 O ATOM 0 H GLU A 42 5.370 -3.261 5.353 1.00 0.00 H new ATOM 0 HA GLU A 42 3.103 -1.836 6.186 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.220 -3.455 7.318 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.968 -2.050 8.334 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.524 -3.508 7.423 1.00 0.00 H new ATOM 0 HG3 GLU A 42 3.551 -4.332 8.579 1.00 0.00 H new ATOM 634 N ASP A 43 5.951 -0.187 6.388 1.00 0.00 N ATOM 635 CA ASP A 43 6.526 1.144 6.553 1.00 0.00 C ATOM 636 C ASP A 43 5.966 2.098 5.504 1.00 0.00 C ATOM 637 O ASP A 43 5.633 3.244 5.803 1.00 0.00 O ATOM 638 CB ASP A 43 8.050 1.083 6.443 1.00 0.00 C ATOM 639 CG ASP A 43 8.729 2.214 7.192 1.00 0.00 C ATOM 640 OD1 ASP A 43 8.563 3.381 6.779 1.00 0.00 O ATOM 641 OD2 ASP A 43 9.427 1.932 8.188 1.00 0.00 O ATOM 0 H ASP A 43 6.626 -0.911 6.141 1.00 0.00 H new ATOM 0 HA ASP A 43 6.259 1.514 7.543 1.00 0.00 H new ATOM 0 HB2 ASP A 43 8.402 0.129 6.835 1.00 0.00 H new ATOM 0 HB3 ASP A 43 8.338 1.122 5.392 1.00 0.00 H new ATOM 646 N TRP A 44 5.891 1.618 4.268 1.00 0.00 N ATOM 647 CA TRP A 44 5.400 2.433 3.162 1.00 0.00 C ATOM 648 C TRP A 44 3.970 2.900 3.414 1.00 0.00 C ATOM 649 O TRP A 44 3.647 4.071 3.211 1.00 0.00 O ATOM 650 CB TRP A 44 5.453 1.636 1.857 1.00 0.00 C ATOM 651 CG TRP A 44 6.832 1.495 1.288 1.00 0.00 C ATOM 652 CD1 TRP A 44 7.933 2.237 1.605 1.00 0.00 C ATOM 653 CD2 TRP A 44 7.253 0.553 0.295 1.00 0.00 C ATOM 654 NE1 TRP A 44 9.015 1.812 0.871 1.00 0.00 N ATOM 655 CE2 TRP A 44 8.622 0.779 0.060 1.00 0.00 C ATOM 656 CE3 TRP A 44 6.604 -0.461 -0.415 1.00 0.00 C ATOM 657 CZ2 TRP A 44 9.352 0.028 -0.858 1.00 0.00 C ATOM 658 CZ3 TRP A 44 7.330 -1.205 -1.326 1.00 0.00 C ATOM 659 CH2 TRP A 44 8.692 -0.958 -1.540 1.00 0.00 C ATOM 0 H TRP A 44 6.163 0.670 4.006 1.00 0.00 H new ATOM 0 HA TRP A 44 6.042 3.310 3.082 1.00 0.00 H new ATOM 0 HB2 TRP A 44 5.039 0.643 2.032 1.00 0.00 H new ATOM 0 HB3 TRP A 44 4.814 2.122 1.120 1.00 0.00 H new ATOM 0 HD1 TRP A 44 7.951 3.040 2.327 1.00 0.00 H new ATOM 0 HE1 TRP A 44 9.956 2.202 0.922 1.00 0.00 H new ATOM 0 HE3 TRP A 44 5.555 -0.660 -0.255 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 10.402 0.217 -1.026 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 6.839 -1.990 -1.882 1.00 0.00 H new ATOM 0 HH2 TRP A 44 9.232 -1.558 -2.258 1.00 0.00 H new ATOM 670 N MET A 45 3.114 1.987 3.855 1.00 0.00 N ATOM 671 CA MET A 45 1.721 2.324 4.128 1.00 0.00 C ATOM 672 C MET A 45 1.596 3.205 5.370 1.00 0.00 C ATOM 673 O MET A 45 0.813 4.155 5.390 1.00 0.00 O ATOM 674 CB MET A 45 0.892 1.051 4.307 1.00 0.00 C ATOM 675 CG MET A 45 1.393 0.148 5.423 1.00 0.00 C ATOM 676 SD MET A 45 0.308 -1.260 5.720 1.00 0.00 S ATOM 677 CE MET A 45 0.552 -2.199 4.214 1.00 0.00 C ATOM 0 H MET A 45 3.357 1.012 4.031 1.00 0.00 H new ATOM 0 HA MET A 45 1.340 2.884 3.274 1.00 0.00 H new ATOM 0 HB2 MET A 45 -0.142 1.327 4.512 1.00 0.00 H new ATOM 0 HB3 MET A 45 0.893 0.492 3.371 1.00 0.00 H new ATOM 0 HG2 MET A 45 2.390 -0.214 5.172 1.00 0.00 H new ATOM 0 HG3 MET A 45 1.486 0.729 6.340 1.00 0.00 H new ATOM 0 HE1 MET A 45 -0.385 -2.248 3.660 1.00 0.00 H new ATOM 0 HE2 MET A 45 1.311 -1.713 3.601 1.00 0.00 H new ATOM 0 HE3 MET A 45 0.879 -3.208 4.464 1.00 0.00 H new ATOM 687 N ASN A 46 2.362 2.879 6.406 1.00 0.00 N ATOM 688 CA ASN A 46 2.323 3.636 7.654 1.00 0.00 C ATOM 689 C ASN A 46 2.850 5.057 7.462 1.00 0.00 C ATOM 690 O ASN A 46 2.341 6.008 8.064 1.00 0.00 O ATOM 691 CB ASN A 46 3.132 2.920 8.737 1.00 0.00 C ATOM 692 CG ASN A 46 2.287 1.961 9.552 1.00 0.00 C ATOM 693 OD1 ASN A 46 1.813 2.301 10.636 1.00 0.00 O ATOM 694 ND2 ASN A 46 2.094 0.754 9.033 1.00 0.00 N ATOM 0 H ASN A 46 3.017 2.097 6.407 1.00 0.00 H new ATOM 0 HA ASN A 46 1.282 3.701 7.969 1.00 0.00 H new ATOM 0 HB2 ASN A 46 3.951 2.372 8.272 1.00 0.00 H new ATOM 0 HB3 ASN A 46 3.579 3.660 9.401 1.00 0.00 H new ATOM 0 HD21 ASN A 46 1.534 0.066 9.536 1.00 0.00 H new ATOM 0 HD22 ASN A 46 2.506 0.515 8.131 1.00 0.00 H new ATOM 701 N PHE A 47 3.864 5.210 6.622 1.00 0.00 N ATOM 702 CA PHE A 47 4.423 6.529 6.371 1.00 0.00 C ATOM 703 C PHE A 47 3.471 7.339 5.503 1.00 0.00 C ATOM 704 O PHE A 47 3.261 8.526 5.745 1.00 0.00 O ATOM 705 CB PHE A 47 5.817 6.422 5.728 1.00 0.00 C ATOM 706 CG PHE A 47 5.919 7.010 4.344 1.00 0.00 C ATOM 707 CD1 PHE A 47 6.173 8.361 4.166 1.00 0.00 C ATOM 708 CD2 PHE A 47 5.764 6.209 3.226 1.00 0.00 C ATOM 709 CE1 PHE A 47 6.268 8.900 2.897 1.00 0.00 C ATOM 710 CE2 PHE A 47 5.859 6.742 1.954 1.00 0.00 C ATOM 711 CZ PHE A 47 6.111 8.089 1.790 1.00 0.00 C ATOM 0 H PHE A 47 4.310 4.449 6.110 1.00 0.00 H new ATOM 0 HA PHE A 47 4.544 7.047 7.322 1.00 0.00 H new ATOM 0 HB2 PHE A 47 6.539 6.921 6.374 1.00 0.00 H new ATOM 0 HB3 PHE A 47 6.102 5.371 5.683 1.00 0.00 H new ATOM 0 HD1 PHE A 47 6.298 8.999 5.028 1.00 0.00 H new ATOM 0 HD2 PHE A 47 5.566 5.154 3.349 1.00 0.00 H new ATOM 0 HE1 PHE A 47 6.465 9.954 2.771 1.00 0.00 H new ATOM 0 HE2 PHE A 47 5.736 6.105 1.090 1.00 0.00 H new ATOM 0 HZ PHE A 47 6.185 8.508 0.798 1.00 0.00 H new ATOM 721 N TYR A 48 2.881 6.691 4.503 1.00 0.00 N ATOM 722 CA TYR A 48 1.942 7.368 3.626 1.00 0.00 C ATOM 723 C TYR A 48 0.687 7.752 4.401 1.00 0.00 C ATOM 724 O TYR A 48 0.190 8.869 4.272 1.00 0.00 O ATOM 725 CB TYR A 48 1.585 6.493 2.425 1.00 0.00 C ATOM 726 CG TYR A 48 2.447 6.759 1.208 1.00 0.00 C ATOM 727 CD1 TYR A 48 2.784 8.056 0.832 1.00 0.00 C ATOM 728 CD2 TYR A 48 2.925 5.708 0.435 1.00 0.00 C ATOM 729 CE1 TYR A 48 3.572 8.294 -0.278 1.00 0.00 C ATOM 730 CE2 TYR A 48 3.714 5.940 -0.675 1.00 0.00 C ATOM 731 CZ TYR A 48 4.034 7.233 -1.028 1.00 0.00 C ATOM 732 OH TYR A 48 4.818 7.467 -2.133 1.00 0.00 O ATOM 0 H TYR A 48 3.037 5.707 4.284 1.00 0.00 H new ATOM 0 HA TYR A 48 2.415 8.275 3.250 1.00 0.00 H new ATOM 0 HB2 TYR A 48 1.682 5.445 2.707 1.00 0.00 H new ATOM 0 HB3 TYR A 48 0.540 6.657 2.163 1.00 0.00 H new ATOM 0 HD1 TYR A 48 2.424 8.889 1.417 1.00 0.00 H new ATOM 0 HD2 TYR A 48 2.676 4.693 0.706 1.00 0.00 H new ATOM 0 HE1 TYR A 48 3.825 9.306 -0.557 1.00 0.00 H new ATOM 0 HE2 TYR A 48 4.079 5.111 -1.264 1.00 0.00 H new ATOM 0 HH TYR A 48 5.620 6.906 -2.090 1.00 0.00 H new ATOM 742 N ILE A 49 0.180 6.827 5.218 1.00 0.00 N ATOM 743 CA ILE A 49 -1.008 7.105 6.015 1.00 0.00 C ATOM 744 C ILE A 49 -0.778 8.333 6.890 1.00 0.00 C ATOM 745 O ILE A 49 -1.594 9.257 6.908 1.00 0.00 O ATOM 746 CB ILE A 49 -1.418 5.903 6.899 1.00 0.00 C ATOM 747 CG1 ILE A 49 -2.723 6.205 7.631 1.00 0.00 C ATOM 748 CG2 ILE A 49 -0.326 5.563 7.888 1.00 0.00 C ATOM 749 CD1 ILE A 49 -3.329 4.998 8.315 1.00 0.00 C ATOM 0 H ILE A 49 0.569 5.892 5.342 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.825 7.294 5.318 1.00 0.00 H new ATOM 0 HB ILE A 49 -1.570 5.040 6.251 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -2.541 6.980 8.375 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -3.444 6.609 6.920 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.638 4.715 8.498 1.00 0.00 H new ATOM 0 HG22 ILE A 49 0.586 5.306 7.349 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -0.137 6.422 8.531 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -4.253 5.289 8.814 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.543 4.229 7.573 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.627 4.606 9.051 1.00 0.00 H new ATOM 761 N ASN A 50 0.354 8.358 7.597 1.00 0.00 N ATOM 762 CA ASN A 50 0.683 9.498 8.443 1.00 0.00 C ATOM 763 C ASN A 50 0.938 10.724 7.572 1.00 0.00 C ATOM 764 O ASN A 50 0.608 11.851 7.942 1.00 0.00 O ATOM 765 CB ASN A 50 1.915 9.194 9.298 1.00 0.00 C ATOM 766 CG ASN A 50 1.609 8.241 10.436 1.00 0.00 C ATOM 767 OD1 ASN A 50 1.697 7.023 10.282 1.00 0.00 O ATOM 768 ND2 ASN A 50 1.248 8.792 11.589 1.00 0.00 N ATOM 0 H ASN A 50 1.048 7.610 7.599 1.00 0.00 H new ATOM 0 HA ASN A 50 -0.156 9.697 9.109 1.00 0.00 H new ATOM 0 HB2 ASN A 50 2.694 8.765 8.668 1.00 0.00 H new ATOM 0 HB3 ASN A 50 2.311 10.125 9.704 1.00 0.00 H new ATOM 0 HD21 ASN A 50 1.031 8.200 12.391 1.00 0.00 H new ATOM 0 HD22 ASN A 50 1.188 9.807 11.673 1.00 0.00 H new ATOM 775 N TYR A 51 1.529 10.478 6.408 1.00 0.00 N ATOM 776 CA TYR A 51 1.844 11.529 5.449 1.00 0.00 C ATOM 777 C TYR A 51 0.588 12.286 5.033 1.00 0.00 C ATOM 778 O TYR A 51 0.508 13.506 5.174 1.00 0.00 O ATOM 779 CB TYR A 51 2.508 10.902 4.221 1.00 0.00 C ATOM 780 CG TYR A 51 3.114 11.890 3.256 1.00 0.00 C ATOM 781 CD1 TYR A 51 2.327 12.814 2.582 1.00 0.00 C ATOM 782 CD2 TYR A 51 4.479 11.884 3.008 1.00 0.00 C ATOM 783 CE1 TYR A 51 2.886 13.707 1.691 1.00 0.00 C ATOM 784 CE2 TYR A 51 5.045 12.772 2.118 1.00 0.00 C ATOM 785 CZ TYR A 51 4.246 13.683 1.461 1.00 0.00 C ATOM 786 OH TYR A 51 4.805 14.570 0.572 1.00 0.00 O ATOM 0 H TYR A 51 1.803 9.544 6.103 1.00 0.00 H new ATOM 0 HA TYR A 51 2.524 12.241 5.917 1.00 0.00 H new ATOM 0 HB2 TYR A 51 3.288 10.218 4.556 1.00 0.00 H new ATOM 0 HB3 TYR A 51 1.767 10.305 3.690 1.00 0.00 H new ATOM 0 HD1 TYR A 51 1.262 12.834 2.758 1.00 0.00 H new ATOM 0 HD2 TYR A 51 5.109 11.172 3.521 1.00 0.00 H new ATOM 0 HE1 TYR A 51 2.261 14.422 1.176 1.00 0.00 H new ATOM 0 HE2 TYR A 51 6.109 12.754 1.936 1.00 0.00 H new ATOM 0 HH TYR A 51 5.773 14.421 0.526 1.00 0.00 H new ATOM 796 N TYR A 52 -0.386 11.550 4.519 1.00 0.00 N ATOM 797 CA TYR A 52 -1.643 12.140 4.077 1.00 0.00 C ATOM 798 C TYR A 52 -2.426 12.696 5.257 1.00 0.00 C ATOM 799 O TYR A 52 -3.190 13.650 5.114 1.00 0.00 O ATOM 800 CB TYR A 52 -2.482 11.105 3.330 1.00 0.00 C ATOM 801 CG TYR A 52 -2.028 10.881 1.908 1.00 0.00 C ATOM 802 CD1 TYR A 52 -2.049 11.916 0.981 1.00 0.00 C ATOM 803 CD2 TYR A 52 -1.576 9.637 1.490 1.00 0.00 C ATOM 804 CE1 TYR A 52 -1.634 11.717 -0.320 1.00 0.00 C ATOM 805 CE2 TYR A 52 -1.158 9.430 0.190 1.00 0.00 C ATOM 806 CZ TYR A 52 -1.190 10.473 -0.710 1.00 0.00 C ATOM 807 OH TYR A 52 -0.776 10.274 -2.006 1.00 0.00 O ATOM 0 H TYR A 52 -0.330 10.539 4.397 1.00 0.00 H new ATOM 0 HA TYR A 52 -1.412 12.963 3.400 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -2.444 10.159 3.870 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -3.523 11.427 3.325 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -2.396 12.893 1.284 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -1.551 8.817 2.193 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -1.657 12.532 -1.028 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -0.808 8.456 -0.119 1.00 0.00 H new ATOM 0 HH TYR A 52 -0.634 11.141 -2.441 1.00 0.00 H new ATOM 817 N ARG A 53 -2.225 12.101 6.427 1.00 0.00 N ATOM 818 CA ARG A 53 -2.906 12.549 7.632 1.00 0.00 C ATOM 819 C ARG A 53 -2.564 14.006 7.938 1.00 0.00 C ATOM 820 O ARG A 53 -3.299 14.687 8.653 1.00 0.00 O ATOM 821 CB ARG A 53 -2.520 11.662 8.817 1.00 0.00 C ATOM 822 CG ARG A 53 -3.491 11.741 9.984 1.00 0.00 C ATOM 823 CD ARG A 53 -3.299 10.581 10.947 1.00 0.00 C ATOM 824 NE ARG A 53 -4.133 9.433 10.598 1.00 0.00 N ATOM 825 CZ ARG A 53 -5.405 9.294 10.973 1.00 0.00 C ATOM 826 NH1 ARG A 53 -5.998 10.236 11.697 1.00 0.00 N ATOM 827 NH2 ARG A 53 -6.086 8.213 10.619 1.00 0.00 N ATOM 0 H ARG A 53 -1.597 11.309 6.565 1.00 0.00 H new ATOM 0 HA ARG A 53 -3.981 12.474 7.465 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -2.456 10.628 8.479 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -1.526 11.946 9.163 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -3.349 12.683 10.514 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -4.514 11.738 9.608 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -2.251 10.281 10.948 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -3.538 10.907 11.959 1.00 0.00 H new ATOM 0 HE ARG A 53 -3.717 8.693 10.033 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -5.480 11.072 11.969 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -6.971 10.124 11.981 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -5.637 7.488 10.060 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -7.059 8.107 10.906 1.00 0.00 H new ATOM 841 N GLN A 54 -1.434 14.473 7.408 1.00 0.00 N ATOM 842 CA GLN A 54 -0.987 15.839 7.642 1.00 0.00 C ATOM 843 C GLN A 54 -1.221 16.731 6.422 1.00 0.00 C ATOM 844 O GLN A 54 -1.295 17.953 6.552 1.00 0.00 O ATOM 845 CB GLN A 54 0.498 15.841 8.011 1.00 0.00 C ATOM 846 CG GLN A 54 0.757 15.510 9.471 1.00 0.00 C ATOM 847 CD GLN A 54 1.264 14.096 9.668 1.00 0.00 C ATOM 848 OE1 GLN A 54 0.507 13.197 10.034 1.00 0.00 O ATOM 849 NE2 GLN A 54 2.553 13.890 9.427 1.00 0.00 N ATOM 0 H GLN A 54 -0.814 13.923 6.814 1.00 0.00 H new ATOM 0 HA GLN A 54 -1.574 16.245 8.466 1.00 0.00 H new ATOM 0 HB2 GLN A 54 1.022 15.119 7.384 1.00 0.00 H new ATOM 0 HB3 GLN A 54 0.919 16.821 7.788 1.00 0.00 H new ATOM 0 HG2 GLN A 54 1.486 16.213 9.875 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -0.164 15.644 10.039 1.00 0.00 H new ATOM 0 HE21 GLN A 54 3.145 14.664 9.125 1.00 0.00 H new ATOM 0 HE22 GLN A 54 2.951 12.958 9.544 1.00 0.00 H new ATOM 858 N GLN A 55 -1.341 16.127 5.240 1.00 0.00 N ATOM 859 CA GLN A 55 -1.568 16.890 4.011 1.00 0.00 C ATOM 860 C GLN A 55 -3.063 17.130 3.796 1.00 0.00 C ATOM 861 O GLN A 55 -3.624 16.786 2.757 1.00 0.00 O ATOM 862 CB GLN A 55 -0.973 16.147 2.818 1.00 0.00 C ATOM 863 CG GLN A 55 -0.137 17.028 1.906 1.00 0.00 C ATOM 864 CD GLN A 55 0.953 17.770 2.654 1.00 0.00 C ATOM 865 OE1 GLN A 55 0.749 18.890 3.124 1.00 0.00 O ATOM 866 NE2 GLN A 55 2.120 17.148 2.769 1.00 0.00 N ATOM 0 H GLN A 55 -1.285 15.117 5.107 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.076 17.858 4.105 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -0.355 15.327 3.183 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -1.782 15.702 2.238 1.00 0.00 H new ATOM 0 HG2 GLN A 55 0.315 16.414 1.127 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -0.786 17.748 1.407 1.00 0.00 H new ATOM 0 HE21 GLN A 55 2.245 16.220 2.364 1.00 0.00 H new ATOM 0 HE22 GLN A 55 2.891 17.598 3.262 1.00 0.00 H new ATOM 927 N PRO A 60 -12.679 18.591 9.482 1.00 0.00 N ATOM 928 CA PRO A 60 -12.393 17.185 9.792 1.00 0.00 C ATOM 929 C PRO A 60 -12.986 16.181 8.798 1.00 0.00 C ATOM 930 O PRO A 60 -12.329 15.198 8.455 1.00 0.00 O ATOM 931 CB PRO A 60 -13.014 16.976 11.185 1.00 0.00 C ATOM 932 CG PRO A 60 -13.726 18.248 11.514 1.00 0.00 C ATOM 933 CD PRO A 60 -13.069 19.319 10.696 1.00 0.00 C ATOM 0 HA PRO A 60 -11.319 17.003 9.743 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -13.704 16.132 11.182 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -12.245 16.756 11.926 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -14.787 18.173 11.277 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -13.653 18.471 12.578 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -13.752 20.139 10.476 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -12.207 19.750 11.206 1.00 0.00 H new ATOM 941 N GLN A 61 -14.227 16.393 8.361 1.00 0.00 N ATOM 942 CA GLN A 61 -14.875 15.457 7.441 1.00 0.00 C ATOM 943 C GLN A 61 -14.053 15.222 6.178 1.00 0.00 C ATOM 944 O GLN A 61 -13.988 14.100 5.675 1.00 0.00 O ATOM 945 CB GLN A 61 -16.270 15.965 7.065 1.00 0.00 C ATOM 946 CG GLN A 61 -16.257 17.240 6.235 1.00 0.00 C ATOM 947 CD GLN A 61 -16.462 16.976 4.756 1.00 0.00 C ATOM 948 OE1 GLN A 61 -17.500 16.459 4.344 1.00 0.00 O ATOM 949 NE2 GLN A 61 -15.470 17.333 3.949 1.00 0.00 N ATOM 0 H GLN A 61 -14.799 17.195 8.625 1.00 0.00 H new ATOM 0 HA GLN A 61 -14.958 14.503 7.961 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -16.792 15.186 6.509 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -16.840 16.142 7.977 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -17.039 17.910 6.592 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -15.307 17.754 6.380 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -14.627 17.759 4.334 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -15.551 17.182 2.944 1.00 0.00 H new ATOM 958 N GLU A 62 -13.422 16.269 5.674 1.00 0.00 N ATOM 959 CA GLU A 62 -12.603 16.149 4.475 1.00 0.00 C ATOM 960 C GLU A 62 -11.402 15.261 4.759 1.00 0.00 C ATOM 961 O GLU A 62 -11.083 14.351 3.988 1.00 0.00 O ATOM 962 CB GLU A 62 -12.139 17.529 4.001 1.00 0.00 C ATOM 963 CG GLU A 62 -12.262 17.730 2.499 1.00 0.00 C ATOM 964 CD GLU A 62 -11.425 16.742 1.708 1.00 0.00 C ATOM 965 OE1 GLU A 62 -10.184 16.776 1.840 1.00 0.00 O ATOM 966 OE2 GLU A 62 -12.012 15.935 0.957 1.00 0.00 O ATOM 0 H GLU A 62 -13.459 17.207 6.072 1.00 0.00 H new ATOM 0 HA GLU A 62 -13.202 15.698 3.684 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -12.724 18.295 4.511 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -11.099 17.674 4.295 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -13.307 17.630 2.207 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -11.956 18.745 2.246 1.00 0.00 H new ATOM 973 N ARG A 63 -10.744 15.519 5.884 1.00 0.00 N ATOM 974 CA ARG A 63 -9.586 14.734 6.273 1.00 0.00 C ATOM 975 C ARG A 63 -9.983 13.282 6.458 1.00 0.00 C ATOM 976 O ARG A 63 -9.337 12.381 5.929 1.00 0.00 O ATOM 977 CB ARG A 63 -8.979 15.265 7.582 1.00 0.00 C ATOM 978 CG ARG A 63 -9.206 16.753 7.820 1.00 0.00 C ATOM 979 CD ARG A 63 -7.987 17.415 8.443 1.00 0.00 C ATOM 980 NE ARG A 63 -7.974 18.863 8.223 1.00 0.00 N ATOM 981 CZ ARG A 63 -8.411 19.756 9.110 1.00 0.00 C ATOM 982 NH1 ARG A 63 -8.923 19.363 10.270 1.00 0.00 N ATOM 983 NH2 ARG A 63 -8.344 21.051 8.829 1.00 0.00 N ATOM 0 H ARG A 63 -10.993 16.262 6.537 1.00 0.00 H new ATOM 0 HA ARG A 63 -8.841 14.814 5.482 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -9.401 14.707 8.417 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -7.907 15.069 7.577 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -9.442 17.241 6.874 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -10.068 16.890 8.473 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -7.972 17.211 9.514 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -7.082 16.977 8.022 1.00 0.00 H new ATOM 0 HE ARG A 63 -7.608 19.209 7.336 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -8.985 18.369 10.490 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -9.255 20.055 10.942 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -7.959 21.360 7.936 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -8.678 21.738 9.506 1.00 0.00 H new ATOM 997 N ASP A 64 -11.025 13.056 7.251 1.00 0.00 N ATOM 998 CA ASP A 64 -11.447 11.695 7.529 1.00 0.00 C ATOM 999 C ASP A 64 -11.721 10.932 6.239 1.00 0.00 C ATOM 1000 O ASP A 64 -11.318 9.775 6.119 1.00 0.00 O ATOM 1001 CB ASP A 64 -12.696 11.696 8.411 1.00 0.00 C ATOM 1002 CG ASP A 64 -12.792 10.458 9.280 1.00 0.00 C ATOM 1003 OD1 ASP A 64 -13.258 9.414 8.778 1.00 0.00 O ATOM 1004 OD2 ASP A 64 -12.400 10.533 10.464 1.00 0.00 O ATOM 0 H ASP A 64 -11.580 13.783 7.702 1.00 0.00 H new ATOM 0 HA ASP A 64 -10.637 11.193 8.058 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -12.688 12.582 9.046 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -13.582 11.763 7.780 1.00 0.00 H new ATOM 1009 N LYS A 65 -12.404 11.546 5.269 1.00 0.00 N ATOM 1010 CA LYS A 65 -12.705 10.860 4.017 1.00 0.00 C ATOM 1011 C LYS A 65 -11.439 10.600 3.210 1.00 0.00 C ATOM 1012 O LYS A 65 -11.349 9.606 2.484 1.00 0.00 O ATOM 1013 CB LYS A 65 -13.693 11.693 3.193 1.00 0.00 C ATOM 1014 CG LYS A 65 -13.920 11.169 1.782 1.00 0.00 C ATOM 1015 CD LYS A 65 -13.515 12.192 0.729 1.00 0.00 C ATOM 1016 CE LYS A 65 -12.398 11.667 -0.160 1.00 0.00 C ATOM 1017 NZ LYS A 65 -12.904 10.711 -1.183 1.00 0.00 N ATOM 0 H LYS A 65 -12.753 12.503 5.327 1.00 0.00 H new ATOM 0 HA LYS A 65 -13.154 9.896 4.256 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -14.649 11.725 3.716 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -13.327 12.718 3.134 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -13.348 10.252 1.638 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -14.971 10.912 1.654 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -14.380 12.446 0.116 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -13.190 13.110 1.219 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -11.906 12.503 -0.657 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -11.645 11.175 0.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -12.112 10.377 -1.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -13.351 9.900 -0.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -13.604 11.187 -1.787 1.00 0.00 H new ATOM 1031 N ALA A 66 -10.457 11.479 3.345 1.00 0.00 N ATOM 1032 CA ALA A 66 -9.203 11.308 2.629 1.00 0.00 C ATOM 1033 C ALA A 66 -8.384 10.192 3.266 1.00 0.00 C ATOM 1034 O ALA A 66 -7.833 9.334 2.575 1.00 0.00 O ATOM 1035 CB ALA A 66 -8.414 12.609 2.617 1.00 0.00 C ATOM 0 H ALA A 66 -10.503 12.309 3.937 1.00 0.00 H new ATOM 0 HA ALA A 66 -9.424 11.033 1.598 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -7.479 12.462 2.077 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -9.000 13.385 2.124 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -8.198 12.913 3.641 1.00 0.00 H new ATOM 1041 N LEU A 67 -8.303 10.221 4.592 1.00 0.00 N ATOM 1042 CA LEU A 67 -7.545 9.230 5.338 1.00 0.00 C ATOM 1043 C LEU A 67 -8.160 7.838 5.222 1.00 0.00 C ATOM 1044 O LEU A 67 -7.436 6.842 5.196 1.00 0.00 O ATOM 1045 CB LEU A 67 -7.446 9.645 6.807 1.00 0.00 C ATOM 1046 CG LEU A 67 -6.312 10.624 7.135 1.00 0.00 C ATOM 1047 CD1 LEU A 67 -6.058 11.576 5.974 1.00 0.00 C ATOM 1048 CD2 LEU A 67 -6.635 11.403 8.400 1.00 0.00 C ATOM 0 H LEU A 67 -8.757 10.926 5.173 1.00 0.00 H new ATOM 0 HA LEU A 67 -6.545 9.182 4.906 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -8.392 10.097 7.105 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -7.317 8.748 7.413 1.00 0.00 H new ATOM 0 HG LEU A 67 -5.403 10.046 7.302 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.249 12.259 6.234 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -5.780 11.004 5.089 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -6.963 12.147 5.767 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -5.821 12.094 8.620 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -7.558 11.964 8.256 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -6.758 10.710 9.233 1.00 0.00 H new ATOM 1060 N GLN A 68 -9.488 7.756 5.140 1.00 0.00 N ATOM 1061 CA GLN A 68 -10.142 6.460 5.014 1.00 0.00 C ATOM 1062 C GLN A 68 -9.960 5.917 3.604 1.00 0.00 C ATOM 1063 O GLN A 68 -9.640 4.742 3.422 1.00 0.00 O ATOM 1064 CB GLN A 68 -11.631 6.542 5.370 1.00 0.00 C ATOM 1065 CG GLN A 68 -12.371 7.686 4.697 1.00 0.00 C ATOM 1066 CD GLN A 68 -13.497 7.213 3.797 1.00 0.00 C ATOM 1067 OE1 GLN A 68 -14.609 7.739 3.849 1.00 0.00 O ATOM 1068 NE2 GLN A 68 -13.217 6.215 2.965 1.00 0.00 N ATOM 0 H GLN A 68 -10.119 8.557 5.158 1.00 0.00 H new ATOM 0 HA GLN A 68 -9.673 5.777 5.722 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -12.111 5.603 5.096 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -11.729 6.646 6.451 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -12.777 8.348 5.461 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -11.665 8.273 4.109 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -12.282 5.807 2.954 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -13.937 5.857 2.338 1.00 0.00 H new ATOM 1077 N GLU A 69 -10.167 6.772 2.603 1.00 0.00 N ATOM 1078 CA GLU A 69 -10.024 6.352 1.217 1.00 0.00 C ATOM 1079 C GLU A 69 -8.597 5.901 0.949 1.00 0.00 C ATOM 1080 O GLU A 69 -8.366 4.982 0.163 1.00 0.00 O ATOM 1081 CB GLU A 69 -10.400 7.492 0.268 1.00 0.00 C ATOM 1082 CG GLU A 69 -10.771 7.022 -1.129 1.00 0.00 C ATOM 1083 CD GLU A 69 -12.172 6.449 -1.199 1.00 0.00 C ATOM 1084 OE1 GLU A 69 -13.138 7.242 -1.206 1.00 0.00 O ATOM 1085 OE2 GLU A 69 -12.305 5.208 -1.248 1.00 0.00 O ATOM 0 H GLU A 69 -10.432 7.749 2.727 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.699 5.515 1.040 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -11.239 8.045 0.691 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -9.563 8.187 0.198 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -10.690 7.858 -1.823 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -10.057 6.266 -1.456 1.00 0.00 H new ATOM 1092 N LEU A 70 -7.639 6.529 1.623 1.00 0.00 N ATOM 1093 CA LEU A 70 -6.244 6.148 1.462 1.00 0.00 C ATOM 1094 C LEU A 70 -6.034 4.772 2.075 1.00 0.00 C ATOM 1095 O LEU A 70 -5.452 3.881 1.457 1.00 0.00 O ATOM 1096 CB LEU A 70 -5.325 7.175 2.133 1.00 0.00 C ATOM 1097 CG LEU A 70 -4.430 7.966 1.179 1.00 0.00 C ATOM 1098 CD1 LEU A 70 -3.430 7.043 0.498 1.00 0.00 C ATOM 1099 CD2 LEU A 70 -5.270 8.706 0.146 1.00 0.00 C ATOM 0 H LEU A 70 -7.801 7.294 2.278 1.00 0.00 H new ATOM 0 HA LEU A 70 -5.997 6.118 0.401 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -5.940 7.877 2.695 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -4.693 6.657 2.854 1.00 0.00 H new ATOM 0 HG LEU A 70 -3.875 8.704 1.759 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -2.801 7.623 -0.178 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -2.806 6.563 1.252 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -3.965 6.281 -0.069 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.615 9.263 -0.524 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -5.853 7.988 -0.431 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -5.944 9.397 0.652 1.00 0.00 H new ATOM 1111 N ARG A 71 -6.509 4.618 3.306 1.00 0.00 N ATOM 1112 CA ARG A 71 -6.374 3.361 4.031 1.00 0.00 C ATOM 1113 C ARG A 71 -6.957 2.202 3.229 1.00 0.00 C ATOM 1114 O ARG A 71 -6.348 1.137 3.143 1.00 0.00 O ATOM 1115 CB ARG A 71 -7.075 3.456 5.388 1.00 0.00 C ATOM 1116 CG ARG A 71 -6.709 2.328 6.341 1.00 0.00 C ATOM 1117 CD ARG A 71 -7.756 2.152 7.430 1.00 0.00 C ATOM 1118 NE ARG A 71 -8.682 1.060 7.131 1.00 0.00 N ATOM 1119 CZ ARG A 71 -9.871 1.225 6.551 1.00 0.00 C ATOM 1120 NH1 ARG A 71 -10.292 2.434 6.201 1.00 0.00 N ATOM 1121 NH2 ARG A 71 -10.642 0.171 6.319 1.00 0.00 N ATOM 0 H ARG A 71 -6.993 5.352 3.824 1.00 0.00 H new ATOM 0 HA ARG A 71 -5.312 3.173 4.186 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -6.823 4.409 5.852 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -8.154 3.453 5.232 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -6.605 1.398 5.782 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -5.741 2.536 6.797 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -7.260 1.956 8.381 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -8.316 3.080 7.547 1.00 0.00 H new ATOM 0 HE ARG A 71 -8.400 0.112 7.382 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -9.704 3.249 6.375 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -11.204 2.548 5.758 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -10.325 -0.761 6.584 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -11.552 0.293 5.875 1.00 0.00 H new ATOM 1135 N GLN A 72 -8.131 2.407 2.636 1.00 0.00 N ATOM 1136 CA GLN A 72 -8.765 1.365 1.839 1.00 0.00 C ATOM 1137 C GLN A 72 -7.950 1.083 0.581 1.00 0.00 C ATOM 1138 O GLN A 72 -7.749 -0.072 0.205 1.00 0.00 O ATOM 1139 CB GLN A 72 -10.191 1.776 1.462 1.00 0.00 C ATOM 1140 CG GLN A 72 -11.207 0.656 1.618 1.00 0.00 C ATOM 1141 CD GLN A 72 -11.555 -0.003 0.298 1.00 0.00 C ATOM 1142 OE1 GLN A 72 -10.892 -0.947 -0.132 1.00 0.00 O ATOM 1143 NE2 GLN A 72 -12.601 0.492 -0.353 1.00 0.00 N ATOM 0 H GLN A 72 -8.657 3.279 2.693 1.00 0.00 H new ATOM 0 HA GLN A 72 -8.809 0.454 2.436 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -10.494 2.619 2.083 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -10.200 2.122 0.428 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -10.812 -0.095 2.302 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -12.115 1.054 2.072 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -13.122 1.276 0.040 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -12.883 0.089 -1.246 1.00 0.00 H new ATOM 1152 N GLU A 73 -7.471 2.147 -0.060 1.00 0.00 N ATOM 1153 CA GLU A 73 -6.666 2.013 -1.268 1.00 0.00 C ATOM 1154 C GLU A 73 -5.414 1.194 -0.982 1.00 0.00 C ATOM 1155 O GLU A 73 -5.078 0.277 -1.727 1.00 0.00 O ATOM 1156 CB GLU A 73 -6.279 3.393 -1.807 1.00 0.00 C ATOM 1157 CG GLU A 73 -6.310 3.484 -3.324 1.00 0.00 C ATOM 1158 CD GLU A 73 -6.740 4.853 -3.816 1.00 0.00 C ATOM 1159 OE1 GLU A 73 -6.152 5.858 -3.363 1.00 0.00 O ATOM 1160 OE2 GLU A 73 -7.665 4.919 -4.652 1.00 0.00 O ATOM 0 H GLU A 73 -7.627 3.110 0.238 1.00 0.00 H new ATOM 0 HA GLU A 73 -7.259 1.496 -2.022 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -6.957 4.139 -1.393 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -5.278 3.643 -1.457 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -5.320 3.254 -3.719 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -6.992 2.730 -3.716 1.00 0.00 H new ATOM 1167 N LEU A 74 -4.752 1.509 0.128 1.00 0.00 N ATOM 1168 CA LEU A 74 -3.562 0.774 0.535 1.00 0.00 C ATOM 1169 C LEU A 74 -3.955 -0.646 0.924 1.00 0.00 C ATOM 1170 O LEU A 74 -3.301 -1.618 0.549 1.00 0.00 O ATOM 1171 CB LEU A 74 -2.875 1.471 1.711 1.00 0.00 C ATOM 1172 CG LEU A 74 -2.242 2.823 1.383 1.00 0.00 C ATOM 1173 CD1 LEU A 74 -2.149 3.684 2.632 1.00 0.00 C ATOM 1174 CD2 LEU A 74 -0.866 2.628 0.763 1.00 0.00 C ATOM 0 H LEU A 74 -5.019 2.265 0.758 1.00 0.00 H new ATOM 0 HA LEU A 74 -2.861 0.742 -0.299 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -3.606 1.613 2.507 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.102 0.811 2.103 1.00 0.00 H new ATOM 0 HG LEU A 74 -2.876 3.336 0.660 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -1.696 4.643 2.380 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -3.148 3.849 3.035 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -1.536 3.178 3.378 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -0.429 3.600 0.535 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.223 2.096 1.464 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -0.960 2.048 -0.155 1.00 0.00 H new ATOM 1186 N ASN A 75 -5.030 -0.740 1.703 1.00 0.00 N ATOM 1187 CA ASN A 75 -5.528 -2.022 2.183 1.00 0.00 C ATOM 1188 C ASN A 75 -5.730 -2.992 1.027 1.00 0.00 C ATOM 1189 O ASN A 75 -5.284 -4.138 1.083 1.00 0.00 O ATOM 1190 CB ASN A 75 -6.844 -1.831 2.943 1.00 0.00 C ATOM 1191 CG ASN A 75 -6.652 -1.865 4.446 1.00 0.00 C ATOM 1192 OD1 ASN A 75 -7.255 -2.683 5.142 1.00 0.00 O ATOM 1193 ND2 ASN A 75 -5.810 -0.975 4.957 1.00 0.00 N ATOM 0 H ASN A 75 -5.575 0.064 2.016 1.00 0.00 H new ATOM 0 HA ASN A 75 -4.785 -2.442 2.861 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -7.290 -0.878 2.658 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -7.546 -2.612 2.651 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -5.642 -0.951 5.963 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -5.331 -0.315 4.344 1.00 0.00 H new ATOM 1200 N THR A 76 -6.390 -2.529 -0.024 1.00 0.00 N ATOM 1201 CA THR A 76 -6.626 -3.367 -1.190 1.00 0.00 C ATOM 1202 C THR A 76 -5.359 -3.467 -2.033 1.00 0.00 C ATOM 1203 O THR A 76 -4.941 -4.552 -2.405 1.00 0.00 O ATOM 1204 CB THR A 76 -7.775 -2.805 -2.029 1.00 0.00 C ATOM 1205 OG1 THR A 76 -8.907 -2.544 -1.218 1.00 0.00 O ATOM 1206 CG2 THR A 76 -8.212 -3.731 -3.143 1.00 0.00 C ATOM 0 H THR A 76 -6.769 -1.585 -0.094 1.00 0.00 H new ATOM 0 HA THR A 76 -6.901 -4.365 -0.849 1.00 0.00 H new ATOM 0 HB THR A 76 -7.387 -1.888 -2.473 1.00 0.00 H new ATOM 0 HG1 THR A 76 -9.147 -1.596 -1.286 1.00 0.00 H new ATOM 0 HG21 THR A 76 -9.030 -3.272 -3.698 1.00 0.00 H new ATOM 0 HG22 THR A 76 -7.373 -3.912 -3.815 1.00 0.00 H new ATOM 0 HG23 THR A 76 -8.548 -4.677 -2.719 1.00 0.00 H new ATOM 1214 N LEU A 77 -4.772 -2.317 -2.348 1.00 0.00 N ATOM 1215 CA LEU A 77 -3.564 -2.263 -3.173 1.00 0.00 C ATOM 1216 C LEU A 77 -2.502 -3.255 -2.690 1.00 0.00 C ATOM 1217 O LEU A 77 -1.932 -4.002 -3.486 1.00 0.00 O ATOM 1218 CB LEU A 77 -2.978 -0.846 -3.157 1.00 0.00 C ATOM 1219 CG LEU A 77 -3.583 0.126 -4.174 1.00 0.00 C ATOM 1220 CD1 LEU A 77 -2.854 1.462 -4.134 1.00 0.00 C ATOM 1221 CD2 LEU A 77 -3.535 -0.467 -5.573 1.00 0.00 C ATOM 0 H LEU A 77 -5.113 -1.405 -2.044 1.00 0.00 H new ATOM 0 HA LEU A 77 -3.850 -2.536 -4.189 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.108 -0.428 -2.159 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -1.905 -0.913 -3.337 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.627 0.296 -3.909 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.297 2.140 -4.863 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -2.941 1.894 -3.137 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.802 1.310 -4.373 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -3.969 0.238 -6.282 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.499 -0.667 -5.848 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.102 -1.398 -5.593 1.00 0.00 H new ATOM 1233 N ALA A 78 -2.236 -3.250 -1.388 1.00 0.00 N ATOM 1234 CA ALA A 78 -1.237 -4.140 -0.799 1.00 0.00 C ATOM 1235 C ALA A 78 -1.731 -5.583 -0.671 1.00 0.00 C ATOM 1236 O ALA A 78 -0.931 -6.516 -0.598 1.00 0.00 O ATOM 1237 CB ALA A 78 -0.811 -3.612 0.563 1.00 0.00 C ATOM 0 H ALA A 78 -2.699 -2.638 -0.717 1.00 0.00 H new ATOM 0 HA ALA A 78 -0.383 -4.155 -1.476 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -0.067 -4.280 0.996 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -0.382 -2.616 0.449 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -1.679 -3.561 1.221 1.00 0.00 H new ATOM 1243 N ASN A 79 -3.047 -5.759 -0.599 1.00 0.00 N ATOM 1244 CA ASN A 79 -3.638 -7.089 -0.425 1.00 0.00 C ATOM 1245 C ASN A 79 -3.125 -8.113 -1.447 1.00 0.00 C ATOM 1246 O ASN A 79 -2.718 -9.212 -1.069 1.00 0.00 O ATOM 1247 CB ASN A 79 -5.162 -6.997 -0.511 1.00 0.00 C ATOM 1248 CG ASN A 79 -5.852 -7.836 0.547 1.00 0.00 C ATOM 1249 OD1 ASN A 79 -6.535 -7.308 1.426 1.00 0.00 O ATOM 1250 ND2 ASN A 79 -5.676 -9.150 0.470 1.00 0.00 N ATOM 0 H ASN A 79 -3.727 -5.001 -0.658 1.00 0.00 H new ATOM 0 HA ASN A 79 -3.334 -7.441 0.561 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -5.467 -5.956 -0.402 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -5.488 -7.323 -1.499 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -6.115 -9.764 1.156 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -5.102 -9.545 -0.275 1.00 0.00 H new ATOM 1257 N PRO A 80 -3.145 -7.788 -2.752 1.00 0.00 N ATOM 1258 CA PRO A 80 -2.689 -8.709 -3.797 1.00 0.00 C ATOM 1259 C PRO A 80 -1.176 -8.879 -3.823 1.00 0.00 C ATOM 1260 O PRO A 80 -0.670 -9.928 -4.228 1.00 0.00 O ATOM 1261 CB PRO A 80 -3.169 -8.046 -5.087 1.00 0.00 C ATOM 1262 CG PRO A 80 -3.223 -6.597 -4.761 1.00 0.00 C ATOM 1263 CD PRO A 80 -3.627 -6.517 -3.315 1.00 0.00 C ATOM 0 HA PRO A 80 -3.079 -9.715 -3.640 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -2.485 -8.242 -5.913 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -4.147 -8.422 -5.387 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -2.255 -6.123 -4.923 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -3.941 -6.080 -5.397 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -3.172 -5.660 -2.818 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -4.706 -6.413 -3.205 1.00 0.00 H new ATOM 1271 N PHE A 81 -0.448 -7.850 -3.396 1.00 0.00 N ATOM 1272 CA PHE A 81 1.006 -7.903 -3.390 1.00 0.00 C ATOM 1273 C PHE A 81 1.511 -8.834 -2.292 1.00 0.00 C ATOM 1274 O PHE A 81 2.293 -9.748 -2.553 1.00 0.00 O ATOM 1275 CB PHE A 81 1.548 -6.479 -3.183 1.00 0.00 C ATOM 1276 CG PHE A 81 3.032 -6.383 -2.967 1.00 0.00 C ATOM 1277 CD1 PHE A 81 3.628 -6.900 -1.825 1.00 0.00 C ATOM 1278 CD2 PHE A 81 3.829 -5.758 -3.908 1.00 0.00 C ATOM 1279 CE1 PHE A 81 4.991 -6.793 -1.632 1.00 0.00 C ATOM 1280 CE2 PHE A 81 5.190 -5.648 -3.718 1.00 0.00 C ATOM 1281 CZ PHE A 81 5.772 -6.165 -2.581 1.00 0.00 C ATOM 0 H PHE A 81 -0.842 -6.974 -3.052 1.00 0.00 H new ATOM 0 HA PHE A 81 1.360 -8.298 -4.342 1.00 0.00 H new ATOM 0 HB2 PHE A 81 1.284 -5.877 -4.053 1.00 0.00 H new ATOM 0 HB3 PHE A 81 1.043 -6.037 -2.324 1.00 0.00 H new ATOM 0 HD1 PHE A 81 3.019 -7.391 -1.080 1.00 0.00 H new ATOM 0 HD2 PHE A 81 3.380 -5.351 -4.802 1.00 0.00 H new ATOM 0 HE1 PHE A 81 5.445 -7.200 -0.740 1.00 0.00 H new ATOM 0 HE2 PHE A 81 5.801 -5.156 -4.461 1.00 0.00 H new ATOM 0 HZ PHE A 81 6.838 -6.079 -2.433 1.00 0.00 H new ATOM 1291 N LEU A 82 1.076 -8.585 -1.062 1.00 0.00 N ATOM 1292 CA LEU A 82 1.503 -9.391 0.074 1.00 0.00 C ATOM 1293 C LEU A 82 1.089 -10.849 -0.086 1.00 0.00 C ATOM 1294 O LEU A 82 1.867 -11.756 0.210 1.00 0.00 O ATOM 1295 CB LEU A 82 0.939 -8.818 1.375 1.00 0.00 C ATOM 1296 CG LEU A 82 1.869 -7.843 2.101 1.00 0.00 C ATOM 1297 CD1 LEU A 82 3.219 -8.493 2.360 1.00 0.00 C ATOM 1298 CD2 LEU A 82 2.041 -6.564 1.293 1.00 0.00 C ATOM 0 H LEU A 82 0.429 -7.832 -0.827 1.00 0.00 H new ATOM 0 HA LEU A 82 2.592 -9.357 0.114 1.00 0.00 H new ATOM 0 HB2 LEU A 82 0.001 -8.308 1.155 1.00 0.00 H new ATOM 0 HB3 LEU A 82 0.703 -9.643 2.047 1.00 0.00 H new ATOM 0 HG LEU A 82 1.418 -7.585 3.059 1.00 0.00 H new ATOM 0 HD11 LEU A 82 3.869 -7.787 2.877 1.00 0.00 H new ATOM 0 HD12 LEU A 82 3.083 -9.381 2.978 1.00 0.00 H new ATOM 0 HD13 LEU A 82 3.674 -8.778 1.411 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.705 -5.884 1.826 1.00 0.00 H new ATOM 0 HD22 LEU A 82 2.471 -6.803 0.320 1.00 0.00 H new ATOM 0 HD23 LEU A 82 1.070 -6.088 1.154 1.00 0.00 H new ATOM 1310 N ALA A 83 -0.132 -11.077 -0.557 1.00 0.00 N ATOM 1311 CA ALA A 83 -0.622 -12.435 -0.749 1.00 0.00 C ATOM 1312 C ALA A 83 0.166 -13.141 -1.840 1.00 0.00 C ATOM 1313 O ALA A 83 0.567 -14.295 -1.686 1.00 0.00 O ATOM 1314 CB ALA A 83 -2.107 -12.427 -1.081 1.00 0.00 C ATOM 0 H ALA A 83 -0.795 -10.345 -0.811 1.00 0.00 H new ATOM 0 HA ALA A 83 -0.482 -12.983 0.183 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -2.454 -13.451 -1.221 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -2.660 -11.965 -0.263 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -2.272 -11.860 -1.997 1.00 0.00 H new ATOM 1320 N LYS A 84 0.396 -12.438 -2.939 1.00 0.00 N ATOM 1321 CA LYS A 84 1.150 -12.998 -4.049 1.00 0.00 C ATOM 1322 C LYS A 84 2.586 -13.291 -3.623 1.00 0.00 C ATOM 1323 O LYS A 84 3.227 -14.204 -4.148 1.00 0.00 O ATOM 1324 CB LYS A 84 1.144 -12.034 -5.238 1.00 0.00 C ATOM 1325 CG LYS A 84 -0.131 -12.092 -6.062 1.00 0.00 C ATOM 1326 CD LYS A 84 -0.299 -13.446 -6.733 1.00 0.00 C ATOM 1327 CE LYS A 84 -1.195 -14.367 -5.919 1.00 0.00 C ATOM 1328 NZ LYS A 84 -2.579 -14.428 -6.467 1.00 0.00 N ATOM 0 H LYS A 84 0.072 -11.482 -3.085 1.00 0.00 H new ATOM 0 HA LYS A 84 0.675 -13.932 -4.351 1.00 0.00 H new ATOM 0 HB2 LYS A 84 1.284 -11.017 -4.871 1.00 0.00 H new ATOM 0 HB3 LYS A 84 1.994 -12.260 -5.882 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -0.990 -11.894 -5.420 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -0.112 -11.309 -6.820 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -0.724 -13.310 -7.727 1.00 0.00 H new ATOM 0 HD3 LYS A 84 0.678 -13.911 -6.865 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -0.767 -15.369 -5.904 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -1.229 -14.020 -4.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -3.156 -15.066 -5.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -2.998 -13.476 -6.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -2.550 -14.784 -7.444 1.00 0.00 H new ATOM 1342 N TYR A 85 3.080 -12.520 -2.657 1.00 0.00 N ATOM 1343 CA TYR A 85 4.439 -12.725 -2.176 1.00 0.00 C ATOM 1344 C TYR A 85 4.504 -13.927 -1.243 1.00 0.00 C ATOM 1345 O TYR A 85 5.335 -14.815 -1.430 1.00 0.00 O ATOM 1346 CB TYR A 85 4.966 -11.479 -1.466 1.00 0.00 C ATOM 1347 CG TYR A 85 6.444 -11.264 -1.689 1.00 0.00 C ATOM 1348 CD1 TYR A 85 6.928 -10.906 -2.940 1.00 0.00 C ATOM 1349 CD2 TYR A 85 7.357 -11.437 -0.656 1.00 0.00 C ATOM 1350 CE1 TYR A 85 8.279 -10.723 -3.157 1.00 0.00 C ATOM 1351 CE2 TYR A 85 8.711 -11.258 -0.865 1.00 0.00 C ATOM 1352 CZ TYR A 85 9.166 -10.900 -2.116 1.00 0.00 C ATOM 1353 OH TYR A 85 10.512 -10.724 -2.329 1.00 0.00 O ATOM 0 H TYR A 85 2.570 -11.763 -2.201 1.00 0.00 H new ATOM 0 HA TYR A 85 5.072 -12.919 -3.042 1.00 0.00 H new ATOM 0 HB2 TYR A 85 4.418 -10.605 -1.819 1.00 0.00 H new ATOM 0 HB3 TYR A 85 4.773 -11.566 -0.397 1.00 0.00 H new ATOM 0 HD1 TYR A 85 6.236 -10.768 -3.757 1.00 0.00 H new ATOM 0 HD2 TYR A 85 7.003 -11.716 0.325 1.00 0.00 H new ATOM 0 HE1 TYR A 85 8.639 -10.443 -4.136 1.00 0.00 H new ATOM 0 HE2 TYR A 85 9.409 -11.398 -0.053 1.00 0.00 H new ATOM 0 HH TYR A 85 11.018 -11.308 -1.726 1.00 0.00 H new ATOM 1363 N ARG A 86 3.645 -13.952 -0.226 1.00 0.00 N ATOM 1364 CA ARG A 86 3.656 -15.058 0.725 1.00 0.00 C ATOM 1365 C ARG A 86 3.525 -16.385 -0.011 1.00 0.00 C ATOM 1366 O ARG A 86 4.292 -17.317 0.238 1.00 0.00 O ATOM 1367 CB ARG A 86 2.538 -14.908 1.761 1.00 0.00 C ATOM 1368 CG ARG A 86 1.167 -14.649 1.162 1.00 0.00 C ATOM 1369 CD ARG A 86 0.189 -14.128 2.207 1.00 0.00 C ATOM 1370 NE ARG A 86 0.423 -14.713 3.527 1.00 0.00 N ATOM 1371 CZ ARG A 86 0.048 -14.141 4.669 1.00 0.00 C ATOM 1372 NH1 ARG A 86 -0.592 -12.977 4.661 1.00 0.00 N ATOM 1373 NH2 ARG A 86 0.309 -14.737 5.825 1.00 0.00 N ATOM 0 H ARG A 86 2.945 -13.233 -0.042 1.00 0.00 H new ATOM 0 HA ARG A 86 4.608 -15.041 1.255 1.00 0.00 H new ATOM 0 HB2 ARG A 86 2.493 -15.814 2.365 1.00 0.00 H new ATOM 0 HB3 ARG A 86 2.789 -14.088 2.434 1.00 0.00 H new ATOM 0 HG2 ARG A 86 1.254 -13.926 0.351 1.00 0.00 H new ATOM 0 HG3 ARG A 86 0.779 -15.570 0.727 1.00 0.00 H new ATOM 0 HD2 ARG A 86 0.274 -13.043 2.272 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -0.830 -14.349 1.890 1.00 0.00 H new ATOM 0 HE ARG A 86 0.902 -15.612 3.575 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -0.799 -12.515 3.776 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -0.876 -12.545 5.540 1.00 0.00 H new ATOM 0 HH21 ARG A 86 0.797 -15.633 5.838 1.00 0.00 H new ATOM 0 HH22 ARG A 86 0.022 -14.299 6.701 1.00 0.00 H new ATOM 1387 N ASP A 87 2.576 -16.464 -0.937 1.00 0.00 N ATOM 1388 CA ASP A 87 2.388 -17.678 -1.718 1.00 0.00 C ATOM 1389 C ASP A 87 3.609 -17.923 -2.599 1.00 0.00 C ATOM 1390 O ASP A 87 4.066 -19.057 -2.745 1.00 0.00 O ATOM 1391 CB ASP A 87 1.128 -17.569 -2.580 1.00 0.00 C ATOM 1392 CG ASP A 87 0.275 -18.822 -2.519 1.00 0.00 C ATOM 1393 OD1 ASP A 87 0.625 -19.812 -3.195 1.00 0.00 O ATOM 1394 OD2 ASP A 87 -0.743 -18.812 -1.795 1.00 0.00 O ATOM 0 H ASP A 87 1.930 -15.708 -1.163 1.00 0.00 H new ATOM 0 HA ASP A 87 2.268 -18.519 -1.035 1.00 0.00 H new ATOM 0 HB2 ASP A 87 0.538 -16.715 -2.249 1.00 0.00 H new ATOM 0 HB3 ASP A 87 1.414 -17.378 -3.614 1.00 0.00 H new ATOM 1399 N PHE A 88 4.142 -16.845 -3.177 1.00 0.00 N ATOM 1400 CA PHE A 88 5.319 -16.939 -4.035 1.00 0.00 C ATOM 1401 C PHE A 88 6.499 -17.534 -3.267 1.00 0.00 C ATOM 1402 O PHE A 88 7.240 -18.365 -3.794 1.00 0.00 O ATOM 1403 CB PHE A 88 5.685 -15.551 -4.580 1.00 0.00 C ATOM 1404 CG PHE A 88 7.128 -15.407 -4.985 1.00 0.00 C ATOM 1405 CD1 PHE A 88 8.095 -15.087 -4.045 1.00 0.00 C ATOM 1406 CD2 PHE A 88 7.515 -15.592 -6.302 1.00 0.00 C ATOM 1407 CE1 PHE A 88 9.421 -14.955 -4.411 1.00 0.00 C ATOM 1408 CE2 PHE A 88 8.840 -15.460 -6.675 1.00 0.00 C ATOM 1409 CZ PHE A 88 9.795 -15.142 -5.728 1.00 0.00 C ATOM 0 H PHE A 88 3.776 -15.899 -3.065 1.00 0.00 H new ATOM 0 HA PHE A 88 5.087 -17.598 -4.872 1.00 0.00 H new ATOM 0 HB2 PHE A 88 5.054 -15.334 -5.442 1.00 0.00 H new ATOM 0 HB3 PHE A 88 5.456 -14.803 -3.821 1.00 0.00 H new ATOM 0 HD1 PHE A 88 7.809 -14.939 -3.014 1.00 0.00 H new ATOM 0 HD2 PHE A 88 6.773 -15.842 -7.046 1.00 0.00 H new ATOM 0 HE1 PHE A 88 10.164 -14.706 -3.668 1.00 0.00 H new ATOM 0 HE2 PHE A 88 9.128 -15.605 -7.706 1.00 0.00 H new ATOM 0 HZ PHE A 88 10.831 -15.040 -6.017 1.00 0.00 H new ATOM 1419 N LEU A 89 6.665 -17.104 -2.020 1.00 0.00 N ATOM 1420 CA LEU A 89 7.751 -17.593 -1.180 1.00 0.00 C ATOM 1421 C LEU A 89 7.570 -19.075 -0.871 1.00 0.00 C ATOM 1422 O LEU A 89 8.517 -19.858 -0.956 1.00 0.00 O ATOM 1423 CB LEU A 89 7.824 -16.788 0.120 1.00 0.00 C ATOM 1424 CG LEU A 89 9.190 -16.159 0.415 1.00 0.00 C ATOM 1425 CD1 LEU A 89 9.203 -14.689 0.015 1.00 0.00 C ATOM 1426 CD2 LEU A 89 9.543 -16.317 1.889 1.00 0.00 C ATOM 0 H LEU A 89 6.060 -16.417 -1.569 1.00 0.00 H new ATOM 0 HA LEU A 89 8.686 -17.466 -1.725 1.00 0.00 H new ATOM 0 HB2 LEU A 89 7.076 -15.996 0.082 1.00 0.00 H new ATOM 0 HB3 LEU A 89 7.554 -17.441 0.950 1.00 0.00 H new ATOM 0 HG LEU A 89 9.943 -16.680 -0.177 1.00 0.00 H new ATOM 0 HD11 LEU A 89 10.182 -14.261 0.233 1.00 0.00 H new ATOM 0 HD12 LEU A 89 8.997 -14.600 -1.052 1.00 0.00 H new ATOM 0 HD13 LEU A 89 8.439 -14.152 0.578 1.00 0.00 H new ATOM 0 HD21 LEU A 89 10.516 -15.865 2.081 1.00 0.00 H new ATOM 0 HD22 LEU A 89 8.787 -15.823 2.499 1.00 0.00 H new ATOM 0 HD23 LEU A 89 9.579 -17.376 2.143 1.00 0.00 H new ATOM 1438 N LYS A 90 6.348 -19.455 -0.516 1.00 0.00 N ATOM 1439 CA LYS A 90 6.043 -20.844 -0.198 1.00 0.00 C ATOM 1440 C LYS A 90 6.250 -21.736 -1.418 1.00 0.00 C ATOM 1441 O LYS A 90 6.650 -22.894 -1.293 1.00 0.00 O ATOM 1442 CB LYS A 90 4.604 -20.971 0.307 1.00 0.00 C ATOM 1443 CG LYS A 90 4.496 -21.050 1.821 1.00 0.00 C ATOM 1444 CD LYS A 90 4.534 -19.668 2.454 1.00 0.00 C ATOM 1445 CE LYS A 90 3.753 -19.631 3.758 1.00 0.00 C ATOM 1446 NZ LYS A 90 4.479 -18.883 4.823 1.00 0.00 N ATOM 0 H LYS A 90 5.553 -18.821 -0.441 1.00 0.00 H new ATOM 0 HA LYS A 90 6.724 -21.170 0.588 1.00 0.00 H new ATOM 0 HB2 LYS A 90 4.027 -20.116 -0.046 1.00 0.00 H new ATOM 0 HB3 LYS A 90 4.152 -21.862 -0.128 1.00 0.00 H new ATOM 0 HG2 LYS A 90 3.568 -21.552 2.095 1.00 0.00 H new ATOM 0 HG3 LYS A 90 5.313 -21.654 2.214 1.00 0.00 H new ATOM 0 HD2 LYS A 90 5.569 -19.380 2.640 1.00 0.00 H new ATOM 0 HD3 LYS A 90 4.120 -18.937 1.760 1.00 0.00 H new ATOM 0 HE2 LYS A 90 2.782 -19.166 3.586 1.00 0.00 H new ATOM 0 HE3 LYS A 90 3.563 -20.650 4.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 3.912 -18.882 5.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 5.395 -19.341 5.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 4.638 -17.903 4.512 1.00 0.00 H new ATOM 1460 N SER A 91 5.977 -21.187 -2.598 1.00 0.00 N ATOM 1461 CA SER A 91 6.136 -21.930 -3.842 1.00 0.00 C ATOM 1462 C SER A 91 7.603 -21.977 -4.256 1.00 0.00 C ATOM 1463 O SER A 91 8.164 -23.052 -4.472 1.00 0.00 O ATOM 1464 CB SER A 91 5.299 -21.292 -4.953 1.00 0.00 C ATOM 1465 OG SER A 91 3.921 -21.567 -4.774 1.00 0.00 O ATOM 0 H SER A 91 5.645 -20.230 -2.718 1.00 0.00 H new ATOM 0 HA SER A 91 5.788 -22.950 -3.678 1.00 0.00 H new ATOM 0 HB2 SER A 91 5.460 -20.214 -4.961 1.00 0.00 H new ATOM 0 HB3 SER A 91 5.626 -21.670 -5.922 1.00 0.00 H new ATOM 0 HG SER A 91 3.541 -20.930 -4.134 1.00 0.00 H new