USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 590 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 80 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 81 THR OG1 : rot 48:sc= 1.16 USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=-0.083) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN :FLIP amide:sc= 0 F(o=-1.1!,f=0) USER MOD Single : A 33 ASN : amide:sc= -0.0128 K(o=-0.013,f=-1.6!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0.472 USER MOD Single : A 65 HIS : no HE2:sc= -8.8! C(o=-8.8!,f=-13!) USER MOD Single : A 68 SER OG : rot 170:sc= -0.703 USER MOD Single : A 71 SER OG : rot 30:sc= -4.52! USER MOD ----------------------------------------------------------------- ATOM 63 N HIS A 3 3.117 -9.552 -4.312 1.00 0.00 N ATOM 64 CA HIS A 3 2.673 -8.789 -5.519 1.00 0.00 C ATOM 65 C HIS A 3 2.660 -7.288 -5.217 1.00 0.00 C ATOM 66 O HIS A 3 1.672 -6.614 -5.435 1.00 0.00 O ATOM 67 CB HIS A 3 1.268 -9.232 -5.939 1.00 0.00 C ATOM 68 CG HIS A 3 1.118 -10.712 -5.714 1.00 0.00 C ATOM 69 ND1 HIS A 3 0.551 -11.232 -4.559 1.00 0.00 N ATOM 70 CD2 HIS A 3 1.456 -11.795 -6.488 1.00 0.00 C ATOM 71 CE1 HIS A 3 0.564 -12.574 -4.670 1.00 0.00 C ATOM 72 NE2 HIS A 3 1.105 -12.965 -5.824 1.00 0.00 N ATOM 0 HA HIS A 3 3.372 -8.990 -6.331 1.00 0.00 H new ATOM 0 HB2 HIS A 3 0.517 -8.689 -5.365 1.00 0.00 H new ATOM 0 HB3 HIS A 3 1.099 -8.995 -6.989 1.00 0.00 H new ATOM 0 HD2 HIS A 3 1.922 -11.745 -7.461 1.00 0.00 H new ATOM 0 HE1 HIS A 3 0.184 -13.249 -3.918 1.00 0.00 H new ATOM 0 HE2 HIS A 3 1.234 -13.922 -6.151 1.00 0.00 H new ATOM 81 N ALA A 4 3.746 -6.751 -4.725 1.00 0.00 N ATOM 82 CA ALA A 4 3.773 -5.291 -4.425 1.00 0.00 C ATOM 83 C ALA A 4 3.555 -4.507 -5.722 1.00 0.00 C ATOM 84 O ALA A 4 2.839 -3.524 -5.756 1.00 0.00 O ATOM 85 CB ALA A 4 5.130 -4.904 -3.833 1.00 0.00 C ATOM 0 H ALA A 4 4.608 -7.256 -4.520 1.00 0.00 H new ATOM 0 HA ALA A 4 2.986 -5.059 -3.708 1.00 0.00 H new ATOM 0 HB1 ALA A 4 5.141 -3.836 -3.617 1.00 0.00 H new ATOM 0 HB2 ALA A 4 5.298 -5.462 -2.912 1.00 0.00 H new ATOM 0 HB3 ALA A 4 5.919 -5.138 -4.548 1.00 0.00 H new ATOM 91 N SER A 5 4.174 -4.936 -6.789 1.00 0.00 N ATOM 92 CA SER A 5 4.013 -4.221 -8.086 1.00 0.00 C ATOM 93 C SER A 5 2.544 -4.240 -8.512 1.00 0.00 C ATOM 94 O SER A 5 2.035 -3.282 -9.056 1.00 0.00 O ATOM 95 CB SER A 5 4.860 -4.911 -9.156 1.00 0.00 C ATOM 96 OG SER A 5 6.209 -4.985 -8.711 1.00 0.00 O ATOM 0 H SER A 5 4.785 -5.752 -6.817 1.00 0.00 H new ATOM 0 HA SER A 5 4.340 -3.188 -7.968 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.474 -5.911 -9.353 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.804 -4.358 -10.094 1.00 0.00 H new ATOM 0 HG SER A 5 6.755 -5.428 -9.394 1.00 0.00 H new ATOM 102 N VAL A 6 1.858 -5.322 -8.270 1.00 0.00 N ATOM 103 CA VAL A 6 0.424 -5.390 -8.666 1.00 0.00 C ATOM 104 C VAL A 6 -0.355 -4.294 -7.947 1.00 0.00 C ATOM 105 O VAL A 6 -1.173 -3.614 -8.530 1.00 0.00 O ATOM 106 CB VAL A 6 -0.154 -6.750 -8.282 1.00 0.00 C ATOM 107 CG1 VAL A 6 -1.677 -6.715 -8.425 1.00 0.00 C ATOM 108 CG2 VAL A 6 0.421 -7.827 -9.205 1.00 0.00 C ATOM 0 H VAL A 6 2.226 -6.159 -7.817 1.00 0.00 H new ATOM 0 HA VAL A 6 0.344 -5.252 -9.744 1.00 0.00 H new ATOM 0 HB VAL A 6 0.109 -6.979 -7.249 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -2.091 -7.686 -8.151 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -2.087 -5.948 -7.768 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -1.940 -6.487 -9.458 1.00 0.00 H new ATOM 0 HG21 VAL A 6 0.009 -8.798 -8.932 1.00 0.00 H new ATOM 0 HG22 VAL A 6 0.158 -7.599 -10.238 1.00 0.00 H new ATOM 0 HG23 VAL A 6 1.506 -7.852 -9.104 1.00 0.00 H new ATOM 118 N ILE A 7 -0.106 -4.119 -6.683 1.00 0.00 N ATOM 119 CA ILE A 7 -0.833 -3.071 -5.921 1.00 0.00 C ATOM 120 C ILE A 7 -0.569 -1.703 -6.549 1.00 0.00 C ATOM 121 O ILE A 7 -1.480 -0.944 -6.817 1.00 0.00 O ATOM 122 CB ILE A 7 -0.330 -3.071 -4.478 1.00 0.00 C ATOM 123 CG1 ILE A 7 -0.564 -4.453 -3.861 1.00 0.00 C ATOM 124 CG2 ILE A 7 -1.088 -2.016 -3.672 1.00 0.00 C ATOM 125 CD1 ILE A 7 0.182 -4.555 -2.528 1.00 0.00 C ATOM 0 H ILE A 7 0.571 -4.658 -6.143 1.00 0.00 H new ATOM 0 HA ILE A 7 -1.903 -3.276 -5.943 1.00 0.00 H new ATOM 0 HB ILE A 7 0.735 -2.840 -4.463 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -1.630 -4.617 -3.706 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -0.218 -5.230 -4.543 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -0.729 -2.017 -2.643 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -0.923 -1.033 -4.113 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -2.154 -2.245 -3.684 1.00 0.00 H new ATOM 0 HD11 ILE A 7 0.014 -5.539 -2.091 1.00 0.00 H new ATOM 0 HD12 ILE A 7 1.249 -4.410 -2.696 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.185 -3.788 -1.846 1.00 0.00 H new ATOM 137 N ALA A 8 0.673 -1.379 -6.779 1.00 0.00 N ATOM 138 CA ALA A 8 1.005 -0.056 -7.381 1.00 0.00 C ATOM 139 C ALA A 8 0.431 0.060 -8.800 1.00 0.00 C ATOM 140 O ALA A 8 -0.100 1.084 -9.180 1.00 0.00 O ATOM 141 CB ALA A 8 2.524 0.106 -7.438 1.00 0.00 C ATOM 0 H ALA A 8 1.475 -1.975 -6.576 1.00 0.00 H new ATOM 0 HA ALA A 8 0.565 0.726 -6.763 1.00 0.00 H new ATOM 0 HB1 ALA A 8 2.771 1.072 -7.878 1.00 0.00 H new ATOM 0 HB2 ALA A 8 2.934 0.051 -6.429 1.00 0.00 H new ATOM 0 HB3 ALA A 8 2.952 -0.690 -8.048 1.00 0.00 H new ATOM 147 N GLN A 9 0.560 -0.966 -9.599 1.00 0.00 N ATOM 148 CA GLN A 9 0.047 -0.884 -11.000 1.00 0.00 C ATOM 149 C GLN A 9 -1.484 -0.841 -11.034 1.00 0.00 C ATOM 150 O GLN A 9 -2.070 -0.048 -11.742 1.00 0.00 O ATOM 151 CB GLN A 9 0.533 -2.101 -11.789 1.00 0.00 C ATOM 152 CG GLN A 9 2.054 -2.041 -11.936 1.00 0.00 C ATOM 153 CD GLN A 9 2.530 -3.209 -12.803 1.00 0.00 C ATOM 154 OE1 GLN A 9 1.660 -4.074 -13.244 1.00 0.00 O flip ATOM 155 NE2 GLN A 9 3.706 -3.334 -13.082 1.00 0.00 N flip ATOM 0 H GLN A 9 0.996 -1.853 -9.345 1.00 0.00 H new ATOM 0 HA GLN A 9 0.425 0.035 -11.447 1.00 0.00 H new ATOM 0 HB2 GLN A 9 0.243 -3.019 -11.277 1.00 0.00 H new ATOM 0 HB3 GLN A 9 0.063 -2.122 -12.772 1.00 0.00 H new ATOM 0 HG2 GLN A 9 2.349 -1.094 -12.389 1.00 0.00 H new ATOM 0 HG3 GLN A 9 2.527 -2.086 -10.955 1.00 0.00 H new ATOM 0 HE21 GLN A 9 4.387 -2.657 -12.737 1.00 0.00 H new ATOM 0 HE22 GLN A 9 4.012 -4.116 -13.661 1.00 0.00 H new ATOM 164 N PHE A 10 -2.139 -1.686 -10.294 1.00 0.00 N ATOM 165 CA PHE A 10 -3.631 -1.684 -10.317 1.00 0.00 C ATOM 166 C PHE A 10 -4.176 -0.427 -9.633 1.00 0.00 C ATOM 167 O PHE A 10 -5.062 0.230 -10.144 1.00 0.00 O ATOM 168 CB PHE A 10 -4.160 -2.940 -9.617 1.00 0.00 C ATOM 169 CG PHE A 10 -5.086 -2.550 -8.492 1.00 0.00 C ATOM 170 CD1 PHE A 10 -4.555 -2.185 -7.253 1.00 0.00 C ATOM 171 CD2 PHE A 10 -6.472 -2.563 -8.685 1.00 0.00 C ATOM 172 CE1 PHE A 10 -5.407 -1.828 -6.205 1.00 0.00 C ATOM 173 CE2 PHE A 10 -7.326 -2.205 -7.636 1.00 0.00 C ATOM 174 CZ PHE A 10 -6.793 -1.838 -6.394 1.00 0.00 C ATOM 0 H PHE A 10 -1.712 -2.376 -9.676 1.00 0.00 H new ATOM 0 HA PHE A 10 -3.968 -1.684 -11.354 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -4.688 -3.570 -10.332 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -3.328 -3.527 -9.228 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -3.485 -2.179 -7.105 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -6.882 -2.849 -9.642 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -4.995 -1.544 -5.248 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -8.396 -2.212 -7.784 1.00 0.00 H new ATOM 0 HZ PHE A 10 -7.451 -1.563 -5.583 1.00 0.00 H new ATOM 184 N VAL A 11 -3.667 -0.090 -8.482 1.00 0.00 N ATOM 185 CA VAL A 11 -4.173 1.120 -7.773 1.00 0.00 C ATOM 186 C VAL A 11 -3.914 2.365 -8.623 1.00 0.00 C ATOM 187 O VAL A 11 -4.740 3.251 -8.710 1.00 0.00 O ATOM 188 CB VAL A 11 -3.462 1.262 -6.425 1.00 0.00 C ATOM 189 CG1 VAL A 11 -2.050 1.807 -6.644 1.00 0.00 C ATOM 190 CG2 VAL A 11 -4.246 2.227 -5.534 1.00 0.00 C ATOM 0 H VAL A 11 -2.924 -0.598 -8.001 1.00 0.00 H new ATOM 0 HA VAL A 11 -5.245 1.015 -7.607 1.00 0.00 H new ATOM 0 HB VAL A 11 -3.403 0.286 -5.943 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -1.546 1.907 -5.683 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -1.489 1.120 -7.278 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -2.107 2.782 -7.127 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -3.740 2.328 -4.574 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -4.305 3.202 -6.018 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -5.252 1.839 -5.375 1.00 0.00 H new ATOM 200 N VAL A 12 -2.773 2.441 -9.252 1.00 0.00 N ATOM 201 CA VAL A 12 -2.466 3.631 -10.095 1.00 0.00 C ATOM 202 C VAL A 12 -3.457 3.714 -11.258 1.00 0.00 C ATOM 203 O VAL A 12 -3.955 4.772 -11.586 1.00 0.00 O ATOM 204 CB VAL A 12 -1.047 3.513 -10.645 1.00 0.00 C ATOM 205 CG1 VAL A 12 -0.821 4.590 -11.709 1.00 0.00 C ATOM 206 CG2 VAL A 12 -0.042 3.703 -9.507 1.00 0.00 C ATOM 0 H VAL A 12 -2.041 1.731 -9.219 1.00 0.00 H new ATOM 0 HA VAL A 12 -2.549 4.532 -9.487 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.911 2.527 -11.090 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.192 4.506 -12.102 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.537 4.456 -12.520 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.957 5.576 -11.264 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.972 3.619 -9.899 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -0.178 4.689 -9.062 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.202 2.937 -8.748 1.00 0.00 H new ATOM 216 N GLU A 13 -3.740 2.608 -11.891 1.00 0.00 N ATOM 217 CA GLU A 13 -4.689 2.632 -13.036 1.00 0.00 C ATOM 218 C GLU A 13 -6.092 3.005 -12.554 1.00 0.00 C ATOM 219 O GLU A 13 -6.825 3.699 -13.229 1.00 0.00 O ATOM 220 CB GLU A 13 -4.721 1.256 -13.692 1.00 0.00 C ATOM 221 CG GLU A 13 -3.397 1.001 -14.407 1.00 0.00 C ATOM 222 CD GLU A 13 -3.441 -0.364 -15.098 1.00 0.00 C ATOM 223 OE1 GLU A 13 -4.389 -1.094 -14.862 1.00 0.00 O ATOM 224 OE2 GLU A 13 -2.527 -0.654 -15.852 1.00 0.00 O ATOM 0 H GLU A 13 -3.355 1.691 -11.664 1.00 0.00 H new ATOM 0 HA GLU A 13 -4.358 3.377 -13.759 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -4.894 0.487 -12.939 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -5.546 1.199 -14.402 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -3.211 1.785 -15.141 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -2.574 1.032 -13.692 1.00 0.00 H new ATOM 231 N GLU A 14 -6.477 2.543 -11.398 1.00 0.00 N ATOM 232 CA GLU A 14 -7.838 2.867 -10.884 1.00 0.00 C ATOM 233 C GLU A 14 -7.951 4.366 -10.603 1.00 0.00 C ATOM 234 O GLU A 14 -8.970 4.979 -10.854 1.00 0.00 O ATOM 235 CB GLU A 14 -8.090 2.084 -9.592 1.00 0.00 C ATOM 236 CG GLU A 14 -9.533 2.299 -9.130 1.00 0.00 C ATOM 237 CD GLU A 14 -9.758 1.569 -7.804 1.00 0.00 C ATOM 238 OE1 GLU A 14 -8.809 0.989 -7.303 1.00 0.00 O ATOM 239 OE2 GLU A 14 -10.874 1.603 -7.314 1.00 0.00 O ATOM 0 H GLU A 14 -5.910 1.956 -10.787 1.00 0.00 H new ATOM 0 HA GLU A 14 -8.579 2.591 -11.634 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -7.905 1.023 -9.757 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -7.397 2.411 -8.816 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -9.733 3.364 -9.010 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -10.227 1.928 -9.884 1.00 0.00 H new ATOM 246 N PHE A 15 -6.920 4.960 -10.070 1.00 0.00 N ATOM 247 CA PHE A 15 -6.980 6.417 -9.758 1.00 0.00 C ATOM 248 C PHE A 15 -6.412 7.245 -10.916 1.00 0.00 C ATOM 249 O PHE A 15 -7.028 8.190 -11.367 1.00 0.00 O ATOM 250 CB PHE A 15 -6.174 6.695 -8.488 1.00 0.00 C ATOM 251 CG PHE A 15 -6.337 8.142 -8.093 1.00 0.00 C ATOM 252 CD1 PHE A 15 -7.500 8.562 -7.435 1.00 0.00 C ATOM 253 CD2 PHE A 15 -5.324 9.063 -8.380 1.00 0.00 C ATOM 254 CE1 PHE A 15 -7.649 9.905 -7.066 1.00 0.00 C ATOM 255 CE2 PHE A 15 -5.473 10.406 -8.012 1.00 0.00 C ATOM 256 CZ PHE A 15 -6.635 10.826 -7.354 1.00 0.00 C ATOM 0 H PHE A 15 -6.039 4.501 -9.837 1.00 0.00 H new ATOM 0 HA PHE A 15 -8.022 6.700 -9.609 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -6.513 6.046 -7.680 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -5.121 6.470 -8.657 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -8.282 7.851 -7.212 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -4.427 8.738 -8.886 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -8.546 10.230 -6.559 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -4.692 11.117 -8.236 1.00 0.00 H new ATOM 0 HZ PHE A 15 -6.749 11.861 -7.068 1.00 0.00 H new ATOM 266 N LEU A 16 -5.236 6.915 -11.384 1.00 0.00 N ATOM 267 CA LEU A 16 -4.623 7.703 -12.492 1.00 0.00 C ATOM 268 C LEU A 16 -4.362 6.806 -13.710 1.00 0.00 C ATOM 269 O LEU A 16 -3.252 6.364 -13.927 1.00 0.00 O ATOM 270 CB LEU A 16 -3.295 8.280 -12.005 1.00 0.00 C ATOM 271 CG LEU A 16 -3.520 9.700 -11.492 1.00 0.00 C ATOM 272 CD1 LEU A 16 -2.356 10.109 -10.587 1.00 0.00 C ATOM 273 CD2 LEU A 16 -3.607 10.664 -12.678 1.00 0.00 C ATOM 0 H LEU A 16 -4.674 6.134 -11.046 1.00 0.00 H new ATOM 0 HA LEU A 16 -5.306 8.501 -12.783 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.883 7.656 -11.212 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.568 8.285 -12.817 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.450 9.736 -10.925 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.518 11.123 -10.222 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.295 9.424 -9.741 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.425 10.072 -11.153 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.768 11.678 -12.312 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.678 10.626 -13.246 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -4.438 10.375 -13.322 1.00 0.00 H new ATOM 285 N PRO A 17 -5.371 6.543 -14.506 1.00 0.00 N ATOM 286 CA PRO A 17 -5.221 5.689 -15.721 1.00 0.00 C ATOM 287 C PRO A 17 -4.383 6.367 -16.810 1.00 0.00 C ATOM 288 O PRO A 17 -3.947 5.734 -17.752 1.00 0.00 O ATOM 289 CB PRO A 17 -6.653 5.457 -16.205 1.00 0.00 C ATOM 290 CG PRO A 17 -7.483 6.537 -15.592 1.00 0.00 C ATOM 291 CD PRO A 17 -6.755 7.022 -14.339 1.00 0.00 C ATOM 0 HA PRO A 17 -4.695 4.762 -15.492 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -6.707 5.496 -17.293 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -7.011 4.473 -15.903 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -7.624 7.358 -16.295 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -8.474 6.161 -15.338 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -6.791 8.108 -14.254 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -7.209 6.617 -13.435 1.00 0.00 H new ATOM 299 N ASP A 18 -4.161 7.648 -16.696 1.00 0.00 N ATOM 300 CA ASP A 18 -3.361 8.359 -17.729 1.00 0.00 C ATOM 301 C ASP A 18 -1.893 8.447 -17.300 1.00 0.00 C ATOM 302 O ASP A 18 -1.095 9.103 -17.940 1.00 0.00 O ATOM 303 CB ASP A 18 -3.924 9.765 -17.910 1.00 0.00 C ATOM 304 CG ASP A 18 -5.314 9.685 -18.543 1.00 0.00 C ATOM 305 OD1 ASP A 18 -5.672 8.612 -19.002 1.00 0.00 O ATOM 306 OD2 ASP A 18 -5.996 10.695 -18.559 1.00 0.00 O ATOM 0 H ASP A 18 -4.500 8.232 -15.931 1.00 0.00 H new ATOM 0 HA ASP A 18 -3.417 7.809 -18.668 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -3.981 10.271 -16.946 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -3.260 10.355 -18.541 1.00 0.00 H new ATOM 311 N VAL A 19 -1.530 7.797 -16.224 1.00 0.00 N ATOM 312 CA VAL A 19 -0.110 7.853 -15.758 1.00 0.00 C ATOM 313 C VAL A 19 0.491 6.446 -15.758 1.00 0.00 C ATOM 314 O VAL A 19 -0.127 5.495 -15.322 1.00 0.00 O ATOM 315 CB VAL A 19 -0.058 8.423 -14.342 1.00 0.00 C ATOM 316 CG1 VAL A 19 1.399 8.600 -13.915 1.00 0.00 C ATOM 317 CG2 VAL A 19 -0.765 9.779 -14.312 1.00 0.00 C ATOM 0 H VAL A 19 -2.153 7.231 -15.648 1.00 0.00 H new ATOM 0 HA VAL A 19 0.462 8.492 -16.431 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.556 7.737 -13.657 1.00 0.00 H new ATOM 0 HG11 VAL A 19 1.435 9.007 -12.904 1.00 0.00 H new ATOM 0 HG12 VAL A 19 1.904 7.634 -13.936 1.00 0.00 H new ATOM 0 HG13 VAL A 19 1.898 9.285 -14.600 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.728 10.186 -13.302 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.267 10.464 -14.998 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -1.805 9.654 -14.615 1.00 0.00 H new ATOM 327 N ALA A 20 1.699 6.309 -16.236 1.00 0.00 N ATOM 328 CA ALA A 20 2.346 4.967 -16.257 1.00 0.00 C ATOM 329 C ALA A 20 2.869 4.638 -14.846 1.00 0.00 C ATOM 330 O ALA A 20 3.724 5.334 -14.334 1.00 0.00 O ATOM 331 CB ALA A 20 3.523 4.995 -17.234 1.00 0.00 C ATOM 0 H ALA A 20 2.265 7.069 -16.613 1.00 0.00 H new ATOM 0 HA ALA A 20 1.624 4.212 -16.569 1.00 0.00 H new ATOM 0 HB1 ALA A 20 4.002 4.016 -17.255 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.162 5.244 -18.232 1.00 0.00 H new ATOM 0 HB3 ALA A 20 4.245 5.745 -16.912 1.00 0.00 H new ATOM 337 N PRO A 21 2.378 3.593 -14.212 1.00 0.00 N ATOM 338 CA PRO A 21 2.841 3.214 -12.844 1.00 0.00 C ATOM 339 C PRO A 21 4.366 3.105 -12.758 1.00 0.00 C ATOM 340 O PRO A 21 4.953 3.301 -11.712 1.00 0.00 O ATOM 341 CB PRO A 21 2.209 1.845 -12.594 1.00 0.00 C ATOM 342 CG PRO A 21 1.053 1.741 -13.534 1.00 0.00 C ATOM 343 CD PRO A 21 1.339 2.674 -14.710 1.00 0.00 C ATOM 0 HA PRO A 21 2.554 3.966 -12.109 1.00 0.00 H new ATOM 0 HB2 PRO A 21 2.929 1.046 -12.772 1.00 0.00 H new ATOM 0 HB3 PRO A 21 1.879 1.752 -11.559 1.00 0.00 H new ATOM 0 HG2 PRO A 21 0.929 0.714 -13.879 1.00 0.00 H new ATOM 0 HG3 PRO A 21 0.126 2.024 -13.036 1.00 0.00 H new ATOM 0 HD2 PRO A 21 1.686 2.119 -15.581 1.00 0.00 H new ATOM 0 HD3 PRO A 21 0.443 3.216 -15.013 1.00 0.00 H new ATOM 351 N ALA A 22 5.012 2.792 -13.847 1.00 0.00 N ATOM 352 CA ALA A 22 6.496 2.671 -13.821 1.00 0.00 C ATOM 353 C ALA A 22 7.109 4.036 -13.507 1.00 0.00 C ATOM 354 O ALA A 22 8.193 4.133 -12.969 1.00 0.00 O ATOM 355 CB ALA A 22 6.993 2.189 -15.186 1.00 0.00 C ATOM 0 H ALA A 22 4.577 2.615 -14.752 1.00 0.00 H new ATOM 0 HA ALA A 22 6.791 1.954 -13.055 1.00 0.00 H new ATOM 0 HB1 ALA A 22 8.079 2.100 -15.167 1.00 0.00 H new ATOM 0 HB2 ALA A 22 6.553 1.217 -15.411 1.00 0.00 H new ATOM 0 HB3 ALA A 22 6.701 2.906 -15.953 1.00 0.00 H new ATOM 361 N ASP A 23 6.422 5.093 -13.843 1.00 0.00 N ATOM 362 CA ASP A 23 6.964 6.453 -13.570 1.00 0.00 C ATOM 363 C ASP A 23 6.679 6.840 -12.116 1.00 0.00 C ATOM 364 O ASP A 23 6.977 7.940 -11.693 1.00 0.00 O ATOM 365 CB ASP A 23 6.298 7.464 -14.506 1.00 0.00 C ATOM 366 CG ASP A 23 6.957 8.834 -14.330 1.00 0.00 C ATOM 367 OD1 ASP A 23 7.933 8.910 -13.602 1.00 0.00 O ATOM 368 OD2 ASP A 23 6.475 9.782 -14.927 1.00 0.00 O ATOM 0 H ASP A 23 5.508 5.073 -14.295 1.00 0.00 H new ATOM 0 HA ASP A 23 8.041 6.453 -13.739 1.00 0.00 H new ATOM 0 HB2 ASP A 23 6.391 7.134 -15.541 1.00 0.00 H new ATOM 0 HB3 ASP A 23 5.232 7.531 -14.288 1.00 0.00 H new ATOM 373 N VAL A 24 6.105 5.951 -11.349 1.00 0.00 N ATOM 374 CA VAL A 24 5.804 6.280 -9.925 1.00 0.00 C ATOM 375 C VAL A 24 6.732 5.486 -9.010 1.00 0.00 C ATOM 376 O VAL A 24 6.835 4.280 -9.112 1.00 0.00 O ATOM 377 CB VAL A 24 4.362 5.892 -9.604 1.00 0.00 C ATOM 378 CG1 VAL A 24 3.954 6.508 -8.264 1.00 0.00 C ATOM 379 CG2 VAL A 24 3.433 6.399 -10.708 1.00 0.00 C ATOM 0 H VAL A 24 5.832 5.014 -11.646 1.00 0.00 H new ATOM 0 HA VAL A 24 5.948 7.349 -9.770 1.00 0.00 H new ATOM 0 HB VAL A 24 4.285 4.806 -9.542 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.925 6.231 -8.035 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.613 6.139 -7.478 1.00 0.00 H new ATOM 0 HG13 VAL A 24 4.033 7.593 -8.323 1.00 0.00 H new ATOM 0 HG21 VAL A 24 2.405 6.120 -10.475 1.00 0.00 H new ATOM 0 HG22 VAL A 24 3.508 7.484 -10.777 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.723 5.954 -11.660 1.00 0.00 H new ATOM 389 N ASP A 25 7.395 6.145 -8.104 1.00 0.00 N ATOM 390 CA ASP A 25 8.295 5.413 -7.176 1.00 0.00 C ATOM 391 C ASP A 25 7.503 4.994 -5.938 1.00 0.00 C ATOM 392 O ASP A 25 6.968 5.822 -5.228 1.00 0.00 O ATOM 393 CB ASP A 25 9.446 6.328 -6.755 1.00 0.00 C ATOM 394 CG ASP A 25 10.317 6.648 -7.971 1.00 0.00 C ATOM 395 OD1 ASP A 25 10.160 5.980 -8.980 1.00 0.00 O ATOM 396 OD2 ASP A 25 11.127 7.555 -7.873 1.00 0.00 O ATOM 0 H ASP A 25 7.353 7.155 -7.967 1.00 0.00 H new ATOM 0 HA ASP A 25 8.696 4.530 -7.674 1.00 0.00 H new ATOM 0 HB2 ASP A 25 9.053 7.249 -6.324 1.00 0.00 H new ATOM 0 HB3 ASP A 25 10.045 5.845 -5.983 1.00 0.00 H new ATOM 401 N VAL A 26 7.428 3.721 -5.663 1.00 0.00 N ATOM 402 CA VAL A 26 6.676 3.277 -4.460 1.00 0.00 C ATOM 403 C VAL A 26 7.462 3.673 -3.209 1.00 0.00 C ATOM 404 O VAL A 26 7.081 3.361 -2.098 1.00 0.00 O ATOM 405 CB VAL A 26 6.503 1.758 -4.497 1.00 0.00 C ATOM 406 CG1 VAL A 26 5.718 1.359 -5.746 1.00 0.00 C ATOM 407 CG2 VAL A 26 7.878 1.087 -4.524 1.00 0.00 C ATOM 0 H VAL A 26 7.852 2.976 -6.215 1.00 0.00 H new ATOM 0 HA VAL A 26 5.694 3.749 -4.443 1.00 0.00 H new ATOM 0 HB VAL A 26 5.958 1.437 -3.610 1.00 0.00 H new ATOM 0 HG11 VAL A 26 5.597 0.276 -5.769 1.00 0.00 H new ATOM 0 HG12 VAL A 26 4.737 1.834 -5.726 1.00 0.00 H new ATOM 0 HG13 VAL A 26 6.260 1.682 -6.635 1.00 0.00 H new ATOM 0 HG21 VAL A 26 7.754 0.004 -4.550 1.00 0.00 H new ATOM 0 HG22 VAL A 26 8.424 1.411 -5.410 1.00 0.00 H new ATOM 0 HG23 VAL A 26 8.437 1.367 -3.631 1.00 0.00 H new ATOM 417 N ASP A 27 8.553 4.370 -3.383 1.00 0.00 N ATOM 418 CA ASP A 27 9.362 4.802 -2.214 1.00 0.00 C ATOM 419 C ASP A 27 8.901 6.192 -1.775 1.00 0.00 C ATOM 420 O ASP A 27 9.342 6.721 -0.774 1.00 0.00 O ATOM 421 CB ASP A 27 10.836 4.854 -2.616 1.00 0.00 C ATOM 422 CG ASP A 27 11.342 3.437 -2.890 1.00 0.00 C ATOM 423 OD1 ASP A 27 10.636 2.501 -2.551 1.00 0.00 O ATOM 424 OD2 ASP A 27 12.427 3.312 -3.434 1.00 0.00 O ATOM 0 H ASP A 27 8.918 4.659 -4.291 1.00 0.00 H new ATOM 0 HA ASP A 27 9.235 4.098 -1.391 1.00 0.00 H new ATOM 0 HB2 ASP A 27 10.960 5.474 -3.504 1.00 0.00 H new ATOM 0 HB3 ASP A 27 11.424 5.314 -1.822 1.00 0.00 H new ATOM 429 N LEU A 28 8.010 6.783 -2.521 1.00 0.00 N ATOM 430 CA LEU A 28 7.504 8.137 -2.164 1.00 0.00 C ATOM 431 C LEU A 28 6.191 7.990 -1.399 1.00 0.00 C ATOM 432 O LEU A 28 5.377 7.143 -1.707 1.00 0.00 O ATOM 433 CB LEU A 28 7.269 8.947 -3.440 1.00 0.00 C ATOM 434 CG LEU A 28 6.825 10.366 -3.077 1.00 0.00 C ATOM 435 CD1 LEU A 28 7.979 11.118 -2.408 1.00 0.00 C ATOM 436 CD2 LEU A 28 6.408 11.107 -4.350 1.00 0.00 C ATOM 0 H LEU A 28 7.608 6.383 -3.369 1.00 0.00 H new ATOM 0 HA LEU A 28 8.235 8.654 -1.542 1.00 0.00 H new ATOM 0 HB2 LEU A 28 8.183 8.982 -4.033 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.509 8.464 -4.054 1.00 0.00 H new ATOM 0 HG LEU A 28 5.983 10.314 -2.387 1.00 0.00 H new ATOM 0 HD11 LEU A 28 7.656 12.127 -2.152 1.00 0.00 H new ATOM 0 HD12 LEU A 28 8.279 10.592 -1.501 1.00 0.00 H new ATOM 0 HD13 LEU A 28 8.825 11.171 -3.093 1.00 0.00 H new ATOM 0 HD21 LEU A 28 6.091 12.118 -4.095 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.253 11.154 -5.037 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.583 10.577 -4.826 1.00 0.00 H new ATOM 448 N ASP A 29 5.979 8.797 -0.398 1.00 0.00 N ATOM 449 CA ASP A 29 4.719 8.677 0.380 1.00 0.00 C ATOM 450 C ASP A 29 3.523 8.867 -0.553 1.00 0.00 C ATOM 451 O ASP A 29 3.444 9.819 -1.303 1.00 0.00 O ATOM 452 CB ASP A 29 4.688 9.740 1.480 1.00 0.00 C ATOM 453 CG ASP A 29 5.789 9.449 2.502 1.00 0.00 C ATOM 454 OD1 ASP A 29 6.336 8.360 2.459 1.00 0.00 O ATOM 455 OD2 ASP A 29 6.067 10.321 3.308 1.00 0.00 O ATOM 0 H ASP A 29 6.619 9.528 -0.088 1.00 0.00 H new ATOM 0 HA ASP A 29 4.669 7.688 0.836 1.00 0.00 H new ATOM 0 HB2 ASP A 29 4.831 10.730 1.048 1.00 0.00 H new ATOM 0 HB3 ASP A 29 3.714 9.744 1.970 1.00 0.00 H new ATOM 460 N LEU A 30 2.597 7.951 -0.514 1.00 0.00 N ATOM 461 CA LEU A 30 1.400 8.042 -1.395 1.00 0.00 C ATOM 462 C LEU A 30 0.529 9.236 -1.000 1.00 0.00 C ATOM 463 O LEU A 30 -0.059 9.890 -1.837 1.00 0.00 O ATOM 464 CB LEU A 30 0.586 6.755 -1.256 1.00 0.00 C ATOM 465 CG LEU A 30 -0.590 6.783 -2.232 1.00 0.00 C ATOM 466 CD1 LEU A 30 -0.065 6.797 -3.669 1.00 0.00 C ATOM 467 CD2 LEU A 30 -1.452 5.536 -2.021 1.00 0.00 C ATOM 0 H LEU A 30 2.619 7.135 0.097 1.00 0.00 H new ATOM 0 HA LEU A 30 1.726 8.176 -2.426 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.218 5.890 -1.457 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.221 6.652 -0.234 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.187 7.678 -2.055 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -0.905 6.817 -4.363 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.553 7.682 -3.822 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.532 5.902 -3.847 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.292 5.553 -2.716 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.851 4.644 -2.199 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -1.827 5.522 -0.998 1.00 0.00 H new ATOM 479 N VAL A 31 0.418 9.515 0.266 1.00 0.00 N ATOM 480 CA VAL A 31 -0.439 10.654 0.703 1.00 0.00 C ATOM 481 C VAL A 31 0.109 11.977 0.171 1.00 0.00 C ATOM 482 O VAL A 31 -0.638 12.869 -0.175 1.00 0.00 O ATOM 483 CB VAL A 31 -0.497 10.707 2.223 1.00 0.00 C ATOM 484 CG1 VAL A 31 -1.240 11.974 2.645 1.00 0.00 C ATOM 485 CG2 VAL A 31 -1.246 9.477 2.738 1.00 0.00 C ATOM 0 H VAL A 31 0.882 9.006 1.018 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.441 10.501 0.303 1.00 0.00 H new ATOM 0 HB VAL A 31 0.511 10.718 2.638 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.288 12.023 3.733 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.712 12.849 2.266 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.251 11.956 2.238 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.292 9.508 3.827 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -2.258 9.471 2.333 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.723 8.574 2.422 1.00 0.00 H new ATOM 495 N ASP A 32 1.400 12.120 0.101 1.00 0.00 N ATOM 496 CA ASP A 32 1.962 13.398 -0.411 1.00 0.00 C ATOM 497 C ASP A 32 1.312 13.698 -1.760 1.00 0.00 C ATOM 498 O ASP A 32 1.079 14.835 -2.116 1.00 0.00 O ATOM 499 CB ASP A 32 3.476 13.263 -0.588 1.00 0.00 C ATOM 500 CG ASP A 32 4.079 14.634 -0.902 1.00 0.00 C ATOM 501 OD1 ASP A 32 3.341 15.604 -0.870 1.00 0.00 O ATOM 502 OD2 ASP A 32 5.268 14.688 -1.170 1.00 0.00 O ATOM 0 H ASP A 32 2.085 11.415 0.373 1.00 0.00 H new ATOM 0 HA ASP A 32 1.762 14.206 0.293 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.924 12.856 0.319 1.00 0.00 H new ATOM 0 HB3 ASP A 32 3.697 12.564 -1.394 1.00 0.00 H new ATOM 507 N ASN A 33 1.011 12.673 -2.504 1.00 0.00 N ATOM 508 CA ASN A 33 0.365 12.866 -3.828 1.00 0.00 C ATOM 509 C ASN A 33 -1.086 13.320 -3.648 1.00 0.00 C ATOM 510 O ASN A 33 -1.611 14.079 -4.437 1.00 0.00 O ATOM 511 CB ASN A 33 0.374 11.537 -4.575 1.00 0.00 C ATOM 512 CG ASN A 33 1.810 11.170 -4.957 1.00 0.00 C ATOM 513 OD1 ASN A 33 2.686 12.011 -4.951 1.00 0.00 O ATOM 514 ND2 ASN A 33 2.088 9.939 -5.290 1.00 0.00 N ATOM 0 H ASN A 33 1.187 11.701 -2.248 1.00 0.00 H new ATOM 0 HA ASN A 33 0.911 13.626 -4.387 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -0.058 10.755 -3.951 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -0.244 11.608 -5.470 1.00 0.00 H new ATOM 0 HD21 ASN A 33 3.042 9.683 -5.545 1.00 0.00 H new ATOM 0 HD22 ASN A 33 1.352 9.233 -5.295 1.00 0.00 H new ATOM 521 N GLY A 34 -1.742 12.846 -2.626 1.00 0.00 N ATOM 522 CA GLY A 34 -3.166 13.233 -2.407 1.00 0.00 C ATOM 523 C GLY A 34 -4.056 12.274 -3.190 1.00 0.00 C ATOM 524 O GLY A 34 -5.261 12.419 -3.238 1.00 0.00 O ATOM 0 H GLY A 34 -1.355 12.207 -1.932 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.410 13.194 -1.345 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.334 14.259 -2.735 1.00 0.00 H new ATOM 528 N VAL A 35 -3.465 11.281 -3.794 1.00 0.00 N ATOM 529 CA VAL A 35 -4.263 10.293 -4.564 1.00 0.00 C ATOM 530 C VAL A 35 -5.255 9.631 -3.615 1.00 0.00 C ATOM 531 O VAL A 35 -6.328 9.214 -4.006 1.00 0.00 O ATOM 532 CB VAL A 35 -3.328 9.233 -5.155 1.00 0.00 C ATOM 533 CG1 VAL A 35 -4.156 8.103 -5.769 1.00 0.00 C ATOM 534 CG2 VAL A 35 -2.458 9.872 -6.238 1.00 0.00 C ATOM 0 H VAL A 35 -2.459 11.113 -3.786 1.00 0.00 H new ATOM 0 HA VAL A 35 -4.797 10.788 -5.375 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.693 8.829 -4.366 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.489 7.350 -6.189 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -4.778 7.648 -4.998 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.792 8.505 -6.558 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -1.792 9.120 -6.660 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.095 10.276 -7.025 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -1.866 10.677 -5.802 1.00 0.00 H new ATOM 544 N ILE A 36 -4.898 9.532 -2.365 1.00 0.00 N ATOM 545 CA ILE A 36 -5.809 8.897 -1.378 1.00 0.00 C ATOM 546 C ILE A 36 -6.754 9.950 -0.800 1.00 0.00 C ATOM 547 O ILE A 36 -6.345 11.023 -0.401 1.00 0.00 O ATOM 548 CB ILE A 36 -4.983 8.289 -0.248 1.00 0.00 C ATOM 549 CG1 ILE A 36 -3.977 7.301 -0.829 1.00 0.00 C ATOM 550 CG2 ILE A 36 -5.902 7.548 0.716 1.00 0.00 C ATOM 551 CD1 ILE A 36 -3.015 6.854 0.271 1.00 0.00 C ATOM 0 H ILE A 36 -4.012 9.865 -1.985 1.00 0.00 H new ATOM 0 HA ILE A 36 -6.391 8.118 -1.871 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.459 9.085 0.281 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.497 6.438 -1.246 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.424 7.765 -1.645 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.310 7.115 1.522 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -6.629 8.245 1.134 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -6.425 6.754 0.183 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.294 6.148 -0.141 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -2.487 7.721 0.667 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.577 6.374 1.072 1.00 0.00 H new ATOM 563 N ASP A 37 -8.016 9.643 -0.755 1.00 0.00 N ATOM 564 CA ASP A 37 -9.012 10.602 -0.206 1.00 0.00 C ATOM 565 C ASP A 37 -10.025 9.834 0.647 1.00 0.00 C ATOM 566 O ASP A 37 -9.771 8.724 1.074 1.00 0.00 O ATOM 567 CB ASP A 37 -9.738 11.297 -1.360 1.00 0.00 C ATOM 568 CG ASP A 37 -10.511 12.505 -0.829 1.00 0.00 C ATOM 569 OD1 ASP A 37 -10.366 12.806 0.345 1.00 0.00 O ATOM 570 OD2 ASP A 37 -11.234 13.110 -1.604 1.00 0.00 O ATOM 0 H ASP A 37 -8.406 8.758 -1.079 1.00 0.00 H new ATOM 0 HA ASP A 37 -8.508 11.350 0.406 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -9.019 11.616 -2.115 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -10.422 10.600 -1.845 1.00 0.00 H new ATOM 575 N ALA A 38 -11.168 10.406 0.897 1.00 0.00 N ATOM 576 CA ALA A 38 -12.189 9.696 1.720 1.00 0.00 C ATOM 577 C ALA A 38 -12.659 8.460 0.958 1.00 0.00 C ATOM 578 O ALA A 38 -12.592 7.349 1.447 1.00 0.00 O ATOM 579 CB ALA A 38 -13.378 10.624 1.977 1.00 0.00 C ATOM 0 H ALA A 38 -11.441 11.332 0.569 1.00 0.00 H new ATOM 0 HA ALA A 38 -11.756 9.401 2.676 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -14.123 10.103 2.579 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -13.038 11.512 2.510 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -13.822 10.919 1.026 1.00 0.00 H new ATOM 585 N LEU A 39 -13.104 8.642 -0.252 1.00 0.00 N ATOM 586 CA LEU A 39 -13.544 7.483 -1.064 1.00 0.00 C ATOM 587 C LEU A 39 -12.302 6.678 -1.416 1.00 0.00 C ATOM 588 O LEU A 39 -12.333 5.468 -1.525 1.00 0.00 O ATOM 589 CB LEU A 39 -14.226 7.970 -2.342 1.00 0.00 C ATOM 590 CG LEU A 39 -15.574 8.602 -1.996 1.00 0.00 C ATOM 591 CD1 LEU A 39 -15.356 9.929 -1.262 1.00 0.00 C ATOM 592 CD2 LEU A 39 -16.361 8.858 -3.284 1.00 0.00 C ATOM 0 H LEU A 39 -13.181 9.549 -0.713 1.00 0.00 H new ATOM 0 HA LEU A 39 -14.256 6.873 -0.509 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -13.592 8.697 -2.850 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -14.370 7.137 -3.030 1.00 0.00 H new ATOM 0 HG LEU A 39 -16.133 7.923 -1.352 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -16.321 10.373 -1.019 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -14.798 9.749 -0.343 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -14.794 10.610 -1.901 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -17.323 9.309 -3.039 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -15.797 9.534 -3.927 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -16.525 7.914 -3.804 1.00 0.00 H new ATOM 604 N GLY A 40 -11.201 7.356 -1.585 1.00 0.00 N ATOM 605 CA GLY A 40 -9.938 6.659 -1.920 1.00 0.00 C ATOM 606 C GLY A 40 -9.611 5.662 -0.811 1.00 0.00 C ATOM 607 O GLY A 40 -9.245 4.530 -1.062 1.00 0.00 O ATOM 0 H GLY A 40 -11.126 8.370 -1.504 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -10.035 6.142 -2.875 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -9.128 7.380 -2.029 1.00 0.00 H new ATOM 611 N LEU A 41 -9.757 6.073 0.416 1.00 0.00 N ATOM 612 CA LEU A 41 -9.476 5.154 1.550 1.00 0.00 C ATOM 613 C LEU A 41 -10.479 4.004 1.530 1.00 0.00 C ATOM 614 O LEU A 41 -10.136 2.856 1.739 1.00 0.00 O ATOM 615 CB LEU A 41 -9.603 5.927 2.863 1.00 0.00 C ATOM 616 CG LEU A 41 -9.636 4.947 4.034 1.00 0.00 C ATOM 617 CD1 LEU A 41 -8.866 5.543 5.213 1.00 0.00 C ATOM 618 CD2 LEU A 41 -11.091 4.695 4.451 1.00 0.00 C ATOM 0 H LEU A 41 -10.060 7.010 0.683 1.00 0.00 H new ATOM 0 HA LEU A 41 -8.467 4.752 1.460 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.764 6.614 2.975 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -10.511 6.530 2.855 1.00 0.00 H new ATOM 0 HG LEU A 41 -9.177 4.005 3.734 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -8.887 4.846 6.051 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.832 5.724 4.918 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -9.329 6.484 5.511 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -11.114 3.996 5.287 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -11.551 5.636 4.753 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -11.643 4.274 3.610 1.00 0.00 H new ATOM 630 N LEU A 42 -11.722 4.302 1.274 1.00 0.00 N ATOM 631 CA LEU A 42 -12.746 3.227 1.237 1.00 0.00 C ATOM 632 C LEU A 42 -12.372 2.210 0.164 1.00 0.00 C ATOM 633 O LEU A 42 -12.431 1.016 0.376 1.00 0.00 O ATOM 634 CB LEU A 42 -14.112 3.843 0.914 1.00 0.00 C ATOM 635 CG LEU A 42 -15.115 2.744 0.547 1.00 0.00 C ATOM 636 CD1 LEU A 42 -15.160 1.685 1.649 1.00 0.00 C ATOM 637 CD2 LEU A 42 -16.504 3.361 0.382 1.00 0.00 C ATOM 0 H LEU A 42 -12.071 5.243 1.089 1.00 0.00 H new ATOM 0 HA LEU A 42 -12.793 2.728 2.205 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -14.477 4.407 1.773 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -14.015 4.548 0.088 1.00 0.00 H new ATOM 0 HG LEU A 42 -14.804 2.275 -0.387 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -15.876 0.909 1.379 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -14.171 1.242 1.768 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -15.465 2.149 2.587 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -17.220 2.581 0.121 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -16.806 3.832 1.317 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -16.478 4.110 -0.410 1.00 0.00 H new ATOM 649 N LYS A 43 -11.979 2.670 -0.986 1.00 0.00 N ATOM 650 CA LYS A 43 -11.602 1.722 -2.060 1.00 0.00 C ATOM 651 C LYS A 43 -10.402 0.885 -1.609 1.00 0.00 C ATOM 652 O LYS A 43 -10.274 -0.273 -1.954 1.00 0.00 O ATOM 653 CB LYS A 43 -11.240 2.499 -3.324 1.00 0.00 C ATOM 654 CG LYS A 43 -12.483 3.200 -3.874 1.00 0.00 C ATOM 655 CD LYS A 43 -12.136 3.891 -5.196 1.00 0.00 C ATOM 656 CE LYS A 43 -13.348 4.682 -5.692 1.00 0.00 C ATOM 657 NZ LYS A 43 -12.986 6.123 -5.809 1.00 0.00 N ATOM 0 H LYS A 43 -11.903 3.658 -1.227 1.00 0.00 H new ATOM 0 HA LYS A 43 -12.443 1.061 -2.271 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -10.466 3.233 -3.102 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -10.831 1.822 -4.074 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -13.283 2.476 -4.029 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -12.850 3.932 -3.154 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -11.285 4.558 -5.058 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -11.843 3.150 -5.940 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -13.675 4.299 -6.658 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -14.183 4.560 -5.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -13.809 6.662 -6.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -12.693 6.484 -4.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -12.202 6.230 -6.484 1.00 0.00 H new ATOM 671 N VAL A 44 -9.516 1.467 -0.845 1.00 0.00 N ATOM 672 CA VAL A 44 -8.319 0.711 -0.381 1.00 0.00 C ATOM 673 C VAL A 44 -8.752 -0.498 0.452 1.00 0.00 C ATOM 674 O VAL A 44 -8.314 -1.608 0.227 1.00 0.00 O ATOM 675 CB VAL A 44 -7.440 1.628 0.471 1.00 0.00 C ATOM 676 CG1 VAL A 44 -6.346 0.801 1.149 1.00 0.00 C ATOM 677 CG2 VAL A 44 -6.792 2.687 -0.426 1.00 0.00 C ATOM 0 H VAL A 44 -9.571 2.433 -0.523 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.757 0.363 -1.248 1.00 0.00 H new ATOM 0 HB VAL A 44 -8.052 2.115 1.230 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.720 1.454 1.756 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -6.804 0.044 1.785 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.734 0.315 0.389 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -6.165 3.342 0.179 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -6.180 2.197 -1.184 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -7.569 3.277 -0.913 1.00 0.00 H new ATOM 687 N ILE A 45 -9.603 -0.290 1.416 1.00 0.00 N ATOM 688 CA ILE A 45 -10.062 -1.419 2.271 1.00 0.00 C ATOM 689 C ILE A 45 -10.938 -2.398 1.477 1.00 0.00 C ATOM 690 O ILE A 45 -10.934 -3.585 1.733 1.00 0.00 O ATOM 691 CB ILE A 45 -10.875 -0.860 3.440 1.00 0.00 C ATOM 692 CG1 ILE A 45 -9.952 -0.125 4.421 1.00 0.00 C ATOM 693 CG2 ILE A 45 -11.568 -2.009 4.163 1.00 0.00 C ATOM 694 CD1 ILE A 45 -9.725 1.312 3.948 1.00 0.00 C ATOM 0 H ILE A 45 -10.003 0.619 1.650 1.00 0.00 H new ATOM 0 HA ILE A 45 -9.185 -1.956 2.633 1.00 0.00 H new ATOM 0 HB ILE A 45 -11.617 -0.159 3.058 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -10.394 -0.123 5.417 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -8.998 -0.647 4.496 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -12.149 -1.616 4.997 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -12.232 -2.527 3.471 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -10.820 -2.707 4.539 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -9.069 1.827 4.650 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -9.263 1.301 2.961 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -10.681 1.833 3.896 1.00 0.00 H new ATOM 706 N ALA A 46 -11.719 -1.914 0.550 1.00 0.00 N ATOM 707 CA ALA A 46 -12.623 -2.829 -0.213 1.00 0.00 C ATOM 708 C ALA A 46 -11.832 -3.817 -1.080 1.00 0.00 C ATOM 709 O ALA A 46 -12.071 -5.009 -1.045 1.00 0.00 O ATOM 710 CB ALA A 46 -13.531 -1.993 -1.114 1.00 0.00 C ATOM 0 H ALA A 46 -11.772 -0.930 0.287 1.00 0.00 H new ATOM 0 HA ALA A 46 -13.209 -3.403 0.505 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -14.194 -2.652 -1.675 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -14.126 -1.315 -0.502 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -12.922 -1.415 -1.809 1.00 0.00 H new ATOM 716 N TRP A 47 -10.900 -3.347 -1.860 1.00 0.00 N ATOM 717 CA TRP A 47 -10.128 -4.291 -2.720 1.00 0.00 C ATOM 718 C TRP A 47 -9.042 -4.974 -1.892 1.00 0.00 C ATOM 719 O TRP A 47 -8.821 -6.163 -1.997 1.00 0.00 O ATOM 720 CB TRP A 47 -9.472 -3.532 -3.874 1.00 0.00 C ATOM 721 CG TRP A 47 -8.000 -3.787 -3.840 1.00 0.00 C ATOM 722 CD1 TRP A 47 -7.402 -4.949 -4.186 1.00 0.00 C ATOM 723 CD2 TRP A 47 -6.939 -2.886 -3.434 1.00 0.00 C ATOM 724 NE1 TRP A 47 -6.036 -4.819 -4.001 1.00 0.00 N ATOM 725 CE2 TRP A 47 -5.702 -3.560 -3.539 1.00 0.00 C ATOM 726 CE3 TRP A 47 -6.936 -1.560 -2.985 1.00 0.00 C ATOM 727 CZ2 TRP A 47 -4.501 -2.937 -3.203 1.00 0.00 C ATOM 728 CZ3 TRP A 47 -5.730 -0.923 -2.649 1.00 0.00 C ATOM 729 CH2 TRP A 47 -4.514 -1.613 -2.755 1.00 0.00 C ATOM 0 H TRP A 47 -10.640 -2.364 -1.941 1.00 0.00 H new ATOM 0 HA TRP A 47 -10.812 -5.040 -3.120 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -9.890 -3.858 -4.827 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -9.673 -2.464 -3.786 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -7.907 -5.833 -4.547 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -5.360 -5.561 -4.183 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -7.869 -1.022 -2.896 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -3.567 -3.473 -3.288 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -5.739 0.102 -2.308 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -3.589 -1.122 -2.491 1.00 0.00 H new ATOM 740 N LEU A 48 -8.353 -4.226 -1.081 1.00 0.00 N ATOM 741 CA LEU A 48 -7.266 -4.821 -0.258 1.00 0.00 C ATOM 742 C LEU A 48 -7.828 -5.932 0.633 1.00 0.00 C ATOM 743 O LEU A 48 -7.235 -6.983 0.772 1.00 0.00 O ATOM 744 CB LEU A 48 -6.656 -3.724 0.618 1.00 0.00 C ATOM 745 CG LEU A 48 -5.436 -4.260 1.365 1.00 0.00 C ATOM 746 CD1 LEU A 48 -4.226 -4.298 0.427 1.00 0.00 C ATOM 747 CD2 LEU A 48 -5.132 -3.343 2.553 1.00 0.00 C ATOM 0 H LEU A 48 -8.496 -3.224 -0.952 1.00 0.00 H new ATOM 0 HA LEU A 48 -6.505 -5.247 -0.912 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.368 -2.874 -0.000 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -7.398 -3.363 1.331 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.643 -5.269 1.720 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.360 -4.681 0.966 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.443 -4.948 -0.420 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -4.013 -3.292 0.067 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.262 -3.720 3.091 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -4.926 -2.335 2.192 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -5.991 -3.320 3.224 1.00 0.00 H new ATOM 759 N GLU A 49 -8.959 -5.712 1.239 1.00 0.00 N ATOM 760 CA GLU A 49 -9.541 -6.760 2.119 1.00 0.00 C ATOM 761 C GLU A 49 -10.090 -7.910 1.268 1.00 0.00 C ATOM 762 O GLU A 49 -10.029 -9.062 1.648 1.00 0.00 O ATOM 763 CB GLU A 49 -10.666 -6.152 2.958 1.00 0.00 C ATOM 764 CG GLU A 49 -11.896 -5.929 2.084 1.00 0.00 C ATOM 765 CD GLU A 49 -12.751 -7.199 2.064 1.00 0.00 C ATOM 766 OE1 GLU A 49 -12.281 -8.215 2.550 1.00 0.00 O ATOM 767 OE2 GLU A 49 -13.861 -7.135 1.561 1.00 0.00 O ATOM 0 H GLU A 49 -9.505 -4.854 1.163 1.00 0.00 H new ATOM 0 HA GLU A 49 -8.766 -7.148 2.780 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -10.913 -6.814 3.788 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -10.339 -5.207 3.391 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -12.480 -5.092 2.467 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -11.592 -5.668 1.070 1.00 0.00 H new ATOM 774 N ASP A 50 -10.639 -7.603 0.125 1.00 0.00 N ATOM 775 CA ASP A 50 -11.208 -8.670 -0.748 1.00 0.00 C ATOM 776 C ASP A 50 -10.124 -9.667 -1.183 1.00 0.00 C ATOM 777 O ASP A 50 -10.364 -10.855 -1.269 1.00 0.00 O ATOM 778 CB ASP A 50 -11.810 -8.019 -1.990 1.00 0.00 C ATOM 779 CG ASP A 50 -12.557 -9.072 -2.811 1.00 0.00 C ATOM 780 OD1 ASP A 50 -13.708 -9.333 -2.496 1.00 0.00 O ATOM 781 OD2 ASP A 50 -11.968 -9.599 -3.740 1.00 0.00 O ATOM 0 H ASP A 50 -10.719 -6.655 -0.244 1.00 0.00 H new ATOM 0 HA ASP A 50 -11.969 -9.211 -0.186 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -12.491 -7.219 -1.700 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -11.023 -7.565 -2.592 1.00 0.00 H new ATOM 786 N ARG A 51 -8.951 -9.192 -1.490 1.00 0.00 N ATOM 787 CA ARG A 51 -7.869 -10.106 -1.956 1.00 0.00 C ATOM 788 C ARG A 51 -7.479 -11.128 -0.884 1.00 0.00 C ATOM 789 O ARG A 51 -7.164 -12.259 -1.194 1.00 0.00 O ATOM 790 CB ARG A 51 -6.644 -9.279 -2.334 1.00 0.00 C ATOM 791 CG ARG A 51 -6.971 -8.428 -3.558 1.00 0.00 C ATOM 792 CD ARG A 51 -5.706 -7.721 -4.049 1.00 0.00 C ATOM 793 NE ARG A 51 -5.112 -6.929 -2.937 1.00 0.00 N ATOM 794 CZ ARG A 51 -3.852 -6.595 -2.976 1.00 0.00 C ATOM 795 NH1 ARG A 51 -3.113 -6.954 -3.990 1.00 0.00 N ATOM 796 NH2 ARG A 51 -3.329 -5.904 -2.002 1.00 0.00 N ATOM 0 H ARG A 51 -8.692 -8.207 -1.439 1.00 0.00 H new ATOM 0 HA ARG A 51 -8.244 -10.656 -2.819 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -6.350 -8.641 -1.501 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -5.800 -9.934 -2.547 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -7.379 -9.055 -4.350 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -7.736 -7.693 -3.308 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -4.985 -8.454 -4.412 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -5.945 -7.067 -4.887 1.00 0.00 H new ATOM 0 HE ARG A 51 -5.690 -6.648 -2.145 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -3.521 -7.496 -4.752 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -2.127 -6.693 -4.021 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -3.905 -5.624 -1.208 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -2.343 -5.643 -2.034 1.00 0.00 H new ATOM 810 N PHE A 52 -7.471 -10.753 0.365 1.00 0.00 N ATOM 811 CA PHE A 52 -7.067 -11.725 1.415 1.00 0.00 C ATOM 812 C PHE A 52 -8.299 -12.389 2.031 1.00 0.00 C ATOM 813 O PHE A 52 -8.190 -13.304 2.823 1.00 0.00 O ATOM 814 CB PHE A 52 -6.257 -10.991 2.483 1.00 0.00 C ATOM 815 CG PHE A 52 -4.939 -10.576 1.877 1.00 0.00 C ATOM 816 CD1 PHE A 52 -4.843 -9.372 1.170 1.00 0.00 C ATOM 817 CD2 PHE A 52 -3.818 -11.403 2.007 1.00 0.00 C ATOM 818 CE1 PHE A 52 -3.624 -8.994 0.596 1.00 0.00 C ATOM 819 CE2 PHE A 52 -2.600 -11.027 1.430 1.00 0.00 C ATOM 820 CZ PHE A 52 -2.502 -9.821 0.725 1.00 0.00 C ATOM 0 H PHE A 52 -7.725 -9.824 0.701 1.00 0.00 H new ATOM 0 HA PHE A 52 -6.453 -12.509 0.972 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -6.803 -10.117 2.840 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -6.092 -11.637 3.345 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -5.709 -8.735 1.067 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -3.893 -12.332 2.553 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -3.549 -8.063 0.053 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -1.736 -11.667 1.528 1.00 0.00 H new ATOM 0 HZ PHE A 52 -1.562 -9.529 0.281 1.00 0.00 H new ATOM 830 N GLY A 53 -9.471 -11.950 1.669 1.00 0.00 N ATOM 831 CA GLY A 53 -10.698 -12.573 2.229 1.00 0.00 C ATOM 832 C GLY A 53 -10.815 -12.196 3.698 1.00 0.00 C ATOM 833 O GLY A 53 -11.356 -12.935 4.498 1.00 0.00 O ATOM 0 H GLY A 53 -9.631 -11.188 1.010 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -11.577 -12.233 1.681 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -10.654 -13.657 2.120 1.00 0.00 H new ATOM 837 N ILE A 54 -10.305 -11.052 4.062 1.00 0.00 N ATOM 838 CA ILE A 54 -10.376 -10.627 5.482 1.00 0.00 C ATOM 839 C ILE A 54 -11.401 -9.503 5.629 1.00 0.00 C ATOM 840 O ILE A 54 -11.658 -8.759 4.705 1.00 0.00 O ATOM 841 CB ILE A 54 -8.997 -10.142 5.927 1.00 0.00 C ATOM 842 CG1 ILE A 54 -8.591 -8.929 5.086 1.00 0.00 C ATOM 843 CG2 ILE A 54 -7.975 -11.264 5.733 1.00 0.00 C ATOM 844 CD1 ILE A 54 -7.194 -8.469 5.499 1.00 0.00 C ATOM 0 H ILE A 54 -9.842 -10.395 3.434 1.00 0.00 H new ATOM 0 HA ILE A 54 -10.682 -11.467 6.106 1.00 0.00 H new ATOM 0 HB ILE A 54 -9.030 -9.861 6.980 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -8.603 -9.187 4.027 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -9.308 -8.120 5.225 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -6.991 -10.919 6.050 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -8.266 -12.128 6.330 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -7.939 -11.545 4.681 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -6.904 -7.605 4.901 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -7.198 -8.195 6.554 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -6.482 -9.278 5.337 1.00 0.00 H new ATOM 856 N ALA A 55 -11.996 -9.382 6.784 1.00 0.00 N ATOM 857 CA ALA A 55 -13.015 -8.315 6.993 1.00 0.00 C ATOM 858 C ALA A 55 -12.420 -7.193 7.844 1.00 0.00 C ATOM 859 O ALA A 55 -11.503 -7.402 8.614 1.00 0.00 O ATOM 860 CB ALA A 55 -14.229 -8.906 7.711 1.00 0.00 C ATOM 0 H ALA A 55 -11.820 -9.977 7.593 1.00 0.00 H new ATOM 0 HA ALA A 55 -13.320 -7.913 6.027 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -14.976 -8.127 7.865 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -14.657 -9.704 7.105 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -13.921 -9.309 8.676 1.00 0.00 H new ATOM 866 N ALA A 56 -12.936 -6.003 7.711 1.00 0.00 N ATOM 867 CA ALA A 56 -12.404 -4.867 8.512 1.00 0.00 C ATOM 868 C ALA A 56 -12.563 -5.184 10.002 1.00 0.00 C ATOM 869 O ALA A 56 -11.895 -4.617 10.840 1.00 0.00 O ATOM 870 CB ALA A 56 -13.183 -3.594 8.175 1.00 0.00 C ATOM 0 H ALA A 56 -13.704 -5.768 7.082 1.00 0.00 H new ATOM 0 HA ALA A 56 -11.350 -4.717 8.279 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -12.793 -2.763 8.762 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -13.074 -3.371 7.114 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -14.238 -3.740 8.409 1.00 0.00 H new ATOM 876 N ASP A 57 -13.454 -6.082 10.331 1.00 0.00 N ATOM 877 CA ASP A 57 -13.678 -6.448 11.754 1.00 0.00 C ATOM 878 C ASP A 57 -14.159 -5.221 12.521 1.00 0.00 C ATOM 879 O ASP A 57 -13.826 -5.023 13.673 1.00 0.00 O ATOM 880 CB ASP A 57 -12.382 -6.973 12.365 1.00 0.00 C ATOM 881 CG ASP A 57 -12.667 -7.548 13.753 1.00 0.00 C ATOM 882 OD1 ASP A 57 -13.830 -7.608 14.120 1.00 0.00 O ATOM 883 OD2 ASP A 57 -11.720 -7.918 14.425 1.00 0.00 O ATOM 0 H ASP A 57 -14.041 -6.582 9.663 1.00 0.00 H new ATOM 0 HA ASP A 57 -14.435 -7.230 11.814 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -11.950 -7.741 11.723 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -11.650 -6.169 12.436 1.00 0.00 H new ATOM 888 N ASP A 58 -14.957 -4.402 11.893 1.00 0.00 N ATOM 889 CA ASP A 58 -15.484 -3.198 12.586 1.00 0.00 C ATOM 890 C ASP A 58 -14.334 -2.379 13.180 1.00 0.00 C ATOM 891 O ASP A 58 -14.375 -1.987 14.329 1.00 0.00 O ATOM 892 CB ASP A 58 -16.427 -3.644 13.697 1.00 0.00 C ATOM 893 CG ASP A 58 -17.688 -4.254 13.083 1.00 0.00 C ATOM 894 OD1 ASP A 58 -17.867 -4.115 11.884 1.00 0.00 O ATOM 895 OD2 ASP A 58 -18.454 -4.850 13.822 1.00 0.00 O ATOM 0 H ASP A 58 -15.266 -4.517 10.928 1.00 0.00 H new ATOM 0 HA ASP A 58 -16.019 -2.573 11.871 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -15.932 -4.374 14.337 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -16.691 -2.795 14.327 1.00 0.00 H new ATOM 900 N VAL A 59 -13.315 -2.112 12.406 1.00 0.00 N ATOM 901 CA VAL A 59 -12.169 -1.310 12.927 1.00 0.00 C ATOM 902 C VAL A 59 -11.894 -0.150 11.970 1.00 0.00 C ATOM 903 O VAL A 59 -12.009 -0.285 10.767 1.00 0.00 O ATOM 904 CB VAL A 59 -10.923 -2.192 13.025 1.00 0.00 C ATOM 905 CG1 VAL A 59 -10.413 -2.521 11.621 1.00 0.00 C ATOM 906 CG2 VAL A 59 -9.833 -1.448 13.799 1.00 0.00 C ATOM 0 H VAL A 59 -13.227 -2.415 11.436 1.00 0.00 H new ATOM 0 HA VAL A 59 -12.415 -0.924 13.916 1.00 0.00 H new ATOM 0 HB VAL A 59 -11.175 -3.117 13.544 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -9.525 -3.149 11.694 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -11.188 -3.051 11.067 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -10.162 -1.597 11.100 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -8.944 -2.075 13.870 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -9.584 -0.523 13.279 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -10.193 -1.215 14.801 1.00 0.00 H new ATOM 916 N GLU A 60 -11.538 0.991 12.490 1.00 0.00 N ATOM 917 CA GLU A 60 -11.263 2.154 11.602 1.00 0.00 C ATOM 918 C GLU A 60 -9.754 2.297 11.395 1.00 0.00 C ATOM 919 O GLU A 60 -8.981 2.236 12.331 1.00 0.00 O ATOM 920 CB GLU A 60 -11.812 3.429 12.246 1.00 0.00 C ATOM 921 CG GLU A 60 -11.663 4.596 11.276 1.00 0.00 C ATOM 922 CD GLU A 60 -12.114 5.889 11.958 1.00 0.00 C ATOM 923 OE1 GLU A 60 -12.483 5.827 13.119 1.00 0.00 O ATOM 924 OE2 GLU A 60 -12.083 6.920 11.306 1.00 0.00 O ATOM 0 H GLU A 60 -11.426 1.168 13.488 1.00 0.00 H new ATOM 0 HA GLU A 60 -11.747 1.995 10.638 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -12.861 3.293 12.509 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -11.276 3.641 13.171 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -10.625 4.685 10.955 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -12.260 4.417 10.381 1.00 0.00 H new ATOM 931 N LEU A 61 -9.332 2.485 10.176 1.00 0.00 N ATOM 932 CA LEU A 61 -7.881 2.634 9.901 1.00 0.00 C ATOM 933 C LEU A 61 -7.513 4.117 9.927 1.00 0.00 C ATOM 934 O LEU A 61 -8.287 4.964 9.527 1.00 0.00 O ATOM 935 CB LEU A 61 -7.574 2.054 8.521 1.00 0.00 C ATOM 936 CG LEU A 61 -8.057 0.606 8.454 1.00 0.00 C ATOM 937 CD1 LEU A 61 -7.665 0.000 7.105 1.00 0.00 C ATOM 938 CD2 LEU A 61 -7.409 -0.201 9.582 1.00 0.00 C ATOM 0 H LEU A 61 -9.935 2.542 9.356 1.00 0.00 H new ATOM 0 HA LEU A 61 -7.302 2.104 10.658 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -8.064 2.647 7.749 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -6.502 2.100 8.326 1.00 0.00 H new ATOM 0 HG LEU A 61 -9.141 0.579 8.564 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -8.009 -1.033 7.056 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -8.125 0.574 6.301 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -6.581 0.027 6.995 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -7.753 -1.234 9.535 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -6.325 -0.174 9.472 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -7.687 0.230 10.544 1.00 0.00 H new ATOM 950 N SER A 62 -6.336 4.442 10.388 1.00 0.00 N ATOM 951 CA SER A 62 -5.929 5.870 10.430 1.00 0.00 C ATOM 952 C SER A 62 -5.201 6.213 9.128 1.00 0.00 C ATOM 953 O SER A 62 -4.579 5.366 8.521 1.00 0.00 O ATOM 954 CB SER A 62 -4.996 6.103 11.618 1.00 0.00 C ATOM 955 OG SER A 62 -3.725 6.525 11.140 1.00 0.00 O ATOM 0 H SER A 62 -5.642 3.780 10.736 1.00 0.00 H new ATOM 0 HA SER A 62 -6.809 6.504 10.540 1.00 0.00 H new ATOM 0 HB2 SER A 62 -5.416 6.857 12.283 1.00 0.00 H new ATOM 0 HB3 SER A 62 -4.893 5.187 12.200 1.00 0.00 H new ATOM 0 HG SER A 62 -3.124 6.677 11.899 1.00 0.00 H new ATOM 961 N PRO A 63 -5.277 7.442 8.700 1.00 0.00 N ATOM 962 CA PRO A 63 -4.616 7.890 7.443 1.00 0.00 C ATOM 963 C PRO A 63 -3.106 7.627 7.462 1.00 0.00 C ATOM 964 O PRO A 63 -2.459 7.587 6.435 1.00 0.00 O ATOM 965 CB PRO A 63 -4.895 9.398 7.382 1.00 0.00 C ATOM 966 CG PRO A 63 -5.365 9.786 8.745 1.00 0.00 C ATOM 967 CD PRO A 63 -5.988 8.541 9.362 1.00 0.00 C ATOM 0 HA PRO A 63 -4.997 7.349 6.577 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -3.996 9.950 7.108 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -5.650 9.625 6.630 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -4.535 10.146 9.353 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -6.093 10.596 8.688 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -5.850 8.516 10.443 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -7.061 8.495 9.177 1.00 0.00 H new ATOM 975 N GLU A 64 -2.541 7.449 8.628 1.00 0.00 N ATOM 976 CA GLU A 64 -1.083 7.190 8.723 1.00 0.00 C ATOM 977 C GLU A 64 -0.771 5.823 8.129 1.00 0.00 C ATOM 978 O GLU A 64 0.283 5.604 7.574 1.00 0.00 O ATOM 979 CB GLU A 64 -0.660 7.222 10.188 1.00 0.00 C ATOM 980 CG GLU A 64 -0.917 8.609 10.764 1.00 0.00 C ATOM 981 CD GLU A 64 -0.411 8.666 12.207 1.00 0.00 C ATOM 982 OE1 GLU A 64 -0.056 7.624 12.731 1.00 0.00 O ATOM 983 OE2 GLU A 64 -0.386 9.752 12.762 1.00 0.00 O ATOM 0 H GLU A 64 -3.034 7.473 9.521 1.00 0.00 H new ATOM 0 HA GLU A 64 -0.538 7.955 8.171 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -1.215 6.474 10.754 1.00 0.00 H new ATOM 0 HB3 GLU A 64 0.397 6.970 10.277 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -0.413 9.364 10.161 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -1.983 8.836 10.732 1.00 0.00 H new ATOM 990 N HIS A 65 -1.683 4.902 8.237 1.00 0.00 N ATOM 991 CA HIS A 65 -1.434 3.553 7.672 1.00 0.00 C ATOM 992 C HIS A 65 -1.347 3.666 6.157 1.00 0.00 C ATOM 993 O HIS A 65 -0.802 2.816 5.482 1.00 0.00 O ATOM 994 CB HIS A 65 -2.584 2.620 8.041 1.00 0.00 C ATOM 995 CG HIS A 65 -2.531 1.396 7.171 1.00 0.00 C ATOM 996 ND1 HIS A 65 -3.679 0.785 6.684 1.00 0.00 N ATOM 997 CD2 HIS A 65 -1.479 0.664 6.683 1.00 0.00 C ATOM 998 CE1 HIS A 65 -3.293 -0.265 5.938 1.00 0.00 C ATOM 999 NE2 HIS A 65 -1.964 -0.381 5.906 1.00 0.00 N ATOM 0 H HIS A 65 -2.588 5.025 8.691 1.00 0.00 H new ATOM 0 HA HIS A 65 -0.503 3.152 8.074 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -2.515 2.337 9.091 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -3.538 3.131 7.911 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -4.640 1.079 6.860 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -0.436 0.868 6.873 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -3.973 -0.931 5.428 1.00 0.00 H new ATOM 1008 N PHE A 66 -1.887 4.718 5.621 1.00 0.00 N ATOM 1009 CA PHE A 66 -1.853 4.913 4.152 1.00 0.00 C ATOM 1010 C PHE A 66 -0.648 5.783 3.801 1.00 0.00 C ATOM 1011 O PHE A 66 -0.539 6.314 2.714 1.00 0.00 O ATOM 1012 CB PHE A 66 -3.140 5.606 3.707 1.00 0.00 C ATOM 1013 CG PHE A 66 -4.340 4.859 4.242 1.00 0.00 C ATOM 1014 CD1 PHE A 66 -4.641 4.893 5.610 1.00 0.00 C ATOM 1015 CD2 PHE A 66 -5.159 4.137 3.365 1.00 0.00 C ATOM 1016 CE1 PHE A 66 -5.757 4.206 6.099 1.00 0.00 C ATOM 1017 CE2 PHE A 66 -6.276 3.453 3.856 1.00 0.00 C ATOM 1018 CZ PHE A 66 -6.574 3.488 5.223 1.00 0.00 C ATOM 0 H PHE A 66 -2.355 5.458 6.143 1.00 0.00 H new ATOM 0 HA PHE A 66 -1.771 3.951 3.645 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -3.152 6.635 4.066 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -3.183 5.648 2.619 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -4.011 5.450 6.287 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -4.928 4.108 2.310 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -5.987 4.231 7.154 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -6.909 2.898 3.180 1.00 0.00 H new ATOM 0 HZ PHE A 66 -7.437 2.959 5.601 1.00 0.00 H new ATOM 1028 N ARG A 67 0.251 5.934 4.730 1.00 0.00 N ATOM 1029 CA ARG A 67 1.458 6.768 4.495 1.00 0.00 C ATOM 1030 C ARG A 67 2.084 6.430 3.139 1.00 0.00 C ATOM 1031 O ARG A 67 2.572 7.298 2.442 1.00 0.00 O ATOM 1032 CB ARG A 67 2.460 6.483 5.615 1.00 0.00 C ATOM 1033 CG ARG A 67 2.850 5.003 5.583 1.00 0.00 C ATOM 1034 CD ARG A 67 2.957 4.457 7.011 1.00 0.00 C ATOM 1035 NE ARG A 67 3.911 3.314 7.043 1.00 0.00 N ATOM 1036 CZ ARG A 67 3.992 2.566 8.111 1.00 0.00 C ATOM 1037 NH1 ARG A 67 3.243 2.827 9.147 1.00 0.00 N ATOM 1038 NH2 ARG A 67 4.819 1.558 8.143 1.00 0.00 N ATOM 0 H ARG A 67 0.199 5.508 5.655 1.00 0.00 H new ATOM 0 HA ARG A 67 1.184 7.823 4.490 1.00 0.00 H new ATOM 0 HB2 ARG A 67 3.346 7.107 5.493 1.00 0.00 H new ATOM 0 HB3 ARG A 67 2.023 6.735 6.581 1.00 0.00 H new ATOM 0 HG2 ARG A 67 2.107 4.435 5.023 1.00 0.00 H new ATOM 0 HG3 ARG A 67 3.802 4.881 5.066 1.00 0.00 H new ATOM 0 HD2 ARG A 67 3.294 5.243 7.687 1.00 0.00 H new ATOM 0 HD3 ARG A 67 1.977 4.134 7.361 1.00 0.00 H new ATOM 0 HE ARG A 67 4.499 3.116 6.234 1.00 0.00 H new ATOM 0 HH11 ARG A 67 2.595 3.614 9.122 1.00 0.00 H new ATOM 0 HH12 ARG A 67 3.305 2.244 9.981 1.00 0.00 H new ATOM 0 HH21 ARG A 67 5.404 1.352 7.333 1.00 0.00 H new ATOM 0 HH22 ARG A 67 4.881 0.975 8.978 1.00 0.00 H new ATOM 1052 N SER A 68 2.083 5.183 2.755 1.00 0.00 N ATOM 1053 CA SER A 68 2.689 4.819 1.443 1.00 0.00 C ATOM 1054 C SER A 68 2.150 3.464 0.973 1.00 0.00 C ATOM 1055 O SER A 68 1.729 2.644 1.764 1.00 0.00 O ATOM 1056 CB SER A 68 4.207 4.742 1.597 1.00 0.00 C ATOM 1057 OG SER A 68 4.791 4.405 0.346 1.00 0.00 O ATOM 0 H SER A 68 1.692 4.406 3.288 1.00 0.00 H new ATOM 0 HA SER A 68 2.431 5.577 0.703 1.00 0.00 H new ATOM 0 HB2 SER A 68 4.597 5.698 1.947 1.00 0.00 H new ATOM 0 HB3 SER A 68 4.470 3.996 2.347 1.00 0.00 H new ATOM 0 HG SER A 68 5.764 4.512 0.400 1.00 0.00 H new ATOM 1063 N ILE A 69 2.162 3.224 -0.312 1.00 0.00 N ATOM 1064 CA ILE A 69 1.655 1.928 -0.838 1.00 0.00 C ATOM 1065 C ILE A 69 2.440 0.786 -0.197 1.00 0.00 C ATOM 1066 O ILE A 69 1.888 -0.227 0.184 1.00 0.00 O ATOM 1067 CB ILE A 69 1.858 1.884 -2.351 1.00 0.00 C ATOM 1068 CG1 ILE A 69 1.563 3.261 -2.945 1.00 0.00 C ATOM 1069 CG2 ILE A 69 0.903 0.861 -2.956 1.00 0.00 C ATOM 1070 CD1 ILE A 69 2.873 4.033 -3.119 1.00 0.00 C ATOM 0 H ILE A 69 2.503 3.874 -1.020 1.00 0.00 H new ATOM 0 HA ILE A 69 0.595 1.827 -0.605 1.00 0.00 H new ATOM 0 HB ILE A 69 2.888 1.604 -2.573 1.00 0.00 H new ATOM 0 HG12 ILE A 69 1.061 3.154 -3.907 1.00 0.00 H new ATOM 0 HG13 ILE A 69 0.887 3.813 -2.292 1.00 0.00 H new ATOM 0 HG21 ILE A 69 1.044 0.826 -4.036 1.00 0.00 H new ATOM 0 HG22 ILE A 69 1.106 -0.122 -2.531 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -0.125 1.147 -2.733 1.00 0.00 H new ATOM 0 HD11 ILE A 69 2.663 5.015 -3.543 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.357 4.152 -2.150 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.533 3.483 -3.789 1.00 0.00 H new ATOM 1082 N ARG A 70 3.727 0.946 -0.072 1.00 0.00 N ATOM 1083 CA ARG A 70 4.558 -0.121 0.547 1.00 0.00 C ATOM 1084 C ARG A 70 4.047 -0.396 1.960 1.00 0.00 C ATOM 1085 O ARG A 70 3.938 -1.530 2.383 1.00 0.00 O ATOM 1086 CB ARG A 70 6.013 0.349 0.605 1.00 0.00 C ATOM 1087 CG ARG A 70 6.079 1.672 1.371 1.00 0.00 C ATOM 1088 CD ARG A 70 7.380 2.405 1.041 1.00 0.00 C ATOM 1089 NE ARG A 70 8.531 1.671 1.635 1.00 0.00 N ATOM 1090 CZ ARG A 70 9.702 2.243 1.709 1.00 0.00 C ATOM 1091 NH1 ARG A 70 9.865 3.457 1.259 1.00 0.00 N ATOM 1092 NH2 ARG A 70 10.711 1.601 2.232 1.00 0.00 N ATOM 0 H ARG A 70 4.241 1.774 -0.374 1.00 0.00 H new ATOM 0 HA ARG A 70 4.496 -1.034 -0.044 1.00 0.00 H new ATOM 0 HB2 ARG A 70 6.632 -0.402 1.096 1.00 0.00 H new ATOM 0 HB3 ARG A 70 6.408 0.477 -0.403 1.00 0.00 H new ATOM 0 HG2 ARG A 70 5.224 2.296 1.109 1.00 0.00 H new ATOM 0 HG3 ARG A 70 6.020 1.484 2.443 1.00 0.00 H new ATOM 0 HD2 ARG A 70 7.503 2.481 -0.039 1.00 0.00 H new ATOM 0 HD3 ARG A 70 7.345 3.423 1.430 1.00 0.00 H new ATOM 0 HE ARG A 70 8.405 0.721 1.984 1.00 0.00 H new ATOM 0 HH11 ARG A 70 9.077 3.959 0.849 1.00 0.00 H new ATOM 0 HH12 ARG A 70 10.780 3.904 1.317 1.00 0.00 H new ATOM 0 HH21 ARG A 70 10.585 0.652 2.583 1.00 0.00 H new ATOM 0 HH22 ARG A 70 11.626 2.049 2.289 1.00 0.00 H new ATOM 1106 N SER A 71 3.722 0.634 2.690 1.00 0.00 N ATOM 1107 CA SER A 71 3.206 0.432 4.072 1.00 0.00 C ATOM 1108 C SER A 71 1.888 -0.341 4.013 1.00 0.00 C ATOM 1109 O SER A 71 1.636 -1.221 4.812 1.00 0.00 O ATOM 1110 CB SER A 71 2.970 1.791 4.732 1.00 0.00 C ATOM 1111 OG SER A 71 2.604 1.594 6.092 1.00 0.00 O ATOM 0 H SER A 71 3.791 1.606 2.390 1.00 0.00 H new ATOM 0 HA SER A 71 3.934 -0.132 4.654 1.00 0.00 H new ATOM 0 HB2 SER A 71 3.872 2.400 4.670 1.00 0.00 H new ATOM 0 HB3 SER A 71 2.183 2.332 4.206 1.00 0.00 H new ATOM 0 HG SER A 71 3.023 0.774 6.428 1.00 0.00 H new ATOM 1117 N ILE A 72 1.043 -0.021 3.069 1.00 0.00 N ATOM 1118 CA ILE A 72 -0.253 -0.734 2.956 1.00 0.00 C ATOM 1119 C ILE A 72 0.004 -2.223 2.727 1.00 0.00 C ATOM 1120 O ILE A 72 -0.549 -3.072 3.400 1.00 0.00 O ATOM 1121 CB ILE A 72 -1.033 -0.161 1.774 1.00 0.00 C ATOM 1122 CG1 ILE A 72 -1.303 1.327 2.015 1.00 0.00 C ATOM 1123 CG2 ILE A 72 -2.358 -0.902 1.638 1.00 0.00 C ATOM 1124 CD1 ILE A 72 -1.959 1.937 0.774 1.00 0.00 C ATOM 0 H ILE A 72 1.199 0.706 2.371 1.00 0.00 H new ATOM 0 HA ILE A 72 -0.828 -0.606 3.873 1.00 0.00 H new ATOM 0 HB ILE A 72 -0.452 -0.281 0.860 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -1.952 1.454 2.881 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -0.370 1.845 2.237 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -2.917 -0.496 0.795 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -2.167 -1.962 1.469 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -2.939 -0.779 2.552 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.151 2.996 0.947 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.294 1.824 -0.082 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -2.901 1.426 0.572 1.00 0.00 H new ATOM 1136 N ASP A 73 0.845 -2.546 1.783 1.00 0.00 N ATOM 1137 CA ASP A 73 1.145 -3.978 1.513 1.00 0.00 C ATOM 1138 C ASP A 73 1.722 -4.613 2.778 1.00 0.00 C ATOM 1139 O ASP A 73 1.409 -5.733 3.127 1.00 0.00 O ATOM 1140 CB ASP A 73 2.172 -4.073 0.383 1.00 0.00 C ATOM 1141 CG ASP A 73 2.173 -5.489 -0.193 1.00 0.00 C ATOM 1142 OD1 ASP A 73 1.383 -6.296 0.269 1.00 0.00 O ATOM 1143 OD2 ASP A 73 2.963 -5.742 -1.088 1.00 0.00 O ATOM 0 H ASP A 73 1.337 -1.879 1.188 1.00 0.00 H new ATOM 0 HA ASP A 73 0.233 -4.500 1.222 1.00 0.00 H new ATOM 0 HB2 ASP A 73 1.935 -3.352 -0.399 1.00 0.00 H new ATOM 0 HB3 ASP A 73 3.164 -3.822 0.758 1.00 0.00 H new ATOM 1148 N ALA A 74 2.569 -3.895 3.462 1.00 0.00 N ATOM 1149 CA ALA A 74 3.183 -4.434 4.706 1.00 0.00 C ATOM 1150 C ALA A 74 2.114 -4.615 5.786 1.00 0.00 C ATOM 1151 O ALA A 74 2.149 -5.557 6.551 1.00 0.00 O ATOM 1152 CB ALA A 74 4.251 -3.459 5.199 1.00 0.00 C ATOM 0 H ALA A 74 2.864 -2.952 3.210 1.00 0.00 H new ATOM 0 HA ALA A 74 3.636 -5.403 4.495 1.00 0.00 H new ATOM 0 HB1 ALA A 74 4.705 -3.847 6.110 1.00 0.00 H new ATOM 0 HB2 ALA A 74 5.018 -3.341 4.433 1.00 0.00 H new ATOM 0 HB3 ALA A 74 3.793 -2.492 5.406 1.00 0.00 H new ATOM 1158 N PHE A 75 1.172 -3.715 5.866 1.00 0.00 N ATOM 1159 CA PHE A 75 0.115 -3.841 6.911 1.00 0.00 C ATOM 1160 C PHE A 75 -0.659 -5.146 6.712 1.00 0.00 C ATOM 1161 O PHE A 75 -0.876 -5.896 7.642 1.00 0.00 O ATOM 1162 CB PHE A 75 -0.848 -2.659 6.813 1.00 0.00 C ATOM 1163 CG PHE A 75 -1.825 -2.709 7.963 1.00 0.00 C ATOM 1164 CD1 PHE A 75 -1.485 -2.142 9.196 1.00 0.00 C ATOM 1165 CD2 PHE A 75 -3.072 -3.323 7.795 1.00 0.00 C ATOM 1166 CE1 PHE A 75 -2.391 -2.188 10.263 1.00 0.00 C ATOM 1167 CE2 PHE A 75 -3.978 -3.369 8.862 1.00 0.00 C ATOM 1168 CZ PHE A 75 -3.638 -2.802 10.094 1.00 0.00 C ATOM 0 H PHE A 75 1.088 -2.901 5.256 1.00 0.00 H new ATOM 0 HA PHE A 75 0.585 -3.847 7.894 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -0.293 -1.721 6.834 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -1.384 -2.691 5.865 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -0.523 -1.668 9.325 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -3.335 -3.761 6.843 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -2.128 -1.751 11.215 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -4.940 -3.843 8.733 1.00 0.00 H new ATOM 0 HZ PHE A 75 -4.338 -2.838 10.916 1.00 0.00 H new ATOM 1178 N VAL A 76 -1.077 -5.428 5.507 1.00 0.00 N ATOM 1179 CA VAL A 76 -1.829 -6.683 5.257 1.00 0.00 C ATOM 1180 C VAL A 76 -0.933 -7.878 5.580 1.00 0.00 C ATOM 1181 O VAL A 76 -1.336 -8.810 6.247 1.00 0.00 O ATOM 1182 CB VAL A 76 -2.230 -6.734 3.789 1.00 0.00 C ATOM 1183 CG1 VAL A 76 -2.967 -8.037 3.518 1.00 0.00 C ATOM 1184 CG2 VAL A 76 -3.146 -5.552 3.470 1.00 0.00 C ATOM 0 H VAL A 76 -0.928 -4.840 4.687 1.00 0.00 H new ATOM 0 HA VAL A 76 -2.720 -6.715 5.884 1.00 0.00 H new ATOM 0 HB VAL A 76 -1.340 -6.680 3.162 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -3.257 -8.079 2.468 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -2.314 -8.879 3.749 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -3.859 -8.087 4.143 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -3.434 -5.588 2.419 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -4.039 -5.605 4.093 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -2.619 -4.619 3.670 1.00 0.00 H new ATOM 1194 N VAL A 77 0.285 -7.850 5.115 1.00 0.00 N ATOM 1195 CA VAL A 77 1.219 -8.969 5.392 1.00 0.00 C ATOM 1196 C VAL A 77 1.539 -8.999 6.886 1.00 0.00 C ATOM 1197 O VAL A 77 1.625 -10.047 7.496 1.00 0.00 O ATOM 1198 CB VAL A 77 2.503 -8.741 4.598 1.00 0.00 C ATOM 1199 CG1 VAL A 77 3.543 -9.777 5.008 1.00 0.00 C ATOM 1200 CG2 VAL A 77 2.211 -8.876 3.103 1.00 0.00 C ATOM 0 H VAL A 77 0.673 -7.093 4.552 1.00 0.00 H new ATOM 0 HA VAL A 77 0.767 -9.918 5.101 1.00 0.00 H new ATOM 0 HB VAL A 77 2.884 -7.741 4.804 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.460 -9.615 4.442 1.00 0.00 H new ATOM 0 HG12 VAL A 77 3.752 -9.681 6.073 1.00 0.00 H new ATOM 0 HG13 VAL A 77 3.161 -10.777 4.802 1.00 0.00 H new ATOM 0 HG21 VAL A 77 3.128 -8.713 2.537 1.00 0.00 H new ATOM 0 HG22 VAL A 77 1.829 -9.876 2.896 1.00 0.00 H new ATOM 0 HG23 VAL A 77 1.467 -8.136 2.809 1.00 0.00 H new ATOM 1210 N GLY A 78 1.720 -7.851 7.478 1.00 0.00 N ATOM 1211 CA GLY A 78 2.040 -7.795 8.930 1.00 0.00 C ATOM 1212 C GLY A 78 0.917 -8.451 9.737 1.00 0.00 C ATOM 1213 O GLY A 78 1.157 -9.122 10.721 1.00 0.00 O ATOM 0 H GLY A 78 1.659 -6.944 7.015 1.00 0.00 H new ATOM 0 HA2 GLY A 78 2.984 -8.305 9.123 1.00 0.00 H new ATOM 0 HA3 GLY A 78 2.167 -6.759 9.243 1.00 0.00 H new ATOM 1217 N ALA A 79 -0.309 -8.248 9.336 1.00 0.00 N ATOM 1218 CA ALA A 79 -1.449 -8.847 10.089 1.00 0.00 C ATOM 1219 C ALA A 79 -1.461 -10.368 9.922 1.00 0.00 C ATOM 1220 O ALA A 79 -1.706 -11.101 10.860 1.00 0.00 O ATOM 1221 CB ALA A 79 -2.764 -8.269 9.560 1.00 0.00 C ATOM 0 H ALA A 79 -0.571 -7.694 8.521 1.00 0.00 H new ATOM 0 HA ALA A 79 -1.336 -8.610 11.147 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -3.599 -8.705 10.108 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -2.766 -7.187 9.695 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -2.864 -8.503 8.500 1.00 0.00 H new ATOM 1227 N THR A 80 -1.205 -10.852 8.739 1.00 0.00 N ATOM 1228 CA THR A 80 -1.209 -12.326 8.522 1.00 0.00 C ATOM 1229 C THR A 80 0.128 -12.908 8.966 1.00 0.00 C ATOM 1230 O THR A 80 0.208 -14.037 9.411 1.00 0.00 O ATOM 1231 CB THR A 80 -1.433 -12.620 7.036 1.00 0.00 C ATOM 1232 OG1 THR A 80 -0.313 -12.162 6.291 1.00 0.00 O ATOM 1233 CG2 THR A 80 -2.697 -11.903 6.557 1.00 0.00 C ATOM 0 H THR A 80 -0.993 -10.292 7.913 1.00 0.00 H new ATOM 0 HA THR A 80 -2.010 -12.780 9.105 1.00 0.00 H new ATOM 0 HB THR A 80 -1.551 -13.694 6.891 1.00 0.00 H new ATOM 0 HG1 THR A 80 -0.454 -12.351 5.340 1.00 0.00 H new ATOM 0 HG21 THR A 80 -2.856 -12.113 5.499 1.00 0.00 H new ATOM 0 HG22 THR A 80 -3.555 -12.256 7.130 1.00 0.00 H new ATOM 0 HG23 THR A 80 -2.582 -10.829 6.701 1.00 0.00 H new ATOM 1241 N THR A 81 1.175 -12.147 8.843 1.00 0.00 N ATOM 1242 CA THR A 81 2.511 -12.642 9.250 1.00 0.00 C ATOM 1243 C THR A 81 3.206 -11.574 10.097 1.00 0.00 C ATOM 1244 O THR A 81 2.925 -10.402 9.969 1.00 0.00 O ATOM 1245 CB THR A 81 3.336 -12.926 7.998 1.00 0.00 C ATOM 1246 OG1 THR A 81 2.842 -12.142 6.921 1.00 0.00 O ATOM 1247 CG2 THR A 81 3.234 -14.408 7.643 1.00 0.00 C ATOM 0 H THR A 81 1.161 -11.196 8.475 1.00 0.00 H new ATOM 0 HA THR A 81 2.410 -13.556 9.835 1.00 0.00 H new ATOM 0 HB THR A 81 4.380 -12.672 8.184 1.00 0.00 H new ATOM 0 HG1 THR A 81 2.723 -11.216 7.218 1.00 0.00 H new ATOM 0 HG21 THR A 81 3.824 -14.609 6.749 1.00 0.00 H new ATOM 0 HG22 THR A 81 3.614 -15.007 8.471 1.00 0.00 H new ATOM 0 HG23 THR A 81 2.192 -14.666 7.456 1.00 0.00 H new