USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 579 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 150:sc= 0 (180deg=-0.403) USER MOD Single : A 4 LYS NZ :NH3+ 160:sc= -0.0025 (180deg=-0.396) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 20:sc= 0.879 USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.342 USER MOD Single : A 39 HIS : no HD1:sc= -2.14 K(o=-2.1,f=-1.5) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 HIS : no HD1:sc= -0.206 X(o=-0.21,f=-0.43) USER MOD Single : A 58 ASN : amide:sc= -0.0795 X(o=-0.08,f=-0.45) USER MOD Single : A 62 ASN : amide:sc= -0.304 K(o=-0.3,f=-2.8!) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.546 -9.293 0.960 1.00 0.00 N ATOM 2 CA MET A 1 -0.051 -8.058 0.380 1.00 0.00 C ATOM 3 C MET A 1 -0.746 -7.216 1.454 1.00 0.00 C ATOM 4 O MET A 1 -1.973 -7.225 1.574 1.00 0.00 O ATOM 5 CB MET A 1 -1.041 -8.455 -0.725 1.00 0.00 C ATOM 6 CG MET A 1 -1.614 -7.273 -1.495 1.00 0.00 C ATOM 7 SD MET A 1 -3.172 -7.667 -2.313 1.00 0.00 S ATOM 8 CE MET A 1 -4.308 -6.637 -1.387 1.00 0.00 C ATOM 0 H1 MET A 1 0.547 -10.047 0.244 1.00 0.00 H new ATOM 0 H2 MET A 1 1.523 -9.099 1.259 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.014 -9.596 1.782 1.00 0.00 H new ATOM 0 HA MET A 1 0.744 -7.445 -0.043 1.00 0.00 H new ATOM 0 HB2 MET A 1 -0.540 -9.123 -1.425 1.00 0.00 H new ATOM 0 HB3 MET A 1 -1.861 -9.017 -0.279 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.768 -6.439 -0.811 1.00 0.00 H new ATOM 0 HG3 MET A 1 -0.890 -6.944 -2.240 1.00 0.00 H new ATOM 0 HE1 MET A 1 -5.318 -6.769 -1.775 1.00 0.00 H new ATOM 0 HE2 MET A 1 -4.283 -6.922 -0.335 1.00 0.00 H new ATOM 0 HE3 MET A 1 -4.015 -5.592 -1.486 1.00 0.00 H new ATOM 20 N GLU A 2 0.059 -6.480 2.224 1.00 0.00 N ATOM 21 CA GLU A 2 -0.453 -5.610 3.283 1.00 0.00 C ATOM 22 C GLU A 2 -0.048 -4.162 3.014 1.00 0.00 C ATOM 23 O GLU A 2 1.020 -3.904 2.454 1.00 0.00 O ATOM 24 CB GLU A 2 0.074 -6.051 4.654 1.00 0.00 C ATOM 25 CG GLU A 2 -0.081 -7.540 4.930 1.00 0.00 C ATOM 26 CD GLU A 2 0.923 -8.048 5.945 1.00 0.00 C ATOM 27 OE1 GLU A 2 0.723 -7.804 7.155 1.00 0.00 O ATOM 28 OE2 GLU A 2 1.913 -8.689 5.530 1.00 0.00 O ATOM 0 H GLU A 2 1.075 -6.470 2.132 1.00 0.00 H new ATOM 0 HA GLU A 2 -1.540 -5.685 3.290 1.00 0.00 H new ATOM 0 HB2 GLU A 2 1.129 -5.787 4.728 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -0.450 -5.492 5.430 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -1.090 -7.736 5.292 1.00 0.00 H new ATOM 0 HG3 GLU A 2 0.037 -8.093 3.998 1.00 0.00 H new ATOM 35 N TRP A 3 -0.901 -3.218 3.406 1.00 0.00 N ATOM 36 CA TRP A 3 -0.622 -1.801 3.194 1.00 0.00 C ATOM 37 C TRP A 3 -1.265 -0.943 4.283 1.00 0.00 C ATOM 38 O TRP A 3 -2.472 -1.017 4.511 1.00 0.00 O ATOM 39 CB TRP A 3 -1.135 -1.368 1.814 1.00 0.00 C ATOM 40 CG TRP A 3 -0.357 -0.238 1.203 1.00 0.00 C ATOM 41 CD1 TRP A 3 0.252 0.791 1.859 1.00 0.00 C ATOM 42 CD2 TRP A 3 -0.111 -0.026 -0.193 1.00 0.00 C ATOM 43 NE1 TRP A 3 0.859 1.632 0.959 1.00 0.00 N ATOM 44 CE2 TRP A 3 0.653 1.150 -0.307 1.00 0.00 C ATOM 45 CE3 TRP A 3 -0.460 -0.716 -1.356 1.00 0.00 C ATOM 46 CZ2 TRP A 3 1.072 1.649 -1.538 1.00 0.00 C ATOM 47 CZ3 TRP A 3 -0.043 -0.220 -2.576 1.00 0.00 C ATOM 48 CH2 TRP A 3 0.715 0.953 -2.659 1.00 0.00 C ATOM 0 H TRP A 3 -1.789 -3.409 3.871 1.00 0.00 H new ATOM 0 HA TRP A 3 0.457 -1.656 3.241 1.00 0.00 H new ATOM 0 HB2 TRP A 3 -1.103 -2.224 1.140 1.00 0.00 H new ATOM 0 HB3 TRP A 3 -2.180 -1.071 1.902 1.00 0.00 H new ATOM 0 HD1 TRP A 3 0.256 0.925 2.931 1.00 0.00 H new ATOM 0 HE1 TRP A 3 1.379 2.478 1.195 1.00 0.00 H new ATOM 0 HE3 TRP A 3 -1.046 -1.622 -1.302 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 1.658 2.554 -1.604 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 -0.307 -0.747 -3.481 1.00 0.00 H new ATOM 0 HH2 TRP A 3 1.024 1.316 -3.628 1.00 0.00 H new ATOM 59 N LYS A 4 -0.449 -0.125 4.945 1.00 0.00 N ATOM 60 CA LYS A 4 -0.926 0.761 6.005 1.00 0.00 C ATOM 61 C LYS A 4 -0.595 2.214 5.670 1.00 0.00 C ATOM 62 O LYS A 4 0.411 2.488 5.019 1.00 0.00 O ATOM 63 CB LYS A 4 -0.298 0.377 7.348 1.00 0.00 C ATOM 64 CG LYS A 4 -1.286 -0.214 8.342 1.00 0.00 C ATOM 65 CD LYS A 4 -1.369 0.627 9.606 1.00 0.00 C ATOM 66 CE LYS A 4 -2.490 0.161 10.523 1.00 0.00 C ATOM 67 NZ LYS A 4 -3.058 1.282 11.323 1.00 0.00 N ATOM 0 H LYS A 4 0.553 -0.058 4.764 1.00 0.00 H new ATOM 0 HA LYS A 4 -2.008 0.654 6.082 1.00 0.00 H new ATOM 0 HB2 LYS A 4 0.501 -0.344 7.172 1.00 0.00 H new ATOM 0 HB3 LYS A 4 0.162 1.261 7.789 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -2.272 -0.281 7.882 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -0.984 -1.230 8.598 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -0.419 0.577 10.139 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -1.529 1.671 9.338 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -3.280 -0.296 9.927 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -2.112 -0.609 11.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -4.004 1.019 11.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -2.438 1.479 12.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -3.129 2.132 10.728 1.00 0.00 H new ATOM 81 N LEU A 5 -1.444 3.141 6.111 1.00 0.00 N ATOM 82 CA LEU A 5 -1.232 4.564 5.846 1.00 0.00 C ATOM 83 C LEU A 5 -1.588 5.416 7.065 1.00 0.00 C ATOM 84 O LEU A 5 -2.426 5.029 7.881 1.00 0.00 O ATOM 85 CB LEU A 5 -2.060 5.009 4.633 1.00 0.00 C ATOM 86 CG LEU A 5 -1.384 4.803 3.273 1.00 0.00 C ATOM 87 CD1 LEU A 5 -1.409 3.335 2.875 1.00 0.00 C ATOM 88 CD2 LEU A 5 -2.056 5.651 2.202 1.00 0.00 C ATOM 0 H LEU A 5 -2.283 2.933 6.652 1.00 0.00 H new ATOM 0 HA LEU A 5 -0.174 4.709 5.629 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -3.004 4.465 4.638 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -2.301 6.066 4.745 1.00 0.00 H new ATOM 0 HG LEU A 5 -0.345 5.119 3.363 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -0.924 3.212 1.907 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -0.879 2.746 3.624 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -2.442 2.993 2.809 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -1.560 5.489 1.245 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -3.105 5.368 2.119 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -1.985 6.704 2.474 1.00 0.00 H new ATOM 100 N PHE A 6 -0.944 6.580 7.177 1.00 0.00 N ATOM 101 CA PHE A 6 -1.185 7.498 8.293 1.00 0.00 C ATOM 102 C PHE A 6 -2.160 8.613 7.891 1.00 0.00 C ATOM 103 O PHE A 6 -2.618 8.659 6.748 1.00 0.00 O ATOM 104 CB PHE A 6 0.141 8.104 8.767 1.00 0.00 C ATOM 105 CG PHE A 6 0.221 8.316 10.253 1.00 0.00 C ATOM 106 CD1 PHE A 6 0.131 7.245 11.129 1.00 0.00 C ATOM 107 CD2 PHE A 6 0.388 9.591 10.775 1.00 0.00 C ATOM 108 CE1 PHE A 6 0.206 7.439 12.494 1.00 0.00 C ATOM 109 CE2 PHE A 6 0.462 9.790 12.141 1.00 0.00 C ATOM 110 CZ PHE A 6 0.371 8.714 13.001 1.00 0.00 C ATOM 0 H PHE A 6 -0.250 6.910 6.507 1.00 0.00 H new ATOM 0 HA PHE A 6 -1.635 6.933 9.109 1.00 0.00 H new ATOM 0 HB2 PHE A 6 0.958 7.451 8.459 1.00 0.00 H new ATOM 0 HB3 PHE A 6 0.291 9.060 8.266 1.00 0.00 H new ATOM 0 HD1 PHE A 6 0.001 6.246 10.739 1.00 0.00 H new ATOM 0 HD2 PHE A 6 0.461 10.437 10.107 1.00 0.00 H new ATOM 0 HE1 PHE A 6 0.136 6.595 13.165 1.00 0.00 H new ATOM 0 HE2 PHE A 6 0.591 10.787 12.535 1.00 0.00 H new ATOM 0 HZ PHE A 6 0.429 8.868 14.068 1.00 0.00 H new ATOM 120 N ALA A 7 -2.474 9.509 8.837 1.00 0.00 N ATOM 121 CA ALA A 7 -3.396 10.622 8.579 1.00 0.00 C ATOM 122 C ALA A 7 -2.974 11.444 7.361 1.00 0.00 C ATOM 123 O ALA A 7 -3.825 12.006 6.672 1.00 0.00 O ATOM 124 CB ALA A 7 -3.515 11.526 9.794 1.00 0.00 C ATOM 0 H ALA A 7 -2.103 9.484 9.787 1.00 0.00 H new ATOM 0 HA ALA A 7 -4.370 10.180 8.368 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -4.204 12.342 9.575 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -3.891 10.951 10.640 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -2.535 11.935 10.040 1.00 0.00 H new ATOM 130 N ASP A 8 -1.667 11.503 7.089 1.00 0.00 N ATOM 131 CA ASP A 8 -1.158 12.249 5.935 1.00 0.00 C ATOM 132 C ASP A 8 -1.926 11.857 4.673 1.00 0.00 C ATOM 133 O ASP A 8 -2.217 12.697 3.821 1.00 0.00 O ATOM 134 CB ASP A 8 0.337 11.981 5.736 1.00 0.00 C ATOM 135 CG ASP A 8 1.205 12.701 6.753 1.00 0.00 C ATOM 136 OD1 ASP A 8 1.014 12.475 7.967 1.00 0.00 O ATOM 137 OD2 ASP A 8 2.082 13.485 6.334 1.00 0.00 O ATOM 0 H ASP A 8 -0.947 11.046 7.648 1.00 0.00 H new ATOM 0 HA ASP A 8 -1.301 13.313 6.125 1.00 0.00 H new ATOM 0 HB2 ASP A 8 0.521 10.909 5.802 1.00 0.00 H new ATOM 0 HB3 ASP A 8 0.627 12.293 4.732 1.00 0.00 H new ATOM 142 N LEU A 9 -2.255 10.570 4.576 1.00 0.00 N ATOM 143 CA LEU A 9 -2.998 10.040 3.440 1.00 0.00 C ATOM 144 C LEU A 9 -4.419 9.621 3.852 1.00 0.00 C ATOM 145 O LEU A 9 -5.252 9.328 2.999 1.00 0.00 O ATOM 146 CB LEU A 9 -2.243 8.853 2.838 1.00 0.00 C ATOM 147 CG LEU A 9 -0.745 9.097 2.594 1.00 0.00 C ATOM 148 CD1 LEU A 9 0.078 8.699 3.813 1.00 0.00 C ATOM 149 CD2 LEU A 9 -0.272 8.341 1.363 1.00 0.00 C ATOM 0 H LEU A 9 -2.015 9.871 5.279 1.00 0.00 H new ATOM 0 HA LEU A 9 -3.089 10.825 2.690 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.353 7.996 3.502 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -2.712 8.585 1.891 1.00 0.00 H new ATOM 0 HG LEU A 9 -0.602 10.164 2.421 1.00 0.00 H new ATOM 0 HD11 LEU A 9 1.134 8.881 3.614 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -0.237 9.290 4.673 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -0.074 7.641 4.025 1.00 0.00 H new ATOM 0 HD21 LEU A 9 0.791 8.527 1.208 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -0.436 7.273 1.506 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -0.831 8.680 0.491 1.00 0.00 H new ATOM 161 N ALA A 10 -4.698 9.602 5.161 1.00 0.00 N ATOM 162 CA ALA A 10 -6.027 9.236 5.656 1.00 0.00 C ATOM 163 C ALA A 10 -6.914 10.471 5.872 1.00 0.00 C ATOM 164 O ALA A 10 -8.091 10.340 6.207 1.00 0.00 O ATOM 165 CB ALA A 10 -5.915 8.430 6.943 1.00 0.00 C ATOM 0 H ALA A 10 -4.025 9.834 5.891 1.00 0.00 H new ATOM 0 HA ALA A 10 -6.502 8.618 4.893 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -6.912 8.167 7.296 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -5.345 7.520 6.754 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -5.407 9.025 7.702 1.00 0.00 H new ATOM 171 N GLU A 11 -6.349 11.669 5.689 1.00 0.00 N ATOM 172 CA GLU A 11 -7.099 12.912 5.872 1.00 0.00 C ATOM 173 C GLU A 11 -8.146 13.110 4.772 1.00 0.00 C ATOM 174 O GLU A 11 -9.238 13.620 5.036 1.00 0.00 O ATOM 175 CB GLU A 11 -6.145 14.111 5.898 1.00 0.00 C ATOM 176 CG GLU A 11 -5.969 14.719 7.281 1.00 0.00 C ATOM 177 CD GLU A 11 -7.028 15.756 7.606 1.00 0.00 C ATOM 178 OE1 GLU A 11 -7.076 16.795 6.914 1.00 0.00 O ATOM 179 OE2 GLU A 11 -7.807 15.530 8.557 1.00 0.00 O ATOM 0 H GLU A 11 -5.376 11.802 5.415 1.00 0.00 H new ATOM 0 HA GLU A 11 -7.620 12.840 6.826 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -5.171 13.798 5.521 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -6.519 14.877 5.218 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.002 13.926 8.028 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -4.983 15.180 7.348 1.00 0.00 H new ATOM 186 N VAL A 12 -7.814 12.715 3.539 1.00 0.00 N ATOM 187 CA VAL A 12 -8.739 12.868 2.413 1.00 0.00 C ATOM 188 C VAL A 12 -9.579 11.608 2.188 1.00 0.00 C ATOM 189 O VAL A 12 -10.737 11.697 1.776 1.00 0.00 O ATOM 190 CB VAL A 12 -8.000 13.232 1.106 1.00 0.00 C ATOM 191 CG1 VAL A 12 -8.987 13.641 0.020 1.00 0.00 C ATOM 192 CG2 VAL A 12 -6.985 14.341 1.354 1.00 0.00 C ATOM 0 H VAL A 12 -6.919 12.290 3.297 1.00 0.00 H new ATOM 0 HA VAL A 12 -9.405 13.689 2.679 1.00 0.00 H new ATOM 0 HB VAL A 12 -7.465 12.347 0.762 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -8.443 13.893 -0.890 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -9.669 12.815 -0.182 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -9.556 14.508 0.354 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -6.475 14.583 0.421 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -7.498 15.227 1.727 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -6.254 14.007 2.091 1.00 0.00 H new ATOM 202 N ALA A 13 -8.999 10.434 2.453 1.00 0.00 N ATOM 203 CA ALA A 13 -9.713 9.172 2.266 1.00 0.00 C ATOM 204 C ALA A 13 -10.411 8.716 3.547 1.00 0.00 C ATOM 205 O ALA A 13 -11.563 8.283 3.511 1.00 0.00 O ATOM 206 CB ALA A 13 -8.757 8.094 1.779 1.00 0.00 C ATOM 0 H ALA A 13 -8.043 10.333 2.795 1.00 0.00 H new ATOM 0 HA ALA A 13 -10.483 9.340 1.513 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -9.301 7.159 1.644 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -8.318 8.399 0.829 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -7.966 7.950 2.515 1.00 0.00 H new ATOM 212 N GLY A 14 -9.697 8.798 4.670 1.00 0.00 N ATOM 213 CA GLY A 14 -10.252 8.374 5.947 1.00 0.00 C ATOM 214 C GLY A 14 -9.505 7.182 6.520 1.00 0.00 C ATOM 215 O GLY A 14 -9.329 7.075 7.735 1.00 0.00 O ATOM 0 H GLY A 14 -8.741 9.152 4.718 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -10.211 9.203 6.654 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -11.303 8.116 5.819 1.00 0.00 H new ATOM 219 N SER A 15 -9.059 6.289 5.632 1.00 0.00 N ATOM 220 CA SER A 15 -8.318 5.092 6.033 1.00 0.00 C ATOM 221 C SER A 15 -7.775 4.355 4.811 1.00 0.00 C ATOM 222 O SER A 15 -8.529 4.023 3.892 1.00 0.00 O ATOM 223 CB SER A 15 -9.212 4.152 6.850 1.00 0.00 C ATOM 224 OG SER A 15 -8.535 2.942 7.159 1.00 0.00 O ATOM 0 H SER A 15 -9.200 6.374 4.625 1.00 0.00 H new ATOM 0 HA SER A 15 -7.479 5.410 6.652 1.00 0.00 H new ATOM 0 HB2 SER A 15 -9.518 4.646 7.772 1.00 0.00 H new ATOM 0 HB3 SER A 15 -10.121 3.931 6.290 1.00 0.00 H new ATOM 0 HG SER A 15 -9.126 2.361 7.682 1.00 0.00 H new ATOM 230 N ARG A 16 -6.468 4.096 4.808 1.00 0.00 N ATOM 231 CA ARG A 16 -5.827 3.390 3.701 1.00 0.00 C ATOM 232 C ARG A 16 -5.102 2.132 4.189 1.00 0.00 C ATOM 233 O ARG A 16 -4.123 1.693 3.580 1.00 0.00 O ATOM 234 CB ARG A 16 -4.847 4.323 2.982 1.00 0.00 C ATOM 235 CG ARG A 16 -5.356 4.820 1.639 1.00 0.00 C ATOM 236 CD ARG A 16 -4.908 3.913 0.505 1.00 0.00 C ATOM 237 NE ARG A 16 -5.675 2.667 0.456 1.00 0.00 N ATOM 238 CZ ARG A 16 -6.905 2.564 -0.060 1.00 0.00 C ATOM 239 NH1 ARG A 16 -7.513 3.631 -0.573 1.00 0.00 N ATOM 240 NH2 ARG A 16 -7.528 1.390 -0.064 1.00 0.00 N ATOM 0 H ARG A 16 -5.833 4.365 5.560 1.00 0.00 H new ATOM 0 HA ARG A 16 -6.603 3.078 3.002 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -4.638 5.180 3.622 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -3.903 3.799 2.832 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -6.445 4.871 1.657 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -4.992 5.832 1.462 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -5.014 4.440 -0.443 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -3.850 3.681 0.624 1.00 0.00 H new ATOM 0 HE ARG A 16 -5.245 1.825 0.839 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -7.041 4.535 -0.575 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -8.451 3.544 -0.965 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -7.068 0.567 0.326 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -8.466 1.312 -0.457 1.00 0.00 H new ATOM 254 N THR A 17 -5.593 1.551 5.286 1.00 0.00 N ATOM 255 CA THR A 17 -4.994 0.343 5.850 1.00 0.00 C ATOM 256 C THR A 17 -5.782 -0.896 5.425 1.00 0.00 C ATOM 257 O THR A 17 -6.934 -1.079 5.825 1.00 0.00 O ATOM 258 CB THR A 17 -4.914 0.440 7.382 1.00 0.00 C ATOM 259 OG1 THR A 17 -6.193 0.290 7.981 1.00 0.00 O ATOM 260 CG2 THR A 17 -4.335 1.750 7.874 1.00 0.00 C ATOM 0 H THR A 17 -6.403 1.898 5.800 1.00 0.00 H new ATOM 0 HA THR A 17 -3.979 0.251 5.463 1.00 0.00 H new ATOM 0 HB THR A 17 -4.249 -0.373 7.674 1.00 0.00 H new ATOM 0 HG1 THR A 17 -6.799 -0.152 7.351 1.00 0.00 H new ATOM 0 HG21 THR A 17 -4.308 1.750 8.964 1.00 0.00 H new ATOM 0 HG22 THR A 17 -3.323 1.869 7.486 1.00 0.00 H new ATOM 0 HG23 THR A 17 -4.956 2.576 7.527 1.00 0.00 H new ATOM 268 N VAL A 18 -5.158 -1.740 4.604 1.00 0.00 N ATOM 269 CA VAL A 18 -5.803 -2.958 4.114 1.00 0.00 C ATOM 270 C VAL A 18 -4.825 -4.134 4.097 1.00 0.00 C ATOM 271 O VAL A 18 -3.636 -3.962 3.815 1.00 0.00 O ATOM 272 CB VAL A 18 -6.374 -2.763 2.690 1.00 0.00 C ATOM 273 CG1 VAL A 18 -7.384 -3.854 2.359 1.00 0.00 C ATOM 274 CG2 VAL A 18 -7.006 -1.385 2.539 1.00 0.00 C ATOM 0 H VAL A 18 -4.206 -1.603 4.264 1.00 0.00 H new ATOM 0 HA VAL A 18 -6.621 -3.176 4.801 1.00 0.00 H new ATOM 0 HB VAL A 18 -5.546 -2.836 1.984 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -7.773 -3.697 1.353 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -6.898 -4.828 2.412 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -8.205 -3.819 3.075 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -7.400 -1.274 1.529 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -7.817 -1.276 3.259 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -6.254 -0.618 2.722 1.00 0.00 H new ATOM 284 N ARG A 19 -5.335 -5.330 4.394 1.00 0.00 N ATOM 285 CA ARG A 19 -4.513 -6.542 4.406 1.00 0.00 C ATOM 286 C ARG A 19 -5.177 -7.653 3.594 1.00 0.00 C ATOM 287 O ARG A 19 -6.390 -7.629 3.370 1.00 0.00 O ATOM 288 CB ARG A 19 -4.273 -7.019 5.842 1.00 0.00 C ATOM 289 CG ARG A 19 -3.469 -6.041 6.687 1.00 0.00 C ATOM 290 CD ARG A 19 -2.733 -6.750 7.815 1.00 0.00 C ATOM 291 NE ARG A 19 -2.911 -6.073 9.098 1.00 0.00 N ATOM 292 CZ ARG A 19 -4.006 -6.184 9.856 1.00 0.00 C ATOM 293 NH1 ARG A 19 -5.029 -6.940 9.462 1.00 0.00 N ATOM 294 NH2 ARG A 19 -4.079 -5.535 11.013 1.00 0.00 N ATOM 0 H ARG A 19 -6.315 -5.486 4.630 1.00 0.00 H new ATOM 0 HA ARG A 19 -3.552 -6.301 3.951 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -5.236 -7.194 6.323 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -3.751 -7.976 5.815 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -2.751 -5.518 6.055 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -4.135 -5.286 7.104 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -3.093 -7.776 7.894 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -1.670 -6.802 7.577 1.00 0.00 H new ATOM 0 HE ARG A 19 -2.153 -5.480 9.435 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -4.981 -7.441 8.575 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -5.860 -7.018 10.048 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -3.300 -4.953 11.321 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -4.914 -5.619 11.593 1.00 0.00 H new ATOM 308 N VAL A 20 -4.379 -8.625 3.151 1.00 0.00 N ATOM 309 CA VAL A 20 -4.896 -9.742 2.362 1.00 0.00 C ATOM 310 C VAL A 20 -5.006 -11.019 3.197 1.00 0.00 C ATOM 311 O VAL A 20 -4.105 -11.349 3.970 1.00 0.00 O ATOM 312 CB VAL A 20 -4.024 -10.015 1.114 1.00 0.00 C ATOM 313 CG1 VAL A 20 -2.628 -10.480 1.510 1.00 0.00 C ATOM 314 CG2 VAL A 20 -4.691 -11.036 0.202 1.00 0.00 C ATOM 0 H VAL A 20 -3.375 -8.661 3.325 1.00 0.00 H new ATOM 0 HA VAL A 20 -5.893 -9.450 2.033 1.00 0.00 H new ATOM 0 HB VAL A 20 -3.924 -9.078 0.566 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -2.038 -10.664 0.612 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -2.145 -9.709 2.111 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -2.702 -11.399 2.091 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -4.060 -11.213 -0.669 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -4.831 -11.971 0.744 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -5.660 -10.656 -0.123 1.00 0.00 H new ATOM 324 N ASP A 21 -6.121 -11.731 3.027 1.00 0.00 N ATOM 325 CA ASP A 21 -6.368 -12.977 3.750 1.00 0.00 C ATOM 326 C ASP A 21 -6.788 -14.089 2.792 1.00 0.00 C ATOM 327 O ASP A 21 -6.253 -15.198 2.839 1.00 0.00 O ATOM 328 CB ASP A 21 -7.446 -12.763 4.813 1.00 0.00 C ATOM 329 CG ASP A 21 -6.863 -12.617 6.205 1.00 0.00 C ATOM 330 OD1 ASP A 21 -6.581 -13.653 6.843 1.00 0.00 O ATOM 331 OD2 ASP A 21 -6.684 -11.465 6.655 1.00 0.00 O ATOM 0 H ASP A 21 -6.871 -11.463 2.390 1.00 0.00 H new ATOM 0 HA ASP A 21 -5.441 -13.279 4.238 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -8.022 -11.871 4.568 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -8.139 -13.604 4.798 1.00 0.00 H new ATOM 336 N VAL A 22 -7.750 -13.778 1.924 1.00 0.00 N ATOM 337 CA VAL A 22 -8.254 -14.733 0.947 1.00 0.00 C ATOM 338 C VAL A 22 -7.411 -14.719 -0.329 1.00 0.00 C ATOM 339 O VAL A 22 -6.622 -13.798 -0.551 1.00 0.00 O ATOM 340 CB VAL A 22 -9.723 -14.434 0.579 1.00 0.00 C ATOM 341 CG1 VAL A 22 -10.658 -14.859 1.700 1.00 0.00 C ATOM 342 CG2 VAL A 22 -9.911 -12.958 0.241 1.00 0.00 C ATOM 0 H VAL A 22 -8.197 -12.862 1.881 1.00 0.00 H new ATOM 0 HA VAL A 22 -8.192 -15.719 1.408 1.00 0.00 H new ATOM 0 HB VAL A 22 -9.974 -15.015 -0.308 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -11.688 -14.639 1.418 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -10.551 -15.929 1.877 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -10.406 -14.314 2.610 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -10.954 -12.773 -0.015 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -9.635 -12.350 1.102 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -9.278 -12.695 -0.606 1.00 0.00 H new ATOM 352 N ASP A 23 -7.589 -15.742 -1.165 1.00 0.00 N ATOM 353 CA ASP A 23 -6.850 -15.847 -2.420 1.00 0.00 C ATOM 354 C ASP A 23 -7.787 -15.699 -3.618 1.00 0.00 C ATOM 355 O ASP A 23 -8.701 -16.505 -3.806 1.00 0.00 O ATOM 356 CB ASP A 23 -6.115 -17.187 -2.496 1.00 0.00 C ATOM 357 CG ASP A 23 -4.715 -17.113 -1.920 1.00 0.00 C ATOM 358 OD1 ASP A 23 -3.802 -16.656 -2.640 1.00 0.00 O ATOM 359 OD2 ASP A 23 -4.532 -17.510 -0.751 1.00 0.00 O ATOM 0 H ASP A 23 -8.239 -16.509 -0.994 1.00 0.00 H new ATOM 0 HA ASP A 23 -6.119 -15.039 -2.450 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -6.687 -17.943 -1.957 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -6.060 -17.510 -3.536 1.00 0.00 H new ATOM 364 N GLY A 24 -7.552 -14.662 -4.422 1.00 0.00 N ATOM 365 CA GLY A 24 -8.376 -14.420 -5.596 1.00 0.00 C ATOM 366 C GLY A 24 -7.554 -14.033 -6.813 1.00 0.00 C ATOM 367 O GLY A 24 -6.490 -14.603 -7.055 1.00 0.00 O ATOM 0 H GLY A 24 -6.803 -13.984 -4.280 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -8.954 -15.316 -5.822 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -9.091 -13.627 -5.377 1.00 0.00 H new ATOM 371 N ASP A 25 -8.051 -13.063 -7.584 1.00 0.00 N ATOM 372 CA ASP A 25 -7.354 -12.602 -8.788 1.00 0.00 C ATOM 373 C ASP A 25 -6.823 -11.175 -8.612 1.00 0.00 C ATOM 374 O ASP A 25 -6.726 -10.417 -9.580 1.00 0.00 O ATOM 375 CB ASP A 25 -8.291 -12.674 -9.997 1.00 0.00 C ATOM 376 CG ASP A 25 -8.195 -14.000 -10.728 1.00 0.00 C ATOM 377 OD1 ASP A 25 -8.535 -15.039 -10.120 1.00 0.00 O ATOM 378 OD2 ASP A 25 -7.781 -14.000 -11.906 1.00 0.00 O ATOM 0 H ASP A 25 -8.931 -12.582 -7.397 1.00 0.00 H new ATOM 0 HA ASP A 25 -6.500 -13.258 -8.957 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -9.318 -12.518 -9.666 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -8.052 -11.864 -10.687 1.00 0.00 H new ATOM 383 N ALA A 26 -6.473 -10.817 -7.376 1.00 0.00 N ATOM 384 CA ALA A 26 -5.946 -9.489 -7.078 1.00 0.00 C ATOM 385 C ALA A 26 -4.421 -9.513 -7.000 1.00 0.00 C ATOM 386 O ALA A 26 -3.832 -10.507 -6.570 1.00 0.00 O ATOM 387 CB ALA A 26 -6.538 -8.968 -5.775 1.00 0.00 C ATOM 0 H ALA A 26 -6.546 -11.431 -6.565 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.233 -8.817 -7.887 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.137 -7.977 -5.564 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -7.623 -8.909 -5.866 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.279 -9.645 -4.961 1.00 0.00 H new ATOM 393 N THR A 27 -3.785 -8.418 -7.420 1.00 0.00 N ATOM 394 CA THR A 27 -2.326 -8.322 -7.396 1.00 0.00 C ATOM 395 C THR A 27 -1.864 -7.147 -6.539 1.00 0.00 C ATOM 396 O THR A 27 -2.662 -6.285 -6.166 1.00 0.00 O ATOM 397 CB THR A 27 -1.764 -8.188 -8.818 1.00 0.00 C ATOM 398 OG1 THR A 27 -2.804 -8.133 -9.780 1.00 0.00 O ATOM 399 CG2 THR A 27 -0.847 -9.328 -9.197 1.00 0.00 C ATOM 0 H THR A 27 -4.256 -7.588 -7.780 1.00 0.00 H new ATOM 0 HA THR A 27 -1.944 -9.242 -6.953 1.00 0.00 H new ATOM 0 HB THR A 27 -1.194 -7.259 -8.815 1.00 0.00 H new ATOM 0 HG1 THR A 27 -2.417 -8.046 -10.676 1.00 0.00 H new ATOM 0 HG21 THR A 27 -0.481 -9.178 -10.213 1.00 0.00 H new ATOM 0 HG22 THR A 27 -0.003 -9.360 -8.508 1.00 0.00 H new ATOM 0 HG23 THR A 27 -1.395 -10.269 -9.144 1.00 0.00 H new ATOM 407 N VAL A 28 -0.564 -7.114 -6.240 1.00 0.00 N ATOM 408 CA VAL A 28 0.010 -6.041 -5.434 1.00 0.00 C ATOM 409 C VAL A 28 0.204 -4.787 -6.278 1.00 0.00 C ATOM 410 O VAL A 28 -0.008 -3.673 -5.802 1.00 0.00 O ATOM 411 CB VAL A 28 1.358 -6.446 -4.786 1.00 0.00 C ATOM 412 CG1 VAL A 28 1.116 -7.293 -3.545 1.00 0.00 C ATOM 413 CG2 VAL A 28 2.255 -7.185 -5.773 1.00 0.00 C ATOM 0 H VAL A 28 0.108 -7.818 -6.545 1.00 0.00 H new ATOM 0 HA VAL A 28 -0.697 -5.838 -4.629 1.00 0.00 H new ATOM 0 HB VAL A 28 1.874 -5.532 -4.493 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.072 -7.570 -3.101 1.00 0.00 H new ATOM 0 HG12 VAL A 28 0.532 -6.722 -2.823 1.00 0.00 H new ATOM 0 HG13 VAL A 28 0.570 -8.195 -3.821 1.00 0.00 H new ATOM 0 HG21 VAL A 28 3.191 -7.453 -5.283 1.00 0.00 H new ATOM 0 HG22 VAL A 28 1.752 -8.090 -6.115 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.464 -6.541 -6.627 1.00 0.00 H new ATOM 423 N GLY A 29 0.583 -4.981 -7.542 1.00 0.00 N ATOM 424 CA GLY A 29 0.769 -3.863 -8.438 1.00 0.00 C ATOM 425 C GLY A 29 -0.550 -3.347 -8.979 1.00 0.00 C ATOM 426 O GLY A 29 -0.692 -2.152 -9.240 1.00 0.00 O ATOM 0 H GLY A 29 0.763 -5.896 -7.956 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.286 -3.059 -7.913 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.408 -4.165 -9.267 1.00 0.00 H new ATOM 430 N ASP A 30 -1.522 -4.255 -9.133 1.00 0.00 N ATOM 431 CA ASP A 30 -2.851 -3.899 -9.632 1.00 0.00 C ATOM 432 C ASP A 30 -3.421 -2.716 -8.846 1.00 0.00 C ATOM 433 O ASP A 30 -4.001 -1.795 -9.422 1.00 0.00 O ATOM 434 CB ASP A 30 -3.787 -5.110 -9.531 1.00 0.00 C ATOM 435 CG ASP A 30 -5.234 -4.773 -9.847 1.00 0.00 C ATOM 436 OD1 ASP A 30 -5.513 -4.348 -10.989 1.00 0.00 O ATOM 437 OD2 ASP A 30 -6.089 -4.937 -8.950 1.00 0.00 O ATOM 0 H ASP A 30 -1.409 -5.246 -8.917 1.00 0.00 H new ATOM 0 HA ASP A 30 -2.766 -3.604 -10.678 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -3.443 -5.886 -10.215 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -3.728 -5.524 -8.524 1.00 0.00 H new ATOM 442 N ALA A 31 -3.235 -2.747 -7.523 1.00 0.00 N ATOM 443 CA ALA A 31 -3.711 -1.681 -6.647 1.00 0.00 C ATOM 444 C ALA A 31 -2.645 -0.600 -6.465 1.00 0.00 C ATOM 445 O ALA A 31 -2.974 0.571 -6.280 1.00 0.00 O ATOM 446 CB ALA A 31 -4.125 -2.245 -5.293 1.00 0.00 C ATOM 0 H ALA A 31 -2.755 -3.504 -7.037 1.00 0.00 H new ATOM 0 HA ALA A 31 -4.582 -1.225 -7.119 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.477 -1.435 -4.654 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -4.925 -2.972 -5.431 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -3.269 -2.731 -4.824 1.00 0.00 H new ATOM 452 N LEU A 32 -1.371 -0.995 -6.519 1.00 0.00 N ATOM 453 CA LEU A 32 -0.267 -0.050 -6.362 1.00 0.00 C ATOM 454 C LEU A 32 -0.337 1.053 -7.418 1.00 0.00 C ATOM 455 O LEU A 32 -0.373 2.234 -7.083 1.00 0.00 O ATOM 456 CB LEU A 32 1.083 -0.776 -6.452 1.00 0.00 C ATOM 457 CG LEU A 32 2.276 -0.010 -5.868 1.00 0.00 C ATOM 458 CD1 LEU A 32 2.728 -0.641 -4.557 1.00 0.00 C ATOM 459 CD2 LEU A 32 3.426 0.030 -6.868 1.00 0.00 C ATOM 0 H LEU A 32 -1.080 -1.961 -6.670 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.357 0.407 -5.377 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.998 -1.733 -5.936 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.290 -0.996 -7.499 1.00 0.00 H new ATOM 0 HG LEU A 32 1.961 1.014 -5.665 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.575 -0.084 -4.158 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.908 -0.617 -3.840 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.025 -1.675 -4.734 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.264 0.577 -6.437 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.739 -0.987 -7.103 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.098 0.528 -7.780 1.00 0.00 H new ATOM 471 N ASP A 33 -0.359 0.658 -8.692 1.00 0.00 N ATOM 472 CA ASP A 33 -0.424 1.616 -9.797 1.00 0.00 C ATOM 473 C ASP A 33 -1.648 2.524 -9.684 1.00 0.00 C ATOM 474 O ASP A 33 -1.581 3.707 -10.015 1.00 0.00 O ATOM 475 CB ASP A 33 -0.439 0.880 -11.140 1.00 0.00 C ATOM 476 CG ASP A 33 -0.500 1.825 -12.326 1.00 0.00 C ATOM 477 OD1 ASP A 33 0.419 2.658 -12.471 1.00 0.00 O ATOM 478 OD2 ASP A 33 -1.468 1.731 -13.108 1.00 0.00 O ATOM 0 H ASP A 33 -0.333 -0.319 -8.984 1.00 0.00 H new ATOM 0 HA ASP A 33 0.465 2.244 -9.741 1.00 0.00 H new ATOM 0 HB2 ASP A 33 0.454 0.261 -11.220 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -1.297 0.208 -11.172 1.00 0.00 H new ATOM 483 N ALA A 34 -2.765 1.968 -9.208 1.00 0.00 N ATOM 484 CA ALA A 34 -3.992 2.741 -9.045 1.00 0.00 C ATOM 485 C ALA A 34 -3.870 3.692 -7.857 1.00 0.00 C ATOM 486 O ALA A 34 -4.073 4.899 -7.993 1.00 0.00 O ATOM 487 CB ALA A 34 -5.191 1.818 -8.868 1.00 0.00 C ATOM 0 H ALA A 34 -2.842 0.989 -8.931 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.146 3.332 -9.948 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -6.095 2.415 -8.748 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -5.291 1.180 -9.746 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -5.046 1.198 -7.983 1.00 0.00 H new ATOM 493 N LEU A 35 -3.523 3.134 -6.694 1.00 0.00 N ATOM 494 CA LEU A 35 -3.360 3.924 -5.473 1.00 0.00 C ATOM 495 C LEU A 35 -2.250 4.967 -5.631 1.00 0.00 C ATOM 496 O LEU A 35 -2.256 5.990 -4.948 1.00 0.00 O ATOM 497 CB LEU A 35 -3.052 3.008 -4.281 1.00 0.00 C ATOM 498 CG LEU A 35 -4.270 2.552 -3.470 1.00 0.00 C ATOM 499 CD1 LEU A 35 -5.315 1.905 -4.372 1.00 0.00 C ATOM 500 CD2 LEU A 35 -3.843 1.590 -2.369 1.00 0.00 C ATOM 0 H LEU A 35 -3.349 2.136 -6.573 1.00 0.00 H new ATOM 0 HA LEU A 35 -4.297 4.449 -5.288 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -2.530 2.124 -4.649 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.366 3.528 -3.613 1.00 0.00 H new ATOM 0 HG LEU A 35 -4.721 3.431 -3.009 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -6.169 1.590 -3.772 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -5.644 2.624 -5.122 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -4.880 1.037 -4.868 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -4.719 1.275 -1.801 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -3.365 0.717 -2.814 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -3.139 2.089 -1.703 1.00 0.00 H new ATOM 512 N VAL A 36 -1.299 4.704 -6.526 1.00 0.00 N ATOM 513 CA VAL A 36 -0.195 5.631 -6.760 1.00 0.00 C ATOM 514 C VAL A 36 -0.521 6.611 -7.887 1.00 0.00 C ATOM 515 O VAL A 36 -0.286 7.813 -7.756 1.00 0.00 O ATOM 516 CB VAL A 36 1.114 4.889 -7.101 1.00 0.00 C ATOM 517 CG1 VAL A 36 2.215 5.882 -7.451 1.00 0.00 C ATOM 518 CG2 VAL A 36 1.541 3.994 -5.947 1.00 0.00 C ATOM 0 H VAL A 36 -1.271 3.860 -7.098 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.054 6.183 -5.831 1.00 0.00 H new ATOM 0 HB VAL A 36 0.934 4.257 -7.971 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.131 5.341 -7.689 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.910 6.475 -8.313 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.393 6.542 -6.602 1.00 0.00 H new ATOM 0 HG21 VAL A 36 2.466 3.480 -6.208 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.702 4.601 -5.056 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.761 3.259 -5.749 1.00 0.00 H new ATOM 528 N GLY A 37 -1.056 6.092 -8.995 1.00 0.00 N ATOM 529 CA GLY A 37 -1.398 6.939 -10.129 1.00 0.00 C ATOM 530 C GLY A 37 -2.384 8.032 -9.771 1.00 0.00 C ATOM 531 O GLY A 37 -2.251 9.170 -10.224 1.00 0.00 O ATOM 0 H GLY A 37 -1.258 5.101 -9.126 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -0.489 7.392 -10.525 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.819 6.322 -10.923 1.00 0.00 H new ATOM 535 N ALA A 38 -3.373 7.686 -8.951 1.00 0.00 N ATOM 536 CA ALA A 38 -4.389 8.646 -8.524 1.00 0.00 C ATOM 537 C ALA A 38 -4.158 9.083 -7.079 1.00 0.00 C ATOM 538 O ALA A 38 -4.028 10.273 -6.797 1.00 0.00 O ATOM 539 CB ALA A 38 -5.781 8.053 -8.688 1.00 0.00 C ATOM 0 H ALA A 38 -3.493 6.748 -8.569 1.00 0.00 H new ATOM 0 HA ALA A 38 -4.310 9.529 -9.158 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -6.526 8.780 -8.366 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -5.948 7.802 -9.735 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -5.867 7.152 -8.080 1.00 0.00 H new ATOM 545 N HIS A 39 -4.111 8.105 -6.171 1.00 0.00 N ATOM 546 CA HIS A 39 -3.894 8.355 -4.749 1.00 0.00 C ATOM 547 C HIS A 39 -5.119 8.976 -4.092 1.00 0.00 C ATOM 548 O HIS A 39 -5.021 10.023 -3.452 1.00 0.00 O ATOM 549 CB HIS A 39 -2.669 9.249 -4.535 1.00 0.00 C ATOM 550 CG HIS A 39 -1.725 8.747 -3.483 1.00 0.00 C ATOM 551 ND1 HIS A 39 -2.086 7.832 -2.515 1.00 0.00 N ATOM 552 CD2 HIS A 39 -0.425 9.039 -3.256 1.00 0.00 C ATOM 553 CE1 HIS A 39 -1.048 7.585 -1.738 1.00 0.00 C ATOM 554 NE2 HIS A 39 -0.027 8.305 -2.166 1.00 0.00 N ATOM 0 H HIS A 39 -4.223 7.118 -6.404 1.00 0.00 H new ATOM 0 HA HIS A 39 -3.714 7.390 -4.275 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -2.130 9.342 -5.478 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -3.005 10.249 -4.260 1.00 0.00 H new ATOM 0 HD2 HIS A 39 0.187 9.723 -3.826 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -1.036 6.909 -0.896 1.00 0.00 H new ATOM 0 HE2 HIS A 39 0.906 8.314 -1.754 1.00 0.00 H new ATOM 563 N PRO A 40 -6.293 8.320 -4.203 1.00 0.00 N ATOM 564 CA PRO A 40 -7.525 8.812 -3.580 1.00 0.00 C ATOM 565 C PRO A 40 -7.344 9.085 -2.088 1.00 0.00 C ATOM 566 O PRO A 40 -8.141 9.807 -1.485 1.00 0.00 O ATOM 567 CB PRO A 40 -8.520 7.674 -3.788 1.00 0.00 C ATOM 568 CG PRO A 40 -8.004 6.922 -4.964 1.00 0.00 C ATOM 569 CD PRO A 40 -6.507 7.043 -4.912 1.00 0.00 C ATOM 0 HA PRO A 40 -7.847 9.758 -4.015 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -8.580 7.036 -2.906 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -9.524 8.056 -3.973 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -8.312 5.877 -4.924 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -8.396 7.335 -5.893 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -6.054 6.207 -4.379 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -6.070 7.059 -5.910 1.00 0.00 H new ATOM 577 N ALA A 41 -6.283 8.519 -1.501 1.00 0.00 N ATOM 578 CA ALA A 41 -5.994 8.722 -0.091 1.00 0.00 C ATOM 579 C ALA A 41 -5.852 10.210 0.208 1.00 0.00 C ATOM 580 O ALA A 41 -6.331 10.697 1.228 1.00 0.00 O ATOM 581 CB ALA A 41 -4.729 7.970 0.306 1.00 0.00 C ATOM 0 H ALA A 41 -5.616 7.919 -1.986 1.00 0.00 H new ATOM 0 HA ALA A 41 -6.823 8.329 0.497 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -4.526 8.132 1.365 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -4.866 6.904 0.122 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -3.888 8.335 -0.284 1.00 0.00 H new ATOM 587 N LEU A 42 -5.198 10.927 -0.703 1.00 0.00 N ATOM 588 CA LEU A 42 -4.998 12.361 -0.542 1.00 0.00 C ATOM 589 C LEU A 42 -5.303 13.124 -1.838 1.00 0.00 C ATOM 590 O LEU A 42 -4.962 14.302 -1.960 1.00 0.00 O ATOM 591 CB LEU A 42 -3.565 12.649 -0.079 1.00 0.00 C ATOM 592 CG LEU A 42 -2.467 11.844 -0.785 1.00 0.00 C ATOM 593 CD1 LEU A 42 -1.158 12.616 -0.777 1.00 0.00 C ATOM 594 CD2 LEU A 42 -2.289 10.485 -0.124 1.00 0.00 C ATOM 0 H LEU A 42 -4.799 10.538 -1.557 1.00 0.00 H new ATOM 0 HA LEU A 42 -5.696 12.710 0.219 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -3.362 13.710 -0.223 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.502 12.454 0.992 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.769 11.683 -1.820 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.388 12.032 -1.282 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -1.292 13.565 -1.296 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -0.854 12.805 0.252 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.506 9.929 -0.640 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -2.009 10.622 0.920 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -3.225 9.928 -0.179 1.00 0.00 H new ATOM 606 N GLU A 43 -5.947 12.455 -2.805 1.00 0.00 N ATOM 607 CA GLU A 43 -6.286 13.091 -4.075 1.00 0.00 C ATOM 608 C GLU A 43 -7.777 12.979 -4.374 1.00 0.00 C ATOM 609 O GLU A 43 -8.313 11.878 -4.510 1.00 0.00 O ATOM 610 CB GLU A 43 -5.478 12.471 -5.216 1.00 0.00 C ATOM 611 CG GLU A 43 -4.048 12.979 -5.289 1.00 0.00 C ATOM 612 CD GLU A 43 -3.880 14.111 -6.287 1.00 0.00 C ATOM 613 OE1 GLU A 43 -4.472 15.190 -6.068 1.00 0.00 O ATOM 614 OE2 GLU A 43 -3.158 13.919 -7.287 1.00 0.00 O ATOM 0 H GLU A 43 -6.240 11.481 -2.728 1.00 0.00 H new ATOM 0 HA GLU A 43 -6.035 14.148 -3.991 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -5.465 11.388 -5.095 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -5.979 12.680 -6.161 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -3.737 13.321 -4.302 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -3.388 12.156 -5.564 1.00 0.00 H new ATOM 621 N SER A 44 -8.437 14.133 -4.480 1.00 0.00 N ATOM 622 CA SER A 44 -9.870 14.186 -4.772 1.00 0.00 C ATOM 623 C SER A 44 -10.137 14.365 -6.273 1.00 0.00 C ATOM 624 O SER A 44 -11.283 14.572 -6.679 1.00 0.00 O ATOM 625 CB SER A 44 -10.525 15.326 -3.985 1.00 0.00 C ATOM 626 OG SER A 44 -10.617 15.009 -2.607 1.00 0.00 O ATOM 0 H SER A 44 -8.000 15.048 -4.367 1.00 0.00 H new ATOM 0 HA SER A 44 -10.306 13.235 -4.467 1.00 0.00 H new ATOM 0 HB2 SER A 44 -9.945 16.240 -4.113 1.00 0.00 H new ATOM 0 HB3 SER A 44 -11.521 15.522 -4.383 1.00 0.00 H new ATOM 0 HG SER A 44 -11.037 15.753 -2.127 1.00 0.00 H new ATOM 632 N ARG A 45 -9.077 14.291 -7.097 1.00 0.00 N ATOM 633 CA ARG A 45 -9.201 14.453 -8.549 1.00 0.00 C ATOM 634 C ARG A 45 -9.500 15.914 -8.918 1.00 0.00 C ATOM 635 O ARG A 45 -10.181 16.186 -9.910 1.00 0.00 O ATOM 636 CB ARG A 45 -10.296 13.527 -9.103 1.00 0.00 C ATOM 637 CG ARG A 45 -10.133 13.187 -10.579 1.00 0.00 C ATOM 638 CD ARG A 45 -11.387 12.531 -11.146 1.00 0.00 C ATOM 639 NE ARG A 45 -11.091 11.638 -12.268 1.00 0.00 N ATOM 640 CZ ARG A 45 -10.469 10.460 -12.147 1.00 0.00 C ATOM 641 NH1 ARG A 45 -10.061 10.031 -10.953 1.00 0.00 N ATOM 642 NH2 ARG A 45 -10.256 9.707 -13.220 1.00 0.00 N ATOM 0 H ARG A 45 -8.124 14.119 -6.777 1.00 0.00 H new ATOM 0 HA ARG A 45 -8.248 14.177 -9.001 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -10.301 12.602 -8.526 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -11.267 14.000 -8.955 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -9.912 14.095 -11.140 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -9.282 12.518 -10.707 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -11.887 11.967 -10.358 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -12.082 13.304 -11.474 1.00 0.00 H new ATOM 0 HE ARG A 45 -11.377 11.933 -13.201 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -10.222 10.602 -10.123 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -9.587 9.132 -10.869 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -10.567 10.027 -14.137 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -9.782 8.809 -13.127 1.00 0.00 H new ATOM 656 N VAL A 46 -8.983 16.852 -8.114 1.00 0.00 N ATOM 657 CA VAL A 46 -9.192 18.279 -8.357 1.00 0.00 C ATOM 658 C VAL A 46 -8.274 19.137 -7.475 1.00 0.00 C ATOM 659 O VAL A 46 -8.652 19.557 -6.380 1.00 0.00 O ATOM 660 CB VAL A 46 -10.671 18.672 -8.130 1.00 0.00 C ATOM 661 CG1 VAL A 46 -11.130 18.315 -6.720 1.00 0.00 C ATOM 662 CG2 VAL A 46 -10.890 20.153 -8.419 1.00 0.00 C ATOM 0 H VAL A 46 -8.418 16.645 -7.291 1.00 0.00 H new ATOM 0 HA VAL A 46 -8.939 18.470 -9.400 1.00 0.00 H new ATOM 0 HB VAL A 46 -11.279 18.098 -8.829 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -12.173 18.604 -6.593 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -11.030 17.241 -6.566 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -10.515 18.845 -5.992 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -11.937 20.405 -8.252 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -10.263 20.750 -7.756 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -10.626 20.364 -9.455 1.00 0.00 H new ATOM 672 N PHE A 47 -7.061 19.393 -7.969 1.00 0.00 N ATOM 673 CA PHE A 47 -6.081 20.197 -7.236 1.00 0.00 C ATOM 674 C PHE A 47 -5.041 20.798 -8.182 1.00 0.00 C ATOM 675 O PHE A 47 -4.144 20.099 -8.659 1.00 0.00 O ATOM 676 CB PHE A 47 -5.384 19.348 -6.166 1.00 0.00 C ATOM 677 CG PHE A 47 -5.938 19.555 -4.783 1.00 0.00 C ATOM 678 CD1 PHE A 47 -5.597 20.678 -4.046 1.00 0.00 C ATOM 679 CD2 PHE A 47 -6.802 18.628 -4.224 1.00 0.00 C ATOM 680 CE1 PHE A 47 -6.106 20.871 -2.777 1.00 0.00 C ATOM 681 CE2 PHE A 47 -7.314 18.815 -2.955 1.00 0.00 C ATOM 682 CZ PHE A 47 -6.966 19.939 -2.230 1.00 0.00 C ATOM 0 H PHE A 47 -6.734 19.055 -8.874 1.00 0.00 H new ATOM 0 HA PHE A 47 -6.616 21.013 -6.751 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -5.476 18.295 -6.432 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -4.320 19.584 -6.162 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -4.926 21.411 -4.469 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -7.079 17.749 -4.787 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -5.832 21.750 -2.213 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -7.985 18.084 -2.530 1.00 0.00 H new ATOM 0 HZ PHE A 47 -7.366 20.088 -1.238 1.00 0.00 H new ATOM 692 N GLY A 48 -5.170 22.101 -8.448 1.00 0.00 N ATOM 693 CA GLY A 48 -4.240 22.780 -9.336 1.00 0.00 C ATOM 694 C GLY A 48 -4.444 22.396 -10.789 1.00 0.00 C ATOM 695 O GLY A 48 -5.076 23.130 -11.548 1.00 0.00 O ATOM 0 H GLY A 48 -5.903 22.696 -8.063 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -4.359 23.858 -9.228 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -3.219 22.541 -9.040 1.00 0.00 H new ATOM 699 N ASP A 49 -3.907 21.238 -11.168 1.00 0.00 N ATOM 700 CA ASP A 49 -4.027 20.734 -12.534 1.00 0.00 C ATOM 701 C ASP A 49 -3.520 19.299 -12.620 1.00 0.00 C ATOM 702 O ASP A 49 -4.277 18.380 -12.938 1.00 0.00 O ATOM 703 CB ASP A 49 -3.249 21.623 -13.511 1.00 0.00 C ATOM 704 CG ASP A 49 -4.037 21.918 -14.772 1.00 0.00 C ATOM 705 OD1 ASP A 49 -4.206 20.996 -15.598 1.00 0.00 O ATOM 706 OD2 ASP A 49 -4.489 23.071 -14.932 1.00 0.00 O ATOM 0 H ASP A 49 -3.381 20.627 -10.543 1.00 0.00 H new ATOM 0 HA ASP A 49 -5.081 20.753 -12.810 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -2.991 22.561 -13.019 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -2.312 21.134 -13.777 1.00 0.00 H new ATOM 711 N ASP A 50 -2.231 19.116 -12.329 1.00 0.00 N ATOM 712 CA ASP A 50 -1.610 17.794 -12.369 1.00 0.00 C ATOM 713 C ASP A 50 -1.967 16.969 -11.128 1.00 0.00 C ATOM 714 O ASP A 50 -2.009 15.739 -11.191 1.00 0.00 O ATOM 715 CB ASP A 50 -0.089 17.927 -12.486 1.00 0.00 C ATOM 716 CG ASP A 50 0.571 16.654 -12.981 1.00 0.00 C ATOM 717 OD1 ASP A 50 0.146 16.130 -14.033 1.00 0.00 O ATOM 718 OD2 ASP A 50 1.516 16.181 -12.315 1.00 0.00 O ATOM 0 H ASP A 50 -1.597 19.869 -12.063 1.00 0.00 H new ATOM 0 HA ASP A 50 -1.996 17.272 -13.245 1.00 0.00 H new ATOM 0 HB2 ASP A 50 0.149 18.744 -13.167 1.00 0.00 H new ATOM 0 HB3 ASP A 50 0.325 18.192 -11.513 1.00 0.00 H new ATOM 723 N GLY A 51 -2.216 17.647 -10.005 1.00 0.00 N ATOM 724 CA GLY A 51 -2.559 16.954 -8.773 1.00 0.00 C ATOM 725 C GLY A 51 -1.383 16.851 -7.822 1.00 0.00 C ATOM 726 O GLY A 51 -1.417 17.408 -6.723 1.00 0.00 O ATOM 0 H GLY A 51 -2.186 18.664 -9.929 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -3.377 17.479 -8.280 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.920 15.953 -9.010 1.00 0.00 H new ATOM 730 N GLU A 52 -0.336 16.140 -8.248 1.00 0.00 N ATOM 731 CA GLU A 52 0.865 15.967 -7.430 1.00 0.00 C ATOM 732 C GLU A 52 2.106 15.793 -8.306 1.00 0.00 C ATOM 733 O GLU A 52 2.009 15.373 -9.460 1.00 0.00 O ATOM 734 CB GLU A 52 0.711 14.761 -6.493 1.00 0.00 C ATOM 735 CG GLU A 52 0.285 13.478 -7.198 1.00 0.00 C ATOM 736 CD GLU A 52 1.095 12.271 -6.761 1.00 0.00 C ATOM 737 OE1 GLU A 52 0.973 11.864 -5.586 1.00 0.00 O ATOM 738 OE2 GLU A 52 1.853 11.731 -7.597 1.00 0.00 O ATOM 0 H GLU A 52 -0.297 15.675 -9.155 1.00 0.00 H new ATOM 0 HA GLU A 52 0.991 16.868 -6.829 1.00 0.00 H new ATOM 0 HB2 GLU A 52 1.659 14.586 -5.984 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -0.024 15.002 -5.725 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -0.771 13.293 -6.999 1.00 0.00 H new ATOM 0 HG3 GLU A 52 0.389 13.609 -8.275 1.00 0.00 H new ATOM 745 N LEU A 53 3.271 16.116 -7.745 1.00 0.00 N ATOM 746 CA LEU A 53 4.536 15.991 -8.468 1.00 0.00 C ATOM 747 C LEU A 53 5.445 14.962 -7.794 1.00 0.00 C ATOM 748 O LEU A 53 5.705 13.895 -8.352 1.00 0.00 O ATOM 749 CB LEU A 53 5.243 17.350 -8.552 1.00 0.00 C ATOM 750 CG LEU A 53 4.968 18.150 -9.830 1.00 0.00 C ATOM 751 CD1 LEU A 53 4.783 19.627 -9.510 1.00 0.00 C ATOM 752 CD2 LEU A 53 6.093 17.958 -10.837 1.00 0.00 C ATOM 0 H LEU A 53 3.365 16.466 -6.792 1.00 0.00 H new ATOM 0 HA LEU A 53 4.318 15.648 -9.479 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.943 17.952 -7.694 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.318 17.188 -8.468 1.00 0.00 H new ATOM 0 HG LEU A 53 4.045 17.777 -10.273 1.00 0.00 H new ATOM 0 HD11 LEU A 53 4.589 20.177 -10.431 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.940 19.749 -8.830 1.00 0.00 H new ATOM 0 HD13 LEU A 53 5.687 20.014 -9.040 1.00 0.00 H new ATOM 0 HD21 LEU A 53 5.878 18.534 -11.737 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.032 18.300 -10.403 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.175 16.902 -11.094 1.00 0.00 H new ATOM 764 N TYR A 54 5.922 15.288 -6.590 1.00 0.00 N ATOM 765 CA TYR A 54 6.797 14.391 -5.837 1.00 0.00 C ATOM 766 C TYR A 54 6.644 14.612 -4.332 1.00 0.00 C ATOM 767 O TYR A 54 6.631 15.752 -3.862 1.00 0.00 O ATOM 768 CB TYR A 54 8.258 14.601 -6.249 1.00 0.00 C ATOM 769 CG TYR A 54 8.684 13.761 -7.434 1.00 0.00 C ATOM 770 CD1 TYR A 54 9.046 12.429 -7.275 1.00 0.00 C ATOM 771 CD2 TYR A 54 8.722 14.302 -8.715 1.00 0.00 C ATOM 772 CE1 TYR A 54 9.433 11.659 -8.357 1.00 0.00 C ATOM 773 CE2 TYR A 54 9.106 13.539 -9.800 1.00 0.00 C ATOM 774 CZ TYR A 54 9.461 12.218 -9.616 1.00 0.00 C ATOM 775 OH TYR A 54 9.845 11.455 -10.697 1.00 0.00 O ATOM 0 H TYR A 54 5.716 16.168 -6.117 1.00 0.00 H new ATOM 0 HA TYR A 54 6.505 13.366 -6.067 1.00 0.00 H new ATOM 0 HB2 TYR A 54 8.411 15.654 -6.488 1.00 0.00 H new ATOM 0 HB3 TYR A 54 8.902 14.369 -5.401 1.00 0.00 H new ATOM 0 HD1 TYR A 54 9.025 11.987 -6.290 1.00 0.00 H new ATOM 0 HD2 TYR A 54 8.447 15.336 -8.863 1.00 0.00 H new ATOM 0 HE1 TYR A 54 9.712 10.625 -8.216 1.00 0.00 H new ATOM 0 HE2 TYR A 54 9.128 13.974 -10.788 1.00 0.00 H new ATOM 0 HH TYR A 54 9.809 11.999 -11.511 1.00 0.00 H new ATOM 785 N ASP A 55 6.530 13.516 -3.583 1.00 0.00 N ATOM 786 CA ASP A 55 6.378 13.583 -2.130 1.00 0.00 C ATOM 787 C ASP A 55 7.227 12.519 -1.436 1.00 0.00 C ATOM 788 O ASP A 55 7.689 11.567 -2.069 1.00 0.00 O ATOM 789 CB ASP A 55 4.906 13.408 -1.743 1.00 0.00 C ATOM 790 CG ASP A 55 4.216 14.729 -1.460 1.00 0.00 C ATOM 791 OD1 ASP A 55 4.652 15.440 -0.529 1.00 0.00 O ATOM 792 OD2 ASP A 55 3.240 15.051 -2.169 1.00 0.00 O ATOM 0 H ASP A 55 6.540 12.568 -3.960 1.00 0.00 H new ATOM 0 HA ASP A 55 6.723 14.564 -1.802 1.00 0.00 H new ATOM 0 HB2 ASP A 55 4.381 12.893 -2.548 1.00 0.00 H new ATOM 0 HB3 ASP A 55 4.839 12.771 -0.861 1.00 0.00 H new ATOM 797 N HIS A 56 7.424 12.686 -0.128 1.00 0.00 N ATOM 798 CA HIS A 56 8.212 11.740 0.659 1.00 0.00 C ATOM 799 C HIS A 56 7.316 10.923 1.585 1.00 0.00 C ATOM 800 O HIS A 56 6.542 11.480 2.364 1.00 0.00 O ATOM 801 CB HIS A 56 9.276 12.478 1.476 1.00 0.00 C ATOM 802 CG HIS A 56 10.540 12.752 0.716 1.00 0.00 C ATOM 803 ND1 HIS A 56 11.078 11.873 -0.202 1.00 0.00 N ATOM 804 CD2 HIS A 56 11.374 13.821 0.743 1.00 0.00 C ATOM 805 CE1 HIS A 56 12.187 12.387 -0.704 1.00 0.00 C ATOM 806 NE2 HIS A 56 12.389 13.567 -0.147 1.00 0.00 N ATOM 0 H HIS A 56 7.048 13.468 0.408 1.00 0.00 H new ATOM 0 HA HIS A 56 8.708 11.058 -0.032 1.00 0.00 H new ATOM 0 HB2 HIS A 56 8.861 13.423 1.826 1.00 0.00 H new ATOM 0 HB3 HIS A 56 9.516 11.888 2.361 1.00 0.00 H new ATOM 0 HD2 HIS A 56 11.261 14.707 1.351 1.00 0.00 H new ATOM 0 HE1 HIS A 56 12.821 11.921 -1.444 1.00 0.00 H new ATOM 0 HE2 HIS A 56 13.172 14.189 -0.346 1.00 0.00 H new ATOM 815 N ILE A 57 7.436 9.598 1.493 1.00 0.00 N ATOM 816 CA ILE A 57 6.648 8.685 2.319 1.00 0.00 C ATOM 817 C ILE A 57 7.432 7.408 2.603 1.00 0.00 C ATOM 818 O ILE A 57 7.819 6.689 1.678 1.00 0.00 O ATOM 819 CB ILE A 57 5.298 8.312 1.656 1.00 0.00 C ATOM 820 CG1 ILE A 57 5.510 7.848 0.208 1.00 0.00 C ATOM 821 CG2 ILE A 57 4.333 9.487 1.706 1.00 0.00 C ATOM 822 CD1 ILE A 57 5.409 6.347 0.032 1.00 0.00 C ATOM 0 H ILE A 57 8.076 9.132 0.850 1.00 0.00 H new ATOM 0 HA ILE A 57 6.438 9.209 3.251 1.00 0.00 H new ATOM 0 HB ILE A 57 4.862 7.485 2.217 1.00 0.00 H new ATOM 0 HG12 ILE A 57 4.771 8.331 -0.431 1.00 0.00 H new ATOM 0 HG13 ILE A 57 6.491 8.180 -0.131 1.00 0.00 H new ATOM 0 HG21 ILE A 57 3.391 9.205 1.235 1.00 0.00 H new ATOM 0 HG22 ILE A 57 4.151 9.764 2.744 1.00 0.00 H new ATOM 0 HG23 ILE A 57 4.764 10.335 1.174 1.00 0.00 H new ATOM 0 HD11 ILE A 57 5.569 6.092 -1.016 1.00 0.00 H new ATOM 0 HD12 ILE A 57 6.166 5.857 0.645 1.00 0.00 H new ATOM 0 HD13 ILE A 57 4.419 6.010 0.340 1.00 0.00 H new ATOM 834 N ASN A 58 7.670 7.132 3.882 1.00 0.00 N ATOM 835 CA ASN A 58 8.415 5.940 4.281 1.00 0.00 C ATOM 836 C ASN A 58 7.535 4.693 4.193 1.00 0.00 C ATOM 837 O ASN A 58 6.311 4.773 4.338 1.00 0.00 O ATOM 838 CB ASN A 58 8.961 6.103 5.702 1.00 0.00 C ATOM 839 CG ASN A 58 10.438 6.452 5.721 1.00 0.00 C ATOM 840 OD1 ASN A 58 11.238 5.852 5.002 1.00 0.00 O ATOM 841 ND2 ASN A 58 10.809 7.426 6.544 1.00 0.00 N ATOM 0 H ASN A 58 7.359 7.715 4.659 1.00 0.00 H new ATOM 0 HA ASN A 58 9.253 5.818 3.594 1.00 0.00 H new ATOM 0 HB2 ASN A 58 8.400 6.884 6.216 1.00 0.00 H new ATOM 0 HB3 ASN A 58 8.802 5.178 6.257 1.00 0.00 H new ATOM 0 HD21 ASN A 58 11.789 7.703 6.597 1.00 0.00 H new ATOM 0 HD22 ASN A 58 10.114 7.897 7.123 1.00 0.00 H new ATOM 848 N VAL A 59 8.160 3.543 3.945 1.00 0.00 N ATOM 849 CA VAL A 59 7.429 2.285 3.826 1.00 0.00 C ATOM 850 C VAL A 59 8.141 1.146 4.559 1.00 0.00 C ATOM 851 O VAL A 59 9.372 1.106 4.619 1.00 0.00 O ATOM 852 CB VAL A 59 7.230 1.903 2.343 1.00 0.00 C ATOM 853 CG1 VAL A 59 8.569 1.702 1.642 1.00 0.00 C ATOM 854 CG2 VAL A 59 6.361 0.660 2.215 1.00 0.00 C ATOM 0 H VAL A 59 9.169 3.458 3.823 1.00 0.00 H new ATOM 0 HA VAL A 59 6.455 2.436 4.291 1.00 0.00 H new ATOM 0 HB VAL A 59 6.716 2.729 1.852 1.00 0.00 H new ATOM 0 HG11 VAL A 59 8.397 1.434 0.600 1.00 0.00 H new ATOM 0 HG12 VAL A 59 9.146 2.625 1.689 1.00 0.00 H new ATOM 0 HG13 VAL A 59 9.122 0.903 2.136 1.00 0.00 H new ATOM 0 HG21 VAL A 59 6.235 0.411 1.161 1.00 0.00 H new ATOM 0 HG22 VAL A 59 6.839 -0.173 2.730 1.00 0.00 H new ATOM 0 HG23 VAL A 59 5.385 0.851 2.662 1.00 0.00 H new ATOM 864 N LEU A 60 7.355 0.222 5.108 1.00 0.00 N ATOM 865 CA LEU A 60 7.896 -0.922 5.832 1.00 0.00 C ATOM 866 C LEU A 60 7.780 -2.195 4.996 1.00 0.00 C ATOM 867 O LEU A 60 6.690 -2.558 4.556 1.00 0.00 O ATOM 868 CB LEU A 60 7.163 -1.107 7.167 1.00 0.00 C ATOM 869 CG LEU A 60 8.042 -1.554 8.338 1.00 0.00 C ATOM 870 CD1 LEU A 60 8.611 -2.943 8.082 1.00 0.00 C ATOM 871 CD2 LEU A 60 9.159 -0.552 8.583 1.00 0.00 C ATOM 0 H LEU A 60 6.336 0.246 5.064 1.00 0.00 H new ATOM 0 HA LEU A 60 8.950 -0.729 6.030 1.00 0.00 H new ATOM 0 HB2 LEU A 60 6.683 -0.165 7.433 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.369 -1.841 7.029 1.00 0.00 H new ATOM 0 HG LEU A 60 7.422 -1.599 9.234 1.00 0.00 H new ATOM 0 HD11 LEU A 60 9.233 -3.243 8.926 1.00 0.00 H new ATOM 0 HD12 LEU A 60 7.794 -3.655 7.963 1.00 0.00 H new ATOM 0 HD13 LEU A 60 9.214 -2.927 7.174 1.00 0.00 H new ATOM 0 HD21 LEU A 60 9.772 -0.888 9.419 1.00 0.00 H new ATOM 0 HD22 LEU A 60 9.777 -0.471 7.689 1.00 0.00 H new ATOM 0 HD23 LEU A 60 8.729 0.422 8.817 1.00 0.00 H new ATOM 883 N ARG A 61 8.912 -2.863 4.782 1.00 0.00 N ATOM 884 CA ARG A 61 8.941 -4.097 3.999 1.00 0.00 C ATOM 885 C ARG A 61 9.658 -5.213 4.757 1.00 0.00 C ATOM 886 O ARG A 61 10.615 -4.961 5.491 1.00 0.00 O ATOM 887 CB ARG A 61 9.623 -3.859 2.646 1.00 0.00 C ATOM 888 CG ARG A 61 11.085 -3.445 2.753 1.00 0.00 C ATOM 889 CD ARG A 61 11.908 -3.994 1.595 1.00 0.00 C ATOM 890 NE ARG A 61 12.557 -2.932 0.825 1.00 0.00 N ATOM 891 CZ ARG A 61 13.356 -3.151 -0.224 1.00 0.00 C ATOM 892 NH1 ARG A 61 13.602 -4.392 -0.637 1.00 0.00 N ATOM 893 NH2 ARG A 61 13.907 -2.124 -0.861 1.00 0.00 N ATOM 0 H ARG A 61 9.821 -2.570 5.140 1.00 0.00 H new ATOM 0 HA ARG A 61 7.910 -4.407 3.826 1.00 0.00 H new ATOM 0 HB2 ARG A 61 9.557 -4.771 2.052 1.00 0.00 H new ATOM 0 HB3 ARG A 61 9.076 -3.086 2.106 1.00 0.00 H new ATOM 0 HG2 ARG A 61 11.156 -2.357 2.767 1.00 0.00 H new ATOM 0 HG3 ARG A 61 11.498 -3.804 3.696 1.00 0.00 H new ATOM 0 HD2 ARG A 61 12.666 -4.675 1.981 1.00 0.00 H new ATOM 0 HD3 ARG A 61 11.263 -4.575 0.936 1.00 0.00 H new ATOM 0 HE ARG A 61 12.389 -1.966 1.106 1.00 0.00 H new ATOM 0 HH11 ARG A 61 13.180 -5.184 -0.152 1.00 0.00 H new ATOM 0 HH12 ARG A 61 14.213 -4.551 -1.438 1.00 0.00 H new ATOM 0 HH21 ARG A 61 13.720 -1.171 -0.549 1.00 0.00 H new ATOM 0 HH22 ARG A 61 14.517 -2.288 -1.662 1.00 0.00 H new ATOM 907 N ASN A 62 9.189 -6.447 4.569 1.00 0.00 N ATOM 908 CA ASN A 62 9.786 -7.610 5.230 1.00 0.00 C ATOM 909 C ASN A 62 11.253 -7.797 4.829 1.00 0.00 C ATOM 910 O ASN A 62 12.035 -8.388 5.576 1.00 0.00 O ATOM 911 CB ASN A 62 8.988 -8.877 4.899 1.00 0.00 C ATOM 912 CG ASN A 62 8.741 -9.749 6.119 1.00 0.00 C ATOM 913 OD1 ASN A 62 9.082 -9.379 7.242 1.00 0.00 O ATOM 914 ND2 ASN A 62 8.145 -10.917 5.905 1.00 0.00 N ATOM 0 H ASN A 62 8.398 -6.668 3.965 1.00 0.00 H new ATOM 0 HA ASN A 62 9.752 -7.431 6.305 1.00 0.00 H new ATOM 0 HB2 ASN A 62 8.031 -8.595 4.459 1.00 0.00 H new ATOM 0 HB3 ASN A 62 9.526 -9.455 4.147 1.00 0.00 H new ATOM 0 HD21 ASN A 62 7.955 -11.543 6.687 1.00 0.00 H new ATOM 0 HD22 ASN A 62 7.878 -11.187 4.958 1.00 0.00 H new ATOM 921 N GLY A 63 11.621 -7.294 3.646 1.00 0.00 N ATOM 922 CA GLY A 63 12.991 -7.419 3.167 1.00 0.00 C ATOM 923 C GLY A 63 13.121 -8.368 1.984 1.00 0.00 C ATOM 924 O GLY A 63 14.198 -8.914 1.738 1.00 0.00 O ATOM 0 H GLY A 63 10.992 -6.802 3.012 1.00 0.00 H new ATOM 0 HA2 GLY A 63 13.361 -6.435 2.879 1.00 0.00 H new ATOM 0 HA3 GLY A 63 13.624 -7.772 3.981 1.00 0.00 H new ATOM 928 N GLU A 64 12.022 -8.563 1.253 1.00 0.00 N ATOM 929 CA GLU A 64 12.010 -9.449 0.092 1.00 0.00 C ATOM 930 C GLU A 64 11.771 -8.657 -1.191 1.00 0.00 C ATOM 931 O GLU A 64 11.370 -7.490 -1.145 1.00 0.00 O ATOM 932 CB GLU A 64 10.924 -10.515 0.261 1.00 0.00 C ATOM 933 CG GLU A 64 11.322 -11.886 -0.268 1.00 0.00 C ATOM 934 CD GLU A 64 11.814 -12.821 0.824 1.00 0.00 C ATOM 935 OE1 GLU A 64 11.106 -12.973 1.843 1.00 0.00 O ATOM 936 OE2 GLU A 64 12.903 -13.406 0.655 1.00 0.00 O ATOM 0 H GLU A 64 11.126 -8.116 1.447 1.00 0.00 H new ATOM 0 HA GLU A 64 12.983 -9.936 0.018 1.00 0.00 H new ATOM 0 HB2 GLU A 64 10.675 -10.602 1.319 1.00 0.00 H new ATOM 0 HB3 GLU A 64 10.021 -10.185 -0.253 1.00 0.00 H new ATOM 0 HG2 GLU A 64 10.466 -12.339 -0.769 1.00 0.00 H new ATOM 0 HG3 GLU A 64 12.104 -11.768 -1.018 1.00 0.00 H new ATOM 943 N ALA A 65 12.021 -9.295 -2.336 1.00 0.00 N ATOM 944 CA ALA A 65 11.835 -8.653 -3.638 1.00 0.00 C ATOM 945 C ALA A 65 10.393 -8.173 -3.811 1.00 0.00 C ATOM 946 O ALA A 65 9.464 -8.981 -3.869 1.00 0.00 O ATOM 947 CB ALA A 65 12.217 -9.606 -4.763 1.00 0.00 C ATOM 0 H ALA A 65 12.354 -10.258 -2.388 1.00 0.00 H new ATOM 0 HA ALA A 65 12.490 -7.783 -3.682 1.00 0.00 H new ATOM 0 HB1 ALA A 65 12.072 -9.112 -5.724 1.00 0.00 H new ATOM 0 HB2 ALA A 65 13.263 -9.894 -4.657 1.00 0.00 H new ATOM 0 HB3 ALA A 65 11.589 -10.496 -4.715 1.00 0.00 H new ATOM 953 N ALA A 66 10.215 -6.854 -3.889 1.00 0.00 N ATOM 954 CA ALA A 66 8.888 -6.267 -4.053 1.00 0.00 C ATOM 955 C ALA A 66 8.381 -6.445 -5.485 1.00 0.00 C ATOM 956 O ALA A 66 8.916 -5.850 -6.422 1.00 0.00 O ATOM 957 CB ALA A 66 8.908 -4.792 -3.670 1.00 0.00 C ATOM 0 H ALA A 66 10.973 -6.174 -3.841 1.00 0.00 H new ATOM 0 HA ALA A 66 8.201 -6.790 -3.387 1.00 0.00 H new ATOM 0 HB1 ALA A 66 7.911 -4.369 -3.798 1.00 0.00 H new ATOM 0 HB2 ALA A 66 9.214 -4.691 -2.629 1.00 0.00 H new ATOM 0 HB3 ALA A 66 9.613 -4.260 -4.309 1.00 0.00 H new ATOM 963 N ALA A 67 7.350 -7.275 -5.643 1.00 0.00 N ATOM 964 CA ALA A 67 6.768 -7.545 -6.957 1.00 0.00 C ATOM 965 C ALA A 67 5.498 -6.719 -7.182 1.00 0.00 C ATOM 966 O ALA A 67 5.127 -5.895 -6.344 1.00 0.00 O ATOM 967 CB ALA A 67 6.464 -9.031 -7.099 1.00 0.00 C ATOM 0 H ALA A 67 6.900 -7.773 -4.875 1.00 0.00 H new ATOM 0 HA ALA A 67 7.495 -7.255 -7.716 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.031 -9.222 -8.081 1.00 0.00 H new ATOM 0 HB2 ALA A 67 7.386 -9.603 -6.992 1.00 0.00 H new ATOM 0 HB3 ALA A 67 5.757 -9.333 -6.326 1.00 0.00 H new ATOM 973 N LEU A 68 4.834 -6.949 -8.318 1.00 0.00 N ATOM 974 CA LEU A 68 3.601 -6.234 -8.651 1.00 0.00 C ATOM 975 C LEU A 68 2.579 -7.157 -9.326 1.00 0.00 C ATOM 976 O LEU A 68 1.389 -7.105 -9.009 1.00 0.00 O ATOM 977 CB LEU A 68 3.903 -5.009 -9.530 1.00 0.00 C ATOM 978 CG LEU A 68 3.918 -5.245 -11.046 1.00 0.00 C ATOM 979 CD1 LEU A 68 2.513 -5.143 -11.627 1.00 0.00 C ATOM 980 CD2 LEU A 68 4.847 -4.248 -11.723 1.00 0.00 C ATOM 0 H LEU A 68 5.130 -7.625 -9.022 1.00 0.00 H new ATOM 0 HA LEU A 68 3.158 -5.885 -7.718 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.162 -4.240 -9.311 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.874 -4.609 -9.237 1.00 0.00 H new ATOM 0 HG LEU A 68 4.288 -6.253 -11.232 1.00 0.00 H new ATOM 0 HD11 LEU A 68 2.551 -5.314 -12.703 1.00 0.00 H new ATOM 0 HD12 LEU A 68 1.872 -5.892 -11.163 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.110 -4.149 -11.432 1.00 0.00 H new ATOM 0 HD21 LEU A 68 4.849 -4.425 -12.798 1.00 0.00 H new ATOM 0 HD22 LEU A 68 4.500 -3.234 -11.523 1.00 0.00 H new ATOM 0 HD23 LEU A 68 5.858 -4.369 -11.333 1.00 0.00 H new ATOM 992 N GLY A 69 3.042 -8.005 -10.249 1.00 0.00 N ATOM 993 CA GLY A 69 2.146 -8.921 -10.938 1.00 0.00 C ATOM 994 C GLY A 69 2.053 -10.277 -10.260 1.00 0.00 C ATOM 995 O GLY A 69 1.934 -11.303 -10.934 1.00 0.00 O ATOM 0 H GLY A 69 4.020 -8.072 -10.530 1.00 0.00 H new ATOM 0 HA2 GLY A 69 1.152 -8.478 -10.991 1.00 0.00 H new ATOM 0 HA3 GLY A 69 2.490 -9.056 -11.963 1.00 0.00 H new ATOM 999 N GLU A 70 2.102 -10.285 -8.927 1.00 0.00 N ATOM 1000 CA GLU A 70 2.019 -11.523 -8.160 1.00 0.00 C ATOM 1001 C GLU A 70 1.801 -11.231 -6.677 1.00 0.00 C ATOM 1002 O GLU A 70 2.758 -11.075 -5.916 1.00 0.00 O ATOM 1003 CB GLU A 70 3.291 -12.355 -8.350 1.00 0.00 C ATOM 1004 CG GLU A 70 3.024 -13.842 -8.518 1.00 0.00 C ATOM 1005 CD GLU A 70 4.247 -14.603 -8.987 1.00 0.00 C ATOM 1006 OE1 GLU A 70 4.748 -14.301 -10.091 1.00 0.00 O ATOM 1007 OE2 GLU A 70 4.707 -15.500 -8.249 1.00 0.00 O ATOM 0 H GLU A 70 2.199 -9.444 -8.358 1.00 0.00 H new ATOM 0 HA GLU A 70 1.166 -12.092 -8.528 1.00 0.00 H new ATOM 0 HB2 GLU A 70 3.827 -11.989 -9.226 1.00 0.00 H new ATOM 0 HB3 GLU A 70 3.945 -12.206 -7.491 1.00 0.00 H new ATOM 0 HG2 GLU A 70 2.685 -14.256 -7.569 1.00 0.00 H new ATOM 0 HG3 GLU A 70 2.215 -13.984 -9.235 1.00 0.00 H new ATOM 1014 N ALA A 71 0.534 -11.170 -6.269 1.00 0.00 N ATOM 1015 CA ALA A 71 0.193 -10.910 -4.872 1.00 0.00 C ATOM 1016 C ALA A 71 0.226 -12.192 -4.032 1.00 0.00 C ATOM 1017 O ALA A 71 -0.016 -12.151 -2.824 1.00 0.00 O ATOM 1018 CB ALA A 71 -1.180 -10.260 -4.773 1.00 0.00 C ATOM 0 H ALA A 71 -0.270 -11.297 -6.884 1.00 0.00 H new ATOM 0 HA ALA A 71 0.944 -10.228 -4.474 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -1.419 -10.073 -3.726 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -1.176 -9.316 -5.319 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -1.929 -10.925 -5.203 1.00 0.00 H new ATOM 1024 N THR A 72 0.529 -13.327 -4.670 1.00 0.00 N ATOM 1025 CA THR A 72 0.592 -14.609 -3.975 1.00 0.00 C ATOM 1026 C THR A 72 1.964 -14.819 -3.330 1.00 0.00 C ATOM 1027 O THR A 72 2.083 -15.537 -2.336 1.00 0.00 O ATOM 1028 CB THR A 72 0.275 -15.754 -4.948 1.00 0.00 C ATOM 1029 OG1 THR A 72 0.199 -16.995 -4.266 1.00 0.00 O ATOM 1030 CG2 THR A 72 1.287 -15.901 -6.068 1.00 0.00 C ATOM 0 H THR A 72 0.734 -13.380 -5.668 1.00 0.00 H new ATOM 0 HA THR A 72 -0.154 -14.604 -3.181 1.00 0.00 H new ATOM 0 HB THR A 72 -0.686 -15.489 -5.389 1.00 0.00 H new ATOM 0 HG1 THR A 72 -0.005 -17.708 -4.906 1.00 0.00 H new ATOM 0 HG21 THR A 72 0.997 -16.729 -6.714 1.00 0.00 H new ATOM 0 HG22 THR A 72 1.321 -14.981 -6.651 1.00 0.00 H new ATOM 0 HG23 THR A 72 2.272 -16.099 -5.645 1.00 0.00 H new ATOM 1038 N ALA A 73 2.995 -14.187 -3.895 1.00 0.00 N ATOM 1039 CA ALA A 73 4.347 -14.308 -3.368 1.00 0.00 C ATOM 1040 C ALA A 73 4.905 -12.943 -2.983 1.00 0.00 C ATOM 1041 O ALA A 73 4.703 -11.956 -3.694 1.00 0.00 O ATOM 1042 CB ALA A 73 5.256 -14.995 -4.377 1.00 0.00 C ATOM 0 H ALA A 73 2.915 -13.588 -4.717 1.00 0.00 H new ATOM 0 HA ALA A 73 4.306 -14.922 -2.468 1.00 0.00 H new ATOM 0 HB1 ALA A 73 6.262 -15.076 -3.965 1.00 0.00 H new ATOM 0 HB2 ALA A 73 4.871 -15.992 -4.594 1.00 0.00 H new ATOM 0 HB3 ALA A 73 5.287 -14.410 -5.296 1.00 0.00 H new ATOM 1048 N ALA A 74 5.610 -12.902 -1.848 1.00 0.00 N ATOM 1049 CA ALA A 74 6.216 -11.674 -1.331 1.00 0.00 C ATOM 1050 C ALA A 74 5.158 -10.645 -0.918 1.00 0.00 C ATOM 1051 O ALA A 74 4.921 -10.442 0.273 1.00 0.00 O ATOM 1052 CB ALA A 74 7.184 -11.079 -2.346 1.00 0.00 C ATOM 0 H ALA A 74 5.776 -13.721 -1.263 1.00 0.00 H new ATOM 0 HA ALA A 74 6.776 -11.940 -0.435 1.00 0.00 H new ATOM 0 HB1 ALA A 74 7.622 -10.167 -1.940 1.00 0.00 H new ATOM 0 HB2 ALA A 74 7.975 -11.798 -2.559 1.00 0.00 H new ATOM 0 HB3 ALA A 74 6.648 -10.846 -3.266 1.00 0.00 H new ATOM 1058 N GLY A 75 4.528 -10.000 -1.903 1.00 0.00 N ATOM 1059 CA GLY A 75 3.510 -9.006 -1.613 1.00 0.00 C ATOM 1060 C GLY A 75 3.927 -7.608 -2.032 1.00 0.00 C ATOM 1061 O GLY A 75 4.707 -7.441 -2.970 1.00 0.00 O ATOM 0 H GLY A 75 4.707 -10.151 -2.896 1.00 0.00 H new ATOM 0 HA2 GLY A 75 2.587 -9.276 -2.126 1.00 0.00 H new ATOM 0 HA3 GLY A 75 3.294 -9.012 -0.545 1.00 0.00 H new ATOM 1065 N ASP A 76 3.408 -6.603 -1.330 1.00 0.00 N ATOM 1066 CA ASP A 76 3.733 -5.207 -1.627 1.00 0.00 C ATOM 1067 C ASP A 76 4.565 -4.593 -0.500 1.00 0.00 C ATOM 1068 O ASP A 76 5.623 -4.011 -0.751 1.00 0.00 O ATOM 1069 CB ASP A 76 2.456 -4.381 -1.882 1.00 0.00 C ATOM 1070 CG ASP A 76 1.424 -4.460 -0.763 1.00 0.00 C ATOM 1071 OD1 ASP A 76 1.490 -5.395 0.061 1.00 0.00 O ATOM 1072 OD2 ASP A 76 0.539 -3.584 -0.715 1.00 0.00 O ATOM 0 H ASP A 76 2.761 -6.728 -0.552 1.00 0.00 H new ATOM 0 HA ASP A 76 4.329 -5.187 -2.539 1.00 0.00 H new ATOM 0 HB2 ASP A 76 2.736 -3.338 -2.030 1.00 0.00 H new ATOM 0 HB3 ASP A 76 1.996 -4.722 -2.809 1.00 0.00 H new ATOM 1077 N GLU A 77 4.090 -4.738 0.738 1.00 0.00 N ATOM 1078 CA GLU A 77 4.791 -4.216 1.913 1.00 0.00 C ATOM 1079 C GLU A 77 4.056 -4.605 3.201 1.00 0.00 C ATOM 1080 O GLU A 77 3.110 -5.396 3.172 1.00 0.00 O ATOM 1081 CB GLU A 77 4.940 -2.686 1.819 1.00 0.00 C ATOM 1082 CG GLU A 77 3.637 -1.945 1.536 1.00 0.00 C ATOM 1083 CD GLU A 77 3.635 -1.245 0.187 1.00 0.00 C ATOM 1084 OE1 GLU A 77 4.535 -0.416 -0.056 1.00 0.00 O ATOM 1085 OE2 GLU A 77 2.731 -1.523 -0.623 1.00 0.00 O ATOM 0 H GLU A 77 3.216 -5.217 0.954 1.00 0.00 H new ATOM 0 HA GLU A 77 5.787 -4.659 1.940 1.00 0.00 H new ATOM 0 HB2 GLU A 77 5.359 -2.315 2.754 1.00 0.00 H new ATOM 0 HB3 GLU A 77 5.657 -2.450 1.033 1.00 0.00 H new ATOM 0 HG2 GLU A 77 2.808 -2.651 1.574 1.00 0.00 H new ATOM 0 HG3 GLU A 77 3.465 -1.209 2.322 1.00 0.00 H new ATOM 1092 N LEU A 78 4.495 -4.040 4.327 1.00 0.00 N ATOM 1093 CA LEU A 78 3.879 -4.310 5.626 1.00 0.00 C ATOM 1094 C LEU A 78 3.080 -3.090 6.097 1.00 0.00 C ATOM 1095 O LEU A 78 2.014 -3.230 6.700 1.00 0.00 O ATOM 1096 CB LEU A 78 4.950 -4.667 6.663 1.00 0.00 C ATOM 1097 CG LEU A 78 5.530 -6.081 6.549 1.00 0.00 C ATOM 1098 CD1 LEU A 78 6.702 -6.257 7.505 1.00 0.00 C ATOM 1099 CD2 LEU A 78 4.457 -7.125 6.822 1.00 0.00 C ATOM 0 H LEU A 78 5.279 -3.389 4.364 1.00 0.00 H new ATOM 0 HA LEU A 78 3.201 -5.157 5.518 1.00 0.00 H new ATOM 0 HB2 LEU A 78 5.766 -3.950 6.579 1.00 0.00 H new ATOM 0 HB3 LEU A 78 4.522 -4.547 7.658 1.00 0.00 H new ATOM 0 HG LEU A 78 5.893 -6.221 5.531 1.00 0.00 H new ATOM 0 HD11 LEU A 78 7.101 -7.267 7.410 1.00 0.00 H new ATOM 0 HD12 LEU A 78 7.481 -5.535 7.262 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.364 -6.095 8.529 1.00 0.00 H new ATOM 0 HD21 LEU A 78 4.889 -8.122 6.736 1.00 0.00 H new ATOM 0 HD22 LEU A 78 4.062 -6.986 7.828 1.00 0.00 H new ATOM 0 HD23 LEU A 78 3.650 -7.016 6.097 1.00 0.00 H new ATOM 1111 N ALA A 79 3.606 -1.896 5.807 1.00 0.00 N ATOM 1112 CA ALA A 79 2.958 -0.640 6.184 1.00 0.00 C ATOM 1113 C ALA A 79 3.575 0.535 5.422 1.00 0.00 C ATOM 1114 O ALA A 79 4.595 0.379 4.750 1.00 0.00 O ATOM 1115 CB ALA A 79 3.066 -0.413 7.687 1.00 0.00 C ATOM 0 H ALA A 79 4.487 -1.775 5.308 1.00 0.00 H new ATOM 0 HA ALA A 79 1.903 -0.707 5.919 1.00 0.00 H new ATOM 0 HB1 ALA A 79 2.578 0.526 7.949 1.00 0.00 H new ATOM 0 HB2 ALA A 79 2.580 -1.234 8.215 1.00 0.00 H new ATOM 0 HB3 ALA A 79 4.117 -0.369 7.974 1.00 0.00 H new ATOM 1121 N LEU A 80 2.955 1.711 5.531 1.00 0.00 N ATOM 1122 CA LEU A 80 3.450 2.909 4.853 1.00 0.00 C ATOM 1123 C LEU A 80 3.190 4.150 5.701 1.00 0.00 C ATOM 1124 O LEU A 80 2.074 4.676 5.729 1.00 0.00 O ATOM 1125 CB LEU A 80 2.792 3.056 3.474 1.00 0.00 C ATOM 1126 CG LEU A 80 3.678 3.680 2.391 1.00 0.00 C ATOM 1127 CD1 LEU A 80 3.954 2.681 1.275 1.00 0.00 C ATOM 1128 CD2 LEU A 80 3.027 4.939 1.833 1.00 0.00 C ATOM 0 H LEU A 80 2.110 1.859 6.082 1.00 0.00 H new ATOM 0 HA LEU A 80 4.526 2.805 4.714 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.471 2.071 3.135 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.894 3.664 3.581 1.00 0.00 H new ATOM 0 HG LEU A 80 4.631 3.954 2.844 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.585 3.147 0.518 1.00 0.00 H new ATOM 0 HD12 LEU A 80 4.463 1.809 1.685 1.00 0.00 H new ATOM 0 HD13 LEU A 80 3.012 2.372 0.822 1.00 0.00 H new ATOM 0 HD21 LEU A 80 3.669 5.371 1.065 1.00 0.00 H new ATOM 0 HD22 LEU A 80 2.060 4.686 1.398 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.886 5.662 2.636 1.00 0.00 H new ATOM 1140 N PHE A 81 4.224 4.610 6.401 1.00 0.00 N ATOM 1141 CA PHE A 81 4.109 5.783 7.262 1.00 0.00 C ATOM 1142 C PHE A 81 4.962 6.936 6.734 1.00 0.00 C ATOM 1143 O PHE A 81 6.122 6.742 6.374 1.00 0.00 O ATOM 1144 CB PHE A 81 4.531 5.435 8.694 1.00 0.00 C ATOM 1145 CG PHE A 81 3.500 4.645 9.457 1.00 0.00 C ATOM 1146 CD1 PHE A 81 3.124 3.375 9.038 1.00 0.00 C ATOM 1147 CD2 PHE A 81 2.907 5.170 10.595 1.00 0.00 C ATOM 1148 CE1 PHE A 81 2.180 2.649 9.739 1.00 0.00 C ATOM 1149 CE2 PHE A 81 1.960 4.448 11.297 1.00 0.00 C ATOM 1150 CZ PHE A 81 1.597 3.187 10.870 1.00 0.00 C ATOM 0 H PHE A 81 5.152 4.187 6.388 1.00 0.00 H new ATOM 0 HA PHE A 81 3.066 6.099 7.263 1.00 0.00 H new ATOM 0 HB2 PHE A 81 5.460 4.866 8.661 1.00 0.00 H new ATOM 0 HB3 PHE A 81 4.742 6.357 9.235 1.00 0.00 H new ATOM 0 HD1 PHE A 81 3.575 2.950 8.154 1.00 0.00 H new ATOM 0 HD2 PHE A 81 3.188 6.155 10.937 1.00 0.00 H new ATOM 0 HE1 PHE A 81 1.898 1.662 9.403 1.00 0.00 H new ATOM 0 HE2 PHE A 81 1.504 4.871 12.180 1.00 0.00 H new ATOM 0 HZ PHE A 81 0.858 2.622 11.419 1.00 0.00 H new ATOM 1160 N PRO A 82 4.392 8.158 6.686 1.00 0.00 N ATOM 1161 CA PRO A 82 5.106 9.353 6.205 1.00 0.00 C ATOM 1162 C PRO A 82 6.391 9.623 6.995 1.00 0.00 C ATOM 1163 O PRO A 82 6.640 8.983 8.020 1.00 0.00 O ATOM 1164 CB PRO A 82 4.097 10.488 6.425 1.00 0.00 C ATOM 1165 CG PRO A 82 2.768 9.817 6.483 1.00 0.00 C ATOM 1166 CD PRO A 82 3.012 8.473 7.099 1.00 0.00 C ATOM 0 HA PRO A 82 5.425 9.243 5.169 1.00 0.00 H new ATOM 0 HB2 PRO A 82 4.307 11.029 7.348 1.00 0.00 H new ATOM 0 HB3 PRO A 82 4.137 11.215 5.613 1.00 0.00 H new ATOM 0 HG2 PRO A 82 2.063 10.397 7.079 1.00 0.00 H new ATOM 0 HG3 PRO A 82 2.337 9.717 5.487 1.00 0.00 H new ATOM 0 HD2 PRO A 82 2.914 8.504 8.184 1.00 0.00 H new ATOM 0 HD3 PRO A 82 2.303 7.729 6.736 1.00 0.00 H new ATOM 1174 N PRO A 83 7.227 10.573 6.528 1.00 0.00 N ATOM 1175 CA PRO A 83 8.490 10.922 7.198 1.00 0.00 C ATOM 1176 C PRO A 83 8.263 11.606 8.550 1.00 0.00 C ATOM 1177 O PRO A 83 8.442 12.819 8.687 1.00 0.00 O ATOM 1178 CB PRO A 83 9.168 11.878 6.208 1.00 0.00 C ATOM 1179 CG PRO A 83 8.052 12.455 5.410 1.00 0.00 C ATOM 1180 CD PRO A 83 7.008 11.378 5.311 1.00 0.00 C ATOM 0 HA PRO A 83 9.088 10.040 7.429 1.00 0.00 H new ATOM 0 HB2 PRO A 83 9.725 12.657 6.729 1.00 0.00 H new ATOM 0 HB3 PRO A 83 9.878 11.350 5.571 1.00 0.00 H new ATOM 0 HG2 PRO A 83 7.648 13.345 5.892 1.00 0.00 H new ATOM 0 HG3 PRO A 83 8.396 12.756 4.420 1.00 0.00 H new ATOM 0 HD2 PRO A 83 6.002 11.796 5.282 1.00 0.00 H new ATOM 0 HD3 PRO A 83 7.131 10.781 4.407 1.00 0.00 H new