USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 553 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 2 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0.12) USER MOD Single : A 28 SER OG : rot -25:sc= -0.43 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.105 K(o=-0.1,f=-2!) USER MOD Single : A 45 GLN : amide:sc= -0.123 K(o=-0.12,f=-2!) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot -43:sc= 0.639 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 12:sc= -0.895 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N SER A 2 -5.304 -15.246 22.284 1.00 0.00 N ATOM 19 CA SER A 2 -6.396 -16.184 22.087 1.00 0.00 C ATOM 20 C SER A 2 -6.407 -16.678 20.639 1.00 0.00 C ATOM 21 O SER A 2 -5.577 -16.263 19.832 1.00 0.00 O ATOM 22 CB SER A 2 -7.741 -15.545 22.441 1.00 0.00 C ATOM 23 OG SER A 2 -8.344 -16.164 23.573 1.00 0.00 O ATOM 0 HA SER A 2 -6.242 -17.034 22.752 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.596 -14.484 22.642 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.414 -15.619 21.586 1.00 0.00 H new ATOM 0 HG SER A 2 -9.199 -15.727 23.768 1.00 0.00 H new ATOM 29 N LEU A 3 -7.356 -17.557 20.355 1.00 0.00 N ATOM 30 CA LEU A 3 -7.486 -18.112 19.018 1.00 0.00 C ATOM 31 C LEU A 3 -8.319 -17.162 18.155 1.00 0.00 C ATOM 32 O LEU A 3 -7.947 -16.860 17.022 1.00 0.00 O ATOM 33 CB LEU A 3 -8.045 -19.535 19.081 1.00 0.00 C ATOM 34 CG LEU A 3 -7.210 -20.549 19.864 1.00 0.00 C ATOM 35 CD1 LEU A 3 -8.063 -21.741 20.301 1.00 0.00 C ATOM 36 CD2 LEU A 3 -5.983 -20.987 19.061 1.00 0.00 C ATOM 0 H LEU A 3 -8.042 -17.899 21.027 1.00 0.00 H new ATOM 0 HA LEU A 3 -6.508 -18.199 18.545 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -9.040 -19.494 19.524 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -8.165 -19.903 18.062 1.00 0.00 H new ATOM 0 HG LEU A 3 -6.846 -20.064 20.770 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -7.445 -22.447 20.856 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -8.876 -21.393 20.938 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -8.477 -22.234 19.421 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -5.407 -21.708 19.641 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -6.305 -21.447 18.127 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -5.362 -20.118 18.842 1.00 0.00 H new ATOM 48 N GLY A 4 -9.430 -16.717 18.724 1.00 0.00 N ATOM 49 CA GLY A 4 -10.318 -15.807 18.020 1.00 0.00 C ATOM 50 C GLY A 4 -9.611 -14.488 17.700 1.00 0.00 C ATOM 51 O GLY A 4 -9.627 -14.033 16.558 1.00 0.00 O ATOM 0 H GLY A 4 -9.735 -16.969 19.664 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.663 -16.272 17.097 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.201 -15.612 18.628 1.00 0.00 H new ATOM 55 N VAL A 5 -9.007 -13.913 18.730 1.00 0.00 N ATOM 56 CA VAL A 5 -8.296 -12.656 18.572 1.00 0.00 C ATOM 57 C VAL A 5 -7.200 -12.823 17.517 1.00 0.00 C ATOM 58 O VAL A 5 -6.901 -11.889 16.775 1.00 0.00 O ATOM 59 CB VAL A 5 -7.756 -12.187 19.925 1.00 0.00 C ATOM 60 CG1 VAL A 5 -6.554 -13.029 20.357 1.00 0.00 C ATOM 61 CG2 VAL A 5 -7.398 -10.700 19.888 1.00 0.00 C ATOM 0 H VAL A 5 -8.995 -14.294 19.676 1.00 0.00 H new ATOM 0 HA VAL A 5 -8.972 -11.877 18.218 1.00 0.00 H new ATOM 0 HB VAL A 5 -8.545 -12.323 20.665 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -6.190 -12.675 21.321 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -6.854 -14.073 20.443 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -5.761 -12.939 19.614 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -7.017 -10.393 20.862 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -6.635 -10.528 19.129 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -8.287 -10.118 19.646 1.00 0.00 H new ATOM 71 N LEU A 6 -6.633 -14.019 17.484 1.00 0.00 N ATOM 72 CA LEU A 6 -5.577 -14.321 16.532 1.00 0.00 C ATOM 73 C LEU A 6 -6.095 -14.086 15.111 1.00 0.00 C ATOM 74 O LEU A 6 -5.471 -13.370 14.330 1.00 0.00 O ATOM 75 CB LEU A 6 -5.035 -15.733 16.762 1.00 0.00 C ATOM 76 CG LEU A 6 -3.809 -16.124 15.935 1.00 0.00 C ATOM 77 CD1 LEU A 6 -3.411 -17.578 16.197 1.00 0.00 C ATOM 78 CD2 LEU A 6 -4.043 -15.853 14.447 1.00 0.00 C ATOM 0 H LEU A 6 -6.884 -14.791 18.101 1.00 0.00 H new ATOM 0 HA LEU A 6 -4.730 -13.651 16.679 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.785 -15.837 17.818 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -5.833 -16.446 16.552 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.972 -15.500 16.249 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.537 -17.830 15.597 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -3.175 -17.706 17.253 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -4.238 -18.236 15.928 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -3.157 -16.140 13.881 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -4.898 -16.434 14.101 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -4.242 -14.792 14.297 1.00 0.00 H new ATOM 90 N ALA A 7 -7.232 -14.701 14.821 1.00 0.00 N ATOM 91 CA ALA A 7 -7.841 -14.568 13.508 1.00 0.00 C ATOM 92 C ALA A 7 -8.072 -13.086 13.207 1.00 0.00 C ATOM 93 O ALA A 7 -8.021 -12.668 12.051 1.00 0.00 O ATOM 94 CB ALA A 7 -9.136 -15.382 13.461 1.00 0.00 C ATOM 0 H ALA A 7 -7.748 -15.293 15.472 1.00 0.00 H new ATOM 0 HA ALA A 7 -7.180 -14.962 12.736 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -9.593 -15.282 12.476 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -8.913 -16.432 13.653 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -9.826 -15.013 14.220 1.00 0.00 H new ATOM 100 N ALA A 8 -8.323 -12.331 14.267 1.00 0.00 N ATOM 101 CA ALA A 8 -8.562 -10.904 14.130 1.00 0.00 C ATOM 102 C ALA A 8 -7.273 -10.216 13.676 1.00 0.00 C ATOM 103 O ALA A 8 -7.317 -9.214 12.965 1.00 0.00 O ATOM 104 CB ALA A 8 -9.087 -10.345 15.454 1.00 0.00 C ATOM 0 H ALA A 8 -8.366 -12.681 15.224 1.00 0.00 H new ATOM 0 HA ALA A 8 -9.321 -10.713 13.372 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -9.266 -9.275 15.352 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -10.019 -10.846 15.716 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -8.350 -10.516 16.239 1.00 0.00 H new ATOM 110 N ALA A 9 -6.155 -10.782 14.107 1.00 0.00 N ATOM 111 CA ALA A 9 -4.855 -10.236 13.754 1.00 0.00 C ATOM 112 C ALA A 9 -4.575 -10.512 12.276 1.00 0.00 C ATOM 113 O ALA A 9 -3.877 -9.743 11.618 1.00 0.00 O ATOM 114 CB ALA A 9 -3.785 -10.831 14.672 1.00 0.00 C ATOM 0 H ALA A 9 -6.122 -11.613 14.697 1.00 0.00 H new ATOM 0 HA ALA A 9 -4.841 -9.155 13.895 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -2.810 -10.422 14.407 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -4.014 -10.581 15.708 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -3.767 -11.915 14.556 1.00 0.00 H new ATOM 120 N ILE A 10 -5.135 -11.613 11.796 1.00 0.00 N ATOM 121 CA ILE A 10 -4.954 -12.001 10.407 1.00 0.00 C ATOM 122 C ILE A 10 -5.877 -11.161 9.523 1.00 0.00 C ATOM 123 O ILE A 10 -5.423 -10.519 8.577 1.00 0.00 O ATOM 124 CB ILE A 10 -5.149 -13.510 10.242 1.00 0.00 C ATOM 125 CG1 ILE A 10 -3.824 -14.256 10.415 1.00 0.00 C ATOM 126 CG2 ILE A 10 -5.819 -13.832 8.906 1.00 0.00 C ATOM 127 CD1 ILE A 10 -3.838 -15.111 11.683 1.00 0.00 C ATOM 0 H ILE A 10 -5.714 -12.249 12.344 1.00 0.00 H new ATOM 0 HA ILE A 10 -3.933 -11.798 10.085 1.00 0.00 H new ATOM 0 HB ILE A 10 -5.818 -13.857 11.029 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -3.643 -14.890 9.547 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -3.003 -13.540 10.464 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -5.946 -14.911 8.813 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -6.794 -13.347 8.862 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -5.195 -13.469 8.089 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -2.885 -15.630 11.782 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -3.995 -14.471 12.551 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -4.645 -15.842 11.620 1.00 0.00 H new ATOM 139 N ALA A 11 -7.158 -11.192 9.863 1.00 0.00 N ATOM 140 CA ALA A 11 -8.150 -10.441 9.112 1.00 0.00 C ATOM 141 C ALA A 11 -7.738 -8.968 9.063 1.00 0.00 C ATOM 142 O ALA A 11 -8.154 -8.234 8.168 1.00 0.00 O ATOM 143 CB ALA A 11 -9.528 -10.640 9.745 1.00 0.00 C ATOM 0 H ALA A 11 -7.531 -11.725 10.648 1.00 0.00 H new ATOM 0 HA ALA A 11 -8.208 -10.802 8.085 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -10.272 -10.077 9.182 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -9.786 -11.699 9.729 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -9.509 -10.286 10.776 1.00 0.00 H new ATOM 149 N VAL A 12 -6.926 -8.581 10.035 1.00 0.00 N ATOM 150 CA VAL A 12 -6.454 -7.209 10.114 1.00 0.00 C ATOM 151 C VAL A 12 -5.361 -6.989 9.066 1.00 0.00 C ATOM 152 O VAL A 12 -5.375 -5.989 8.349 1.00 0.00 O ATOM 153 CB VAL A 12 -5.989 -6.896 11.538 1.00 0.00 C ATOM 154 CG1 VAL A 12 -4.764 -5.980 11.525 1.00 0.00 C ATOM 155 CG2 VAL A 12 -7.122 -6.285 12.363 1.00 0.00 C ATOM 0 H VAL A 12 -6.583 -9.193 10.775 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.263 -6.514 9.891 1.00 0.00 H new ATOM 0 HB VAL A 12 -5.700 -7.835 12.010 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -4.454 -5.773 12.549 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -3.949 -6.469 10.991 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -5.015 -5.044 11.026 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -6.765 -6.072 13.371 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -7.456 -5.360 11.893 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -7.954 -6.987 12.414 1.00 0.00 H new ATOM 165 N GLY A 13 -4.440 -7.940 9.010 1.00 0.00 N ATOM 166 CA GLY A 13 -3.342 -7.863 8.061 1.00 0.00 C ATOM 167 C GLY A 13 -3.853 -7.953 6.622 1.00 0.00 C ATOM 168 O GLY A 13 -3.310 -7.310 5.725 1.00 0.00 O ATOM 0 H GLY A 13 -4.431 -8.768 9.606 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -2.801 -6.927 8.201 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -2.635 -8.671 8.251 1.00 0.00 H new ATOM 172 N LEU A 14 -4.892 -8.757 6.446 1.00 0.00 N ATOM 173 CA LEU A 14 -5.482 -8.940 5.131 1.00 0.00 C ATOM 174 C LEU A 14 -6.270 -7.684 4.752 1.00 0.00 C ATOM 175 O LEU A 14 -6.274 -7.277 3.591 1.00 0.00 O ATOM 176 CB LEU A 14 -6.314 -10.223 5.091 1.00 0.00 C ATOM 177 CG LEU A 14 -5.605 -11.496 5.558 1.00 0.00 C ATOM 178 CD1 LEU A 14 -6.583 -12.444 6.256 1.00 0.00 C ATOM 179 CD2 LEU A 14 -4.879 -12.177 4.396 1.00 0.00 C ATOM 0 H LEU A 14 -5.340 -9.289 7.192 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.704 -9.069 4.378 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -7.201 -10.077 5.708 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -6.659 -10.377 4.069 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.849 -11.216 6.291 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -6.053 -13.341 6.578 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -7.015 -11.946 7.124 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -7.378 -12.721 5.564 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.384 -13.079 4.755 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.599 -12.442 3.622 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.136 -11.495 3.982 1.00 0.00 H new ATOM 191 N GLY A 15 -6.919 -7.106 5.752 1.00 0.00 N ATOM 192 CA GLY A 15 -7.708 -5.905 5.538 1.00 0.00 C ATOM 193 C GLY A 15 -6.812 -4.712 5.202 1.00 0.00 C ATOM 194 O GLY A 15 -7.019 -4.040 4.193 1.00 0.00 O ATOM 0 H GLY A 15 -6.914 -7.447 6.713 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -8.417 -6.071 4.727 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -8.292 -5.685 6.432 1.00 0.00 H new ATOM 198 N ALA A 16 -5.834 -4.485 6.067 1.00 0.00 N ATOM 199 CA ALA A 16 -4.905 -3.385 5.874 1.00 0.00 C ATOM 200 C ALA A 16 -4.066 -3.644 4.621 1.00 0.00 C ATOM 201 O ALA A 16 -3.460 -2.724 4.074 1.00 0.00 O ATOM 202 CB ALA A 16 -4.044 -3.218 7.128 1.00 0.00 C ATOM 0 H ALA A 16 -5.665 -5.044 6.903 1.00 0.00 H new ATOM 0 HA ALA A 16 -5.444 -2.450 5.721 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -3.347 -2.393 6.983 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -4.685 -3.006 7.984 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.486 -4.136 7.311 1.00 0.00 H new ATOM 208 N LEU A 17 -4.059 -4.901 4.203 1.00 0.00 N ATOM 209 CA LEU A 17 -3.304 -5.293 3.024 1.00 0.00 C ATOM 210 C LEU A 17 -3.983 -4.723 1.777 1.00 0.00 C ATOM 211 O LEU A 17 -3.370 -3.971 1.021 1.00 0.00 O ATOM 212 CB LEU A 17 -3.122 -6.812 2.985 1.00 0.00 C ATOM 213 CG LEU A 17 -2.793 -7.413 1.617 1.00 0.00 C ATOM 214 CD1 LEU A 17 -1.509 -8.243 1.678 1.00 0.00 C ATOM 215 CD2 LEU A 17 -3.973 -8.222 1.076 1.00 0.00 C ATOM 0 H LEU A 17 -4.564 -5.661 4.659 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.298 -4.875 3.059 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.325 -7.081 3.679 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -4.036 -7.277 3.354 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.616 -6.596 0.918 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.298 -8.659 0.693 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.680 -7.608 1.989 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.634 -9.054 2.395 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.713 -8.638 0.103 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.206 -9.032 1.767 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.842 -7.573 0.972 1.00 0.00 H new ATOM 227 N GLY A 18 -5.240 -5.104 1.600 1.00 0.00 N ATOM 228 CA GLY A 18 -6.009 -4.640 0.458 1.00 0.00 C ATOM 229 C GLY A 18 -6.363 -3.158 0.600 1.00 0.00 C ATOM 230 O GLY A 18 -6.589 -2.472 -0.395 1.00 0.00 O ATOM 0 H GLY A 18 -5.745 -5.729 2.229 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -5.437 -4.795 -0.457 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -6.922 -5.228 0.367 1.00 0.00 H new ATOM 234 N ALA A 19 -6.400 -2.709 1.846 1.00 0.00 N ATOM 235 CA ALA A 19 -6.723 -1.321 2.132 1.00 0.00 C ATOM 236 C ALA A 19 -5.500 -0.448 1.845 1.00 0.00 C ATOM 237 O ALA A 19 -5.638 0.711 1.455 1.00 0.00 O ATOM 238 CB ALA A 19 -7.202 -1.196 3.580 1.00 0.00 C ATOM 0 H ALA A 19 -6.212 -3.281 2.669 1.00 0.00 H new ATOM 0 HA ALA A 19 -7.533 -0.975 1.490 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -7.444 -0.155 3.795 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -8.089 -1.812 3.724 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.414 -1.531 4.254 1.00 0.00 H new ATOM 244 N GLY A 20 -4.331 -1.037 2.048 1.00 0.00 N ATOM 245 CA GLY A 20 -3.085 -0.327 1.816 1.00 0.00 C ATOM 246 C GLY A 20 -2.869 -0.072 0.323 1.00 0.00 C ATOM 247 O GLY A 20 -2.428 1.007 -0.068 1.00 0.00 O ATOM 0 H GLY A 20 -4.220 -1.998 2.371 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -3.098 0.622 2.353 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -2.252 -0.907 2.214 1.00 0.00 H new ATOM 251 N ILE A 21 -3.189 -1.084 -0.470 1.00 0.00 N ATOM 252 CA ILE A 21 -3.036 -0.983 -1.911 1.00 0.00 C ATOM 253 C ILE A 21 -4.095 -0.029 -2.467 1.00 0.00 C ATOM 254 O ILE A 21 -3.840 0.696 -3.427 1.00 0.00 O ATOM 255 CB ILE A 21 -3.063 -2.372 -2.551 1.00 0.00 C ATOM 256 CG1 ILE A 21 -2.145 -2.430 -3.774 1.00 0.00 C ATOM 257 CG2 ILE A 21 -4.495 -2.792 -2.889 1.00 0.00 C ATOM 258 CD1 ILE A 21 -0.703 -2.734 -3.363 1.00 0.00 C ATOM 0 H ILE A 21 -3.554 -1.978 -0.142 1.00 0.00 H new ATOM 0 HA ILE A 21 -2.063 -0.560 -2.162 1.00 0.00 H new ATOM 0 HB ILE A 21 -2.679 -3.090 -1.826 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -2.500 -3.196 -4.463 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -2.182 -1.480 -4.307 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -4.486 -3.783 -3.343 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -5.092 -2.816 -1.977 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -4.929 -2.077 -3.588 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.071 -2.770 -4.251 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -0.343 -1.953 -2.693 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.665 -3.696 -2.852 1.00 0.00 H new ATOM 270 N GLY A 22 -5.261 -0.059 -1.838 1.00 0.00 N ATOM 271 CA GLY A 22 -6.359 0.794 -2.258 1.00 0.00 C ATOM 272 C GLY A 22 -6.112 2.248 -1.850 1.00 0.00 C ATOM 273 O GLY A 22 -6.435 3.170 -2.596 1.00 0.00 O ATOM 0 H GLY A 22 -5.469 -0.661 -1.041 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -6.479 0.732 -3.340 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -7.289 0.441 -1.813 1.00 0.00 H new ATOM 277 N ASN A 23 -5.539 2.407 -0.665 1.00 0.00 N ATOM 278 CA ASN A 23 -5.244 3.733 -0.149 1.00 0.00 C ATOM 279 C ASN A 23 -4.030 4.304 -0.885 1.00 0.00 C ATOM 280 O ASN A 23 -3.910 5.518 -1.042 1.00 0.00 O ATOM 281 CB ASN A 23 -4.911 3.681 1.344 1.00 0.00 C ATOM 282 CG ASN A 23 -6.119 4.088 2.190 1.00 0.00 C ATOM 283 OD1 ASN A 23 -6.801 3.266 2.781 1.00 0.00 O ATOM 284 ND2 ASN A 23 -6.345 5.398 2.215 1.00 0.00 N ATOM 0 H ASN A 23 -5.272 1.640 -0.048 1.00 0.00 H new ATOM 0 HA ASN A 23 -6.124 4.358 -0.301 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -4.596 2.673 1.615 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -4.073 4.345 1.557 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -7.128 5.770 2.752 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -5.735 6.031 1.697 1.00 0.00 H new ATOM 291 N GLY A 24 -3.162 3.401 -1.316 1.00 0.00 N ATOM 292 CA GLY A 24 -1.962 3.800 -2.032 1.00 0.00 C ATOM 293 C GLY A 24 -2.283 4.157 -3.485 1.00 0.00 C ATOM 294 O GLY A 24 -1.578 4.953 -4.102 1.00 0.00 O ATOM 0 H GLY A 24 -3.265 2.395 -1.183 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -1.506 4.657 -1.536 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -1.232 2.991 -2.005 1.00 0.00 H new ATOM 298 N LEU A 25 -3.348 3.551 -3.988 1.00 0.00 N ATOM 299 CA LEU A 25 -3.771 3.796 -5.356 1.00 0.00 C ATOM 300 C LEU A 25 -4.471 5.154 -5.434 1.00 0.00 C ATOM 301 O LEU A 25 -4.352 5.861 -6.433 1.00 0.00 O ATOM 302 CB LEU A 25 -4.625 2.634 -5.869 1.00 0.00 C ATOM 303 CG LEU A 25 -3.861 1.380 -6.301 1.00 0.00 C ATOM 304 CD1 LEU A 25 -4.588 0.112 -5.849 1.00 0.00 C ATOM 305 CD2 LEU A 25 -3.604 1.387 -7.809 1.00 0.00 C ATOM 0 H LEU A 25 -3.931 2.891 -3.473 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.907 3.844 -6.019 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.330 2.354 -5.086 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.213 2.987 -6.716 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.888 1.386 -5.809 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.024 -0.764 -6.169 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.676 0.111 -4.763 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -5.583 0.085 -6.293 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.060 0.485 -8.090 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.555 1.417 -8.340 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.013 2.264 -8.073 1.00 0.00 H new ATOM 317 N ILE A 26 -5.187 5.477 -4.367 1.00 0.00 N ATOM 318 CA ILE A 26 -5.906 6.738 -4.301 1.00 0.00 C ATOM 319 C ILE A 26 -4.902 7.892 -4.284 1.00 0.00 C ATOM 320 O ILE A 26 -5.067 8.874 -5.008 1.00 0.00 O ATOM 321 CB ILE A 26 -6.870 6.744 -3.114 1.00 0.00 C ATOM 322 CG1 ILE A 26 -8.199 6.082 -3.483 1.00 0.00 C ATOM 323 CG2 ILE A 26 -7.067 8.162 -2.574 1.00 0.00 C ATOM 324 CD1 ILE A 26 -9.012 6.972 -4.425 1.00 0.00 C ATOM 0 H ILE A 26 -5.285 4.887 -3.541 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.528 6.869 -5.187 1.00 0.00 H new ATOM 0 HB ILE A 26 -6.427 6.153 -2.312 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -8.010 5.120 -3.959 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -8.774 5.883 -2.578 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -7.757 8.138 -1.731 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -6.108 8.563 -2.247 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -7.477 8.797 -3.360 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -9.952 6.478 -4.672 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -9.220 7.924 -3.937 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -8.444 7.149 -5.339 1.00 0.00 H new ATOM 336 N VAL A 27 -3.884 7.737 -3.451 1.00 0.00 N ATOM 337 CA VAL A 27 -2.854 8.754 -3.330 1.00 0.00 C ATOM 338 C VAL A 27 -2.038 8.804 -4.623 1.00 0.00 C ATOM 339 O VAL A 27 -1.691 9.882 -5.102 1.00 0.00 O ATOM 340 CB VAL A 27 -1.996 8.486 -2.091 1.00 0.00 C ATOM 341 CG1 VAL A 27 -1.242 7.161 -2.223 1.00 0.00 C ATOM 342 CG2 VAL A 27 -1.030 9.644 -1.832 1.00 0.00 C ATOM 0 H VAL A 27 -3.750 6.922 -2.853 1.00 0.00 H new ATOM 0 HA VAL A 27 -3.303 9.737 -3.191 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.662 8.408 -1.232 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.640 6.994 -1.330 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.956 6.346 -2.336 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.592 7.198 -3.097 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.432 9.428 -0.946 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.372 9.768 -2.692 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.596 10.562 -1.673 1.00 0.00 H new ATOM 352 N SER A 28 -1.755 7.622 -5.152 1.00 0.00 N ATOM 353 CA SER A 28 -0.986 7.517 -6.380 1.00 0.00 C ATOM 354 C SER A 28 -1.751 8.169 -7.534 1.00 0.00 C ATOM 355 O SER A 28 -1.145 8.681 -8.474 1.00 0.00 O ATOM 356 CB SER A 28 -0.672 6.056 -6.710 1.00 0.00 C ATOM 357 OG SER A 28 -1.822 5.355 -7.173 1.00 0.00 O ATOM 0 H SER A 28 -2.045 6.729 -4.752 1.00 0.00 H new ATOM 0 HA SER A 28 -0.041 8.041 -6.237 1.00 0.00 H new ATOM 0 HB2 SER A 28 0.108 6.016 -7.470 1.00 0.00 H new ATOM 0 HB3 SER A 28 -0.278 5.560 -5.823 1.00 0.00 H new ATOM 0 HG SER A 28 -2.630 5.789 -6.829 1.00 0.00 H new ATOM 363 N ARG A 29 -3.070 8.129 -7.424 1.00 0.00 N ATOM 364 CA ARG A 29 -3.924 8.710 -8.446 1.00 0.00 C ATOM 365 C ARG A 29 -3.977 10.231 -8.293 1.00 0.00 C ATOM 366 O ARG A 29 -4.214 10.949 -9.264 1.00 0.00 O ATOM 367 CB ARG A 29 -5.344 8.146 -8.363 1.00 0.00 C ATOM 368 CG ARG A 29 -5.996 8.094 -9.746 1.00 0.00 C ATOM 369 CD ARG A 29 -5.528 6.863 -10.526 1.00 0.00 C ATOM 370 NE ARG A 29 -6.644 6.319 -11.331 1.00 0.00 N ATOM 371 CZ ARG A 29 -6.488 5.462 -12.349 1.00 0.00 C ATOM 372 NH1 ARG A 29 -5.262 5.046 -12.693 1.00 0.00 N ATOM 373 NH2 ARG A 29 -7.559 5.021 -13.024 1.00 0.00 N ATOM 0 H ARG A 29 -3.569 7.703 -6.643 1.00 0.00 H new ATOM 0 HA ARG A 29 -3.500 8.454 -9.417 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -5.317 7.145 -7.932 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -5.946 8.764 -7.696 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -7.081 8.071 -9.640 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -5.749 8.998 -10.303 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -4.696 7.130 -11.177 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -5.162 6.103 -9.836 1.00 0.00 H new ATOM 0 HE ARG A 29 -7.591 6.615 -11.096 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -4.447 5.382 -12.180 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -5.144 4.394 -13.468 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -8.493 5.338 -12.763 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -7.440 4.369 -13.799 1.00 0.00 H new ATOM 387 N THR A 30 -3.751 10.678 -7.066 1.00 0.00 N ATOM 388 CA THR A 30 -3.770 12.101 -6.773 1.00 0.00 C ATOM 389 C THR A 30 -2.480 12.763 -7.261 1.00 0.00 C ATOM 390 O THR A 30 -2.507 13.880 -7.776 1.00 0.00 O ATOM 391 CB THR A 30 -4.010 12.272 -5.272 1.00 0.00 C ATOM 392 OG1 THR A 30 -5.107 13.179 -5.197 1.00 0.00 O ATOM 393 CG2 THR A 30 -2.866 13.012 -4.576 1.00 0.00 C ATOM 0 H THR A 30 -3.554 10.080 -6.264 1.00 0.00 H new ATOM 0 HA THR A 30 -4.578 12.603 -7.305 1.00 0.00 H new ATOM 0 HB THR A 30 -4.141 11.293 -4.812 1.00 0.00 H new ATOM 0 HG1 THR A 30 -5.331 13.345 -4.257 1.00 0.00 H new ATOM 0 HG21 THR A 30 -3.087 13.106 -3.513 1.00 0.00 H new ATOM 0 HG22 THR A 30 -1.939 12.453 -4.706 1.00 0.00 H new ATOM 0 HG23 THR A 30 -2.756 14.004 -5.013 1.00 0.00 H new ATOM 401 N ILE A 31 -1.380 12.046 -7.082 1.00 0.00 N ATOM 402 CA ILE A 31 -0.082 12.549 -7.498 1.00 0.00 C ATOM 403 C ILE A 31 -0.016 12.577 -9.026 1.00 0.00 C ATOM 404 O ILE A 31 0.501 13.527 -9.612 1.00 0.00 O ATOM 405 CB ILE A 31 1.041 11.737 -6.849 1.00 0.00 C ATOM 406 CG1 ILE A 31 2.387 12.451 -6.992 1.00 0.00 C ATOM 407 CG2 ILE A 31 1.083 10.315 -7.410 1.00 0.00 C ATOM 408 CD1 ILE A 31 2.616 13.427 -5.836 1.00 0.00 C ATOM 0 H ILE A 31 -1.361 11.120 -6.654 1.00 0.00 H new ATOM 0 HA ILE A 31 0.057 13.574 -7.154 1.00 0.00 H new ATOM 0 HB ILE A 31 0.832 11.656 -5.782 1.00 0.00 H new ATOM 0 HG12 ILE A 31 3.192 11.716 -7.017 1.00 0.00 H new ATOM 0 HG13 ILE A 31 2.418 12.990 -7.939 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.890 9.759 -6.932 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.133 9.818 -7.213 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.256 10.353 -8.486 1.00 0.00 H new ATOM 0 HD11 ILE A 31 3.579 13.921 -5.962 1.00 0.00 H new ATOM 0 HD12 ILE A 31 1.823 14.175 -5.829 1.00 0.00 H new ATOM 0 HD13 ILE A 31 2.609 12.881 -4.892 1.00 0.00 H new ATOM 420 N GLU A 32 -0.548 11.524 -9.629 1.00 0.00 N ATOM 421 CA GLU A 32 -0.556 11.416 -11.078 1.00 0.00 C ATOM 422 C GLU A 32 -1.443 12.504 -11.687 1.00 0.00 C ATOM 423 O GLU A 32 -1.184 12.974 -12.794 1.00 0.00 O ATOM 424 CB GLU A 32 -1.013 10.025 -11.521 1.00 0.00 C ATOM 425 CG GLU A 32 -2.501 10.024 -11.879 1.00 0.00 C ATOM 426 CD GLU A 32 -2.987 8.610 -12.202 1.00 0.00 C ATOM 427 OE1 GLU A 32 -2.255 7.662 -11.843 1.00 0.00 O ATOM 428 OE2 GLU A 32 -4.079 8.508 -12.800 1.00 0.00 O ATOM 0 H GLU A 32 -0.977 10.738 -9.140 1.00 0.00 H new ATOM 0 HA GLU A 32 0.462 11.561 -11.439 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -0.428 9.704 -12.383 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -0.827 9.306 -10.723 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -3.079 10.430 -11.049 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.673 10.676 -12.736 1.00 0.00 H new ATOM 435 N GLY A 33 -2.471 12.873 -10.936 1.00 0.00 N ATOM 436 CA GLY A 33 -3.398 13.897 -11.388 1.00 0.00 C ATOM 437 C GLY A 33 -2.696 15.250 -11.523 1.00 0.00 C ATOM 438 O GLY A 33 -2.861 15.941 -12.528 1.00 0.00 O ATOM 0 H GLY A 33 -2.682 12.481 -10.018 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -3.826 13.608 -12.348 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -4.225 13.981 -10.683 1.00 0.00 H new ATOM 442 N ILE A 34 -1.929 15.588 -10.498 1.00 0.00 N ATOM 443 CA ILE A 34 -1.201 16.846 -10.490 1.00 0.00 C ATOM 444 C ILE A 34 -0.034 16.762 -11.475 1.00 0.00 C ATOM 445 O ILE A 34 0.407 17.778 -12.009 1.00 0.00 O ATOM 446 CB ILE A 34 -0.779 17.212 -9.065 1.00 0.00 C ATOM 447 CG1 ILE A 34 0.528 16.513 -8.684 1.00 0.00 C ATOM 448 CG2 ILE A 34 -1.900 16.914 -8.067 1.00 0.00 C ATOM 449 CD1 ILE A 34 1.702 17.493 -8.713 1.00 0.00 C ATOM 0 H ILE A 34 -1.795 15.013 -9.666 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.843 17.660 -10.826 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.593 18.285 -9.029 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.436 16.080 -7.688 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.719 15.690 -9.373 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.574 17.183 -7.062 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.784 17.495 -8.329 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.141 15.852 -8.098 1.00 0.00 H new ATOM 0 HD11 ILE A 34 2.619 16.971 -8.438 1.00 0.00 H new ATOM 0 HD12 ILE A 34 1.806 17.906 -9.716 1.00 0.00 H new ATOM 0 HD13 ILE A 34 1.519 18.301 -8.005 1.00 0.00 H new ATOM 461 N ALA A 35 0.434 15.540 -11.685 1.00 0.00 N ATOM 462 CA ALA A 35 1.542 15.310 -12.597 1.00 0.00 C ATOM 463 C ALA A 35 1.069 15.533 -14.034 1.00 0.00 C ATOM 464 O ALA A 35 1.882 15.625 -14.952 1.00 0.00 O ATOM 465 CB ALA A 35 2.098 13.901 -12.378 1.00 0.00 C ATOM 0 H ALA A 35 0.066 14.699 -11.240 1.00 0.00 H new ATOM 0 HA ALA A 35 2.351 16.014 -12.404 1.00 0.00 H new ATOM 0 HB1 ALA A 35 2.929 13.727 -13.062 1.00 0.00 H new ATOM 0 HB2 ALA A 35 2.447 13.803 -11.350 1.00 0.00 H new ATOM 0 HB3 ALA A 35 1.314 13.167 -12.566 1.00 0.00 H new ATOM 471 N ARG A 36 -0.245 15.614 -14.185 1.00 0.00 N ATOM 472 CA ARG A 36 -0.836 15.825 -15.496 1.00 0.00 C ATOM 473 C ARG A 36 -0.279 17.101 -16.130 1.00 0.00 C ATOM 474 O ARG A 36 0.156 17.088 -17.280 1.00 0.00 O ATOM 475 CB ARG A 36 -2.359 15.933 -15.402 1.00 0.00 C ATOM 476 CG ARG A 36 -2.969 14.637 -14.865 1.00 0.00 C ATOM 477 CD ARG A 36 -2.892 13.521 -15.909 1.00 0.00 C ATOM 478 NE ARG A 36 -3.960 13.698 -16.919 1.00 0.00 N ATOM 479 CZ ARG A 36 -3.811 14.393 -18.055 1.00 0.00 C ATOM 480 NH1 ARG A 36 -2.640 14.980 -18.333 1.00 0.00 N ATOM 481 NH2 ARG A 36 -4.835 14.500 -18.913 1.00 0.00 N ATOM 0 H ARG A 36 -0.917 15.537 -13.421 1.00 0.00 H new ATOM 0 HA ARG A 36 -0.582 14.966 -16.117 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.629 16.764 -14.750 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.773 16.153 -16.386 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -2.443 14.331 -13.961 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -4.009 14.808 -14.587 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -1.916 13.532 -16.394 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -2.996 12.550 -15.424 1.00 0.00 H new ATOM 0 HE ARG A 36 -4.865 13.264 -16.739 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -1.861 14.898 -17.680 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -2.527 15.509 -19.198 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -5.727 14.053 -18.701 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -4.723 15.029 -19.778 1.00 0.00 H new ATOM 495 N GLN A 37 -0.311 18.173 -15.352 1.00 0.00 N ATOM 496 CA GLN A 37 0.185 19.455 -15.823 1.00 0.00 C ATOM 497 C GLN A 37 1.597 19.301 -16.391 1.00 0.00 C ATOM 498 O GLN A 37 2.254 18.286 -16.164 1.00 0.00 O ATOM 499 CB GLN A 37 0.154 20.500 -14.706 1.00 0.00 C ATOM 500 CG GLN A 37 -1.151 21.298 -14.738 1.00 0.00 C ATOM 501 CD GLN A 37 -0.946 22.706 -14.174 1.00 0.00 C ATOM 502 OE1 GLN A 37 0.095 23.320 -14.333 1.00 0.00 O ATOM 503 NE2 GLN A 37 -1.996 23.179 -13.508 1.00 0.00 N ATOM 0 H GLN A 37 -0.673 18.180 -14.398 1.00 0.00 H new ATOM 0 HA GLN A 37 -0.471 19.805 -16.620 1.00 0.00 H new ATOM 0 HB2 GLN A 37 0.260 20.008 -13.739 1.00 0.00 H new ATOM 0 HB3 GLN A 37 1.001 21.177 -14.813 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -1.517 21.362 -15.763 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -1.914 20.778 -14.159 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -2.838 22.611 -13.413 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -1.959 24.110 -13.093 1.00 0.00 H new ATOM 512 N PRO A 38 2.034 20.350 -17.138 1.00 0.00 N ATOM 513 CA PRO A 38 3.357 20.342 -17.740 1.00 0.00 C ATOM 514 C PRO A 38 4.439 20.595 -16.688 1.00 0.00 C ATOM 515 O PRO A 38 5.413 19.848 -16.603 1.00 0.00 O ATOM 516 CB PRO A 38 3.308 21.417 -18.812 1.00 0.00 C ATOM 517 CG PRO A 38 2.122 22.301 -18.463 1.00 0.00 C ATOM 518 CD PRO A 38 1.283 21.569 -17.428 1.00 0.00 C ATOM 0 HA PRO A 38 3.616 19.377 -18.175 1.00 0.00 H new ATOM 0 HB2 PRO A 38 4.233 21.994 -18.829 1.00 0.00 H new ATOM 0 HB3 PRO A 38 3.189 20.976 -19.802 1.00 0.00 H new ATOM 0 HG2 PRO A 38 2.463 23.259 -18.070 1.00 0.00 H new ATOM 0 HG3 PRO A 38 1.530 22.514 -19.353 1.00 0.00 H new ATOM 0 HD2 PRO A 38 1.146 22.172 -16.531 1.00 0.00 H new ATOM 0 HD3 PRO A 38 0.289 21.340 -17.813 1.00 0.00 H new ATOM 526 N GLU A 39 4.232 21.650 -15.914 1.00 0.00 N ATOM 527 CA GLU A 39 5.178 22.011 -14.872 1.00 0.00 C ATOM 528 C GLU A 39 5.378 20.840 -13.908 1.00 0.00 C ATOM 529 O GLU A 39 6.375 20.785 -13.189 1.00 0.00 O ATOM 530 CB GLU A 39 4.719 23.264 -14.125 1.00 0.00 C ATOM 531 CG GLU A 39 5.905 24.175 -13.802 1.00 0.00 C ATOM 532 CD GLU A 39 5.435 25.478 -13.151 1.00 0.00 C ATOM 533 OE1 GLU A 39 4.336 25.937 -13.530 1.00 0.00 O ATOM 534 OE2 GLU A 39 6.185 25.984 -12.288 1.00 0.00 O ATOM 0 H GLU A 39 3.423 22.267 -15.988 1.00 0.00 H new ATOM 0 HA GLU A 39 6.136 22.238 -15.340 1.00 0.00 H new ATOM 0 HB2 GLU A 39 3.993 23.807 -14.730 1.00 0.00 H new ATOM 0 HB3 GLU A 39 4.214 22.977 -13.202 1.00 0.00 H new ATOM 0 HG2 GLU A 39 6.594 23.658 -13.134 1.00 0.00 H new ATOM 0 HG3 GLU A 39 6.456 24.399 -14.716 1.00 0.00 H new ATOM 541 N LEU A 40 4.413 19.932 -13.923 1.00 0.00 N ATOM 542 CA LEU A 40 4.470 18.765 -13.058 1.00 0.00 C ATOM 543 C LEU A 40 4.863 17.540 -13.887 1.00 0.00 C ATOM 544 O LEU A 40 4.442 16.424 -13.589 1.00 0.00 O ATOM 545 CB LEU A 40 3.153 18.596 -12.299 1.00 0.00 C ATOM 546 CG LEU A 40 2.738 19.768 -11.406 1.00 0.00 C ATOM 547 CD1 LEU A 40 3.946 20.349 -10.669 1.00 0.00 C ATOM 548 CD2 LEU A 40 1.991 20.833 -12.211 1.00 0.00 C ATOM 0 H LEU A 40 3.587 19.981 -14.520 1.00 0.00 H new ATOM 0 HA LEU A 40 5.237 18.894 -12.295 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.359 18.419 -13.024 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.225 17.701 -11.680 1.00 0.00 H new ATOM 0 HG LEU A 40 2.048 19.394 -10.649 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.624 21.180 -10.041 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.398 19.577 -10.046 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.678 20.704 -11.394 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.708 21.654 -11.553 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.637 21.210 -13.004 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.095 20.395 -12.651 1.00 0.00 H new ATOM 560 N ARG A 41 5.666 17.791 -14.911 1.00 0.00 N ATOM 561 CA ARG A 41 6.120 16.723 -15.784 1.00 0.00 C ATOM 562 C ARG A 41 7.010 15.747 -15.011 1.00 0.00 C ATOM 563 O ARG A 41 6.922 14.536 -15.204 1.00 0.00 O ATOM 564 CB ARG A 41 6.902 17.281 -16.976 1.00 0.00 C ATOM 565 CG ARG A 41 7.693 16.176 -17.678 1.00 0.00 C ATOM 566 CD ARG A 41 9.144 16.146 -17.193 1.00 0.00 C ATOM 567 NE ARG A 41 10.059 16.447 -18.316 1.00 0.00 N ATOM 568 CZ ARG A 41 10.117 15.735 -19.450 1.00 0.00 C ATOM 569 NH1 ARG A 41 9.313 14.677 -19.618 1.00 0.00 N ATOM 570 NH2 ARG A 41 10.979 16.082 -20.415 1.00 0.00 N ATOM 0 H ARG A 41 6.013 18.718 -15.155 1.00 0.00 H new ATOM 0 HA ARG A 41 5.238 16.200 -16.155 1.00 0.00 H new ATOM 0 HB2 ARG A 41 6.213 17.745 -17.682 1.00 0.00 H new ATOM 0 HB3 ARG A 41 7.583 18.061 -16.636 1.00 0.00 H new ATOM 0 HG2 ARG A 41 7.223 15.211 -17.489 1.00 0.00 H new ATOM 0 HG3 ARG A 41 7.670 16.336 -18.756 1.00 0.00 H new ATOM 0 HD2 ARG A 41 9.284 16.874 -16.394 1.00 0.00 H new ATOM 0 HD3 ARG A 41 9.377 15.166 -16.776 1.00 0.00 H new ATOM 0 HE ARG A 41 10.685 17.247 -18.221 1.00 0.00 H new ATOM 0 HH11 ARG A 41 8.657 14.413 -18.883 1.00 0.00 H new ATOM 0 HH12 ARG A 41 9.357 14.135 -20.481 1.00 0.00 H new ATOM 0 HH21 ARG A 41 11.591 16.888 -20.287 1.00 0.00 H new ATOM 0 HH22 ARG A 41 11.023 15.540 -21.278 1.00 0.00 H new ATOM 584 N PRO A 42 7.868 16.327 -14.130 1.00 0.00 N ATOM 585 CA PRO A 42 8.773 15.522 -13.327 1.00 0.00 C ATOM 586 C PRO A 42 8.023 14.823 -12.191 1.00 0.00 C ATOM 587 O PRO A 42 8.519 13.854 -11.619 1.00 0.00 O ATOM 588 CB PRO A 42 9.830 16.495 -12.831 1.00 0.00 C ATOM 589 CG PRO A 42 9.227 17.881 -12.987 1.00 0.00 C ATOM 590 CD PRO A 42 8.000 17.758 -13.876 1.00 0.00 C ATOM 0 HA PRO A 42 9.232 14.712 -13.894 1.00 0.00 H new ATOM 0 HB2 PRO A 42 10.087 16.296 -11.791 1.00 0.00 H new ATOM 0 HB3 PRO A 42 10.749 16.402 -13.410 1.00 0.00 H new ATOM 0 HG2 PRO A 42 8.954 18.290 -12.014 1.00 0.00 H new ATOM 0 HG3 PRO A 42 9.952 18.565 -13.429 1.00 0.00 H new ATOM 0 HD2 PRO A 42 7.113 18.156 -13.384 1.00 0.00 H new ATOM 0 HD3 PRO A 42 8.126 18.315 -14.804 1.00 0.00 H new ATOM 598 N VAL A 43 6.841 15.344 -11.897 1.00 0.00 N ATOM 599 CA VAL A 43 6.018 14.782 -10.839 1.00 0.00 C ATOM 600 C VAL A 43 5.645 13.342 -11.199 1.00 0.00 C ATOM 601 O VAL A 43 5.441 12.511 -10.315 1.00 0.00 O ATOM 602 CB VAL A 43 4.797 15.673 -10.598 1.00 0.00 C ATOM 603 CG1 VAL A 43 3.825 15.016 -9.615 1.00 0.00 C ATOM 604 CG2 VAL A 43 5.219 17.059 -10.107 1.00 0.00 C ATOM 0 H VAL A 43 6.433 16.149 -12.373 1.00 0.00 H new ATOM 0 HA VAL A 43 6.571 14.750 -9.901 1.00 0.00 H new ATOM 0 HB VAL A 43 4.279 15.797 -11.549 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.966 15.669 -9.461 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.487 14.062 -10.020 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.328 14.848 -8.663 1.00 0.00 H new ATOM 0 HG21 VAL A 43 4.333 17.672 -9.943 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.771 16.961 -9.172 1.00 0.00 H new ATOM 0 HG23 VAL A 43 5.855 17.532 -10.855 1.00 0.00 H new ATOM 614 N LEU A 44 5.568 13.091 -12.497 1.00 0.00 N ATOM 615 CA LEU A 44 5.224 11.766 -12.984 1.00 0.00 C ATOM 616 C LEU A 44 6.192 10.742 -12.389 1.00 0.00 C ATOM 617 O LEU A 44 5.773 9.675 -11.940 1.00 0.00 O ATOM 618 CB LEU A 44 5.179 11.753 -14.514 1.00 0.00 C ATOM 619 CG LEU A 44 3.870 11.271 -15.142 1.00 0.00 C ATOM 620 CD1 LEU A 44 3.608 11.977 -16.473 1.00 0.00 C ATOM 621 CD2 LEU A 44 3.860 9.748 -15.289 1.00 0.00 C ATOM 0 H LEU A 44 5.738 13.783 -13.227 1.00 0.00 H new ATOM 0 HA LEU A 44 4.223 11.487 -12.656 1.00 0.00 H new ATOM 0 HB2 LEU A 44 5.381 12.762 -14.872 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.988 11.119 -14.876 1.00 0.00 H new ATOM 0 HG LEU A 44 3.052 11.535 -14.471 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.671 11.616 -16.898 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.541 13.052 -16.307 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.425 11.767 -17.163 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.918 9.432 -15.738 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.688 9.439 -15.927 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.967 9.287 -14.307 1.00 0.00 H new ATOM 633 N GLN A 45 7.467 11.101 -12.403 1.00 0.00 N ATOM 634 CA GLN A 45 8.497 10.226 -11.869 1.00 0.00 C ATOM 635 C GLN A 45 8.210 9.901 -10.402 1.00 0.00 C ATOM 636 O GLN A 45 8.512 8.804 -9.935 1.00 0.00 O ATOM 637 CB GLN A 45 9.884 10.850 -12.031 1.00 0.00 C ATOM 638 CG GLN A 45 10.970 9.922 -11.483 1.00 0.00 C ATOM 639 CD GLN A 45 12.291 10.123 -12.229 1.00 0.00 C ATOM 640 OE1 GLN A 45 12.413 10.953 -13.115 1.00 0.00 O ATOM 641 NE2 GLN A 45 13.269 9.319 -11.823 1.00 0.00 N ATOM 0 H GLN A 45 7.811 11.986 -12.776 1.00 0.00 H new ATOM 0 HA GLN A 45 8.485 9.295 -12.436 1.00 0.00 H new ATOM 0 HB2 GLN A 45 10.074 11.055 -13.085 1.00 0.00 H new ATOM 0 HB3 GLN A 45 9.920 11.806 -11.509 1.00 0.00 H new ATOM 0 HG2 GLN A 45 11.116 10.115 -10.420 1.00 0.00 H new ATOM 0 HG3 GLN A 45 10.649 8.885 -11.578 1.00 0.00 H new ATOM 0 HE21 GLN A 45 13.099 8.646 -11.075 1.00 0.00 H new ATOM 0 HE22 GLN A 45 14.189 9.375 -12.259 1.00 0.00 H new ATOM 650 N THR A 46 7.629 10.875 -9.716 1.00 0.00 N ATOM 651 CA THR A 46 7.298 10.706 -8.312 1.00 0.00 C ATOM 652 C THR A 46 6.116 9.748 -8.154 1.00 0.00 C ATOM 653 O THR A 46 6.078 8.952 -7.216 1.00 0.00 O ATOM 654 CB THR A 46 7.040 12.092 -7.717 1.00 0.00 C ATOM 655 OG1 THR A 46 7.757 12.080 -6.485 1.00 0.00 O ATOM 656 CG2 THR A 46 5.582 12.287 -7.297 1.00 0.00 C ATOM 0 H THR A 46 7.379 11.783 -10.107 1.00 0.00 H new ATOM 0 HA THR A 46 8.122 10.249 -7.764 1.00 0.00 H new ATOM 0 HB THR A 46 7.313 12.856 -8.445 1.00 0.00 H new ATOM 0 HG1 THR A 46 7.646 12.943 -6.033 1.00 0.00 H new ATOM 0 HG21 THR A 46 5.454 13.287 -6.882 1.00 0.00 H new ATOM 0 HG22 THR A 46 4.934 12.169 -8.166 1.00 0.00 H new ATOM 0 HG23 THR A 46 5.318 11.544 -6.544 1.00 0.00 H new ATOM 664 N THR A 47 5.180 9.855 -9.085 1.00 0.00 N ATOM 665 CA THR A 47 4.000 9.008 -9.062 1.00 0.00 C ATOM 666 C THR A 47 4.374 7.563 -9.398 1.00 0.00 C ATOM 667 O THR A 47 3.741 6.625 -8.915 1.00 0.00 O ATOM 668 CB THR A 47 2.968 9.607 -10.019 1.00 0.00 C ATOM 669 OG1 THR A 47 3.501 9.342 -11.314 1.00 0.00 O ATOM 670 CG2 THR A 47 2.916 11.134 -9.943 1.00 0.00 C ATOM 0 H THR A 47 5.215 10.516 -9.861 1.00 0.00 H new ATOM 0 HA THR A 47 3.558 8.973 -8.066 1.00 0.00 H new ATOM 0 HB THR A 47 1.983 9.199 -9.793 1.00 0.00 H new ATOM 0 HG1 THR A 47 4.463 9.528 -11.316 1.00 0.00 H new ATOM 0 HG21 THR A 47 2.168 11.508 -10.642 1.00 0.00 H new ATOM 0 HG22 THR A 47 2.651 11.439 -8.931 1.00 0.00 H new ATOM 0 HG23 THR A 47 3.892 11.545 -10.202 1.00 0.00 H new ATOM 678 N MET A 48 5.401 7.428 -10.224 1.00 0.00 N ATOM 679 CA MET A 48 5.867 6.113 -10.631 1.00 0.00 C ATOM 680 C MET A 48 6.479 5.359 -9.449 1.00 0.00 C ATOM 681 O MET A 48 6.234 4.166 -9.275 1.00 0.00 O ATOM 682 CB MET A 48 6.911 6.262 -11.739 1.00 0.00 C ATOM 683 CG MET A 48 7.121 4.937 -12.476 1.00 0.00 C ATOM 684 SD MET A 48 8.436 5.105 -13.670 1.00 0.00 S ATOM 685 CE MET A 48 8.031 3.758 -14.769 1.00 0.00 C ATOM 0 H MET A 48 5.924 8.208 -10.623 1.00 0.00 H new ATOM 0 HA MET A 48 5.014 5.543 -10.999 1.00 0.00 H new ATOM 0 HB2 MET A 48 6.591 7.028 -12.445 1.00 0.00 H new ATOM 0 HB3 MET A 48 7.855 6.598 -11.311 1.00 0.00 H new ATOM 0 HG2 MET A 48 7.364 4.149 -11.763 1.00 0.00 H new ATOM 0 HG3 MET A 48 6.200 4.640 -12.977 1.00 0.00 H new ATOM 0 HE1 MET A 48 8.759 3.718 -15.580 1.00 0.00 H new ATOM 0 HE2 MET A 48 8.052 2.819 -14.216 1.00 0.00 H new ATOM 0 HE3 MET A 48 7.035 3.913 -15.183 1.00 0.00 H new ATOM 695 N PHE A 49 7.265 6.085 -8.668 1.00 0.00 N ATOM 696 CA PHE A 49 7.915 5.500 -7.508 1.00 0.00 C ATOM 697 C PHE A 49 6.912 5.269 -6.376 1.00 0.00 C ATOM 698 O PHE A 49 7.047 4.320 -5.606 1.00 0.00 O ATOM 699 CB PHE A 49 8.976 6.497 -7.038 1.00 0.00 C ATOM 700 CG PHE A 49 9.672 6.098 -5.736 1.00 0.00 C ATOM 701 CD1 PHE A 49 10.769 5.294 -5.770 1.00 0.00 C ATOM 702 CD2 PHE A 49 9.194 6.546 -4.544 1.00 0.00 C ATOM 703 CE1 PHE A 49 11.415 4.924 -4.561 1.00 0.00 C ATOM 704 CE2 PHE A 49 9.841 6.176 -3.335 1.00 0.00 C ATOM 705 CZ PHE A 49 10.938 5.372 -3.369 1.00 0.00 C ATOM 0 H PHE A 49 7.466 7.074 -8.816 1.00 0.00 H new ATOM 0 HA PHE A 49 8.352 4.537 -7.773 1.00 0.00 H new ATOM 0 HB2 PHE A 49 9.727 6.608 -7.820 1.00 0.00 H new ATOM 0 HB3 PHE A 49 8.509 7.473 -6.904 1.00 0.00 H new ATOM 0 HD1 PHE A 49 11.148 4.937 -6.716 1.00 0.00 H new ATOM 0 HD2 PHE A 49 8.322 7.183 -4.517 1.00 0.00 H new ATOM 0 HE1 PHE A 49 12.286 4.286 -4.588 1.00 0.00 H new ATOM 0 HE2 PHE A 49 9.462 6.533 -2.389 1.00 0.00 H new ATOM 0 HZ PHE A 49 11.430 5.090 -2.450 1.00 0.00 H new ATOM 715 N ILE A 50 5.928 6.155 -6.310 1.00 0.00 N ATOM 716 CA ILE A 50 4.903 6.060 -5.285 1.00 0.00 C ATOM 717 C ILE A 50 3.982 4.879 -5.599 1.00 0.00 C ATOM 718 O ILE A 50 3.545 4.170 -4.694 1.00 0.00 O ATOM 719 CB ILE A 50 4.166 7.393 -5.139 1.00 0.00 C ATOM 720 CG1 ILE A 50 4.187 7.874 -3.686 1.00 0.00 C ATOM 721 CG2 ILE A 50 2.743 7.296 -5.690 1.00 0.00 C ATOM 722 CD1 ILE A 50 5.533 8.516 -3.341 1.00 0.00 C ATOM 0 H ILE A 50 5.819 6.942 -6.950 1.00 0.00 H new ATOM 0 HA ILE A 50 5.354 5.863 -4.312 1.00 0.00 H new ATOM 0 HB ILE A 50 4.691 8.141 -5.734 1.00 0.00 H new ATOM 0 HG12 ILE A 50 3.385 8.594 -3.526 1.00 0.00 H new ATOM 0 HG13 ILE A 50 3.999 7.033 -3.018 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.242 8.257 -5.574 1.00 0.00 H new ATOM 0 HG22 ILE A 50 2.779 7.031 -6.747 1.00 0.00 H new ATOM 0 HG23 ILE A 50 2.192 6.531 -5.143 1.00 0.00 H new ATOM 0 HD11 ILE A 50 5.522 8.849 -2.303 1.00 0.00 H new ATOM 0 HD12 ILE A 50 6.330 7.786 -3.479 1.00 0.00 H new ATOM 0 HD13 ILE A 50 5.707 9.371 -3.995 1.00 0.00 H new ATOM 734 N GLY A 51 3.713 4.706 -6.885 1.00 0.00 N ATOM 735 CA GLY A 51 2.851 3.624 -7.330 1.00 0.00 C ATOM 736 C GLY A 51 3.430 2.264 -6.934 1.00 0.00 C ATOM 737 O GLY A 51 2.722 1.420 -6.385 1.00 0.00 O ATOM 0 H GLY A 51 4.077 5.297 -7.633 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.859 3.742 -6.894 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.731 3.671 -8.412 1.00 0.00 H new ATOM 741 N VAL A 52 4.710 2.094 -7.228 1.00 0.00 N ATOM 742 CA VAL A 52 5.392 0.851 -6.909 1.00 0.00 C ATOM 743 C VAL A 52 5.488 0.702 -5.389 1.00 0.00 C ATOM 744 O VAL A 52 5.167 -0.353 -4.844 1.00 0.00 O ATOM 745 CB VAL A 52 6.756 0.810 -7.602 1.00 0.00 C ATOM 746 CG1 VAL A 52 7.467 -0.518 -7.333 1.00 0.00 C ATOM 747 CG2 VAL A 52 6.616 1.062 -9.104 1.00 0.00 C ATOM 0 H VAL A 52 5.293 2.796 -7.684 1.00 0.00 H new ATOM 0 HA VAL A 52 4.826 -0.002 -7.284 1.00 0.00 H new ATOM 0 HB VAL A 52 7.368 1.609 -7.184 1.00 0.00 H new ATOM 0 HG11 VAL A 52 8.434 -0.522 -7.836 1.00 0.00 H new ATOM 0 HG12 VAL A 52 7.616 -0.640 -6.260 1.00 0.00 H new ATOM 0 HG13 VAL A 52 6.858 -1.340 -7.710 1.00 0.00 H new ATOM 0 HG21 VAL A 52 7.600 1.027 -9.572 1.00 0.00 H new ATOM 0 HG22 VAL A 52 5.978 0.295 -9.544 1.00 0.00 H new ATOM 0 HG23 VAL A 52 6.170 2.043 -9.268 1.00 0.00 H new ATOM 757 N ALA A 53 5.932 1.773 -4.749 1.00 0.00 N ATOM 758 CA ALA A 53 6.075 1.775 -3.303 1.00 0.00 C ATOM 759 C ALA A 53 4.757 1.333 -2.664 1.00 0.00 C ATOM 760 O ALA A 53 4.757 0.618 -1.663 1.00 0.00 O ATOM 761 CB ALA A 53 6.513 3.164 -2.835 1.00 0.00 C ATOM 0 H ALA A 53 6.198 2.646 -5.205 1.00 0.00 H new ATOM 0 HA ALA A 53 6.845 1.069 -2.993 1.00 0.00 H new ATOM 0 HB1 ALA A 53 6.620 3.165 -1.750 1.00 0.00 H new ATOM 0 HB2 ALA A 53 7.468 3.418 -3.294 1.00 0.00 H new ATOM 0 HB3 ALA A 53 5.763 3.899 -3.126 1.00 0.00 H new ATOM 767 N LEU A 54 3.665 1.776 -3.269 1.00 0.00 N ATOM 768 CA LEU A 54 2.343 1.435 -2.772 1.00 0.00 C ATOM 769 C LEU A 54 2.093 -0.059 -2.984 1.00 0.00 C ATOM 770 O LEU A 54 1.398 -0.695 -2.193 1.00 0.00 O ATOM 771 CB LEU A 54 1.282 2.333 -3.412 1.00 0.00 C ATOM 772 CG LEU A 54 0.402 1.676 -4.478 1.00 0.00 C ATOM 773 CD1 LEU A 54 -0.701 0.833 -3.834 1.00 0.00 C ATOM 774 CD2 LEU A 54 -0.163 2.721 -5.442 1.00 0.00 C ATOM 0 H LEU A 54 3.669 2.368 -4.099 1.00 0.00 H new ATOM 0 HA LEU A 54 2.280 1.620 -1.700 1.00 0.00 H new ATOM 0 HB2 LEU A 54 0.636 2.718 -2.623 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.783 3.191 -3.861 1.00 0.00 H new ATOM 0 HG LEU A 54 1.023 0.999 -5.065 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.312 0.377 -4.613 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -0.251 0.051 -3.222 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.327 1.469 -3.208 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.785 2.228 -6.189 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.765 3.440 -4.887 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.657 3.240 -5.938 1.00 0.00 H new ATOM 786 N VAL A 55 2.674 -0.578 -4.056 1.00 0.00 N ATOM 787 CA VAL A 55 2.524 -1.986 -4.382 1.00 0.00 C ATOM 788 C VAL A 55 3.304 -2.826 -3.369 1.00 0.00 C ATOM 789 O VAL A 55 2.969 -3.984 -3.127 1.00 0.00 O ATOM 790 CB VAL A 55 2.957 -2.238 -5.827 1.00 0.00 C ATOM 791 CG1 VAL A 55 3.151 -3.733 -6.089 1.00 0.00 C ATOM 792 CG2 VAL A 55 1.955 -1.634 -6.813 1.00 0.00 C ATOM 0 H VAL A 55 3.250 -0.048 -4.710 1.00 0.00 H new ATOM 0 HA VAL A 55 1.478 -2.284 -4.314 1.00 0.00 H new ATOM 0 HB VAL A 55 3.917 -1.744 -5.980 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.459 -3.884 -7.124 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.919 -4.123 -5.421 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.213 -4.259 -5.909 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.287 -1.827 -7.833 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.975 -2.085 -6.658 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.888 -0.558 -6.651 1.00 0.00 H new ATOM 802 N GLU A 56 4.331 -2.209 -2.803 1.00 0.00 N ATOM 803 CA GLU A 56 5.162 -2.885 -1.821 1.00 0.00 C ATOM 804 C GLU A 56 4.419 -3.007 -0.490 1.00 0.00 C ATOM 805 O GLU A 56 4.940 -3.580 0.466 1.00 0.00 O ATOM 806 CB GLU A 56 6.497 -2.159 -1.640 1.00 0.00 C ATOM 807 CG GLU A 56 7.564 -2.731 -2.575 1.00 0.00 C ATOM 808 CD GLU A 56 8.931 -2.102 -2.297 1.00 0.00 C ATOM 809 OE1 GLU A 56 9.309 -2.069 -1.106 1.00 0.00 O ATOM 810 OE2 GLU A 56 9.567 -1.669 -3.282 1.00 0.00 O ATOM 0 H GLU A 56 4.607 -1.248 -3.006 1.00 0.00 H new ATOM 0 HA GLU A 56 5.378 -3.889 -2.186 1.00 0.00 H new ATOM 0 HB2 GLU A 56 6.366 -1.095 -1.839 1.00 0.00 H new ATOM 0 HB3 GLU A 56 6.828 -2.251 -0.606 1.00 0.00 H new ATOM 0 HG2 GLU A 56 7.624 -3.812 -2.446 1.00 0.00 H new ATOM 0 HG3 GLU A 56 7.280 -2.549 -3.611 1.00 0.00 H new ATOM 817 N ALA A 57 3.212 -2.460 -0.470 1.00 0.00 N ATOM 818 CA ALA A 57 2.392 -2.500 0.728 1.00 0.00 C ATOM 819 C ALA A 57 1.546 -3.775 0.719 1.00 0.00 C ATOM 820 O ALA A 57 0.974 -4.152 1.741 1.00 0.00 O ATOM 821 CB ALA A 57 1.537 -1.233 0.805 1.00 0.00 C ATOM 0 H ALA A 57 2.783 -1.987 -1.265 1.00 0.00 H new ATOM 0 HA ALA A 57 3.017 -2.525 1.620 1.00 0.00 H new ATOM 0 HB1 ALA A 57 0.922 -1.263 1.704 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.186 -0.358 0.839 1.00 0.00 H new ATOM 0 HB3 ALA A 57 0.894 -1.174 -0.073 1.00 0.00 H new ATOM 827 N LEU A 58 1.492 -4.403 -0.446 1.00 0.00 N ATOM 828 CA LEU A 58 0.725 -5.627 -0.602 1.00 0.00 C ATOM 829 C LEU A 58 1.484 -6.785 0.048 1.00 0.00 C ATOM 830 O LEU A 58 0.930 -7.511 0.873 1.00 0.00 O ATOM 831 CB LEU A 58 0.387 -5.863 -2.075 1.00 0.00 C ATOM 832 CG LEU A 58 -1.045 -6.315 -2.370 1.00 0.00 C ATOM 833 CD1 LEU A 58 -2.061 -5.393 -1.693 1.00 0.00 C ATOM 834 CD2 LEU A 58 -1.286 -6.425 -3.877 1.00 0.00 C ATOM 0 H LEU A 58 1.967 -4.087 -1.291 1.00 0.00 H new ATOM 0 HA LEU A 58 -0.233 -5.545 -0.088 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.576 -4.940 -2.623 1.00 0.00 H new ATOM 0 HB3 LEU A 58 1.072 -6.613 -2.469 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.183 -7.311 -1.949 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.071 -5.736 -1.919 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.905 -5.409 -0.614 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.932 -4.376 -2.063 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.311 -6.748 -4.059 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.123 -5.453 -4.343 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.595 -7.152 -4.304 1.00 0.00 H new ATOM 846 N PRO A 59 2.775 -6.927 -0.358 1.00 0.00 N ATOM 847 CA PRO A 59 3.615 -7.985 0.176 1.00 0.00 C ATOM 848 C PRO A 59 4.063 -7.661 1.603 1.00 0.00 C ATOM 849 O PRO A 59 4.242 -8.563 2.421 1.00 0.00 O ATOM 850 CB PRO A 59 4.775 -8.096 -0.799 1.00 0.00 C ATOM 851 CG PRO A 59 4.786 -6.793 -1.584 1.00 0.00 C ATOM 852 CD PRO A 59 3.465 -6.087 -1.332 1.00 0.00 C ATOM 0 HA PRO A 59 3.090 -8.937 0.260 1.00 0.00 H new ATOM 0 HB2 PRO A 59 5.717 -8.241 -0.270 1.00 0.00 H new ATOM 0 HB3 PRO A 59 4.647 -8.951 -1.463 1.00 0.00 H new ATOM 0 HG2 PRO A 59 5.620 -6.165 -1.271 1.00 0.00 H new ATOM 0 HG3 PRO A 59 4.917 -6.989 -2.648 1.00 0.00 H new ATOM 0 HD2 PRO A 59 3.622 -5.080 -0.946 1.00 0.00 H new ATOM 0 HD3 PRO A 59 2.887 -5.989 -2.251 1.00 0.00 H new ATOM 860 N ILE A 60 4.232 -6.372 1.859 1.00 0.00 N ATOM 861 CA ILE A 60 4.656 -5.919 3.173 1.00 0.00 C ATOM 862 C ILE A 60 3.619 -6.346 4.214 1.00 0.00 C ATOM 863 O ILE A 60 3.950 -7.034 5.178 1.00 0.00 O ATOM 864 CB ILE A 60 4.928 -4.413 3.158 1.00 0.00 C ATOM 865 CG1 ILE A 60 6.325 -4.114 2.612 1.00 0.00 C ATOM 866 CG2 ILE A 60 4.711 -3.803 4.544 1.00 0.00 C ATOM 867 CD1 ILE A 60 6.534 -2.609 2.436 1.00 0.00 C ATOM 0 H ILE A 60 4.083 -5.627 1.179 1.00 0.00 H new ATOM 0 HA ILE A 60 5.600 -6.388 3.452 1.00 0.00 H new ATOM 0 HB ILE A 60 4.212 -3.943 2.484 1.00 0.00 H new ATOM 0 HG12 ILE A 60 7.078 -4.512 3.292 1.00 0.00 H new ATOM 0 HG13 ILE A 60 6.461 -4.618 1.655 1.00 0.00 H new ATOM 0 HG21 ILE A 60 4.911 -2.732 4.506 1.00 0.00 H new ATOM 0 HG22 ILE A 60 3.680 -3.969 4.857 1.00 0.00 H new ATOM 0 HG23 ILE A 60 5.387 -4.273 5.258 1.00 0.00 H new ATOM 0 HD11 ILE A 60 7.535 -2.424 2.047 1.00 0.00 H new ATOM 0 HD12 ILE A 60 5.795 -2.218 1.737 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.421 -2.111 3.399 1.00 0.00 H new ATOM 879 N ILE A 61 2.386 -5.921 3.983 1.00 0.00 N ATOM 880 CA ILE A 61 1.299 -6.251 4.889 1.00 0.00 C ATOM 881 C ILE A 61 1.033 -7.756 4.832 1.00 0.00 C ATOM 882 O ILE A 61 0.860 -8.399 5.867 1.00 0.00 O ATOM 883 CB ILE A 61 0.067 -5.397 4.582 1.00 0.00 C ATOM 884 CG1 ILE A 61 0.421 -3.908 4.571 1.00 0.00 C ATOM 885 CG2 ILE A 61 -1.073 -5.708 5.554 1.00 0.00 C ATOM 886 CD1 ILE A 61 0.661 -3.391 5.990 1.00 0.00 C ATOM 0 H ILE A 61 2.115 -5.351 3.182 1.00 0.00 H new ATOM 0 HA ILE A 61 1.575 -6.014 5.917 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.284 -5.652 3.582 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.313 -3.747 3.966 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.386 -3.342 4.106 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.936 -5.087 5.313 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.347 -6.759 5.469 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.749 -5.499 6.574 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.911 -2.331 5.954 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.241 -3.531 6.586 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.485 -3.942 6.444 1.00 0.00 H new ATOM 898 N GLY A 62 1.007 -8.275 3.613 1.00 0.00 N ATOM 899 CA GLY A 62 0.765 -9.693 3.408 1.00 0.00 C ATOM 900 C GLY A 62 1.713 -10.540 4.261 1.00 0.00 C ATOM 901 O GLY A 62 1.323 -11.587 4.774 1.00 0.00 O ATOM 0 H GLY A 62 1.150 -7.739 2.757 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -0.268 -9.930 3.662 1.00 0.00 H new ATOM 0 HA3 GLY A 62 0.899 -9.940 2.355 1.00 0.00 H new ATOM 905 N VAL A 63 2.939 -10.055 4.385 1.00 0.00 N ATOM 906 CA VAL A 63 3.945 -10.754 5.166 1.00 0.00 C ATOM 907 C VAL A 63 3.643 -10.575 6.655 1.00 0.00 C ATOM 908 O VAL A 63 3.937 -11.456 7.462 1.00 0.00 O ATOM 909 CB VAL A 63 5.342 -10.266 4.776 1.00 0.00 C ATOM 910 CG1 VAL A 63 6.339 -10.493 5.915 1.00 0.00 C ATOM 911 CG2 VAL A 63 5.819 -10.940 3.488 1.00 0.00 C ATOM 0 H VAL A 63 3.259 -9.186 3.958 1.00 0.00 H new ATOM 0 HA VAL A 63 3.918 -11.823 4.955 1.00 0.00 H new ATOM 0 HB VAL A 63 5.283 -9.194 4.590 1.00 0.00 H new ATOM 0 HG11 VAL A 63 7.324 -10.138 5.612 1.00 0.00 H new ATOM 0 HG12 VAL A 63 6.012 -9.946 6.799 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.392 -11.557 6.145 1.00 0.00 H new ATOM 0 HG21 VAL A 63 6.814 -10.575 3.234 1.00 0.00 H new ATOM 0 HG22 VAL A 63 5.854 -12.020 3.634 1.00 0.00 H new ATOM 0 HG23 VAL A 63 5.129 -10.706 2.678 1.00 0.00 H new ATOM 921 N VAL A 64 3.061 -9.428 6.975 1.00 0.00 N ATOM 922 CA VAL A 64 2.717 -9.123 8.353 1.00 0.00 C ATOM 923 C VAL A 64 1.648 -10.105 8.837 1.00 0.00 C ATOM 924 O VAL A 64 1.840 -10.794 9.838 1.00 0.00 O ATOM 925 CB VAL A 64 2.282 -7.661 8.472 1.00 0.00 C ATOM 926 CG1 VAL A 64 1.759 -7.357 9.877 1.00 0.00 C ATOM 927 CG2 VAL A 64 3.426 -6.717 8.096 1.00 0.00 C ATOM 0 H VAL A 64 2.819 -8.699 6.304 1.00 0.00 H new ATOM 0 HA VAL A 64 3.586 -9.244 8.999 1.00 0.00 H new ATOM 0 HB VAL A 64 1.466 -7.496 7.768 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.457 -6.311 9.934 1.00 0.00 H new ATOM 0 HG12 VAL A 64 0.902 -7.995 10.092 1.00 0.00 H new ATOM 0 HG13 VAL A 64 2.545 -7.548 10.607 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.091 -5.684 8.189 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.271 -6.886 8.763 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.732 -6.908 7.067 1.00 0.00 H new ATOM 937 N PHE A 65 0.545 -10.139 8.103 1.00 0.00 N ATOM 938 CA PHE A 65 -0.554 -11.025 8.445 1.00 0.00 C ATOM 939 C PHE A 65 -0.077 -12.475 8.551 1.00 0.00 C ATOM 940 O PHE A 65 -0.458 -13.192 9.475 1.00 0.00 O ATOM 941 CB PHE A 65 -1.581 -10.921 7.315 1.00 0.00 C ATOM 942 CG PHE A 65 -1.804 -12.229 6.555 1.00 0.00 C ATOM 943 CD1 PHE A 65 -2.323 -13.310 7.198 1.00 0.00 C ATOM 944 CD2 PHE A 65 -1.484 -12.312 5.235 1.00 0.00 C ATOM 945 CE1 PHE A 65 -2.531 -14.524 6.492 1.00 0.00 C ATOM 946 CE2 PHE A 65 -1.692 -13.527 4.530 1.00 0.00 C ATOM 947 CZ PHE A 65 -2.211 -14.607 5.172 1.00 0.00 C ATOM 0 H PHE A 65 0.389 -9.567 7.273 1.00 0.00 H new ATOM 0 HA PHE A 65 -0.977 -10.738 9.408 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -2.532 -10.588 7.731 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -1.255 -10.155 6.611 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -2.577 -13.244 8.246 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -1.072 -11.454 4.724 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -2.943 -15.382 7.003 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -1.438 -13.593 3.482 1.00 0.00 H new ATOM 0 HZ PHE A 65 -2.369 -15.530 4.635 1.00 0.00 H new ATOM 957 N SER A 66 0.751 -12.864 7.593 1.00 0.00 N ATOM 958 CA SER A 66 1.285 -14.215 7.568 1.00 0.00 C ATOM 959 C SER A 66 2.066 -14.493 8.853 1.00 0.00 C ATOM 960 O SER A 66 2.007 -15.597 9.393 1.00 0.00 O ATOM 961 CB SER A 66 2.180 -14.431 6.346 1.00 0.00 C ATOM 962 OG SER A 66 3.201 -13.442 6.250 1.00 0.00 O ATOM 0 H SER A 66 1.065 -12.267 6.828 1.00 0.00 H new ATOM 0 HA SER A 66 0.449 -14.912 7.500 1.00 0.00 H new ATOM 0 HB2 SER A 66 2.637 -15.419 6.401 1.00 0.00 H new ATOM 0 HB3 SER A 66 1.571 -14.412 5.442 1.00 0.00 H new ATOM 0 HG SER A 66 3.242 -12.932 7.086 1.00 0.00 H new ATOM 968 N PHE A 67 2.780 -13.473 9.307 1.00 0.00 N ATOM 969 CA PHE A 67 3.571 -13.594 10.519 1.00 0.00 C ATOM 970 C PHE A 67 2.674 -13.644 11.757 1.00 0.00 C ATOM 971 O PHE A 67 2.997 -14.317 12.736 1.00 0.00 O ATOM 972 CB PHE A 67 4.461 -12.352 10.599 1.00 0.00 C ATOM 973 CG PHE A 67 5.941 -12.628 10.323 1.00 0.00 C ATOM 974 CD1 PHE A 67 6.316 -13.225 9.160 1.00 0.00 C ATOM 975 CD2 PHE A 67 6.880 -12.276 11.241 1.00 0.00 C ATOM 976 CE1 PHE A 67 7.689 -13.480 8.904 1.00 0.00 C ATOM 977 CE2 PHE A 67 8.254 -12.531 10.985 1.00 0.00 C ATOM 978 CZ PHE A 67 8.629 -13.128 9.822 1.00 0.00 C ATOM 0 H PHE A 67 2.827 -12.559 8.857 1.00 0.00 H new ATOM 0 HA PHE A 67 4.156 -14.513 10.490 1.00 0.00 H new ATOM 0 HB2 PHE A 67 4.100 -11.613 9.884 1.00 0.00 H new ATOM 0 HB3 PHE A 67 4.363 -11.911 11.591 1.00 0.00 H new ATOM 0 HD1 PHE A 67 5.570 -13.505 8.431 1.00 0.00 H new ATOM 0 HD2 PHE A 67 6.581 -11.803 12.165 1.00 0.00 H new ATOM 0 HE1 PHE A 67 7.987 -13.954 7.980 1.00 0.00 H new ATOM 0 HE2 PHE A 67 9.000 -12.251 11.714 1.00 0.00 H new ATOM 0 HZ PHE A 67 9.673 -13.323 9.627 1.00 0.00 H new ATOM 988 N ILE A 68 1.565 -12.924 11.675 1.00 0.00 N ATOM 989 CA ILE A 68 0.619 -12.877 12.776 1.00 0.00 C ATOM 990 C ILE A 68 0.227 -14.304 13.167 1.00 0.00 C ATOM 991 O ILE A 68 0.395 -14.705 14.317 1.00 0.00 O ATOM 992 CB ILE A 68 -0.574 -11.988 12.421 1.00 0.00 C ATOM 993 CG1 ILE A 68 -0.219 -10.507 12.578 1.00 0.00 C ATOM 994 CG2 ILE A 68 -1.808 -12.371 13.240 1.00 0.00 C ATOM 995 CD1 ILE A 68 -0.109 -10.123 14.054 1.00 0.00 C ATOM 0 H ILE A 68 1.300 -12.368 10.862 1.00 0.00 H new ATOM 0 HA ILE A 68 1.078 -12.420 13.652 1.00 0.00 H new ATOM 0 HB ILE A 68 -0.821 -12.152 11.372 1.00 0.00 H new ATOM 0 HG12 ILE A 68 0.725 -10.300 12.074 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -0.980 -9.894 12.095 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -2.641 -11.723 12.967 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -2.073 -13.408 13.035 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -1.590 -12.255 14.302 1.00 0.00 H new ATOM 0 HD11 ILE A 68 0.144 -9.066 14.137 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -1.062 -10.308 14.550 1.00 0.00 H new ATOM 0 HD13 ILE A 68 0.669 -10.721 14.528 1.00 0.00 H new ATOM 1007 N TYR A 69 -0.288 -15.031 12.187 1.00 0.00 N ATOM 1008 CA TYR A 69 -0.705 -16.405 12.413 1.00 0.00 C ATOM 1009 C TYR A 69 0.383 -17.195 13.142 1.00 0.00 C ATOM 1010 O TYR A 69 0.096 -17.929 14.087 1.00 0.00 O ATOM 1011 CB TYR A 69 -0.919 -17.015 11.027 1.00 0.00 C ATOM 1012 CG TYR A 69 -1.512 -18.425 11.052 1.00 0.00 C ATOM 1013 CD1 TYR A 69 -2.496 -18.744 11.965 1.00 0.00 C ATOM 1014 CD2 TYR A 69 -1.061 -19.379 10.162 1.00 0.00 C ATOM 1015 CE1 TYR A 69 -3.054 -20.071 11.989 1.00 0.00 C ATOM 1016 CE2 TYR A 69 -1.618 -20.706 10.186 1.00 0.00 C ATOM 1017 CZ TYR A 69 -2.587 -20.987 11.098 1.00 0.00 C ATOM 1018 OH TYR A 69 -3.114 -22.241 11.121 1.00 0.00 O ATOM 0 H TYR A 69 -0.426 -14.695 11.234 1.00 0.00 H new ATOM 0 HA TYR A 69 -1.605 -16.436 13.027 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -1.579 -16.365 10.453 1.00 0.00 H new ATOM 0 HB3 TYR A 69 0.036 -17.043 10.502 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -2.848 -17.998 12.662 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -0.290 -19.130 9.448 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -3.825 -20.333 12.698 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -1.274 -21.462 9.495 1.00 0.00 H new ATOM 0 HH TYR A 69 -2.687 -22.788 10.429 1.00 0.00 H new ATOM 1028 N LEU A 70 1.611 -17.018 12.676 1.00 0.00 N ATOM 1029 CA LEU A 70 2.744 -17.706 13.272 1.00 0.00 C ATOM 1030 C LEU A 70 2.773 -17.424 14.775 1.00 0.00 C ATOM 1031 O LEU A 70 3.387 -18.168 15.538 1.00 0.00 O ATOM 1032 CB LEU A 70 4.039 -17.329 12.550 1.00 0.00 C ATOM 1033 CG LEU A 70 5.044 -18.463 12.339 1.00 0.00 C ATOM 1034 CD1 LEU A 70 5.223 -18.766 10.850 1.00 0.00 C ATOM 1035 CD2 LEU A 70 6.376 -18.151 13.025 1.00 0.00 C ATOM 0 H LEU A 70 1.846 -16.408 11.893 1.00 0.00 H new ATOM 0 HA LEU A 70 2.642 -18.785 13.152 1.00 0.00 H new ATOM 0 HB2 LEU A 70 3.781 -16.913 11.576 1.00 0.00 H new ATOM 0 HB3 LEU A 70 4.529 -16.536 13.115 1.00 0.00 H new ATOM 0 HG LEU A 70 4.646 -19.364 12.806 1.00 0.00 H new ATOM 0 HD11 LEU A 70 5.942 -19.576 10.727 1.00 0.00 H new ATOM 0 HD12 LEU A 70 4.266 -19.063 10.422 1.00 0.00 H new ATOM 0 HD13 LEU A 70 5.589 -17.875 10.339 1.00 0.00 H new ATOM 0 HD21 LEU A 70 7.072 -18.973 12.859 1.00 0.00 H new ATOM 0 HD22 LEU A 70 6.793 -17.233 12.610 1.00 0.00 H new ATOM 0 HD23 LEU A 70 6.213 -18.024 14.095 1.00 0.00 H new ATOM 1047 N GLY A 71 2.101 -16.347 15.156 1.00 0.00 N ATOM 1048 CA GLY A 71 2.042 -15.958 16.555 1.00 0.00 C ATOM 1049 C GLY A 71 2.735 -14.612 16.779 1.00 0.00 C ATOM 1050 O GLY A 71 3.147 -14.301 17.895 1.00 0.00 O ATOM 0 H GLY A 71 1.593 -15.732 14.520 1.00 0.00 H new ATOM 0 HA2 GLY A 71 1.002 -15.893 16.875 1.00 0.00 H new ATOM 0 HA3 GLY A 71 2.517 -16.723 17.169 1.00 0.00 H new ATOM 1054 N ARG A 72 2.842 -13.851 15.700 1.00 0.00 N ATOM 1055 CA ARG A 72 3.477 -12.546 15.765 1.00 0.00 C ATOM 1056 C ARG A 72 2.449 -11.442 15.509 1.00 0.00 C ATOM 1057 O ARG A 72 1.900 -10.871 16.450 1.00 0.00 O ATOM 1058 CB ARG A 72 4.605 -12.431 14.737 1.00 0.00 C ATOM 1059 CG ARG A 72 5.595 -13.589 14.878 1.00 0.00 C ATOM 1060 CD ARG A 72 6.505 -13.388 16.092 1.00 0.00 C ATOM 1061 NE ARG A 72 7.883 -13.081 15.646 1.00 0.00 N ATOM 1062 CZ ARG A 72 8.924 -12.927 16.476 1.00 0.00 C ATOM 1063 NH1 ARG A 72 8.750 -13.051 17.799 1.00 0.00 N ATOM 1064 NH2 ARG A 72 10.138 -12.650 15.983 1.00 0.00 N ATOM 0 H ARG A 72 2.500 -14.113 14.776 1.00 0.00 H new ATOM 0 HA ARG A 72 3.897 -12.431 16.764 1.00 0.00 H new ATOM 0 HB2 ARG A 72 4.186 -12.427 13.731 1.00 0.00 H new ATOM 0 HB3 ARG A 72 5.127 -11.483 14.869 1.00 0.00 H new ATOM 0 HG2 ARG A 72 5.050 -14.528 14.979 1.00 0.00 H new ATOM 0 HG3 ARG A 72 6.200 -13.667 13.975 1.00 0.00 H new ATOM 0 HD2 ARG A 72 6.125 -12.576 16.711 1.00 0.00 H new ATOM 0 HD3 ARG A 72 6.505 -14.286 16.709 1.00 0.00 H new ATOM 0 HE ARG A 72 8.051 -12.980 14.645 1.00 0.00 H new ATOM 0 HH11 ARG A 72 7.825 -13.263 18.174 1.00 0.00 H new ATOM 0 HH12 ARG A 72 9.542 -12.934 18.431 1.00 0.00 H new ATOM 0 HH21 ARG A 72 10.270 -12.556 14.976 1.00 0.00 H new ATOM 0 HH22 ARG A 72 10.930 -12.533 16.615 1.00 0.00 H new