USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 549 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 21 LYS NZ :NH3+ -129:sc= 1.95 (180deg=-0.83) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0316 USER MOD Single : A 30 LYS NZ :NH3+ -114:sc= -1.52! (180deg=-4.01!) USER MOD Single : A 31 SER OG : rot 104:sc= 0.19 USER MOD Single : A 36 LYS NZ :NH3+ -167:sc= 0.956 (180deg=0.0514!) USER MOD Single : A 37 LYS NZ :NH3+ -147:sc= -0.127 (180deg=-1.29!) USER MOD Single : A 41 GLN : amide:sc= 0.366 X(o=0.37,f=-0.028) USER MOD Single : A 43 LYS NZ :NH3+ -156:sc= -0.0537 (180deg=-1.91!) USER MOD Single : A 47 GLN : amide:sc= 1.04 K(o=1,f=-0.13) USER MOD Single : A 55 THR OG1 : rot 94:sc= 0.644 USER MOD Single : A 58 THR OG1 : rot 111:sc= 0.62 USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 TYR OH : rot 150:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -162:sc=-0.00809 (180deg=-0.193) USER MOD Single : A 75 ASN : amide:sc= -1.48 K(o=-1.5,f=-7.7!) USER MOD Single : A 78 GLN : amide:sc= -4.04! C(o=-4!,f=-8.3!) USER MOD ----------------------------------------------------------------- ATOM 1 CA LEU A 20 -10.485 -33.203 4.888 1.00 0.00 C ATOM 2 C LEU A 20 -10.548 -31.841 5.637 1.00 0.00 C ATOM 3 O LEU A 20 -10.959 -30.821 5.114 1.00 0.00 O ATOM 4 CB LEU A 20 -10.827 -33.095 3.361 1.00 0.00 C ATOM 5 CG LEU A 20 -9.665 -32.586 2.432 1.00 0.00 C ATOM 6 CD1 LEU A 20 -9.258 -31.155 2.771 1.00 0.00 C ATOM 7 CD2 LEU A 20 -8.422 -33.497 2.549 1.00 0.00 C ATOM 0 HB2 LEU A 20 -11.144 -34.077 3.009 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -11.679 -32.425 3.246 1.00 0.00 H new ATOM 0 HG LEU A 20 -10.046 -32.614 1.411 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -8.453 -30.839 2.108 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -10.114 -30.493 2.643 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -8.916 -31.109 3.805 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -7.634 -33.122 1.896 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -8.069 -33.500 3.580 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -8.686 -34.512 2.253 1.00 0.00 H new ATOM 19 N LYS A 21 -10.119 -31.864 6.873 1.00 0.00 N ATOM 20 CA LYS A 21 -10.152 -30.625 7.705 1.00 0.00 C ATOM 21 C LYS A 21 -8.783 -29.921 7.803 1.00 0.00 C ATOM 22 O LYS A 21 -8.064 -29.983 8.780 1.00 0.00 O ATOM 23 CB LYS A 21 -10.671 -30.969 9.144 1.00 0.00 C ATOM 24 CG LYS A 21 -12.182 -31.361 9.114 1.00 0.00 C ATOM 25 CD LYS A 21 -12.912 -30.975 10.459 1.00 0.00 C ATOM 26 CE LYS A 21 -13.432 -29.505 10.421 1.00 0.00 C ATOM 27 NZ LYS A 21 -12.357 -28.506 10.673 1.00 0.00 N ATOM 0 H LYS A 21 -9.747 -32.690 7.342 1.00 0.00 H new ATOM 0 HA LYS A 21 -10.830 -29.930 7.208 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -10.087 -31.790 9.559 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -10.527 -30.111 9.801 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -12.671 -30.861 8.278 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -12.276 -32.433 8.943 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -13.747 -31.654 10.629 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -12.225 -31.098 11.296 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -13.883 -29.309 9.448 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -14.217 -29.383 11.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -12.662 -27.848 11.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -11.492 -28.996 10.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -12.166 -27.974 9.800 1.00 0.00 H new ATOM 41 N THR A 22 -8.480 -29.250 6.725 1.00 0.00 N ATOM 42 CA THR A 22 -7.243 -28.393 6.665 1.00 0.00 C ATOM 43 C THR A 22 -7.746 -26.998 6.941 1.00 0.00 C ATOM 44 O THR A 22 -6.956 -26.089 6.919 1.00 0.00 O ATOM 45 CB THR A 22 -6.568 -28.398 5.273 1.00 0.00 C ATOM 46 OG1 THR A 22 -7.628 -28.422 4.336 1.00 0.00 O ATOM 47 CG2 THR A 22 -5.814 -29.692 5.019 1.00 0.00 C ATOM 0 H THR A 22 -9.037 -29.254 5.871 1.00 0.00 H new ATOM 0 HA THR A 22 -6.496 -28.760 7.369 1.00 0.00 H new ATOM 0 HB THR A 22 -5.890 -27.547 5.204 1.00 0.00 H new ATOM 0 HG1 THR A 22 -7.261 -28.425 3.427 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.354 -29.657 4.031 1.00 0.00 H new ATOM 0 HG22 THR A 22 -5.040 -29.816 5.776 1.00 0.00 H new ATOM 0 HG23 THR A 22 -6.507 -30.532 5.067 1.00 0.00 H new ATOM 55 N GLU A 23 -9.027 -26.848 7.189 1.00 0.00 N ATOM 56 CA GLU A 23 -9.571 -25.526 7.628 1.00 0.00 C ATOM 57 C GLU A 23 -10.638 -25.685 8.730 1.00 0.00 C ATOM 58 O GLU A 23 -11.279 -26.715 8.856 1.00 0.00 O ATOM 59 CB GLU A 23 -10.184 -24.742 6.449 1.00 0.00 C ATOM 60 CG GLU A 23 -11.537 -25.255 5.906 1.00 0.00 C ATOM 61 CD GLU A 23 -12.499 -24.091 5.619 1.00 0.00 C ATOM 62 OE1 GLU A 23 -12.043 -23.078 5.098 1.00 0.00 O ATOM 63 OE2 GLU A 23 -13.648 -24.292 5.944 1.00 0.00 O ATOM 0 H GLU A 23 -9.721 -27.591 7.105 1.00 0.00 H new ATOM 0 HA GLU A 23 -8.725 -24.967 8.028 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -10.313 -23.705 6.760 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -9.466 -24.743 5.629 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -11.372 -25.827 4.993 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -11.989 -25.933 6.630 1.00 0.00 H new ATOM 70 N TRP A 24 -10.777 -24.630 9.475 1.00 0.00 N ATOM 71 CA TRP A 24 -11.699 -24.579 10.645 1.00 0.00 C ATOM 72 C TRP A 24 -12.804 -23.546 10.561 1.00 0.00 C ATOM 73 O TRP A 24 -12.779 -22.544 11.245 1.00 0.00 O ATOM 74 CB TRP A 24 -10.743 -24.383 11.835 1.00 0.00 C ATOM 75 CG TRP A 24 -10.042 -25.667 12.023 1.00 0.00 C ATOM 76 CD1 TRP A 24 -10.601 -26.524 12.851 1.00 0.00 C ATOM 77 CD2 TRP A 24 -8.917 -26.152 11.483 1.00 0.00 C ATOM 78 NE1 TRP A 24 -9.782 -27.545 12.788 1.00 0.00 N ATOM 79 CE2 TRP A 24 -8.736 -27.409 11.993 1.00 0.00 C ATOM 80 CE3 TRP A 24 -8.006 -25.643 10.586 1.00 0.00 C ATOM 81 CZ2 TRP A 24 -7.658 -28.162 11.625 1.00 0.00 C ATOM 82 CZ3 TRP A 24 -6.914 -26.401 10.208 1.00 0.00 C ATOM 83 CH2 TRP A 24 -6.737 -27.667 10.730 1.00 0.00 C ATOM 0 H TRP A 24 -10.267 -23.761 9.315 1.00 0.00 H new ATOM 0 HA TRP A 24 -12.297 -25.487 10.724 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -10.034 -23.579 11.635 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -11.294 -24.106 12.734 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -11.504 -26.414 13.433 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -9.943 -28.398 13.324 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -8.144 -24.653 10.178 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -7.527 -29.151 12.038 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -6.199 -26.003 9.504 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -5.884 -28.263 10.439 1.00 0.00 H new ATOM 94 N PRO A 25 -13.765 -23.801 9.711 1.00 0.00 N ATOM 95 CA PRO A 25 -14.899 -22.864 9.536 1.00 0.00 C ATOM 96 C PRO A 25 -15.778 -22.903 10.761 1.00 0.00 C ATOM 97 O PRO A 25 -16.364 -21.905 11.113 1.00 0.00 O ATOM 98 CB PRO A 25 -15.516 -23.351 8.263 1.00 0.00 C ATOM 99 CG PRO A 25 -15.357 -24.856 8.336 1.00 0.00 C ATOM 100 CD PRO A 25 -13.894 -24.997 8.825 1.00 0.00 C ATOM 0 HA PRO A 25 -14.652 -21.806 9.451 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -16.565 -23.063 8.191 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -15.011 -22.937 7.390 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -16.065 -25.309 9.030 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -15.512 -25.331 7.367 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -13.729 -25.929 9.366 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -13.181 -24.977 8.001 1.00 0.00 H new ATOM 108 N GLU A 26 -15.844 -24.026 11.419 1.00 0.00 N ATOM 109 CA GLU A 26 -16.670 -24.142 12.656 1.00 0.00 C ATOM 110 C GLU A 26 -16.077 -23.249 13.774 1.00 0.00 C ATOM 111 O GLU A 26 -16.550 -23.222 14.894 1.00 0.00 O ATOM 112 CB GLU A 26 -16.701 -25.636 13.090 1.00 0.00 C ATOM 113 CG GLU A 26 -15.301 -26.168 13.605 1.00 0.00 C ATOM 114 CD GLU A 26 -14.367 -26.717 12.541 1.00 0.00 C ATOM 115 OE1 GLU A 26 -14.536 -26.452 11.373 1.00 0.00 O ATOM 116 OE2 GLU A 26 -13.472 -27.409 12.965 1.00 0.00 O ATOM 0 H GLU A 26 -15.355 -24.880 11.150 1.00 0.00 H new ATOM 0 HA GLU A 26 -17.688 -23.802 12.465 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -17.442 -25.763 13.879 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -17.026 -26.245 12.247 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -14.793 -25.354 14.122 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -15.481 -26.951 14.342 1.00 0.00 H new ATOM 123 N LEU A 27 -15.038 -22.526 13.451 1.00 0.00 N ATOM 124 CA LEU A 27 -14.421 -21.582 14.418 1.00 0.00 C ATOM 125 C LEU A 27 -14.804 -20.126 14.086 1.00 0.00 C ATOM 126 O LEU A 27 -14.530 -19.226 14.862 1.00 0.00 O ATOM 127 CB LEU A 27 -12.885 -21.791 14.361 1.00 0.00 C ATOM 128 CG LEU A 27 -12.478 -23.215 14.737 1.00 0.00 C ATOM 129 CD1 LEU A 27 -10.950 -23.241 14.911 1.00 0.00 C ATOM 130 CD2 LEU A 27 -13.082 -23.633 16.069 1.00 0.00 C ATOM 0 H LEU A 27 -14.584 -22.553 12.538 1.00 0.00 H new ATOM 0 HA LEU A 27 -14.786 -21.777 15.427 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -12.527 -21.567 13.356 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -12.400 -21.087 15.037 1.00 0.00 H new ATOM 0 HG LEU A 27 -12.826 -23.889 13.955 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -10.632 -24.248 15.180 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -10.472 -22.947 13.976 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -10.662 -22.546 15.700 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -12.772 -24.651 16.306 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -12.738 -22.958 16.852 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -14.169 -23.590 16.005 1.00 0.00 H new ATOM 142 N VAL A 28 -15.442 -19.904 12.968 1.00 0.00 N ATOM 143 CA VAL A 28 -15.802 -18.494 12.603 1.00 0.00 C ATOM 144 C VAL A 28 -16.842 -17.968 13.613 1.00 0.00 C ATOM 145 O VAL A 28 -17.997 -18.348 13.637 1.00 0.00 O ATOM 146 CB VAL A 28 -16.357 -18.491 11.165 1.00 0.00 C ATOM 147 CG1 VAL A 28 -16.672 -17.029 10.780 1.00 0.00 C ATOM 148 CG2 VAL A 28 -15.270 -18.998 10.186 1.00 0.00 C ATOM 0 H VAL A 28 -15.727 -20.620 12.300 1.00 0.00 H new ATOM 0 HA VAL A 28 -14.931 -17.840 12.641 1.00 0.00 H new ATOM 0 HB VAL A 28 -17.241 -19.127 11.112 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -17.067 -16.997 9.765 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -17.411 -16.622 11.470 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -15.760 -16.434 10.833 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -15.665 -18.995 9.170 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -14.399 -18.344 10.239 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -14.979 -20.012 10.459 1.00 0.00 H new ATOM 158 N GLY A 29 -16.348 -17.081 14.436 1.00 0.00 N ATOM 159 CA GLY A 29 -17.162 -16.471 15.546 1.00 0.00 C ATOM 160 C GLY A 29 -16.600 -16.917 16.903 1.00 0.00 C ATOM 161 O GLY A 29 -17.147 -16.635 17.948 1.00 0.00 O ATOM 0 H GLY A 29 -15.388 -16.740 14.389 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -17.140 -15.384 15.472 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -18.205 -16.775 15.455 1.00 0.00 H new ATOM 165 N LYS A 30 -15.504 -17.625 16.853 1.00 0.00 N ATOM 166 CA LYS A 30 -14.789 -18.150 18.075 1.00 0.00 C ATOM 167 C LYS A 30 -13.442 -17.462 18.281 1.00 0.00 C ATOM 168 O LYS A 30 -13.027 -16.799 17.355 1.00 0.00 O ATOM 169 CB LYS A 30 -14.504 -19.643 17.913 1.00 0.00 C ATOM 170 CG LYS A 30 -15.806 -20.440 17.700 1.00 0.00 C ATOM 171 CD LYS A 30 -16.778 -20.276 18.910 1.00 0.00 C ATOM 172 CE LYS A 30 -16.929 -21.593 19.659 1.00 0.00 C ATOM 173 NZ LYS A 30 -15.602 -21.897 20.248 1.00 0.00 N ATOM 0 H LYS A 30 -15.047 -17.877 15.977 1.00 0.00 H new ATOM 0 HA LYS A 30 -15.440 -17.955 18.928 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -13.837 -19.798 17.065 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -13.987 -20.015 18.798 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -16.297 -20.101 16.788 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -15.570 -21.495 17.561 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -16.400 -19.509 19.586 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -17.753 -19.938 18.557 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -17.689 -21.512 20.436 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -17.246 -22.389 18.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -15.212 -22.751 19.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -14.958 -21.096 20.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -15.704 -22.057 21.271 1.00 0.00 H new ATOM 187 N SER A 31 -12.814 -17.628 19.429 1.00 0.00 N ATOM 188 CA SER A 31 -11.454 -16.985 19.623 1.00 0.00 C ATOM 189 C SER A 31 -10.369 -17.827 19.179 1.00 0.00 C ATOM 190 O SER A 31 -10.529 -18.973 18.811 1.00 0.00 O ATOM 191 CB SER A 31 -11.200 -16.575 21.097 1.00 0.00 C ATOM 192 OG SER A 31 -10.045 -17.245 21.626 1.00 0.00 O ATOM 0 H SER A 31 -13.167 -18.164 20.222 1.00 0.00 H new ATOM 0 HA SER A 31 -11.477 -16.089 19.002 1.00 0.00 H new ATOM 0 HB2 SER A 31 -11.059 -15.496 21.159 1.00 0.00 H new ATOM 0 HB3 SER A 31 -12.074 -16.817 21.701 1.00 0.00 H new ATOM 0 HG SER A 31 -9.292 -16.619 21.663 1.00 0.00 H new ATOM 198 N VAL A 32 -9.266 -17.157 19.243 1.00 0.00 N ATOM 199 CA VAL A 32 -8.105 -17.788 18.662 1.00 0.00 C ATOM 200 C VAL A 32 -7.412 -18.826 19.536 1.00 0.00 C ATOM 201 O VAL A 32 -7.275 -19.940 19.073 1.00 0.00 O ATOM 202 CB VAL A 32 -7.215 -16.629 18.233 1.00 0.00 C ATOM 203 CG1 VAL A 32 -6.279 -16.040 19.306 1.00 0.00 C ATOM 204 CG2 VAL A 32 -6.346 -17.171 17.090 1.00 0.00 C ATOM 0 H VAL A 32 -9.134 -16.235 19.659 1.00 0.00 H new ATOM 0 HA VAL A 32 -8.390 -18.416 17.818 1.00 0.00 H new ATOM 0 HB VAL A 32 -7.878 -15.805 17.970 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -5.700 -15.223 18.875 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -6.872 -15.664 20.140 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -5.602 -16.816 19.664 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -5.680 -16.384 16.734 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -5.754 -18.012 17.451 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -6.986 -17.502 16.272 1.00 0.00 H new ATOM 214 N GLU A 33 -6.982 -18.552 20.744 1.00 0.00 N ATOM 215 CA GLU A 33 -6.359 -19.694 21.516 1.00 0.00 C ATOM 216 C GLU A 33 -7.413 -20.807 21.753 1.00 0.00 C ATOM 217 O GLU A 33 -7.102 -21.964 21.990 1.00 0.00 O ATOM 218 CB GLU A 33 -5.775 -19.123 22.839 1.00 0.00 C ATOM 219 CG GLU A 33 -4.455 -18.323 22.479 1.00 0.00 C ATOM 220 CD GLU A 33 -3.399 -19.206 21.800 1.00 0.00 C ATOM 221 OE1 GLU A 33 -2.736 -19.971 22.486 1.00 0.00 O ATOM 222 OE2 GLU A 33 -3.261 -19.121 20.591 1.00 0.00 O ATOM 0 H GLU A 33 -7.025 -17.648 21.214 1.00 0.00 H new ATOM 0 HA GLU A 33 -5.545 -20.154 20.955 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -6.498 -18.468 23.325 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -5.555 -19.929 23.539 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -4.706 -17.491 21.821 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -4.035 -17.894 23.389 1.00 0.00 H new ATOM 229 N GLU A 34 -8.650 -20.408 21.664 1.00 0.00 N ATOM 230 CA GLU A 34 -9.772 -21.386 21.745 1.00 0.00 C ATOM 231 C GLU A 34 -9.825 -22.120 20.386 1.00 0.00 C ATOM 232 O GLU A 34 -9.900 -23.328 20.315 1.00 0.00 O ATOM 233 CB GLU A 34 -11.080 -20.668 21.959 1.00 0.00 C ATOM 234 CG GLU A 34 -12.189 -21.765 21.894 1.00 0.00 C ATOM 235 CD GLU A 34 -13.568 -21.148 21.889 1.00 0.00 C ATOM 236 OE1 GLU A 34 -13.805 -20.208 21.137 1.00 0.00 O ATOM 237 OE2 GLU A 34 -14.361 -21.677 22.642 1.00 0.00 O ATOM 0 H GLU A 34 -8.935 -19.437 21.537 1.00 0.00 H new ATOM 0 HA GLU A 34 -9.615 -22.075 22.575 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -11.092 -20.158 22.922 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -11.238 -19.908 21.194 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -12.055 -22.369 20.997 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -12.091 -22.436 22.747 1.00 0.00 H new ATOM 244 N ALA A 35 -9.808 -21.394 19.310 1.00 0.00 N ATOM 245 CA ALA A 35 -9.785 -21.988 17.945 1.00 0.00 C ATOM 246 C ALA A 35 -8.732 -23.070 17.992 1.00 0.00 C ATOM 247 O ALA A 35 -8.969 -24.208 17.667 1.00 0.00 O ATOM 248 CB ALA A 35 -9.414 -20.879 16.945 1.00 0.00 C ATOM 0 H ALA A 35 -9.809 -20.374 19.319 1.00 0.00 H new ATOM 0 HA ALA A 35 -10.743 -22.407 17.636 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -9.391 -21.291 15.936 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -10.156 -20.082 16.994 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -8.432 -20.477 17.195 1.00 0.00 H new ATOM 254 N LYS A 36 -7.593 -22.643 18.444 1.00 0.00 N ATOM 255 CA LYS A 36 -6.392 -23.482 18.577 1.00 0.00 C ATOM 256 C LYS A 36 -6.822 -24.740 19.261 1.00 0.00 C ATOM 257 O LYS A 36 -6.501 -25.818 18.823 1.00 0.00 O ATOM 258 CB LYS A 36 -5.396 -22.648 19.369 1.00 0.00 C ATOM 259 CG LYS A 36 -3.992 -23.269 19.525 1.00 0.00 C ATOM 260 CD LYS A 36 -3.181 -22.110 20.132 1.00 0.00 C ATOM 261 CE LYS A 36 -1.737 -22.407 20.465 1.00 0.00 C ATOM 262 NZ LYS A 36 -1.160 -21.065 20.760 1.00 0.00 N ATOM 0 H LYS A 36 -7.446 -21.679 18.744 1.00 0.00 H new ATOM 0 HA LYS A 36 -5.918 -23.774 17.640 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -5.294 -21.677 18.884 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.807 -22.467 20.362 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -4.004 -24.141 20.178 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -3.583 -23.593 18.568 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -3.206 -21.273 19.435 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -3.682 -21.782 21.043 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -1.653 -23.076 21.321 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -1.225 -22.889 19.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -0.122 -21.131 20.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -1.445 -20.394 20.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -1.509 -20.732 21.681 1.00 0.00 H new ATOM 276 N LYS A 37 -7.573 -24.560 20.304 1.00 0.00 N ATOM 277 CA LYS A 37 -8.012 -25.747 21.071 1.00 0.00 C ATOM 278 C LYS A 37 -8.732 -26.735 20.139 1.00 0.00 C ATOM 279 O LYS A 37 -8.394 -27.897 20.036 1.00 0.00 O ATOM 280 CB LYS A 37 -8.934 -25.271 22.202 1.00 0.00 C ATOM 281 CG LYS A 37 -9.414 -26.423 23.080 1.00 0.00 C ATOM 282 CD LYS A 37 -10.378 -25.774 24.118 1.00 0.00 C ATOM 283 CE LYS A 37 -11.308 -26.814 24.722 1.00 0.00 C ATOM 284 NZ LYS A 37 -12.157 -27.279 23.581 1.00 0.00 N ATOM 0 H LYS A 37 -7.897 -23.658 20.654 1.00 0.00 H new ATOM 0 HA LYS A 37 -7.156 -26.267 21.501 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -8.405 -24.544 22.818 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -9.796 -24.759 21.774 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -9.926 -27.182 22.488 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -8.577 -26.916 23.575 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -9.799 -25.296 24.908 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -10.965 -24.992 23.636 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -10.747 -27.640 25.159 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -11.916 -26.385 25.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -13.107 -27.519 23.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -12.230 -26.522 22.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -11.725 -28.120 23.147 1.00 0.00 H new ATOM 298 N VAL A 38 -9.721 -26.216 19.471 1.00 0.00 N ATOM 299 CA VAL A 38 -10.504 -27.087 18.511 1.00 0.00 C ATOM 300 C VAL A 38 -9.603 -27.683 17.420 1.00 0.00 C ATOM 301 O VAL A 38 -9.604 -28.852 17.096 1.00 0.00 O ATOM 302 CB VAL A 38 -11.605 -26.273 17.803 1.00 0.00 C ATOM 303 CG1 VAL A 38 -12.277 -27.162 16.705 1.00 0.00 C ATOM 304 CG2 VAL A 38 -12.667 -25.773 18.800 1.00 0.00 C ATOM 0 H VAL A 38 -10.029 -25.246 19.535 1.00 0.00 H new ATOM 0 HA VAL A 38 -10.940 -27.886 19.110 1.00 0.00 H new ATOM 0 HB VAL A 38 -11.146 -25.398 17.344 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -13.057 -26.591 16.201 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -11.526 -27.471 15.978 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -12.717 -28.044 17.170 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -13.427 -25.203 18.266 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -13.133 -26.626 19.294 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -12.194 -25.136 19.547 1.00 0.00 H new ATOM 314 N ILE A 39 -8.833 -26.803 16.872 1.00 0.00 N ATOM 315 CA ILE A 39 -7.914 -27.135 15.756 1.00 0.00 C ATOM 316 C ILE A 39 -7.001 -28.262 16.182 1.00 0.00 C ATOM 317 O ILE A 39 -6.870 -29.260 15.512 1.00 0.00 O ATOM 318 CB ILE A 39 -7.153 -25.869 15.426 1.00 0.00 C ATOM 319 CG1 ILE A 39 -8.142 -24.880 14.808 1.00 0.00 C ATOM 320 CG2 ILE A 39 -6.152 -26.166 14.373 1.00 0.00 C ATOM 321 CD1 ILE A 39 -7.446 -23.657 14.214 1.00 0.00 C ATOM 0 H ILE A 39 -8.799 -25.826 17.161 1.00 0.00 H new ATOM 0 HA ILE A 39 -8.444 -27.478 14.868 1.00 0.00 H new ATOM 0 HB ILE A 39 -6.677 -25.478 16.325 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -8.716 -25.382 14.029 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -8.852 -24.557 15.569 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -5.600 -25.258 14.130 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.460 -26.927 14.733 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -6.660 -26.532 13.481 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -8.191 -22.985 13.788 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -6.894 -23.137 14.997 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -6.755 -23.975 13.433 1.00 0.00 H new ATOM 333 N LEU A 40 -6.378 -28.087 17.302 1.00 0.00 N ATOM 334 CA LEU A 40 -5.520 -29.156 17.840 1.00 0.00 C ATOM 335 C LEU A 40 -6.403 -30.371 18.104 1.00 0.00 C ATOM 336 O LEU A 40 -5.966 -31.482 17.888 1.00 0.00 O ATOM 337 CB LEU A 40 -4.866 -28.512 19.059 1.00 0.00 C ATOM 338 CG LEU A 40 -3.637 -27.775 18.488 1.00 0.00 C ATOM 339 CD1 LEU A 40 -3.455 -26.399 19.067 1.00 0.00 C ATOM 340 CD2 LEU A 40 -2.379 -28.600 18.742 1.00 0.00 C ATOM 0 H LEU A 40 -6.428 -27.242 17.871 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.732 -29.533 17.188 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.547 -27.822 19.558 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.574 -29.260 19.796 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.810 -27.655 17.419 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.574 -25.932 18.626 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.335 -25.793 18.849 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.324 -26.473 20.147 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.513 -28.077 18.337 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.248 -28.743 19.815 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.476 -29.571 18.256 1.00 0.00 H new ATOM 352 N GLN A 41 -7.608 -30.164 18.565 1.00 0.00 N ATOM 353 CA GLN A 41 -8.533 -31.333 18.738 1.00 0.00 C ATOM 354 C GLN A 41 -8.782 -32.099 17.387 1.00 0.00 C ATOM 355 O GLN A 41 -9.120 -33.268 17.419 1.00 0.00 O ATOM 356 CB GLN A 41 -9.862 -30.762 19.356 1.00 0.00 C ATOM 357 CG GLN A 41 -10.933 -31.855 19.504 1.00 0.00 C ATOM 358 CD GLN A 41 -10.477 -32.837 20.549 1.00 0.00 C ATOM 359 OE1 GLN A 41 -10.691 -32.665 21.726 1.00 0.00 O ATOM 360 NE2 GLN A 41 -9.829 -33.890 20.192 1.00 0.00 N ATOM 0 H GLN A 41 -7.991 -29.255 18.826 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.093 -32.079 19.400 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -9.651 -30.324 20.332 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -10.244 -29.961 18.723 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -11.887 -31.413 19.791 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -11.090 -32.362 18.552 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -9.635 -34.059 19.205 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -9.509 -34.555 20.896 1.00 0.00 H new ATOM 369 N ASP A 42 -8.605 -31.398 16.292 1.00 0.00 N ATOM 370 CA ASP A 42 -8.795 -31.886 14.862 1.00 0.00 C ATOM 371 C ASP A 42 -7.510 -32.380 14.095 1.00 0.00 C ATOM 372 O ASP A 42 -7.451 -33.454 13.526 1.00 0.00 O ATOM 373 CB ASP A 42 -9.465 -30.689 14.135 1.00 0.00 C ATOM 374 CG ASP A 42 -10.027 -30.950 12.734 1.00 0.00 C ATOM 375 OD1 ASP A 42 -10.099 -32.065 12.256 1.00 0.00 O ATOM 376 OD2 ASP A 42 -10.393 -29.924 12.184 1.00 0.00 O ATOM 0 H ASP A 42 -8.311 -30.422 16.328 1.00 0.00 H new ATOM 0 HA ASP A 42 -9.391 -32.798 14.881 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -10.278 -30.324 14.763 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -8.733 -29.885 14.061 1.00 0.00 H new ATOM 381 N LYS A 43 -6.502 -31.559 14.099 1.00 0.00 N ATOM 382 CA LYS A 43 -5.223 -31.858 13.391 1.00 0.00 C ATOM 383 C LYS A 43 -4.070 -31.871 14.442 1.00 0.00 C ATOM 384 O LYS A 43 -3.274 -30.956 14.537 1.00 0.00 O ATOM 385 CB LYS A 43 -5.153 -30.753 12.283 1.00 0.00 C ATOM 386 CG LYS A 43 -4.321 -31.205 11.065 1.00 0.00 C ATOM 387 CD LYS A 43 -2.849 -30.820 11.284 1.00 0.00 C ATOM 388 CE LYS A 43 -1.984 -31.459 10.190 1.00 0.00 C ATOM 389 NZ LYS A 43 -1.999 -32.932 10.430 1.00 0.00 N ATOM 0 H LYS A 43 -6.510 -30.660 14.581 1.00 0.00 H new ATOM 0 HA LYS A 43 -5.143 -32.834 12.912 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -6.163 -30.501 11.959 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.717 -29.846 12.703 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -4.411 -32.283 10.929 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -4.700 -30.736 10.157 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.739 -29.736 11.263 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.517 -31.155 12.267 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.378 -31.225 9.201 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -0.966 -31.072 10.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -1.151 -33.361 10.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -2.008 -33.117 11.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -2.849 -33.346 9.996 1.00 0.00 H new ATOM 403 N PRO A 44 -4.019 -32.944 15.217 1.00 0.00 N ATOM 404 CA PRO A 44 -3.034 -33.194 16.309 1.00 0.00 C ATOM 405 C PRO A 44 -1.798 -32.309 16.531 1.00 0.00 C ATOM 406 O PRO A 44 -1.625 -31.775 17.612 1.00 0.00 O ATOM 407 CB PRO A 44 -2.684 -34.661 16.064 1.00 0.00 C ATOM 408 CG PRO A 44 -4.070 -35.289 15.773 1.00 0.00 C ATOM 409 CD PRO A 44 -4.924 -34.137 15.128 1.00 0.00 C ATOM 0 HA PRO A 44 -3.505 -32.921 17.253 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -1.999 -34.781 15.224 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -2.206 -35.115 16.932 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -3.982 -36.139 15.096 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -4.534 -35.657 16.688 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -5.190 -34.364 14.096 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -5.856 -33.976 15.670 1.00 0.00 H new ATOM 417 N GLU A 45 -0.989 -32.157 15.514 1.00 0.00 N ATOM 418 CA GLU A 45 0.295 -31.411 15.654 1.00 0.00 C ATOM 419 C GLU A 45 0.240 -29.896 15.389 1.00 0.00 C ATOM 420 O GLU A 45 1.257 -29.235 15.492 1.00 0.00 O ATOM 421 CB GLU A 45 1.310 -32.071 14.690 1.00 0.00 C ATOM 422 CG GLU A 45 1.108 -31.577 13.201 1.00 0.00 C ATOM 423 CD GLU A 45 0.197 -32.429 12.338 1.00 0.00 C ATOM 424 OE1 GLU A 45 -0.897 -32.776 12.755 1.00 0.00 O ATOM 425 OE2 GLU A 45 0.622 -32.714 11.232 1.00 0.00 O ATOM 0 H GLU A 45 -1.168 -32.524 14.579 1.00 0.00 H new ATOM 0 HA GLU A 45 0.579 -31.479 16.704 1.00 0.00 H new ATOM 0 HB2 GLU A 45 2.324 -31.840 15.016 1.00 0.00 H new ATOM 0 HB3 GLU A 45 1.200 -33.155 14.732 1.00 0.00 H new ATOM 0 HG2 GLU A 45 0.709 -30.563 13.226 1.00 0.00 H new ATOM 0 HG3 GLU A 45 2.085 -31.523 12.721 1.00 0.00 H new ATOM 432 N ALA A 46 -0.907 -29.368 15.058 1.00 0.00 N ATOM 433 CA ALA A 46 -0.994 -27.896 14.768 1.00 0.00 C ATOM 434 C ALA A 46 -0.194 -26.942 15.744 1.00 0.00 C ATOM 435 O ALA A 46 -0.673 -26.602 16.810 1.00 0.00 O ATOM 436 CB ALA A 46 -2.507 -27.585 14.761 1.00 0.00 C ATOM 0 H ALA A 46 -1.784 -29.882 14.975 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.503 -27.689 13.817 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.660 -26.525 14.556 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.997 -28.179 13.989 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.934 -27.831 15.733 1.00 0.00 H new ATOM 442 N GLN A 47 0.998 -26.518 15.371 1.00 0.00 N ATOM 443 CA GLN A 47 1.858 -25.598 16.216 1.00 0.00 C ATOM 444 C GLN A 47 1.428 -24.163 15.843 1.00 0.00 C ATOM 445 O GLN A 47 2.164 -23.355 15.309 1.00 0.00 O ATOM 446 CB GLN A 47 3.365 -25.808 15.862 1.00 0.00 C ATOM 447 CG GLN A 47 3.802 -27.276 16.069 1.00 0.00 C ATOM 448 CD GLN A 47 3.560 -27.715 17.505 1.00 0.00 C ATOM 449 OE1 GLN A 47 4.099 -27.194 18.453 1.00 0.00 O ATOM 450 NE2 GLN A 47 2.748 -28.686 17.732 1.00 0.00 N ATOM 0 H GLN A 47 1.429 -26.779 14.484 1.00 0.00 H new ATOM 0 HA GLN A 47 1.734 -25.794 17.281 1.00 0.00 H new ATOM 0 HB2 GLN A 47 3.539 -25.519 14.825 1.00 0.00 H new ATOM 0 HB3 GLN A 47 3.979 -25.155 16.482 1.00 0.00 H new ATOM 0 HG2 GLN A 47 3.250 -27.924 15.388 1.00 0.00 H new ATOM 0 HG3 GLN A 47 4.859 -27.383 15.824 1.00 0.00 H new ATOM 0 HE21 GLN A 47 2.276 -29.148 16.955 1.00 0.00 H new ATOM 0 HE22 GLN A 47 2.576 -28.994 18.689 1.00 0.00 H new ATOM 459 N ILE A 48 0.200 -23.902 16.184 1.00 0.00 N ATOM 460 CA ILE A 48 -0.495 -22.616 15.815 1.00 0.00 C ATOM 461 C ILE A 48 -0.127 -21.275 16.495 1.00 0.00 C ATOM 462 O ILE A 48 -0.112 -21.100 17.704 1.00 0.00 O ATOM 463 CB ILE A 48 -1.985 -22.833 16.006 1.00 0.00 C ATOM 464 CG1 ILE A 48 -2.477 -24.109 15.283 1.00 0.00 C ATOM 465 CG2 ILE A 48 -2.783 -21.580 15.565 1.00 0.00 C ATOM 466 CD1 ILE A 48 -3.901 -24.403 15.647 1.00 0.00 C ATOM 0 H ILE A 48 -0.381 -24.544 16.723 1.00 0.00 H new ATOM 0 HA ILE A 48 -0.140 -22.453 14.798 1.00 0.00 H new ATOM 0 HB ILE A 48 -2.165 -22.987 17.070 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -2.391 -23.979 14.204 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -1.844 -24.954 15.554 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -3.849 -21.757 15.710 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -2.473 -20.722 16.162 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -2.589 -21.377 14.512 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -4.230 -25.304 15.129 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -3.977 -24.555 16.724 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -4.532 -23.564 15.353 1.00 0.00 H new ATOM 478 N ILE A 49 0.147 -20.372 15.588 1.00 0.00 N ATOM 479 CA ILE A 49 0.512 -18.953 15.866 1.00 0.00 C ATOM 480 C ILE A 49 -0.519 -18.087 15.101 1.00 0.00 C ATOM 481 O ILE A 49 -0.740 -18.267 13.913 1.00 0.00 O ATOM 482 CB ILE A 49 1.947 -18.664 15.367 1.00 0.00 C ATOM 483 CG1 ILE A 49 3.087 -19.171 16.310 1.00 0.00 C ATOM 484 CG2 ILE A 49 2.190 -17.144 15.175 1.00 0.00 C ATOM 485 CD1 ILE A 49 3.088 -20.696 16.514 1.00 0.00 C ATOM 0 H ILE A 49 0.129 -20.585 14.591 1.00 0.00 H new ATOM 0 HA ILE A 49 0.494 -18.734 16.934 1.00 0.00 H new ATOM 0 HB ILE A 49 1.997 -19.214 14.427 1.00 0.00 H new ATOM 0 HG12 ILE A 49 4.049 -18.868 15.898 1.00 0.00 H new ATOM 0 HG13 ILE A 49 2.988 -18.684 17.280 1.00 0.00 H new ATOM 0 HG21 ILE A 49 3.209 -16.980 14.824 1.00 0.00 H new ATOM 0 HG22 ILE A 49 1.486 -16.753 14.441 1.00 0.00 H new ATOM 0 HG23 ILE A 49 2.047 -16.630 16.125 1.00 0.00 H new ATOM 0 HD11 ILE A 49 3.906 -20.974 17.179 1.00 0.00 H new ATOM 0 HD12 ILE A 49 2.140 -21.005 16.956 1.00 0.00 H new ATOM 0 HD13 ILE A 49 3.218 -21.192 15.552 1.00 0.00 H new ATOM 497 N VAL A 50 -1.084 -17.191 15.869 1.00 0.00 N ATOM 498 CA VAL A 50 -2.127 -16.229 15.375 1.00 0.00 C ATOM 499 C VAL A 50 -1.533 -15.019 14.647 1.00 0.00 C ATOM 500 O VAL A 50 -0.378 -14.664 14.811 1.00 0.00 O ATOM 501 CB VAL A 50 -2.960 -15.719 16.593 1.00 0.00 C ATOM 502 CG1 VAL A 50 -2.049 -14.949 17.586 1.00 0.00 C ATOM 503 CG2 VAL A 50 -4.018 -14.693 16.148 1.00 0.00 C ATOM 0 H VAL A 50 -0.858 -17.080 16.858 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.747 -16.767 14.658 1.00 0.00 H new ATOM 0 HB VAL A 50 -3.416 -16.599 17.045 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.644 -14.600 18.430 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.262 -15.612 17.946 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -1.600 -14.094 17.080 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -4.584 -14.354 17.016 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -3.524 -13.841 15.681 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.696 -15.157 15.431 1.00 0.00 H new ATOM 513 N LEU A 51 -2.378 -14.422 13.845 1.00 0.00 N ATOM 514 CA LEU A 51 -2.018 -13.174 13.115 1.00 0.00 C ATOM 515 C LEU A 51 -3.289 -12.281 13.137 1.00 0.00 C ATOM 516 O LEU A 51 -4.388 -12.814 13.182 1.00 0.00 O ATOM 517 CB LEU A 51 -1.632 -13.513 11.672 1.00 0.00 C ATOM 518 CG LEU A 51 -0.266 -14.241 11.474 1.00 0.00 C ATOM 519 CD1 LEU A 51 -0.483 -15.642 10.811 1.00 0.00 C ATOM 520 CD2 LEU A 51 0.620 -13.329 10.552 1.00 0.00 C ATOM 0 H LEU A 51 -3.324 -14.758 13.663 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.170 -12.666 13.575 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.417 -14.137 11.246 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.613 -12.587 11.097 1.00 0.00 H new ATOM 0 HG LEU A 51 0.223 -14.406 12.434 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.480 -16.136 10.680 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.120 -16.253 11.451 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.960 -15.515 9.839 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.587 -13.806 10.390 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.121 -13.186 9.594 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.768 -12.362 11.032 1.00 0.00 H new ATOM 532 N PRO A 52 -3.142 -10.977 13.094 1.00 0.00 N ATOM 533 CA PRO A 52 -4.314 -10.055 13.096 1.00 0.00 C ATOM 534 C PRO A 52 -4.799 -9.893 11.644 1.00 0.00 C ATOM 535 O PRO A 52 -4.004 -9.650 10.752 1.00 0.00 O ATOM 536 CB PRO A 52 -3.734 -8.800 13.747 1.00 0.00 C ATOM 537 CG PRO A 52 -2.294 -8.739 13.165 1.00 0.00 C ATOM 538 CD PRO A 52 -1.846 -10.230 13.063 1.00 0.00 C ATOM 0 HA PRO A 52 -5.203 -10.377 13.638 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -4.310 -7.910 13.493 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -3.727 -8.876 14.834 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -2.281 -8.254 12.189 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -1.629 -8.169 13.813 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -1.292 -10.422 12.144 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -1.197 -10.514 13.892 1.00 0.00 H new ATOM 546 N VAL A 53 -6.078 -10.029 11.428 1.00 0.00 N ATOM 547 CA VAL A 53 -6.620 -9.930 10.042 1.00 0.00 C ATOM 548 C VAL A 53 -6.054 -8.837 9.194 1.00 0.00 C ATOM 549 O VAL A 53 -5.918 -7.690 9.579 1.00 0.00 O ATOM 550 CB VAL A 53 -8.130 -9.808 10.142 1.00 0.00 C ATOM 551 CG1 VAL A 53 -8.777 -9.238 8.842 1.00 0.00 C ATOM 552 CG2 VAL A 53 -8.607 -11.246 10.258 1.00 0.00 C ATOM 0 H VAL A 53 -6.774 -10.205 12.153 1.00 0.00 H new ATOM 0 HA VAL A 53 -6.313 -10.837 9.521 1.00 0.00 H new ATOM 0 HB VAL A 53 -8.396 -9.146 10.966 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -9.857 -9.173 8.972 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -8.375 -8.245 8.641 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -8.551 -9.897 8.004 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -9.694 -11.264 10.336 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -8.298 -11.804 9.375 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -8.172 -11.703 11.147 1.00 0.00 H new ATOM 562 N GLY A 54 -5.737 -9.297 8.017 1.00 0.00 N ATOM 563 CA GLY A 54 -5.114 -8.331 7.026 1.00 0.00 C ATOM 564 C GLY A 54 -3.618 -8.561 6.809 1.00 0.00 C ATOM 565 O GLY A 54 -3.123 -8.288 5.737 1.00 0.00 O ATOM 0 H GLY A 54 -5.868 -10.255 7.693 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -5.630 -8.421 6.070 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -5.270 -7.311 7.378 1.00 0.00 H new ATOM 569 N THR A 55 -2.939 -9.024 7.827 1.00 0.00 N ATOM 570 CA THR A 55 -1.498 -9.406 7.786 1.00 0.00 C ATOM 571 C THR A 55 -1.276 -10.304 6.565 1.00 0.00 C ATOM 572 O THR A 55 -1.335 -11.513 6.660 1.00 0.00 O ATOM 573 CB THR A 55 -1.345 -10.035 9.070 1.00 0.00 C ATOM 574 OG1 THR A 55 -1.508 -9.021 10.059 1.00 0.00 O ATOM 575 CG2 THR A 55 -0.069 -10.543 9.356 1.00 0.00 C ATOM 0 H THR A 55 -3.360 -9.160 8.746 1.00 0.00 H new ATOM 0 HA THR A 55 -0.760 -8.614 7.659 1.00 0.00 H new ATOM 0 HB THR A 55 -2.063 -10.855 9.065 1.00 0.00 H new ATOM 0 HG1 THR A 55 -2.441 -9.003 10.358 1.00 0.00 H new ATOM 0 HG21 THR A 55 -0.071 -10.994 10.349 1.00 0.00 H new ATOM 0 HG22 THR A 55 0.197 -11.297 8.615 1.00 0.00 H new ATOM 0 HG23 THR A 55 0.660 -9.733 9.327 1.00 0.00 H new ATOM 583 N ILE A 56 -1.051 -9.677 5.441 1.00 0.00 N ATOM 584 CA ILE A 56 -0.823 -10.439 4.174 1.00 0.00 C ATOM 585 C ILE A 56 0.292 -11.476 4.314 1.00 0.00 C ATOM 586 O ILE A 56 1.481 -11.244 4.195 1.00 0.00 O ATOM 587 CB ILE A 56 -0.498 -9.439 3.029 1.00 0.00 C ATOM 588 CG1 ILE A 56 -1.758 -8.578 2.679 1.00 0.00 C ATOM 589 CG2 ILE A 56 -0.041 -10.257 1.786 1.00 0.00 C ATOM 590 CD1 ILE A 56 -2.869 -9.394 1.953 1.00 0.00 C ATOM 0 H ILE A 56 -1.015 -8.662 5.344 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.734 -10.989 3.940 1.00 0.00 H new ATOM 0 HB ILE A 56 0.294 -8.759 3.343 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -2.167 -8.153 3.596 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.457 -7.743 2.047 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.193 -9.576 0.968 1.00 0.00 H new ATOM 0 HG22 ILE A 56 0.846 -10.838 2.039 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.841 -10.931 1.479 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -3.716 -8.743 1.737 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.474 -9.797 1.021 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -3.195 -10.214 2.593 1.00 0.00 H new ATOM 602 N VAL A 57 -0.213 -12.637 4.579 1.00 0.00 N ATOM 603 CA VAL A 57 0.654 -13.827 4.751 1.00 0.00 C ATOM 604 C VAL A 57 0.614 -14.565 3.418 1.00 0.00 C ATOM 605 O VAL A 57 0.067 -14.147 2.418 1.00 0.00 O ATOM 606 CB VAL A 57 0.137 -14.797 5.911 1.00 0.00 C ATOM 607 CG1 VAL A 57 0.426 -14.163 7.269 1.00 0.00 C ATOM 608 CG2 VAL A 57 -1.357 -15.029 5.749 1.00 0.00 C ATOM 0 H VAL A 57 -1.211 -12.818 4.686 1.00 0.00 H new ATOM 0 HA VAL A 57 1.659 -13.517 5.036 1.00 0.00 H new ATOM 0 HB VAL A 57 0.654 -15.754 5.848 1.00 0.00 H new ATOM 0 HG11 VAL A 57 0.074 -14.824 8.061 1.00 0.00 H new ATOM 0 HG12 VAL A 57 1.499 -14.007 7.377 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -0.089 -13.205 7.340 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.710 -15.691 6.540 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -1.882 -14.076 5.812 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.551 -15.487 4.779 1.00 0.00 H new ATOM 618 N THR A 58 1.225 -15.684 3.480 1.00 0.00 N ATOM 619 CA THR A 58 1.465 -16.580 2.337 1.00 0.00 C ATOM 620 C THR A 58 0.411 -17.667 2.095 1.00 0.00 C ATOM 621 O THR A 58 -0.127 -18.197 3.046 1.00 0.00 O ATOM 622 CB THR A 58 2.835 -17.176 2.594 1.00 0.00 C ATOM 623 OG1 THR A 58 3.401 -16.632 3.782 1.00 0.00 O ATOM 624 CG2 THR A 58 3.895 -16.894 1.565 1.00 0.00 C ATOM 0 H THR A 58 1.603 -16.049 4.354 1.00 0.00 H new ATOM 0 HA THR A 58 1.403 -16.003 1.415 1.00 0.00 H new ATOM 0 HB THR A 58 2.615 -18.243 2.616 1.00 0.00 H new ATOM 0 HG1 THR A 58 3.441 -17.326 4.473 1.00 0.00 H new ATOM 0 HG21 THR A 58 4.828 -17.374 1.862 1.00 0.00 H new ATOM 0 HG22 THR A 58 3.577 -17.286 0.599 1.00 0.00 H new ATOM 0 HG23 THR A 58 4.049 -15.818 1.487 1.00 0.00 H new ATOM 632 N MET A 59 0.139 -18.006 0.859 1.00 0.00 N ATOM 633 CA MET A 59 -0.811 -19.137 0.576 1.00 0.00 C ATOM 634 C MET A 59 0.019 -20.449 0.417 1.00 0.00 C ATOM 635 O MET A 59 -0.223 -21.296 -0.426 1.00 0.00 O ATOM 636 CB MET A 59 -1.589 -18.802 -0.718 1.00 0.00 C ATOM 637 CG MET A 59 -2.319 -17.449 -0.554 1.00 0.00 C ATOM 638 SD MET A 59 -1.305 -15.960 -0.730 1.00 0.00 S ATOM 639 CE MET A 59 -1.676 -15.639 -2.473 1.00 0.00 C ATOM 0 H MET A 59 0.530 -17.553 0.033 1.00 0.00 H new ATOM 0 HA MET A 59 -1.525 -19.275 1.388 1.00 0.00 H new ATOM 0 HB2 MET A 59 -0.903 -18.756 -1.564 1.00 0.00 H new ATOM 0 HB3 MET A 59 -2.310 -19.591 -0.935 1.00 0.00 H new ATOM 0 HG2 MET A 59 -3.123 -17.403 -1.289 1.00 0.00 H new ATOM 0 HG3 MET A 59 -2.786 -17.430 0.431 1.00 0.00 H new ATOM 0 HE1 MET A 59 -1.144 -14.746 -2.800 1.00 0.00 H new ATOM 0 HE2 MET A 59 -1.359 -16.491 -3.075 1.00 0.00 H new ATOM 0 HE3 MET A 59 -2.749 -15.487 -2.595 1.00 0.00 H new ATOM 649 N GLU A 60 0.993 -20.511 1.293 1.00 0.00 N ATOM 650 CA GLU A 60 1.995 -21.599 1.422 1.00 0.00 C ATOM 651 C GLU A 60 1.490 -22.814 2.245 1.00 0.00 C ATOM 652 O GLU A 60 0.326 -22.915 2.581 1.00 0.00 O ATOM 653 CB GLU A 60 3.226 -20.896 2.048 1.00 0.00 C ATOM 654 CG GLU A 60 2.965 -20.481 3.531 1.00 0.00 C ATOM 655 CD GLU A 60 4.060 -19.596 4.158 1.00 0.00 C ATOM 656 OE1 GLU A 60 5.183 -19.519 3.676 1.00 0.00 O ATOM 657 OE2 GLU A 60 3.670 -19.014 5.158 1.00 0.00 O ATOM 0 H GLU A 60 1.135 -19.774 1.984 1.00 0.00 H new ATOM 0 HA GLU A 60 2.229 -22.057 0.461 1.00 0.00 H new ATOM 0 HB2 GLU A 60 4.087 -21.563 2.003 1.00 0.00 H new ATOM 0 HB3 GLU A 60 3.477 -20.012 1.462 1.00 0.00 H new ATOM 0 HG2 GLU A 60 2.015 -19.950 3.583 1.00 0.00 H new ATOM 0 HG3 GLU A 60 2.859 -21.384 4.133 1.00 0.00 H new ATOM 664 N TYR A 61 2.390 -23.729 2.527 1.00 0.00 N ATOM 665 CA TYR A 61 2.038 -24.923 3.350 1.00 0.00 C ATOM 666 C TYR A 61 3.101 -25.292 4.401 1.00 0.00 C ATOM 667 O TYR A 61 3.857 -26.244 4.292 1.00 0.00 O ATOM 668 CB TYR A 61 1.790 -26.135 2.428 1.00 0.00 C ATOM 669 CG TYR A 61 0.532 -26.827 2.936 1.00 0.00 C ATOM 670 CD1 TYR A 61 0.490 -27.197 4.250 1.00 0.00 C ATOM 671 CD2 TYR A 61 -0.552 -27.071 2.130 1.00 0.00 C ATOM 672 CE1 TYR A 61 -0.618 -27.802 4.773 1.00 0.00 C ATOM 673 CE2 TYR A 61 -1.671 -27.683 2.654 1.00 0.00 C ATOM 674 CZ TYR A 61 -1.708 -28.049 3.977 1.00 0.00 C ATOM 675 OH TYR A 61 -2.832 -28.654 4.483 1.00 0.00 O ATOM 0 H TYR A 61 3.361 -23.695 2.217 1.00 0.00 H new ATOM 0 HA TYR A 61 1.135 -24.658 3.900 1.00 0.00 H new ATOM 0 HB2 TYR A 61 1.663 -25.814 1.394 1.00 0.00 H new ATOM 0 HB3 TYR A 61 2.641 -26.816 2.449 1.00 0.00 H new ATOM 0 HD1 TYR A 61 1.344 -27.009 4.884 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -0.528 -26.785 1.089 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -0.636 -28.086 5.815 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -2.524 -27.876 2.020 1.00 0.00 H new ATOM 0 HH TYR A 61 -3.621 -28.339 3.994 1.00 0.00 H new ATOM 685 N ARG A 62 3.097 -24.490 5.416 1.00 0.00 N ATOM 686 CA ARG A 62 3.990 -24.717 6.579 1.00 0.00 C ATOM 687 C ARG A 62 3.045 -25.597 7.400 1.00 0.00 C ATOM 688 O ARG A 62 2.527 -25.239 8.432 1.00 0.00 O ATOM 689 CB ARG A 62 4.284 -23.405 7.317 1.00 0.00 C ATOM 690 CG ARG A 62 4.773 -22.351 6.365 1.00 0.00 C ATOM 691 CD ARG A 62 6.079 -22.699 5.670 1.00 0.00 C ATOM 692 NE ARG A 62 6.559 -21.367 5.181 1.00 0.00 N ATOM 693 CZ ARG A 62 7.777 -21.005 5.133 1.00 0.00 C ATOM 694 NH1 ARG A 62 8.519 -21.373 6.091 1.00 0.00 N ATOM 695 NH2 ARG A 62 8.117 -20.308 4.126 1.00 0.00 N ATOM 0 H ARG A 62 2.500 -23.667 5.493 1.00 0.00 H new ATOM 0 HA ARG A 62 4.973 -25.131 6.355 1.00 0.00 H new ATOM 0 HB2 ARG A 62 3.382 -23.056 7.820 1.00 0.00 H new ATOM 0 HB3 ARG A 62 5.033 -23.578 8.090 1.00 0.00 H new ATOM 0 HG2 ARG A 62 4.007 -22.176 5.609 1.00 0.00 H new ATOM 0 HG3 ARG A 62 4.902 -21.416 6.910 1.00 0.00 H new ATOM 0 HD2 ARG A 62 6.791 -23.159 6.355 1.00 0.00 H new ATOM 0 HD3 ARG A 62 5.926 -23.400 4.850 1.00 0.00 H new ATOM 0 HE ARG A 62 5.856 -20.700 4.863 1.00 0.00 H new ATOM 0 HH11 ARG A 62 8.131 -21.932 6.851 1.00 0.00 H new ATOM 0 HH12 ARG A 62 9.505 -21.110 6.103 1.00 0.00 H new ATOM 0 HH21 ARG A 62 7.427 -20.070 3.414 1.00 0.00 H new ATOM 0 HH22 ARG A 62 9.080 -19.987 4.030 1.00 0.00 H new ATOM 709 N ILE A 63 2.824 -26.766 6.877 1.00 0.00 N ATOM 710 CA ILE A 63 1.919 -27.781 7.532 1.00 0.00 C ATOM 711 C ILE A 63 2.061 -27.984 9.079 1.00 0.00 C ATOM 712 O ILE A 63 1.339 -28.755 9.677 1.00 0.00 O ATOM 713 CB ILE A 63 2.155 -29.080 6.674 1.00 0.00 C ATOM 714 CG1 ILE A 63 1.375 -30.266 7.171 1.00 0.00 C ATOM 715 CG2 ILE A 63 3.622 -29.471 6.690 1.00 0.00 C ATOM 716 CD1 ILE A 63 -0.126 -30.091 7.053 1.00 0.00 C ATOM 0 H ILE A 63 3.238 -27.081 6.000 1.00 0.00 H new ATOM 0 HA ILE A 63 0.886 -27.434 7.521 1.00 0.00 H new ATOM 0 HB ILE A 63 1.817 -28.829 5.669 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.676 -31.151 6.609 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.631 -30.449 8.215 1.00 0.00 H new ATOM 0 HG21 ILE A 63 3.765 -30.371 6.092 1.00 0.00 H new ATOM 0 HG22 ILE A 63 4.219 -28.660 6.274 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.936 -29.664 7.716 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -0.627 -30.983 7.429 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.438 -29.226 7.637 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -0.393 -29.938 6.007 1.00 0.00 H new ATOM 728 N ASP A 64 2.973 -27.281 9.684 1.00 0.00 N ATOM 729 CA ASP A 64 3.252 -27.263 11.147 1.00 0.00 C ATOM 730 C ASP A 64 2.300 -26.227 11.826 1.00 0.00 C ATOM 731 O ASP A 64 2.195 -26.123 13.031 1.00 0.00 O ATOM 732 CB ASP A 64 4.734 -26.847 11.261 1.00 0.00 C ATOM 733 CG ASP A 64 4.953 -25.400 10.744 1.00 0.00 C ATOM 734 OD1 ASP A 64 4.574 -24.515 11.507 1.00 0.00 O ATOM 735 OD2 ASP A 64 5.466 -25.280 9.644 1.00 0.00 O ATOM 0 H ASP A 64 3.595 -26.659 9.167 1.00 0.00 H new ATOM 0 HA ASP A 64 3.082 -28.220 11.640 1.00 0.00 H new ATOM 0 HB2 ASP A 64 5.055 -26.917 12.300 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.353 -27.538 10.689 1.00 0.00 H new ATOM 740 N ARG A 65 1.634 -25.495 10.982 1.00 0.00 N ATOM 741 CA ARG A 65 0.779 -24.323 11.352 1.00 0.00 C ATOM 742 C ARG A 65 -0.673 -24.218 10.853 1.00 0.00 C ATOM 743 O ARG A 65 -0.937 -24.705 9.775 1.00 0.00 O ATOM 744 CB ARG A 65 1.601 -23.200 10.835 1.00 0.00 C ATOM 745 CG ARG A 65 1.228 -21.789 11.323 1.00 0.00 C ATOM 746 CD ARG A 65 2.471 -20.870 11.065 1.00 0.00 C ATOM 747 NE ARG A 65 3.631 -21.644 11.657 1.00 0.00 N ATOM 748 CZ ARG A 65 3.887 -21.660 12.892 1.00 0.00 C ATOM 749 NH1 ARG A 65 4.275 -20.618 13.503 1.00 0.00 N ATOM 750 NH2 ARG A 65 3.700 -22.797 13.404 1.00 0.00 N ATOM 0 H ARG A 65 1.648 -25.673 9.978 1.00 0.00 H new ATOM 0 HA ARG A 65 0.568 -24.372 12.420 1.00 0.00 H new ATOM 0 HB2 ARG A 65 2.641 -23.388 11.102 1.00 0.00 H new ATOM 0 HB3 ARG A 65 1.544 -23.210 9.747 1.00 0.00 H new ATOM 0 HG2 ARG A 65 0.355 -21.415 10.789 1.00 0.00 H new ATOM 0 HG3 ARG A 65 0.972 -21.803 12.382 1.00 0.00 H new ATOM 0 HD2 ARG A 65 2.616 -20.686 10.001 1.00 0.00 H new ATOM 0 HD3 ARG A 65 2.354 -19.898 11.544 1.00 0.00 H new ATOM 0 HE ARG A 65 4.232 -22.176 11.028 1.00 0.00 H new ATOM 0 HH11 ARG A 65 4.386 -19.741 12.995 1.00 0.00 H new ATOM 0 HH12 ARG A 65 4.475 -20.658 14.502 1.00 0.00 H new ATOM 0 HH21 ARG A 65 3.377 -23.571 12.823 1.00 0.00 H new ATOM 0 HH22 ARG A 65 3.872 -22.943 14.399 1.00 0.00 H new ATOM 764 N VAL A 66 -1.535 -23.601 11.634 1.00 0.00 N ATOM 765 CA VAL A 66 -2.891 -23.266 11.138 1.00 0.00 C ATOM 766 C VAL A 66 -2.816 -21.741 11.231 1.00 0.00 C ATOM 767 O VAL A 66 -2.593 -21.187 12.287 1.00 0.00 O ATOM 768 CB VAL A 66 -4.020 -23.799 12.027 1.00 0.00 C ATOM 769 CG1 VAL A 66 -5.341 -23.743 11.244 1.00 0.00 C ATOM 770 CG2 VAL A 66 -3.910 -25.254 12.193 1.00 0.00 C ATOM 0 H VAL A 66 -1.346 -23.319 12.596 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.119 -23.690 10.160 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.974 -23.224 12.952 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -6.151 -24.120 11.869 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -5.552 -22.712 10.960 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -5.259 -24.357 10.347 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -4.722 -25.610 12.828 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -3.973 -25.737 11.218 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -2.954 -25.496 12.657 1.00 0.00 H new ATOM 780 N ARG A 67 -2.988 -21.087 10.132 1.00 0.00 N ATOM 781 CA ARG A 67 -2.880 -19.606 10.105 1.00 0.00 C ATOM 782 C ARG A 67 -4.228 -19.118 10.641 1.00 0.00 C ATOM 783 O ARG A 67 -5.241 -19.411 10.029 1.00 0.00 O ATOM 784 CB ARG A 67 -2.643 -19.220 8.651 1.00 0.00 C ATOM 785 CG ARG A 67 -1.920 -17.899 8.506 1.00 0.00 C ATOM 786 CD ARG A 67 -0.445 -18.058 8.885 1.00 0.00 C ATOM 787 NE ARG A 67 0.132 -19.138 8.025 1.00 0.00 N ATOM 788 CZ ARG A 67 1.102 -18.969 7.205 1.00 0.00 C ATOM 789 NH1 ARG A 67 1.901 -17.980 7.128 1.00 0.00 N ATOM 790 NH2 ARG A 67 1.302 -19.899 6.382 1.00 0.00 N ATOM 0 H ARG A 67 -3.203 -21.517 9.233 1.00 0.00 H new ATOM 0 HA ARG A 67 -2.073 -19.176 10.698 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -2.063 -20.002 8.162 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -3.601 -19.163 8.134 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -2.003 -17.542 7.479 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -2.388 -17.148 9.143 1.00 0.00 H new ATOM 0 HD2 ARG A 67 0.092 -17.121 8.734 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -0.347 -18.315 9.940 1.00 0.00 H new ATOM 0 HE ARG A 67 -0.274 -20.071 8.096 1.00 0.00 H new ATOM 0 HH11 ARG A 67 1.805 -17.196 7.773 1.00 0.00 H new ATOM 0 HH12 ARG A 67 2.637 -17.972 6.421 1.00 0.00 H new ATOM 0 HH21 ARG A 67 0.707 -20.727 6.394 1.00 0.00 H new ATOM 0 HH22 ARG A 67 2.059 -19.825 5.703 1.00 0.00 H new ATOM 804 N LEU A 68 -4.207 -18.437 11.754 1.00 0.00 N ATOM 805 CA LEU A 68 -5.475 -17.910 12.314 1.00 0.00 C ATOM 806 C LEU A 68 -5.549 -16.404 12.145 1.00 0.00 C ATOM 807 O LEU A 68 -5.015 -15.668 12.958 1.00 0.00 O ATOM 808 CB LEU A 68 -5.577 -18.284 13.836 1.00 0.00 C ATOM 809 CG LEU A 68 -6.195 -19.694 14.069 1.00 0.00 C ATOM 810 CD1 LEU A 68 -5.425 -20.749 13.319 1.00 0.00 C ATOM 811 CD2 LEU A 68 -6.148 -20.067 15.546 1.00 0.00 C ATOM 0 H LEU A 68 -3.369 -18.225 12.295 1.00 0.00 H new ATOM 0 HA LEU A 68 -6.309 -18.359 11.774 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.583 -18.250 14.282 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -6.183 -17.537 14.350 1.00 0.00 H new ATOM 0 HG LEU A 68 -7.225 -19.651 13.716 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -5.876 -21.725 13.498 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.450 -20.528 12.252 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.391 -20.759 13.664 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -6.585 -21.056 15.686 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -5.112 -20.077 15.886 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -6.713 -19.336 16.124 1.00 0.00 H new ATOM 823 N PHE A 69 -6.163 -16.031 11.050 1.00 0.00 N ATOM 824 CA PHE A 69 -6.487 -14.594 10.899 1.00 0.00 C ATOM 825 C PHE A 69 -7.749 -14.252 11.713 1.00 0.00 C ATOM 826 O PHE A 69 -8.908 -14.499 11.390 1.00 0.00 O ATOM 827 CB PHE A 69 -6.608 -14.300 9.330 1.00 0.00 C ATOM 828 CG PHE A 69 -5.178 -14.111 9.066 1.00 0.00 C ATOM 829 CD1 PHE A 69 -4.737 -12.945 9.586 1.00 0.00 C ATOM 830 CD2 PHE A 69 -4.333 -14.989 8.442 1.00 0.00 C ATOM 831 CE1 PHE A 69 -3.460 -12.620 9.515 1.00 0.00 C ATOM 832 CE2 PHE A 69 -3.043 -14.645 8.378 1.00 0.00 C ATOM 833 CZ PHE A 69 -2.579 -13.479 8.892 1.00 0.00 C ATOM 0 H PHE A 69 -6.443 -16.641 10.282 1.00 0.00 H new ATOM 0 HA PHE A 69 -5.709 -13.945 11.301 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -7.041 -15.129 8.771 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -7.206 -13.417 9.104 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -5.435 -12.273 10.064 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -4.692 -15.916 8.021 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -3.109 -11.691 9.940 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -2.347 -15.318 7.901 1.00 0.00 H new ATOM 0 HZ PHE A 69 -1.532 -13.226 8.814 1.00 0.00 H new ATOM 843 N VAL A 70 -7.380 -13.647 12.818 1.00 0.00 N ATOM 844 CA VAL A 70 -8.413 -13.263 13.844 1.00 0.00 C ATOM 845 C VAL A 70 -8.581 -11.761 13.852 1.00 0.00 C ATOM 846 O VAL A 70 -7.869 -11.063 13.162 1.00 0.00 O ATOM 847 CB VAL A 70 -7.988 -13.705 15.251 1.00 0.00 C ATOM 848 CG1 VAL A 70 -7.391 -15.048 15.218 1.00 0.00 C ATOM 849 CG2 VAL A 70 -6.926 -12.811 15.900 1.00 0.00 C ATOM 0 H VAL A 70 -6.419 -13.403 13.056 1.00 0.00 H new ATOM 0 HA VAL A 70 -9.348 -13.758 13.580 1.00 0.00 H new ATOM 0 HB VAL A 70 -8.911 -13.658 15.830 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -7.097 -15.340 16.226 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -8.119 -15.761 14.831 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -6.513 -15.040 14.572 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -6.684 -13.195 16.891 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.028 -12.807 15.283 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -7.310 -11.795 15.988 1.00 0.00 H new ATOM 859 N ASP A 71 -9.473 -11.240 14.636 1.00 0.00 N ATOM 860 CA ASP A 71 -9.676 -9.782 14.530 1.00 0.00 C ATOM 861 C ASP A 71 -9.004 -8.990 15.649 1.00 0.00 C ATOM 862 O ASP A 71 -7.929 -9.275 16.146 1.00 0.00 O ATOM 863 CB ASP A 71 -11.211 -9.560 14.489 1.00 0.00 C ATOM 864 CG ASP A 71 -11.819 -9.595 15.879 1.00 0.00 C ATOM 865 OD1 ASP A 71 -11.484 -10.477 16.646 1.00 0.00 O ATOM 866 OD2 ASP A 71 -12.580 -8.662 16.055 1.00 0.00 O ATOM 0 H ASP A 71 -10.047 -11.736 15.317 1.00 0.00 H new ATOM 0 HA ASP A 71 -9.198 -9.403 13.626 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -11.428 -8.600 14.021 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -11.674 -10.328 13.870 1.00 0.00 H new ATOM 871 N LYS A 72 -9.767 -7.996 15.980 1.00 0.00 N ATOM 872 CA LYS A 72 -9.418 -6.993 17.012 1.00 0.00 C ATOM 873 C LYS A 72 -9.820 -7.424 18.432 1.00 0.00 C ATOM 874 O LYS A 72 -9.574 -6.762 19.419 1.00 0.00 O ATOM 875 CB LYS A 72 -10.124 -5.674 16.619 1.00 0.00 C ATOM 876 CG LYS A 72 -9.803 -5.102 15.194 1.00 0.00 C ATOM 877 CD LYS A 72 -10.459 -5.951 14.044 1.00 0.00 C ATOM 878 CE LYS A 72 -10.787 -5.090 12.783 1.00 0.00 C ATOM 879 NZ LYS A 72 -11.907 -4.121 13.092 1.00 0.00 N ATOM 0 H LYS A 72 -10.676 -7.830 15.548 1.00 0.00 H new ATOM 0 HA LYS A 72 -8.335 -6.874 17.043 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -11.201 -5.830 16.689 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -9.864 -4.915 17.357 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -10.158 -4.073 15.130 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -8.723 -5.076 15.051 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -9.785 -6.760 13.763 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -11.374 -6.413 14.414 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -9.899 -4.543 12.466 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -11.075 -5.738 11.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -12.323 -3.777 12.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -12.638 -4.603 13.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -11.531 -3.316 13.633 1.00 0.00 H new ATOM 893 N LEU A 73 -10.420 -8.557 18.427 1.00 0.00 N ATOM 894 CA LEU A 73 -10.953 -9.244 19.632 1.00 0.00 C ATOM 895 C LEU A 73 -10.574 -10.747 19.563 1.00 0.00 C ATOM 896 O LEU A 73 -11.372 -11.575 19.946 1.00 0.00 O ATOM 897 CB LEU A 73 -12.456 -9.051 19.586 1.00 0.00 C ATOM 898 CG LEU A 73 -12.892 -7.575 19.473 1.00 0.00 C ATOM 899 CD1 LEU A 73 -14.411 -7.559 19.253 1.00 0.00 C ATOM 900 CD2 LEU A 73 -12.592 -6.793 20.761 1.00 0.00 C ATOM 0 H LEU A 73 -10.579 -9.084 17.568 1.00 0.00 H new ATOM 0 HA LEU A 73 -10.545 -8.846 20.561 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -12.858 -9.605 18.738 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -12.896 -9.482 20.485 1.00 0.00 H new ATOM 0 HG LEU A 73 -12.346 -7.109 18.653 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -14.756 -6.528 19.168 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -14.652 -8.098 18.337 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -14.906 -8.039 20.097 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -12.913 -5.758 20.642 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -13.128 -7.246 21.595 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -11.521 -6.819 20.962 1.00 0.00 H new ATOM 912 N ASP A 74 -9.390 -11.033 19.082 1.00 0.00 N ATOM 913 CA ASP A 74 -8.879 -12.431 18.943 1.00 0.00 C ATOM 914 C ASP A 74 -9.926 -13.478 18.528 1.00 0.00 C ATOM 915 O ASP A 74 -9.766 -14.652 18.788 1.00 0.00 O ATOM 916 CB ASP A 74 -8.171 -12.659 20.347 1.00 0.00 C ATOM 917 CG ASP A 74 -8.874 -13.643 21.315 1.00 0.00 C ATOM 918 OD1 ASP A 74 -8.646 -14.845 21.237 1.00 0.00 O ATOM 919 OD2 ASP A 74 -9.635 -13.136 22.117 1.00 0.00 O ATOM 0 H ASP A 74 -8.730 -10.322 18.767 1.00 0.00 H new ATOM 0 HA ASP A 74 -8.195 -12.562 18.105 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -7.159 -13.021 20.166 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -8.080 -11.694 20.846 1.00 0.00 H new ATOM 924 N ASN A 75 -10.952 -13.028 17.862 1.00 0.00 N ATOM 925 CA ASN A 75 -12.008 -13.935 17.370 1.00 0.00 C ATOM 926 C ASN A 75 -11.845 -13.965 15.860 1.00 0.00 C ATOM 927 O ASN A 75 -11.411 -13.033 15.207 1.00 0.00 O ATOM 928 CB ASN A 75 -13.378 -13.380 17.851 1.00 0.00 C ATOM 929 CG ASN A 75 -13.527 -13.729 19.311 1.00 0.00 C ATOM 930 OD1 ASN A 75 -13.409 -14.851 19.751 1.00 0.00 O ATOM 931 ND2 ASN A 75 -13.798 -12.766 20.111 1.00 0.00 N ATOM 0 H ASN A 75 -11.100 -12.044 17.636 1.00 0.00 H new ATOM 0 HA ASN A 75 -11.945 -14.956 17.747 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -13.424 -12.300 17.709 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -14.192 -13.813 17.269 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -13.912 -12.948 21.108 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -13.900 -11.817 19.751 1.00 0.00 H new ATOM 938 N ILE A 76 -12.222 -15.101 15.375 1.00 0.00 N ATOM 939 CA ILE A 76 -12.061 -15.444 13.960 1.00 0.00 C ATOM 940 C ILE A 76 -12.968 -14.766 12.993 1.00 0.00 C ATOM 941 O ILE A 76 -14.185 -14.825 12.966 1.00 0.00 O ATOM 942 CB ILE A 76 -12.152 -16.940 13.888 1.00 0.00 C ATOM 943 CG1 ILE A 76 -10.839 -17.254 14.650 1.00 0.00 C ATOM 944 CG2 ILE A 76 -12.065 -17.380 12.378 1.00 0.00 C ATOM 945 CD1 ILE A 76 -10.680 -18.651 14.815 1.00 0.00 C ATOM 0 H ILE A 76 -12.655 -15.836 15.934 1.00 0.00 H new ATOM 0 HA ILE A 76 -11.095 -15.063 13.627 1.00 0.00 H new ATOM 0 HB ILE A 76 -13.049 -17.420 14.279 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -9.988 -16.848 14.102 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -10.853 -16.767 15.625 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -12.130 -18.466 12.311 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -12.888 -16.932 11.821 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -11.117 -17.047 11.956 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -9.753 -18.851 15.352 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -11.521 -19.048 15.383 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -10.644 -19.131 13.837 1.00 0.00 H new ATOM 957 N ALA A 77 -12.157 -14.160 12.186 1.00 0.00 N ATOM 958 CA ALA A 77 -12.546 -13.236 11.136 1.00 0.00 C ATOM 959 C ALA A 77 -12.423 -13.860 9.716 1.00 0.00 C ATOM 960 O ALA A 77 -13.281 -13.702 8.869 1.00 0.00 O ATOM 961 CB ALA A 77 -11.616 -12.123 11.637 1.00 0.00 C ATOM 0 H ALA A 77 -11.147 -14.295 12.234 1.00 0.00 H new ATOM 0 HA ALA A 77 -13.572 -12.900 10.988 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -11.711 -11.251 10.990 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -11.891 -11.850 12.656 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -10.585 -12.476 11.621 1.00 0.00 H new ATOM 967 N GLN A 78 -11.344 -14.560 9.527 1.00 0.00 N ATOM 968 CA GLN A 78 -11.047 -15.251 8.213 1.00 0.00 C ATOM 969 C GLN A 78 -11.163 -16.754 8.538 1.00 0.00 C ATOM 970 O GLN A 78 -10.955 -17.080 9.694 1.00 0.00 O ATOM 971 CB GLN A 78 -9.598 -14.910 7.767 1.00 0.00 C ATOM 972 CG GLN A 78 -9.414 -13.375 7.458 1.00 0.00 C ATOM 973 CD GLN A 78 -7.997 -13.022 6.931 1.00 0.00 C ATOM 974 OE1 GLN A 78 -7.418 -11.996 7.224 1.00 0.00 O ATOM 975 NE2 GLN A 78 -7.386 -13.845 6.143 1.00 0.00 N ATOM 0 H GLN A 78 -10.627 -14.694 10.239 1.00 0.00 H new ATOM 0 HA GLN A 78 -11.718 -14.948 7.409 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -8.900 -15.207 8.549 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -9.347 -15.490 6.879 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -10.156 -13.068 6.720 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -9.610 -12.803 8.365 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -7.835 -14.719 5.871 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -6.454 -13.620 5.794 1.00 0.00 H new ATOM 984 N VAL A 79 -11.468 -17.679 7.645 1.00 0.00 N ATOM 985 CA VAL A 79 -11.488 -19.067 8.234 1.00 0.00 C ATOM 986 C VAL A 79 -10.022 -19.497 8.415 1.00 0.00 C ATOM 987 O VAL A 79 -9.192 -19.244 7.552 1.00 0.00 O ATOM 988 CB VAL A 79 -12.209 -20.143 7.331 1.00 0.00 C ATOM 989 CG1 VAL A 79 -12.154 -21.523 8.060 1.00 0.00 C ATOM 990 CG2 VAL A 79 -13.688 -19.856 7.396 1.00 0.00 C ATOM 0 H VAL A 79 -11.680 -17.563 6.654 1.00 0.00 H new ATOM 0 HA VAL A 79 -12.050 -19.022 9.167 1.00 0.00 H new ATOM 0 HB VAL A 79 -11.760 -20.132 6.338 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -12.648 -22.278 7.448 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -11.114 -21.809 8.219 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -12.661 -21.447 9.022 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -14.226 -20.579 6.783 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -14.028 -19.931 8.429 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -13.880 -18.850 7.023 1.00 0.00 H new ATOM 1000 N PRO A 80 -9.738 -20.153 9.516 1.00 0.00 N ATOM 1001 CA PRO A 80 -8.357 -20.575 9.846 1.00 0.00 C ATOM 1002 C PRO A 80 -8.071 -21.833 9.016 1.00 0.00 C ATOM 1003 O PRO A 80 -8.989 -22.565 8.685 1.00 0.00 O ATOM 1004 CB PRO A 80 -8.396 -20.802 11.363 1.00 0.00 C ATOM 1005 CG PRO A 80 -9.782 -20.218 11.768 1.00 0.00 C ATOM 1006 CD PRO A 80 -10.668 -20.586 10.595 1.00 0.00 C ATOM 0 HA PRO A 80 -7.560 -19.869 9.614 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -8.314 -21.859 11.615 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -7.578 -20.289 11.869 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -10.146 -20.652 12.699 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -9.737 -19.139 11.916 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -10.906 -21.649 10.555 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -11.615 -20.046 10.587 1.00 0.00 H new ATOM 1014 N ARG A 81 -6.828 -22.050 8.705 1.00 0.00 N ATOM 1015 CA ARG A 81 -6.485 -23.243 7.870 1.00 0.00 C ATOM 1016 C ARG A 81 -5.030 -23.613 7.984 1.00 0.00 C ATOM 1017 O ARG A 81 -4.233 -22.779 8.365 1.00 0.00 O ATOM 1018 CB ARG A 81 -6.891 -22.956 6.409 1.00 0.00 C ATOM 1019 CG ARG A 81 -6.190 -21.723 5.931 1.00 0.00 C ATOM 1020 CD ARG A 81 -6.983 -21.110 4.755 1.00 0.00 C ATOM 1021 NE ARG A 81 -8.301 -20.683 5.345 1.00 0.00 N ATOM 1022 CZ ARG A 81 -9.398 -21.304 5.118 1.00 0.00 C ATOM 1023 NH1 ARG A 81 -9.897 -21.564 3.968 1.00 0.00 N ATOM 1024 NH2 ARG A 81 -9.983 -21.669 6.157 1.00 0.00 N ATOM 0 H ARG A 81 -6.040 -21.466 8.985 1.00 0.00 H new ATOM 0 HA ARG A 81 -7.040 -24.107 8.236 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -6.632 -23.804 5.775 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -7.971 -22.824 6.339 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -6.105 -21.001 6.743 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -5.176 -21.967 5.614 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -6.452 -20.262 4.322 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -7.127 -21.837 3.956 1.00 0.00 H new ATOM 0 HE ARG A 81 -8.321 -19.863 5.952 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -9.410 -21.268 3.122 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -10.781 -22.067 3.898 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -9.577 -21.463 7.070 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -10.867 -22.173 6.094 1.00 0.00 H new ATOM 1038 N VAL A 82 -4.723 -24.832 7.654 1.00 0.00 N ATOM 1039 CA VAL A 82 -3.333 -25.293 7.778 1.00 0.00 C ATOM 1040 C VAL A 82 -2.476 -24.790 6.622 1.00 0.00 C ATOM 1041 O VAL A 82 -2.869 -24.679 5.475 1.00 0.00 O ATOM 1042 CB VAL A 82 -3.260 -26.838 7.794 1.00 0.00 C ATOM 1043 CG1 VAL A 82 -1.873 -27.214 8.279 1.00 0.00 C ATOM 1044 CG2 VAL A 82 -4.202 -27.451 8.784 1.00 0.00 C ATOM 0 H VAL A 82 -5.383 -25.526 7.303 1.00 0.00 H new ATOM 0 HA VAL A 82 -2.953 -24.892 8.718 1.00 0.00 H new ATOM 0 HB VAL A 82 -3.506 -27.191 6.792 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -1.779 -28.300 8.305 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.126 -26.801 7.601 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -1.716 -26.812 9.280 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -4.108 -28.536 8.752 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.960 -27.095 9.785 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -5.225 -27.168 8.536 1.00 0.00 H new ATOM 1054 N GLY A 83 -1.283 -24.508 7.044 1.00 0.00 N ATOM 1055 CA GLY A 83 -0.189 -24.014 6.179 1.00 0.00 C ATOM 1056 C GLY A 83 0.330 -22.667 6.698 1.00 0.00 C ATOM 1057 O GLY A 83 -0.360 -21.879 7.340 1.00 0.00 O ATOM 1058 OXT GLY A 83 1.482 -22.457 6.397 1.00 0.00 O ATOM 0 H GLY A 83 -1.008 -24.608 8.021 1.00 0.00 H new ATOM 0 HA2 GLY A 83 0.623 -24.741 6.157 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -0.547 -23.904 5.155 1.00 0.00 H new TER 1062 GLY A 83