USER MOD reduce.3.24.130724 H: found=0, std=0, add=477, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 479 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 27 THR OG1 : rot -89:sc= 0.0895 USER MOD Set 1.2: A 30 GLN : amide:sc= 0.325 X(o=0.41,f=0.4) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot -134:sc= -0.327 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= -0.832 K(o=-0.83,f=-2!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot -81:sc= 0.683 USER MOD Single : A 67 SER OG : rot 150:sc= 0 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 45:sc= 0.126 USER MOD Single : A 74 SER OG : rot 87:sc= 0.527 USER MOD Single : A 81 ASN : amide:sc= 1.06 K(o=1.1,f=-0.0043) USER MOD Single : A 89 TYR OH : rot -58:sc= 0.729 USER MOD Single : A 90 LYS NZ :NH3+ -135:sc= 1.28 (180deg=0.0619) USER MOD ----------------------------------------------------------------- ATOM 19 N ALA A 22 1.460 -1.550 -4.513 1.00 0.00 N ATOM 20 CA ALA A 22 2.310 -2.605 -3.931 1.00 0.00 C ATOM 21 C ALA A 22 3.420 -3.003 -4.927 1.00 0.00 C ATOM 22 O ALA A 22 4.602 -2.725 -4.709 1.00 0.00 O ATOM 23 CB ALA A 22 1.441 -3.816 -3.531 1.00 0.00 C ATOM 0 HA ALA A 22 2.795 -2.228 -3.031 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.074 -4.592 -3.102 1.00 0.00 H new ATOM 0 HB2 ALA A 22 0.699 -3.505 -2.795 1.00 0.00 H new ATOM 0 HB3 ALA A 22 0.935 -4.208 -4.413 1.00 0.00 H new ATOM 29 N ALA A 23 3.012 -3.634 -6.033 1.00 0.00 N ATOM 30 CA ALA A 23 3.893 -3.945 -7.165 1.00 0.00 C ATOM 31 C ALA A 23 3.114 -3.708 -8.460 1.00 0.00 C ATOM 32 O ALA A 23 2.020 -4.257 -8.633 1.00 0.00 O ATOM 33 CB ALA A 23 4.411 -5.387 -7.081 1.00 0.00 C ATOM 0 H ALA A 23 2.051 -3.947 -6.169 1.00 0.00 H new ATOM 0 HA ALA A 23 4.768 -3.296 -7.142 1.00 0.00 H new ATOM 0 HB1 ALA A 23 5.061 -5.590 -7.932 1.00 0.00 H new ATOM 0 HB2 ALA A 23 4.972 -5.519 -6.156 1.00 0.00 H new ATOM 0 HB3 ALA A 23 3.568 -6.078 -7.095 1.00 0.00 H new ATOM 39 N THR A 24 3.666 -2.857 -9.328 1.00 0.00 N ATOM 40 CA THR A 24 3.051 -2.484 -10.604 1.00 0.00 C ATOM 41 C THR A 24 3.058 -3.678 -11.557 1.00 0.00 C ATOM 42 O THR A 24 4.116 -4.251 -11.796 1.00 0.00 O ATOM 43 CB THR A 24 3.837 -1.285 -11.238 1.00 0.00 C ATOM 44 OG1 THR A 24 3.861 -0.188 -10.312 1.00 0.00 O ATOM 45 CG2 THR A 24 3.232 -0.817 -12.575 1.00 0.00 C ATOM 0 H THR A 24 4.564 -2.402 -9.162 1.00 0.00 H new ATOM 0 HA THR A 24 2.019 -2.181 -10.429 1.00 0.00 H new ATOM 0 HB THR A 24 4.848 -1.634 -11.447 1.00 0.00 H new ATOM 0 HG1 THR A 24 4.354 0.562 -10.706 1.00 0.00 H new ATOM 0 HG21 THR A 24 3.817 0.015 -12.968 1.00 0.00 H new ATOM 0 HG22 THR A 24 3.247 -1.640 -13.289 1.00 0.00 H new ATOM 0 HG23 THR A 24 2.203 -0.494 -12.416 1.00 0.00 H new ATOM 53 N GLU A 25 1.886 -4.085 -12.077 1.00 0.00 N ATOM 54 CA GLU A 25 1.855 -5.118 -13.113 1.00 0.00 C ATOM 55 C GLU A 25 2.441 -4.520 -14.397 1.00 0.00 C ATOM 56 O GLU A 25 1.916 -3.543 -14.947 1.00 0.00 O ATOM 57 CB GLU A 25 0.442 -5.684 -13.368 1.00 0.00 C ATOM 58 CG GLU A 25 0.441 -6.935 -14.273 1.00 0.00 C ATOM 59 CD GLU A 25 -0.955 -7.529 -14.487 1.00 0.00 C ATOM 60 OE1 GLU A 25 -1.474 -8.199 -13.565 1.00 0.00 O ATOM 61 OE2 GLU A 25 -1.540 -7.339 -15.579 1.00 0.00 O ATOM 0 H GLU A 25 0.973 -3.722 -11.802 1.00 0.00 H new ATOM 0 HA GLU A 25 2.450 -5.965 -12.771 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -0.020 -5.934 -12.413 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -0.174 -4.911 -13.827 1.00 0.00 H new ATOM 0 HG2 GLU A 25 0.869 -6.675 -15.241 1.00 0.00 H new ATOM 0 HG3 GLU A 25 1.087 -7.694 -13.832 1.00 0.00 H new ATOM 68 N LEU A 26 3.556 -5.097 -14.815 1.00 0.00 N ATOM 69 CA LEU A 26 4.318 -4.686 -15.980 1.00 0.00 C ATOM 70 C LEU A 26 3.575 -5.130 -17.253 1.00 0.00 C ATOM 71 O LEU A 26 2.926 -6.183 -17.255 1.00 0.00 O ATOM 72 CB LEU A 26 5.743 -5.317 -15.905 1.00 0.00 C ATOM 73 CG LEU A 26 6.834 -4.618 -16.761 1.00 0.00 C ATOM 74 CD1 LEU A 26 7.067 -3.164 -16.285 1.00 0.00 C ATOM 75 CD2 LEU A 26 8.150 -5.426 -16.758 1.00 0.00 C ATOM 0 H LEU A 26 3.970 -5.895 -14.333 1.00 0.00 H new ATOM 0 HA LEU A 26 4.423 -3.601 -16.006 1.00 0.00 H new ATOM 0 HB2 LEU A 26 6.067 -5.315 -14.864 1.00 0.00 H new ATOM 0 HB3 LEU A 26 5.676 -6.360 -16.216 1.00 0.00 H new ATOM 0 HG LEU A 26 6.475 -4.578 -17.789 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.836 -2.698 -16.902 1.00 0.00 H new ATOM 0 HD12 LEU A 26 6.139 -2.599 -16.374 1.00 0.00 H new ATOM 0 HD13 LEU A 26 7.391 -3.169 -15.244 1.00 0.00 H new ATOM 0 HD21 LEU A 26 8.894 -4.911 -17.366 1.00 0.00 H new ATOM 0 HD22 LEU A 26 8.517 -5.519 -15.736 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.968 -6.419 -17.170 1.00 0.00 H new ATOM 87 N THR A 27 3.651 -4.313 -18.309 1.00 0.00 N ATOM 88 CA THR A 27 3.032 -4.620 -19.600 1.00 0.00 C ATOM 89 C THR A 27 3.835 -5.725 -20.324 1.00 0.00 C ATOM 90 O THR A 27 5.037 -5.854 -20.074 1.00 0.00 O ATOM 91 CB THR A 27 2.954 -3.340 -20.490 1.00 0.00 C ATOM 92 OG1 THR A 27 4.276 -2.860 -20.783 1.00 0.00 O ATOM 93 CG2 THR A 27 2.140 -2.220 -19.815 1.00 0.00 C ATOM 0 H THR A 27 4.144 -3.420 -18.291 1.00 0.00 H new ATOM 0 HA THR A 27 2.018 -4.978 -19.422 1.00 0.00 H new ATOM 0 HB THR A 27 2.447 -3.617 -21.414 1.00 0.00 H new ATOM 0 HG1 THR A 27 4.562 -2.240 -20.080 1.00 0.00 H new ATOM 0 HG21 THR A 27 2.111 -1.348 -20.468 1.00 0.00 H new ATOM 0 HG22 THR A 27 1.124 -2.569 -19.630 1.00 0.00 H new ATOM 0 HG23 THR A 27 2.608 -1.949 -18.869 1.00 0.00 H new ATOM 101 N PRO A 28 3.175 -6.548 -21.211 1.00 0.00 N ATOM 102 CA PRO A 28 3.854 -7.581 -22.040 1.00 0.00 C ATOM 103 C PRO A 28 5.059 -7.038 -22.836 1.00 0.00 C ATOM 104 O PRO A 28 6.045 -7.748 -23.057 1.00 0.00 O ATOM 105 CB PRO A 28 2.738 -8.061 -23.001 1.00 0.00 C ATOM 106 CG PRO A 28 1.465 -7.812 -22.258 1.00 0.00 C ATOM 107 CD PRO A 28 1.702 -6.557 -21.441 1.00 0.00 C ATOM 0 HA PRO A 28 4.278 -8.370 -21.419 1.00 0.00 H new ATOM 0 HB2 PRO A 28 2.762 -7.511 -23.942 1.00 0.00 H new ATOM 0 HB3 PRO A 28 2.853 -9.117 -23.246 1.00 0.00 H new ATOM 0 HG2 PRO A 28 0.630 -7.679 -22.946 1.00 0.00 H new ATOM 0 HG3 PRO A 28 1.216 -8.656 -21.615 1.00 0.00 H new ATOM 0 HD2 PRO A 28 1.376 -5.665 -21.976 1.00 0.00 H new ATOM 0 HD3 PRO A 28 1.151 -6.583 -20.501 1.00 0.00 H new ATOM 115 N GLU A 29 4.947 -5.767 -23.241 1.00 0.00 N ATOM 116 CA GLU A 29 5.961 -5.067 -24.040 1.00 0.00 C ATOM 117 C GLU A 29 7.247 -4.878 -23.220 1.00 0.00 C ATOM 118 O GLU A 29 8.342 -5.257 -23.652 1.00 0.00 O ATOM 119 CB GLU A 29 5.417 -3.682 -24.523 1.00 0.00 C ATOM 120 CG GLU A 29 4.219 -3.731 -25.513 1.00 0.00 C ATOM 121 CD GLU A 29 2.938 -4.382 -24.945 1.00 0.00 C ATOM 122 OE1 GLU A 29 2.415 -3.886 -23.926 1.00 0.00 O ATOM 123 OE2 GLU A 29 2.488 -5.422 -25.479 1.00 0.00 O ATOM 0 H GLU A 29 4.138 -5.187 -23.020 1.00 0.00 H new ATOM 0 HA GLU A 29 6.191 -5.673 -24.916 1.00 0.00 H new ATOM 0 HB2 GLU A 29 5.117 -3.106 -23.648 1.00 0.00 H new ATOM 0 HB3 GLU A 29 6.234 -3.138 -24.998 1.00 0.00 H new ATOM 0 HG2 GLU A 29 3.984 -2.714 -25.829 1.00 0.00 H new ATOM 0 HG3 GLU A 29 4.524 -4.279 -26.404 1.00 0.00 H new ATOM 130 N GLN A 30 7.087 -4.296 -22.021 1.00 0.00 N ATOM 131 CA GLN A 30 8.205 -4.032 -21.097 1.00 0.00 C ATOM 132 C GLN A 30 8.758 -5.343 -20.503 1.00 0.00 C ATOM 133 O GLN A 30 9.948 -5.447 -20.229 1.00 0.00 O ATOM 134 CB GLN A 30 7.742 -3.096 -19.959 1.00 0.00 C ATOM 135 CG GLN A 30 7.238 -1.715 -20.411 1.00 0.00 C ATOM 136 CD GLN A 30 6.752 -0.862 -19.237 1.00 0.00 C ATOM 137 OE1 GLN A 30 5.580 -0.901 -18.860 1.00 0.00 O ATOM 138 NE2 GLN A 30 7.656 -0.092 -18.646 1.00 0.00 N ATOM 0 H GLN A 30 6.180 -3.995 -21.664 1.00 0.00 H new ATOM 0 HA GLN A 30 9.003 -3.549 -21.662 1.00 0.00 H new ATOM 0 HB2 GLN A 30 6.946 -3.592 -19.404 1.00 0.00 H new ATOM 0 HB3 GLN A 30 8.572 -2.953 -19.267 1.00 0.00 H new ATOM 0 HG2 GLN A 30 8.039 -1.190 -20.931 1.00 0.00 H new ATOM 0 HG3 GLN A 30 6.425 -1.843 -21.125 1.00 0.00 H new ATOM 0 HE21 GLN A 30 8.618 -0.084 -18.984 1.00 0.00 H new ATOM 0 HE22 GLN A 30 7.389 0.492 -17.854 1.00 0.00 H new ATOM 147 N ALA A 31 7.869 -6.333 -20.319 1.00 0.00 N ATOM 148 CA ALA A 31 8.215 -7.664 -19.770 1.00 0.00 C ATOM 149 C ALA A 31 9.051 -8.480 -20.775 1.00 0.00 C ATOM 150 O ALA A 31 9.877 -9.317 -20.385 1.00 0.00 O ATOM 151 CB ALA A 31 6.934 -8.421 -19.378 1.00 0.00 C ATOM 0 H ALA A 31 6.880 -6.236 -20.548 1.00 0.00 H new ATOM 0 HA ALA A 31 8.824 -7.521 -18.877 1.00 0.00 H new ATOM 0 HB1 ALA A 31 7.198 -9.399 -18.975 1.00 0.00 H new ATOM 0 HB2 ALA A 31 6.392 -7.852 -18.623 1.00 0.00 H new ATOM 0 HB3 ALA A 31 6.304 -8.549 -20.258 1.00 0.00 H new ATOM 157 N ALA A 32 8.823 -8.213 -22.069 1.00 0.00 N ATOM 158 CA ALA A 32 9.574 -8.834 -23.169 1.00 0.00 C ATOM 159 C ALA A 32 11.014 -8.281 -23.247 1.00 0.00 C ATOM 160 O ALA A 32 11.935 -8.990 -23.651 1.00 0.00 O ATOM 161 CB ALA A 32 8.833 -8.607 -24.496 1.00 0.00 C ATOM 0 H ALA A 32 8.108 -7.557 -22.383 1.00 0.00 H new ATOM 0 HA ALA A 32 9.644 -9.905 -22.978 1.00 0.00 H new ATOM 0 HB1 ALA A 32 9.393 -9.069 -25.309 1.00 0.00 H new ATOM 0 HB2 ALA A 32 7.840 -9.054 -24.439 1.00 0.00 H new ATOM 0 HB3 ALA A 32 8.739 -7.537 -24.682 1.00 0.00 H new ATOM 167 N ALA A 33 11.186 -7.005 -22.855 1.00 0.00 N ATOM 168 CA ALA A 33 12.493 -6.318 -22.890 1.00 0.00 C ATOM 169 C ALA A 33 13.310 -6.619 -21.622 1.00 0.00 C ATOM 170 O ALA A 33 14.487 -6.976 -21.700 1.00 0.00 O ATOM 171 CB ALA A 33 12.288 -4.807 -23.052 1.00 0.00 C ATOM 0 H ALA A 33 10.426 -6.421 -22.506 1.00 0.00 H new ATOM 0 HA ALA A 33 13.055 -6.692 -23.746 1.00 0.00 H new ATOM 0 HB1 ALA A 33 13.257 -4.309 -23.077 1.00 0.00 H new ATOM 0 HB2 ALA A 33 11.755 -4.610 -23.982 1.00 0.00 H new ATOM 0 HB3 ALA A 33 11.706 -4.427 -22.212 1.00 0.00 H new ATOM 177 N LEU A 34 12.659 -6.480 -20.463 1.00 0.00 N ATOM 178 CA LEU A 34 13.287 -6.668 -19.144 1.00 0.00 C ATOM 179 C LEU A 34 13.367 -8.165 -18.780 1.00 0.00 C ATOM 180 O LEU A 34 12.830 -9.021 -19.498 1.00 0.00 O ATOM 181 CB LEU A 34 12.489 -5.878 -18.063 1.00 0.00 C ATOM 182 CG LEU A 34 12.410 -4.323 -18.252 1.00 0.00 C ATOM 183 CD1 LEU A 34 11.521 -3.664 -17.168 1.00 0.00 C ATOM 184 CD2 LEU A 34 13.820 -3.689 -18.272 1.00 0.00 C ATOM 0 H LEU A 34 11.671 -6.231 -20.410 1.00 0.00 H new ATOM 0 HA LEU A 34 14.306 -6.282 -19.183 1.00 0.00 H new ATOM 0 HB2 LEU A 34 11.473 -6.271 -18.034 1.00 0.00 H new ATOM 0 HB3 LEU A 34 12.937 -6.082 -17.091 1.00 0.00 H new ATOM 0 HG LEU A 34 11.944 -4.136 -19.220 1.00 0.00 H new ATOM 0 HD11 LEU A 34 11.489 -2.587 -17.330 1.00 0.00 H new ATOM 0 HD12 LEU A 34 10.511 -4.070 -17.229 1.00 0.00 H new ATOM 0 HD13 LEU A 34 11.936 -3.871 -16.182 1.00 0.00 H new ATOM 0 HD21 LEU A 34 13.732 -2.611 -18.404 1.00 0.00 H new ATOM 0 HD22 LEU A 34 14.327 -3.899 -17.330 1.00 0.00 H new ATOM 0 HD23 LEU A 34 14.397 -4.110 -19.096 1.00 0.00 H new ATOM 196 N LYS A 35 14.052 -8.465 -17.667 1.00 0.00 N ATOM 197 CA LYS A 35 14.214 -9.832 -17.150 1.00 0.00 C ATOM 198 C LYS A 35 13.908 -9.835 -15.634 1.00 0.00 C ATOM 199 O LYS A 35 14.408 -8.957 -14.915 1.00 0.00 O ATOM 200 CB LYS A 35 15.658 -10.353 -17.437 1.00 0.00 C ATOM 201 CG LYS A 35 15.824 -11.893 -17.379 1.00 0.00 C ATOM 202 CD LYS A 35 14.920 -12.638 -18.403 1.00 0.00 C ATOM 203 CE LYS A 35 15.160 -12.206 -19.862 1.00 0.00 C ATOM 204 NZ LYS A 35 14.158 -12.785 -20.792 1.00 0.00 N ATOM 0 H LYS A 35 14.514 -7.758 -17.095 1.00 0.00 H new ATOM 0 HA LYS A 35 13.517 -10.503 -17.653 1.00 0.00 H new ATOM 0 HB2 LYS A 35 15.963 -10.007 -18.425 1.00 0.00 H new ATOM 0 HB3 LYS A 35 16.340 -9.902 -16.717 1.00 0.00 H new ATOM 0 HG2 LYS A 35 16.866 -12.148 -17.569 1.00 0.00 H new ATOM 0 HG3 LYS A 35 15.589 -12.241 -16.373 1.00 0.00 H new ATOM 0 HD2 LYS A 35 15.094 -13.711 -18.317 1.00 0.00 H new ATOM 0 HD3 LYS A 35 13.875 -12.463 -18.148 1.00 0.00 H new ATOM 0 HE2 LYS A 35 15.127 -11.118 -19.927 1.00 0.00 H new ATOM 0 HE3 LYS A 35 16.159 -12.514 -20.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 14.360 -12.467 -21.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 14.206 -13.823 -20.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 13.206 -12.471 -20.516 1.00 0.00 H new ATOM 218 N PRO A 36 13.064 -10.790 -15.118 1.00 0.00 N ATOM 219 CA PRO A 36 12.793 -10.915 -13.668 1.00 0.00 C ATOM 220 C PRO A 36 14.033 -11.412 -12.904 1.00 0.00 C ATOM 221 O PRO A 36 14.865 -12.139 -13.464 1.00 0.00 O ATOM 222 CB PRO A 36 11.654 -11.960 -13.616 1.00 0.00 C ATOM 223 CG PRO A 36 11.890 -12.800 -14.827 1.00 0.00 C ATOM 224 CD PRO A 36 12.311 -11.818 -15.891 1.00 0.00 C ATOM 0 HA PRO A 36 12.531 -9.966 -13.201 1.00 0.00 H new ATOM 0 HB2 PRO A 36 11.696 -12.553 -12.703 1.00 0.00 H new ATOM 0 HB3 PRO A 36 10.673 -11.485 -13.643 1.00 0.00 H new ATOM 0 HG2 PRO A 36 12.663 -13.547 -14.648 1.00 0.00 H new ATOM 0 HG3 PRO A 36 10.988 -13.339 -15.118 1.00 0.00 H new ATOM 0 HD2 PRO A 36 12.935 -12.289 -16.651 1.00 0.00 H new ATOM 0 HD3 PRO A 36 11.452 -11.387 -16.406 1.00 0.00 H new ATOM 232 N TYR A 37 14.147 -11.017 -11.630 1.00 0.00 N ATOM 233 CA TYR A 37 15.224 -11.500 -10.738 1.00 0.00 C ATOM 234 C TYR A 37 14.814 -12.827 -10.073 1.00 0.00 C ATOM 235 O TYR A 37 15.667 -13.594 -9.602 1.00 0.00 O ATOM 236 CB TYR A 37 15.594 -10.424 -9.670 1.00 0.00 C ATOM 237 CG TYR A 37 14.490 -10.083 -8.640 1.00 0.00 C ATOM 238 CD1 TYR A 37 13.448 -9.211 -8.964 1.00 0.00 C ATOM 239 CD2 TYR A 37 14.503 -10.617 -7.345 1.00 0.00 C ATOM 240 CE1 TYR A 37 12.473 -8.887 -8.044 1.00 0.00 C ATOM 241 CE2 TYR A 37 13.525 -10.296 -6.427 1.00 0.00 C ATOM 242 CZ TYR A 37 12.517 -9.433 -6.780 1.00 0.00 C ATOM 243 OH TYR A 37 11.553 -9.102 -5.862 1.00 0.00 O ATOM 0 H TYR A 37 13.505 -10.360 -11.186 1.00 0.00 H new ATOM 0 HA TYR A 37 16.114 -11.681 -11.341 1.00 0.00 H new ATOM 0 HB2 TYR A 37 16.475 -10.767 -9.128 1.00 0.00 H new ATOM 0 HB3 TYR A 37 15.875 -9.507 -10.189 1.00 0.00 H new ATOM 0 HD1 TYR A 37 13.405 -8.782 -9.954 1.00 0.00 H new ATOM 0 HD2 TYR A 37 15.295 -11.294 -7.060 1.00 0.00 H new ATOM 0 HE1 TYR A 37 11.678 -8.208 -8.314 1.00 0.00 H new ATOM 0 HE2 TYR A 37 13.552 -10.722 -5.435 1.00 0.00 H new ATOM 0 HH TYR A 37 11.976 -8.900 -5.002 1.00 0.00 H new ATOM 253 N ASP A 38 13.495 -13.081 -10.066 1.00 0.00 N ATOM 254 CA ASP A 38 12.878 -14.244 -9.424 1.00 0.00 C ATOM 255 C ASP A 38 11.455 -14.441 -9.994 1.00 0.00 C ATOM 256 O ASP A 38 10.957 -13.579 -10.730 1.00 0.00 O ATOM 257 CB ASP A 38 12.849 -14.022 -7.884 1.00 0.00 C ATOM 258 CG ASP A 38 12.365 -15.250 -7.090 1.00 0.00 C ATOM 259 OD1 ASP A 38 13.149 -16.209 -6.924 1.00 0.00 O ATOM 260 OD2 ASP A 38 11.200 -15.269 -6.648 1.00 0.00 O ATOM 0 H ASP A 38 12.817 -12.467 -10.518 1.00 0.00 H new ATOM 0 HA ASP A 38 13.455 -15.146 -9.627 1.00 0.00 H new ATOM 0 HB2 ASP A 38 13.850 -13.753 -7.546 1.00 0.00 H new ATOM 0 HB3 ASP A 38 12.199 -13.176 -7.660 1.00 0.00 H new ATOM 265 N ARG A 39 10.827 -15.588 -9.684 1.00 0.00 N ATOM 266 CA ARG A 39 9.435 -15.905 -10.045 1.00 0.00 C ATOM 267 C ARG A 39 8.713 -16.432 -8.804 1.00 0.00 C ATOM 268 O ARG A 39 9.152 -17.420 -8.206 1.00 0.00 O ATOM 269 CB ARG A 39 9.412 -16.973 -11.171 1.00 0.00 C ATOM 270 CG ARG A 39 10.079 -16.516 -12.482 1.00 0.00 C ATOM 271 CD ARG A 39 10.264 -17.645 -13.492 1.00 0.00 C ATOM 272 NE ARG A 39 11.252 -18.635 -13.029 1.00 0.00 N ATOM 273 CZ ARG A 39 11.584 -19.739 -13.694 1.00 0.00 C ATOM 274 NH1 ARG A 39 10.958 -20.089 -14.814 1.00 0.00 N ATOM 275 NH2 ARG A 39 12.542 -20.513 -13.225 1.00 0.00 N ATOM 0 H ARG A 39 11.284 -16.337 -9.164 1.00 0.00 H new ATOM 0 HA ARG A 39 8.932 -15.009 -10.408 1.00 0.00 H new ATOM 0 HB2 ARG A 39 9.914 -17.873 -10.815 1.00 0.00 H new ATOM 0 HB3 ARG A 39 8.377 -17.246 -11.378 1.00 0.00 H new ATOM 0 HG2 ARG A 39 9.475 -15.729 -12.934 1.00 0.00 H new ATOM 0 HG3 ARG A 39 11.051 -16.079 -12.254 1.00 0.00 H new ATOM 0 HD2 ARG A 39 9.308 -18.139 -13.665 1.00 0.00 H new ATOM 0 HD3 ARG A 39 10.585 -17.230 -14.447 1.00 0.00 H new ATOM 0 HE ARG A 39 11.714 -18.462 -12.136 1.00 0.00 H new ATOM 0 HH11 ARG A 39 10.205 -19.506 -15.181 1.00 0.00 H new ATOM 0 HH12 ARG A 39 11.230 -20.940 -15.306 1.00 0.00 H new ATOM 0 HH21 ARG A 39 13.021 -20.264 -12.360 1.00 0.00 H new ATOM 0 HH22 ARG A 39 12.804 -21.361 -13.727 1.00 0.00 H new ATOM 289 N ILE A 40 7.619 -15.764 -8.412 1.00 0.00 N ATOM 290 CA ILE A 40 6.790 -16.173 -7.268 1.00 0.00 C ATOM 291 C ILE A 40 5.585 -17.001 -7.754 1.00 0.00 C ATOM 292 O ILE A 40 5.040 -16.755 -8.837 1.00 0.00 O ATOM 293 CB ILE A 40 6.304 -14.925 -6.425 1.00 0.00 C ATOM 294 CG1 ILE A 40 5.451 -13.934 -7.291 1.00 0.00 C ATOM 295 CG2 ILE A 40 7.515 -14.198 -5.783 1.00 0.00 C ATOM 296 CD1 ILE A 40 4.958 -12.693 -6.561 1.00 0.00 C ATOM 0 H ILE A 40 7.283 -14.923 -8.880 1.00 0.00 H new ATOM 0 HA ILE A 40 7.404 -16.791 -6.613 1.00 0.00 H new ATOM 0 HB ILE A 40 5.659 -15.295 -5.628 1.00 0.00 H new ATOM 0 HG12 ILE A 40 6.048 -13.619 -8.147 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.588 -14.471 -7.684 1.00 0.00 H new ATOM 0 HG21 ILE A 40 7.162 -13.342 -5.207 1.00 0.00 H new ATOM 0 HG22 ILE A 40 8.045 -14.886 -5.124 1.00 0.00 H new ATOM 0 HG23 ILE A 40 8.190 -13.854 -6.567 1.00 0.00 H new ATOM 0 HD11 ILE A 40 4.379 -12.074 -7.246 1.00 0.00 H new ATOM 0 HD12 ILE A 40 4.329 -12.990 -5.722 1.00 0.00 H new ATOM 0 HD13 ILE A 40 5.812 -12.125 -6.192 1.00 0.00 H new ATOM 308 N VAL A 41 5.205 -18.002 -6.952 1.00 0.00 N ATOM 309 CA VAL A 41 4.030 -18.846 -7.205 1.00 0.00 C ATOM 310 C VAL A 41 3.074 -18.761 -6.003 1.00 0.00 C ATOM 311 O VAL A 41 3.508 -18.810 -4.845 1.00 0.00 O ATOM 312 CB VAL A 41 4.434 -20.344 -7.509 1.00 0.00 C ATOM 313 CG1 VAL A 41 5.280 -20.980 -6.375 1.00 0.00 C ATOM 314 CG2 VAL A 41 3.189 -21.208 -7.829 1.00 0.00 C ATOM 0 H VAL A 41 5.709 -18.252 -6.101 1.00 0.00 H new ATOM 0 HA VAL A 41 3.522 -18.475 -8.095 1.00 0.00 H new ATOM 0 HB VAL A 41 5.069 -20.319 -8.395 1.00 0.00 H new ATOM 0 HG11 VAL A 41 5.528 -22.008 -6.639 1.00 0.00 H new ATOM 0 HG12 VAL A 41 6.198 -20.408 -6.242 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.709 -20.971 -5.446 1.00 0.00 H new ATOM 0 HG21 VAL A 41 3.500 -22.232 -8.034 1.00 0.00 H new ATOM 0 HG22 VAL A 41 2.510 -21.198 -6.976 1.00 0.00 H new ATOM 0 HG23 VAL A 41 2.679 -20.802 -8.703 1.00 0.00 H new ATOM 324 N ILE A 42 1.776 -18.577 -6.293 1.00 0.00 N ATOM 325 CA ILE A 42 0.705 -18.570 -5.284 1.00 0.00 C ATOM 326 C ILE A 42 -0.378 -19.582 -5.698 1.00 0.00 C ATOM 327 O ILE A 42 -0.518 -19.896 -6.885 1.00 0.00 O ATOM 328 CB ILE A 42 0.061 -17.134 -5.101 1.00 0.00 C ATOM 329 CG1 ILE A 42 -0.674 -16.669 -6.401 1.00 0.00 C ATOM 330 CG2 ILE A 42 1.131 -16.096 -4.664 1.00 0.00 C ATOM 331 CD1 ILE A 42 -1.482 -15.391 -6.261 1.00 0.00 C ATOM 0 H ILE A 42 1.438 -18.428 -7.244 1.00 0.00 H new ATOM 0 HA ILE A 42 1.142 -18.849 -4.325 1.00 0.00 H new ATOM 0 HB ILE A 42 -0.684 -17.204 -4.308 1.00 0.00 H new ATOM 0 HG12 ILE A 42 0.067 -16.528 -7.188 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -1.340 -17.467 -6.729 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.663 -15.119 -4.545 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.572 -16.405 -3.716 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.910 -16.035 -5.424 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.953 -15.152 -7.215 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.251 -15.528 -5.501 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.823 -14.574 -5.967 1.00 0.00 H new ATOM 343 N THR A 43 -1.116 -20.106 -4.712 1.00 0.00 N ATOM 344 CA THR A 43 -2.276 -20.990 -4.936 1.00 0.00 C ATOM 345 C THR A 43 -3.519 -20.358 -4.296 1.00 0.00 C ATOM 346 O THR A 43 -3.411 -19.639 -3.290 1.00 0.00 O ATOM 347 CB THR A 43 -2.031 -22.420 -4.341 1.00 0.00 C ATOM 348 OG1 THR A 43 -1.650 -22.311 -2.960 1.00 0.00 O ATOM 349 CG2 THR A 43 -0.943 -23.199 -5.111 1.00 0.00 C ATOM 0 H THR A 43 -0.926 -19.929 -3.725 1.00 0.00 H new ATOM 0 HA THR A 43 -2.426 -21.102 -6.010 1.00 0.00 H new ATOM 0 HB THR A 43 -2.965 -22.974 -4.436 1.00 0.00 H new ATOM 0 HG1 THR A 43 -1.499 -23.206 -2.591 1.00 0.00 H new ATOM 0 HG21 THR A 43 -0.811 -24.182 -4.660 1.00 0.00 H new ATOM 0 HG22 THR A 43 -1.246 -23.315 -6.152 1.00 0.00 H new ATOM 0 HG23 THR A 43 -0.002 -22.650 -5.066 1.00 0.00 H new ATOM 357 N GLY A 44 -4.690 -20.634 -4.881 1.00 0.00 N ATOM 358 CA GLY A 44 -5.955 -20.065 -4.432 1.00 0.00 C ATOM 359 C GLY A 44 -7.143 -20.885 -4.920 1.00 0.00 C ATOM 360 O GLY A 44 -7.369 -21.001 -6.135 1.00 0.00 O ATOM 0 H GLY A 44 -4.782 -21.260 -5.681 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -5.967 -20.018 -3.343 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -6.044 -19.042 -4.796 1.00 0.00 H new ATOM 364 N ARG A 45 -7.894 -21.470 -3.971 1.00 0.00 N ATOM 365 CA ARG A 45 -9.125 -22.221 -4.254 1.00 0.00 C ATOM 366 C ARG A 45 -10.327 -21.264 -4.245 1.00 0.00 C ATOM 367 O ARG A 45 -10.583 -20.606 -3.228 1.00 0.00 O ATOM 368 CB ARG A 45 -9.328 -23.347 -3.206 1.00 0.00 C ATOM 369 CG ARG A 45 -10.596 -24.213 -3.421 1.00 0.00 C ATOM 370 CD ARG A 45 -10.803 -25.255 -2.303 1.00 0.00 C ATOM 371 NE ARG A 45 -10.964 -24.630 -0.966 1.00 0.00 N ATOM 372 CZ ARG A 45 -10.120 -24.760 0.076 1.00 0.00 C ATOM 373 NH1 ARG A 45 -8.974 -25.427 -0.044 1.00 0.00 N ATOM 374 NH2 ARG A 45 -10.425 -24.205 1.241 1.00 0.00 N ATOM 0 H ARG A 45 -7.660 -21.433 -2.979 1.00 0.00 H new ATOM 0 HA ARG A 45 -9.040 -22.681 -5.239 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -8.454 -23.998 -3.219 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -9.376 -22.897 -2.214 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -11.470 -23.564 -3.473 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -10.522 -24.725 -4.380 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -11.685 -25.855 -2.529 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -9.951 -25.935 -2.282 1.00 0.00 H new ATOM 0 HE ARG A 45 -11.790 -24.049 -0.823 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -8.722 -25.851 -0.937 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -8.348 -25.514 0.757 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -11.295 -23.683 1.345 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -9.790 -24.300 2.033 1.00 0.00 H new ATOM 388 N PHE A 46 -11.029 -21.189 -5.396 1.00 0.00 N ATOM 389 CA PHE A 46 -12.272 -20.416 -5.573 1.00 0.00 C ATOM 390 C PHE A 46 -12.043 -18.918 -5.272 1.00 0.00 C ATOM 391 O PHE A 46 -12.299 -18.442 -4.154 1.00 0.00 O ATOM 392 CB PHE A 46 -13.425 -21.021 -4.712 1.00 0.00 C ATOM 393 CG PHE A 46 -14.798 -20.378 -4.921 1.00 0.00 C ATOM 394 CD1 PHE A 46 -15.558 -20.666 -6.054 1.00 0.00 C ATOM 395 CD2 PHE A 46 -15.330 -19.481 -3.986 1.00 0.00 C ATOM 396 CE1 PHE A 46 -16.798 -20.082 -6.243 1.00 0.00 C ATOM 397 CE2 PHE A 46 -16.571 -18.900 -4.182 1.00 0.00 C ATOM 398 CZ PHE A 46 -17.303 -19.203 -5.309 1.00 0.00 C ATOM 0 H PHE A 46 -10.739 -21.675 -6.245 1.00 0.00 H new ATOM 0 HA PHE A 46 -12.577 -20.486 -6.617 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -13.502 -22.086 -4.933 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -13.156 -20.933 -3.659 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -15.174 -21.353 -6.793 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -14.763 -19.239 -3.099 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -17.373 -20.316 -7.127 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -16.965 -18.209 -3.451 1.00 0.00 H new ATOM 0 HZ PHE A 46 -18.272 -18.752 -5.461 1.00 0.00 H new ATOM 408 N ASN A 47 -11.510 -18.198 -6.264 1.00 0.00 N ATOM 409 CA ASN A 47 -11.203 -16.763 -6.139 1.00 0.00 C ATOM 410 C ASN A 47 -11.237 -16.108 -7.523 1.00 0.00 C ATOM 411 O ASN A 47 -11.065 -16.789 -8.543 1.00 0.00 O ATOM 412 CB ASN A 47 -9.831 -16.540 -5.438 1.00 0.00 C ATOM 413 CG ASN A 47 -8.619 -16.963 -6.270 1.00 0.00 C ATOM 414 OD1 ASN A 47 -7.967 -16.145 -6.915 1.00 0.00 O ATOM 415 ND2 ASN A 47 -8.338 -18.259 -6.294 1.00 0.00 N ATOM 0 H ASN A 47 -11.278 -18.590 -7.177 1.00 0.00 H new ATOM 0 HA ASN A 47 -11.961 -16.293 -5.512 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -9.733 -15.484 -5.187 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -9.823 -17.093 -4.499 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -7.561 -18.602 -6.859 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -8.899 -18.913 -5.747 1.00 0.00 H new ATOM 422 N ALA A 48 -11.472 -14.790 -7.533 1.00 0.00 N ATOM 423 CA ALA A 48 -11.490 -13.976 -8.753 1.00 0.00 C ATOM 424 C ALA A 48 -10.060 -13.756 -9.263 1.00 0.00 C ATOM 425 O ALA A 48 -9.099 -13.807 -8.481 1.00 0.00 O ATOM 426 CB ALA A 48 -12.179 -12.632 -8.468 1.00 0.00 C ATOM 0 H ALA A 48 -11.657 -14.254 -6.685 1.00 0.00 H new ATOM 0 HA ALA A 48 -12.051 -14.499 -9.527 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -12.191 -12.029 -9.376 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -13.202 -12.811 -8.138 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -11.633 -12.102 -7.688 1.00 0.00 H new ATOM 432 N ILE A 49 -9.923 -13.525 -10.581 1.00 0.00 N ATOM 433 CA ILE A 49 -8.621 -13.206 -11.202 1.00 0.00 C ATOM 434 C ILE A 49 -8.041 -11.918 -10.582 1.00 0.00 C ATOM 435 O ILE A 49 -6.857 -11.876 -10.260 1.00 0.00 O ATOM 436 CB ILE A 49 -8.711 -13.099 -12.779 1.00 0.00 C ATOM 437 CG1 ILE A 49 -7.342 -12.668 -13.428 1.00 0.00 C ATOM 438 CG2 ILE A 49 -9.856 -12.159 -13.225 1.00 0.00 C ATOM 439 CD1 ILE A 49 -6.167 -13.609 -13.172 1.00 0.00 C ATOM 0 H ILE A 49 -10.701 -13.553 -11.241 1.00 0.00 H new ATOM 0 HA ILE A 49 -7.943 -14.034 -10.992 1.00 0.00 H new ATOM 0 HB ILE A 49 -8.940 -14.101 -13.143 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -7.483 -12.577 -14.505 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -7.079 -11.678 -13.056 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -9.885 -12.112 -14.314 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -10.806 -12.541 -12.853 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -9.684 -11.160 -12.823 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -5.275 -13.219 -13.663 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -5.988 -13.684 -12.099 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -6.398 -14.597 -13.571 1.00 0.00 H new ATOM 451 N GLY A 50 -8.906 -10.906 -10.360 1.00 0.00 N ATOM 452 CA GLY A 50 -8.497 -9.649 -9.713 1.00 0.00 C ATOM 453 C GLY A 50 -8.044 -9.833 -8.262 1.00 0.00 C ATOM 454 O GLY A 50 -7.169 -9.107 -7.779 1.00 0.00 O ATOM 0 H GLY A 50 -9.892 -10.938 -10.621 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -7.685 -9.201 -10.286 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -9.330 -8.947 -9.740 1.00 0.00 H new ATOM 458 N ASP A 51 -8.642 -10.830 -7.581 1.00 0.00 N ATOM 459 CA ASP A 51 -8.312 -11.183 -6.181 1.00 0.00 C ATOM 460 C ASP A 51 -6.944 -11.887 -6.117 1.00 0.00 C ATOM 461 O ASP A 51 -6.166 -11.690 -5.170 1.00 0.00 O ATOM 462 CB ASP A 51 -9.425 -12.089 -5.587 1.00 0.00 C ATOM 463 CG ASP A 51 -9.186 -12.479 -4.112 1.00 0.00 C ATOM 464 OD1 ASP A 51 -9.242 -11.591 -3.231 1.00 0.00 O ATOM 465 OD2 ASP A 51 -8.973 -13.674 -3.820 1.00 0.00 O ATOM 0 H ASP A 51 -9.371 -11.417 -7.986 1.00 0.00 H new ATOM 0 HA ASP A 51 -8.254 -10.270 -5.588 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -10.382 -11.574 -5.667 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -9.501 -12.997 -6.186 1.00 0.00 H new ATOM 470 N ALA A 52 -6.659 -12.703 -7.150 1.00 0.00 N ATOM 471 CA ALA A 52 -5.362 -13.383 -7.311 1.00 0.00 C ATOM 472 C ALA A 52 -4.252 -12.373 -7.647 1.00 0.00 C ATOM 473 O ALA A 52 -3.122 -12.495 -7.160 1.00 0.00 O ATOM 474 CB ALA A 52 -5.450 -14.454 -8.403 1.00 0.00 C ATOM 0 H ALA A 52 -7.323 -12.909 -7.896 1.00 0.00 H new ATOM 0 HA ALA A 52 -5.114 -13.865 -6.366 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -4.483 -14.946 -8.509 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -6.205 -15.191 -8.129 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -5.725 -13.987 -9.349 1.00 0.00 H new ATOM 480 N VAL A 53 -4.596 -11.375 -8.487 1.00 0.00 N ATOM 481 CA VAL A 53 -3.680 -10.277 -8.848 1.00 0.00 C ATOM 482 C VAL A 53 -3.396 -9.392 -7.612 1.00 0.00 C ATOM 483 O VAL A 53 -2.282 -8.905 -7.438 1.00 0.00 O ATOM 484 CB VAL A 53 -4.221 -9.421 -10.062 1.00 0.00 C ATOM 485 CG1 VAL A 53 -3.313 -8.197 -10.357 1.00 0.00 C ATOM 486 CG2 VAL A 53 -4.361 -10.297 -11.332 1.00 0.00 C ATOM 0 H VAL A 53 -5.512 -11.309 -8.931 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.742 -10.721 -9.180 1.00 0.00 H new ATOM 0 HB VAL A 53 -5.204 -9.047 -9.778 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -3.720 -7.636 -11.198 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.272 -7.554 -9.478 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -2.308 -8.540 -10.603 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.735 -9.688 -12.155 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -3.388 -10.709 -11.599 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.059 -11.111 -11.137 1.00 0.00 H new ATOM 496 N SER A 54 -4.411 -9.245 -6.738 1.00 0.00 N ATOM 497 CA SER A 54 -4.281 -8.529 -5.449 1.00 0.00 C ATOM 498 C SER A 54 -3.314 -9.275 -4.506 1.00 0.00 C ATOM 499 O SER A 54 -2.502 -8.652 -3.808 1.00 0.00 O ATOM 500 CB SER A 54 -5.676 -8.373 -4.796 1.00 0.00 C ATOM 501 OG SER A 54 -5.609 -7.723 -3.537 1.00 0.00 O ATOM 0 H SER A 54 -5.345 -9.619 -6.904 1.00 0.00 H new ATOM 0 HA SER A 54 -3.867 -7.538 -5.634 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.325 -7.805 -5.462 1.00 0.00 H new ATOM 0 HB3 SER A 54 -6.129 -9.357 -4.671 1.00 0.00 H new ATOM 0 HG SER A 54 -6.511 -7.644 -3.161 1.00 0.00 H new ATOM 507 N ALA A 55 -3.401 -10.621 -4.517 1.00 0.00 N ATOM 508 CA ALA A 55 -2.548 -11.490 -3.683 1.00 0.00 C ATOM 509 C ALA A 55 -1.088 -11.450 -4.152 1.00 0.00 C ATOM 510 O ALA A 55 -0.173 -11.345 -3.337 1.00 0.00 O ATOM 511 CB ALA A 55 -3.072 -12.931 -3.704 1.00 0.00 C ATOM 0 H ALA A 55 -4.061 -11.133 -5.102 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.585 -11.114 -2.660 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -2.433 -13.560 -3.084 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -4.090 -12.954 -3.315 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -3.067 -13.305 -4.728 1.00 0.00 H new ATOM 517 N VAL A 56 -0.897 -11.504 -5.478 1.00 0.00 N ATOM 518 CA VAL A 56 0.432 -11.647 -6.097 1.00 0.00 C ATOM 519 C VAL A 56 1.163 -10.286 -6.203 1.00 0.00 C ATOM 520 O VAL A 56 2.394 -10.250 -6.209 1.00 0.00 O ATOM 521 CB VAL A 56 0.330 -12.362 -7.496 1.00 0.00 C ATOM 522 CG1 VAL A 56 -0.259 -11.450 -8.582 1.00 0.00 C ATOM 523 CG2 VAL A 56 1.676 -12.972 -7.931 1.00 0.00 C ATOM 0 H VAL A 56 -1.659 -11.450 -6.154 1.00 0.00 H new ATOM 0 HA VAL A 56 1.033 -12.281 -5.445 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.372 -13.186 -7.368 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.307 -11.993 -9.526 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -1.262 -11.139 -8.291 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.374 -10.570 -8.701 1.00 0.00 H new ATOM 0 HG21 VAL A 56 1.560 -13.455 -8.901 1.00 0.00 H new ATOM 0 HG22 VAL A 56 2.425 -12.184 -8.005 1.00 0.00 H new ATOM 0 HG23 VAL A 56 1.996 -13.709 -7.195 1.00 0.00 H new ATOM 533 N SER A 57 0.397 -9.170 -6.287 1.00 0.00 N ATOM 534 CA SER A 57 0.969 -7.797 -6.278 1.00 0.00 C ATOM 535 C SER A 57 1.534 -7.479 -4.888 1.00 0.00 C ATOM 536 O SER A 57 2.628 -6.915 -4.754 1.00 0.00 O ATOM 537 CB SER A 57 -0.099 -6.749 -6.677 1.00 0.00 C ATOM 538 OG SER A 57 -1.240 -6.822 -5.836 1.00 0.00 O ATOM 0 H SER A 57 -0.620 -9.193 -6.362 1.00 0.00 H new ATOM 0 HA SER A 57 1.774 -7.752 -7.011 1.00 0.00 H new ATOM 0 HB2 SER A 57 0.332 -5.749 -6.621 1.00 0.00 H new ATOM 0 HB3 SER A 57 -0.398 -6.909 -7.713 1.00 0.00 H new ATOM 0 HG SER A 57 -1.822 -7.550 -6.137 1.00 0.00 H new ATOM 544 N ARG A 58 0.761 -7.869 -3.857 1.00 0.00 N ATOM 545 CA ARG A 58 1.184 -7.778 -2.454 1.00 0.00 C ATOM 546 C ARG A 58 2.370 -8.728 -2.186 1.00 0.00 C ATOM 547 O ARG A 58 3.329 -8.344 -1.523 1.00 0.00 O ATOM 548 CB ARG A 58 0.002 -8.101 -1.494 1.00 0.00 C ATOM 549 CG ARG A 58 0.393 -8.165 0.005 1.00 0.00 C ATOM 550 CD ARG A 58 0.970 -6.842 0.541 1.00 0.00 C ATOM 551 NE ARG A 58 1.664 -7.024 1.830 1.00 0.00 N ATOM 552 CZ ARG A 58 1.463 -6.299 2.936 1.00 0.00 C ATOM 553 NH1 ARG A 58 0.484 -5.399 2.997 1.00 0.00 N ATOM 554 NH2 ARG A 58 2.245 -6.491 3.985 1.00 0.00 N ATOM 0 H ARG A 58 -0.175 -8.256 -3.978 1.00 0.00 H new ATOM 0 HA ARG A 58 1.506 -6.754 -2.263 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -0.772 -7.344 -1.623 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -0.435 -9.057 -1.784 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -0.486 -8.434 0.591 1.00 0.00 H new ATOM 0 HG3 ARG A 58 1.127 -8.958 0.148 1.00 0.00 H new ATOM 0 HD2 ARG A 58 1.665 -6.427 -0.189 1.00 0.00 H new ATOM 0 HD3 ARG A 58 0.164 -6.118 0.662 1.00 0.00 H new ATOM 0 HE ARG A 58 2.359 -7.769 1.883 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -0.126 -5.254 2.193 1.00 0.00 H new ATOM 0 HH12 ARG A 58 0.344 -4.854 3.848 1.00 0.00 H new ATOM 0 HH21 ARG A 58 2.991 -7.185 3.945 1.00 0.00 H new ATOM 0 HH22 ARG A 58 2.102 -5.945 4.834 1.00 0.00 H new ATOM 568 N ARG A 59 2.292 -9.959 -2.731 1.00 0.00 N ATOM 569 CA ARG A 59 3.356 -10.982 -2.580 1.00 0.00 C ATOM 570 C ARG A 59 4.668 -10.491 -3.221 1.00 0.00 C ATOM 571 O ARG A 59 5.749 -10.736 -2.695 1.00 0.00 O ATOM 572 CB ARG A 59 2.915 -12.341 -3.197 1.00 0.00 C ATOM 573 CG ARG A 59 3.956 -13.491 -3.102 1.00 0.00 C ATOM 574 CD ARG A 59 4.294 -13.910 -1.657 1.00 0.00 C ATOM 575 NE ARG A 59 3.175 -14.606 -0.985 1.00 0.00 N ATOM 576 CZ ARG A 59 3.261 -15.254 0.193 1.00 0.00 C ATOM 577 NH1 ARG A 59 4.402 -15.293 0.879 1.00 0.00 N ATOM 578 NH2 ARG A 59 2.194 -15.863 0.687 1.00 0.00 N ATOM 0 H ARG A 59 1.496 -10.274 -3.286 1.00 0.00 H new ATOM 0 HA ARG A 59 3.529 -11.139 -1.515 1.00 0.00 H new ATOM 0 HB2 ARG A 59 1.998 -12.663 -2.703 1.00 0.00 H new ATOM 0 HB3 ARG A 59 2.672 -12.181 -4.247 1.00 0.00 H new ATOM 0 HG2 ARG A 59 3.575 -14.358 -3.642 1.00 0.00 H new ATOM 0 HG3 ARG A 59 4.873 -13.181 -3.604 1.00 0.00 H new ATOM 0 HD2 ARG A 59 5.167 -14.562 -1.668 1.00 0.00 H new ATOM 0 HD3 ARG A 59 4.564 -13.025 -1.081 1.00 0.00 H new ATOM 0 HE ARG A 59 2.267 -14.594 -1.450 1.00 0.00 H new ATOM 0 HH11 ARG A 59 5.233 -14.827 0.514 1.00 0.00 H new ATOM 0 HH12 ARG A 59 4.445 -15.789 1.769 1.00 0.00 H new ATOM 0 HH21 ARG A 59 1.312 -15.840 0.176 1.00 0.00 H new ATOM 0 HH22 ARG A 59 2.255 -16.355 1.579 1.00 0.00 H new ATOM 592 N ALA A 60 4.541 -9.760 -4.341 1.00 0.00 N ATOM 593 CA ALA A 60 5.687 -9.161 -5.050 1.00 0.00 C ATOM 594 C ALA A 60 6.250 -7.966 -4.253 1.00 0.00 C ATOM 595 O ALA A 60 7.453 -7.712 -4.274 1.00 0.00 O ATOM 596 CB ALA A 60 5.272 -8.739 -6.464 1.00 0.00 C ATOM 0 H ALA A 60 3.641 -9.567 -4.781 1.00 0.00 H new ATOM 0 HA ALA A 60 6.478 -9.906 -5.137 1.00 0.00 H new ATOM 0 HB1 ALA A 60 6.126 -8.298 -6.978 1.00 0.00 H new ATOM 0 HB2 ALA A 60 4.927 -9.612 -7.018 1.00 0.00 H new ATOM 0 HB3 ALA A 60 4.467 -8.006 -6.404 1.00 0.00 H new ATOM 602 N ASP A 61 5.362 -7.246 -3.531 1.00 0.00 N ATOM 603 CA ASP A 61 5.766 -6.133 -2.638 1.00 0.00 C ATOM 604 C ASP A 61 6.563 -6.666 -1.432 1.00 0.00 C ATOM 605 O ASP A 61 7.501 -6.018 -0.960 1.00 0.00 O ATOM 606 CB ASP A 61 4.529 -5.340 -2.151 1.00 0.00 C ATOM 607 CG ASP A 61 4.893 -4.097 -1.305 1.00 0.00 C ATOM 608 OD1 ASP A 61 5.265 -3.059 -1.884 1.00 0.00 O ATOM 609 OD2 ASP A 61 4.806 -4.148 -0.063 1.00 0.00 O ATOM 0 H ASP A 61 4.356 -7.416 -3.549 1.00 0.00 H new ATOM 0 HA ASP A 61 6.405 -5.459 -3.209 1.00 0.00 H new ATOM 0 HB2 ASP A 61 3.945 -5.024 -3.016 1.00 0.00 H new ATOM 0 HB3 ASP A 61 3.893 -5.999 -1.560 1.00 0.00 H new ATOM 614 N GLU A 62 6.181 -7.869 -0.962 1.00 0.00 N ATOM 615 CA GLU A 62 6.911 -8.611 0.086 1.00 0.00 C ATOM 616 C GLU A 62 8.345 -8.917 -0.384 1.00 0.00 C ATOM 617 O GLU A 62 9.300 -8.874 0.397 1.00 0.00 O ATOM 618 CB GLU A 62 6.174 -9.944 0.401 1.00 0.00 C ATOM 619 CG GLU A 62 4.733 -9.798 0.932 1.00 0.00 C ATOM 620 CD GLU A 62 4.677 -9.198 2.339 1.00 0.00 C ATOM 621 OE1 GLU A 62 4.959 -9.927 3.310 1.00 0.00 O ATOM 622 OE2 GLU A 62 4.393 -7.993 2.489 1.00 0.00 O ATOM 0 H GLU A 62 5.352 -8.357 -1.301 1.00 0.00 H new ATOM 0 HA GLU A 62 6.952 -7.998 0.986 1.00 0.00 H new ATOM 0 HB2 GLU A 62 6.149 -10.548 -0.506 1.00 0.00 H new ATOM 0 HB3 GLU A 62 6.759 -10.497 1.136 1.00 0.00 H new ATOM 0 HG2 GLU A 62 4.162 -9.168 0.250 1.00 0.00 H new ATOM 0 HG3 GLU A 62 4.253 -10.776 0.940 1.00 0.00 H new ATOM 629 N GLU A 63 8.473 -9.214 -1.683 1.00 0.00 N ATOM 630 CA GLU A 63 9.756 -9.533 -2.323 1.00 0.00 C ATOM 631 C GLU A 63 10.595 -8.275 -2.600 1.00 0.00 C ATOM 632 O GLU A 63 11.803 -8.381 -2.864 1.00 0.00 O ATOM 633 CB GLU A 63 9.509 -10.308 -3.640 1.00 0.00 C ATOM 634 CG GLU A 63 8.681 -11.598 -3.476 1.00 0.00 C ATOM 635 CD GLU A 63 9.214 -12.546 -2.390 1.00 0.00 C ATOM 636 OE1 GLU A 63 10.374 -13.008 -2.506 1.00 0.00 O ATOM 637 OE2 GLU A 63 8.488 -12.828 -1.406 1.00 0.00 O ATOM 0 H GLU A 63 7.681 -9.240 -2.326 1.00 0.00 H new ATOM 0 HA GLU A 63 10.323 -10.155 -1.630 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.998 -9.650 -4.344 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.472 -10.563 -4.083 1.00 0.00 H new ATOM 0 HG2 GLU A 63 7.652 -11.330 -3.237 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.659 -12.128 -4.428 1.00 0.00 H new ATOM 644 N GLY A 64 9.950 -7.096 -2.527 1.00 0.00 N ATOM 645 CA GLY A 64 10.593 -5.827 -2.857 1.00 0.00 C ATOM 646 C GLY A 64 10.778 -5.662 -4.358 1.00 0.00 C ATOM 647 O GLY A 64 11.806 -5.170 -4.819 1.00 0.00 O ATOM 0 H GLY A 64 8.976 -7.004 -2.239 1.00 0.00 H new ATOM 0 HA2 GLY A 64 9.991 -5.004 -2.472 1.00 0.00 H new ATOM 0 HA3 GLY A 64 11.563 -5.771 -2.363 1.00 0.00 H new ATOM 651 N ALA A 65 9.773 -6.113 -5.112 1.00 0.00 N ATOM 652 CA ALA A 65 9.744 -6.042 -6.581 1.00 0.00 C ATOM 653 C ALA A 65 8.993 -4.787 -7.032 1.00 0.00 C ATOM 654 O ALA A 65 7.848 -4.561 -6.615 1.00 0.00 O ATOM 655 CB ALA A 65 9.075 -7.300 -7.159 1.00 0.00 C ATOM 0 H ALA A 65 8.940 -6.546 -4.715 1.00 0.00 H new ATOM 0 HA ALA A 65 10.768 -5.990 -6.952 1.00 0.00 H new ATOM 0 HB1 ALA A 65 9.059 -7.236 -8.247 1.00 0.00 H new ATOM 0 HB2 ALA A 65 9.637 -8.183 -6.855 1.00 0.00 H new ATOM 0 HB3 ALA A 65 8.054 -7.374 -6.785 1.00 0.00 H new ATOM 661 N ALA A 66 9.643 -3.981 -7.886 1.00 0.00 N ATOM 662 CA ALA A 66 9.041 -2.768 -8.479 1.00 0.00 C ATOM 663 C ALA A 66 7.831 -3.132 -9.350 1.00 0.00 C ATOM 664 O ALA A 66 6.825 -2.412 -9.395 1.00 0.00 O ATOM 665 CB ALA A 66 10.088 -2.035 -9.328 1.00 0.00 C ATOM 0 H ALA A 66 10.603 -4.149 -8.188 1.00 0.00 H new ATOM 0 HA ALA A 66 8.703 -2.118 -7.672 1.00 0.00 H new ATOM 0 HB1 ALA A 66 9.642 -1.141 -9.764 1.00 0.00 H new ATOM 0 HB2 ALA A 66 10.931 -1.750 -8.699 1.00 0.00 H new ATOM 0 HB3 ALA A 66 10.436 -2.693 -10.125 1.00 0.00 H new ATOM 671 N SER A 67 7.961 -4.275 -10.035 1.00 0.00 N ATOM 672 CA SER A 67 6.962 -4.778 -10.967 1.00 0.00 C ATOM 673 C SER A 67 6.812 -6.301 -10.831 1.00 0.00 C ATOM 674 O SER A 67 7.593 -6.960 -10.137 1.00 0.00 O ATOM 675 CB SER A 67 7.360 -4.387 -12.418 1.00 0.00 C ATOM 676 OG SER A 67 7.525 -2.977 -12.555 1.00 0.00 O ATOM 0 H SER A 67 8.778 -4.880 -9.951 1.00 0.00 H new ATOM 0 HA SER A 67 5.997 -4.328 -10.733 1.00 0.00 H new ATOM 0 HB2 SER A 67 8.288 -4.891 -12.690 1.00 0.00 H new ATOM 0 HB3 SER A 67 6.594 -4.733 -13.112 1.00 0.00 H new ATOM 0 HG SER A 67 8.194 -2.792 -13.247 1.00 0.00 H new ATOM 682 N PHE A 68 5.768 -6.829 -11.471 1.00 0.00 N ATOM 683 CA PHE A 68 5.563 -8.274 -11.666 1.00 0.00 C ATOM 684 C PHE A 68 4.818 -8.477 -12.991 1.00 0.00 C ATOM 685 O PHE A 68 4.316 -7.522 -13.568 1.00 0.00 O ATOM 686 CB PHE A 68 4.772 -8.914 -10.477 1.00 0.00 C ATOM 687 CG PHE A 68 3.265 -8.624 -10.457 1.00 0.00 C ATOM 688 CD1 PHE A 68 2.767 -7.434 -9.934 1.00 0.00 C ATOM 689 CD2 PHE A 68 2.349 -9.544 -10.980 1.00 0.00 C ATOM 690 CE1 PHE A 68 1.408 -7.179 -9.929 1.00 0.00 C ATOM 691 CE2 PHE A 68 0.995 -9.280 -10.976 1.00 0.00 C ATOM 692 CZ PHE A 68 0.525 -8.102 -10.450 1.00 0.00 C ATOM 0 H PHE A 68 5.026 -6.259 -11.877 1.00 0.00 H new ATOM 0 HA PHE A 68 6.531 -8.774 -11.698 1.00 0.00 H new ATOM 0 HB2 PHE A 68 4.917 -9.994 -10.506 1.00 0.00 H new ATOM 0 HB3 PHE A 68 5.205 -8.559 -9.542 1.00 0.00 H new ATOM 0 HD1 PHE A 68 3.449 -6.702 -9.528 1.00 0.00 H new ATOM 0 HD2 PHE A 68 2.708 -10.475 -11.393 1.00 0.00 H new ATOM 0 HE1 PHE A 68 1.036 -6.253 -9.515 1.00 0.00 H new ATOM 0 HE2 PHE A 68 0.304 -10.001 -11.387 1.00 0.00 H new ATOM 0 HZ PHE A 68 -0.536 -7.898 -10.444 1.00 0.00 H new ATOM 702 N TYR A 69 4.720 -9.719 -13.444 1.00 0.00 N ATOM 703 CA TYR A 69 3.969 -10.075 -14.646 1.00 0.00 C ATOM 704 C TYR A 69 3.444 -11.497 -14.477 1.00 0.00 C ATOM 705 O TYR A 69 4.219 -12.399 -14.180 1.00 0.00 O ATOM 706 CB TYR A 69 4.878 -9.959 -15.901 1.00 0.00 C ATOM 707 CG TYR A 69 4.177 -10.256 -17.235 1.00 0.00 C ATOM 708 CD1 TYR A 69 3.534 -9.248 -17.953 1.00 0.00 C ATOM 709 CD2 TYR A 69 4.150 -11.547 -17.780 1.00 0.00 C ATOM 710 CE1 TYR A 69 2.897 -9.513 -19.149 1.00 0.00 C ATOM 711 CE2 TYR A 69 3.515 -11.812 -18.977 1.00 0.00 C ATOM 712 CZ TYR A 69 2.892 -10.793 -19.658 1.00 0.00 C ATOM 713 OH TYR A 69 2.250 -11.059 -20.851 1.00 0.00 O ATOM 0 H TYR A 69 5.162 -10.516 -12.986 1.00 0.00 H new ATOM 0 HA TYR A 69 3.131 -9.393 -14.786 1.00 0.00 H new ATOM 0 HB2 TYR A 69 5.291 -8.951 -15.941 1.00 0.00 H new ATOM 0 HB3 TYR A 69 5.718 -10.644 -15.788 1.00 0.00 H new ATOM 0 HD1 TYR A 69 3.534 -8.240 -17.566 1.00 0.00 H new ATOM 0 HD2 TYR A 69 4.637 -12.353 -17.251 1.00 0.00 H new ATOM 0 HE1 TYR A 69 2.403 -8.717 -19.685 1.00 0.00 H new ATOM 0 HE2 TYR A 69 3.508 -12.815 -19.377 1.00 0.00 H new ATOM 0 HH TYR A 69 2.343 -12.010 -21.067 1.00 0.00 H new ATOM 723 N VAL A 70 2.134 -11.696 -14.661 1.00 0.00 N ATOM 724 CA VAL A 70 1.525 -13.030 -14.616 1.00 0.00 C ATOM 725 C VAL A 70 1.952 -13.801 -15.880 1.00 0.00 C ATOM 726 O VAL A 70 1.397 -13.598 -16.967 1.00 0.00 O ATOM 727 CB VAL A 70 -0.044 -12.950 -14.488 1.00 0.00 C ATOM 728 CG1 VAL A 70 -0.691 -14.357 -14.482 1.00 0.00 C ATOM 729 CG2 VAL A 70 -0.454 -12.142 -13.224 1.00 0.00 C ATOM 0 H VAL A 70 1.471 -10.943 -14.844 1.00 0.00 H new ATOM 0 HA VAL A 70 1.874 -13.559 -13.729 1.00 0.00 H new ATOM 0 HB VAL A 70 -0.419 -12.425 -15.366 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -1.773 -14.260 -14.392 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -0.449 -14.873 -15.411 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -0.307 -14.930 -13.638 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.541 -12.100 -13.156 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.053 -12.629 -12.335 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.055 -11.130 -13.294 1.00 0.00 H new ATOM 739 N VAL A 71 2.990 -14.636 -15.726 1.00 0.00 N ATOM 740 CA VAL A 71 3.630 -15.360 -16.838 1.00 0.00 C ATOM 741 C VAL A 71 2.893 -16.686 -17.115 1.00 0.00 C ATOM 742 O VAL A 71 3.030 -17.269 -18.203 1.00 0.00 O ATOM 743 CB VAL A 71 5.163 -15.603 -16.528 1.00 0.00 C ATOM 744 CG1 VAL A 71 5.372 -16.487 -15.274 1.00 0.00 C ATOM 745 CG2 VAL A 71 5.941 -16.153 -17.759 1.00 0.00 C ATOM 0 H VAL A 71 3.414 -14.831 -14.819 1.00 0.00 H new ATOM 0 HA VAL A 71 3.564 -14.750 -17.739 1.00 0.00 H new ATOM 0 HB VAL A 71 5.587 -14.624 -16.303 1.00 0.00 H new ATOM 0 HG11 VAL A 71 6.439 -16.626 -15.101 1.00 0.00 H new ATOM 0 HG12 VAL A 71 4.924 -16.001 -14.407 1.00 0.00 H new ATOM 0 HG13 VAL A 71 4.900 -17.457 -15.430 1.00 0.00 H new ATOM 0 HG21 VAL A 71 6.987 -16.302 -17.492 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.507 -17.104 -18.069 1.00 0.00 H new ATOM 0 HG23 VAL A 71 5.874 -15.439 -18.580 1.00 0.00 H new ATOM 755 N ASP A 72 2.072 -17.131 -16.136 1.00 0.00 N ATOM 756 CA ASP A 72 1.320 -18.390 -16.226 1.00 0.00 C ATOM 757 C ASP A 72 0.181 -18.433 -15.178 1.00 0.00 C ATOM 758 O ASP A 72 0.286 -17.830 -14.107 1.00 0.00 O ATOM 759 CB ASP A 72 2.275 -19.594 -16.021 1.00 0.00 C ATOM 760 CG ASP A 72 1.578 -20.965 -16.160 1.00 0.00 C ATOM 761 OD1 ASP A 72 1.466 -21.479 -17.295 1.00 0.00 O ATOM 762 OD2 ASP A 72 1.137 -21.530 -15.133 1.00 0.00 O ATOM 0 H ASP A 72 1.917 -16.623 -15.265 1.00 0.00 H new ATOM 0 HA ASP A 72 0.873 -18.450 -17.218 1.00 0.00 H new ATOM 0 HB2 ASP A 72 3.085 -19.532 -16.747 1.00 0.00 H new ATOM 0 HB3 ASP A 72 2.727 -19.524 -15.032 1.00 0.00 H new ATOM 767 N THR A 73 -0.901 -19.155 -15.530 1.00 0.00 N ATOM 768 CA THR A 73 -1.996 -19.539 -14.624 1.00 0.00 C ATOM 769 C THR A 73 -2.430 -20.971 -14.989 1.00 0.00 C ATOM 770 O THR A 73 -2.904 -21.213 -16.102 1.00 0.00 O ATOM 771 CB THR A 73 -3.228 -18.564 -14.716 1.00 0.00 C ATOM 772 OG1 THR A 73 -3.552 -18.317 -16.096 1.00 0.00 O ATOM 773 CG2 THR A 73 -2.981 -17.221 -14.006 1.00 0.00 C ATOM 0 H THR A 73 -1.039 -19.496 -16.481 1.00 0.00 H new ATOM 0 HA THR A 73 -1.634 -19.483 -13.597 1.00 0.00 H new ATOM 0 HB THR A 73 -4.058 -19.055 -14.208 1.00 0.00 H new ATOM 0 HG1 THR A 73 -3.541 -19.163 -16.591 1.00 0.00 H new ATOM 0 HG21 THR A 73 -3.865 -16.590 -14.103 1.00 0.00 H new ATOM 0 HG22 THR A 73 -2.777 -17.400 -12.950 1.00 0.00 H new ATOM 0 HG23 THR A 73 -2.126 -16.721 -14.461 1.00 0.00 H new ATOM 781 N SER A 74 -2.211 -21.913 -14.066 1.00 0.00 N ATOM 782 CA SER A 74 -2.594 -23.326 -14.223 1.00 0.00 C ATOM 783 C SER A 74 -3.202 -23.823 -12.905 1.00 0.00 C ATOM 784 O SER A 74 -2.844 -23.318 -11.847 1.00 0.00 O ATOM 785 CB SER A 74 -1.356 -24.178 -14.599 1.00 0.00 C ATOM 786 OG SER A 74 -0.763 -23.729 -15.807 1.00 0.00 O ATOM 0 H SER A 74 -1.756 -21.716 -13.175 1.00 0.00 H new ATOM 0 HA SER A 74 -3.328 -23.421 -15.023 1.00 0.00 H new ATOM 0 HB2 SER A 74 -0.623 -24.132 -13.794 1.00 0.00 H new ATOM 0 HB3 SER A 74 -1.650 -25.222 -14.703 1.00 0.00 H new ATOM 0 HG SER A 74 -0.122 -23.014 -15.611 1.00 0.00 H new ATOM 792 N GLU A 75 -4.097 -24.822 -12.971 1.00 0.00 N ATOM 793 CA GLU A 75 -4.740 -25.389 -11.773 1.00 0.00 C ATOM 794 C GLU A 75 -3.696 -26.077 -10.859 1.00 0.00 C ATOM 795 O GLU A 75 -2.679 -26.584 -11.349 1.00 0.00 O ATOM 796 CB GLU A 75 -5.870 -26.385 -12.171 1.00 0.00 C ATOM 797 CG GLU A 75 -5.389 -27.618 -12.966 1.00 0.00 C ATOM 798 CD GLU A 75 -6.519 -28.589 -13.331 1.00 0.00 C ATOM 799 OE1 GLU A 75 -6.865 -29.452 -12.505 1.00 0.00 O ATOM 800 OE2 GLU A 75 -7.063 -28.493 -14.451 1.00 0.00 O ATOM 0 H GLU A 75 -4.393 -25.256 -13.845 1.00 0.00 H new ATOM 0 HA GLU A 75 -5.191 -24.570 -11.212 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -6.371 -26.726 -11.265 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -6.613 -25.853 -12.765 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -4.899 -27.283 -13.880 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -4.639 -28.149 -12.379 1.00 0.00 H new ATOM 866 N ASN A 81 -9.367 -25.246 -7.603 1.00 0.00 N ATOM 867 CA ASN A 81 -8.138 -24.704 -6.984 1.00 0.00 C ATOM 868 C ASN A 81 -7.132 -24.407 -8.095 1.00 0.00 C ATOM 869 O ASN A 81 -6.687 -25.305 -8.798 1.00 0.00 O ATOM 870 CB ASN A 81 -7.568 -25.619 -5.837 1.00 0.00 C ATOM 871 CG ASN A 81 -7.487 -27.147 -6.089 1.00 0.00 C ATOM 872 OD1 ASN A 81 -7.795 -27.940 -5.202 1.00 0.00 O ATOM 873 ND2 ASN A 81 -7.016 -27.588 -7.236 1.00 0.00 N ATOM 0 HA ASN A 81 -8.372 -23.773 -6.469 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -6.564 -25.267 -5.599 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -8.180 -25.460 -4.949 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -6.906 -28.590 -7.391 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -6.761 -26.928 -7.970 1.00 0.00 H new ATOM 880 N TRP A 82 -6.833 -23.122 -8.305 1.00 0.00 N ATOM 881 CA TRP A 82 -5.922 -22.684 -9.367 1.00 0.00 C ATOM 882 C TRP A 82 -4.751 -21.902 -8.780 1.00 0.00 C ATOM 883 O TRP A 82 -4.821 -21.372 -7.671 1.00 0.00 O ATOM 884 CB TRP A 82 -6.670 -21.895 -10.472 1.00 0.00 C ATOM 885 CG TRP A 82 -7.338 -20.603 -10.033 1.00 0.00 C ATOM 886 CD1 TRP A 82 -8.403 -20.458 -9.188 1.00 0.00 C ATOM 887 CD2 TRP A 82 -6.996 -19.283 -10.468 1.00 0.00 C ATOM 888 NE1 TRP A 82 -8.729 -19.131 -9.065 1.00 0.00 N ATOM 889 CE2 TRP A 82 -7.880 -18.392 -9.842 1.00 0.00 C ATOM 890 CE3 TRP A 82 -6.012 -18.770 -11.313 1.00 0.00 C ATOM 891 CZ2 TRP A 82 -7.818 -17.019 -10.041 1.00 0.00 C ATOM 892 CZ3 TRP A 82 -5.956 -17.409 -11.521 1.00 0.00 C ATOM 893 CH2 TRP A 82 -6.852 -16.545 -10.881 1.00 0.00 C ATOM 0 H TRP A 82 -7.214 -22.358 -7.746 1.00 0.00 H new ATOM 0 HA TRP A 82 -5.510 -23.569 -9.852 1.00 0.00 H new ATOM 0 HB2 TRP A 82 -5.962 -21.662 -11.267 1.00 0.00 H new ATOM 0 HB3 TRP A 82 -7.431 -22.546 -10.903 1.00 0.00 H new ATOM 0 HD1 TRP A 82 -8.913 -21.269 -8.690 1.00 0.00 H new ATOM 0 HE1 TRP A 82 -9.482 -18.756 -8.488 1.00 0.00 H new ATOM 0 HE3 TRP A 82 -5.306 -19.429 -11.796 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 -8.509 -16.350 -9.549 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -5.210 -17.003 -12.188 1.00 0.00 H new ATOM 0 HH2 TRP A 82 -6.778 -15.482 -11.055 1.00 0.00 H new ATOM 904 N ARG A 83 -3.689 -21.842 -9.565 1.00 0.00 N ATOM 905 CA ARG A 83 -2.358 -21.425 -9.135 1.00 0.00 C ATOM 906 C ARG A 83 -1.798 -20.432 -10.164 1.00 0.00 C ATOM 907 O ARG A 83 -1.870 -20.671 -11.374 1.00 0.00 O ATOM 908 CB ARG A 83 -1.486 -22.721 -8.945 1.00 0.00 C ATOM 909 CG ARG A 83 0.062 -22.585 -9.027 1.00 0.00 C ATOM 910 CD ARG A 83 0.608 -22.749 -10.462 1.00 0.00 C ATOM 911 NE ARG A 83 2.076 -22.886 -10.477 1.00 0.00 N ATOM 912 CZ ARG A 83 2.761 -23.961 -10.902 1.00 0.00 C ATOM 913 NH1 ARG A 83 2.130 -25.064 -11.300 1.00 0.00 N ATOM 914 NH2 ARG A 83 4.084 -23.934 -10.920 1.00 0.00 N ATOM 0 H ARG A 83 -3.727 -22.090 -10.554 1.00 0.00 H new ATOM 0 HA ARG A 83 -2.366 -20.901 -8.179 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -1.732 -23.148 -7.973 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -1.797 -23.445 -9.698 1.00 0.00 H new ATOM 0 HG2 ARG A 83 0.356 -21.609 -8.642 1.00 0.00 H new ATOM 0 HG3 ARG A 83 0.521 -23.334 -8.382 1.00 0.00 H new ATOM 0 HD2 ARG A 83 0.156 -23.627 -10.925 1.00 0.00 H new ATOM 0 HD3 ARG A 83 0.317 -21.887 -11.062 1.00 0.00 H new ATOM 0 HE ARG A 83 2.620 -22.094 -10.134 1.00 0.00 H new ATOM 0 HH11 ARG A 83 1.111 -25.102 -11.285 1.00 0.00 H new ATOM 0 HH12 ARG A 83 2.666 -25.871 -11.620 1.00 0.00 H new ATOM 0 HH21 ARG A 83 4.581 -23.099 -10.612 1.00 0.00 H new ATOM 0 HH22 ARG A 83 4.606 -24.749 -11.242 1.00 0.00 H new ATOM 928 N VAL A 84 -1.268 -19.307 -9.667 1.00 0.00 N ATOM 929 CA VAL A 84 -0.695 -18.236 -10.495 1.00 0.00 C ATOM 930 C VAL A 84 0.837 -18.249 -10.374 1.00 0.00 C ATOM 931 O VAL A 84 1.375 -18.222 -9.261 1.00 0.00 O ATOM 932 CB VAL A 84 -1.234 -16.813 -10.064 1.00 0.00 C ATOM 933 CG1 VAL A 84 -0.700 -15.695 -10.996 1.00 0.00 C ATOM 934 CG2 VAL A 84 -2.781 -16.803 -9.998 1.00 0.00 C ATOM 0 H VAL A 84 -1.224 -19.112 -8.667 1.00 0.00 H new ATOM 0 HA VAL A 84 -0.995 -18.420 -11.527 1.00 0.00 H new ATOM 0 HB VAL A 84 -0.856 -16.606 -9.063 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -1.091 -14.731 -10.669 1.00 0.00 H new ATOM 0 HG12 VAL A 84 0.389 -15.677 -10.956 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.022 -15.889 -12.019 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -3.126 -15.813 -9.699 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.189 -17.049 -10.979 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -3.119 -17.540 -9.269 1.00 0.00 H new ATOM 944 N VAL A 85 1.528 -18.320 -11.518 1.00 0.00 N ATOM 945 CA VAL A 85 2.967 -18.052 -11.601 1.00 0.00 C ATOM 946 C VAL A 85 3.138 -16.629 -12.150 1.00 0.00 C ATOM 947 O VAL A 85 2.655 -16.321 -13.252 1.00 0.00 O ATOM 948 CB VAL A 85 3.723 -19.062 -12.539 1.00 0.00 C ATOM 949 CG1 VAL A 85 5.261 -18.877 -12.450 1.00 0.00 C ATOM 950 CG2 VAL A 85 3.311 -20.519 -12.237 1.00 0.00 C ATOM 0 H VAL A 85 1.104 -18.565 -12.413 1.00 0.00 H new ATOM 0 HA VAL A 85 3.398 -18.165 -10.606 1.00 0.00 H new ATOM 0 HB VAL A 85 3.429 -18.842 -13.565 1.00 0.00 H new ATOM 0 HG11 VAL A 85 5.752 -19.591 -13.111 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.524 -17.863 -12.752 1.00 0.00 H new ATOM 0 HG13 VAL A 85 5.589 -19.047 -11.425 1.00 0.00 H new ATOM 0 HG21 VAL A 85 3.850 -21.195 -12.901 1.00 0.00 H new ATOM 0 HG22 VAL A 85 3.553 -20.758 -11.202 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.239 -20.634 -12.395 1.00 0.00 H new ATOM 960 N ALA A 86 3.789 -15.757 -11.379 1.00 0.00 N ATOM 961 CA ALA A 86 4.078 -14.385 -11.798 1.00 0.00 C ATOM 962 C ALA A 86 5.556 -14.088 -11.565 1.00 0.00 C ATOM 963 O ALA A 86 6.053 -14.220 -10.443 1.00 0.00 O ATOM 964 CB ALA A 86 3.185 -13.387 -11.055 1.00 0.00 C ATOM 0 H ALA A 86 4.131 -15.983 -10.445 1.00 0.00 H new ATOM 0 HA ALA A 86 3.861 -14.280 -12.861 1.00 0.00 H new ATOM 0 HB1 ALA A 86 3.419 -12.374 -11.384 1.00 0.00 H new ATOM 0 HB2 ALA A 86 2.139 -13.605 -11.269 1.00 0.00 H new ATOM 0 HB3 ALA A 86 3.361 -13.470 -9.982 1.00 0.00 H new ATOM 970 N ASP A 87 6.261 -13.718 -12.639 1.00 0.00 N ATOM 971 CA ASP A 87 7.680 -13.372 -12.582 1.00 0.00 C ATOM 972 C ASP A 87 7.827 -11.889 -12.198 1.00 0.00 C ATOM 973 O ASP A 87 7.108 -11.037 -12.716 1.00 0.00 O ATOM 974 CB ASP A 87 8.371 -13.723 -13.929 1.00 0.00 C ATOM 975 CG ASP A 87 7.916 -12.913 -15.149 1.00 0.00 C ATOM 976 OD1 ASP A 87 6.710 -12.845 -15.420 1.00 0.00 O ATOM 977 OD2 ASP A 87 8.777 -12.389 -15.870 1.00 0.00 O ATOM 0 H ASP A 87 5.860 -13.651 -13.574 1.00 0.00 H new ATOM 0 HA ASP A 87 8.184 -13.959 -11.814 1.00 0.00 H new ATOM 0 HB2 ASP A 87 9.446 -13.589 -13.809 1.00 0.00 H new ATOM 0 HB3 ASP A 87 8.203 -14.780 -14.136 1.00 0.00 H new ATOM 982 N VAL A 88 8.764 -11.595 -11.281 1.00 0.00 N ATOM 983 CA VAL A 88 8.857 -10.287 -10.591 1.00 0.00 C ATOM 984 C VAL A 88 10.124 -9.520 -11.012 1.00 0.00 C ATOM 985 O VAL A 88 11.230 -10.067 -11.019 1.00 0.00 O ATOM 986 CB VAL A 88 8.816 -10.469 -9.020 1.00 0.00 C ATOM 987 CG1 VAL A 88 7.421 -10.933 -8.558 1.00 0.00 C ATOM 988 CG2 VAL A 88 9.906 -11.447 -8.509 1.00 0.00 C ATOM 0 H VAL A 88 9.484 -12.258 -10.993 1.00 0.00 H new ATOM 0 HA VAL A 88 7.991 -9.697 -10.891 1.00 0.00 H new ATOM 0 HB VAL A 88 9.027 -9.492 -8.585 1.00 0.00 H new ATOM 0 HG11 VAL A 88 7.417 -11.051 -7.474 1.00 0.00 H new ATOM 0 HG12 VAL A 88 6.677 -10.190 -8.844 1.00 0.00 H new ATOM 0 HG13 VAL A 88 7.181 -11.887 -9.028 1.00 0.00 H new ATOM 0 HG21 VAL A 88 9.835 -11.537 -7.425 1.00 0.00 H new ATOM 0 HG22 VAL A 88 9.759 -12.426 -8.965 1.00 0.00 H new ATOM 0 HG23 VAL A 88 10.891 -11.066 -8.778 1.00 0.00 H new ATOM 998 N TYR A 89 9.928 -8.234 -11.357 1.00 0.00 N ATOM 999 CA TYR A 89 10.954 -7.360 -11.953 1.00 0.00 C ATOM 1000 C TYR A 89 11.411 -6.276 -10.969 1.00 0.00 C ATOM 1001 O TYR A 89 10.749 -5.996 -9.963 1.00 0.00 O ATOM 1002 CB TYR A 89 10.380 -6.672 -13.219 1.00 0.00 C ATOM 1003 CG TYR A 89 10.006 -7.617 -14.363 1.00 0.00 C ATOM 1004 CD1 TYR A 89 8.801 -8.329 -14.358 1.00 0.00 C ATOM 1005 CD2 TYR A 89 10.853 -7.782 -15.459 1.00 0.00 C ATOM 1006 CE1 TYR A 89 8.467 -9.165 -15.405 1.00 0.00 C ATOM 1007 CE2 TYR A 89 10.517 -8.613 -16.501 1.00 0.00 C ATOM 1008 CZ TYR A 89 9.329 -9.296 -16.471 1.00 0.00 C ATOM 1009 OH TYR A 89 9.014 -10.132 -17.512 1.00 0.00 O ATOM 0 H TYR A 89 9.032 -7.764 -11.226 1.00 0.00 H new ATOM 0 HA TYR A 89 11.812 -7.982 -12.209 1.00 0.00 H new ATOM 0 HB2 TYR A 89 9.494 -6.104 -12.934 1.00 0.00 H new ATOM 0 HB3 TYR A 89 11.114 -5.955 -13.587 1.00 0.00 H new ATOM 0 HD1 TYR A 89 8.123 -8.223 -13.524 1.00 0.00 H new ATOM 0 HD2 TYR A 89 11.790 -7.247 -15.489 1.00 0.00 H new ATOM 0 HE1 TYR A 89 7.536 -9.712 -15.388 1.00 0.00 H new ATOM 0 HE2 TYR A 89 11.187 -8.727 -17.340 1.00 0.00 H new ATOM 0 HH TYR A 89 8.875 -11.040 -17.172 1.00 0.00 H new ATOM 1019 N LYS A 90 12.558 -5.666 -11.298 1.00 0.00 N ATOM 1020 CA LYS A 90 13.075 -4.455 -10.641 1.00 0.00 C ATOM 1021 C LYS A 90 12.976 -3.277 -11.628 1.00 0.00 C ATOM 1022 O LYS A 90 12.762 -3.481 -12.834 1.00 0.00 O ATOM 1023 CB LYS A 90 14.550 -4.678 -10.199 1.00 0.00 C ATOM 1024 CG LYS A 90 14.756 -5.863 -9.221 1.00 0.00 C ATOM 1025 CD LYS A 90 14.120 -5.630 -7.823 1.00 0.00 C ATOM 1026 CE LYS A 90 14.836 -4.537 -7.013 1.00 0.00 C ATOM 1027 NZ LYS A 90 14.245 -4.361 -5.663 1.00 0.00 N ATOM 0 H LYS A 90 13.165 -6.007 -12.043 1.00 0.00 H new ATOM 0 HA LYS A 90 12.486 -4.232 -9.752 1.00 0.00 H new ATOM 0 HB2 LYS A 90 15.161 -4.845 -11.086 1.00 0.00 H new ATOM 0 HB3 LYS A 90 14.916 -3.766 -9.727 1.00 0.00 H new ATOM 0 HG2 LYS A 90 14.329 -6.765 -9.660 1.00 0.00 H new ATOM 0 HG3 LYS A 90 15.824 -6.043 -9.100 1.00 0.00 H new ATOM 0 HD2 LYS A 90 13.073 -5.355 -7.948 1.00 0.00 H new ATOM 0 HD3 LYS A 90 14.140 -6.563 -7.261 1.00 0.00 H new ATOM 0 HE2 LYS A 90 15.891 -4.792 -6.915 1.00 0.00 H new ATOM 0 HE3 LYS A 90 14.785 -3.593 -7.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 14.131 -3.347 -5.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 13.316 -4.828 -5.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 14.873 -4.785 -4.951 1.00 0.00 H new ATOM 1041 N ALA A 91 13.120 -2.048 -11.108 1.00 0.00 N ATOM 1042 CA ALA A 91 13.075 -0.822 -11.917 1.00 0.00 C ATOM 1043 C ALA A 91 14.508 -0.448 -12.380 1.00 0.00 C ATOM 1044 O ALA A 91 14.984 -1.027 -13.379 1.00 0.00 O ATOM 1045 CB ALA A 91 12.390 0.308 -11.113 1.00 0.00 C ATOM 1046 OXT ALA A 91 15.166 0.407 -11.750 1.00 0.00 O ATOM 0 H ALA A 91 13.271 -1.877 -10.114 1.00 0.00 H new ATOM 0 HA ALA A 91 12.480 -0.982 -12.816 1.00 0.00 H new ATOM 0 HB1 ALA A 91 12.358 1.216 -11.716 1.00 0.00 H new ATOM 0 HB2 ALA A 91 11.374 0.007 -10.856 1.00 0.00 H new ATOM 0 HB3 ALA A 91 12.954 0.498 -10.200 1.00 0.00 H new