USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 605 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 69 THR OG1 : rot 133:sc= -1.32 USER MOD Set 1.2: A 71 ASN : amide:sc= -4.5! C(o=-5.8!,f=-9.8!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= -0.0125 K(o=-0.012,f=-1.1) USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.225 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -3.1! C(o=-3.1!,f=-3.5!) USER MOD Single : A 30 ASN : amide:sc= -1.39 K(o=-1.4,f=-3.8!) USER MOD Single : A 34 THR OG1 : rot 90:sc= 1.03 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.0176 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 GLN : amide:sc= 0.749 K(o=0.75,f=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -0.0052 X(o=-0.0052,f=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0211) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 GLN : amide:sc= -0.54 X(o=-0.54,f=-0.92) USER MOD ----------------------------------------------------------------- ATOM 23 N GLU A 4 4.053 -14.737 6.441 1.00 0.00 N ATOM 24 CA GLU A 4 4.511 -13.396 6.760 1.00 0.00 C ATOM 25 C GLU A 4 5.169 -12.754 5.537 1.00 0.00 C ATOM 26 O GLU A 4 5.633 -11.617 5.601 1.00 0.00 O ATOM 27 CB GLU A 4 5.469 -13.413 7.952 1.00 0.00 C ATOM 28 CG GLU A 4 6.724 -14.230 7.636 1.00 0.00 C ATOM 29 CD GLU A 4 7.211 -14.988 8.872 1.00 0.00 C ATOM 30 OE1 GLU A 4 6.527 -15.965 9.244 1.00 0.00 O ATOM 31 OE2 GLU A 4 8.256 -14.571 9.418 1.00 0.00 O ATOM 0 HA GLU A 4 3.646 -12.795 7.040 1.00 0.00 H new ATOM 0 HB2 GLU A 4 5.751 -12.392 8.211 1.00 0.00 H new ATOM 0 HB3 GLU A 4 4.965 -13.835 8.822 1.00 0.00 H new ATOM 0 HG2 GLU A 4 6.510 -14.936 6.833 1.00 0.00 H new ATOM 0 HG3 GLU A 4 7.512 -13.568 7.277 1.00 0.00 H new ATOM 38 N ALA A 5 5.189 -13.511 4.450 1.00 0.00 N ATOM 39 CA ALA A 5 5.782 -13.031 3.213 1.00 0.00 C ATOM 40 C ALA A 5 4.860 -11.987 2.582 1.00 0.00 C ATOM 41 O ALA A 5 5.275 -11.240 1.697 1.00 0.00 O ATOM 42 CB ALA A 5 6.046 -14.215 2.280 1.00 0.00 C ATOM 0 H ALA A 5 4.804 -14.454 4.400 1.00 0.00 H new ATOM 0 HA ALA A 5 6.740 -12.550 3.409 1.00 0.00 H new ATOM 0 HB1 ALA A 5 6.491 -13.855 1.352 1.00 0.00 H new ATOM 0 HB2 ALA A 5 6.729 -14.913 2.763 1.00 0.00 H new ATOM 0 HB3 ALA A 5 5.106 -14.721 2.059 1.00 0.00 H new ATOM 48 N ILE A 6 3.626 -11.965 3.063 1.00 0.00 N ATOM 49 CA ILE A 6 2.641 -11.023 2.557 1.00 0.00 C ATOM 50 C ILE A 6 2.724 -9.725 3.360 1.00 0.00 C ATOM 51 O ILE A 6 2.765 -8.637 2.788 1.00 0.00 O ATOM 52 CB ILE A 6 1.248 -11.657 2.552 1.00 0.00 C ATOM 53 CG1 ILE A 6 0.989 -12.402 1.242 1.00 0.00 C ATOM 54 CG2 ILE A 6 0.170 -10.609 2.839 1.00 0.00 C ATOM 55 CD1 ILE A 6 -0.317 -13.197 1.311 1.00 0.00 C ATOM 0 H ILE A 6 3.285 -12.584 3.798 1.00 0.00 H new ATOM 0 HA ILE A 6 2.854 -10.769 1.519 1.00 0.00 H new ATOM 0 HB ILE A 6 1.204 -12.394 3.354 1.00 0.00 H new ATOM 0 HG12 ILE A 6 0.942 -11.690 0.418 1.00 0.00 H new ATOM 0 HG13 ILE A 6 1.819 -13.077 1.033 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -0.811 -11.084 2.830 1.00 0.00 H new ATOM 0 HG22 ILE A 6 0.348 -10.162 3.817 1.00 0.00 H new ATOM 0 HG23 ILE A 6 0.204 -9.833 2.074 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -0.477 -13.717 0.366 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -0.258 -13.925 2.120 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -1.148 -12.516 1.495 1.00 0.00 H new ATOM 67 N LYS A 7 2.746 -9.881 4.676 1.00 0.00 N ATOM 68 CA LYS A 7 2.824 -8.734 5.565 1.00 0.00 C ATOM 69 C LYS A 7 4.176 -8.042 5.381 1.00 0.00 C ATOM 70 O LYS A 7 4.268 -6.818 5.465 1.00 0.00 O ATOM 71 CB LYS A 7 2.539 -9.154 7.008 1.00 0.00 C ATOM 72 CG LYS A 7 1.644 -8.130 7.710 1.00 0.00 C ATOM 73 CD LYS A 7 2.478 -7.004 8.326 1.00 0.00 C ATOM 74 CE LYS A 7 3.250 -7.500 9.551 1.00 0.00 C ATOM 75 NZ LYS A 7 4.607 -6.911 9.581 1.00 0.00 N ATOM 0 H LYS A 7 2.711 -10.785 5.148 1.00 0.00 H new ATOM 0 HA LYS A 7 2.055 -8.004 5.313 1.00 0.00 H new ATOM 0 HB2 LYS A 7 2.056 -10.131 7.018 1.00 0.00 H new ATOM 0 HB3 LYS A 7 3.477 -9.256 7.553 1.00 0.00 H new ATOM 0 HG2 LYS A 7 0.934 -7.713 6.996 1.00 0.00 H new ATOM 0 HG3 LYS A 7 1.062 -8.623 8.488 1.00 0.00 H new ATOM 0 HD2 LYS A 7 3.176 -6.616 7.584 1.00 0.00 H new ATOM 0 HD3 LYS A 7 1.826 -6.179 8.612 1.00 0.00 H new ATOM 0 HE2 LYS A 7 2.711 -7.234 10.460 1.00 0.00 H new ATOM 0 HE3 LYS A 7 3.319 -8.588 9.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 5.117 -7.258 10.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 5.124 -7.186 8.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 4.535 -5.874 9.624 1.00 0.00 H new ATOM 89 N ASN A 8 5.192 -8.855 5.133 1.00 0.00 N ATOM 90 CA ASN A 8 6.534 -8.337 4.936 1.00 0.00 C ATOM 91 C ASN A 8 6.643 -7.729 3.536 1.00 0.00 C ATOM 92 O ASN A 8 7.067 -6.585 3.383 1.00 0.00 O ATOM 93 CB ASN A 8 7.578 -9.450 5.050 1.00 0.00 C ATOM 94 CG ASN A 8 8.945 -8.883 5.439 1.00 0.00 C ATOM 95 OD1 ASN A 8 9.189 -7.689 5.384 1.00 0.00 O ATOM 96 ND2 ASN A 8 9.820 -9.804 5.832 1.00 0.00 N ATOM 0 H ASN A 8 5.112 -9.870 5.064 1.00 0.00 H new ATOM 0 HA ASN A 8 6.720 -7.587 5.705 1.00 0.00 H new ATOM 0 HB2 ASN A 8 7.258 -10.179 5.794 1.00 0.00 H new ATOM 0 HB3 ASN A 8 7.657 -9.978 4.100 1.00 0.00 H new ATOM 0 HD21 ASN A 8 10.761 -9.527 6.111 1.00 0.00 H new ATOM 0 HD22 ASN A 8 9.550 -10.787 5.855 1.00 0.00 H new ATOM 103 N GLY A 9 6.251 -8.523 2.550 1.00 0.00 N ATOM 104 CA GLY A 9 6.299 -8.078 1.167 1.00 0.00 C ATOM 105 C GLY A 9 5.496 -6.790 0.979 1.00 0.00 C ATOM 106 O GLY A 9 5.931 -5.881 0.273 1.00 0.00 O ATOM 0 H GLY A 9 5.899 -9.471 2.681 1.00 0.00 H new ATOM 0 HA2 GLY A 9 7.335 -7.912 0.870 1.00 0.00 H new ATOM 0 HA3 GLY A 9 5.902 -8.857 0.516 1.00 0.00 H new ATOM 110 N VAL A 10 4.338 -6.752 1.621 1.00 0.00 N ATOM 111 CA VAL A 10 3.471 -5.590 1.532 1.00 0.00 C ATOM 112 C VAL A 10 4.186 -4.378 2.133 1.00 0.00 C ATOM 113 O VAL A 10 4.167 -3.292 1.556 1.00 0.00 O ATOM 114 CB VAL A 10 2.129 -5.886 2.205 1.00 0.00 C ATOM 115 CG1 VAL A 10 1.369 -4.592 2.505 1.00 0.00 C ATOM 116 CG2 VAL A 10 1.284 -6.832 1.349 1.00 0.00 C ATOM 0 H VAL A 10 3.980 -7.508 2.205 1.00 0.00 H new ATOM 0 HA VAL A 10 3.253 -5.355 0.490 1.00 0.00 H new ATOM 0 HB VAL A 10 2.332 -6.383 3.154 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.419 -4.831 2.983 1.00 0.00 H new ATOM 0 HG12 VAL A 10 1.964 -3.967 3.171 1.00 0.00 H new ATOM 0 HG13 VAL A 10 1.182 -4.056 1.575 1.00 0.00 H new ATOM 0 HG21 VAL A 10 0.336 -7.026 1.850 1.00 0.00 H new ATOM 0 HG22 VAL A 10 1.095 -6.373 0.378 1.00 0.00 H new ATOM 0 HG23 VAL A 10 1.819 -7.771 1.208 1.00 0.00 H new ATOM 126 N LEU A 11 4.800 -4.605 3.285 1.00 0.00 N ATOM 127 CA LEU A 11 5.520 -3.544 3.970 1.00 0.00 C ATOM 128 C LEU A 11 6.786 -3.202 3.182 1.00 0.00 C ATOM 129 O LEU A 11 7.222 -2.051 3.173 1.00 0.00 O ATOM 130 CB LEU A 11 5.788 -3.934 5.426 1.00 0.00 C ATOM 131 CG LEU A 11 5.292 -2.949 6.486 1.00 0.00 C ATOM 132 CD1 LEU A 11 6.022 -3.158 7.814 1.00 0.00 C ATOM 133 CD2 LEU A 11 5.407 -1.506 5.990 1.00 0.00 C ATOM 0 H LEU A 11 4.814 -5.507 3.761 1.00 0.00 H new ATOM 0 HA LEU A 11 4.916 -2.638 4.012 1.00 0.00 H new ATOM 0 HB2 LEU A 11 5.324 -4.903 5.613 1.00 0.00 H new ATOM 0 HB3 LEU A 11 6.862 -4.065 5.554 1.00 0.00 H new ATOM 0 HG LEU A 11 4.235 -3.145 6.666 1.00 0.00 H new ATOM 0 HD11 LEU A 11 5.650 -2.445 8.550 1.00 0.00 H new ATOM 0 HD12 LEU A 11 5.845 -4.173 8.171 1.00 0.00 H new ATOM 0 HD13 LEU A 11 7.092 -3.006 7.669 1.00 0.00 H new ATOM 0 HD21 LEU A 11 5.048 -0.826 6.762 1.00 0.00 H new ATOM 0 HD22 LEU A 11 6.449 -1.281 5.764 1.00 0.00 H new ATOM 0 HD23 LEU A 11 4.806 -1.382 5.089 1.00 0.00 H new ATOM 145 N ASP A 12 7.338 -4.220 2.540 1.00 0.00 N ATOM 146 CA ASP A 12 8.545 -4.041 1.750 1.00 0.00 C ATOM 147 C ASP A 12 8.202 -3.274 0.471 1.00 0.00 C ATOM 148 O ASP A 12 9.034 -2.536 -0.056 1.00 0.00 O ATOM 149 CB ASP A 12 9.145 -5.388 1.347 1.00 0.00 C ATOM 150 CG ASP A 12 10.673 -5.420 1.273 1.00 0.00 C ATOM 151 OD1 ASP A 12 11.290 -4.516 1.878 1.00 0.00 O ATOM 152 OD2 ASP A 12 11.190 -6.347 0.612 1.00 0.00 O ATOM 0 H ASP A 12 6.972 -5.172 2.550 1.00 0.00 H new ATOM 0 HA ASP A 12 9.266 -3.493 2.356 1.00 0.00 H new ATOM 0 HB2 ASP A 12 8.815 -6.143 2.060 1.00 0.00 H new ATOM 0 HB3 ASP A 12 8.743 -5.671 0.374 1.00 0.00 H new ATOM 157 N ILE A 13 6.978 -3.475 0.008 1.00 0.00 N ATOM 158 CA ILE A 13 6.515 -2.812 -1.199 1.00 0.00 C ATOM 159 C ILE A 13 6.103 -1.378 -0.863 1.00 0.00 C ATOM 160 O ILE A 13 6.010 -0.530 -1.749 1.00 0.00 O ATOM 161 CB ILE A 13 5.409 -3.629 -1.870 1.00 0.00 C ATOM 162 CG1 ILE A 13 5.995 -4.636 -2.861 1.00 0.00 C ATOM 163 CG2 ILE A 13 4.373 -2.715 -2.525 1.00 0.00 C ATOM 164 CD1 ILE A 13 5.182 -5.932 -2.873 1.00 0.00 C ATOM 0 H ILE A 13 6.292 -4.088 0.447 1.00 0.00 H new ATOM 0 HA ILE A 13 7.320 -2.749 -1.931 1.00 0.00 H new ATOM 0 HB ILE A 13 4.892 -4.201 -1.100 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.008 -4.202 -3.861 1.00 0.00 H new ATOM 0 HG13 ILE A 13 7.029 -4.854 -2.594 1.00 0.00 H new ATOM 0 HG21 ILE A 13 3.598 -3.321 -2.995 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.923 -2.074 -1.767 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.859 -2.098 -3.281 1.00 0.00 H new ATOM 0 HD11 ILE A 13 5.621 -6.630 -3.586 1.00 0.00 H new ATOM 0 HD12 ILE A 13 5.191 -6.376 -1.878 1.00 0.00 H new ATOM 0 HD13 ILE A 13 4.154 -5.714 -3.164 1.00 0.00 H new ATOM 176 N LEU A 14 5.866 -1.150 0.421 1.00 0.00 N ATOM 177 CA LEU A 14 5.465 0.166 0.886 1.00 0.00 C ATOM 178 C LEU A 14 6.703 1.056 1.013 1.00 0.00 C ATOM 179 O LEU A 14 6.781 2.111 0.386 1.00 0.00 O ATOM 180 CB LEU A 14 4.652 0.054 2.177 1.00 0.00 C ATOM 181 CG LEU A 14 3.132 0.120 2.021 1.00 0.00 C ATOM 182 CD1 LEU A 14 2.666 1.556 1.777 1.00 0.00 C ATOM 183 CD2 LEU A 14 2.652 -0.834 0.924 1.00 0.00 C ATOM 0 H LEU A 14 5.944 -1.855 1.154 1.00 0.00 H new ATOM 0 HA LEU A 14 4.804 0.641 0.161 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.907 -0.888 2.663 1.00 0.00 H new ATOM 0 HB3 LEU A 14 4.963 0.854 2.849 1.00 0.00 H new ATOM 0 HG LEU A 14 2.678 -0.209 2.956 1.00 0.00 H new ATOM 0 HD11 LEU A 14 1.581 1.573 1.670 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.957 2.181 2.621 1.00 0.00 H new ATOM 0 HD13 LEU A 14 3.127 1.938 0.866 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.568 -0.768 0.833 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.113 -0.559 -0.025 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.933 -1.855 1.181 1.00 0.00 H new ATOM 195 N ALA A 15 7.640 0.598 1.832 1.00 0.00 N ATOM 196 CA ALA A 15 8.870 1.340 2.050 1.00 0.00 C ATOM 197 C ALA A 15 9.546 1.605 0.703 1.00 0.00 C ATOM 198 O ALA A 15 10.136 2.665 0.499 1.00 0.00 O ATOM 199 CB ALA A 15 9.772 0.562 3.011 1.00 0.00 C ATOM 0 H ALA A 15 7.572 -0.277 2.352 1.00 0.00 H new ATOM 0 HA ALA A 15 8.659 2.306 2.509 1.00 0.00 H new ATOM 0 HB1 ALA A 15 10.695 1.118 3.175 1.00 0.00 H new ATOM 0 HB2 ALA A 15 9.258 0.425 3.962 1.00 0.00 H new ATOM 0 HB3 ALA A 15 10.007 -0.412 2.582 1.00 0.00 H new ATOM 205 N ASP A 16 9.437 0.625 -0.182 1.00 0.00 N ATOM 206 CA ASP A 16 10.031 0.739 -1.503 1.00 0.00 C ATOM 207 C ASP A 16 9.270 1.794 -2.309 1.00 0.00 C ATOM 208 O ASP A 16 9.864 2.522 -3.103 1.00 0.00 O ATOM 209 CB ASP A 16 9.947 -0.587 -2.262 1.00 0.00 C ATOM 210 CG ASP A 16 10.563 -0.571 -3.662 1.00 0.00 C ATOM 211 OD1 ASP A 16 11.800 -0.411 -3.735 1.00 0.00 O ATOM 212 OD2 ASP A 16 9.783 -0.719 -4.627 1.00 0.00 O ATOM 0 H ASP A 16 8.946 -0.252 -0.010 1.00 0.00 H new ATOM 0 HA ASP A 16 11.078 1.017 -1.379 1.00 0.00 H new ATOM 0 HB2 ASP A 16 10.443 -1.358 -1.672 1.00 0.00 H new ATOM 0 HB3 ASP A 16 8.899 -0.875 -2.346 1.00 0.00 H new ATOM 217 N LEU A 17 7.966 1.843 -2.077 1.00 0.00 N ATOM 218 CA LEU A 17 7.118 2.796 -2.772 1.00 0.00 C ATOM 219 C LEU A 17 7.568 4.218 -2.429 1.00 0.00 C ATOM 220 O LEU A 17 7.893 5.002 -3.320 1.00 0.00 O ATOM 221 CB LEU A 17 5.644 2.527 -2.462 1.00 0.00 C ATOM 222 CG LEU A 17 4.816 1.935 -3.605 1.00 0.00 C ATOM 223 CD1 LEU A 17 3.439 1.488 -3.110 1.00 0.00 C ATOM 224 CD2 LEU A 17 4.714 2.917 -4.774 1.00 0.00 C ATOM 0 H LEU A 17 7.477 1.238 -1.418 1.00 0.00 H new ATOM 0 HA LEU A 17 7.220 2.680 -3.851 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.590 1.848 -1.611 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.181 3.464 -2.152 1.00 0.00 H new ATOM 0 HG LEU A 17 5.329 1.047 -3.974 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.871 1.071 -3.942 1.00 0.00 H new ATOM 0 HD12 LEU A 17 3.559 0.730 -2.336 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.905 2.344 -2.699 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.121 2.472 -5.573 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.236 3.836 -4.436 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.713 3.143 -5.147 1.00 0.00 H new ATOM 236 N THR A 18 7.575 4.507 -1.136 1.00 0.00 N ATOM 237 CA THR A 18 7.980 5.820 -0.665 1.00 0.00 C ATOM 238 C THR A 18 9.489 6.006 -0.837 1.00 0.00 C ATOM 239 O THR A 18 9.933 7.007 -1.398 1.00 0.00 O ATOM 240 CB THR A 18 7.512 5.967 0.785 1.00 0.00 C ATOM 241 OG1 THR A 18 8.378 5.106 1.519 1.00 0.00 O ATOM 242 CG2 THR A 18 6.119 5.376 1.013 1.00 0.00 C ATOM 0 H THR A 18 7.307 3.854 -0.400 1.00 0.00 H new ATOM 0 HA THR A 18 7.517 6.612 -1.254 1.00 0.00 H new ATOM 0 HB THR A 18 7.509 7.022 1.060 1.00 0.00 H new ATOM 0 HG1 THR A 18 8.145 5.142 2.470 1.00 0.00 H new ATOM 0 HG21 THR A 18 5.835 5.506 2.057 1.00 0.00 H new ATOM 0 HG22 THR A 18 5.398 5.886 0.374 1.00 0.00 H new ATOM 0 HG23 THR A 18 6.130 4.313 0.770 1.00 0.00 H new ATOM 250 N GLY A 19 10.234 5.027 -0.346 1.00 0.00 N ATOM 251 CA GLY A 19 11.683 5.071 -0.439 1.00 0.00 C ATOM 252 C GLY A 19 12.315 5.306 0.935 1.00 0.00 C ATOM 253 O GLY A 19 13.533 5.434 1.048 1.00 0.00 O ATOM 0 H GLY A 19 9.861 4.198 0.118 1.00 0.00 H new ATOM 0 HA2 GLY A 19 12.052 4.135 -0.858 1.00 0.00 H new ATOM 0 HA3 GLY A 19 11.983 5.866 -1.122 1.00 0.00 H new ATOM 257 N SER A 20 11.457 5.355 1.944 1.00 0.00 N ATOM 258 CA SER A 20 11.915 5.572 3.305 1.00 0.00 C ATOM 259 C SER A 20 11.472 4.411 4.198 1.00 0.00 C ATOM 260 O SER A 20 10.576 3.651 3.834 1.00 0.00 O ATOM 261 CB SER A 20 11.390 6.898 3.858 1.00 0.00 C ATOM 262 OG SER A 20 12.425 7.865 4.001 1.00 0.00 O ATOM 0 H SER A 20 10.447 5.248 1.846 1.00 0.00 H new ATOM 0 HA SER A 20 13.004 5.619 3.296 1.00 0.00 H new ATOM 0 HB2 SER A 20 10.619 7.288 3.193 1.00 0.00 H new ATOM 0 HB3 SER A 20 10.919 6.726 4.826 1.00 0.00 H new ATOM 0 HG SER A 20 12.048 8.698 4.355 1.00 0.00 H new ATOM 268 N ASP A 21 12.119 4.312 5.349 1.00 0.00 N ATOM 269 CA ASP A 21 11.804 3.256 6.297 1.00 0.00 C ATOM 270 C ASP A 21 10.834 3.796 7.350 1.00 0.00 C ATOM 271 O ASP A 21 10.724 3.240 8.442 1.00 0.00 O ATOM 272 CB ASP A 21 13.061 2.769 7.018 1.00 0.00 C ATOM 273 CG ASP A 21 14.257 3.720 6.948 1.00 0.00 C ATOM 274 OD1 ASP A 21 14.174 4.785 7.597 1.00 0.00 O ATOM 275 OD2 ASP A 21 15.228 3.361 6.247 1.00 0.00 O ATOM 0 H ASP A 21 12.860 4.946 5.647 1.00 0.00 H new ATOM 0 HA ASP A 21 11.363 2.427 5.744 1.00 0.00 H new ATOM 0 HB2 ASP A 21 12.816 2.594 8.066 1.00 0.00 H new ATOM 0 HB3 ASP A 21 13.355 1.808 6.595 1.00 0.00 H new ATOM 280 N ASP A 22 10.156 4.875 6.986 1.00 0.00 N ATOM 281 CA ASP A 22 9.200 5.497 7.887 1.00 0.00 C ATOM 282 C ASP A 22 7.892 4.704 7.862 1.00 0.00 C ATOM 283 O ASP A 22 7.288 4.460 8.907 1.00 0.00 O ATOM 284 CB ASP A 22 8.890 6.932 7.456 1.00 0.00 C ATOM 285 CG ASP A 22 8.716 7.928 8.604 1.00 0.00 C ATOM 286 OD1 ASP A 22 8.575 7.452 9.752 1.00 0.00 O ATOM 287 OD2 ASP A 22 8.727 9.142 8.308 1.00 0.00 O ATOM 0 H ASP A 22 10.250 5.334 6.080 1.00 0.00 H new ATOM 0 HA ASP A 22 9.635 5.506 8.886 1.00 0.00 H new ATOM 0 HB2 ASP A 22 9.694 7.283 6.809 1.00 0.00 H new ATOM 0 HB3 ASP A 22 7.979 6.927 6.858 1.00 0.00 H new ATOM 292 N VAL A 23 7.492 4.320 6.658 1.00 0.00 N ATOM 293 CA VAL A 23 6.266 3.559 6.484 1.00 0.00 C ATOM 294 C VAL A 23 6.533 2.090 6.813 1.00 0.00 C ATOM 295 O VAL A 23 5.600 1.298 6.939 1.00 0.00 O ATOM 296 CB VAL A 23 5.719 3.765 5.070 1.00 0.00 C ATOM 297 CG1 VAL A 23 6.632 3.114 4.028 1.00 0.00 C ATOM 298 CG2 VAL A 23 4.289 3.236 4.953 1.00 0.00 C ATOM 0 H VAL A 23 7.995 4.522 5.794 1.00 0.00 H new ATOM 0 HA VAL A 23 5.496 3.912 7.171 1.00 0.00 H new ATOM 0 HB VAL A 23 5.697 4.837 4.873 1.00 0.00 H new ATOM 0 HG11 VAL A 23 6.220 3.275 3.032 1.00 0.00 H new ATOM 0 HG12 VAL A 23 7.625 3.559 4.086 1.00 0.00 H new ATOM 0 HG13 VAL A 23 6.701 2.044 4.223 1.00 0.00 H new ATOM 0 HG21 VAL A 23 3.924 3.395 3.938 1.00 0.00 H new ATOM 0 HG22 VAL A 23 4.276 2.170 5.181 1.00 0.00 H new ATOM 0 HG23 VAL A 23 3.646 3.765 5.657 1.00 0.00 H new ATOM 308 N LYS A 24 7.812 1.768 6.943 1.00 0.00 N ATOM 309 CA LYS A 24 8.213 0.407 7.255 1.00 0.00 C ATOM 310 C LYS A 24 7.797 0.073 8.689 1.00 0.00 C ATOM 311 O LYS A 24 7.389 -1.052 8.976 1.00 0.00 O ATOM 312 CB LYS A 24 9.708 0.213 6.989 1.00 0.00 C ATOM 313 CG LYS A 24 10.161 -1.191 7.394 1.00 0.00 C ATOM 314 CD LYS A 24 11.669 -1.229 7.643 1.00 0.00 C ATOM 315 CE LYS A 24 12.139 -2.654 7.946 1.00 0.00 C ATOM 316 NZ LYS A 24 13.567 -2.658 8.332 1.00 0.00 N ATOM 0 H LYS A 24 8.584 2.427 6.838 1.00 0.00 H new ATOM 0 HA LYS A 24 7.702 -0.299 6.601 1.00 0.00 H new ATOM 0 HB2 LYS A 24 9.917 0.375 5.931 1.00 0.00 H new ATOM 0 HB3 LYS A 24 10.279 0.957 7.544 1.00 0.00 H new ATOM 0 HG2 LYS A 24 9.632 -1.502 8.295 1.00 0.00 H new ATOM 0 HG3 LYS A 24 9.900 -1.902 6.610 1.00 0.00 H new ATOM 0 HD2 LYS A 24 12.195 -0.847 6.768 1.00 0.00 H new ATOM 0 HD3 LYS A 24 11.920 -0.574 8.477 1.00 0.00 H new ATOM 0 HE2 LYS A 24 11.538 -3.078 8.750 1.00 0.00 H new ATOM 0 HE3 LYS A 24 11.991 -3.286 7.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 13.869 -3.632 8.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 14.138 -2.273 7.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 13.699 -2.072 9.181 1.00 0.00 H new ATOM 330 N LYS A 25 7.914 1.071 9.553 1.00 0.00 N ATOM 331 CA LYS A 25 7.555 0.897 10.951 1.00 0.00 C ATOM 332 C LYS A 25 6.151 1.458 11.185 1.00 0.00 C ATOM 333 O LYS A 25 5.341 0.844 11.878 1.00 0.00 O ATOM 334 CB LYS A 25 8.622 1.512 11.858 1.00 0.00 C ATOM 335 CG LYS A 25 8.616 3.039 11.756 1.00 0.00 C ATOM 336 CD LYS A 25 7.611 3.650 12.735 1.00 0.00 C ATOM 337 CE LYS A 25 8.299 4.632 13.684 1.00 0.00 C ATOM 338 NZ LYS A 25 7.576 4.700 14.974 1.00 0.00 N ATOM 0 H LYS A 25 8.252 2.003 9.312 1.00 0.00 H new ATOM 0 HA LYS A 25 7.523 -0.162 11.208 1.00 0.00 H new ATOM 0 HB2 LYS A 25 8.443 1.212 12.891 1.00 0.00 H new ATOM 0 HB3 LYS A 25 9.604 1.129 11.581 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.614 3.425 11.965 1.00 0.00 H new ATOM 0 HG3 LYS A 25 8.366 3.338 10.738 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.825 4.164 12.182 1.00 0.00 H new ATOM 0 HD3 LYS A 25 7.131 2.858 13.310 1.00 0.00 H new ATOM 0 HE2 LYS A 25 9.330 4.321 13.854 1.00 0.00 H new ATOM 0 HE3 LYS A 25 8.336 5.622 13.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 8.057 5.371 15.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.600 5.018 14.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 7.563 3.758 15.415 1.00 0.00 H new ATOM 352 N ASN A 26 5.905 2.619 10.595 1.00 0.00 N ATOM 353 CA ASN A 26 4.613 3.269 10.731 1.00 0.00 C ATOM 354 C ASN A 26 3.551 2.440 10.006 1.00 0.00 C ATOM 355 O ASN A 26 3.804 1.908 8.927 1.00 0.00 O ATOM 356 CB ASN A 26 4.631 4.665 10.106 1.00 0.00 C ATOM 357 CG ASN A 26 5.368 5.659 11.006 1.00 0.00 C ATOM 358 OD1 ASN A 26 5.021 5.870 12.156 1.00 0.00 O ATOM 359 ND2 ASN A 26 6.401 6.257 10.420 1.00 0.00 N ATOM 0 H ASN A 26 6.579 3.126 10.022 1.00 0.00 H new ATOM 0 HA ASN A 26 4.388 3.353 11.794 1.00 0.00 H new ATOM 0 HB2 ASN A 26 5.115 4.624 9.130 1.00 0.00 H new ATOM 0 HB3 ASN A 26 3.609 5.007 9.941 1.00 0.00 H new ATOM 0 HD21 ASN A 26 6.957 6.938 10.937 1.00 0.00 H new ATOM 0 HD22 ASN A 26 6.638 6.034 9.453 1.00 0.00 H new ATOM 366 N LEU A 27 2.385 2.356 10.629 1.00 0.00 N ATOM 367 CA LEU A 27 1.283 1.601 10.056 1.00 0.00 C ATOM 368 C LEU A 27 0.082 2.528 9.860 1.00 0.00 C ATOM 369 O LEU A 27 -1.064 2.097 9.968 1.00 0.00 O ATOM 370 CB LEU A 27 0.976 0.370 10.911 1.00 0.00 C ATOM 371 CG LEU A 27 1.969 -0.788 10.799 1.00 0.00 C ATOM 372 CD1 LEU A 27 1.951 -1.649 12.064 1.00 0.00 C ATOM 373 CD2 LEU A 27 1.705 -1.616 9.540 1.00 0.00 C ATOM 0 H LEU A 27 2.179 2.798 11.525 1.00 0.00 H new ATOM 0 HA LEU A 27 1.554 1.218 9.072 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.926 0.680 11.955 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.014 0.002 10.640 1.00 0.00 H new ATOM 0 HG LEU A 27 2.972 -0.371 10.707 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.666 -2.465 11.959 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.223 -1.037 12.924 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.952 -2.059 12.211 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.425 -2.433 9.484 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.695 -2.024 9.578 1.00 0.00 H new ATOM 0 HD23 LEU A 27 1.807 -0.982 8.659 1.00 0.00 H new ATOM 385 N ASP A 28 0.386 3.787 9.576 1.00 0.00 N ATOM 386 CA ASP A 28 -0.654 4.779 9.364 1.00 0.00 C ATOM 387 C ASP A 28 -0.030 6.049 8.782 1.00 0.00 C ATOM 388 O ASP A 28 -0.510 7.153 9.035 1.00 0.00 O ATOM 389 CB ASP A 28 -1.339 5.149 10.681 1.00 0.00 C ATOM 390 CG ASP A 28 -2.856 4.955 10.697 1.00 0.00 C ATOM 391 OD1 ASP A 28 -3.547 5.831 10.133 1.00 0.00 O ATOM 392 OD2 ASP A 28 -3.292 3.936 11.273 1.00 0.00 O ATOM 0 H ASP A 28 1.338 4.142 9.488 1.00 0.00 H new ATOM 0 HA ASP A 28 -1.391 4.355 8.681 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -0.903 4.550 11.481 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -1.119 6.192 10.907 1.00 0.00 H new ATOM 397 N LEU A 29 1.030 5.850 8.013 1.00 0.00 N ATOM 398 CA LEU A 29 1.725 6.966 7.393 1.00 0.00 C ATOM 399 C LEU A 29 0.986 7.377 6.119 1.00 0.00 C ATOM 400 O LEU A 29 1.245 6.835 5.045 1.00 0.00 O ATOM 401 CB LEU A 29 3.199 6.621 7.166 1.00 0.00 C ATOM 402 CG LEU A 29 4.118 7.797 6.829 1.00 0.00 C ATOM 403 CD1 LEU A 29 4.207 8.777 8.000 1.00 0.00 C ATOM 404 CD2 LEU A 29 5.498 7.304 6.388 1.00 0.00 C ATOM 0 H LEU A 29 1.425 4.933 7.805 1.00 0.00 H new ATOM 0 HA LEU A 29 1.723 7.831 8.056 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.580 6.133 8.063 1.00 0.00 H new ATOM 0 HB3 LEU A 29 3.261 5.893 6.357 1.00 0.00 H new ATOM 0 HG LEU A 29 3.685 8.339 5.988 1.00 0.00 H new ATOM 0 HD11 LEU A 29 4.866 9.603 7.734 1.00 0.00 H new ATOM 0 HD12 LEU A 29 3.214 9.164 8.227 1.00 0.00 H new ATOM 0 HD13 LEU A 29 4.605 8.263 8.875 1.00 0.00 H new ATOM 0 HD21 LEU A 29 6.132 8.159 6.154 1.00 0.00 H new ATOM 0 HD22 LEU A 29 5.952 6.725 7.192 1.00 0.00 H new ATOM 0 HD23 LEU A 29 5.394 6.676 5.503 1.00 0.00 H new ATOM 416 N ASN A 30 0.080 8.330 6.278 1.00 0.00 N ATOM 417 CA ASN A 30 -0.698 8.819 5.152 1.00 0.00 C ATOM 418 C ASN A 30 0.208 8.939 3.926 1.00 0.00 C ATOM 419 O ASN A 30 0.909 9.938 3.763 1.00 0.00 O ATOM 420 CB ASN A 30 -1.282 10.202 5.447 1.00 0.00 C ATOM 421 CG ASN A 30 -2.812 10.169 5.413 1.00 0.00 C ATOM 422 OD1 ASN A 30 -3.456 10.837 4.621 1.00 0.00 O ATOM 423 ND2 ASN A 30 -3.355 9.358 6.317 1.00 0.00 N ATOM 0 H ASN A 30 -0.133 8.777 7.170 1.00 0.00 H new ATOM 0 HA ASN A 30 -1.511 8.115 4.971 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -0.944 10.543 6.426 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -0.914 10.920 4.715 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -4.369 9.267 6.377 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -2.757 8.827 6.950 1.00 0.00 H new ATOM 430 N LEU A 31 0.164 7.909 3.093 1.00 0.00 N ATOM 431 CA LEU A 31 0.972 7.887 1.886 1.00 0.00 C ATOM 432 C LEU A 31 0.615 9.094 1.016 1.00 0.00 C ATOM 433 O LEU A 31 1.369 9.461 0.117 1.00 0.00 O ATOM 434 CB LEU A 31 0.824 6.546 1.167 1.00 0.00 C ATOM 435 CG LEU A 31 1.041 5.297 2.024 1.00 0.00 C ATOM 436 CD1 LEU A 31 0.158 4.143 1.547 1.00 0.00 C ATOM 437 CD2 LEU A 31 2.521 4.908 2.062 1.00 0.00 C ATOM 0 H LEU A 31 -0.419 7.084 3.231 1.00 0.00 H new ATOM 0 HA LEU A 31 2.030 7.974 2.134 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.175 6.497 0.735 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.531 6.521 0.338 1.00 0.00 H new ATOM 0 HG LEU A 31 0.742 5.529 3.046 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.333 3.268 2.174 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.890 4.435 1.615 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.401 3.902 0.512 1.00 0.00 H new ATOM 0 HD21 LEU A 31 2.647 4.017 2.678 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.869 4.702 1.050 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.102 5.727 2.486 1.00 0.00 H new ATOM 449 N PHE A 32 -0.536 9.678 1.315 1.00 0.00 N ATOM 450 CA PHE A 32 -1.003 10.836 0.571 1.00 0.00 C ATOM 451 C PHE A 32 -0.595 12.136 1.268 1.00 0.00 C ATOM 452 O PHE A 32 0.058 12.988 0.666 1.00 0.00 O ATOM 453 CB PHE A 32 -2.530 10.753 0.527 1.00 0.00 C ATOM 454 CG PHE A 32 -3.089 10.285 -0.819 1.00 0.00 C ATOM 455 CD1 PHE A 32 -3.007 8.974 -1.170 1.00 0.00 C ATOM 456 CD2 PHE A 32 -3.667 11.181 -1.663 1.00 0.00 C ATOM 457 CE1 PHE A 32 -3.526 8.540 -2.418 1.00 0.00 C ATOM 458 CE2 PHE A 32 -4.186 10.747 -2.911 1.00 0.00 C ATOM 459 CZ PHE A 32 -4.104 9.435 -3.262 1.00 0.00 C ATOM 0 H PHE A 32 -1.159 9.371 2.062 1.00 0.00 H new ATOM 0 HA PHE A 32 -0.566 10.838 -0.428 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.869 10.071 1.307 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -2.944 11.734 0.759 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -2.547 8.263 -0.500 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -3.731 12.222 -1.384 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -3.462 7.499 -2.697 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -4.646 11.458 -3.582 1.00 0.00 H new ATOM 0 HZ PHE A 32 -4.498 9.105 -4.212 1.00 0.00 H new ATOM 469 N GLU A 33 -0.996 12.247 2.525 1.00 0.00 N ATOM 470 CA GLU A 33 -0.680 13.429 3.310 1.00 0.00 C ATOM 471 C GLU A 33 0.826 13.506 3.570 1.00 0.00 C ATOM 472 O GLU A 33 1.325 14.524 4.046 1.00 0.00 O ATOM 473 CB GLU A 33 -1.465 13.441 4.623 1.00 0.00 C ATOM 474 CG GLU A 33 -1.940 14.855 4.965 1.00 0.00 C ATOM 475 CD GLU A 33 -2.450 14.929 6.405 1.00 0.00 C ATOM 476 OE1 GLU A 33 -3.407 14.185 6.708 1.00 0.00 O ATOM 477 OE2 GLU A 33 -1.869 15.727 7.173 1.00 0.00 O ATOM 0 H GLU A 33 -1.537 11.538 3.020 1.00 0.00 H new ATOM 0 HA GLU A 33 -0.976 14.310 2.740 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -2.324 12.774 4.544 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.838 13.059 5.429 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -1.120 15.561 4.829 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.733 15.152 4.279 1.00 0.00 H new ATOM 484 N THR A 34 1.506 12.417 3.246 1.00 0.00 N ATOM 485 CA THR A 34 2.945 12.348 3.440 1.00 0.00 C ATOM 486 C THR A 34 3.674 12.682 2.137 1.00 0.00 C ATOM 487 O THR A 34 4.875 12.950 2.143 1.00 0.00 O ATOM 488 CB THR A 34 3.283 10.960 3.986 1.00 0.00 C ATOM 489 OG1 THR A 34 2.574 10.890 5.221 1.00 0.00 O ATOM 490 CG2 THR A 34 4.753 10.833 4.394 1.00 0.00 C ATOM 0 H THR A 34 1.088 11.575 2.850 1.00 0.00 H new ATOM 0 HA THR A 34 3.283 13.089 4.165 1.00 0.00 H new ATOM 0 HB THR A 34 3.048 10.207 3.233 1.00 0.00 H new ATOM 0 HG1 THR A 34 1.677 10.528 5.063 1.00 0.00 H new ATOM 0 HG21 THR A 34 4.940 9.829 4.775 1.00 0.00 H new ATOM 0 HG22 THR A 34 5.388 11.016 3.527 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.979 11.563 5.171 1.00 0.00 H new ATOM 498 N GLY A 35 2.918 12.656 1.049 1.00 0.00 N ATOM 499 CA GLY A 35 3.477 12.952 -0.259 1.00 0.00 C ATOM 500 C GLY A 35 4.535 11.918 -0.650 1.00 0.00 C ATOM 501 O GLY A 35 5.261 12.106 -1.625 1.00 0.00 O ATOM 0 H GLY A 35 1.922 12.434 1.047 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.682 12.963 -1.004 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.921 13.947 -0.252 1.00 0.00 H new ATOM 505 N LEU A 36 4.590 10.850 0.131 1.00 0.00 N ATOM 506 CA LEU A 36 5.547 9.786 -0.120 1.00 0.00 C ATOM 507 C LEU A 36 5.171 9.063 -1.415 1.00 0.00 C ATOM 508 O LEU A 36 5.975 8.316 -1.970 1.00 0.00 O ATOM 509 CB LEU A 36 5.651 8.860 1.093 1.00 0.00 C ATOM 510 CG LEU A 36 6.783 9.167 2.076 1.00 0.00 C ATOM 511 CD1 LEU A 36 6.860 8.104 3.172 1.00 0.00 C ATOM 512 CD2 LEU A 36 8.116 9.333 1.343 1.00 0.00 C ATOM 0 H LEU A 36 3.987 10.698 0.939 1.00 0.00 H new ATOM 0 HA LEU A 36 6.546 10.199 -0.263 1.00 0.00 H new ATOM 0 HB2 LEU A 36 4.706 8.896 1.635 1.00 0.00 H new ATOM 0 HB3 LEU A 36 5.774 7.838 0.735 1.00 0.00 H new ATOM 0 HG LEU A 36 6.564 10.117 2.564 1.00 0.00 H new ATOM 0 HD11 LEU A 36 7.673 8.346 3.857 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.918 8.078 3.721 1.00 0.00 H new ATOM 0 HD13 LEU A 36 7.044 7.129 2.721 1.00 0.00 H new ATOM 0 HD21 LEU A 36 8.903 9.550 2.065 1.00 0.00 H new ATOM 0 HD22 LEU A 36 8.356 8.412 0.811 1.00 0.00 H new ATOM 0 HD23 LEU A 36 8.040 10.155 0.631 1.00 0.00 H new ATOM 524 N LEU A 37 3.947 9.310 -1.859 1.00 0.00 N ATOM 525 CA LEU A 37 3.453 8.692 -3.078 1.00 0.00 C ATOM 526 C LEU A 37 3.422 9.735 -4.197 1.00 0.00 C ATOM 527 O LEU A 37 3.564 10.930 -3.940 1.00 0.00 O ATOM 528 CB LEU A 37 2.103 8.017 -2.828 1.00 0.00 C ATOM 529 CG LEU A 37 2.068 6.498 -3.013 1.00 0.00 C ATOM 530 CD1 LEU A 37 0.722 5.923 -2.571 1.00 0.00 C ATOM 531 CD2 LEU A 37 2.410 6.114 -4.454 1.00 0.00 C ATOM 0 H LEU A 37 3.282 9.930 -1.396 1.00 0.00 H new ATOM 0 HA LEU A 37 4.125 7.897 -3.401 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.787 8.247 -1.810 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.367 8.462 -3.498 1.00 0.00 H new ATOM 0 HG LEU A 37 2.832 6.058 -2.372 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.724 4.842 -2.713 1.00 0.00 H new ATOM 0 HD12 LEU A 37 0.557 6.150 -1.518 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.076 6.366 -3.167 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.378 5.030 -4.559 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.686 6.566 -5.132 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.410 6.473 -4.699 1.00 0.00 H new ATOM 543 N ASP A 38 3.234 9.245 -5.413 1.00 0.00 N ATOM 544 CA ASP A 38 3.181 10.120 -6.573 1.00 0.00 C ATOM 545 C ASP A 38 1.894 9.849 -7.353 1.00 0.00 C ATOM 546 O ASP A 38 1.694 10.396 -8.436 1.00 0.00 O ATOM 547 CB ASP A 38 4.365 9.866 -7.509 1.00 0.00 C ATOM 548 CG ASP A 38 5.369 11.016 -7.609 1.00 0.00 C ATOM 549 OD1 ASP A 38 5.075 12.079 -7.020 1.00 0.00 O ATOM 550 OD2 ASP A 38 6.406 10.807 -8.274 1.00 0.00 O ATOM 0 H ASP A 38 3.116 8.253 -5.621 1.00 0.00 H new ATOM 0 HA ASP A 38 3.215 11.151 -6.220 1.00 0.00 H new ATOM 0 HB2 ASP A 38 4.891 8.973 -7.171 1.00 0.00 H new ATOM 0 HB3 ASP A 38 3.981 9.651 -8.506 1.00 0.00 H new ATOM 555 N SER A 39 1.055 9.004 -6.773 1.00 0.00 N ATOM 556 CA SER A 39 -0.208 8.653 -7.400 1.00 0.00 C ATOM 557 C SER A 39 -0.006 7.480 -8.361 1.00 0.00 C ATOM 558 O SER A 39 -0.766 6.513 -8.334 1.00 0.00 O ATOM 559 CB SER A 39 -0.805 9.851 -8.142 1.00 0.00 C ATOM 560 OG SER A 39 -2.226 9.774 -8.224 1.00 0.00 O ATOM 0 H SER A 39 1.225 8.552 -5.875 1.00 0.00 H new ATOM 0 HA SER A 39 -0.908 8.358 -6.619 1.00 0.00 H new ATOM 0 HB2 SER A 39 -0.521 10.772 -7.632 1.00 0.00 H new ATOM 0 HB3 SER A 39 -0.386 9.901 -9.147 1.00 0.00 H new ATOM 0 HG SER A 39 -2.569 10.557 -8.703 1.00 0.00 H new ATOM 566 N MET A 40 1.022 7.604 -9.188 1.00 0.00 N ATOM 567 CA MET A 40 1.333 6.566 -10.156 1.00 0.00 C ATOM 568 C MET A 40 1.906 5.327 -9.465 1.00 0.00 C ATOM 569 O MET A 40 1.805 4.218 -9.988 1.00 0.00 O ATOM 570 CB MET A 40 2.345 7.100 -11.171 1.00 0.00 C ATOM 571 CG MET A 40 1.707 7.256 -12.552 1.00 0.00 C ATOM 572 SD MET A 40 1.048 8.905 -12.738 1.00 0.00 S ATOM 573 CE MET A 40 -0.660 8.606 -12.316 1.00 0.00 C ATOM 0 H MET A 40 1.650 8.407 -9.208 1.00 0.00 H new ATOM 0 HA MET A 40 0.412 6.282 -10.665 1.00 0.00 H new ATOM 0 HB2 MET A 40 2.730 8.062 -10.834 1.00 0.00 H new ATOM 0 HB3 MET A 40 3.195 6.421 -11.234 1.00 0.00 H new ATOM 0 HG2 MET A 40 2.448 7.062 -13.328 1.00 0.00 H new ATOM 0 HG3 MET A 40 0.912 6.521 -12.679 1.00 0.00 H new ATOM 0 HE1 MET A 40 -1.220 9.539 -12.382 1.00 0.00 H new ATOM 0 HE2 MET A 40 -1.084 7.879 -13.009 1.00 0.00 H new ATOM 0 HE3 MET A 40 -0.721 8.217 -11.300 1.00 0.00 H new ATOM 583 N GLY A 41 2.497 5.558 -8.302 1.00 0.00 N ATOM 584 CA GLY A 41 3.088 4.474 -7.534 1.00 0.00 C ATOM 585 C GLY A 41 2.044 3.404 -7.205 1.00 0.00 C ATOM 586 O GLY A 41 2.313 2.210 -7.333 1.00 0.00 O ATOM 0 H GLY A 41 2.580 6.479 -7.872 1.00 0.00 H new ATOM 0 HA2 GLY A 41 3.907 4.027 -8.098 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.514 4.867 -6.611 1.00 0.00 H new ATOM 590 N THR A 42 0.877 3.870 -6.788 1.00 0.00 N ATOM 591 CA THR A 42 -0.208 2.968 -6.439 1.00 0.00 C ATOM 592 C THR A 42 -0.487 1.999 -7.590 1.00 0.00 C ATOM 593 O THR A 42 -0.687 0.806 -7.368 1.00 0.00 O ATOM 594 CB THR A 42 -1.421 3.815 -6.050 1.00 0.00 C ATOM 595 OG1 THR A 42 -1.600 3.548 -4.662 1.00 0.00 O ATOM 596 CG2 THR A 42 -2.715 3.316 -6.696 1.00 0.00 C ATOM 0 H THR A 42 0.658 4.861 -6.684 1.00 0.00 H new ATOM 0 HA THR A 42 0.056 2.343 -5.586 1.00 0.00 H new ATOM 0 HB THR A 42 -1.248 4.852 -6.339 1.00 0.00 H new ATOM 0 HG1 THR A 42 -2.366 4.059 -4.327 1.00 0.00 H new ATOM 0 HG21 THR A 42 -3.545 3.952 -6.387 1.00 0.00 H new ATOM 0 HG22 THR A 42 -2.616 3.350 -7.781 1.00 0.00 H new ATOM 0 HG23 THR A 42 -2.907 2.290 -6.381 1.00 0.00 H new ATOM 604 N VAL A 43 -0.490 2.548 -8.796 1.00 0.00 N ATOM 605 CA VAL A 43 -0.740 1.748 -9.982 1.00 0.00 C ATOM 606 C VAL A 43 0.186 0.531 -9.975 1.00 0.00 C ATOM 607 O VAL A 43 -0.276 -0.605 -10.082 1.00 0.00 O ATOM 608 CB VAL A 43 -0.587 2.610 -11.237 1.00 0.00 C ATOM 609 CG1 VAL A 43 -0.678 1.755 -12.503 1.00 0.00 C ATOM 610 CG2 VAL A 43 -1.622 3.735 -11.260 1.00 0.00 C ATOM 0 H VAL A 43 -0.323 3.538 -8.977 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.765 1.376 -9.983 1.00 0.00 H new ATOM 0 HB VAL A 43 0.402 3.067 -11.211 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -0.566 2.392 -13.381 1.00 0.00 H new ATOM 0 HG12 VAL A 43 0.114 1.007 -12.494 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -1.647 1.257 -12.537 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -1.491 4.332 -12.162 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.625 3.307 -11.251 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -1.490 4.369 -10.383 1.00 0.00 H new ATOM 620 N GLN A 44 1.474 0.808 -9.849 1.00 0.00 N ATOM 621 CA GLN A 44 2.469 -0.251 -9.827 1.00 0.00 C ATOM 622 C GLN A 44 2.254 -1.156 -8.613 1.00 0.00 C ATOM 623 O GLN A 44 2.208 -2.379 -8.746 1.00 0.00 O ATOM 624 CB GLN A 44 3.886 0.327 -9.835 1.00 0.00 C ATOM 625 CG GLN A 44 4.917 -0.751 -10.175 1.00 0.00 C ATOM 626 CD GLN A 44 6.066 -0.169 -11.001 1.00 0.00 C ATOM 627 OE1 GLN A 44 5.973 0.004 -12.206 1.00 0.00 O ATOM 628 NE2 GLN A 44 7.151 0.121 -10.289 1.00 0.00 N ATOM 0 H GLN A 44 1.853 1.751 -9.761 1.00 0.00 H new ATOM 0 HA GLN A 44 2.352 -0.851 -10.729 1.00 0.00 H new ATOM 0 HB2 GLN A 44 3.948 1.137 -10.562 1.00 0.00 H new ATOM 0 HB3 GLN A 44 4.113 0.757 -8.859 1.00 0.00 H new ATOM 0 HG2 GLN A 44 5.309 -1.187 -9.256 1.00 0.00 H new ATOM 0 HG3 GLN A 44 4.437 -1.557 -10.730 1.00 0.00 H new ATOM 0 HE21 GLN A 44 7.161 -0.049 -9.283 1.00 0.00 H new ATOM 0 HE22 GLN A 44 7.973 0.513 -10.749 1.00 0.00 H new ATOM 637 N LEU A 45 2.127 -0.523 -7.457 1.00 0.00 N ATOM 638 CA LEU A 45 1.918 -1.255 -6.220 1.00 0.00 C ATOM 639 C LEU A 45 0.795 -2.276 -6.421 1.00 0.00 C ATOM 640 O LEU A 45 0.783 -3.325 -5.779 1.00 0.00 O ATOM 641 CB LEU A 45 1.671 -0.290 -5.059 1.00 0.00 C ATOM 642 CG LEU A 45 0.329 -0.436 -4.339 1.00 0.00 C ATOM 643 CD1 LEU A 45 0.277 -1.737 -3.537 1.00 0.00 C ATOM 644 CD2 LEU A 45 0.039 0.787 -3.467 1.00 0.00 C ATOM 0 H LEU A 45 2.165 0.491 -7.351 1.00 0.00 H new ATOM 0 HA LEU A 45 2.815 -1.814 -5.953 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.469 -0.421 -4.328 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.749 0.729 -5.437 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.459 -0.489 -5.091 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.687 -1.817 -3.035 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.407 -2.585 -4.210 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.074 -1.738 -2.794 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.921 0.658 -2.966 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.826 0.897 -2.721 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.005 1.680 -4.092 1.00 0.00 H new ATOM 656 N LEU A 46 -0.121 -1.931 -7.314 1.00 0.00 N ATOM 657 CA LEU A 46 -1.246 -2.804 -7.606 1.00 0.00 C ATOM 658 C LEU A 46 -0.752 -4.017 -8.397 1.00 0.00 C ATOM 659 O LEU A 46 -1.236 -5.131 -8.198 1.00 0.00 O ATOM 660 CB LEU A 46 -2.359 -2.025 -8.309 1.00 0.00 C ATOM 661 CG LEU A 46 -3.590 -1.702 -7.459 1.00 0.00 C ATOM 662 CD1 LEU A 46 -4.532 -0.750 -8.199 1.00 0.00 C ATOM 663 CD2 LEU A 46 -4.302 -2.981 -7.017 1.00 0.00 C ATOM 0 H LEU A 46 -0.107 -1.060 -7.845 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.685 -3.181 -6.683 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.942 -1.089 -8.680 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.682 -2.597 -9.179 1.00 0.00 H new ATOM 0 HG LEU A 46 -3.257 -1.190 -6.556 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -5.399 -0.536 -7.573 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -4.008 0.179 -8.423 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.861 -1.214 -9.129 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -5.173 -2.723 -6.415 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -4.622 -3.542 -7.895 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -3.620 -3.591 -6.425 1.00 0.00 H new ATOM 675 N LEU A 47 0.206 -3.761 -9.277 1.00 0.00 N ATOM 676 CA LEU A 47 0.771 -4.818 -10.097 1.00 0.00 C ATOM 677 C LEU A 47 1.432 -5.861 -9.193 1.00 0.00 C ATOM 678 O LEU A 47 1.340 -7.060 -9.453 1.00 0.00 O ATOM 679 CB LEU A 47 1.712 -4.233 -11.152 1.00 0.00 C ATOM 680 CG LEU A 47 1.640 -4.869 -12.541 1.00 0.00 C ATOM 681 CD1 LEU A 47 2.257 -6.269 -12.535 1.00 0.00 C ATOM 682 CD2 LEU A 47 0.204 -4.878 -13.067 1.00 0.00 C ATOM 0 H LEU A 47 0.605 -2.836 -9.439 1.00 0.00 H new ATOM 0 HA LEU A 47 -0.014 -5.330 -10.653 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.499 -3.169 -11.250 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.735 -4.321 -10.786 1.00 0.00 H new ATOM 0 HG LEU A 47 2.229 -4.260 -13.226 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.193 -6.699 -13.535 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.303 -6.205 -12.234 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.716 -6.902 -11.832 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.182 -5.336 -14.056 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.429 -5.450 -12.388 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.166 -3.855 -13.132 1.00 0.00 H new ATOM 694 N GLU A 48 2.083 -5.366 -8.150 1.00 0.00 N ATOM 695 CA GLU A 48 2.759 -6.240 -7.207 1.00 0.00 C ATOM 696 C GLU A 48 1.744 -6.899 -6.272 1.00 0.00 C ATOM 697 O GLU A 48 1.983 -7.990 -5.758 1.00 0.00 O ATOM 698 CB GLU A 48 3.819 -5.475 -6.414 1.00 0.00 C ATOM 699 CG GLU A 48 5.228 -5.938 -6.791 1.00 0.00 C ATOM 700 CD GLU A 48 5.689 -5.286 -8.095 1.00 0.00 C ATOM 701 OE1 GLU A 48 5.250 -5.773 -9.160 1.00 0.00 O ATOM 702 OE2 GLU A 48 6.471 -4.315 -7.999 1.00 0.00 O ATOM 0 H GLU A 48 2.156 -4.371 -7.938 1.00 0.00 H new ATOM 0 HA GLU A 48 3.268 -7.024 -7.768 1.00 0.00 H new ATOM 0 HB2 GLU A 48 3.720 -4.406 -6.605 1.00 0.00 H new ATOM 0 HB3 GLU A 48 3.657 -5.624 -5.346 1.00 0.00 H new ATOM 0 HG2 GLU A 48 5.923 -5.688 -5.990 1.00 0.00 H new ATOM 0 HG3 GLU A 48 5.242 -7.023 -6.898 1.00 0.00 H new ATOM 709 N LEU A 49 0.629 -6.208 -6.079 1.00 0.00 N ATOM 710 CA LEU A 49 -0.423 -6.712 -5.214 1.00 0.00 C ATOM 711 C LEU A 49 -1.322 -7.660 -6.011 1.00 0.00 C ATOM 712 O LEU A 49 -2.141 -8.376 -5.436 1.00 0.00 O ATOM 713 CB LEU A 49 -1.179 -5.554 -4.560 1.00 0.00 C ATOM 714 CG LEU A 49 -0.507 -4.917 -3.342 1.00 0.00 C ATOM 715 CD1 LEU A 49 -1.472 -3.986 -2.606 1.00 0.00 C ATOM 716 CD2 LEU A 49 0.076 -5.986 -2.416 1.00 0.00 C ATOM 0 H LEU A 49 0.432 -5.303 -6.507 1.00 0.00 H new ATOM 0 HA LEU A 49 0.003 -7.289 -4.393 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.336 -4.779 -5.310 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.164 -5.912 -4.261 1.00 0.00 H new ATOM 0 HG LEU A 49 0.325 -4.306 -3.693 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.968 -3.547 -1.745 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -1.797 -3.193 -3.279 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.339 -4.554 -2.269 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.548 -5.506 -1.558 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.722 -6.643 -2.071 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.819 -6.571 -2.958 1.00 0.00 H new ATOM 728 N GLN A 50 -1.138 -7.634 -7.323 1.00 0.00 N ATOM 729 CA GLN A 50 -1.922 -8.483 -8.205 1.00 0.00 C ATOM 730 C GLN A 50 -1.045 -9.589 -8.795 1.00 0.00 C ATOM 731 O GLN A 50 -1.445 -10.266 -9.741 1.00 0.00 O ATOM 732 CB GLN A 50 -2.584 -7.660 -9.311 1.00 0.00 C ATOM 733 CG GLN A 50 -3.695 -8.459 -9.998 1.00 0.00 C ATOM 734 CD GLN A 50 -4.544 -7.557 -10.896 1.00 0.00 C ATOM 735 OE1 GLN A 50 -4.139 -7.147 -11.971 1.00 0.00 O ATOM 736 NE2 GLN A 50 -5.742 -7.271 -10.394 1.00 0.00 N ATOM 0 H GLN A 50 -0.458 -7.039 -7.796 1.00 0.00 H new ATOM 0 HA GLN A 50 -2.715 -8.949 -7.619 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -2.997 -6.744 -8.890 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -1.836 -7.364 -10.046 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -3.257 -9.261 -10.592 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -4.328 -8.929 -9.246 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -6.018 -7.648 -9.487 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -6.385 -6.675 -10.916 1.00 0.00 H new ATOM 745 N SER A 51 0.136 -9.738 -8.212 1.00 0.00 N ATOM 746 CA SER A 51 1.073 -10.750 -8.668 1.00 0.00 C ATOM 747 C SER A 51 1.363 -11.742 -7.540 1.00 0.00 C ATOM 748 O SER A 51 1.134 -12.941 -7.689 1.00 0.00 O ATOM 749 CB SER A 51 2.375 -10.113 -9.162 1.00 0.00 C ATOM 750 OG SER A 51 3.114 -10.994 -10.004 1.00 0.00 O ATOM 0 H SER A 51 0.465 -9.175 -7.428 1.00 0.00 H new ATOM 0 HA SER A 51 0.620 -11.283 -9.504 1.00 0.00 H new ATOM 0 HB2 SER A 51 2.147 -9.197 -9.707 1.00 0.00 H new ATOM 0 HB3 SER A 51 2.988 -9.830 -8.306 1.00 0.00 H new ATOM 0 HG SER A 51 3.936 -10.551 -10.300 1.00 0.00 H new ATOM 756 N GLN A 52 1.863 -11.205 -6.437 1.00 0.00 N ATOM 757 CA GLN A 52 2.187 -12.028 -5.285 1.00 0.00 C ATOM 758 C GLN A 52 0.934 -12.277 -4.443 1.00 0.00 C ATOM 759 O GLN A 52 0.834 -13.296 -3.760 1.00 0.00 O ATOM 760 CB GLN A 52 3.293 -11.384 -4.444 1.00 0.00 C ATOM 761 CG GLN A 52 4.470 -10.956 -5.324 1.00 0.00 C ATOM 762 CD GLN A 52 5.635 -11.940 -5.198 1.00 0.00 C ATOM 763 OE1 GLN A 52 5.582 -13.067 -5.663 1.00 0.00 O ATOM 764 NE2 GLN A 52 6.686 -11.454 -4.545 1.00 0.00 N ATOM 0 H GLN A 52 2.052 -10.210 -6.317 1.00 0.00 H new ATOM 0 HA GLN A 52 2.560 -12.988 -5.642 1.00 0.00 H new ATOM 0 HB2 GLN A 52 2.895 -10.518 -3.915 1.00 0.00 H new ATOM 0 HB3 GLN A 52 3.637 -12.089 -3.687 1.00 0.00 H new ATOM 0 HG2 GLN A 52 4.149 -10.898 -6.364 1.00 0.00 H new ATOM 0 HG3 GLN A 52 4.800 -9.958 -5.036 1.00 0.00 H new ATOM 0 HE21 GLN A 52 6.664 -10.501 -4.181 1.00 0.00 H new ATOM 0 HE22 GLN A 52 7.514 -12.034 -4.408 1.00 0.00 H new ATOM 773 N PHE A 53 0.011 -11.330 -4.519 1.00 0.00 N ATOM 774 CA PHE A 53 -1.231 -11.435 -3.772 1.00 0.00 C ATOM 775 C PHE A 53 -2.433 -11.519 -4.715 1.00 0.00 C ATOM 776 O PHE A 53 -3.559 -11.746 -4.273 1.00 0.00 O ATOM 777 CB PHE A 53 -1.351 -10.167 -2.924 1.00 0.00 C ATOM 778 CG PHE A 53 -0.043 -9.738 -2.257 1.00 0.00 C ATOM 779 CD1 PHE A 53 0.951 -9.186 -3.003 1.00 0.00 C ATOM 780 CD2 PHE A 53 0.127 -9.909 -0.918 1.00 0.00 C ATOM 781 CE1 PHE A 53 2.166 -8.787 -2.384 1.00 0.00 C ATOM 782 CE2 PHE A 53 1.341 -9.510 -0.300 1.00 0.00 C ATOM 783 CZ PHE A 53 2.335 -8.958 -1.046 1.00 0.00 C ATOM 0 H PHE A 53 0.098 -10.487 -5.086 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.221 -12.336 -3.158 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.709 -9.353 -3.555 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -2.104 -10.328 -2.153 1.00 0.00 H new ATOM 0 HD1 PHE A 53 0.817 -9.051 -4.066 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -0.662 -10.348 -0.325 1.00 0.00 H new ATOM 0 HE1 PHE A 53 2.955 -8.348 -2.976 1.00 0.00 H new ATOM 0 HE2 PHE A 53 1.475 -9.645 0.763 1.00 0.00 H new ATOM 0 HZ PHE A 53 3.259 -8.655 -0.575 1.00 0.00 H new ATOM 793 N GLY A 54 -2.153 -11.332 -5.996 1.00 0.00 N ATOM 794 CA GLY A 54 -3.196 -11.383 -7.006 1.00 0.00 C ATOM 795 C GLY A 54 -4.474 -10.704 -6.508 1.00 0.00 C ATOM 796 O GLY A 54 -5.572 -11.229 -6.691 1.00 0.00 O ATOM 0 H GLY A 54 -1.218 -11.145 -6.358 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -2.850 -10.893 -7.916 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -3.408 -12.421 -7.263 1.00 0.00 H new ATOM 800 N VAL A 55 -4.289 -9.547 -5.892 1.00 0.00 N ATOM 801 CA VAL A 55 -5.413 -8.790 -5.367 1.00 0.00 C ATOM 802 C VAL A 55 -6.240 -8.239 -6.531 1.00 0.00 C ATOM 803 O VAL A 55 -5.772 -8.210 -7.669 1.00 0.00 O ATOM 804 CB VAL A 55 -4.913 -7.697 -4.420 1.00 0.00 C ATOM 805 CG1 VAL A 55 -4.430 -6.474 -5.202 1.00 0.00 C ATOM 806 CG2 VAL A 55 -5.993 -7.310 -3.408 1.00 0.00 C ATOM 0 H VAL A 55 -3.377 -9.114 -5.744 1.00 0.00 H new ATOM 0 HA VAL A 55 -6.066 -9.436 -4.780 1.00 0.00 H new ATOM 0 HB VAL A 55 -4.064 -8.097 -3.865 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -4.080 -5.712 -4.506 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -3.613 -6.764 -5.863 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -5.252 -6.073 -5.795 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -5.611 -6.532 -2.748 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -6.871 -6.938 -3.937 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.268 -8.184 -2.817 1.00 0.00 H new ATOM 816 N ASP A 56 -7.452 -7.817 -6.206 1.00 0.00 N ATOM 817 CA ASP A 56 -8.348 -7.269 -7.210 1.00 0.00 C ATOM 818 C ASP A 56 -8.935 -5.952 -6.700 1.00 0.00 C ATOM 819 O ASP A 56 -9.700 -5.941 -5.737 1.00 0.00 O ATOM 820 CB ASP A 56 -9.508 -8.225 -7.495 1.00 0.00 C ATOM 821 CG ASP A 56 -10.558 -7.695 -8.473 1.00 0.00 C ATOM 822 OD1 ASP A 56 -10.231 -6.721 -9.184 1.00 0.00 O ATOM 823 OD2 ASP A 56 -11.665 -8.277 -8.488 1.00 0.00 O ATOM 0 H ASP A 56 -7.835 -7.843 -5.261 1.00 0.00 H new ATOM 0 HA ASP A 56 -7.775 -7.115 -8.124 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -9.103 -9.156 -7.890 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -10.000 -8.466 -6.553 1.00 0.00 H new ATOM 828 N ALA A 57 -8.554 -4.872 -7.368 1.00 0.00 N ATOM 829 CA ALA A 57 -9.034 -3.553 -6.994 1.00 0.00 C ATOM 830 C ALA A 57 -9.100 -2.667 -8.240 1.00 0.00 C ATOM 831 O ALA A 57 -8.407 -2.921 -9.224 1.00 0.00 O ATOM 832 CB ALA A 57 -8.126 -2.968 -5.911 1.00 0.00 C ATOM 0 H ALA A 57 -7.918 -4.884 -8.166 1.00 0.00 H new ATOM 0 HA ALA A 57 -10.040 -3.614 -6.579 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -8.486 -1.978 -5.630 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -8.136 -3.619 -5.037 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -7.108 -2.889 -6.293 1.00 0.00 H new ATOM 838 N PRO A 58 -9.962 -1.618 -8.154 1.00 0.00 N ATOM 839 CA PRO A 58 -10.128 -0.694 -9.263 1.00 0.00 C ATOM 840 C PRO A 58 -8.931 0.254 -9.370 1.00 0.00 C ATOM 841 O PRO A 58 -8.048 0.243 -8.514 1.00 0.00 O ATOM 842 CB PRO A 58 -11.435 0.029 -8.981 1.00 0.00 C ATOM 843 CG PRO A 58 -11.716 -0.181 -7.501 1.00 0.00 C ATOM 844 CD PRO A 58 -10.798 -1.287 -7.005 1.00 0.00 C ATOM 0 HA PRO A 58 -10.168 -1.198 -10.228 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -11.353 1.090 -9.216 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -12.243 -0.372 -9.593 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -11.540 0.740 -6.945 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -12.760 -0.453 -7.345 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -10.196 -0.953 -6.160 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -11.368 -2.153 -6.667 1.00 0.00 H new ATOM 852 N VAL A 59 -8.941 1.052 -10.428 1.00 0.00 N ATOM 853 CA VAL A 59 -7.868 2.004 -10.658 1.00 0.00 C ATOM 854 C VAL A 59 -8.463 3.333 -11.127 1.00 0.00 C ATOM 855 O VAL A 59 -8.069 4.396 -10.650 1.00 0.00 O ATOM 856 CB VAL A 59 -6.854 1.421 -11.645 1.00 0.00 C ATOM 857 CG1 VAL A 59 -5.589 2.279 -11.701 1.00 0.00 C ATOM 858 CG2 VAL A 59 -6.517 -0.029 -11.293 1.00 0.00 C ATOM 0 H VAL A 59 -9.676 1.059 -11.136 1.00 0.00 H new ATOM 0 HA VAL A 59 -7.326 2.199 -9.733 1.00 0.00 H new ATOM 0 HB VAL A 59 -7.309 1.428 -12.636 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -4.885 1.843 -12.410 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -5.848 3.288 -12.021 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -5.132 2.318 -10.712 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -5.795 -0.419 -12.010 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -6.092 -0.071 -10.290 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -7.424 -0.632 -11.328 1.00 0.00 H new ATOM 868 N SER A 60 -9.402 3.229 -12.056 1.00 0.00 N ATOM 869 CA SER A 60 -10.056 4.410 -12.595 1.00 0.00 C ATOM 870 C SER A 60 -10.237 5.456 -11.493 1.00 0.00 C ATOM 871 O SER A 60 -10.173 6.656 -11.754 1.00 0.00 O ATOM 872 CB SER A 60 -11.407 4.055 -13.219 1.00 0.00 C ATOM 873 OG SER A 60 -12.190 3.229 -12.362 1.00 0.00 O ATOM 0 H SER A 60 -9.726 2.345 -12.449 1.00 0.00 H new ATOM 0 HA SER A 60 -9.423 4.824 -13.379 1.00 0.00 H new ATOM 0 HB2 SER A 60 -11.956 4.970 -13.441 1.00 0.00 H new ATOM 0 HB3 SER A 60 -11.245 3.543 -14.167 1.00 0.00 H new ATOM 0 HG SER A 60 -13.045 3.026 -12.795 1.00 0.00 H new ATOM 879 N GLU A 61 -10.461 4.962 -10.284 1.00 0.00 N ATOM 880 CA GLU A 61 -10.653 5.840 -9.141 1.00 0.00 C ATOM 881 C GLU A 61 -10.931 5.017 -7.881 1.00 0.00 C ATOM 882 O GLU A 61 -11.952 5.208 -7.224 1.00 0.00 O ATOM 883 CB GLU A 61 -11.780 6.841 -9.401 1.00 0.00 C ATOM 884 CG GLU A 61 -11.318 8.272 -9.121 1.00 0.00 C ATOM 885 CD GLU A 61 -11.973 9.259 -10.088 1.00 0.00 C ATOM 886 OE1 GLU A 61 -11.520 9.298 -11.253 1.00 0.00 O ATOM 887 OE2 GLU A 61 -12.912 9.953 -9.642 1.00 0.00 O ATOM 0 H GLU A 61 -10.514 3.966 -10.071 1.00 0.00 H new ATOM 0 HA GLU A 61 -9.736 6.408 -8.986 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -12.113 6.758 -10.436 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -12.636 6.602 -8.771 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -11.566 8.544 -8.095 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -10.234 8.332 -9.213 1.00 0.00 H new ATOM 894 N PHE A 62 -10.002 4.119 -7.582 1.00 0.00 N ATOM 895 CA PHE A 62 -10.134 3.268 -6.413 1.00 0.00 C ATOM 896 C PHE A 62 -10.369 4.101 -5.151 1.00 0.00 C ATOM 897 O PHE A 62 -10.605 5.305 -5.234 1.00 0.00 O ATOM 898 CB PHE A 62 -8.816 2.503 -6.266 1.00 0.00 C ATOM 899 CG PHE A 62 -7.573 3.342 -6.568 1.00 0.00 C ATOM 900 CD1 PHE A 62 -7.431 4.572 -6.008 1.00 0.00 C ATOM 901 CD2 PHE A 62 -6.611 2.857 -7.397 1.00 0.00 C ATOM 902 CE1 PHE A 62 -6.276 5.350 -6.288 1.00 0.00 C ATOM 903 CE2 PHE A 62 -5.457 3.635 -7.678 1.00 0.00 C ATOM 904 CZ PHE A 62 -5.314 4.865 -7.117 1.00 0.00 C ATOM 0 H PHE A 62 -9.156 3.963 -8.130 1.00 0.00 H new ATOM 0 HA PHE A 62 -10.984 2.597 -6.536 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -8.743 2.117 -5.249 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -8.831 1.641 -6.934 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -8.196 4.958 -5.350 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -6.725 1.880 -7.842 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -6.162 6.327 -5.842 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -4.693 3.250 -8.337 1.00 0.00 H new ATOM 0 HZ PHE A 62 -4.436 5.457 -7.330 1.00 0.00 H new ATOM 914 N ASP A 63 -10.298 3.425 -4.013 1.00 0.00 N ATOM 915 CA ASP A 63 -10.502 4.088 -2.736 1.00 0.00 C ATOM 916 C ASP A 63 -9.146 4.497 -2.158 1.00 0.00 C ATOM 917 O ASP A 63 -8.587 3.792 -1.319 1.00 0.00 O ATOM 918 CB ASP A 63 -11.182 3.154 -1.733 1.00 0.00 C ATOM 919 CG ASP A 63 -11.191 1.676 -2.129 1.00 0.00 C ATOM 920 OD1 ASP A 63 -10.084 1.099 -2.194 1.00 0.00 O ATOM 921 OD2 ASP A 63 -12.304 1.157 -2.357 1.00 0.00 O ATOM 0 H ASP A 63 -10.102 2.426 -3.949 1.00 0.00 H new ATOM 0 HA ASP A 63 -11.136 4.958 -2.904 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -10.682 3.253 -0.770 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -12.212 3.483 -1.593 1.00 0.00 H new ATOM 926 N ARG A 64 -8.656 5.634 -2.629 1.00 0.00 N ATOM 927 CA ARG A 64 -7.376 6.145 -2.168 1.00 0.00 C ATOM 928 C ARG A 64 -7.302 6.091 -0.641 1.00 0.00 C ATOM 929 O ARG A 64 -6.216 5.976 -0.072 1.00 0.00 O ATOM 930 CB ARG A 64 -7.159 7.586 -2.632 1.00 0.00 C ATOM 931 CG ARG A 64 -8.428 8.421 -2.441 1.00 0.00 C ATOM 932 CD ARG A 64 -8.213 9.514 -1.392 1.00 0.00 C ATOM 933 NE ARG A 64 -9.483 9.796 -0.688 1.00 0.00 N ATOM 934 CZ ARG A 64 -10.414 10.652 -1.131 1.00 0.00 C ATOM 935 NH1 ARG A 64 -10.222 11.315 -2.279 1.00 0.00 N ATOM 936 NH2 ARG A 64 -11.536 10.846 -0.425 1.00 0.00 N ATOM 0 H ARG A 64 -9.122 6.216 -3.325 1.00 0.00 H new ATOM 0 HA ARG A 64 -6.595 5.517 -2.595 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -6.338 8.033 -2.071 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -6.869 7.594 -3.683 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -8.716 8.874 -3.390 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -9.250 7.774 -2.134 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -7.453 9.199 -0.677 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -7.844 10.421 -1.870 1.00 0.00 H new ATOM 0 HE ARG A 64 -9.661 9.308 0.190 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -9.367 11.168 -2.816 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -10.931 11.967 -2.616 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -11.682 10.342 0.450 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -12.245 11.498 -0.762 1.00 0.00 H new ATOM 950 N LYS A 65 -8.469 6.177 -0.019 1.00 0.00 N ATOM 951 CA LYS A 65 -8.549 6.139 1.430 1.00 0.00 C ATOM 952 C LYS A 65 -7.998 4.803 1.934 1.00 0.00 C ATOM 953 O LYS A 65 -7.407 4.737 3.010 1.00 0.00 O ATOM 954 CB LYS A 65 -9.977 6.428 1.896 1.00 0.00 C ATOM 955 CG LYS A 65 -10.241 5.816 3.272 1.00 0.00 C ATOM 956 CD LYS A 65 -11.111 6.740 4.127 1.00 0.00 C ATOM 957 CE LYS A 65 -10.293 7.916 4.667 1.00 0.00 C ATOM 958 NZ LYS A 65 -11.094 8.705 5.630 1.00 0.00 N ATOM 0 H LYS A 65 -9.367 6.273 -0.493 1.00 0.00 H new ATOM 0 HA LYS A 65 -7.930 6.924 1.865 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -10.139 7.505 1.936 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -10.687 6.026 1.173 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -10.735 4.851 3.156 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -9.294 5.631 3.779 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -11.944 7.114 3.532 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -11.539 6.178 4.957 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -9.390 7.546 5.153 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -9.973 8.553 3.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -10.525 9.499 5.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -11.943 9.074 5.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -11.378 8.098 6.425 1.00 0.00 H new ATOM 972 N GLU A 66 -8.210 3.772 1.129 1.00 0.00 N ATOM 973 CA GLU A 66 -7.741 2.441 1.478 1.00 0.00 C ATOM 974 C GLU A 66 -6.288 2.257 1.037 1.00 0.00 C ATOM 975 O GLU A 66 -5.557 1.456 1.616 1.00 0.00 O ATOM 976 CB GLU A 66 -8.641 1.365 0.868 1.00 0.00 C ATOM 977 CG GLU A 66 -8.081 -0.034 1.134 1.00 0.00 C ATOM 978 CD GLU A 66 -9.196 -1.080 1.131 1.00 0.00 C ATOM 979 OE1 GLU A 66 -10.032 -1.018 0.204 1.00 0.00 O ATOM 980 OE2 GLU A 66 -9.188 -1.921 2.058 1.00 0.00 O ATOM 0 H GLU A 66 -8.700 3.831 0.236 1.00 0.00 H new ATOM 0 HA GLU A 66 -7.787 2.334 2.562 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -9.644 1.445 1.287 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -8.730 1.527 -0.206 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -7.341 -0.284 0.374 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -7.567 -0.047 2.095 1.00 0.00 H new ATOM 987 N TRP A 67 -5.914 3.011 0.014 1.00 0.00 N ATOM 988 CA TRP A 67 -4.562 2.941 -0.513 1.00 0.00 C ATOM 989 C TRP A 67 -3.812 4.196 -0.059 1.00 0.00 C ATOM 990 O TRP A 67 -2.816 4.582 -0.668 1.00 0.00 O ATOM 991 CB TRP A 67 -4.573 2.769 -2.033 1.00 0.00 C ATOM 992 CG TRP A 67 -5.634 1.790 -2.540 1.00 0.00 C ATOM 993 CD1 TRP A 67 -6.863 2.069 -2.997 1.00 0.00 C ATOM 994 CD2 TRP A 67 -5.509 0.355 -2.624 1.00 0.00 C ATOM 995 NE1 TRP A 67 -7.537 0.922 -3.367 1.00 0.00 N ATOM 996 CE2 TRP A 67 -6.687 -0.152 -3.133 1.00 0.00 C ATOM 997 CE3 TRP A 67 -4.437 -0.487 -2.281 1.00 0.00 C ATOM 998 CZ2 TRP A 67 -6.905 -1.520 -3.346 1.00 0.00 C ATOM 999 CZ3 TRP A 67 -4.671 -1.850 -2.499 1.00 0.00 C ATOM 1000 CH2 TRP A 67 -5.851 -2.377 -3.011 1.00 0.00 C ATOM 0 H TRP A 67 -6.524 3.674 -0.464 1.00 0.00 H new ATOM 0 HA TRP A 67 -4.042 2.065 -0.125 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -4.739 3.741 -2.497 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -3.591 2.424 -2.357 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -7.274 3.065 -3.067 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -8.484 0.872 -3.743 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -3.506 -0.112 -1.881 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -7.836 -1.892 -3.747 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -3.879 -2.541 -2.252 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -5.954 -3.443 -3.150 1.00 0.00 H new ATOM 1011 N ASP A 68 -4.321 4.797 1.007 1.00 0.00 N ATOM 1012 CA ASP A 68 -3.711 5.999 1.549 1.00 0.00 C ATOM 1013 C ASP A 68 -2.725 5.613 2.654 1.00 0.00 C ATOM 1014 O ASP A 68 -1.689 6.254 2.818 1.00 0.00 O ATOM 1015 CB ASP A 68 -4.766 6.925 2.158 1.00 0.00 C ATOM 1016 CG ASP A 68 -4.266 7.813 3.298 1.00 0.00 C ATOM 1017 OD1 ASP A 68 -3.197 8.433 3.107 1.00 0.00 O ATOM 1018 OD2 ASP A 68 -4.963 7.854 4.335 1.00 0.00 O ATOM 0 H ASP A 68 -5.148 4.474 1.509 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.204 6.516 0.735 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -5.167 7.563 1.370 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -5.592 6.317 2.527 1.00 0.00 H new ATOM 1023 N THR A 69 -3.085 4.567 3.384 1.00 0.00 N ATOM 1024 CA THR A 69 -2.245 4.088 4.469 1.00 0.00 C ATOM 1025 C THR A 69 -1.829 2.637 4.220 1.00 0.00 C ATOM 1026 O THR A 69 -2.464 1.931 3.439 1.00 0.00 O ATOM 1027 CB THR A 69 -3.010 4.285 5.780 1.00 0.00 C ATOM 1028 OG1 THR A 69 -4.324 3.817 5.489 1.00 0.00 O ATOM 1029 CG2 THR A 69 -3.207 5.762 6.125 1.00 0.00 C ATOM 0 H THR A 69 -3.946 4.038 3.246 1.00 0.00 H new ATOM 0 HA THR A 69 -1.315 4.654 4.530 1.00 0.00 H new ATOM 0 HB THR A 69 -2.475 3.791 6.591 1.00 0.00 H new ATOM 0 HG1 THR A 69 -4.628 3.226 6.209 1.00 0.00 H new ATOM 0 HG21 THR A 69 -3.755 5.846 7.064 1.00 0.00 H new ATOM 0 HG22 THR A 69 -2.235 6.244 6.228 1.00 0.00 H new ATOM 0 HG23 THR A 69 -3.772 6.249 5.330 1.00 0.00 H new ATOM 1037 N PRO A 70 -0.737 2.225 4.918 1.00 0.00 N ATOM 1038 CA PRO A 70 -0.228 0.871 4.780 1.00 0.00 C ATOM 1039 C PRO A 70 -1.120 -0.128 5.520 1.00 0.00 C ATOM 1040 O PRO A 70 -1.171 -1.304 5.164 1.00 0.00 O ATOM 1041 CB PRO A 70 1.187 0.925 5.331 1.00 0.00 C ATOM 1042 CG PRO A 70 1.258 2.185 6.178 1.00 0.00 C ATOM 1043 CD PRO A 70 0.040 3.034 5.851 1.00 0.00 C ATOM 0 HA PRO A 70 -0.226 0.526 3.746 1.00 0.00 H new ATOM 0 HB2 PRO A 70 1.407 0.040 5.928 1.00 0.00 H new ATOM 0 HB3 PRO A 70 1.919 0.955 4.524 1.00 0.00 H new ATOM 0 HG2 PRO A 70 1.274 1.932 7.238 1.00 0.00 H new ATOM 0 HG3 PRO A 70 2.175 2.735 5.968 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -0.534 3.264 6.748 1.00 0.00 H new ATOM 0 HD3 PRO A 70 0.329 3.985 5.404 1.00 0.00 H new ATOM 1051 N ASN A 71 -1.801 0.378 6.539 1.00 0.00 N ATOM 1052 CA ASN A 71 -2.689 -0.455 7.333 1.00 0.00 C ATOM 1053 C ASN A 71 -3.934 -0.794 6.510 1.00 0.00 C ATOM 1054 O ASN A 71 -4.394 -1.935 6.516 1.00 0.00 O ATOM 1055 CB ASN A 71 -3.142 0.274 8.599 1.00 0.00 C ATOM 1056 CG ASN A 71 -3.774 1.625 8.257 1.00 0.00 C ATOM 1057 OD1 ASN A 71 -4.885 1.713 7.763 1.00 0.00 O ATOM 1058 ND2 ASN A 71 -3.003 2.670 8.547 1.00 0.00 N ATOM 0 H ASN A 71 -1.756 1.354 6.833 1.00 0.00 H new ATOM 0 HA ASN A 71 -2.145 -1.358 7.612 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -3.861 -0.341 9.140 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -2.289 0.424 9.261 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -3.333 3.616 8.356 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -2.082 2.525 8.960 1.00 0.00 H new ATOM 1065 N LYS A 72 -4.444 0.217 5.824 1.00 0.00 N ATOM 1066 CA LYS A 72 -5.627 0.040 4.999 1.00 0.00 C ATOM 1067 C LYS A 72 -5.290 -0.878 3.823 1.00 0.00 C ATOM 1068 O LYS A 72 -6.151 -1.608 3.334 1.00 0.00 O ATOM 1069 CB LYS A 72 -6.193 1.397 4.577 1.00 0.00 C ATOM 1070 CG LYS A 72 -7.389 1.787 5.447 1.00 0.00 C ATOM 1071 CD LYS A 72 -7.318 3.262 5.848 1.00 0.00 C ATOM 1072 CE LYS A 72 -8.719 3.836 6.076 1.00 0.00 C ATOM 1073 NZ LYS A 72 -9.358 3.193 7.246 1.00 0.00 N ATOM 0 H LYS A 72 -4.060 1.162 5.822 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.419 -0.447 5.568 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -5.418 2.159 4.656 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -6.497 1.359 3.531 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -8.315 1.598 4.904 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -7.411 1.164 6.341 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -6.725 3.367 6.757 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -6.810 3.831 5.069 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -8.656 4.913 6.234 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -9.331 3.680 5.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -10.263 3.663 7.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -9.528 2.188 7.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -8.732 3.276 8.073 1.00 0.00 H new ATOM 1087 N ILE A 73 -4.036 -0.811 3.401 1.00 0.00 N ATOM 1088 CA ILE A 73 -3.575 -1.628 2.292 1.00 0.00 C ATOM 1089 C ILE A 73 -3.296 -3.048 2.790 1.00 0.00 C ATOM 1090 O ILE A 73 -3.810 -4.017 2.233 1.00 0.00 O ATOM 1091 CB ILE A 73 -2.376 -0.971 1.604 1.00 0.00 C ATOM 1092 CG1 ILE A 73 -2.799 0.294 0.856 1.00 0.00 C ATOM 1093 CG2 ILE A 73 -1.656 -1.964 0.690 1.00 0.00 C ATOM 1094 CD1 ILE A 73 -1.600 0.951 0.168 1.00 0.00 C ATOM 0 H ILE A 73 -3.325 -0.203 3.807 1.00 0.00 H new ATOM 0 HA ILE A 73 -4.349 -1.704 1.528 1.00 0.00 H new ATOM 0 HB ILE A 73 -1.665 -0.668 2.373 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -3.557 0.045 0.114 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -3.254 0.998 1.553 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -0.808 -1.471 0.214 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -1.300 -2.809 1.279 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -2.346 -2.320 -0.075 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.928 1.848 -0.357 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -0.854 1.220 0.916 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -1.163 0.253 -0.546 1.00 0.00 H new ATOM 1106 N ILE A 74 -2.483 -3.126 3.832 1.00 0.00 N ATOM 1107 CA ILE A 74 -2.129 -4.411 4.412 1.00 0.00 C ATOM 1108 C ILE A 74 -3.404 -5.219 4.663 1.00 0.00 C ATOM 1109 O ILE A 74 -3.372 -6.450 4.664 1.00 0.00 O ATOM 1110 CB ILE A 74 -1.268 -4.217 5.661 1.00 0.00 C ATOM 1111 CG1 ILE A 74 0.218 -4.160 5.299 1.00 0.00 C ATOM 1112 CG2 ILE A 74 -1.563 -5.297 6.704 1.00 0.00 C ATOM 1113 CD1 ILE A 74 1.042 -3.595 6.458 1.00 0.00 C ATOM 0 H ILE A 74 -2.058 -2.320 4.291 1.00 0.00 H new ATOM 0 HA ILE A 74 -1.516 -4.987 3.718 1.00 0.00 H new ATOM 0 HB ILE A 74 -1.527 -3.258 6.109 1.00 0.00 H new ATOM 0 HG12 ILE A 74 0.574 -5.159 5.048 1.00 0.00 H new ATOM 0 HG13 ILE A 74 0.357 -3.540 4.413 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -0.937 -5.136 7.582 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -2.613 -5.247 6.993 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -1.349 -6.279 6.282 1.00 0.00 H new ATOM 0 HD11 ILE A 74 2.094 -3.565 6.176 1.00 0.00 H new ATOM 0 HD12 ILE A 74 0.700 -2.587 6.690 1.00 0.00 H new ATOM 0 HD13 ILE A 74 0.920 -4.231 7.335 1.00 0.00 H new ATOM 1125 N ALA A 75 -4.495 -4.497 4.869 1.00 0.00 N ATOM 1126 CA ALA A 75 -5.777 -5.131 5.121 1.00 0.00 C ATOM 1127 C ALA A 75 -6.428 -5.503 3.788 1.00 0.00 C ATOM 1128 O ALA A 75 -7.121 -6.514 3.691 1.00 0.00 O ATOM 1129 CB ALA A 75 -6.654 -4.197 5.958 1.00 0.00 C ATOM 0 H ALA A 75 -4.517 -3.477 4.866 1.00 0.00 H new ATOM 0 HA ALA A 75 -5.644 -6.051 5.691 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -7.616 -4.673 6.147 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.160 -3.988 6.907 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -6.811 -3.264 5.417 1.00 0.00 H new ATOM 1135 N LYS A 76 -6.182 -4.664 2.792 1.00 0.00 N ATOM 1136 CA LYS A 76 -6.735 -4.892 1.468 1.00 0.00 C ATOM 1137 C LYS A 76 -6.048 -6.103 0.834 1.00 0.00 C ATOM 1138 O LYS A 76 -6.616 -6.758 -0.039 1.00 0.00 O ATOM 1139 CB LYS A 76 -6.643 -3.620 0.622 1.00 0.00 C ATOM 1140 CG LYS A 76 -7.485 -3.744 -0.649 1.00 0.00 C ATOM 1141 CD LYS A 76 -8.938 -4.083 -0.314 1.00 0.00 C ATOM 1142 CE LYS A 76 -9.876 -3.655 -1.445 1.00 0.00 C ATOM 1143 NZ LYS A 76 -11.010 -4.599 -1.563 1.00 0.00 N ATOM 0 H LYS A 76 -5.607 -3.826 2.876 1.00 0.00 H new ATOM 0 HA LYS A 76 -7.797 -5.127 1.535 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -6.984 -2.765 1.206 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -5.603 -3.430 0.356 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -7.446 -2.809 -1.208 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -7.067 -4.518 -1.292 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -9.035 -5.155 -0.143 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -9.227 -3.585 0.611 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -10.251 -2.649 -1.254 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -9.327 -3.617 -2.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -11.637 -4.294 -2.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -10.648 -5.552 -1.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -11.543 -4.615 -0.670 1.00 0.00 H new ATOM 1157 N VAL A 77 -4.834 -6.364 1.296 1.00 0.00 N ATOM 1158 CA VAL A 77 -4.063 -7.484 0.785 1.00 0.00 C ATOM 1159 C VAL A 77 -4.462 -8.756 1.535 1.00 0.00 C ATOM 1160 O VAL A 77 -4.399 -9.854 0.983 1.00 0.00 O ATOM 1161 CB VAL A 77 -2.568 -7.178 0.880 1.00 0.00 C ATOM 1162 CG1 VAL A 77 -1.733 -8.437 0.637 1.00 0.00 C ATOM 1163 CG2 VAL A 77 -2.173 -6.063 -0.090 1.00 0.00 C ATOM 0 H VAL A 77 -4.365 -5.818 2.019 1.00 0.00 H new ATOM 0 HA VAL A 77 -4.280 -7.647 -0.271 1.00 0.00 H new ATOM 0 HB VAL A 77 -2.362 -6.830 1.892 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -0.674 -8.191 0.710 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -1.983 -9.190 1.385 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -1.946 -8.829 -0.358 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.105 -5.865 -0.002 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.402 -6.370 -1.110 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.730 -5.158 0.150 1.00 0.00 H new ATOM 1173 N GLU A 78 -4.863 -8.568 2.785 1.00 0.00 N ATOM 1174 CA GLU A 78 -5.272 -9.687 3.617 1.00 0.00 C ATOM 1175 C GLU A 78 -6.726 -10.063 3.324 1.00 0.00 C ATOM 1176 O GLU A 78 -7.137 -11.199 3.555 1.00 0.00 O ATOM 1177 CB GLU A 78 -5.077 -9.367 5.100 1.00 0.00 C ATOM 1178 CG GLU A 78 -3.597 -9.427 5.483 1.00 0.00 C ATOM 1179 CD GLU A 78 -3.390 -10.276 6.739 1.00 0.00 C ATOM 1180 OE1 GLU A 78 -4.253 -10.180 7.638 1.00 0.00 O ATOM 1181 OE2 GLU A 78 -2.373 -11.003 6.770 1.00 0.00 O ATOM 0 H GLU A 78 -4.913 -7.657 3.241 1.00 0.00 H new ATOM 0 HA GLU A 78 -4.641 -10.543 3.377 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -5.473 -8.375 5.317 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -5.642 -10.075 5.706 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -3.021 -9.845 4.658 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -3.221 -8.419 5.655 1.00 0.00 H new ATOM 1188 N GLN A 79 -7.467 -9.087 2.818 1.00 0.00 N ATOM 1189 CA GLN A 79 -8.866 -9.300 2.492 1.00 0.00 C ATOM 1190 C GLN A 79 -9.004 -9.810 1.055 1.00 0.00 C ATOM 1191 O GLN A 79 -10.080 -9.732 0.466 1.00 0.00 O ATOM 1192 CB GLN A 79 -9.680 -8.022 2.700 1.00 0.00 C ATOM 1193 CG GLN A 79 -10.532 -8.116 3.968 1.00 0.00 C ATOM 1194 CD GLN A 79 -10.583 -6.771 4.696 1.00 0.00 C ATOM 1195 OE1 GLN A 79 -9.660 -6.376 5.390 1.00 0.00 O ATOM 1196 NE2 GLN A 79 -11.710 -6.092 4.500 1.00 0.00 N ATOM 0 H GLN A 79 -7.123 -8.146 2.626 1.00 0.00 H new ATOM 0 HA GLN A 79 -9.264 -10.058 3.167 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -9.009 -7.166 2.771 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -10.323 -7.852 1.837 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -11.543 -8.432 3.709 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -10.121 -8.877 4.631 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -12.443 -6.481 3.907 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -11.841 -5.183 4.943 1.00 0.00 H new ATOM 1205 N ALA A 80 -7.898 -10.319 0.533 1.00 0.00 N ATOM 1206 CA ALA A 80 -7.882 -10.840 -0.823 1.00 0.00 C ATOM 1207 C ALA A 80 -7.604 -12.345 -0.783 1.00 0.00 C ATOM 1208 O ALA A 80 -8.284 -13.122 -1.451 1.00 0.00 O ATOM 1209 CB ALA A 80 -6.845 -10.078 -1.651 1.00 0.00 C ATOM 0 H ALA A 80 -7.007 -10.382 1.025 1.00 0.00 H new ATOM 0 HA ALA A 80 -8.851 -10.696 -1.301 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -6.833 -10.469 -2.668 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -7.103 -9.019 -1.672 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -5.859 -10.202 -1.203 1.00 0.00 H new ATOM 1215 N GLN A 81 -6.605 -12.709 0.007 1.00 0.00 N ATOM 1216 CA GLN A 81 -6.229 -14.106 0.142 1.00 0.00 C ATOM 1217 C GLN A 81 -7.477 -14.991 0.169 1.00 0.00 C ATOM 1218 O GLN A 81 -7.479 -16.085 -0.394 1.00 0.00 O ATOM 1219 CB GLN A 81 -5.374 -14.325 1.392 1.00 0.00 C ATOM 1220 CG GLN A 81 -4.072 -13.524 1.313 1.00 0.00 C ATOM 1221 CD GLN A 81 -3.358 -13.769 -0.018 1.00 0.00 C ATOM 1222 OE1 GLN A 81 -2.665 -14.753 -0.208 1.00 0.00 O ATOM 1223 NE2 GLN A 81 -3.566 -12.818 -0.925 1.00 0.00 N ATOM 0 H GLN A 81 -6.044 -12.061 0.560 1.00 0.00 H new ATOM 0 HA GLN A 81 -5.628 -14.386 -0.723 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -5.935 -14.027 2.278 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -5.147 -15.386 1.500 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -4.287 -12.461 1.424 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -3.417 -13.805 2.138 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -4.159 -12.019 -0.700 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -3.133 -12.888 -1.846 1.00 0.00 H new