USER MOD reduce.3.24.130724 H: found=0, std=0, add=512, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 513 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 21 HIS : no HE2:sc= 0.116 K(o=0.12,f=-0.81) USER MOD Single : A 24 THR OG1 : rot 90:sc= 0.0805 USER MOD Single : A 27 THR OG1 : rot 123:sc= -0.561 USER MOD Single : A 30 GLN : amide:sc= -0.0335 X(o=-0.034,f=-0.034) USER MOD Single : A 35 LYS NZ :NH3+ 167:sc= 0.233 (180deg=0.0843) USER MOD Single : A 37 TYR OH : rot -130:sc= -0.678 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= -0.908 K(o=-0.91,f=-0.15) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0.153 USER MOD Single : A 67 SER OG : rot 29:sc= -0.829! USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 SER OG : rot -74:sc= 0.0204 USER MOD Single : A 81 ASN : amide:sc= -0.713 K(o=-0.71,f=-3.2!) USER MOD Single : A 89 TYR OH : rot -25:sc= 0.546 USER MOD Single : A 90 LYS NZ :NH3+ -94:sc= 1.29 (180deg=-0.106) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 21 1.634 -1.934 -0.369 1.00 0.00 N ATOM 2 CA HIS A 21 1.188 -0.734 -1.113 1.00 0.00 C ATOM 3 C HIS A 21 0.430 -1.190 -2.378 1.00 0.00 C ATOM 4 O HIS A 21 -0.794 -1.361 -2.334 1.00 0.00 O ATOM 5 CB HIS A 21 2.393 0.186 -1.475 1.00 0.00 C ATOM 6 CG HIS A 21 3.336 0.461 -0.331 1.00 0.00 C ATOM 7 ND1 HIS A 21 4.505 -0.252 -0.149 1.00 0.00 N ATOM 8 CD2 HIS A 21 3.282 1.349 0.689 1.00 0.00 C ATOM 9 CE1 HIS A 21 5.116 0.181 0.928 1.00 0.00 C ATOM 10 NE2 HIS A 21 4.398 1.147 1.459 1.00 0.00 N ATOM 0 HA HIS A 21 0.521 -0.144 -0.485 1.00 0.00 H new ATOM 0 HB2 HIS A 21 2.954 -0.274 -2.289 1.00 0.00 H new ATOM 0 HB3 HIS A 21 2.009 1.135 -1.849 1.00 0.00 H new ATOM 0 HD1 HIS A 21 4.841 -0.999 -0.757 1.00 0.00 H new ATOM 0 HD2 HIS A 21 2.506 2.079 0.863 1.00 0.00 H new ATOM 0 HE1 HIS A 21 6.053 -0.193 1.314 1.00 0.00 H new ATOM 19 N ALA A 22 1.196 -1.448 -3.470 1.00 0.00 N ATOM 20 CA ALA A 22 0.673 -1.848 -4.792 1.00 0.00 C ATOM 21 C ALA A 22 1.839 -1.891 -5.794 1.00 0.00 C ATOM 22 O ALA A 22 2.359 -0.831 -6.178 1.00 0.00 O ATOM 23 CB ALA A 22 -0.419 -0.880 -5.320 1.00 0.00 C ATOM 0 H ALA A 22 2.214 -1.381 -3.450 1.00 0.00 H new ATOM 0 HA ALA A 22 0.211 -2.829 -4.683 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -0.768 -1.222 -6.295 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -1.256 -0.860 -4.622 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -0.002 0.122 -5.415 1.00 0.00 H new ATOM 29 N ALA A 23 2.268 -3.100 -6.185 1.00 0.00 N ATOM 30 CA ALA A 23 3.313 -3.280 -7.210 1.00 0.00 C ATOM 31 C ALA A 23 2.741 -2.996 -8.614 1.00 0.00 C ATOM 32 O ALA A 23 1.562 -3.276 -8.872 1.00 0.00 O ATOM 33 CB ALA A 23 3.915 -4.690 -7.125 1.00 0.00 C ATOM 0 H ALA A 23 1.906 -3.975 -5.805 1.00 0.00 H new ATOM 0 HA ALA A 23 4.115 -2.566 -7.023 1.00 0.00 H new ATOM 0 HB1 ALA A 23 4.684 -4.804 -7.889 1.00 0.00 H new ATOM 0 HB2 ALA A 23 4.357 -4.838 -6.140 1.00 0.00 H new ATOM 0 HB3 ALA A 23 3.131 -5.430 -7.286 1.00 0.00 H new ATOM 39 N THR A 24 3.580 -2.429 -9.503 1.00 0.00 N ATOM 40 CA THR A 24 3.176 -2.054 -10.876 1.00 0.00 C ATOM 41 C THR A 24 2.930 -3.304 -11.743 1.00 0.00 C ATOM 42 O THR A 24 3.670 -4.280 -11.643 1.00 0.00 O ATOM 43 CB THR A 24 4.283 -1.170 -11.553 1.00 0.00 C ATOM 44 OG1 THR A 24 4.605 -0.060 -10.698 1.00 0.00 O ATOM 45 CG2 THR A 24 3.869 -0.639 -12.947 1.00 0.00 C ATOM 0 H THR A 24 4.555 -2.218 -9.292 1.00 0.00 H new ATOM 0 HA THR A 24 2.249 -1.486 -10.801 1.00 0.00 H new ATOM 0 HB THR A 24 5.152 -1.811 -11.699 1.00 0.00 H new ATOM 0 HG1 THR A 24 5.336 -0.312 -10.096 1.00 0.00 H new ATOM 0 HG21 THR A 24 4.677 -0.036 -13.361 1.00 0.00 H new ATOM 0 HG22 THR A 24 3.667 -1.479 -13.611 1.00 0.00 H new ATOM 0 HG23 THR A 24 2.972 -0.028 -12.852 1.00 0.00 H new ATOM 53 N GLU A 25 1.885 -3.264 -12.582 1.00 0.00 N ATOM 54 CA GLU A 25 1.636 -4.316 -13.574 1.00 0.00 C ATOM 55 C GLU A 25 2.556 -4.095 -14.788 1.00 0.00 C ATOM 56 O GLU A 25 2.592 -2.989 -15.358 1.00 0.00 O ATOM 57 CB GLU A 25 0.151 -4.328 -14.014 1.00 0.00 C ATOM 58 CG GLU A 25 -0.199 -5.412 -15.053 1.00 0.00 C ATOM 59 CD GLU A 25 -1.692 -5.441 -15.410 1.00 0.00 C ATOM 60 OE1 GLU A 25 -2.151 -4.535 -16.137 1.00 0.00 O ATOM 61 OE2 GLU A 25 -2.413 -6.366 -14.963 1.00 0.00 O ATOM 0 H GLU A 25 1.197 -2.511 -12.592 1.00 0.00 H new ATOM 0 HA GLU A 25 1.853 -5.284 -13.123 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -0.475 -4.471 -13.133 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -0.100 -3.351 -14.428 1.00 0.00 H new ATOM 0 HG2 GLU A 25 0.382 -5.240 -15.959 1.00 0.00 H new ATOM 0 HG3 GLU A 25 0.095 -6.387 -14.666 1.00 0.00 H new ATOM 68 N LEU A 26 3.311 -5.137 -15.157 1.00 0.00 N ATOM 69 CA LEU A 26 4.178 -5.117 -16.341 1.00 0.00 C ATOM 70 C LEU A 26 3.442 -5.825 -17.489 1.00 0.00 C ATOM 71 O LEU A 26 2.974 -6.962 -17.322 1.00 0.00 O ATOM 72 CB LEU A 26 5.545 -5.808 -16.048 1.00 0.00 C ATOM 73 CG LEU A 26 6.733 -5.364 -16.953 1.00 0.00 C ATOM 74 CD1 LEU A 26 7.059 -3.863 -16.759 1.00 0.00 C ATOM 75 CD2 LEU A 26 7.979 -6.227 -16.701 1.00 0.00 C ATOM 0 H LEU A 26 3.338 -6.018 -14.643 1.00 0.00 H new ATOM 0 HA LEU A 26 4.395 -4.086 -16.619 1.00 0.00 H new ATOM 0 HB2 LEU A 26 5.813 -5.617 -15.009 1.00 0.00 H new ATOM 0 HB3 LEU A 26 5.416 -6.885 -16.151 1.00 0.00 H new ATOM 0 HG LEU A 26 6.425 -5.510 -17.988 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.892 -3.585 -17.405 1.00 0.00 H new ATOM 0 HD12 LEU A 26 6.185 -3.265 -17.017 1.00 0.00 H new ATOM 0 HD13 LEU A 26 7.329 -3.681 -15.719 1.00 0.00 H new ATOM 0 HD21 LEU A 26 8.790 -5.892 -17.348 1.00 0.00 H new ATOM 0 HD22 LEU A 26 8.283 -6.132 -15.659 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.749 -7.270 -16.918 1.00 0.00 H new ATOM 87 N THR A 27 3.318 -5.135 -18.632 1.00 0.00 N ATOM 88 CA THR A 27 2.664 -5.677 -19.822 1.00 0.00 C ATOM 89 C THR A 27 3.581 -6.726 -20.499 1.00 0.00 C ATOM 90 O THR A 27 4.806 -6.566 -20.473 1.00 0.00 O ATOM 91 CB THR A 27 2.281 -4.524 -20.813 1.00 0.00 C ATOM 92 OG1 THR A 27 3.439 -3.734 -21.123 1.00 0.00 O ATOM 93 CG2 THR A 27 1.179 -3.614 -20.229 1.00 0.00 C ATOM 0 H THR A 27 3.670 -4.185 -18.753 1.00 0.00 H new ATOM 0 HA THR A 27 1.741 -6.175 -19.526 1.00 0.00 H new ATOM 0 HB THR A 27 1.895 -4.986 -21.722 1.00 0.00 H new ATOM 0 HG1 THR A 27 3.580 -3.727 -22.093 1.00 0.00 H new ATOM 0 HG21 THR A 27 0.940 -2.827 -20.944 1.00 0.00 H new ATOM 0 HG22 THR A 27 0.286 -4.206 -20.030 1.00 0.00 H new ATOM 0 HG23 THR A 27 1.532 -3.166 -19.300 1.00 0.00 H new ATOM 101 N PRO A 28 2.983 -7.837 -21.077 1.00 0.00 N ATOM 102 CA PRO A 28 3.725 -8.949 -21.738 1.00 0.00 C ATOM 103 C PRO A 28 4.879 -8.520 -22.678 1.00 0.00 C ATOM 104 O PRO A 28 5.901 -9.203 -22.758 1.00 0.00 O ATOM 105 CB PRO A 28 2.614 -9.659 -22.539 1.00 0.00 C ATOM 106 CG PRO A 28 1.373 -9.471 -21.724 1.00 0.00 C ATOM 107 CD PRO A 28 1.513 -8.107 -21.077 1.00 0.00 C ATOM 0 HA PRO A 28 4.239 -9.560 -20.996 1.00 0.00 H new ATOM 0 HB2 PRO A 28 2.504 -9.225 -23.533 1.00 0.00 H new ATOM 0 HB3 PRO A 28 2.840 -10.716 -22.677 1.00 0.00 H new ATOM 0 HG2 PRO A 28 0.482 -9.518 -22.350 1.00 0.00 H new ATOM 0 HG3 PRO A 28 1.276 -10.254 -20.972 1.00 0.00 H new ATOM 0 HD2 PRO A 28 0.970 -7.345 -21.637 1.00 0.00 H new ATOM 0 HD3 PRO A 28 1.110 -8.106 -20.064 1.00 0.00 H new ATOM 115 N GLU A 29 4.702 -7.389 -23.373 1.00 0.00 N ATOM 116 CA GLU A 29 5.692 -6.855 -24.330 1.00 0.00 C ATOM 117 C GLU A 29 6.944 -6.343 -23.590 1.00 0.00 C ATOM 118 O GLU A 29 8.081 -6.616 -24.003 1.00 0.00 O ATOM 119 CB GLU A 29 5.035 -5.731 -25.177 1.00 0.00 C ATOM 120 CG GLU A 29 5.927 -5.147 -26.293 1.00 0.00 C ATOM 121 CD GLU A 29 5.177 -4.164 -27.205 1.00 0.00 C ATOM 122 OE1 GLU A 29 4.538 -4.610 -28.187 1.00 0.00 O ATOM 123 OE2 GLU A 29 5.207 -2.949 -26.942 1.00 0.00 O ATOM 0 H GLU A 29 3.865 -6.812 -23.290 1.00 0.00 H new ATOM 0 HA GLU A 29 6.015 -7.652 -24.999 1.00 0.00 H new ATOM 0 HB2 GLU A 29 4.124 -6.123 -25.629 1.00 0.00 H new ATOM 0 HB3 GLU A 29 4.737 -4.922 -24.510 1.00 0.00 H new ATOM 0 HG2 GLU A 29 6.779 -4.638 -25.842 1.00 0.00 H new ATOM 0 HG3 GLU A 29 6.326 -5.962 -26.896 1.00 0.00 H new ATOM 130 N GLN A 30 6.715 -5.608 -22.484 1.00 0.00 N ATOM 131 CA GLN A 30 7.797 -5.081 -21.631 1.00 0.00 C ATOM 132 C GLN A 30 8.504 -6.236 -20.897 1.00 0.00 C ATOM 133 O GLN A 30 9.726 -6.252 -20.780 1.00 0.00 O ATOM 134 CB GLN A 30 7.248 -4.044 -20.610 1.00 0.00 C ATOM 135 CG GLN A 30 6.528 -2.832 -21.231 1.00 0.00 C ATOM 136 CD GLN A 30 7.375 -2.081 -22.256 1.00 0.00 C ATOM 137 OE1 GLN A 30 7.305 -2.352 -23.457 1.00 0.00 O ATOM 138 NE2 GLN A 30 8.206 -1.157 -21.790 1.00 0.00 N ATOM 0 H GLN A 30 5.780 -5.364 -22.159 1.00 0.00 H new ATOM 0 HA GLN A 30 8.520 -4.574 -22.270 1.00 0.00 H new ATOM 0 HB2 GLN A 30 6.557 -4.551 -19.937 1.00 0.00 H new ATOM 0 HB3 GLN A 30 8.077 -3.682 -20.002 1.00 0.00 H new ATOM 0 HG2 GLN A 30 5.609 -3.171 -21.709 1.00 0.00 H new ATOM 0 HG3 GLN A 30 6.239 -2.144 -20.436 1.00 0.00 H new ATOM 0 HE21 GLN A 30 8.238 -0.958 -20.790 1.00 0.00 H new ATOM 0 HE22 GLN A 30 8.812 -0.646 -22.432 1.00 0.00 H new ATOM 147 N ALA A 31 7.706 -7.218 -20.452 1.00 0.00 N ATOM 148 CA ALA A 31 8.180 -8.393 -19.691 1.00 0.00 C ATOM 149 C ALA A 31 8.978 -9.371 -20.573 1.00 0.00 C ATOM 150 O ALA A 31 9.837 -10.110 -20.075 1.00 0.00 O ATOM 151 CB ALA A 31 6.980 -9.093 -19.049 1.00 0.00 C ATOM 0 H ALA A 31 6.698 -7.222 -20.611 1.00 0.00 H new ATOM 0 HA ALA A 31 8.862 -8.047 -18.914 1.00 0.00 H new ATOM 0 HB1 ALA A 31 7.323 -9.961 -18.486 1.00 0.00 H new ATOM 0 HB2 ALA A 31 6.473 -8.402 -18.376 1.00 0.00 H new ATOM 0 HB3 ALA A 31 6.288 -9.416 -19.827 1.00 0.00 H new ATOM 157 N ALA A 32 8.676 -9.370 -21.884 1.00 0.00 N ATOM 158 CA ALA A 32 9.424 -10.154 -22.885 1.00 0.00 C ATOM 159 C ALA A 32 10.836 -9.573 -23.066 1.00 0.00 C ATOM 160 O ALA A 32 11.810 -10.313 -23.253 1.00 0.00 O ATOM 161 CB ALA A 32 8.668 -10.171 -24.223 1.00 0.00 C ATOM 0 H ALA A 32 7.908 -8.827 -22.279 1.00 0.00 H new ATOM 0 HA ALA A 32 9.516 -11.181 -22.531 1.00 0.00 H new ATOM 0 HB1 ALA A 32 9.232 -10.753 -24.952 1.00 0.00 H new ATOM 0 HB2 ALA A 32 7.686 -10.622 -24.080 1.00 0.00 H new ATOM 0 HB3 ALA A 32 8.550 -9.150 -24.587 1.00 0.00 H new ATOM 167 N ALA A 33 10.920 -8.233 -22.992 1.00 0.00 N ATOM 168 CA ALA A 33 12.177 -7.488 -23.147 1.00 0.00 C ATOM 169 C ALA A 33 13.026 -7.540 -21.861 1.00 0.00 C ATOM 170 O ALA A 33 14.248 -7.680 -21.926 1.00 0.00 O ATOM 171 CB ALA A 33 11.874 -6.035 -23.541 1.00 0.00 C ATOM 0 H ALA A 33 10.111 -7.635 -22.822 1.00 0.00 H new ATOM 0 HA ALA A 33 12.759 -7.958 -23.939 1.00 0.00 H new ATOM 0 HB1 ALA A 33 12.809 -5.486 -23.655 1.00 0.00 H new ATOM 0 HB2 ALA A 33 11.327 -6.020 -24.484 1.00 0.00 H new ATOM 0 HB3 ALA A 33 11.270 -5.566 -22.764 1.00 0.00 H new ATOM 177 N LEU A 34 12.361 -7.431 -20.698 1.00 0.00 N ATOM 178 CA LEU A 34 13.032 -7.333 -19.385 1.00 0.00 C ATOM 179 C LEU A 34 13.282 -8.725 -18.781 1.00 0.00 C ATOM 180 O LEU A 34 12.613 -9.700 -19.134 1.00 0.00 O ATOM 181 CB LEU A 34 12.185 -6.474 -18.406 1.00 0.00 C ATOM 182 CG LEU A 34 11.948 -4.986 -18.825 1.00 0.00 C ATOM 183 CD1 LEU A 34 11.092 -4.234 -17.781 1.00 0.00 C ATOM 184 CD2 LEU A 34 13.287 -4.259 -19.084 1.00 0.00 C ATOM 0 H LEU A 34 11.343 -7.408 -20.639 1.00 0.00 H new ATOM 0 HA LEU A 34 13.997 -6.850 -19.540 1.00 0.00 H new ATOM 0 HB2 LEU A 34 11.214 -6.954 -18.280 1.00 0.00 H new ATOM 0 HB3 LEU A 34 12.673 -6.482 -17.432 1.00 0.00 H new ATOM 0 HG LEU A 34 11.389 -4.993 -19.760 1.00 0.00 H new ATOM 0 HD11 LEU A 34 10.947 -3.203 -18.104 1.00 0.00 H new ATOM 0 HD12 LEU A 34 10.123 -4.724 -17.684 1.00 0.00 H new ATOM 0 HD13 LEU A 34 11.601 -4.244 -16.817 1.00 0.00 H new ATOM 0 HD21 LEU A 34 13.090 -3.227 -19.374 1.00 0.00 H new ATOM 0 HD22 LEU A 34 13.890 -4.273 -18.176 1.00 0.00 H new ATOM 0 HD23 LEU A 34 13.826 -4.764 -19.885 1.00 0.00 H new ATOM 196 N LYS A 35 14.265 -8.789 -17.870 1.00 0.00 N ATOM 197 CA LYS A 35 14.602 -10.000 -17.109 1.00 0.00 C ATOM 198 C LYS A 35 14.201 -9.776 -15.634 1.00 0.00 C ATOM 199 O LYS A 35 14.588 -8.749 -15.060 1.00 0.00 O ATOM 200 CB LYS A 35 16.131 -10.286 -17.192 1.00 0.00 C ATOM 201 CG LYS A 35 16.563 -11.649 -16.582 1.00 0.00 C ATOM 202 CD LYS A 35 18.101 -11.800 -16.452 1.00 0.00 C ATOM 203 CE LYS A 35 18.685 -10.928 -15.329 1.00 0.00 C ATOM 204 NZ LYS A 35 18.148 -11.323 -13.998 1.00 0.00 N ATOM 0 H LYS A 35 14.855 -7.990 -17.639 1.00 0.00 H new ATOM 0 HA LYS A 35 14.067 -10.853 -17.526 1.00 0.00 H new ATOM 0 HB2 LYS A 35 16.438 -10.256 -18.238 1.00 0.00 H new ATOM 0 HB3 LYS A 35 16.666 -9.486 -16.680 1.00 0.00 H new ATOM 0 HG2 LYS A 35 16.109 -11.759 -15.597 1.00 0.00 H new ATOM 0 HG3 LYS A 35 16.176 -12.457 -17.203 1.00 0.00 H new ATOM 0 HD2 LYS A 35 18.345 -12.845 -16.261 1.00 0.00 H new ATOM 0 HD3 LYS A 35 18.571 -11.531 -17.398 1.00 0.00 H new ATOM 0 HE2 LYS A 35 19.771 -11.017 -15.325 1.00 0.00 H new ATOM 0 HE3 LYS A 35 18.451 -9.881 -15.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 18.714 -10.876 -13.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 17.159 -11.012 -13.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 18.195 -12.357 -13.898 1.00 0.00 H new ATOM 218 N PRO A 36 13.423 -10.708 -14.998 1.00 0.00 N ATOM 219 CA PRO A 36 13.096 -10.612 -13.558 1.00 0.00 C ATOM 220 C PRO A 36 14.319 -10.932 -12.678 1.00 0.00 C ATOM 221 O PRO A 36 15.282 -11.565 -13.143 1.00 0.00 O ATOM 222 CB PRO A 36 11.980 -11.664 -13.385 1.00 0.00 C ATOM 223 CG PRO A 36 12.280 -12.693 -14.428 1.00 0.00 C ATOM 224 CD PRO A 36 12.804 -11.915 -15.619 1.00 0.00 C ATOM 0 HA PRO A 36 12.790 -9.611 -13.254 1.00 0.00 H new ATOM 0 HB2 PRO A 36 11.992 -12.096 -12.384 1.00 0.00 H new ATOM 0 HB3 PRO A 36 10.993 -11.225 -13.531 1.00 0.00 H new ATOM 0 HG2 PRO A 36 13.019 -13.411 -14.071 1.00 0.00 H new ATOM 0 HG3 PRO A 36 11.386 -13.259 -14.690 1.00 0.00 H new ATOM 0 HD2 PRO A 36 13.533 -12.493 -16.187 1.00 0.00 H new ATOM 0 HD3 PRO A 36 12.003 -11.647 -16.308 1.00 0.00 H new ATOM 232 N TYR A 37 14.277 -10.482 -11.418 1.00 0.00 N ATOM 233 CA TYR A 37 15.320 -10.803 -10.420 1.00 0.00 C ATOM 234 C TYR A 37 14.877 -12.002 -9.554 1.00 0.00 C ATOM 235 O TYR A 37 15.700 -12.614 -8.858 1.00 0.00 O ATOM 236 CB TYR A 37 15.653 -9.564 -9.533 1.00 0.00 C ATOM 237 CG TYR A 37 14.587 -9.187 -8.482 1.00 0.00 C ATOM 238 CD1 TYR A 37 13.431 -8.492 -8.839 1.00 0.00 C ATOM 239 CD2 TYR A 37 14.742 -9.533 -7.130 1.00 0.00 C ATOM 240 CE1 TYR A 37 12.479 -8.159 -7.896 1.00 0.00 C ATOM 241 CE2 TYR A 37 13.787 -9.199 -6.192 1.00 0.00 C ATOM 242 CZ TYR A 37 12.664 -8.515 -6.579 1.00 0.00 C ATOM 243 OH TYR A 37 11.719 -8.179 -5.642 1.00 0.00 O ATOM 0 H TYR A 37 13.529 -9.890 -11.058 1.00 0.00 H new ATOM 0 HA TYR A 37 16.231 -11.078 -10.952 1.00 0.00 H new ATOM 0 HB2 TYR A 37 16.595 -9.752 -9.017 1.00 0.00 H new ATOM 0 HB3 TYR A 37 15.813 -8.706 -10.185 1.00 0.00 H new ATOM 0 HD1 TYR A 37 13.278 -8.210 -9.870 1.00 0.00 H new ATOM 0 HD2 TYR A 37 15.625 -10.071 -6.819 1.00 0.00 H new ATOM 0 HE1 TYR A 37 11.591 -7.620 -8.191 1.00 0.00 H new ATOM 0 HE2 TYR A 37 13.924 -9.475 -5.157 1.00 0.00 H new ATOM 0 HH TYR A 37 12.155 -7.748 -4.877 1.00 0.00 H new ATOM 253 N ASP A 38 13.571 -12.329 -9.625 1.00 0.00 N ATOM 254 CA ASP A 38 12.943 -13.374 -8.812 1.00 0.00 C ATOM 255 C ASP A 38 11.634 -13.849 -9.483 1.00 0.00 C ATOM 256 O ASP A 38 11.038 -13.117 -10.277 1.00 0.00 O ATOM 257 CB ASP A 38 12.678 -12.822 -7.380 1.00 0.00 C ATOM 258 CG ASP A 38 11.969 -13.822 -6.448 1.00 0.00 C ATOM 259 OD1 ASP A 38 12.662 -14.615 -5.784 1.00 0.00 O ATOM 260 OD2 ASP A 38 10.723 -13.814 -6.372 1.00 0.00 O ATOM 0 H ASP A 38 12.920 -11.865 -10.259 1.00 0.00 H new ATOM 0 HA ASP A 38 13.608 -14.234 -8.733 1.00 0.00 H new ATOM 0 HB2 ASP A 38 13.628 -12.533 -6.931 1.00 0.00 H new ATOM 0 HB3 ASP A 38 12.073 -11.919 -7.456 1.00 0.00 H new ATOM 265 N ARG A 39 11.233 -15.099 -9.179 1.00 0.00 N ATOM 266 CA ARG A 39 9.934 -15.679 -9.569 1.00 0.00 C ATOM 267 C ARG A 39 9.215 -16.174 -8.306 1.00 0.00 C ATOM 268 O ARG A 39 9.803 -16.912 -7.507 1.00 0.00 O ATOM 269 CB ARG A 39 10.126 -16.857 -10.562 1.00 0.00 C ATOM 270 CG ARG A 39 10.787 -16.473 -11.906 1.00 0.00 C ATOM 271 CD ARG A 39 11.125 -17.707 -12.758 1.00 0.00 C ATOM 272 NE ARG A 39 12.063 -18.605 -12.051 1.00 0.00 N ATOM 273 CZ ARG A 39 12.395 -19.849 -12.430 1.00 0.00 C ATOM 274 NH1 ARG A 39 11.885 -20.405 -13.528 1.00 0.00 N ATOM 275 NH2 ARG A 39 13.238 -20.545 -11.695 1.00 0.00 N ATOM 0 H ARG A 39 11.814 -15.745 -8.645 1.00 0.00 H new ATOM 0 HA ARG A 39 9.338 -14.914 -10.067 1.00 0.00 H new ATOM 0 HB2 ARG A 39 10.733 -17.624 -10.081 1.00 0.00 H new ATOM 0 HB3 ARG A 39 9.153 -17.303 -10.767 1.00 0.00 H new ATOM 0 HG2 ARG A 39 10.117 -15.819 -12.465 1.00 0.00 H new ATOM 0 HG3 ARG A 39 11.698 -15.906 -11.713 1.00 0.00 H new ATOM 0 HD2 ARG A 39 10.210 -18.249 -12.997 1.00 0.00 H new ATOM 0 HD3 ARG A 39 11.564 -17.390 -13.704 1.00 0.00 H new ATOM 0 HE ARG A 39 12.496 -18.247 -11.200 1.00 0.00 H new ATOM 0 HH11 ARG A 39 11.225 -19.883 -14.104 1.00 0.00 H new ATOM 0 HH12 ARG A 39 12.155 -21.352 -13.792 1.00 0.00 H new ATOM 0 HH21 ARG A 39 13.632 -20.138 -10.847 1.00 0.00 H new ATOM 0 HH22 ARG A 39 13.497 -21.491 -11.974 1.00 0.00 H new ATOM 289 N ILE A 40 7.967 -15.733 -8.118 1.00 0.00 N ATOM 290 CA ILE A 40 7.095 -16.167 -7.007 1.00 0.00 C ATOM 291 C ILE A 40 6.038 -17.175 -7.507 1.00 0.00 C ATOM 292 O ILE A 40 5.765 -17.274 -8.712 1.00 0.00 O ATOM 293 CB ILE A 40 6.383 -14.931 -6.319 1.00 0.00 C ATOM 294 CG1 ILE A 40 5.391 -14.214 -7.300 1.00 0.00 C ATOM 295 CG2 ILE A 40 7.435 -13.926 -5.776 1.00 0.00 C ATOM 296 CD1 ILE A 40 4.628 -13.046 -6.699 1.00 0.00 C ATOM 0 H ILE A 40 7.523 -15.056 -8.738 1.00 0.00 H new ATOM 0 HA ILE A 40 7.725 -16.655 -6.264 1.00 0.00 H new ATOM 0 HB ILE A 40 5.800 -15.313 -5.481 1.00 0.00 H new ATOM 0 HG12 ILE A 40 5.952 -13.857 -8.164 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.673 -14.947 -7.668 1.00 0.00 H new ATOM 0 HG21 ILE A 40 6.926 -13.084 -5.307 1.00 0.00 H new ATOM 0 HG22 ILE A 40 8.067 -14.423 -5.040 1.00 0.00 H new ATOM 0 HG23 ILE A 40 8.052 -13.564 -6.599 1.00 0.00 H new ATOM 0 HD11 ILE A 40 3.969 -12.616 -7.453 1.00 0.00 H new ATOM 0 HD12 ILE A 40 4.034 -13.395 -5.854 1.00 0.00 H new ATOM 0 HD13 ILE A 40 5.333 -12.288 -6.358 1.00 0.00 H new ATOM 308 N VAL A 41 5.451 -17.918 -6.557 1.00 0.00 N ATOM 309 CA VAL A 41 4.370 -18.880 -6.817 1.00 0.00 C ATOM 310 C VAL A 41 3.300 -18.776 -5.711 1.00 0.00 C ATOM 311 O VAL A 41 3.618 -18.781 -4.512 1.00 0.00 O ATOM 312 CB VAL A 41 4.911 -20.368 -6.946 1.00 0.00 C ATOM 313 CG1 VAL A 41 5.770 -20.788 -5.724 1.00 0.00 C ATOM 314 CG2 VAL A 41 3.751 -21.369 -7.173 1.00 0.00 C ATOM 0 H VAL A 41 5.717 -17.867 -5.574 1.00 0.00 H new ATOM 0 HA VAL A 41 3.919 -18.626 -7.776 1.00 0.00 H new ATOM 0 HB VAL A 41 5.560 -20.392 -7.821 1.00 0.00 H new ATOM 0 HG11 VAL A 41 6.117 -21.813 -5.858 1.00 0.00 H new ATOM 0 HG12 VAL A 41 6.629 -20.122 -5.637 1.00 0.00 H new ATOM 0 HG13 VAL A 41 5.168 -20.724 -4.817 1.00 0.00 H new ATOM 0 HG21 VAL A 41 4.153 -22.379 -7.257 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.060 -21.323 -6.331 1.00 0.00 H new ATOM 0 HG23 VAL A 41 3.222 -21.111 -8.091 1.00 0.00 H new ATOM 324 N ILE A 42 2.029 -18.649 -6.133 1.00 0.00 N ATOM 325 CA ILE A 42 0.851 -18.651 -5.244 1.00 0.00 C ATOM 326 C ILE A 42 -0.158 -19.697 -5.760 1.00 0.00 C ATOM 327 O ILE A 42 -0.021 -20.201 -6.885 1.00 0.00 O ATOM 328 CB ILE A 42 0.157 -17.235 -5.157 1.00 0.00 C ATOM 329 CG1 ILE A 42 -0.354 -16.779 -6.562 1.00 0.00 C ATOM 330 CG2 ILE A 42 1.110 -16.176 -4.534 1.00 0.00 C ATOM 331 CD1 ILE A 42 -1.240 -15.555 -6.547 1.00 0.00 C ATOM 0 H ILE A 42 1.787 -18.540 -7.118 1.00 0.00 H new ATOM 0 HA ILE A 42 1.188 -18.902 -4.238 1.00 0.00 H new ATOM 0 HB ILE A 42 -0.707 -17.326 -4.498 1.00 0.00 H new ATOM 0 HG12 ILE A 42 0.508 -16.579 -7.199 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.903 -17.602 -7.018 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.603 -15.212 -4.488 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.391 -16.487 -3.528 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.005 -16.086 -5.149 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.545 -15.314 -7.565 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.124 -15.753 -5.940 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.691 -14.714 -6.124 1.00 0.00 H new ATOM 343 N THR A 43 -1.149 -20.030 -4.921 1.00 0.00 N ATOM 344 CA THR A 43 -2.247 -20.955 -5.263 1.00 0.00 C ATOM 345 C THR A 43 -3.495 -20.531 -4.466 1.00 0.00 C ATOM 346 O THR A 43 -3.411 -20.314 -3.252 1.00 0.00 O ATOM 347 CB THR A 43 -1.883 -22.458 -4.933 1.00 0.00 C ATOM 348 OG1 THR A 43 -0.624 -22.820 -5.539 1.00 0.00 O ATOM 349 CG2 THR A 43 -2.966 -23.442 -5.421 1.00 0.00 C ATOM 0 H THR A 43 -1.214 -19.661 -3.972 1.00 0.00 H new ATOM 0 HA THR A 43 -2.431 -20.901 -6.336 1.00 0.00 H new ATOM 0 HB THR A 43 -1.814 -22.529 -3.848 1.00 0.00 H new ATOM 0 HG1 THR A 43 -0.413 -23.753 -5.323 1.00 0.00 H new ATOM 0 HG21 THR A 43 -2.671 -24.461 -5.171 1.00 0.00 H new ATOM 0 HG22 THR A 43 -3.914 -23.210 -4.936 1.00 0.00 H new ATOM 0 HG23 THR A 43 -3.080 -23.351 -6.501 1.00 0.00 H new ATOM 357 N GLY A 44 -4.645 -20.396 -5.155 1.00 0.00 N ATOM 358 CA GLY A 44 -5.902 -19.974 -4.525 1.00 0.00 C ATOM 359 C GLY A 44 -7.067 -20.856 -4.945 1.00 0.00 C ATOM 360 O GLY A 44 -7.236 -21.133 -6.133 1.00 0.00 O ATOM 0 H GLY A 44 -4.724 -20.576 -6.156 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -5.794 -20.006 -3.441 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -6.114 -18.939 -4.794 1.00 0.00 H new ATOM 364 N ARG A 45 -7.885 -21.295 -3.967 1.00 0.00 N ATOM 365 CA ARG A 45 -9.058 -22.149 -4.220 1.00 0.00 C ATOM 366 C ARG A 45 -10.342 -21.298 -4.207 1.00 0.00 C ATOM 367 O ARG A 45 -10.600 -20.587 -3.231 1.00 0.00 O ATOM 368 CB ARG A 45 -9.135 -23.286 -3.171 1.00 0.00 C ATOM 369 CG ARG A 45 -10.268 -24.305 -3.422 1.00 0.00 C ATOM 370 CD ARG A 45 -10.361 -25.390 -2.337 1.00 0.00 C ATOM 371 NE ARG A 45 -9.140 -26.219 -2.261 1.00 0.00 N ATOM 372 CZ ARG A 45 -9.075 -27.533 -2.524 1.00 0.00 C ATOM 373 NH1 ARG A 45 -10.106 -28.171 -3.053 1.00 0.00 N ATOM 374 NH2 ARG A 45 -7.954 -28.191 -2.293 1.00 0.00 N ATOM 0 H ARG A 45 -7.749 -21.067 -2.982 1.00 0.00 H new ATOM 0 HA ARG A 45 -8.958 -22.606 -5.204 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -8.182 -23.816 -3.156 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -9.271 -22.845 -2.183 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -11.219 -23.775 -3.478 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -10.111 -24.781 -4.390 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -10.537 -24.919 -1.370 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -11.219 -26.030 -2.540 1.00 0.00 H new ATOM 0 HE ARG A 45 -8.275 -25.754 -1.986 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -10.965 -27.664 -3.266 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -10.042 -29.170 -3.248 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -7.143 -27.700 -1.916 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -7.899 -29.190 -2.491 1.00 0.00 H new ATOM 388 N PHE A 46 -11.109 -21.359 -5.323 1.00 0.00 N ATOM 389 CA PHE A 46 -12.376 -20.594 -5.534 1.00 0.00 C ATOM 390 C PHE A 46 -12.163 -19.057 -5.545 1.00 0.00 C ATOM 391 O PHE A 46 -13.136 -18.291 -5.528 1.00 0.00 O ATOM 392 CB PHE A 46 -13.469 -20.994 -4.495 1.00 0.00 C ATOM 393 CG PHE A 46 -13.952 -22.435 -4.620 1.00 0.00 C ATOM 394 CD1 PHE A 46 -14.602 -22.867 -5.773 1.00 0.00 C ATOM 395 CD2 PHE A 46 -13.771 -23.354 -3.585 1.00 0.00 C ATOM 396 CE1 PHE A 46 -15.049 -24.168 -5.888 1.00 0.00 C ATOM 397 CE2 PHE A 46 -14.218 -24.655 -3.704 1.00 0.00 C ATOM 398 CZ PHE A 46 -14.859 -25.059 -4.856 1.00 0.00 C ATOM 0 H PHE A 46 -10.866 -21.949 -6.119 1.00 0.00 H new ATOM 0 HA PHE A 46 -12.729 -20.870 -6.528 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -13.073 -20.841 -3.491 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -14.323 -20.325 -4.607 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -14.758 -22.176 -6.588 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -13.274 -23.043 -2.678 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -15.549 -24.488 -6.790 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -14.066 -25.355 -2.896 1.00 0.00 H new ATOM 0 HZ PHE A 46 -15.212 -26.075 -4.949 1.00 0.00 H new ATOM 408 N ASN A 47 -10.893 -18.626 -5.614 1.00 0.00 N ATOM 409 CA ASN A 47 -10.523 -17.202 -5.672 1.00 0.00 C ATOM 410 C ASN A 47 -10.699 -16.664 -7.099 1.00 0.00 C ATOM 411 O ASN A 47 -10.566 -17.408 -8.077 1.00 0.00 O ATOM 412 CB ASN A 47 -9.062 -17.002 -5.178 1.00 0.00 C ATOM 413 CG ASN A 47 -8.918 -17.161 -3.661 1.00 0.00 C ATOM 414 OD1 ASN A 47 -9.014 -16.193 -2.907 1.00 0.00 O ATOM 415 ND2 ASN A 47 -8.719 -18.387 -3.199 1.00 0.00 N ATOM 0 H ASN A 47 -10.092 -19.257 -5.631 1.00 0.00 H new ATOM 0 HA ASN A 47 -11.184 -16.640 -5.012 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -8.413 -17.722 -5.677 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -8.718 -16.009 -5.468 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -8.641 -18.547 -2.195 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -8.643 -19.170 -3.848 1.00 0.00 H new ATOM 422 N ALA A 48 -11.032 -15.373 -7.202 1.00 0.00 N ATOM 423 CA ALA A 48 -11.145 -14.679 -8.488 1.00 0.00 C ATOM 424 C ALA A 48 -9.759 -14.220 -8.970 1.00 0.00 C ATOM 425 O ALA A 48 -8.777 -14.250 -8.206 1.00 0.00 O ATOM 426 CB ALA A 48 -12.102 -13.483 -8.368 1.00 0.00 C ATOM 0 H ALA A 48 -11.231 -14.780 -6.396 1.00 0.00 H new ATOM 0 HA ALA A 48 -11.553 -15.371 -9.224 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -12.175 -12.978 -9.331 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -13.089 -13.835 -8.067 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -11.722 -12.786 -7.621 1.00 0.00 H new ATOM 432 N ILE A 49 -9.689 -13.791 -10.244 1.00 0.00 N ATOM 433 CA ILE A 49 -8.455 -13.226 -10.835 1.00 0.00 C ATOM 434 C ILE A 49 -7.973 -12.008 -10.020 1.00 0.00 C ATOM 435 O ILE A 49 -6.776 -11.777 -9.898 1.00 0.00 O ATOM 436 CB ILE A 49 -8.664 -12.837 -12.350 1.00 0.00 C ATOM 437 CG1 ILE A 49 -7.334 -12.336 -13.028 1.00 0.00 C ATOM 438 CG2 ILE A 49 -9.796 -11.797 -12.507 1.00 0.00 C ATOM 439 CD1 ILE A 49 -6.212 -13.370 -13.085 1.00 0.00 C ATOM 0 H ILE A 49 -10.477 -13.824 -10.890 1.00 0.00 H new ATOM 0 HA ILE A 49 -7.685 -13.997 -10.797 1.00 0.00 H new ATOM 0 HB ILE A 49 -8.962 -13.746 -12.872 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -7.561 -12.011 -14.043 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -6.975 -11.461 -12.486 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -9.918 -11.548 -13.561 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -10.728 -12.212 -12.123 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -9.543 -10.896 -11.948 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -5.338 -12.933 -13.569 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -5.950 -13.679 -12.073 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -6.545 -14.238 -13.654 1.00 0.00 H new ATOM 451 N GLY A 50 -8.938 -11.270 -9.434 1.00 0.00 N ATOM 452 CA GLY A 50 -8.648 -10.140 -8.557 1.00 0.00 C ATOM 453 C GLY A 50 -7.782 -10.527 -7.363 1.00 0.00 C ATOM 454 O GLY A 50 -6.807 -9.838 -7.059 1.00 0.00 O ATOM 0 H GLY A 50 -9.934 -11.448 -9.561 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -8.143 -9.362 -9.129 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -9.585 -9.715 -8.198 1.00 0.00 H new ATOM 458 N ASP A 51 -8.128 -11.661 -6.713 1.00 0.00 N ATOM 459 CA ASP A 51 -7.399 -12.186 -5.528 1.00 0.00 C ATOM 460 C ASP A 51 -5.987 -12.647 -5.917 1.00 0.00 C ATOM 461 O ASP A 51 -5.039 -12.475 -5.143 1.00 0.00 O ATOM 462 CB ASP A 51 -8.162 -13.366 -4.883 1.00 0.00 C ATOM 463 CG ASP A 51 -9.568 -12.969 -4.402 1.00 0.00 C ATOM 464 OD1 ASP A 51 -9.710 -12.486 -3.253 1.00 0.00 O ATOM 465 OD2 ASP A 51 -10.537 -13.125 -5.174 1.00 0.00 O ATOM 0 H ASP A 51 -8.920 -12.240 -6.992 1.00 0.00 H new ATOM 0 HA ASP A 51 -7.326 -11.374 -4.804 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -8.245 -14.178 -5.605 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -7.587 -13.747 -4.039 1.00 0.00 H new ATOM 470 N ALA A 52 -5.877 -13.247 -7.120 1.00 0.00 N ATOM 471 CA ALA A 52 -4.596 -13.744 -7.667 1.00 0.00 C ATOM 472 C ALA A 52 -3.626 -12.579 -7.924 1.00 0.00 C ATOM 473 O ALA A 52 -2.500 -12.579 -7.427 1.00 0.00 O ATOM 474 CB ALA A 52 -4.826 -14.555 -8.956 1.00 0.00 C ATOM 0 H ALA A 52 -6.672 -13.401 -7.740 1.00 0.00 H new ATOM 0 HA ALA A 52 -4.147 -14.406 -6.927 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -3.869 -14.909 -9.339 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -5.469 -15.408 -8.739 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -5.304 -13.922 -9.704 1.00 0.00 H new ATOM 480 N VAL A 53 -4.102 -11.579 -8.683 1.00 0.00 N ATOM 481 CA VAL A 53 -3.347 -10.349 -8.998 1.00 0.00 C ATOM 482 C VAL A 53 -2.988 -9.577 -7.706 1.00 0.00 C ATOM 483 O VAL A 53 -1.896 -9.016 -7.601 1.00 0.00 O ATOM 484 CB VAL A 53 -4.161 -9.429 -9.994 1.00 0.00 C ATOM 485 CG1 VAL A 53 -3.449 -8.078 -10.257 1.00 0.00 C ATOM 486 CG2 VAL A 53 -4.436 -10.171 -11.332 1.00 0.00 C ATOM 0 H VAL A 53 -5.032 -11.599 -9.101 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.418 -10.639 -9.488 1.00 0.00 H new ATOM 0 HB VAL A 53 -5.114 -9.205 -9.515 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -4.045 -7.481 -10.947 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.333 -7.539 -9.317 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -2.467 -8.263 -10.693 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.997 -9.519 -12.001 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -3.489 -10.442 -11.799 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.015 -11.073 -11.135 1.00 0.00 H new ATOM 496 N SER A 54 -3.911 -9.602 -6.727 1.00 0.00 N ATOM 497 CA SER A 54 -3.732 -8.960 -5.409 1.00 0.00 C ATOM 498 C SER A 54 -2.589 -9.626 -4.622 1.00 0.00 C ATOM 499 O SER A 54 -1.778 -8.942 -4.010 1.00 0.00 O ATOM 500 CB SER A 54 -5.046 -9.026 -4.595 1.00 0.00 C ATOM 501 OG SER A 54 -4.903 -8.469 -3.296 1.00 0.00 O ATOM 0 H SER A 54 -4.810 -10.072 -6.828 1.00 0.00 H new ATOM 0 HA SER A 54 -3.470 -7.915 -5.576 1.00 0.00 H new ATOM 0 HB2 SER A 54 -5.831 -8.493 -5.132 1.00 0.00 H new ATOM 0 HB3 SER A 54 -5.366 -10.064 -4.510 1.00 0.00 H new ATOM 0 HG SER A 54 -5.756 -8.530 -2.818 1.00 0.00 H new ATOM 507 N ALA A 55 -2.546 -10.969 -4.661 1.00 0.00 N ATOM 508 CA ALA A 55 -1.557 -11.775 -3.918 1.00 0.00 C ATOM 509 C ALA A 55 -0.158 -11.682 -4.559 1.00 0.00 C ATOM 510 O ALA A 55 0.858 -11.658 -3.855 1.00 0.00 O ATOM 511 CB ALA A 55 -2.031 -13.232 -3.833 1.00 0.00 C ATOM 0 H ALA A 55 -3.198 -11.530 -5.210 1.00 0.00 H new ATOM 0 HA ALA A 55 -1.474 -11.374 -2.908 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -1.297 -13.822 -3.284 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -2.990 -13.273 -3.316 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -2.143 -13.637 -4.839 1.00 0.00 H new ATOM 517 N VAL A 56 -0.126 -11.640 -5.906 1.00 0.00 N ATOM 518 CA VAL A 56 1.113 -11.419 -6.677 1.00 0.00 C ATOM 519 C VAL A 56 1.674 -10.003 -6.406 1.00 0.00 C ATOM 520 O VAL A 56 2.867 -9.844 -6.156 1.00 0.00 O ATOM 521 CB VAL A 56 0.888 -11.626 -8.227 1.00 0.00 C ATOM 522 CG1 VAL A 56 2.146 -11.255 -9.042 1.00 0.00 C ATOM 523 CG2 VAL A 56 0.460 -13.078 -8.548 1.00 0.00 C ATOM 0 H VAL A 56 -0.955 -11.758 -6.488 1.00 0.00 H new ATOM 0 HA VAL A 56 1.838 -12.162 -6.345 1.00 0.00 H new ATOM 0 HB VAL A 56 0.081 -10.954 -8.519 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.951 -11.411 -10.103 1.00 0.00 H new ATOM 0 HG12 VAL A 56 2.396 -10.208 -8.869 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.980 -11.884 -8.730 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.314 -13.185 -9.623 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.236 -13.768 -8.217 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.472 -13.305 -8.031 1.00 0.00 H new ATOM 533 N SER A 57 0.782 -8.996 -6.428 1.00 0.00 N ATOM 534 CA SER A 57 1.136 -7.576 -6.200 1.00 0.00 C ATOM 535 C SER A 57 1.555 -7.347 -4.738 1.00 0.00 C ATOM 536 O SER A 57 2.402 -6.500 -4.458 1.00 0.00 O ATOM 537 CB SER A 57 -0.051 -6.657 -6.560 1.00 0.00 C ATOM 538 OG SER A 57 0.306 -5.281 -6.515 1.00 0.00 O ATOM 0 H SER A 57 -0.212 -9.142 -6.605 1.00 0.00 H new ATOM 0 HA SER A 57 1.979 -7.330 -6.846 1.00 0.00 H new ATOM 0 HB2 SER A 57 -0.412 -6.905 -7.558 1.00 0.00 H new ATOM 0 HB3 SER A 57 -0.874 -6.841 -5.869 1.00 0.00 H new ATOM 0 HG SER A 57 -0.472 -4.733 -6.750 1.00 0.00 H new ATOM 544 N ARG A 58 0.945 -8.123 -3.823 1.00 0.00 N ATOM 545 CA ARG A 58 1.255 -8.080 -2.383 1.00 0.00 C ATOM 546 C ARG A 58 2.686 -8.568 -2.146 1.00 0.00 C ATOM 547 O ARG A 58 3.511 -7.850 -1.575 1.00 0.00 O ATOM 548 CB ARG A 58 0.240 -8.947 -1.577 1.00 0.00 C ATOM 549 CG ARG A 58 0.459 -8.962 -0.045 1.00 0.00 C ATOM 550 CD ARG A 58 0.304 -7.567 0.590 1.00 0.00 C ATOM 551 NE ARG A 58 0.750 -7.553 1.993 1.00 0.00 N ATOM 552 CZ ARG A 58 0.564 -6.548 2.865 1.00 0.00 C ATOM 553 NH1 ARG A 58 -0.138 -5.469 2.529 1.00 0.00 N ATOM 554 NH2 ARG A 58 1.100 -6.631 4.069 1.00 0.00 N ATOM 0 H ARG A 58 0.221 -8.800 -4.063 1.00 0.00 H new ATOM 0 HA ARG A 58 1.171 -7.050 -2.035 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -0.767 -8.583 -1.781 1.00 0.00 H new ATOM 0 HB3 ARG A 58 0.289 -9.972 -1.945 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -0.254 -9.647 0.413 1.00 0.00 H new ATOM 0 HG3 ARG A 58 1.455 -9.347 0.172 1.00 0.00 H new ATOM 0 HD2 ARG A 58 0.881 -6.841 0.018 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -0.740 -7.257 0.537 1.00 0.00 H new ATOM 0 HE ARG A 58 1.243 -8.379 2.333 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -0.545 -5.395 1.597 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -0.269 -4.715 3.204 1.00 0.00 H new ATOM 0 HH21 ARG A 58 1.648 -7.451 4.328 1.00 0.00 H new ATOM 0 HH22 ARG A 58 0.966 -5.875 4.740 1.00 0.00 H new ATOM 568 N ARG A 59 2.962 -9.783 -2.642 1.00 0.00 N ATOM 569 CA ARG A 59 4.265 -10.444 -2.479 1.00 0.00 C ATOM 570 C ARG A 59 5.383 -9.632 -3.154 1.00 0.00 C ATOM 571 O ARG A 59 6.432 -9.415 -2.552 1.00 0.00 O ATOM 572 CB ARG A 59 4.209 -11.898 -3.027 1.00 0.00 C ATOM 573 CG ARG A 59 5.529 -12.712 -2.897 1.00 0.00 C ATOM 574 CD ARG A 59 6.089 -12.749 -1.461 1.00 0.00 C ATOM 575 NE ARG A 59 5.120 -13.294 -0.483 1.00 0.00 N ATOM 576 CZ ARG A 59 4.664 -12.647 0.607 1.00 0.00 C ATOM 577 NH1 ARG A 59 5.048 -11.402 0.863 1.00 0.00 N ATOM 578 NH2 ARG A 59 3.812 -13.245 1.424 1.00 0.00 N ATOM 0 H ARG A 59 2.286 -10.336 -3.169 1.00 0.00 H new ATOM 0 HA ARG A 59 4.495 -10.494 -1.415 1.00 0.00 H new ATOM 0 HB2 ARG A 59 3.418 -12.435 -2.504 1.00 0.00 H new ATOM 0 HB3 ARG A 59 3.927 -11.861 -4.079 1.00 0.00 H new ATOM 0 HG2 ARG A 59 5.352 -13.733 -3.236 1.00 0.00 H new ATOM 0 HG3 ARG A 59 6.279 -12.281 -3.560 1.00 0.00 H new ATOM 0 HD2 ARG A 59 6.995 -13.355 -1.444 1.00 0.00 H new ATOM 0 HD3 ARG A 59 6.374 -11.741 -1.161 1.00 0.00 H new ATOM 0 HE ARG A 59 4.769 -14.237 -0.648 1.00 0.00 H new ATOM 0 HH11 ARG A 59 5.694 -10.927 0.232 1.00 0.00 H new ATOM 0 HH12 ARG A 59 4.697 -10.920 1.691 1.00 0.00 H new ATOM 0 HH21 ARG A 59 3.500 -14.196 1.229 1.00 0.00 H new ATOM 0 HH22 ARG A 59 3.467 -12.755 2.249 1.00 0.00 H new ATOM 592 N ALA A 60 5.116 -9.158 -4.381 1.00 0.00 N ATOM 593 CA ALA A 60 6.065 -8.353 -5.173 1.00 0.00 C ATOM 594 C ALA A 60 6.450 -7.063 -4.434 1.00 0.00 C ATOM 595 O ALA A 60 7.630 -6.756 -4.273 1.00 0.00 O ATOM 596 CB ALA A 60 5.458 -8.024 -6.548 1.00 0.00 C ATOM 0 H ALA A 60 4.229 -9.323 -4.857 1.00 0.00 H new ATOM 0 HA ALA A 60 6.973 -8.939 -5.317 1.00 0.00 H new ATOM 0 HB1 ALA A 60 6.166 -7.429 -7.125 1.00 0.00 H new ATOM 0 HB2 ALA A 60 5.242 -8.950 -7.081 1.00 0.00 H new ATOM 0 HB3 ALA A 60 4.536 -7.459 -6.413 1.00 0.00 H new ATOM 602 N ASP A 61 5.431 -6.346 -3.948 1.00 0.00 N ATOM 603 CA ASP A 61 5.606 -5.077 -3.224 1.00 0.00 C ATOM 604 C ASP A 61 6.407 -5.288 -1.915 1.00 0.00 C ATOM 605 O ASP A 61 7.264 -4.470 -1.565 1.00 0.00 O ATOM 606 CB ASP A 61 4.222 -4.457 -2.931 1.00 0.00 C ATOM 607 CG ASP A 61 4.287 -3.097 -2.218 1.00 0.00 C ATOM 608 OD1 ASP A 61 4.427 -2.057 -2.898 1.00 0.00 O ATOM 609 OD2 ASP A 61 4.178 -3.056 -0.971 1.00 0.00 O ATOM 0 H ASP A 61 4.456 -6.629 -4.045 1.00 0.00 H new ATOM 0 HA ASP A 61 6.178 -4.390 -3.848 1.00 0.00 H new ATOM 0 HB2 ASP A 61 3.682 -4.338 -3.870 1.00 0.00 H new ATOM 0 HB3 ASP A 61 3.647 -5.151 -2.318 1.00 0.00 H new ATOM 614 N GLU A 62 6.145 -6.415 -1.220 1.00 0.00 N ATOM 615 CA GLU A 62 6.838 -6.769 0.040 1.00 0.00 C ATOM 616 C GLU A 62 8.271 -7.295 -0.209 1.00 0.00 C ATOM 617 O GLU A 62 9.111 -7.269 0.700 1.00 0.00 O ATOM 618 CB GLU A 62 6.002 -7.800 0.841 1.00 0.00 C ATOM 619 CG GLU A 62 4.653 -7.252 1.362 1.00 0.00 C ATOM 620 CD GLU A 62 3.867 -8.283 2.189 1.00 0.00 C ATOM 621 OE1 GLU A 62 3.382 -9.274 1.605 1.00 0.00 O ATOM 622 OE2 GLU A 62 3.729 -8.116 3.420 1.00 0.00 O ATOM 0 H GLU A 62 5.451 -7.103 -1.513 1.00 0.00 H new ATOM 0 HA GLU A 62 6.934 -5.857 0.629 1.00 0.00 H new ATOM 0 HB2 GLU A 62 5.810 -8.666 0.208 1.00 0.00 H new ATOM 0 HB3 GLU A 62 6.591 -8.150 1.689 1.00 0.00 H new ATOM 0 HG2 GLU A 62 4.837 -6.368 1.973 1.00 0.00 H new ATOM 0 HG3 GLU A 62 4.045 -6.933 0.515 1.00 0.00 H new ATOM 629 N GLU A 63 8.537 -7.769 -1.438 1.00 0.00 N ATOM 630 CA GLU A 63 9.900 -8.121 -1.887 1.00 0.00 C ATOM 631 C GLU A 63 10.696 -6.849 -2.221 1.00 0.00 C ATOM 632 O GLU A 63 11.925 -6.856 -2.187 1.00 0.00 O ATOM 633 CB GLU A 63 9.857 -9.065 -3.126 1.00 0.00 C ATOM 634 CG GLU A 63 9.372 -10.495 -2.817 1.00 0.00 C ATOM 635 CD GLU A 63 10.224 -11.189 -1.742 1.00 0.00 C ATOM 636 OE1 GLU A 63 11.400 -11.496 -2.024 1.00 0.00 O ATOM 637 OE2 GLU A 63 9.733 -11.416 -0.614 1.00 0.00 O ATOM 0 H GLU A 63 7.819 -7.919 -2.147 1.00 0.00 H new ATOM 0 HA GLU A 63 10.397 -8.649 -1.073 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.203 -8.627 -3.880 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.854 -9.118 -3.562 1.00 0.00 H new ATOM 0 HG2 GLU A 63 8.334 -10.459 -2.486 1.00 0.00 H new ATOM 0 HG3 GLU A 63 9.394 -11.088 -3.731 1.00 0.00 H new ATOM 644 N GLY A 64 9.967 -5.758 -2.516 1.00 0.00 N ATOM 645 CA GLY A 64 10.571 -4.504 -2.963 1.00 0.00 C ATOM 646 C GLY A 64 10.660 -4.426 -4.479 1.00 0.00 C ATOM 647 O GLY A 64 11.349 -3.563 -5.014 1.00 0.00 O ATOM 0 H GLY A 64 8.950 -5.727 -2.450 1.00 0.00 H new ATOM 0 HA2 GLY A 64 9.983 -3.665 -2.590 1.00 0.00 H new ATOM 0 HA3 GLY A 64 11.569 -4.409 -2.535 1.00 0.00 H new ATOM 651 N ALA A 65 9.978 -5.366 -5.168 1.00 0.00 N ATOM 652 CA ALA A 65 9.871 -5.384 -6.629 1.00 0.00 C ATOM 653 C ALA A 65 9.073 -4.165 -7.116 1.00 0.00 C ATOM 654 O ALA A 65 7.977 -3.893 -6.611 1.00 0.00 O ATOM 655 CB ALA A 65 9.203 -6.677 -7.110 1.00 0.00 C ATOM 0 H ALA A 65 9.485 -6.136 -4.716 1.00 0.00 H new ATOM 0 HA ALA A 65 10.877 -5.341 -7.047 1.00 0.00 H new ATOM 0 HB1 ALA A 65 9.134 -6.668 -8.198 1.00 0.00 H new ATOM 0 HB2 ALA A 65 9.797 -7.534 -6.791 1.00 0.00 H new ATOM 0 HB3 ALA A 65 8.202 -6.750 -6.684 1.00 0.00 H new ATOM 661 N ALA A 66 9.649 -3.441 -8.086 1.00 0.00 N ATOM 662 CA ALA A 66 9.020 -2.273 -8.705 1.00 0.00 C ATOM 663 C ALA A 66 7.757 -2.672 -9.487 1.00 0.00 C ATOM 664 O ALA A 66 6.756 -1.946 -9.487 1.00 0.00 O ATOM 665 CB ALA A 66 10.027 -1.587 -9.637 1.00 0.00 C ATOM 0 H ALA A 66 10.572 -3.654 -8.464 1.00 0.00 H new ATOM 0 HA ALA A 66 8.719 -1.581 -7.919 1.00 0.00 H new ATOM 0 HB1 ALA A 66 9.561 -0.717 -10.099 1.00 0.00 H new ATOM 0 HB2 ALA A 66 10.897 -1.270 -9.062 1.00 0.00 H new ATOM 0 HB3 ALA A 66 10.340 -2.286 -10.413 1.00 0.00 H new ATOM 671 N SER A 67 7.824 -3.850 -10.124 1.00 0.00 N ATOM 672 CA SER A 67 6.776 -4.357 -11.004 1.00 0.00 C ATOM 673 C SER A 67 6.612 -5.878 -10.808 1.00 0.00 C ATOM 674 O SER A 67 7.361 -6.502 -10.048 1.00 0.00 O ATOM 675 CB SER A 67 7.126 -4.002 -12.480 1.00 0.00 C ATOM 676 OG SER A 67 6.038 -4.259 -13.344 1.00 0.00 O ATOM 0 H SER A 67 8.621 -4.481 -10.037 1.00 0.00 H new ATOM 0 HA SER A 67 5.823 -3.889 -10.756 1.00 0.00 H new ATOM 0 HB2 SER A 67 7.405 -2.950 -12.547 1.00 0.00 H new ATOM 0 HB3 SER A 67 7.992 -4.582 -12.800 1.00 0.00 H new ATOM 0 HG SER A 67 5.197 -4.154 -12.851 1.00 0.00 H new ATOM 682 N PHE A 68 5.608 -6.450 -11.484 1.00 0.00 N ATOM 683 CA PHE A 68 5.351 -7.903 -11.520 1.00 0.00 C ATOM 684 C PHE A 68 4.753 -8.266 -12.881 1.00 0.00 C ATOM 685 O PHE A 68 4.231 -7.395 -13.588 1.00 0.00 O ATOM 686 CB PHE A 68 4.384 -8.345 -10.375 1.00 0.00 C ATOM 687 CG PHE A 68 2.925 -7.860 -10.505 1.00 0.00 C ATOM 688 CD1 PHE A 68 1.971 -8.605 -11.220 1.00 0.00 C ATOM 689 CD2 PHE A 68 2.506 -6.674 -9.918 1.00 0.00 C ATOM 690 CE1 PHE A 68 0.667 -8.175 -11.336 1.00 0.00 C ATOM 691 CE2 PHE A 68 1.193 -6.247 -10.036 1.00 0.00 C ATOM 692 CZ PHE A 68 0.281 -6.996 -10.742 1.00 0.00 C ATOM 0 H PHE A 68 4.938 -5.911 -12.032 1.00 0.00 H new ATOM 0 HA PHE A 68 6.295 -8.427 -11.371 1.00 0.00 H new ATOM 0 HB2 PHE A 68 4.382 -9.434 -10.326 1.00 0.00 H new ATOM 0 HB3 PHE A 68 4.784 -7.984 -9.427 1.00 0.00 H new ATOM 0 HD1 PHE A 68 2.266 -9.533 -11.688 1.00 0.00 H new ATOM 0 HD2 PHE A 68 3.213 -6.076 -9.362 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -0.050 -8.762 -11.891 1.00 0.00 H new ATOM 0 HE2 PHE A 68 0.885 -5.322 -9.572 1.00 0.00 H new ATOM 0 HZ PHE A 68 -0.741 -6.658 -10.830 1.00 0.00 H new ATOM 702 N TYR A 69 4.769 -9.558 -13.205 1.00 0.00 N ATOM 703 CA TYR A 69 4.152 -10.089 -14.416 1.00 0.00 C ATOM 704 C TYR A 69 3.720 -11.534 -14.167 1.00 0.00 C ATOM 705 O TYR A 69 4.553 -12.391 -13.878 1.00 0.00 O ATOM 706 CB TYR A 69 5.132 -10.005 -15.613 1.00 0.00 C ATOM 707 CG TYR A 69 4.650 -10.713 -16.891 1.00 0.00 C ATOM 708 CD1 TYR A 69 3.516 -10.273 -17.576 1.00 0.00 C ATOM 709 CD2 TYR A 69 5.332 -11.823 -17.418 1.00 0.00 C ATOM 710 CE1 TYR A 69 3.088 -10.902 -18.729 1.00 0.00 C ATOM 711 CE2 TYR A 69 4.902 -12.450 -18.570 1.00 0.00 C ATOM 712 CZ TYR A 69 3.778 -11.989 -19.220 1.00 0.00 C ATOM 713 OH TYR A 69 3.346 -12.611 -20.371 1.00 0.00 O ATOM 0 H TYR A 69 5.215 -10.271 -12.628 1.00 0.00 H new ATOM 0 HA TYR A 69 3.276 -9.491 -14.666 1.00 0.00 H new ATOM 0 HB2 TYR A 69 5.314 -8.955 -15.843 1.00 0.00 H new ATOM 0 HB3 TYR A 69 6.087 -10.436 -15.314 1.00 0.00 H new ATOM 0 HD1 TYR A 69 2.963 -9.426 -17.198 1.00 0.00 H new ATOM 0 HD2 TYR A 69 6.211 -12.193 -16.911 1.00 0.00 H new ATOM 0 HE1 TYR A 69 2.211 -10.541 -19.246 1.00 0.00 H new ATOM 0 HE2 TYR A 69 5.444 -13.298 -18.960 1.00 0.00 H new ATOM 0 HH TYR A 69 3.943 -13.359 -20.582 1.00 0.00 H new ATOM 723 N VAL A 70 2.409 -11.786 -14.273 1.00 0.00 N ATOM 724 CA VAL A 70 1.860 -13.142 -14.265 1.00 0.00 C ATOM 725 C VAL A 70 2.233 -13.824 -15.591 1.00 0.00 C ATOM 726 O VAL A 70 1.784 -13.391 -16.660 1.00 0.00 O ATOM 727 CB VAL A 70 0.300 -13.138 -14.064 1.00 0.00 C ATOM 728 CG1 VAL A 70 -0.274 -14.573 -14.156 1.00 0.00 C ATOM 729 CG2 VAL A 70 -0.084 -12.458 -12.721 1.00 0.00 C ATOM 0 H VAL A 70 1.703 -11.056 -14.366 1.00 0.00 H new ATOM 0 HA VAL A 70 2.284 -13.693 -13.425 1.00 0.00 H new ATOM 0 HB VAL A 70 -0.145 -12.553 -14.869 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -1.354 -14.543 -14.014 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -0.049 -14.993 -15.136 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.176 -15.195 -13.383 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.168 -12.468 -12.605 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.374 -13.001 -11.894 1.00 0.00 H new ATOM 0 HG23 VAL A 70 0.272 -11.428 -12.720 1.00 0.00 H new ATOM 739 N VAL A 71 3.069 -14.873 -15.518 1.00 0.00 N ATOM 740 CA VAL A 71 3.602 -15.539 -16.718 1.00 0.00 C ATOM 741 C VAL A 71 2.721 -16.749 -17.092 1.00 0.00 C ATOM 742 O VAL A 71 2.690 -17.165 -18.263 1.00 0.00 O ATOM 743 CB VAL A 71 5.109 -15.956 -16.503 1.00 0.00 C ATOM 744 CG1 VAL A 71 5.261 -17.051 -15.423 1.00 0.00 C ATOM 745 CG2 VAL A 71 5.800 -16.357 -17.836 1.00 0.00 C ATOM 0 H VAL A 71 3.391 -15.279 -14.639 1.00 0.00 H new ATOM 0 HA VAL A 71 3.576 -14.838 -17.552 1.00 0.00 H new ATOM 0 HB VAL A 71 5.627 -15.072 -16.132 1.00 0.00 H new ATOM 0 HG11 VAL A 71 6.315 -17.306 -15.309 1.00 0.00 H new ATOM 0 HG12 VAL A 71 4.872 -16.682 -14.474 1.00 0.00 H new ATOM 0 HG13 VAL A 71 4.703 -17.938 -15.723 1.00 0.00 H new ATOM 0 HG21 VAL A 71 6.835 -16.636 -17.640 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.274 -17.203 -18.279 1.00 0.00 H new ATOM 0 HG23 VAL A 71 5.776 -15.514 -18.526 1.00 0.00 H new ATOM 755 N ASP A 72 1.980 -17.297 -16.097 1.00 0.00 N ATOM 756 CA ASP A 72 1.084 -18.452 -16.316 1.00 0.00 C ATOM 757 C ASP A 72 0.080 -18.606 -15.156 1.00 0.00 C ATOM 758 O ASP A 72 0.461 -18.595 -13.977 1.00 0.00 O ATOM 759 CB ASP A 72 1.923 -19.750 -16.471 1.00 0.00 C ATOM 760 CG ASP A 72 1.092 -20.989 -16.881 1.00 0.00 C ATOM 761 OD1 ASP A 72 0.594 -21.724 -15.988 1.00 0.00 O ATOM 762 OD2 ASP A 72 0.962 -21.251 -18.099 1.00 0.00 O ATOM 0 H ASP A 72 1.988 -16.955 -15.136 1.00 0.00 H new ATOM 0 HA ASP A 72 0.518 -18.276 -17.231 1.00 0.00 H new ATOM 0 HB2 ASP A 72 2.699 -19.582 -17.218 1.00 0.00 H new ATOM 0 HB3 ASP A 72 2.428 -19.959 -15.528 1.00 0.00 H new ATOM 767 N THR A 73 -1.207 -18.728 -15.518 1.00 0.00 N ATOM 768 CA THR A 73 -2.277 -19.183 -14.620 1.00 0.00 C ATOM 769 C THR A 73 -2.746 -20.563 -15.104 1.00 0.00 C ATOM 770 O THR A 73 -2.826 -20.795 -16.318 1.00 0.00 O ATOM 771 CB THR A 73 -3.489 -18.194 -14.625 1.00 0.00 C ATOM 772 OG1 THR A 73 -3.976 -18.031 -15.968 1.00 0.00 O ATOM 773 CG2 THR A 73 -3.113 -16.817 -14.048 1.00 0.00 C ATOM 0 H THR A 73 -1.537 -18.509 -16.458 1.00 0.00 H new ATOM 0 HA THR A 73 -1.892 -19.231 -13.602 1.00 0.00 H new ATOM 0 HB THR A 73 -4.265 -18.622 -13.991 1.00 0.00 H new ATOM 0 HG1 THR A 73 -4.736 -17.412 -15.968 1.00 0.00 H new ATOM 0 HG21 THR A 73 -3.984 -16.163 -14.071 1.00 0.00 H new ATOM 0 HG22 THR A 73 -2.774 -16.934 -13.019 1.00 0.00 H new ATOM 0 HG23 THR A 73 -2.314 -16.378 -14.645 1.00 0.00 H new ATOM 781 N SER A 74 -3.051 -21.466 -14.170 1.00 0.00 N ATOM 782 CA SER A 74 -3.500 -22.824 -14.505 1.00 0.00 C ATOM 783 C SER A 74 -4.251 -23.437 -13.312 1.00 0.00 C ATOM 784 O SER A 74 -3.840 -23.257 -12.162 1.00 0.00 O ATOM 785 CB SER A 74 -2.293 -23.705 -14.902 1.00 0.00 C ATOM 786 OG SER A 74 -2.701 -24.972 -15.369 1.00 0.00 O ATOM 0 H SER A 74 -2.995 -21.282 -13.168 1.00 0.00 H new ATOM 0 HA SER A 74 -4.180 -22.774 -15.355 1.00 0.00 H new ATOM 0 HB2 SER A 74 -1.714 -23.201 -15.676 1.00 0.00 H new ATOM 0 HB3 SER A 74 -1.635 -23.829 -14.042 1.00 0.00 H new ATOM 0 HG SER A 74 -1.912 -25.501 -15.612 1.00 0.00 H new ATOM 792 N GLU A 75 -5.345 -24.159 -13.603 1.00 0.00 N ATOM 793 CA GLU A 75 -6.182 -24.795 -12.578 1.00 0.00 C ATOM 794 C GLU A 75 -5.522 -26.085 -12.062 1.00 0.00 C ATOM 795 O GLU A 75 -5.269 -27.018 -12.834 1.00 0.00 O ATOM 796 CB GLU A 75 -7.618 -25.039 -13.107 1.00 0.00 C ATOM 797 CG GLU A 75 -8.364 -23.733 -13.458 1.00 0.00 C ATOM 798 CD GLU A 75 -9.841 -23.931 -13.829 1.00 0.00 C ATOM 799 OE1 GLU A 75 -10.128 -24.335 -14.979 1.00 0.00 O ATOM 800 OE2 GLU A 75 -10.727 -23.685 -12.978 1.00 0.00 O ATOM 0 H GLU A 75 -5.672 -24.317 -14.556 1.00 0.00 H new ATOM 0 HA GLU A 75 -6.269 -24.116 -11.729 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -7.570 -25.672 -13.993 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -8.188 -25.585 -12.355 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -8.303 -23.053 -12.608 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -7.854 -23.249 -14.291 1.00 0.00 H new ATOM 807 N PHE A 76 -5.245 -26.097 -10.744 1.00 0.00 N ATOM 808 CA PHE A 76 -4.522 -27.165 -10.057 1.00 0.00 C ATOM 809 C PHE A 76 -5.443 -28.383 -9.866 1.00 0.00 C ATOM 810 O PHE A 76 -6.588 -28.233 -9.408 1.00 0.00 O ATOM 811 CB PHE A 76 -3.998 -26.640 -8.689 1.00 0.00 C ATOM 812 CG PHE A 76 -3.092 -27.621 -7.944 1.00 0.00 C ATOM 813 CD1 PHE A 76 -1.745 -27.751 -8.284 1.00 0.00 C ATOM 814 CD2 PHE A 76 -3.586 -28.414 -6.907 1.00 0.00 C ATOM 815 CE1 PHE A 76 -0.929 -28.642 -7.614 1.00 0.00 C ATOM 816 CE2 PHE A 76 -2.768 -29.305 -6.241 1.00 0.00 C ATOM 817 CZ PHE A 76 -1.439 -29.415 -6.591 1.00 0.00 C ATOM 0 H PHE A 76 -5.528 -25.342 -10.119 1.00 0.00 H new ATOM 0 HA PHE A 76 -3.668 -27.477 -10.659 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -3.451 -25.712 -8.855 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -4.851 -26.398 -8.055 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -1.335 -27.148 -9.081 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -4.624 -28.329 -6.621 1.00 0.00 H new ATOM 0 HE1 PHE A 76 0.111 -28.734 -7.892 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -3.169 -29.916 -5.446 1.00 0.00 H new ATOM 0 HZ PHE A 76 -0.797 -30.106 -6.065 1.00 0.00 H new ATOM 827 N GLY A 77 -4.919 -29.572 -10.204 1.00 0.00 N ATOM 828 CA GLY A 77 -5.682 -30.817 -10.151 1.00 0.00 C ATOM 829 C GLY A 77 -6.651 -30.949 -11.324 1.00 0.00 C ATOM 830 O GLY A 77 -6.385 -31.683 -12.281 1.00 0.00 O ATOM 0 H GLY A 77 -3.957 -29.691 -10.520 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -4.995 -31.663 -10.153 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -6.239 -30.861 -9.215 1.00 0.00 H new ATOM 834 N ASN A 78 -7.771 -30.211 -11.245 1.00 0.00 N ATOM 835 CA ASN A 78 -8.822 -30.190 -12.279 1.00 0.00 C ATOM 836 C ASN A 78 -9.269 -28.732 -12.497 1.00 0.00 C ATOM 837 O ASN A 78 -8.842 -28.076 -13.454 1.00 0.00 O ATOM 838 CB ASN A 78 -10.036 -31.085 -11.867 1.00 0.00 C ATOM 839 CG ASN A 78 -9.680 -32.556 -11.682 1.00 0.00 C ATOM 840 OD1 ASN A 78 -9.815 -33.361 -12.599 1.00 0.00 O ATOM 841 ND2 ASN A 78 -9.211 -32.916 -10.494 1.00 0.00 N ATOM 0 H ASN A 78 -7.975 -29.604 -10.451 1.00 0.00 H new ATOM 0 HA ASN A 78 -8.423 -30.596 -13.208 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -10.458 -30.703 -10.937 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -10.812 -31.001 -12.628 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -8.950 -33.887 -10.321 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -9.111 -32.222 -9.753 1.00 0.00 H new ATOM 848 N SER A 79 -10.100 -28.224 -11.558 1.00 0.00 N ATOM 849 CA SER A 79 -10.671 -26.863 -11.610 1.00 0.00 C ATOM 850 C SER A 79 -11.020 -26.377 -10.188 1.00 0.00 C ATOM 851 O SER A 79 -10.870 -27.127 -9.211 1.00 0.00 O ATOM 852 CB SER A 79 -11.927 -26.826 -12.526 1.00 0.00 C ATOM 853 OG SER A 79 -11.586 -27.086 -13.879 1.00 0.00 O ATOM 0 H SER A 79 -10.394 -28.753 -10.737 1.00 0.00 H new ATOM 0 HA SER A 79 -9.925 -26.191 -12.034 1.00 0.00 H new ATOM 0 HB2 SER A 79 -12.652 -27.564 -12.183 1.00 0.00 H new ATOM 0 HB3 SER A 79 -12.406 -25.850 -12.451 1.00 0.00 H new ATOM 0 HG SER A 79 -11.133 -26.304 -14.258 1.00 0.00 H new ATOM 859 N GLY A 80 -11.486 -25.115 -10.086 1.00 0.00 N ATOM 860 CA GLY A 80 -11.853 -24.503 -8.797 1.00 0.00 C ATOM 861 C GLY A 80 -10.636 -23.933 -8.096 1.00 0.00 C ATOM 862 O GLY A 80 -10.513 -22.713 -7.921 1.00 0.00 O ATOM 0 H GLY A 80 -11.617 -24.498 -10.888 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -12.585 -23.712 -8.962 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -12.328 -25.249 -8.159 1.00 0.00 H new ATOM 866 N ASN A 81 -9.731 -24.841 -7.693 1.00 0.00 N ATOM 867 CA ASN A 81 -8.400 -24.491 -7.198 1.00 0.00 C ATOM 868 C ASN A 81 -7.494 -24.212 -8.401 1.00 0.00 C ATOM 869 O ASN A 81 -7.516 -24.974 -9.376 1.00 0.00 O ATOM 870 CB ASN A 81 -7.800 -25.636 -6.337 1.00 0.00 C ATOM 871 CG ASN A 81 -6.454 -25.262 -5.699 1.00 0.00 C ATOM 872 OD1 ASN A 81 -6.231 -24.116 -5.313 1.00 0.00 O ATOM 873 ND2 ASN A 81 -5.545 -26.219 -5.600 1.00 0.00 N ATOM 0 H ASN A 81 -9.910 -25.845 -7.704 1.00 0.00 H new ATOM 0 HA ASN A 81 -8.475 -23.607 -6.564 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -8.507 -25.902 -5.551 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -7.668 -26.521 -6.960 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -4.631 -26.015 -5.195 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -5.758 -27.161 -5.929 1.00 0.00 H new ATOM 880 N TRP A 82 -6.709 -23.129 -8.333 1.00 0.00 N ATOM 881 CA TRP A 82 -5.841 -22.719 -9.438 1.00 0.00 C ATOM 882 C TRP A 82 -4.590 -21.992 -8.924 1.00 0.00 C ATOM 883 O TRP A 82 -4.670 -21.092 -8.087 1.00 0.00 O ATOM 884 CB TRP A 82 -6.624 -21.870 -10.490 1.00 0.00 C ATOM 885 CG TRP A 82 -7.202 -20.563 -10.002 1.00 0.00 C ATOM 886 CD1 TRP A 82 -8.115 -20.372 -9.004 1.00 0.00 C ATOM 887 CD2 TRP A 82 -6.926 -19.263 -10.538 1.00 0.00 C ATOM 888 NE1 TRP A 82 -8.384 -19.039 -8.863 1.00 0.00 N ATOM 889 CE2 TRP A 82 -7.680 -18.339 -9.801 1.00 0.00 C ATOM 890 CE3 TRP A 82 -6.104 -18.800 -11.564 1.00 0.00 C ATOM 891 CZ2 TRP A 82 -7.641 -16.977 -10.059 1.00 0.00 C ATOM 892 CZ3 TRP A 82 -6.071 -17.446 -11.825 1.00 0.00 C ATOM 893 CH2 TRP A 82 -6.832 -16.549 -11.071 1.00 0.00 C ATOM 0 H TRP A 82 -6.659 -22.519 -7.517 1.00 0.00 H new ATOM 0 HA TRP A 82 -5.499 -23.620 -9.947 1.00 0.00 H new ATOM 0 HB2 TRP A 82 -5.955 -21.658 -11.324 1.00 0.00 H new ATOM 0 HB3 TRP A 82 -7.439 -22.479 -10.882 1.00 0.00 H new ATOM 0 HD1 TRP A 82 -8.559 -21.159 -8.413 1.00 0.00 H new ATOM 0 HE1 TRP A 82 -9.010 -18.632 -8.168 1.00 0.00 H new ATOM 0 HE3 TRP A 82 -5.505 -19.487 -12.143 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 -8.229 -16.281 -9.480 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -5.447 -17.074 -12.624 1.00 0.00 H new ATOM 0 HH2 TRP A 82 -6.779 -15.494 -11.294 1.00 0.00 H new ATOM 904 N ARG A 83 -3.440 -22.437 -9.436 1.00 0.00 N ATOM 905 CA ARG A 83 -2.116 -21.888 -9.125 1.00 0.00 C ATOM 906 C ARG A 83 -1.749 -20.791 -10.131 1.00 0.00 C ATOM 907 O ARG A 83 -2.273 -20.755 -11.258 1.00 0.00 O ATOM 908 CB ARG A 83 -1.057 -23.043 -9.091 1.00 0.00 C ATOM 909 CG ARG A 83 -1.135 -24.073 -10.256 1.00 0.00 C ATOM 910 CD ARG A 83 -0.559 -23.578 -11.598 1.00 0.00 C ATOM 911 NE ARG A 83 0.912 -23.575 -11.606 1.00 0.00 N ATOM 912 CZ ARG A 83 1.681 -23.776 -12.687 1.00 0.00 C ATOM 913 NH1 ARG A 83 1.131 -24.048 -13.864 1.00 0.00 N ATOM 914 NH2 ARG A 83 2.998 -23.706 -12.579 1.00 0.00 N ATOM 0 H ARG A 83 -3.402 -23.212 -10.098 1.00 0.00 H new ATOM 0 HA ARG A 83 -2.130 -21.427 -8.138 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -0.062 -22.598 -9.092 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -1.165 -23.581 -8.149 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -0.602 -24.976 -9.959 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -2.178 -24.353 -10.406 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -0.923 -24.215 -12.404 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -0.923 -22.570 -11.798 1.00 0.00 H new ATOM 0 HE ARG A 83 1.385 -23.407 -10.718 1.00 0.00 H new ATOM 0 HH11 ARG A 83 0.116 -24.106 -13.952 1.00 0.00 H new ATOM 0 HH12 ARG A 83 1.723 -24.199 -14.681 1.00 0.00 H new ATOM 0 HH21 ARG A 83 3.425 -23.500 -11.676 1.00 0.00 H new ATOM 0 HH22 ARG A 83 3.586 -23.858 -13.399 1.00 0.00 H new ATOM 928 N VAL A 84 -0.852 -19.900 -9.706 1.00 0.00 N ATOM 929 CA VAL A 84 -0.369 -18.775 -10.507 1.00 0.00 C ATOM 930 C VAL A 84 1.142 -18.623 -10.270 1.00 0.00 C ATOM 931 O VAL A 84 1.568 -18.382 -9.131 1.00 0.00 O ATOM 932 CB VAL A 84 -1.080 -17.412 -10.133 1.00 0.00 C ATOM 933 CG1 VAL A 84 -0.564 -16.265 -11.021 1.00 0.00 C ATOM 934 CG2 VAL A 84 -2.622 -17.509 -10.209 1.00 0.00 C ATOM 0 H VAL A 84 -0.433 -19.941 -8.777 1.00 0.00 H new ATOM 0 HA VAL A 84 -0.596 -18.988 -11.552 1.00 0.00 H new ATOM 0 HB VAL A 84 -0.825 -17.196 -9.096 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -1.067 -15.338 -10.746 1.00 0.00 H new ATOM 0 HG12 VAL A 84 0.511 -16.151 -10.880 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -0.770 -16.493 -12.067 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -3.061 -16.547 -9.943 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -2.920 -17.776 -11.223 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -2.973 -18.272 -9.515 1.00 0.00 H new ATOM 944 N VAL A 85 1.945 -18.811 -11.328 1.00 0.00 N ATOM 945 CA VAL A 85 3.370 -18.439 -11.323 1.00 0.00 C ATOM 946 C VAL A 85 3.513 -17.057 -11.962 1.00 0.00 C ATOM 947 O VAL A 85 2.924 -16.778 -13.023 1.00 0.00 O ATOM 948 CB VAL A 85 4.297 -19.501 -12.042 1.00 0.00 C ATOM 949 CG1 VAL A 85 3.783 -19.879 -13.445 1.00 0.00 C ATOM 950 CG2 VAL A 85 5.781 -19.033 -12.082 1.00 0.00 C ATOM 0 H VAL A 85 1.629 -19.222 -12.206 1.00 0.00 H new ATOM 0 HA VAL A 85 3.711 -18.415 -10.288 1.00 0.00 H new ATOM 0 HB VAL A 85 4.254 -20.409 -11.440 1.00 0.00 H new ATOM 0 HG11 VAL A 85 4.455 -20.610 -13.894 1.00 0.00 H new ATOM 0 HG12 VAL A 85 2.784 -20.307 -13.363 1.00 0.00 H new ATOM 0 HG13 VAL A 85 3.746 -18.988 -14.071 1.00 0.00 H new ATOM 0 HG21 VAL A 85 6.387 -19.788 -12.583 1.00 0.00 H new ATOM 0 HG22 VAL A 85 5.851 -18.091 -12.626 1.00 0.00 H new ATOM 0 HG23 VAL A 85 6.146 -18.892 -11.065 1.00 0.00 H new ATOM 960 N ALA A 86 4.267 -16.195 -11.287 1.00 0.00 N ATOM 961 CA ALA A 86 4.496 -14.818 -11.695 1.00 0.00 C ATOM 962 C ALA A 86 5.926 -14.432 -11.357 1.00 0.00 C ATOM 963 O ALA A 86 6.430 -14.783 -10.299 1.00 0.00 O ATOM 964 CB ALA A 86 3.499 -13.884 -10.999 1.00 0.00 C ATOM 0 H ALA A 86 4.746 -16.443 -10.421 1.00 0.00 H new ATOM 0 HA ALA A 86 4.346 -14.724 -12.771 1.00 0.00 H new ATOM 0 HB1 ALA A 86 3.682 -12.857 -11.314 1.00 0.00 H new ATOM 0 HB2 ALA A 86 2.483 -14.171 -11.269 1.00 0.00 H new ATOM 0 HB3 ALA A 86 3.622 -13.960 -9.919 1.00 0.00 H new ATOM 970 N ASP A 87 6.579 -13.727 -12.267 1.00 0.00 N ATOM 971 CA ASP A 87 7.942 -13.212 -12.074 1.00 0.00 C ATOM 972 C ASP A 87 7.877 -11.714 -11.730 1.00 0.00 C ATOM 973 O ASP A 87 7.044 -10.984 -12.265 1.00 0.00 O ATOM 974 CB ASP A 87 8.822 -13.499 -13.326 1.00 0.00 C ATOM 975 CG ASP A 87 8.059 -13.502 -14.660 1.00 0.00 C ATOM 976 OD1 ASP A 87 7.553 -12.451 -15.073 1.00 0.00 O ATOM 977 OD2 ASP A 87 7.945 -14.572 -15.289 1.00 0.00 O ATOM 0 H ASP A 87 6.180 -13.489 -13.175 1.00 0.00 H new ATOM 0 HA ASP A 87 8.417 -13.727 -11.239 1.00 0.00 H new ATOM 0 HB2 ASP A 87 9.613 -12.750 -13.377 1.00 0.00 H new ATOM 0 HB3 ASP A 87 9.307 -14.467 -13.198 1.00 0.00 H new ATOM 982 N VAL A 88 8.756 -11.279 -10.816 1.00 0.00 N ATOM 983 CA VAL A 88 8.751 -9.920 -10.249 1.00 0.00 C ATOM 984 C VAL A 88 10.037 -9.169 -10.662 1.00 0.00 C ATOM 985 O VAL A 88 11.121 -9.768 -10.754 1.00 0.00 O ATOM 986 CB VAL A 88 8.563 -9.968 -8.683 1.00 0.00 C ATOM 987 CG1 VAL A 88 7.217 -10.646 -8.313 1.00 0.00 C ATOM 988 CG2 VAL A 88 9.742 -10.674 -7.970 1.00 0.00 C ATOM 0 H VAL A 88 9.501 -11.868 -10.444 1.00 0.00 H new ATOM 0 HA VAL A 88 7.903 -9.367 -10.652 1.00 0.00 H new ATOM 0 HB VAL A 88 8.547 -8.936 -8.332 1.00 0.00 H new ATOM 0 HG11 VAL A 88 7.107 -10.669 -7.229 1.00 0.00 H new ATOM 0 HG12 VAL A 88 6.393 -10.081 -8.749 1.00 0.00 H new ATOM 0 HG13 VAL A 88 7.204 -11.665 -8.701 1.00 0.00 H new ATOM 0 HG21 VAL A 88 9.565 -10.681 -6.894 1.00 0.00 H new ATOM 0 HG22 VAL A 88 9.824 -11.699 -8.331 1.00 0.00 H new ATOM 0 HG23 VAL A 88 10.668 -10.139 -8.182 1.00 0.00 H new ATOM 998 N TYR A 89 9.889 -7.859 -10.933 1.00 0.00 N ATOM 999 CA TYR A 89 10.903 -7.029 -11.622 1.00 0.00 C ATOM 1000 C TYR A 89 11.291 -5.797 -10.790 1.00 0.00 C ATOM 1001 O TYR A 89 10.521 -5.324 -9.955 1.00 0.00 O ATOM 1002 CB TYR A 89 10.354 -6.542 -12.999 1.00 0.00 C ATOM 1003 CG TYR A 89 10.052 -7.660 -14.009 1.00 0.00 C ATOM 1004 CD1 TYR A 89 8.913 -8.459 -13.884 1.00 0.00 C ATOM 1005 CD2 TYR A 89 10.901 -7.912 -15.098 1.00 0.00 C ATOM 1006 CE1 TYR A 89 8.632 -9.454 -14.795 1.00 0.00 C ATOM 1007 CE2 TYR A 89 10.616 -8.911 -16.005 1.00 0.00 C ATOM 1008 CZ TYR A 89 9.485 -9.680 -15.850 1.00 0.00 C ATOM 1009 OH TYR A 89 9.200 -10.676 -16.760 1.00 0.00 O ATOM 0 H TYR A 89 9.051 -7.337 -10.677 1.00 0.00 H new ATOM 0 HA TYR A 89 11.786 -7.652 -11.762 1.00 0.00 H new ATOM 0 HB2 TYR A 89 9.441 -5.971 -12.828 1.00 0.00 H new ATOM 0 HB3 TYR A 89 11.079 -5.859 -13.442 1.00 0.00 H new ATOM 0 HD1 TYR A 89 8.239 -8.294 -13.057 1.00 0.00 H new ATOM 0 HD2 TYR A 89 11.791 -7.314 -15.228 1.00 0.00 H new ATOM 0 HE1 TYR A 89 7.743 -10.056 -14.681 1.00 0.00 H new ATOM 0 HE2 TYR A 89 11.281 -9.090 -16.837 1.00 0.00 H new ATOM 0 HH TYR A 89 8.630 -11.352 -16.337 1.00 0.00 H new ATOM 1019 N LYS A 90 12.498 -5.281 -11.053 1.00 0.00 N ATOM 1020 CA LYS A 90 12.977 -3.983 -10.551 1.00 0.00 C ATOM 1021 C LYS A 90 13.081 -2.998 -11.731 1.00 0.00 C ATOM 1022 O LYS A 90 13.408 -3.403 -12.855 1.00 0.00 O ATOM 1023 CB LYS A 90 14.353 -4.144 -9.843 1.00 0.00 C ATOM 1024 CG LYS A 90 14.304 -4.914 -8.499 1.00 0.00 C ATOM 1025 CD LYS A 90 13.520 -4.159 -7.406 1.00 0.00 C ATOM 1026 CE LYS A 90 14.174 -2.815 -7.039 1.00 0.00 C ATOM 1027 NZ LYS A 90 13.356 -2.026 -6.088 1.00 0.00 N ATOM 0 H LYS A 90 13.185 -5.763 -11.633 1.00 0.00 H new ATOM 0 HA LYS A 90 12.272 -3.593 -9.817 1.00 0.00 H new ATOM 0 HB2 LYS A 90 15.035 -4.661 -10.518 1.00 0.00 H new ATOM 0 HB3 LYS A 90 14.772 -3.154 -9.664 1.00 0.00 H new ATOM 0 HG2 LYS A 90 13.845 -5.889 -8.661 1.00 0.00 H new ATOM 0 HG3 LYS A 90 15.321 -5.094 -8.151 1.00 0.00 H new ATOM 0 HD2 LYS A 90 12.501 -3.982 -7.750 1.00 0.00 H new ATOM 0 HD3 LYS A 90 13.452 -4.783 -6.515 1.00 0.00 H new ATOM 0 HE2 LYS A 90 15.156 -3.000 -6.602 1.00 0.00 H new ATOM 0 HE3 LYS A 90 14.333 -2.232 -7.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 12.752 -1.364 -6.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 12.759 -2.668 -5.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 13.982 -1.492 -5.452 1.00 0.00 H new ATOM 1041 N ALA A 91 12.796 -1.715 -11.467 1.00 0.00 N ATOM 1042 CA ALA A 91 12.806 -0.652 -12.486 1.00 0.00 C ATOM 1043 C ALA A 91 14.044 0.244 -12.265 1.00 0.00 C ATOM 1044 O ALA A 91 15.010 0.159 -13.055 1.00 0.00 O ATOM 1045 CB ALA A 91 11.490 0.156 -12.443 1.00 0.00 C ATOM 1046 OXT ALA A 91 14.070 0.992 -11.265 1.00 0.00 O ATOM 0 H ALA A 91 12.550 -1.382 -10.535 1.00 0.00 H new ATOM 0 HA ALA A 91 12.872 -1.092 -13.481 1.00 0.00 H new ATOM 0 HB1 ALA A 91 11.517 0.936 -13.203 1.00 0.00 H new ATOM 0 HB2 ALA A 91 10.648 -0.509 -12.636 1.00 0.00 H new ATOM 0 HB3 ALA A 91 11.375 0.612 -11.460 1.00 0.00 H new TER 1052 ALA A 91