USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 677 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 18 SER OG : rot -123:sc= 1.36 USER MOD Set 1.2: A 35 SER OG : rot 180:sc= 0.918 USER MOD Set 2.1: A 22 GLN : amide:sc= -0.917 K(o=-0.86,f=0.058) USER MOD Set 2.2: A 32 TYR OH : rot -89:sc= 0.061 USER MOD Set 3.1: A 6 THR OG1 : rot 78:sc= 0.178 USER MOD Set 3.2: A 85 SER OG : rot 180:sc= 0.173 USER MOD Single : A 1 ASN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 1 ASN N :NH3+ -172:sc= 1.16 (180deg=1.07) USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.556 USER MOD Single : A 8 ASN : amide:sc= 1.08 K(o=1.1,f=-7.2!) USER MOD Single : A 9 MET CE :methyl -175:sc= 0 (180deg=-0.0225) USER MOD Single : A 12 HIS : no HE2:sc= 0.864 K(o=0.86,f=-3!) USER MOD Single : A 13 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= 0.465 K(o=0.47,f=-4.6!) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0723) USER MOD Single : A 53 MET CE :methyl 146:sc= 0 (180deg=-1.62!) USER MOD Single : A 56 GLN : amide:sc= -0.621 X(o=-0.62,f=-0.68) USER MOD Single : A 58 ASN : amide:sc= 0.524 K(o=0.52,f=-9.5!) USER MOD Single : A 61 ASN : amide:sc= 0.819 K(o=0.82,f=-2.4!) USER MOD Single : A 64 ASN : amide:sc= -0.123 K(o=-0.12,f=-1.7!) USER MOD Single : A 65 MET CE :methyl -146:sc= 0 (180deg=-1.68!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= 0.0402 K(o=0.04,f=-2!) USER MOD Single : A 79 SER OG : rot 90:sc= 1.29 USER MOD Single : A 80 GLN : amide:sc= 0.225 X(o=0.23,f=-0.25) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot -64:sc= 1.79 USER MOD Single : A 90 LYS NZ :NH3+ -135:sc= 1.61! (180deg=0.867) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 5.134 12.654 7.816 1.00 0.00 N ATOM 2 CA ASN A 1 3.721 12.643 8.256 1.00 0.00 C ATOM 3 C ASN A 1 3.084 11.297 7.940 1.00 0.00 C ATOM 4 O ASN A 1 2.658 11.051 6.814 1.00 0.00 O ATOM 5 CB ASN A 1 2.945 13.770 7.566 1.00 0.00 C ATOM 6 CG ASN A 1 1.664 14.125 8.294 1.00 0.00 C ATOM 7 OD1 ASN A 1 0.609 13.537 8.052 1.00 0.00 O ATOM 8 ND2 ASN A 1 1.744 15.099 9.183 1.00 0.00 N ATOM 0 H1 ASN A 1 5.597 13.521 8.156 1.00 0.00 H new ATOM 0 H2 ASN A 1 5.625 11.824 8.205 1.00 0.00 H new ATOM 0 H3 ASN A 1 5.174 12.624 6.777 1.00 0.00 H new ATOM 0 HA ASN A 1 3.687 12.802 9.334 1.00 0.00 H new ATOM 0 HB2 ASN A 1 3.578 14.655 7.500 1.00 0.00 H new ATOM 0 HB3 ASN A 1 2.708 13.471 6.545 1.00 0.00 H new ATOM 0 HD21 ASN A 1 0.913 15.389 9.698 1.00 0.00 H new ATOM 0 HD22 ASN A 1 2.637 15.561 9.354 1.00 0.00 H new ATOM 17 N ILE A 2 3.034 10.419 8.931 1.00 0.00 N ATOM 18 CA ILE A 2 2.456 9.094 8.746 1.00 0.00 C ATOM 19 C ILE A 2 0.963 9.104 9.047 1.00 0.00 C ATOM 20 O ILE A 2 0.544 9.420 10.165 1.00 0.00 O ATOM 21 CB ILE A 2 3.132 8.042 9.650 1.00 0.00 C ATOM 22 CG1 ILE A 2 4.650 8.234 9.662 1.00 0.00 C ATOM 23 CG2 ILE A 2 2.772 6.637 9.182 1.00 0.00 C ATOM 24 CD1 ILE A 2 5.336 7.549 10.825 1.00 0.00 C ATOM 0 H ILE A 2 3.386 10.599 9.871 1.00 0.00 H new ATOM 0 HA ILE A 2 2.623 8.826 7.703 1.00 0.00 H new ATOM 0 HB ILE A 2 2.766 8.174 10.668 1.00 0.00 H new ATOM 0 HG12 ILE A 2 5.064 7.851 8.729 1.00 0.00 H new ATOM 0 HG13 ILE A 2 4.873 9.300 9.696 1.00 0.00 H new ATOM 0 HG21 ILE A 2 3.255 5.904 9.828 1.00 0.00 H new ATOM 0 HG22 ILE A 2 1.691 6.504 9.227 1.00 0.00 H new ATOM 0 HG23 ILE A 2 3.112 6.497 8.156 1.00 0.00 H new ATOM 0 HD11 ILE A 2 6.410 7.727 10.770 1.00 0.00 H new ATOM 0 HD12 ILE A 2 4.949 7.949 11.762 1.00 0.00 H new ATOM 0 HD13 ILE A 2 5.143 6.477 10.781 1.00 0.00 H new ATOM 36 N ILE A 3 0.159 8.764 8.052 1.00 0.00 N ATOM 37 CA ILE A 3 -1.284 8.723 8.224 1.00 0.00 C ATOM 38 C ILE A 3 -1.793 7.289 8.110 1.00 0.00 C ATOM 39 O ILE A 3 -1.529 6.602 7.124 1.00 0.00 O ATOM 40 CB ILE A 3 -2.014 9.614 7.192 1.00 0.00 C ATOM 41 CG1 ILE A 3 -1.530 11.061 7.306 1.00 0.00 C ATOM 42 CG2 ILE A 3 -3.525 9.539 7.394 1.00 0.00 C ATOM 43 CD1 ILE A 3 -2.269 12.023 6.399 1.00 0.00 C ATOM 0 H ILE A 3 0.481 8.513 7.117 1.00 0.00 H new ATOM 0 HA ILE A 3 -1.500 9.111 9.219 1.00 0.00 H new ATOM 0 HB ILE A 3 -1.783 9.247 6.192 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -1.641 11.392 8.339 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -0.466 11.099 7.071 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -4.022 10.172 6.659 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -3.858 8.509 7.270 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -3.775 9.883 8.398 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -1.872 13.029 6.535 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -2.138 11.718 5.361 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -3.330 12.015 6.648 1.00 0.00 H new ATOM 55 N THR A 4 -2.493 6.839 9.138 1.00 0.00 N ATOM 56 CA THR A 4 -3.052 5.499 9.161 1.00 0.00 C ATOM 57 C THR A 4 -4.511 5.540 8.726 1.00 0.00 C ATOM 58 O THR A 4 -5.352 6.122 9.409 1.00 0.00 O ATOM 59 CB THR A 4 -2.943 4.884 10.570 1.00 0.00 C ATOM 60 OG1 THR A 4 -1.612 5.076 11.072 1.00 0.00 O ATOM 61 CG2 THR A 4 -3.276 3.398 10.550 1.00 0.00 C ATOM 0 H THR A 4 -2.689 7.389 9.975 1.00 0.00 H new ATOM 0 HA THR A 4 -2.485 4.877 8.469 1.00 0.00 H new ATOM 0 HB THR A 4 -3.661 5.383 11.221 1.00 0.00 H new ATOM 0 HG1 THR A 4 -1.541 4.687 11.969 1.00 0.00 H new ATOM 0 HG21 THR A 4 -3.190 2.992 11.558 1.00 0.00 H new ATOM 0 HG22 THR A 4 -4.295 3.258 10.188 1.00 0.00 H new ATOM 0 HG23 THR A 4 -2.582 2.878 9.890 1.00 0.00 H new ATOM 69 N VAL A 5 -4.808 4.939 7.583 1.00 0.00 N ATOM 70 CA VAL A 5 -6.168 4.934 7.063 1.00 0.00 C ATOM 71 C VAL A 5 -6.680 3.514 6.851 1.00 0.00 C ATOM 72 O VAL A 5 -5.924 2.616 6.468 1.00 0.00 O ATOM 73 CB VAL A 5 -6.278 5.715 5.729 1.00 0.00 C ATOM 74 CG1 VAL A 5 -5.823 7.154 5.904 1.00 0.00 C ATOM 75 CG2 VAL A 5 -5.478 5.031 4.627 1.00 0.00 C ATOM 0 H VAL A 5 -4.129 4.450 7.000 1.00 0.00 H new ATOM 0 HA VAL A 5 -6.784 5.429 7.814 1.00 0.00 H new ATOM 0 HB VAL A 5 -7.327 5.722 5.433 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -5.910 7.681 4.954 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -6.448 7.645 6.650 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -4.784 7.170 6.234 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -5.573 5.600 3.702 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -4.428 4.981 4.917 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -5.860 4.022 4.473 1.00 0.00 H new ATOM 85 N THR A 6 -7.956 3.313 7.124 1.00 0.00 N ATOM 86 CA THR A 6 -8.575 2.019 6.932 1.00 0.00 C ATOM 87 C THR A 6 -9.480 2.076 5.707 1.00 0.00 C ATOM 88 O THR A 6 -10.127 3.098 5.441 1.00 0.00 O ATOM 89 CB THR A 6 -9.365 1.561 8.183 1.00 0.00 C ATOM 90 OG1 THR A 6 -9.632 0.152 8.108 1.00 0.00 O ATOM 91 CG2 THR A 6 -10.674 2.323 8.333 1.00 0.00 C ATOM 0 H THR A 6 -8.584 4.033 7.481 1.00 0.00 H new ATOM 0 HA THR A 6 -7.789 1.280 6.773 1.00 0.00 H new ATOM 0 HB THR A 6 -8.750 1.773 9.057 1.00 0.00 H new ATOM 0 HG1 THR A 6 -8.823 -0.347 8.346 1.00 0.00 H new ATOM 0 HG21 THR A 6 -11.199 1.973 9.222 1.00 0.00 H new ATOM 0 HG22 THR A 6 -10.466 3.388 8.431 1.00 0.00 H new ATOM 0 HG23 THR A 6 -11.296 2.154 7.454 1.00 0.00 H new ATOM 99 N LEU A 7 -9.499 0.998 4.947 1.00 0.00 N ATOM 100 CA LEU A 7 -10.297 0.937 3.735 1.00 0.00 C ATOM 101 C LEU A 7 -11.371 -0.137 3.825 1.00 0.00 C ATOM 102 O LEU A 7 -11.155 -1.210 4.396 1.00 0.00 O ATOM 103 CB LEU A 7 -9.388 0.674 2.532 1.00 0.00 C ATOM 104 CG LEU A 7 -8.202 1.632 2.401 1.00 0.00 C ATOM 105 CD1 LEU A 7 -7.175 1.085 1.428 1.00 0.00 C ATOM 106 CD2 LEU A 7 -8.676 3.007 1.955 1.00 0.00 C ATOM 0 H LEU A 7 -8.970 0.149 5.147 1.00 0.00 H new ATOM 0 HA LEU A 7 -10.799 1.896 3.611 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -9.008 -0.345 2.598 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -9.986 0.733 1.623 1.00 0.00 H new ATOM 0 HG LEU A 7 -7.730 1.727 3.379 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -6.340 1.782 1.350 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -6.811 0.122 1.786 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -7.634 0.958 0.448 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -7.820 3.676 1.867 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -9.173 2.925 0.989 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -9.375 3.407 2.690 1.00 0.00 H new ATOM 118 N ASN A 8 -12.532 0.167 3.265 1.00 0.00 N ATOM 119 CA ASN A 8 -13.650 -0.762 3.252 1.00 0.00 C ATOM 120 C ASN A 8 -13.543 -1.662 2.031 1.00 0.00 C ATOM 121 O ASN A 8 -13.624 -1.188 0.898 1.00 0.00 O ATOM 122 CB ASN A 8 -14.982 -0.004 3.225 1.00 0.00 C ATOM 123 CG ASN A 8 -16.180 -0.926 3.092 1.00 0.00 C ATOM 124 OD1 ASN A 8 -16.543 -1.341 1.989 1.00 0.00 O ATOM 125 ND2 ASN A 8 -16.806 -1.255 4.210 1.00 0.00 N ATOM 0 H ASN A 8 -12.725 1.059 2.810 1.00 0.00 H new ATOM 0 HA ASN A 8 -13.617 -1.367 4.158 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -15.080 0.582 4.139 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -14.977 0.701 2.393 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -17.618 -1.872 4.177 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -16.477 -0.892 5.105 1.00 0.00 H new ATOM 132 N MET A 9 -13.361 -2.953 2.260 1.00 0.00 N ATOM 133 CA MET A 9 -13.226 -3.905 1.164 1.00 0.00 C ATOM 134 C MET A 9 -14.531 -4.648 0.908 1.00 0.00 C ATOM 135 O MET A 9 -14.554 -5.670 0.222 1.00 0.00 O ATOM 136 CB MET A 9 -12.097 -4.897 1.452 1.00 0.00 C ATOM 137 CG MET A 9 -10.712 -4.268 1.413 1.00 0.00 C ATOM 138 SD MET A 9 -10.350 -3.460 -0.161 1.00 0.00 S ATOM 139 CE MET A 9 -10.079 -4.882 -1.216 1.00 0.00 C ATOM 0 H MET A 9 -13.303 -3.367 3.191 1.00 0.00 H new ATOM 0 HA MET A 9 -12.979 -3.342 0.264 1.00 0.00 H new ATOM 0 HB2 MET A 9 -12.257 -5.343 2.434 1.00 0.00 H new ATOM 0 HB3 MET A 9 -12.140 -5.706 0.723 1.00 0.00 H new ATOM 0 HG2 MET A 9 -10.627 -3.538 2.218 1.00 0.00 H new ATOM 0 HG3 MET A 9 -9.964 -5.038 1.601 1.00 0.00 H new ATOM 0 HE1 MET A 9 -9.758 -4.547 -2.202 1.00 0.00 H new ATOM 0 HE2 MET A 9 -9.308 -5.517 -0.779 1.00 0.00 H new ATOM 0 HE3 MET A 9 -11.006 -5.448 -1.309 1.00 0.00 H new ATOM 149 N GLU A 10 -15.617 -4.129 1.458 1.00 0.00 N ATOM 150 CA GLU A 10 -16.927 -4.734 1.269 1.00 0.00 C ATOM 151 C GLU A 10 -17.560 -4.195 -0.005 1.00 0.00 C ATOM 152 O GLU A 10 -18.028 -4.952 -0.859 1.00 0.00 O ATOM 153 CB GLU A 10 -17.834 -4.437 2.463 1.00 0.00 C ATOM 154 CG GLU A 10 -17.228 -4.821 3.801 1.00 0.00 C ATOM 155 CD GLU A 10 -16.714 -6.243 3.817 1.00 0.00 C ATOM 156 OE1 GLU A 10 -17.533 -7.180 3.726 1.00 0.00 O ATOM 157 OE2 GLU A 10 -15.486 -6.433 3.922 1.00 0.00 O ATOM 0 H GLU A 10 -15.618 -3.291 2.039 1.00 0.00 H new ATOM 0 HA GLU A 10 -16.805 -5.814 1.187 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -18.070 -3.373 2.473 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -18.776 -4.971 2.334 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -16.410 -4.140 4.035 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -17.977 -4.700 4.584 1.00 0.00 H new ATOM 164 N ARG A 11 -17.562 -2.875 -0.123 1.00 0.00 N ATOM 165 CA ARG A 11 -18.120 -2.201 -1.287 1.00 0.00 C ATOM 166 C ARG A 11 -17.057 -2.061 -2.377 1.00 0.00 C ATOM 167 O ARG A 11 -17.365 -1.854 -3.554 1.00 0.00 O ATOM 168 CB ARG A 11 -18.654 -0.823 -0.880 1.00 0.00 C ATOM 169 CG ARG A 11 -19.216 -0.007 -2.030 1.00 0.00 C ATOM 170 CD ARG A 11 -19.599 1.389 -1.576 1.00 0.00 C ATOM 171 NE ARG A 11 -19.905 2.273 -2.700 1.00 0.00 N ATOM 172 CZ ARG A 11 -20.530 3.441 -2.573 1.00 0.00 C ATOM 173 NH1 ARG A 11 -20.920 3.862 -1.375 1.00 0.00 N ATOM 174 NH2 ARG A 11 -20.759 4.186 -3.645 1.00 0.00 N ATOM 0 H ARG A 11 -17.179 -2.244 0.581 1.00 0.00 H new ATOM 0 HA ARG A 11 -18.943 -2.796 -1.684 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -19.433 -0.955 -0.129 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -17.849 -0.259 -0.409 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -18.477 0.057 -2.829 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -20.090 -0.510 -2.444 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -20.465 1.330 -0.917 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -18.783 1.816 -0.993 1.00 0.00 H new ATOM 0 HE ARG A 11 -19.623 1.977 -3.635 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -20.741 3.290 -0.550 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -21.399 4.758 -1.280 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -20.456 3.864 -4.564 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -21.238 5.082 -3.551 1.00 0.00 H new ATOM 188 N HIS A 12 -15.801 -2.183 -1.978 1.00 0.00 N ATOM 189 CA HIS A 12 -14.692 -2.064 -2.912 1.00 0.00 C ATOM 190 C HIS A 12 -14.047 -3.420 -3.142 1.00 0.00 C ATOM 191 O HIS A 12 -13.842 -4.183 -2.203 1.00 0.00 O ATOM 192 CB HIS A 12 -13.656 -1.062 -2.396 1.00 0.00 C ATOM 193 CG HIS A 12 -14.221 0.295 -2.123 1.00 0.00 C ATOM 194 ND1 HIS A 12 -14.226 0.865 -0.868 1.00 0.00 N ATOM 195 CD2 HIS A 12 -14.808 1.195 -2.944 1.00 0.00 C ATOM 196 CE1 HIS A 12 -14.792 2.053 -0.930 1.00 0.00 C ATOM 197 NE2 HIS A 12 -15.154 2.278 -2.178 1.00 0.00 N ATOM 0 H HIS A 12 -15.524 -2.364 -1.013 1.00 0.00 H new ATOM 0 HA HIS A 12 -15.081 -1.697 -3.862 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -13.210 -1.452 -1.481 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -12.854 -0.972 -3.128 1.00 0.00 H new ATOM 0 HD1 HIS A 12 -13.850 0.434 -0.023 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -14.973 1.082 -4.005 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -14.935 2.728 -0.099 1.00 0.00 H new ATOM 206 N HIS A 13 -13.736 -3.717 -4.393 1.00 0.00 N ATOM 207 CA HIS A 13 -13.123 -4.994 -4.737 1.00 0.00 C ATOM 208 C HIS A 13 -11.617 -4.839 -4.903 1.00 0.00 C ATOM 209 O HIS A 13 -10.889 -5.826 -5.008 1.00 0.00 O ATOM 210 CB HIS A 13 -13.733 -5.560 -6.024 1.00 0.00 C ATOM 211 CG HIS A 13 -15.209 -5.800 -5.946 1.00 0.00 C ATOM 212 ND1 HIS A 13 -15.793 -6.648 -5.029 1.00 0.00 N ATOM 213 CD2 HIS A 13 -16.225 -5.292 -6.683 1.00 0.00 C ATOM 214 CE1 HIS A 13 -17.101 -6.650 -5.206 1.00 0.00 C ATOM 215 NE2 HIS A 13 -17.389 -5.836 -6.202 1.00 0.00 N ATOM 0 H HIS A 13 -13.896 -3.096 -5.186 1.00 0.00 H new ATOM 0 HA HIS A 13 -13.318 -5.690 -3.921 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -13.531 -4.870 -6.843 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -13.235 -6.499 -6.267 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -16.136 -4.589 -7.498 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -17.815 -7.222 -4.632 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -18.325 -5.642 -6.557 1.00 0.00 H new ATOM 224 N PHE A 14 -11.161 -3.594 -4.927 1.00 0.00 N ATOM 225 CA PHE A 14 -9.748 -3.295 -5.086 1.00 0.00 C ATOM 226 C PHE A 14 -9.400 -1.966 -4.422 1.00 0.00 C ATOM 227 O PHE A 14 -10.289 -1.192 -4.058 1.00 0.00 O ATOM 228 CB PHE A 14 -9.362 -3.272 -6.571 1.00 0.00 C ATOM 229 CG PHE A 14 -10.291 -2.474 -7.444 1.00 0.00 C ATOM 230 CD1 PHE A 14 -11.409 -3.065 -8.012 1.00 0.00 C ATOM 231 CD2 PHE A 14 -10.046 -1.134 -7.696 1.00 0.00 C ATOM 232 CE1 PHE A 14 -12.263 -2.338 -8.818 1.00 0.00 C ATOM 233 CE2 PHE A 14 -10.897 -0.401 -8.505 1.00 0.00 C ATOM 234 CZ PHE A 14 -12.010 -1.003 -9.062 1.00 0.00 C ATOM 0 H PHE A 14 -11.756 -2.770 -4.837 1.00 0.00 H new ATOM 0 HA PHE A 14 -9.177 -4.083 -4.596 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -8.355 -2.865 -6.666 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -9.327 -4.297 -6.940 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -11.615 -4.108 -7.822 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -9.182 -0.657 -7.257 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -13.128 -2.813 -9.257 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -10.692 0.641 -8.701 1.00 0.00 H new ATOM 0 HZ PHE A 14 -12.680 -0.430 -9.686 1.00 0.00 H new ATOM 244 N LEU A 15 -8.110 -1.703 -4.276 1.00 0.00 N ATOM 245 CA LEU A 15 -7.644 -0.480 -3.634 1.00 0.00 C ATOM 246 C LEU A 15 -7.496 0.659 -4.640 1.00 0.00 C ATOM 247 O LEU A 15 -7.823 1.808 -4.340 1.00 0.00 O ATOM 248 CB LEU A 15 -6.304 -0.723 -2.941 1.00 0.00 C ATOM 249 CG LEU A 15 -6.243 -1.952 -2.031 1.00 0.00 C ATOM 250 CD1 LEU A 15 -4.816 -2.192 -1.560 1.00 0.00 C ATOM 251 CD2 LEU A 15 -7.178 -1.792 -0.842 1.00 0.00 C ATOM 0 H LEU A 15 -7.364 -2.322 -4.594 1.00 0.00 H new ATOM 0 HA LEU A 15 -8.392 -0.192 -2.896 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -5.533 -0.820 -3.705 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -6.057 0.158 -2.349 1.00 0.00 H new ATOM 0 HG LEU A 15 -6.570 -2.819 -2.605 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -4.789 -3.069 -0.914 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.171 -2.357 -2.423 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -4.465 -1.322 -1.005 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -7.117 -2.678 -0.210 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -6.887 -0.914 -0.266 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -8.201 -1.669 -1.198 1.00 0.00 H new ATOM 263 N GLY A 16 -7.011 0.332 -5.829 1.00 0.00 N ATOM 264 CA GLY A 16 -6.811 1.336 -6.857 1.00 0.00 C ATOM 265 C GLY A 16 -5.562 2.173 -6.620 1.00 0.00 C ATOM 266 O GLY A 16 -5.614 3.398 -6.704 1.00 0.00 O ATOM 0 H GLY A 16 -6.751 -0.616 -6.102 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -6.738 0.847 -7.828 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -7.681 1.991 -6.895 1.00 0.00 H new ATOM 270 N ILE A 17 -4.443 1.512 -6.321 1.00 0.00 N ATOM 271 CA ILE A 17 -3.169 2.208 -6.069 1.00 0.00 C ATOM 272 C ILE A 17 -1.986 1.352 -6.498 1.00 0.00 C ATOM 273 O ILE A 17 -1.653 0.374 -5.834 1.00 0.00 O ATOM 274 CB ILE A 17 -2.973 2.573 -4.578 1.00 0.00 C ATOM 275 CG1 ILE A 17 -3.492 1.454 -3.661 1.00 0.00 C ATOM 276 CG2 ILE A 17 -3.644 3.896 -4.253 1.00 0.00 C ATOM 277 CD1 ILE A 17 -2.884 1.477 -2.273 1.00 0.00 C ATOM 0 H ILE A 17 -4.387 0.496 -6.246 1.00 0.00 H new ATOM 0 HA ILE A 17 -3.214 3.126 -6.655 1.00 0.00 H new ATOM 0 HB ILE A 17 -1.904 2.682 -4.398 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -4.575 1.539 -3.576 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -3.283 0.490 -4.124 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -3.493 4.132 -3.200 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -3.210 4.685 -4.867 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -4.712 3.823 -4.459 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -3.296 0.660 -1.682 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.803 1.361 -2.347 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -3.115 2.427 -1.790 1.00 0.00 H new ATOM 289 N SER A 18 -1.350 1.715 -7.601 1.00 0.00 N ATOM 290 CA SER A 18 -0.221 0.944 -8.091 1.00 0.00 C ATOM 291 C SER A 18 1.008 1.169 -7.220 1.00 0.00 C ATOM 292 O SER A 18 1.369 2.304 -6.899 1.00 0.00 O ATOM 293 CB SER A 18 0.062 1.259 -9.566 1.00 0.00 C ATOM 294 OG SER A 18 0.706 2.517 -9.723 1.00 0.00 O ATOM 0 H SER A 18 -1.593 2.528 -8.167 1.00 0.00 H new ATOM 0 HA SER A 18 -0.477 -0.114 -8.029 1.00 0.00 H new ATOM 0 HB2 SER A 18 0.688 0.475 -9.992 1.00 0.00 H new ATOM 0 HB3 SER A 18 -0.874 1.258 -10.124 1.00 0.00 H new ATOM 0 HG SER A 18 0.176 3.084 -10.321 1.00 0.00 H new ATOM 300 N ILE A 19 1.626 0.072 -6.810 1.00 0.00 N ATOM 301 CA ILE A 19 2.806 0.129 -5.964 1.00 0.00 C ATOM 302 C ILE A 19 4.070 0.242 -6.808 1.00 0.00 C ATOM 303 O ILE A 19 4.262 -0.519 -7.756 1.00 0.00 O ATOM 304 CB ILE A 19 2.916 -1.122 -5.066 1.00 0.00 C ATOM 305 CG1 ILE A 19 1.546 -1.516 -4.501 1.00 0.00 C ATOM 306 CG2 ILE A 19 3.904 -0.873 -3.937 1.00 0.00 C ATOM 307 CD1 ILE A 19 0.864 -0.417 -3.708 1.00 0.00 C ATOM 0 H ILE A 19 1.327 -0.873 -7.052 1.00 0.00 H new ATOM 0 HA ILE A 19 2.705 1.012 -5.333 1.00 0.00 H new ATOM 0 HB ILE A 19 3.279 -1.949 -5.676 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.896 -1.811 -5.325 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.667 -2.390 -3.861 1.00 0.00 H new ATOM 0 HG21 ILE A 19 3.973 -1.763 -3.311 1.00 0.00 H new ATOM 0 HG22 ILE A 19 4.885 -0.647 -4.355 1.00 0.00 H new ATOM 0 HG23 ILE A 19 3.564 -0.031 -3.335 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.099 -0.775 -3.343 1.00 0.00 H new ATOM 0 HD12 ILE A 19 1.491 -0.136 -2.862 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.709 0.451 -4.349 1.00 0.00 H new ATOM 319 N VAL A 20 4.912 1.208 -6.472 1.00 0.00 N ATOM 320 CA VAL A 20 6.167 1.414 -7.180 1.00 0.00 C ATOM 321 C VAL A 20 7.339 1.247 -6.222 1.00 0.00 C ATOM 322 O VAL A 20 7.477 2.007 -5.262 1.00 0.00 O ATOM 323 CB VAL A 20 6.244 2.813 -7.830 1.00 0.00 C ATOM 324 CG1 VAL A 20 7.572 2.993 -8.553 1.00 0.00 C ATOM 325 CG2 VAL A 20 5.081 3.025 -8.785 1.00 0.00 C ATOM 0 H VAL A 20 4.748 1.865 -5.709 1.00 0.00 H new ATOM 0 HA VAL A 20 6.216 0.667 -7.972 1.00 0.00 H new ATOM 0 HB VAL A 20 6.178 3.562 -7.041 1.00 0.00 H new ATOM 0 HG11 VAL A 20 7.609 3.984 -9.005 1.00 0.00 H new ATOM 0 HG12 VAL A 20 8.391 2.888 -7.841 1.00 0.00 H new ATOM 0 HG13 VAL A 20 7.668 2.236 -9.331 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.154 4.016 -9.232 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.112 2.269 -9.570 1.00 0.00 H new ATOM 0 HG23 VAL A 20 4.142 2.942 -8.239 1.00 0.00 H new ATOM 335 N GLY A 21 8.166 0.244 -6.475 1.00 0.00 N ATOM 336 CA GLY A 21 9.311 0.003 -5.627 1.00 0.00 C ATOM 337 C GLY A 21 10.491 0.871 -6.010 1.00 0.00 C ATOM 338 O GLY A 21 10.834 0.979 -7.190 1.00 0.00 O ATOM 0 H GLY A 21 8.063 -0.407 -7.253 1.00 0.00 H new ATOM 0 HA2 GLY A 21 9.041 0.196 -4.589 1.00 0.00 H new ATOM 0 HA3 GLY A 21 9.596 -1.047 -5.692 1.00 0.00 H new ATOM 342 N GLN A 22 11.098 1.508 -5.021 1.00 0.00 N ATOM 343 CA GLN A 22 12.244 2.365 -5.267 1.00 0.00 C ATOM 344 C GLN A 22 13.529 1.550 -5.223 1.00 0.00 C ATOM 345 O GLN A 22 14.002 1.165 -4.151 1.00 0.00 O ATOM 346 CB GLN A 22 12.300 3.505 -4.243 1.00 0.00 C ATOM 347 CG GLN A 22 13.345 4.562 -4.569 1.00 0.00 C ATOM 348 CD GLN A 22 13.328 5.747 -3.620 1.00 0.00 C ATOM 349 OE1 GLN A 22 13.556 6.883 -4.033 1.00 0.00 O ATOM 350 NE2 GLN A 22 13.070 5.496 -2.347 1.00 0.00 N ATOM 0 H GLN A 22 10.816 1.447 -4.043 1.00 0.00 H new ATOM 0 HA GLN A 22 12.139 2.803 -6.260 1.00 0.00 H new ATOM 0 HB2 GLN A 22 11.320 3.979 -4.185 1.00 0.00 H new ATOM 0 HB3 GLN A 22 12.511 3.088 -3.258 1.00 0.00 H new ATOM 0 HG2 GLN A 22 14.333 4.103 -4.546 1.00 0.00 H new ATOM 0 HG3 GLN A 22 13.183 4.919 -5.586 1.00 0.00 H new ATOM 0 HE21 GLN A 22 12.886 4.540 -2.043 1.00 0.00 H new ATOM 0 HE22 GLN A 22 13.055 6.258 -1.670 1.00 0.00 H new ATOM 359 N SER A 23 14.066 1.255 -6.395 1.00 0.00 N ATOM 360 CA SER A 23 15.298 0.495 -6.500 1.00 0.00 C ATOM 361 C SER A 23 16.480 1.434 -6.698 1.00 0.00 C ATOM 362 O SER A 23 16.340 2.506 -7.298 1.00 0.00 O ATOM 363 CB SER A 23 15.206 -0.501 -7.653 1.00 0.00 C ATOM 364 OG SER A 23 13.955 -1.168 -7.634 1.00 0.00 O ATOM 0 H SER A 23 13.665 1.532 -7.291 1.00 0.00 H new ATOM 0 HA SER A 23 15.449 -0.060 -5.574 1.00 0.00 H new ATOM 0 HB2 SER A 23 15.333 0.020 -8.602 1.00 0.00 H new ATOM 0 HB3 SER A 23 16.014 -1.229 -7.578 1.00 0.00 H new ATOM 0 HG SER A 23 13.911 -1.802 -8.380 1.00 0.00 H new ATOM 370 N ASN A 24 17.638 1.038 -6.192 1.00 0.00 N ATOM 371 CA ASN A 24 18.841 1.854 -6.293 1.00 0.00 C ATOM 372 C ASN A 24 20.062 1.003 -5.957 1.00 0.00 C ATOM 373 O ASN A 24 19.952 -0.222 -5.879 1.00 0.00 O ATOM 374 CB ASN A 24 18.745 3.048 -5.338 1.00 0.00 C ATOM 375 CG ASN A 24 19.425 4.291 -5.871 1.00 0.00 C ATOM 376 OD1 ASN A 24 20.440 4.215 -6.563 1.00 0.00 O ATOM 377 ND2 ASN A 24 18.873 5.447 -5.544 1.00 0.00 N ATOM 0 H ASN A 24 17.771 0.152 -5.705 1.00 0.00 H new ATOM 0 HA ASN A 24 18.939 2.231 -7.311 1.00 0.00 H new ATOM 0 HB2 ASN A 24 17.695 3.269 -5.147 1.00 0.00 H new ATOM 0 HB3 ASN A 24 19.193 2.778 -4.382 1.00 0.00 H new ATOM 0 HD21 ASN A 24 19.289 6.320 -5.868 1.00 0.00 H new ATOM 0 HD22 ASN A 24 18.031 5.465 -4.968 1.00 0.00 H new ATOM 384 N ASP A 25 21.211 1.644 -5.741 1.00 0.00 N ATOM 385 CA ASP A 25 22.449 0.931 -5.412 1.00 0.00 C ATOM 386 C ASP A 25 22.252 0.026 -4.199 1.00 0.00 C ATOM 387 O ASP A 25 22.745 -1.101 -4.171 1.00 0.00 O ATOM 388 CB ASP A 25 23.594 1.911 -5.150 1.00 0.00 C ATOM 389 CG ASP A 25 24.369 2.253 -6.408 1.00 0.00 C ATOM 390 OD1 ASP A 25 25.153 1.400 -6.888 1.00 0.00 O ATOM 391 OD2 ASP A 25 24.201 3.379 -6.925 1.00 0.00 O ATOM 0 H ASP A 25 21.312 2.658 -5.788 1.00 0.00 H new ATOM 0 HA ASP A 25 22.710 0.313 -6.271 1.00 0.00 H new ATOM 0 HB2 ASP A 25 23.192 2.826 -4.716 1.00 0.00 H new ATOM 0 HB3 ASP A 25 24.274 1.481 -4.414 1.00 0.00 H new ATOM 396 N ARG A 26 21.528 0.517 -3.202 1.00 0.00 N ATOM 397 CA ARG A 26 21.258 -0.279 -2.014 1.00 0.00 C ATOM 398 C ARG A 26 20.096 -1.225 -2.293 1.00 0.00 C ATOM 399 O ARG A 26 20.277 -2.441 -2.335 1.00 0.00 O ATOM 400 CB ARG A 26 20.956 0.611 -0.807 1.00 0.00 C ATOM 401 CG ARG A 26 22.111 1.520 -0.410 1.00 0.00 C ATOM 402 CD ARG A 26 23.348 0.730 -0.006 1.00 0.00 C ATOM 403 NE ARG A 26 24.428 1.608 0.444 1.00 0.00 N ATOM 404 CZ ARG A 26 24.643 1.936 1.718 1.00 0.00 C ATOM 405 NH1 ARG A 26 23.858 1.457 2.678 1.00 0.00 N ATOM 406 NH2 ARG A 26 25.643 2.749 2.033 1.00 0.00 N ATOM 0 H ARG A 26 21.121 1.452 -3.192 1.00 0.00 H new ATOM 0 HA ARG A 26 22.147 -0.862 -1.773 1.00 0.00 H new ATOM 0 HB2 ARG A 26 20.083 1.224 -1.029 1.00 0.00 H new ATOM 0 HB3 ARG A 26 20.694 -0.021 0.042 1.00 0.00 H new ATOM 0 HG2 ARG A 26 22.357 2.178 -1.244 1.00 0.00 H new ATOM 0 HG3 ARG A 26 21.802 2.158 0.418 1.00 0.00 H new ATOM 0 HD2 ARG A 26 23.090 0.033 0.791 1.00 0.00 H new ATOM 0 HD3 ARG A 26 23.692 0.134 -0.852 1.00 0.00 H new ATOM 0 HE ARG A 26 25.056 1.993 -0.261 1.00 0.00 H new ATOM 0 HH11 ARG A 26 23.085 0.834 2.442 1.00 0.00 H new ATOM 0 HH12 ARG A 26 24.028 1.712 3.651 1.00 0.00 H new ATOM 0 HH21 ARG A 26 26.247 3.123 1.301 1.00 0.00 H new ATOM 0 HH22 ARG A 26 25.808 3.000 3.008 1.00 0.00 H new ATOM 420 N GLY A 27 18.910 -0.670 -2.513 1.00 0.00 N ATOM 421 CA GLY A 27 17.761 -1.500 -2.816 1.00 0.00 C ATOM 422 C GLY A 27 16.601 -1.309 -1.858 1.00 0.00 C ATOM 423 O GLY A 27 15.450 -1.534 -2.231 1.00 0.00 O ATOM 0 H GLY A 27 18.725 0.333 -2.487 1.00 0.00 H new ATOM 0 HA2 GLY A 27 17.424 -1.282 -3.829 1.00 0.00 H new ATOM 0 HA3 GLY A 27 18.066 -2.546 -2.800 1.00 0.00 H new ATOM 427 N ASP A 28 16.889 -0.886 -0.634 1.00 0.00 N ATOM 428 CA ASP A 28 15.846 -0.682 0.373 1.00 0.00 C ATOM 429 C ASP A 28 15.216 0.705 0.251 1.00 0.00 C ATOM 430 O ASP A 28 14.982 1.389 1.249 1.00 0.00 O ATOM 431 CB ASP A 28 16.417 -0.885 1.785 1.00 0.00 C ATOM 432 CG ASP A 28 17.515 0.107 2.130 1.00 0.00 C ATOM 433 OD1 ASP A 28 18.593 0.050 1.499 1.00 0.00 O ATOM 434 OD2 ASP A 28 17.309 0.947 3.031 1.00 0.00 O ATOM 0 H ASP A 28 17.834 -0.677 -0.311 1.00 0.00 H new ATOM 0 HA ASP A 28 15.065 -1.422 0.197 1.00 0.00 H new ATOM 0 HB2 ASP A 28 15.611 -0.794 2.513 1.00 0.00 H new ATOM 0 HB3 ASP A 28 16.810 -1.898 1.870 1.00 0.00 H new ATOM 439 N GLY A 29 14.926 1.107 -0.980 1.00 0.00 N ATOM 440 CA GLY A 29 14.325 2.406 -1.221 1.00 0.00 C ATOM 441 C GLY A 29 12.919 2.508 -0.671 1.00 0.00 C ATOM 442 O GLY A 29 12.488 3.581 -0.250 1.00 0.00 O ATOM 0 H GLY A 29 15.097 0.554 -1.820 1.00 0.00 H new ATOM 0 HA2 GLY A 29 14.945 3.179 -0.768 1.00 0.00 H new ATOM 0 HA3 GLY A 29 14.307 2.600 -2.293 1.00 0.00 H new ATOM 446 N GLY A 30 12.200 1.400 -0.679 1.00 0.00 N ATOM 447 CA GLY A 30 10.847 1.396 -0.162 1.00 0.00 C ATOM 448 C GLY A 30 9.810 1.437 -1.264 1.00 0.00 C ATOM 449 O GLY A 30 10.138 1.680 -2.427 1.00 0.00 O ATOM 0 H GLY A 30 12.527 0.501 -1.034 1.00 0.00 H new ATOM 0 HA2 GLY A 30 10.695 0.503 0.444 1.00 0.00 H new ATOM 0 HA3 GLY A 30 10.709 2.254 0.495 1.00 0.00 H new ATOM 453 N ILE A 31 8.558 1.202 -0.904 1.00 0.00 N ATOM 454 CA ILE A 31 7.477 1.209 -1.877 1.00 0.00 C ATOM 455 C ILE A 31 6.673 2.501 -1.793 1.00 0.00 C ATOM 456 O ILE A 31 6.265 2.930 -0.710 1.00 0.00 O ATOM 457 CB ILE A 31 6.534 0.002 -1.698 1.00 0.00 C ATOM 458 CG1 ILE A 31 6.184 -0.204 -0.220 1.00 0.00 C ATOM 459 CG2 ILE A 31 7.173 -1.252 -2.278 1.00 0.00 C ATOM 460 CD1 ILE A 31 5.028 -1.157 0.000 1.00 0.00 C ATOM 0 H ILE A 31 8.266 1.004 0.053 1.00 0.00 H new ATOM 0 HA ILE A 31 7.941 1.138 -2.861 1.00 0.00 H new ATOM 0 HB ILE A 31 5.608 0.204 -2.237 1.00 0.00 H new ATOM 0 HG12 ILE A 31 7.062 -0.583 0.304 1.00 0.00 H new ATOM 0 HG13 ILE A 31 5.939 0.760 0.225 1.00 0.00 H new ATOM 0 HG21 ILE A 31 6.499 -2.098 -2.146 1.00 0.00 H new ATOM 0 HG22 ILE A 31 7.366 -1.104 -3.340 1.00 0.00 H new ATOM 0 HG23 ILE A 31 8.112 -1.453 -1.763 1.00 0.00 H new ATOM 0 HD11 ILE A 31 4.836 -1.255 1.068 1.00 0.00 H new ATOM 0 HD12 ILE A 31 4.138 -0.769 -0.495 1.00 0.00 H new ATOM 0 HD13 ILE A 31 5.277 -2.134 -0.415 1.00 0.00 H new ATOM 472 N TYR A 32 6.466 3.126 -2.943 1.00 0.00 N ATOM 473 CA TYR A 32 5.717 4.372 -3.019 1.00 0.00 C ATOM 474 C TYR A 32 4.477 4.191 -3.883 1.00 0.00 C ATOM 475 O TYR A 32 4.417 3.286 -4.715 1.00 0.00 O ATOM 476 CB TYR A 32 6.585 5.486 -3.614 1.00 0.00 C ATOM 477 CG TYR A 32 7.741 5.924 -2.735 1.00 0.00 C ATOM 478 CD1 TYR A 32 8.888 5.151 -2.621 1.00 0.00 C ATOM 479 CD2 TYR A 32 7.683 7.118 -2.026 1.00 0.00 C ATOM 480 CE1 TYR A 32 9.944 5.553 -1.826 1.00 0.00 C ATOM 481 CE2 TYR A 32 8.736 7.528 -1.228 1.00 0.00 C ATOM 482 CZ TYR A 32 9.865 6.742 -1.131 1.00 0.00 C ATOM 483 OH TYR A 32 10.920 7.145 -0.338 1.00 0.00 O ATOM 0 H TYR A 32 6.809 2.788 -3.842 1.00 0.00 H new ATOM 0 HA TYR A 32 5.419 4.649 -2.008 1.00 0.00 H new ATOM 0 HB2 TYR A 32 6.982 5.147 -4.571 1.00 0.00 H new ATOM 0 HB3 TYR A 32 5.953 6.351 -3.819 1.00 0.00 H new ATOM 0 HD1 TYR A 32 8.956 4.219 -3.163 1.00 0.00 H new ATOM 0 HD2 TYR A 32 6.801 7.736 -2.099 1.00 0.00 H new ATOM 0 HE1 TYR A 32 10.829 4.938 -1.749 1.00 0.00 H new ATOM 0 HE2 TYR A 32 8.674 8.459 -0.684 1.00 0.00 H new ATOM 0 HH TYR A 32 10.806 6.785 0.566 1.00 0.00 H new ATOM 493 N ILE A 33 3.487 5.047 -3.676 1.00 0.00 N ATOM 494 CA ILE A 33 2.261 4.995 -4.456 1.00 0.00 C ATOM 495 C ILE A 33 2.497 5.623 -5.825 1.00 0.00 C ATOM 496 O ILE A 33 2.838 6.807 -5.927 1.00 0.00 O ATOM 497 CB ILE A 33 1.101 5.732 -3.749 1.00 0.00 C ATOM 498 CG1 ILE A 33 0.846 5.140 -2.359 1.00 0.00 C ATOM 499 CG2 ILE A 33 -0.169 5.684 -4.592 1.00 0.00 C ATOM 500 CD1 ILE A 33 0.578 3.651 -2.368 1.00 0.00 C ATOM 0 H ILE A 33 3.510 5.786 -2.974 1.00 0.00 H new ATOM 0 HA ILE A 33 1.981 3.947 -4.565 1.00 0.00 H new ATOM 0 HB ILE A 33 1.391 6.776 -3.629 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.710 5.340 -1.725 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.005 5.650 -1.908 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.970 6.209 -4.073 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.015 6.162 -5.554 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.460 4.646 -4.752 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.407 3.306 -1.348 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.304 3.444 -2.974 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.438 3.129 -2.788 1.00 0.00 H new ATOM 512 N GLY A 34 2.320 4.827 -6.870 1.00 0.00 N ATOM 513 CA GLY A 34 2.535 5.306 -8.218 1.00 0.00 C ATOM 514 C GLY A 34 1.345 6.058 -8.766 1.00 0.00 C ATOM 515 O GLY A 34 1.407 7.272 -8.963 1.00 0.00 O ATOM 0 H GLY A 34 2.029 3.851 -6.806 1.00 0.00 H new ATOM 0 HA2 GLY A 34 3.409 5.957 -8.233 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.756 4.460 -8.869 1.00 0.00 H new ATOM 519 N SER A 35 0.256 5.345 -9.006 1.00 0.00 N ATOM 520 CA SER A 35 -0.941 5.963 -9.550 1.00 0.00 C ATOM 521 C SER A 35 -2.197 5.455 -8.851 1.00 0.00 C ATOM 522 O SER A 35 -2.275 4.282 -8.474 1.00 0.00 O ATOM 523 CB SER A 35 -1.030 5.684 -11.052 1.00 0.00 C ATOM 524 OG SER A 35 -0.626 4.357 -11.354 1.00 0.00 O ATOM 0 H SER A 35 0.177 4.343 -8.833 1.00 0.00 H new ATOM 0 HA SER A 35 -0.875 7.038 -9.380 1.00 0.00 H new ATOM 0 HB2 SER A 35 -2.053 5.842 -11.394 1.00 0.00 H new ATOM 0 HB3 SER A 35 -0.401 6.390 -11.593 1.00 0.00 H new ATOM 0 HG SER A 35 -0.694 4.206 -12.320 1.00 0.00 H new ATOM 530 N ILE A 36 -3.164 6.347 -8.678 1.00 0.00 N ATOM 531 CA ILE A 36 -4.429 6.004 -8.044 1.00 0.00 C ATOM 532 C ILE A 36 -5.499 5.844 -9.112 1.00 0.00 C ATOM 533 O ILE A 36 -5.596 6.662 -10.025 1.00 0.00 O ATOM 534 CB ILE A 36 -4.881 7.078 -7.028 1.00 0.00 C ATOM 535 CG1 ILE A 36 -3.782 7.322 -5.994 1.00 0.00 C ATOM 536 CG2 ILE A 36 -6.180 6.661 -6.341 1.00 0.00 C ATOM 537 CD1 ILE A 36 -4.103 8.437 -5.022 1.00 0.00 C ATOM 0 H ILE A 36 -3.094 7.322 -8.971 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.285 5.071 -7.500 1.00 0.00 H new ATOM 0 HB ILE A 36 -5.066 8.007 -7.567 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.610 6.402 -5.435 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.853 7.559 -6.512 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -6.479 7.431 -5.630 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -6.963 6.533 -7.089 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -6.026 5.720 -5.813 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.279 8.554 -4.318 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -4.246 9.368 -5.571 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -5.015 8.193 -4.477 1.00 0.00 H new ATOM 549 N MET A 37 -6.288 4.793 -9.009 1.00 0.00 N ATOM 550 CA MET A 37 -7.342 4.546 -9.980 1.00 0.00 C ATOM 551 C MET A 37 -8.709 4.794 -9.363 1.00 0.00 C ATOM 552 O MET A 37 -8.984 4.370 -8.237 1.00 0.00 O ATOM 553 CB MET A 37 -7.257 3.118 -10.520 1.00 0.00 C ATOM 554 CG MET A 37 -6.040 2.878 -11.396 1.00 0.00 C ATOM 555 SD MET A 37 -5.966 4.004 -12.805 1.00 0.00 S ATOM 556 CE MET A 37 -4.384 3.557 -13.518 1.00 0.00 C ATOM 0 H MET A 37 -6.222 4.097 -8.266 1.00 0.00 H new ATOM 0 HA MET A 37 -7.205 5.239 -10.810 1.00 0.00 H new ATOM 0 HB2 MET A 37 -7.236 2.421 -9.682 1.00 0.00 H new ATOM 0 HB3 MET A 37 -8.158 2.900 -11.094 1.00 0.00 H new ATOM 0 HG2 MET A 37 -5.137 2.992 -10.796 1.00 0.00 H new ATOM 0 HG3 MET A 37 -6.054 1.850 -11.758 1.00 0.00 H new ATOM 0 HE1 MET A 37 -4.197 4.169 -14.400 1.00 0.00 H new ATOM 0 HE2 MET A 37 -3.594 3.725 -12.786 1.00 0.00 H new ATOM 0 HE3 MET A 37 -4.397 2.505 -13.803 1.00 0.00 H new ATOM 566 N LYS A 38 -9.558 5.489 -10.106 1.00 0.00 N ATOM 567 CA LYS A 38 -10.899 5.805 -9.643 1.00 0.00 C ATOM 568 C LYS A 38 -11.728 4.532 -9.514 1.00 0.00 C ATOM 569 O LYS A 38 -11.689 3.657 -10.384 1.00 0.00 O ATOM 570 CB LYS A 38 -11.572 6.787 -10.606 1.00 0.00 C ATOM 571 CG LYS A 38 -12.839 7.420 -10.054 1.00 0.00 C ATOM 572 CD LYS A 38 -12.543 8.331 -8.874 1.00 0.00 C ATOM 573 CE LYS A 38 -13.759 9.148 -8.478 1.00 0.00 C ATOM 574 NZ LYS A 38 -14.911 8.283 -8.106 1.00 0.00 N ATOM 0 H LYS A 38 -9.339 5.846 -11.036 1.00 0.00 H new ATOM 0 HA LYS A 38 -10.830 6.273 -8.661 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.864 7.576 -10.859 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -11.812 6.265 -11.532 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -13.333 7.991 -10.840 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -13.532 6.638 -9.745 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -12.215 7.732 -8.025 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -11.721 9.001 -9.128 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -13.504 9.794 -7.638 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -14.045 9.798 -9.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -15.674 8.871 -7.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -15.257 7.784 -8.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -14.608 7.589 -7.393 1.00 0.00 H new ATOM 588 N GLY A 39 -12.456 4.425 -8.411 1.00 0.00 N ATOM 589 CA GLY A 39 -13.274 3.254 -8.176 1.00 0.00 C ATOM 590 C GLY A 39 -12.688 2.379 -7.088 1.00 0.00 C ATOM 591 O GLY A 39 -13.355 1.484 -6.567 1.00 0.00 O ATOM 0 H GLY A 39 -12.494 5.130 -7.674 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -14.281 3.562 -7.894 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -13.363 2.680 -9.098 1.00 0.00 H new ATOM 595 N GLY A 40 -11.431 2.639 -6.750 1.00 0.00 N ATOM 596 CA GLY A 40 -10.766 1.871 -5.719 1.00 0.00 C ATOM 597 C GLY A 40 -11.068 2.388 -4.331 1.00 0.00 C ATOM 598 O GLY A 40 -11.565 3.505 -4.171 1.00 0.00 O ATOM 0 H GLY A 40 -10.860 3.370 -7.174 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -11.075 0.828 -5.791 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -9.689 1.897 -5.887 1.00 0.00 H new ATOM 602 N ALA A 41 -10.767 1.575 -3.327 1.00 0.00 N ATOM 603 CA ALA A 41 -11.005 1.936 -1.937 1.00 0.00 C ATOM 604 C ALA A 41 -10.225 3.187 -1.539 1.00 0.00 C ATOM 605 O ALA A 41 -10.717 4.018 -0.778 1.00 0.00 O ATOM 606 CB ALA A 41 -10.647 0.772 -1.024 1.00 0.00 C ATOM 0 H ALA A 41 -10.353 0.651 -3.453 1.00 0.00 H new ATOM 0 HA ALA A 41 -12.066 2.162 -1.827 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -10.829 1.054 0.013 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -11.261 -0.092 -1.278 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -9.594 0.520 -1.152 1.00 0.00 H new ATOM 612 N VAL A 42 -9.018 3.326 -2.072 1.00 0.00 N ATOM 613 CA VAL A 42 -8.178 4.477 -1.758 1.00 0.00 C ATOM 614 C VAL A 42 -8.733 5.744 -2.399 1.00 0.00 C ATOM 615 O VAL A 42 -8.670 6.828 -1.814 1.00 0.00 O ATOM 616 CB VAL A 42 -6.724 4.252 -2.215 1.00 0.00 C ATOM 617 CG1 VAL A 42 -5.876 5.487 -1.955 1.00 0.00 C ATOM 618 CG2 VAL A 42 -6.132 3.042 -1.510 1.00 0.00 C ATOM 0 H VAL A 42 -8.599 2.660 -2.721 1.00 0.00 H new ATOM 0 HA VAL A 42 -8.183 4.598 -0.675 1.00 0.00 H new ATOM 0 HB VAL A 42 -6.728 4.065 -3.289 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -4.854 5.303 -2.286 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -6.288 6.334 -2.504 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.877 5.711 -0.888 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -5.104 2.894 -1.842 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -6.145 3.206 -0.433 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -6.721 2.157 -1.749 1.00 0.00 H new ATOM 628 N ALA A 43 -9.304 5.598 -3.589 1.00 0.00 N ATOM 629 CA ALA A 43 -9.883 6.727 -4.303 1.00 0.00 C ATOM 630 C ALA A 43 -11.092 7.271 -3.551 1.00 0.00 C ATOM 631 O ALA A 43 -11.465 8.435 -3.707 1.00 0.00 O ATOM 632 CB ALA A 43 -10.268 6.317 -5.716 1.00 0.00 C ATOM 0 H ALA A 43 -9.378 4.707 -4.080 1.00 0.00 H new ATOM 0 HA ALA A 43 -9.137 7.519 -4.366 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -10.700 7.171 -6.238 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -9.381 5.976 -6.250 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -11.000 5.510 -5.674 1.00 0.00 H new ATOM 638 N ALA A 44 -11.690 6.423 -2.720 1.00 0.00 N ATOM 639 CA ALA A 44 -12.847 6.813 -1.933 1.00 0.00 C ATOM 640 C ALA A 44 -12.418 7.565 -0.674 1.00 0.00 C ATOM 641 O ALA A 44 -13.233 8.210 -0.016 1.00 0.00 O ATOM 642 CB ALA A 44 -13.675 5.589 -1.570 1.00 0.00 C ATOM 0 H ALA A 44 -11.389 5.459 -2.576 1.00 0.00 H new ATOM 0 HA ALA A 44 -13.462 7.483 -2.534 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -14.539 5.896 -0.980 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -14.014 5.096 -2.481 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -13.066 4.897 -0.988 1.00 0.00 H new ATOM 648 N ASP A 45 -11.134 7.482 -0.347 1.00 0.00 N ATOM 649 CA ASP A 45 -10.602 8.158 0.832 1.00 0.00 C ATOM 650 C ASP A 45 -10.166 9.574 0.472 1.00 0.00 C ATOM 651 O ASP A 45 -10.831 10.544 0.830 1.00 0.00 O ATOM 652 CB ASP A 45 -9.419 7.384 1.423 1.00 0.00 C ATOM 653 CG ASP A 45 -9.014 7.910 2.786 1.00 0.00 C ATOM 654 OD1 ASP A 45 -8.436 9.012 2.854 1.00 0.00 O ATOM 655 OD2 ASP A 45 -9.280 7.228 3.797 1.00 0.00 O ATOM 0 H ASP A 45 -10.442 6.955 -0.880 1.00 0.00 H new ATOM 0 HA ASP A 45 -11.392 8.203 1.582 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -9.682 6.329 1.506 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -8.569 7.448 0.743 1.00 0.00 H new ATOM 660 N GLY A 46 -9.050 9.685 -0.242 1.00 0.00 N ATOM 661 CA GLY A 46 -8.558 10.987 -0.651 1.00 0.00 C ATOM 662 C GLY A 46 -7.295 11.426 0.076 1.00 0.00 C ATOM 663 O GLY A 46 -6.567 12.292 -0.416 1.00 0.00 O ATOM 0 H GLY A 46 -8.478 8.896 -0.544 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -8.361 10.970 -1.723 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -9.339 11.729 -0.483 1.00 0.00 H new ATOM 667 N ARG A 47 -7.021 10.837 1.237 1.00 0.00 N ATOM 668 CA ARG A 47 -5.836 11.205 2.015 1.00 0.00 C ATOM 669 C ARG A 47 -4.549 10.691 1.370 1.00 0.00 C ATOM 670 O ARG A 47 -3.489 11.308 1.500 1.00 0.00 O ATOM 671 CB ARG A 47 -5.948 10.688 3.451 1.00 0.00 C ATOM 672 CG ARG A 47 -6.813 11.564 4.344 1.00 0.00 C ATOM 673 CD ARG A 47 -7.108 10.892 5.675 1.00 0.00 C ATOM 674 NE ARG A 47 -7.980 9.731 5.518 1.00 0.00 N ATOM 675 CZ ARG A 47 -8.692 9.192 6.509 1.00 0.00 C ATOM 676 NH1 ARG A 47 -8.615 9.684 7.737 1.00 0.00 N ATOM 677 NH2 ARG A 47 -9.470 8.146 6.268 1.00 0.00 N ATOM 0 H ARG A 47 -7.597 10.108 1.659 1.00 0.00 H new ATOM 0 HA ARG A 47 -5.789 12.294 2.032 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -6.361 9.679 3.435 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -4.949 10.617 3.882 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -6.309 12.514 4.520 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -7.750 11.790 3.835 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -6.172 10.583 6.141 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -7.577 11.610 6.348 1.00 0.00 H new ATOM 0 HE ARG A 47 -8.049 9.306 4.593 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -8.008 10.481 7.930 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -9.163 9.266 8.489 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -9.523 7.756 5.327 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -10.016 7.731 7.023 1.00 0.00 H new ATOM 691 N ILE A 48 -4.640 9.562 0.688 1.00 0.00 N ATOM 692 CA ILE A 48 -3.481 8.983 0.026 1.00 0.00 C ATOM 693 C ILE A 48 -3.326 9.586 -1.363 1.00 0.00 C ATOM 694 O ILE A 48 -4.312 9.771 -2.076 1.00 0.00 O ATOM 695 CB ILE A 48 -3.599 7.447 -0.082 1.00 0.00 C ATOM 696 CG1 ILE A 48 -3.822 6.833 1.302 1.00 0.00 C ATOM 697 CG2 ILE A 48 -2.355 6.857 -0.731 1.00 0.00 C ATOM 698 CD1 ILE A 48 -3.964 5.326 1.283 1.00 0.00 C ATOM 0 H ILE A 48 -5.502 9.028 0.578 1.00 0.00 H new ATOM 0 HA ILE A 48 -2.601 9.212 0.628 1.00 0.00 H new ATOM 0 HB ILE A 48 -4.457 7.211 -0.711 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -2.987 7.102 1.948 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -4.719 7.268 1.743 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -2.458 5.774 -0.798 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -2.235 7.272 -1.732 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -1.480 7.102 -0.129 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -4.119 4.962 2.299 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -4.817 5.049 0.664 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -3.058 4.880 0.873 1.00 0.00 H new ATOM 710 N GLU A 49 -2.096 9.903 -1.733 1.00 0.00 N ATOM 711 CA GLU A 49 -1.813 10.491 -3.035 1.00 0.00 C ATOM 712 C GLU A 49 -0.510 9.920 -3.600 1.00 0.00 C ATOM 713 O GLU A 49 0.272 9.315 -2.863 1.00 0.00 O ATOM 714 CB GLU A 49 -1.731 12.023 -2.914 1.00 0.00 C ATOM 715 CG GLU A 49 -0.560 12.502 -2.077 1.00 0.00 C ATOM 716 CD GLU A 49 -0.755 13.903 -1.539 1.00 0.00 C ATOM 717 OE1 GLU A 49 -0.644 14.872 -2.316 1.00 0.00 O ATOM 718 OE2 GLU A 49 -1.011 14.043 -0.327 1.00 0.00 O ATOM 0 H GLU A 49 -1.273 9.763 -1.148 1.00 0.00 H new ATOM 0 HA GLU A 49 -2.622 10.242 -3.722 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -1.655 12.455 -3.912 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -2.657 12.395 -2.476 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -0.411 11.816 -1.243 1.00 0.00 H new ATOM 0 HG3 GLU A 49 0.347 12.473 -2.680 1.00 0.00 H new ATOM 725 N PRO A 50 -0.273 10.054 -4.918 1.00 0.00 N ATOM 726 CA PRO A 50 0.957 9.561 -5.540 1.00 0.00 C ATOM 727 C PRO A 50 2.187 10.158 -4.869 1.00 0.00 C ATOM 728 O PRO A 50 2.276 11.373 -4.682 1.00 0.00 O ATOM 729 CB PRO A 50 0.850 10.032 -6.989 1.00 0.00 C ATOM 730 CG PRO A 50 -0.608 10.210 -7.221 1.00 0.00 C ATOM 731 CD PRO A 50 -1.180 10.661 -5.908 1.00 0.00 C ATOM 0 HA PRO A 50 1.064 8.480 -5.453 1.00 0.00 H new ATOM 0 HB2 PRO A 50 1.392 10.965 -7.143 1.00 0.00 H new ATOM 0 HB3 PRO A 50 1.274 9.299 -7.676 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -0.792 10.948 -8.002 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -1.068 9.278 -7.548 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -1.194 11.748 -5.827 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -2.206 10.318 -5.777 1.00 0.00 H new ATOM 739 N GLY A 51 3.123 9.304 -4.502 1.00 0.00 N ATOM 740 CA GLY A 51 4.321 9.764 -3.834 1.00 0.00 C ATOM 741 C GLY A 51 4.340 9.343 -2.382 1.00 0.00 C ATOM 742 O GLY A 51 5.367 9.434 -1.711 1.00 0.00 O ATOM 0 H GLY A 51 3.077 8.296 -4.654 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.199 9.364 -4.342 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.382 10.850 -3.900 1.00 0.00 H new ATOM 746 N ASP A 52 3.189 8.901 -1.890 1.00 0.00 N ATOM 747 CA ASP A 52 3.076 8.443 -0.512 1.00 0.00 C ATOM 748 C ASP A 52 3.829 7.130 -0.352 1.00 0.00 C ATOM 749 O ASP A 52 3.724 6.243 -1.199 1.00 0.00 O ATOM 750 CB ASP A 52 1.608 8.248 -0.111 1.00 0.00 C ATOM 751 CG ASP A 52 0.880 9.554 0.168 1.00 0.00 C ATOM 752 OD1 ASP A 52 1.527 10.621 0.193 1.00 0.00 O ATOM 753 OD2 ASP A 52 -0.353 9.521 0.365 1.00 0.00 O ATOM 0 H ASP A 52 2.322 8.850 -2.425 1.00 0.00 H new ATOM 0 HA ASP A 52 3.508 9.202 0.140 1.00 0.00 H new ATOM 0 HB2 ASP A 52 1.089 7.714 -0.907 1.00 0.00 H new ATOM 0 HB3 ASP A 52 1.562 7.618 0.777 1.00 0.00 H new ATOM 758 N MET A 53 4.604 7.011 0.710 1.00 0.00 N ATOM 759 CA MET A 53 5.370 5.796 0.950 1.00 0.00 C ATOM 760 C MET A 53 4.630 4.874 1.912 1.00 0.00 C ATOM 761 O MET A 53 4.178 5.306 2.968 1.00 0.00 O ATOM 762 CB MET A 53 6.751 6.142 1.506 1.00 0.00 C ATOM 763 CG MET A 53 7.635 4.928 1.745 1.00 0.00 C ATOM 764 SD MET A 53 9.302 5.377 2.266 1.00 0.00 S ATOM 765 CE MET A 53 9.922 3.781 2.812 1.00 0.00 C ATOM 0 H MET A 53 4.721 7.735 1.419 1.00 0.00 H new ATOM 0 HA MET A 53 5.493 5.275 0.001 1.00 0.00 H new ATOM 0 HB2 MET A 53 7.254 6.816 0.812 1.00 0.00 H new ATOM 0 HB3 MET A 53 6.630 6.683 2.445 1.00 0.00 H new ATOM 0 HG2 MET A 53 7.179 4.295 2.506 1.00 0.00 H new ATOM 0 HG3 MET A 53 7.691 4.338 0.830 1.00 0.00 H new ATOM 0 HE1 MET A 53 10.988 3.711 2.594 1.00 0.00 H new ATOM 0 HE2 MET A 53 9.764 3.677 3.885 1.00 0.00 H new ATOM 0 HE3 MET A 53 9.391 2.986 2.288 1.00 0.00 H new ATOM 775 N LEU A 54 4.501 3.608 1.544 1.00 0.00 N ATOM 776 CA LEU A 54 3.818 2.639 2.392 1.00 0.00 C ATOM 777 C LEU A 54 4.803 2.017 3.370 1.00 0.00 C ATOM 778 O LEU A 54 5.844 1.496 2.964 1.00 0.00 O ATOM 779 CB LEU A 54 3.156 1.550 1.545 1.00 0.00 C ATOM 780 CG LEU A 54 1.815 1.932 0.916 1.00 0.00 C ATOM 781 CD1 LEU A 54 1.344 0.836 -0.031 1.00 0.00 C ATOM 782 CD2 LEU A 54 0.768 2.188 1.991 1.00 0.00 C ATOM 0 H LEU A 54 4.858 3.227 0.668 1.00 0.00 H new ATOM 0 HA LEU A 54 3.040 3.158 2.952 1.00 0.00 H new ATOM 0 HB2 LEU A 54 3.843 1.265 0.749 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.007 0.668 2.169 1.00 0.00 H new ATOM 0 HG LEU A 54 1.953 2.851 0.347 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.389 1.121 -0.471 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.081 0.697 -0.822 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.225 -0.096 0.522 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.178 2.458 1.521 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.632 1.286 2.588 1.00 0.00 H new ATOM 0 HD23 LEU A 54 1.099 3.003 2.635 1.00 0.00 H new ATOM 794 N LEU A 55 4.481 2.089 4.651 1.00 0.00 N ATOM 795 CA LEU A 55 5.349 1.530 5.679 1.00 0.00 C ATOM 796 C LEU A 55 4.806 0.204 6.193 1.00 0.00 C ATOM 797 O LEU A 55 5.358 -0.860 5.915 1.00 0.00 O ATOM 798 CB LEU A 55 5.493 2.510 6.848 1.00 0.00 C ATOM 799 CG LEU A 55 6.023 3.898 6.492 1.00 0.00 C ATOM 800 CD1 LEU A 55 6.165 4.740 7.749 1.00 0.00 C ATOM 801 CD2 LEU A 55 7.355 3.796 5.766 1.00 0.00 C ATOM 0 H LEU A 55 3.630 2.526 5.005 1.00 0.00 H new ATOM 0 HA LEU A 55 6.327 1.357 5.229 1.00 0.00 H new ATOM 0 HB2 LEU A 55 4.519 2.625 7.323 1.00 0.00 H new ATOM 0 HB3 LEU A 55 6.159 2.067 7.589 1.00 0.00 H new ATOM 0 HG LEU A 55 5.310 4.381 5.824 1.00 0.00 H new ATOM 0 HD11 LEU A 55 6.543 5.727 7.485 1.00 0.00 H new ATOM 0 HD12 LEU A 55 5.193 4.841 8.231 1.00 0.00 H new ATOM 0 HD13 LEU A 55 6.861 4.256 8.434 1.00 0.00 H new ATOM 0 HD21 LEU A 55 7.714 4.796 5.522 1.00 0.00 H new ATOM 0 HD22 LEU A 55 8.081 3.296 6.407 1.00 0.00 H new ATOM 0 HD23 LEU A 55 7.226 3.223 4.848 1.00 0.00 H new ATOM 813 N GLN A 56 3.717 0.281 6.940 1.00 0.00 N ATOM 814 CA GLN A 56 3.093 -0.896 7.519 1.00 0.00 C ATOM 815 C GLN A 56 1.736 -1.152 6.877 1.00 0.00 C ATOM 816 O GLN A 56 0.913 -0.241 6.746 1.00 0.00 O ATOM 817 CB GLN A 56 2.945 -0.705 9.030 1.00 0.00 C ATOM 818 CG GLN A 56 2.188 -1.819 9.726 1.00 0.00 C ATOM 819 CD GLN A 56 1.876 -1.500 11.176 1.00 0.00 C ATOM 820 OE1 GLN A 56 0.851 -1.926 11.706 1.00 0.00 O ATOM 821 NE2 GLN A 56 2.751 -0.747 11.826 1.00 0.00 N ATOM 0 H GLN A 56 3.243 1.157 7.161 1.00 0.00 H new ATOM 0 HA GLN A 56 3.725 -1.764 7.330 1.00 0.00 H new ATOM 0 HB2 GLN A 56 3.937 -0.623 9.473 1.00 0.00 H new ATOM 0 HB3 GLN A 56 2.433 0.239 9.217 1.00 0.00 H new ATOM 0 HG2 GLN A 56 1.257 -2.009 9.192 1.00 0.00 H new ATOM 0 HG3 GLN A 56 2.775 -2.736 9.679 1.00 0.00 H new ATOM 0 HE21 GLN A 56 3.589 -0.413 11.350 1.00 0.00 H new ATOM 0 HE22 GLN A 56 2.586 -0.501 12.802 1.00 0.00 H new ATOM 830 N VAL A 57 1.519 -2.389 6.468 1.00 0.00 N ATOM 831 CA VAL A 57 0.271 -2.786 5.845 1.00 0.00 C ATOM 832 C VAL A 57 -0.351 -3.928 6.632 1.00 0.00 C ATOM 833 O VAL A 57 0.103 -5.066 6.543 1.00 0.00 O ATOM 834 CB VAL A 57 0.472 -3.224 4.378 1.00 0.00 C ATOM 835 CG1 VAL A 57 -0.824 -3.766 3.792 1.00 0.00 C ATOM 836 CG2 VAL A 57 0.998 -2.066 3.541 1.00 0.00 C ATOM 0 H VAL A 57 2.200 -3.143 6.558 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.391 -1.920 5.848 1.00 0.00 H new ATOM 0 HB VAL A 57 1.212 -4.024 4.360 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -0.657 -4.068 2.758 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -1.154 -4.627 4.373 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.590 -2.991 3.825 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.133 -2.394 2.510 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.284 -1.243 3.569 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.954 -1.731 3.944 1.00 0.00 H new ATOM 846 N ASN A 58 -1.374 -3.604 7.413 1.00 0.00 N ATOM 847 CA ASN A 58 -2.074 -4.591 8.236 1.00 0.00 C ATOM 848 C ASN A 58 -1.112 -5.339 9.158 1.00 0.00 C ATOM 849 O ASN A 58 -0.812 -6.517 8.939 1.00 0.00 O ATOM 850 CB ASN A 58 -2.849 -5.585 7.362 1.00 0.00 C ATOM 851 CG ASN A 58 -4.244 -5.097 7.020 1.00 0.00 C ATOM 852 OD1 ASN A 58 -4.426 -4.270 6.129 1.00 0.00 O ATOM 853 ND2 ASN A 58 -5.245 -5.606 7.725 1.00 0.00 N ATOM 0 H ASN A 58 -1.743 -2.657 7.496 1.00 0.00 H new ATOM 0 HA ASN A 58 -2.783 -4.046 8.859 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -2.294 -5.762 6.441 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -2.920 -6.541 7.881 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -6.203 -5.313 7.535 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -5.057 -6.291 8.457 1.00 0.00 H new ATOM 860 N ASP A 59 -0.612 -4.621 10.166 1.00 0.00 N ATOM 861 CA ASP A 59 0.304 -5.162 11.185 1.00 0.00 C ATOM 862 C ASP A 59 1.737 -5.327 10.674 1.00 0.00 C ATOM 863 O ASP A 59 2.678 -4.862 11.316 1.00 0.00 O ATOM 864 CB ASP A 59 -0.197 -6.503 11.745 1.00 0.00 C ATOM 865 CG ASP A 59 -1.576 -6.415 12.368 1.00 0.00 C ATOM 866 OD1 ASP A 59 -1.844 -5.451 13.118 1.00 0.00 O ATOM 867 OD2 ASP A 59 -2.402 -7.315 12.111 1.00 0.00 O ATOM 0 H ASP A 59 -0.832 -3.634 10.303 1.00 0.00 H new ATOM 0 HA ASP A 59 0.318 -4.421 11.984 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -0.215 -7.240 10.942 1.00 0.00 H new ATOM 0 HB3 ASP A 59 0.510 -6.863 12.493 1.00 0.00 H new ATOM 872 N VAL A 60 1.903 -5.976 9.523 1.00 0.00 N ATOM 873 CA VAL A 60 3.239 -6.212 8.962 1.00 0.00 C ATOM 874 C VAL A 60 3.896 -4.919 8.491 1.00 0.00 C ATOM 875 O VAL A 60 3.316 -4.158 7.717 1.00 0.00 O ATOM 876 CB VAL A 60 3.230 -7.216 7.786 1.00 0.00 C ATOM 877 CG1 VAL A 60 3.946 -8.498 8.180 1.00 0.00 C ATOM 878 CG2 VAL A 60 1.815 -7.520 7.327 1.00 0.00 C ATOM 0 H VAL A 60 1.137 -6.347 8.961 1.00 0.00 H new ATOM 0 HA VAL A 60 3.817 -6.640 9.781 1.00 0.00 H new ATOM 0 HB VAL A 60 3.760 -6.757 6.951 1.00 0.00 H new ATOM 0 HG11 VAL A 60 3.932 -9.195 7.342 1.00 0.00 H new ATOM 0 HG12 VAL A 60 4.979 -8.271 8.446 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.442 -8.948 9.035 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.845 -8.229 6.499 1.00 0.00 H new ATOM 0 HG22 VAL A 60 1.249 -7.951 8.153 1.00 0.00 H new ATOM 0 HG23 VAL A 60 1.333 -6.599 6.998 1.00 0.00 H new ATOM 888 N ASN A 61 5.111 -4.684 8.970 1.00 0.00 N ATOM 889 CA ASN A 61 5.877 -3.499 8.608 1.00 0.00 C ATOM 890 C ASN A 61 6.890 -3.853 7.524 1.00 0.00 C ATOM 891 O ASN A 61 7.645 -4.815 7.666 1.00 0.00 O ATOM 892 CB ASN A 61 6.587 -2.932 9.838 1.00 0.00 C ATOM 893 CG ASN A 61 7.132 -1.544 9.592 1.00 0.00 C ATOM 894 OD1 ASN A 61 6.605 -0.797 8.772 1.00 0.00 O ATOM 895 ND2 ASN A 61 8.189 -1.183 10.299 1.00 0.00 N ATOM 0 H ASN A 61 5.592 -5.308 9.618 1.00 0.00 H new ATOM 0 HA ASN A 61 5.198 -2.739 8.222 1.00 0.00 H new ATOM 0 HB2 ASN A 61 5.891 -2.904 10.677 1.00 0.00 H new ATOM 0 HB3 ASN A 61 7.403 -3.596 10.123 1.00 0.00 H new ATOM 0 HD21 ASN A 61 8.595 -0.256 10.173 1.00 0.00 H new ATOM 0 HD22 ASN A 61 8.599 -1.832 10.971 1.00 0.00 H new ATOM 902 N PHE A 62 6.910 -3.078 6.448 1.00 0.00 N ATOM 903 CA PHE A 62 7.811 -3.347 5.333 1.00 0.00 C ATOM 904 C PHE A 62 9.023 -2.418 5.334 1.00 0.00 C ATOM 905 O PHE A 62 9.746 -2.340 4.343 1.00 0.00 O ATOM 906 CB PHE A 62 7.060 -3.217 4.003 1.00 0.00 C ATOM 907 CG PHE A 62 5.858 -4.116 3.891 1.00 0.00 C ATOM 908 CD1 PHE A 62 5.886 -5.403 4.397 1.00 0.00 C ATOM 909 CD2 PHE A 62 4.698 -3.665 3.283 1.00 0.00 C ATOM 910 CE1 PHE A 62 4.782 -6.227 4.297 1.00 0.00 C ATOM 911 CE2 PHE A 62 3.590 -4.483 3.179 1.00 0.00 C ATOM 912 CZ PHE A 62 3.631 -5.766 3.689 1.00 0.00 C ATOM 0 H PHE A 62 6.314 -2.259 6.323 1.00 0.00 H new ATOM 0 HA PHE A 62 8.176 -4.367 5.452 1.00 0.00 H new ATOM 0 HB2 PHE A 62 6.741 -2.182 3.877 1.00 0.00 H new ATOM 0 HB3 PHE A 62 7.746 -3.441 3.186 1.00 0.00 H new ATOM 0 HD1 PHE A 62 6.782 -5.768 4.876 1.00 0.00 H new ATOM 0 HD2 PHE A 62 4.659 -2.662 2.885 1.00 0.00 H new ATOM 0 HE1 PHE A 62 4.819 -7.231 4.694 1.00 0.00 H new ATOM 0 HE2 PHE A 62 2.693 -4.120 2.700 1.00 0.00 H new ATOM 0 HZ PHE A 62 2.765 -6.407 3.612 1.00 0.00 H new ATOM 922 N GLU A 63 9.262 -1.738 6.447 1.00 0.00 N ATOM 923 CA GLU A 63 10.399 -0.824 6.545 1.00 0.00 C ATOM 924 C GLU A 63 11.728 -1.579 6.572 1.00 0.00 C ATOM 925 O GLU A 63 12.788 -0.988 6.379 1.00 0.00 O ATOM 926 CB GLU A 63 10.278 0.051 7.788 1.00 0.00 C ATOM 927 CG GLU A 63 9.227 1.139 7.665 1.00 0.00 C ATOM 928 CD GLU A 63 9.123 1.990 8.911 1.00 0.00 C ATOM 929 OE1 GLU A 63 8.959 1.425 10.013 1.00 0.00 O ATOM 930 OE2 GLU A 63 9.198 3.228 8.799 1.00 0.00 O ATOM 0 H GLU A 63 8.691 -1.799 7.290 1.00 0.00 H new ATOM 0 HA GLU A 63 10.385 -0.192 5.657 1.00 0.00 H new ATOM 0 HB2 GLU A 63 10.038 -0.580 8.644 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.244 0.512 7.993 1.00 0.00 H new ATOM 0 HG2 GLU A 63 9.466 1.776 6.813 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.259 0.682 7.459 1.00 0.00 H new ATOM 937 N ASN A 64 11.673 -2.880 6.812 1.00 0.00 N ATOM 938 CA ASN A 64 12.887 -3.692 6.856 1.00 0.00 C ATOM 939 C ASN A 64 12.835 -4.800 5.815 1.00 0.00 C ATOM 940 O ASN A 64 13.583 -5.773 5.890 1.00 0.00 O ATOM 941 CB ASN A 64 13.086 -4.295 8.251 1.00 0.00 C ATOM 942 CG ASN A 64 13.792 -3.349 9.206 1.00 0.00 C ATOM 943 OD1 ASN A 64 14.493 -2.426 8.786 1.00 0.00 O ATOM 944 ND2 ASN A 64 13.618 -3.566 10.499 1.00 0.00 N ATOM 0 H ASN A 64 10.809 -3.396 6.979 1.00 0.00 H new ATOM 0 HA ASN A 64 13.732 -3.041 6.631 1.00 0.00 H new ATOM 0 HB2 ASN A 64 12.115 -4.566 8.667 1.00 0.00 H new ATOM 0 HB3 ASN A 64 13.664 -5.215 8.165 1.00 0.00 H new ATOM 0 HD21 ASN A 64 14.071 -2.960 11.183 1.00 0.00 H new ATOM 0 HD22 ASN A 64 13.031 -4.339 10.812 1.00 0.00 H new ATOM 951 N MET A 65 11.951 -4.650 4.841 1.00 0.00 N ATOM 952 CA MET A 65 11.804 -5.643 3.792 1.00 0.00 C ATOM 953 C MET A 65 12.013 -4.997 2.431 1.00 0.00 C ATOM 954 O MET A 65 11.737 -3.811 2.252 1.00 0.00 O ATOM 955 CB MET A 65 10.421 -6.303 3.865 1.00 0.00 C ATOM 956 CG MET A 65 10.165 -7.034 5.176 1.00 0.00 C ATOM 957 SD MET A 65 8.582 -7.902 5.197 1.00 0.00 S ATOM 958 CE MET A 65 9.038 -9.446 4.412 1.00 0.00 C ATOM 0 H MET A 65 11.325 -3.849 4.756 1.00 0.00 H new ATOM 0 HA MET A 65 12.559 -6.416 3.934 1.00 0.00 H new ATOM 0 HB2 MET A 65 9.655 -5.539 3.728 1.00 0.00 H new ATOM 0 HB3 MET A 65 10.319 -7.008 3.040 1.00 0.00 H new ATOM 0 HG2 MET A 65 10.969 -7.749 5.350 1.00 0.00 H new ATOM 0 HG3 MET A 65 10.192 -6.318 5.997 1.00 0.00 H new ATOM 0 HE1 MET A 65 8.200 -9.814 3.820 1.00 0.00 H new ATOM 0 HE2 MET A 65 9.898 -9.284 3.762 1.00 0.00 H new ATOM 0 HE3 MET A 65 9.293 -10.181 5.175 1.00 0.00 H new ATOM 968 N SER A 66 12.520 -5.767 1.481 1.00 0.00 N ATOM 969 CA SER A 66 12.768 -5.261 0.141 1.00 0.00 C ATOM 970 C SER A 66 11.452 -5.033 -0.603 1.00 0.00 C ATOM 971 O SER A 66 10.418 -5.600 -0.239 1.00 0.00 O ATOM 972 CB SER A 66 13.655 -6.239 -0.626 1.00 0.00 C ATOM 973 OG SER A 66 14.775 -6.625 0.155 1.00 0.00 O ATOM 0 H SER A 66 12.768 -6.747 1.614 1.00 0.00 H new ATOM 0 HA SER A 66 13.282 -4.303 0.218 1.00 0.00 H new ATOM 0 HB2 SER A 66 13.077 -7.121 -0.902 1.00 0.00 H new ATOM 0 HB3 SER A 66 13.995 -5.778 -1.553 1.00 0.00 H new ATOM 0 HG SER A 66 15.329 -7.253 -0.355 1.00 0.00 H new ATOM 979 N ASN A 67 11.509 -4.213 -1.650 1.00 0.00 N ATOM 980 CA ASN A 67 10.335 -3.881 -2.466 1.00 0.00 C ATOM 981 C ASN A 67 9.619 -5.141 -2.943 1.00 0.00 C ATOM 982 O ASN A 67 8.390 -5.233 -2.886 1.00 0.00 O ATOM 983 CB ASN A 67 10.750 -3.049 -3.689 1.00 0.00 C ATOM 984 CG ASN A 67 11.680 -1.894 -3.355 1.00 0.00 C ATOM 985 OD1 ASN A 67 11.569 -1.267 -2.300 1.00 0.00 O ATOM 986 ND2 ASN A 67 12.608 -1.607 -4.255 1.00 0.00 N ATOM 0 H ASN A 67 12.368 -3.758 -1.960 1.00 0.00 H new ATOM 0 HA ASN A 67 9.655 -3.303 -1.840 1.00 0.00 H new ATOM 0 HB2 ASN A 67 11.240 -3.701 -4.412 1.00 0.00 H new ATOM 0 HB3 ASN A 67 9.855 -2.656 -4.171 1.00 0.00 H new ATOM 0 HD21 ASN A 67 13.263 -0.843 -4.087 1.00 0.00 H new ATOM 0 HD22 ASN A 67 12.668 -2.150 -5.117 1.00 0.00 H new ATOM 993 N ASP A 68 10.405 -6.110 -3.403 1.00 0.00 N ATOM 994 CA ASP A 68 9.877 -7.376 -3.904 1.00 0.00 C ATOM 995 C ASP A 68 9.017 -8.065 -2.856 1.00 0.00 C ATOM 996 O ASP A 68 7.907 -8.512 -3.144 1.00 0.00 O ATOM 997 CB ASP A 68 11.021 -8.312 -4.312 1.00 0.00 C ATOM 998 CG ASP A 68 11.553 -8.031 -5.704 1.00 0.00 C ATOM 999 OD1 ASP A 68 12.002 -6.895 -5.959 1.00 0.00 O ATOM 1000 OD2 ASP A 68 11.539 -8.951 -6.551 1.00 0.00 O ATOM 0 H ASP A 68 11.422 -6.041 -3.439 1.00 0.00 H new ATOM 0 HA ASP A 68 9.261 -7.153 -4.775 1.00 0.00 H new ATOM 0 HB2 ASP A 68 11.834 -8.217 -3.593 1.00 0.00 H new ATOM 0 HB3 ASP A 68 10.673 -9.344 -4.264 1.00 0.00 H new ATOM 1005 N ASP A 69 9.531 -8.126 -1.635 1.00 0.00 N ATOM 1006 CA ASP A 69 8.831 -8.781 -0.536 1.00 0.00 C ATOM 1007 C ASP A 69 7.648 -7.961 -0.062 1.00 0.00 C ATOM 1008 O ASP A 69 6.605 -8.517 0.286 1.00 0.00 O ATOM 1009 CB ASP A 69 9.778 -9.039 0.632 1.00 0.00 C ATOM 1010 CG ASP A 69 10.371 -10.429 0.592 1.00 0.00 C ATOM 1011 OD1 ASP A 69 9.698 -11.351 0.091 1.00 0.00 O ATOM 1012 OD2 ASP A 69 11.514 -10.605 1.059 1.00 0.00 O ATOM 0 H ASP A 69 10.435 -7.728 -1.379 1.00 0.00 H new ATOM 0 HA ASP A 69 8.460 -9.734 -0.913 1.00 0.00 H new ATOM 0 HB2 ASP A 69 10.582 -8.303 0.615 1.00 0.00 H new ATOM 0 HB3 ASP A 69 9.240 -8.902 1.570 1.00 0.00 H new ATOM 1017 N ALA A 70 7.810 -6.641 -0.051 1.00 0.00 N ATOM 1018 CA ALA A 70 6.746 -5.741 0.378 1.00 0.00 C ATOM 1019 C ALA A 70 5.484 -5.974 -0.442 1.00 0.00 C ATOM 1020 O ALA A 70 4.386 -6.103 0.100 1.00 0.00 O ATOM 1021 CB ALA A 70 7.197 -4.293 0.264 1.00 0.00 C ATOM 0 H ALA A 70 8.670 -6.171 -0.335 1.00 0.00 H new ATOM 0 HA ALA A 70 6.518 -5.950 1.423 1.00 0.00 H new ATOM 0 HB1 ALA A 70 6.391 -3.634 0.588 1.00 0.00 H new ATOM 0 HB2 ALA A 70 8.072 -4.134 0.895 1.00 0.00 H new ATOM 0 HB3 ALA A 70 7.452 -4.072 -0.772 1.00 0.00 H new ATOM 1027 N VAL A 71 5.653 -6.051 -1.756 1.00 0.00 N ATOM 1028 CA VAL A 71 4.531 -6.281 -2.654 1.00 0.00 C ATOM 1029 C VAL A 71 3.995 -7.706 -2.489 1.00 0.00 C ATOM 1030 O VAL A 71 2.790 -7.931 -2.572 1.00 0.00 O ATOM 1031 CB VAL A 71 4.921 -6.028 -4.130 1.00 0.00 C ATOM 1032 CG1 VAL A 71 3.758 -6.328 -5.063 1.00 0.00 C ATOM 1033 CG2 VAL A 71 5.389 -4.593 -4.324 1.00 0.00 C ATOM 0 H VAL A 71 6.555 -5.958 -2.222 1.00 0.00 H new ATOM 0 HA VAL A 71 3.747 -5.572 -2.387 1.00 0.00 H new ATOM 0 HB VAL A 71 5.742 -6.702 -4.376 1.00 0.00 H new ATOM 0 HG11 VAL A 71 4.061 -6.141 -6.093 1.00 0.00 H new ATOM 0 HG12 VAL A 71 3.464 -7.372 -4.954 1.00 0.00 H new ATOM 0 HG13 VAL A 71 2.914 -5.686 -4.811 1.00 0.00 H new ATOM 0 HG21 VAL A 71 5.658 -4.436 -5.368 1.00 0.00 H new ATOM 0 HG22 VAL A 71 4.587 -3.908 -4.050 1.00 0.00 H new ATOM 0 HG23 VAL A 71 6.258 -4.405 -3.693 1.00 0.00 H new ATOM 1043 N ARG A 72 4.896 -8.656 -2.232 1.00 0.00 N ATOM 1044 CA ARG A 72 4.511 -10.060 -2.046 1.00 0.00 C ATOM 1045 C ARG A 72 3.472 -10.198 -0.939 1.00 0.00 C ATOM 1046 O ARG A 72 2.389 -10.743 -1.155 1.00 0.00 O ATOM 1047 CB ARG A 72 5.730 -10.917 -1.696 1.00 0.00 C ATOM 1048 CG ARG A 72 6.579 -11.318 -2.889 1.00 0.00 C ATOM 1049 CD ARG A 72 7.797 -12.115 -2.451 1.00 0.00 C ATOM 1050 NE ARG A 72 8.698 -12.409 -3.562 1.00 0.00 N ATOM 1051 CZ ARG A 72 10.027 -12.342 -3.489 1.00 0.00 C ATOM 1052 NH1 ARG A 72 10.624 -12.003 -2.350 1.00 0.00 N ATOM 1053 NH2 ARG A 72 10.760 -12.622 -4.558 1.00 0.00 N ATOM 0 H ARG A 72 5.897 -8.481 -2.148 1.00 0.00 H new ATOM 0 HA ARG A 72 4.083 -10.408 -2.986 1.00 0.00 H new ATOM 0 HB2 ARG A 72 6.354 -10.369 -0.990 1.00 0.00 H new ATOM 0 HB3 ARG A 72 5.390 -11.819 -1.188 1.00 0.00 H new ATOM 0 HG2 ARG A 72 5.982 -11.912 -3.581 1.00 0.00 H new ATOM 0 HG3 ARG A 72 6.899 -10.426 -3.428 1.00 0.00 H new ATOM 0 HD2 ARG A 72 8.337 -11.557 -1.686 1.00 0.00 H new ATOM 0 HD3 ARG A 72 7.471 -13.049 -1.994 1.00 0.00 H new ATOM 0 HE ARG A 72 8.283 -12.684 -4.452 1.00 0.00 H new ATOM 0 HH11 ARG A 72 10.064 -11.792 -1.524 1.00 0.00 H new ATOM 0 HH12 ARG A 72 11.642 -11.954 -2.303 1.00 0.00 H new ATOM 0 HH21 ARG A 72 10.306 -12.887 -5.432 1.00 0.00 H new ATOM 0 HH22 ARG A 72 11.777 -12.572 -4.506 1.00 0.00 H new ATOM 1067 N VAL A 73 3.806 -9.685 0.241 1.00 0.00 N ATOM 1068 CA VAL A 73 2.907 -9.753 1.386 1.00 0.00 C ATOM 1069 C VAL A 73 1.622 -8.985 1.102 1.00 0.00 C ATOM 1070 O VAL A 73 0.525 -9.443 1.420 1.00 0.00 O ATOM 1071 CB VAL A 73 3.573 -9.191 2.662 1.00 0.00 C ATOM 1072 CG1 VAL A 73 2.651 -9.337 3.865 1.00 0.00 C ATOM 1073 CG2 VAL A 73 4.902 -9.885 2.922 1.00 0.00 C ATOM 0 H VAL A 73 4.693 -9.218 0.429 1.00 0.00 H new ATOM 0 HA VAL A 73 2.672 -10.804 1.554 1.00 0.00 H new ATOM 0 HB VAL A 73 3.762 -8.129 2.505 1.00 0.00 H new ATOM 0 HG11 VAL A 73 3.142 -8.934 4.751 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.726 -8.790 3.683 1.00 0.00 H new ATOM 0 HG13 VAL A 73 2.424 -10.391 4.024 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.356 -9.476 3.825 1.00 0.00 H new ATOM 0 HG22 VAL A 73 4.735 -10.954 3.053 1.00 0.00 H new ATOM 0 HG23 VAL A 73 5.569 -9.723 2.075 1.00 0.00 H new ATOM 1083 N LEU A 74 1.767 -7.822 0.478 1.00 0.00 N ATOM 1084 CA LEU A 74 0.624 -6.984 0.140 1.00 0.00 C ATOM 1085 C LEU A 74 -0.354 -7.729 -0.767 1.00 0.00 C ATOM 1086 O LEU A 74 -1.562 -7.683 -0.551 1.00 0.00 O ATOM 1087 CB LEU A 74 1.093 -5.692 -0.535 1.00 0.00 C ATOM 1088 CG LEU A 74 -0.021 -4.740 -0.979 1.00 0.00 C ATOM 1089 CD1 LEU A 74 -0.741 -4.145 0.222 1.00 0.00 C ATOM 1090 CD2 LEU A 74 0.546 -3.639 -1.857 1.00 0.00 C ATOM 0 H LEU A 74 2.668 -7.437 0.195 1.00 0.00 H new ATOM 0 HA LEU A 74 0.105 -6.732 1.065 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.749 -5.160 0.154 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.692 -5.955 -1.407 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.746 -5.312 -1.558 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -1.527 -3.473 -0.121 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -1.182 -4.946 0.815 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -0.030 -3.589 0.834 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -0.257 -2.970 -2.165 1.00 0.00 H new ATOM 0 HD22 LEU A 74 1.293 -3.076 -1.298 1.00 0.00 H new ATOM 0 HD23 LEU A 74 1.010 -4.080 -2.739 1.00 0.00 H new ATOM 1102 N ARG A 75 0.175 -8.430 -1.762 1.00 0.00 N ATOM 1103 CA ARG A 75 -0.658 -9.180 -2.701 1.00 0.00 C ATOM 1104 C ARG A 75 -1.493 -10.220 -1.973 1.00 0.00 C ATOM 1105 O ARG A 75 -2.648 -10.460 -2.325 1.00 0.00 O ATOM 1106 CB ARG A 75 0.200 -9.853 -3.773 1.00 0.00 C ATOM 1107 CG ARG A 75 0.846 -8.870 -4.732 1.00 0.00 C ATOM 1108 CD ARG A 75 1.654 -9.574 -5.806 1.00 0.00 C ATOM 1109 NE ARG A 75 0.799 -10.171 -6.830 1.00 0.00 N ATOM 1110 CZ ARG A 75 0.722 -9.745 -8.093 1.00 0.00 C ATOM 1111 NH1 ARG A 75 1.498 -8.752 -8.524 1.00 0.00 N ATOM 1112 NH2 ARG A 75 -0.128 -10.328 -8.932 1.00 0.00 N ATOM 0 H ARG A 75 1.177 -8.496 -1.942 1.00 0.00 H new ATOM 0 HA ARG A 75 -1.330 -8.473 -3.187 1.00 0.00 H new ATOM 0 HB2 ARG A 75 0.979 -10.441 -3.288 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -0.419 -10.549 -4.340 1.00 0.00 H new ATOM 0 HG2 ARG A 75 0.074 -8.259 -5.200 1.00 0.00 H new ATOM 0 HG3 ARG A 75 1.494 -8.193 -4.176 1.00 0.00 H new ATOM 0 HD2 ARG A 75 2.335 -8.862 -6.272 1.00 0.00 H new ATOM 0 HD3 ARG A 75 2.268 -10.350 -5.348 1.00 0.00 H new ATOM 0 HE ARG A 75 0.222 -10.968 -6.561 1.00 0.00 H new ATOM 0 HH11 ARG A 75 2.160 -8.309 -7.887 1.00 0.00 H new ATOM 0 HH12 ARG A 75 1.430 -8.435 -9.491 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -0.717 -11.096 -8.610 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -0.192 -10.007 -9.898 1.00 0.00 H new ATOM 1126 N GLU A 76 -0.909 -10.824 -0.952 1.00 0.00 N ATOM 1127 CA GLU A 76 -1.604 -11.834 -0.171 1.00 0.00 C ATOM 1128 C GLU A 76 -2.712 -11.204 0.670 1.00 0.00 C ATOM 1129 O GLU A 76 -3.800 -11.766 0.797 1.00 0.00 O ATOM 1130 CB GLU A 76 -0.620 -12.583 0.722 1.00 0.00 C ATOM 1131 CG GLU A 76 0.152 -13.658 -0.017 1.00 0.00 C ATOM 1132 CD GLU A 76 -0.767 -14.636 -0.718 1.00 0.00 C ATOM 1133 OE1 GLU A 76 -1.449 -15.416 -0.023 1.00 0.00 O ATOM 1134 OE2 GLU A 76 -0.826 -14.624 -1.967 1.00 0.00 O ATOM 0 H GLU A 76 0.045 -10.633 -0.644 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.062 -12.543 -0.860 1.00 0.00 H new ATOM 0 HB2 GLU A 76 0.083 -11.871 1.155 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -1.163 -13.038 1.550 1.00 0.00 H new ATOM 0 HG2 GLU A 76 0.812 -13.192 -0.749 1.00 0.00 H new ATOM 0 HG3 GLU A 76 0.786 -14.197 0.686 1.00 0.00 H new ATOM 1141 N ILE A 77 -2.431 -10.038 1.242 1.00 0.00 N ATOM 1142 CA ILE A 77 -3.416 -9.330 2.056 1.00 0.00 C ATOM 1143 C ILE A 77 -4.545 -8.800 1.171 1.00 0.00 C ATOM 1144 O ILE A 77 -5.721 -8.886 1.520 1.00 0.00 O ATOM 1145 CB ILE A 77 -2.771 -8.154 2.826 1.00 0.00 C ATOM 1146 CG1 ILE A 77 -1.641 -8.661 3.731 1.00 0.00 C ATOM 1147 CG2 ILE A 77 -3.816 -7.410 3.645 1.00 0.00 C ATOM 1148 CD1 ILE A 77 -0.745 -7.562 4.260 1.00 0.00 C ATOM 0 H ILE A 77 -1.532 -9.563 1.158 1.00 0.00 H new ATOM 0 HA ILE A 77 -3.817 -10.038 2.781 1.00 0.00 H new ATOM 0 HB ILE A 77 -2.348 -7.460 2.100 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -2.076 -9.200 4.573 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -1.035 -9.375 3.174 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -3.341 -6.587 4.179 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -4.586 -7.016 2.981 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -4.270 -8.093 4.362 1.00 0.00 H new ATOM 0 HD11 ILE A 77 0.030 -7.997 4.892 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -0.281 -7.038 3.425 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -1.338 -6.859 4.845 1.00 0.00 H new ATOM 1160 N VAL A 78 -4.165 -8.272 0.016 1.00 0.00 N ATOM 1161 CA VAL A 78 -5.113 -7.720 -0.947 1.00 0.00 C ATOM 1162 C VAL A 78 -6.074 -8.792 -1.471 1.00 0.00 C ATOM 1163 O VAL A 78 -7.239 -8.514 -1.749 1.00 0.00 O ATOM 1164 CB VAL A 78 -4.350 -7.049 -2.120 1.00 0.00 C ATOM 1165 CG1 VAL A 78 -5.234 -6.847 -3.344 1.00 0.00 C ATOM 1166 CG2 VAL A 78 -3.770 -5.721 -1.663 1.00 0.00 C ATOM 0 H VAL A 78 -3.191 -8.213 -0.282 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.713 -6.967 -0.436 1.00 0.00 H new ATOM 0 HB VAL A 78 -3.543 -7.720 -2.416 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.655 -6.374 -4.137 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -5.603 -7.813 -3.690 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -6.078 -6.209 -3.082 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -3.235 -5.254 -2.490 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.577 -5.065 -1.336 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -3.081 -5.890 -0.835 1.00 0.00 H new ATOM 1176 N SER A 79 -5.593 -10.026 -1.565 1.00 0.00 N ATOM 1177 CA SER A 79 -6.410 -11.129 -2.054 1.00 0.00 C ATOM 1178 C SER A 79 -7.131 -11.839 -0.904 1.00 0.00 C ATOM 1179 O SER A 79 -7.590 -12.975 -1.050 1.00 0.00 O ATOM 1180 CB SER A 79 -5.534 -12.124 -2.815 1.00 0.00 C ATOM 1181 OG SER A 79 -4.700 -11.461 -3.756 1.00 0.00 O ATOM 0 H SER A 79 -4.641 -10.288 -1.309 1.00 0.00 H new ATOM 0 HA SER A 79 -7.166 -10.721 -2.725 1.00 0.00 H new ATOM 0 HB2 SER A 79 -4.918 -12.683 -2.110 1.00 0.00 H new ATOM 0 HB3 SER A 79 -6.165 -12.847 -3.331 1.00 0.00 H new ATOM 0 HG SER A 79 -3.850 -11.224 -3.330 1.00 0.00 H new ATOM 1187 N GLN A 80 -7.232 -11.167 0.235 1.00 0.00 N ATOM 1188 CA GLN A 80 -7.895 -11.737 1.400 1.00 0.00 C ATOM 1189 C GLN A 80 -9.161 -10.945 1.726 1.00 0.00 C ATOM 1190 O GLN A 80 -9.320 -9.802 1.294 1.00 0.00 O ATOM 1191 CB GLN A 80 -6.940 -11.755 2.597 1.00 0.00 C ATOM 1192 CG GLN A 80 -6.818 -13.120 3.266 1.00 0.00 C ATOM 1193 CD GLN A 80 -6.334 -14.212 2.325 1.00 0.00 C ATOM 1194 OE1 GLN A 80 -6.724 -15.368 2.453 1.00 0.00 O ATOM 1195 NE2 GLN A 80 -5.475 -13.861 1.382 1.00 0.00 N ATOM 0 H GLN A 80 -6.863 -10.227 0.377 1.00 0.00 H new ATOM 0 HA GLN A 80 -8.182 -12.765 1.177 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -5.952 -11.433 2.267 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -7.282 -11.029 3.334 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -6.129 -13.044 4.107 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -7.788 -13.405 3.673 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -5.172 -12.890 1.304 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -5.116 -14.561 0.733 1.00 0.00 H new ATOM 1204 N THR A 81 -10.058 -11.557 2.483 1.00 0.00 N ATOM 1205 CA THR A 81 -11.313 -10.922 2.847 1.00 0.00 C ATOM 1206 C THR A 81 -11.261 -10.357 4.268 1.00 0.00 C ATOM 1207 O THR A 81 -11.430 -11.087 5.246 1.00 0.00 O ATOM 1208 CB THR A 81 -12.471 -11.930 2.738 1.00 0.00 C ATOM 1209 OG1 THR A 81 -12.087 -13.021 1.884 1.00 0.00 O ATOM 1210 CG2 THR A 81 -13.718 -11.261 2.180 1.00 0.00 C ATOM 0 H THR A 81 -9.938 -12.498 2.859 1.00 0.00 H new ATOM 0 HA THR A 81 -11.479 -10.097 2.154 1.00 0.00 H new ATOM 0 HB THR A 81 -12.695 -12.307 3.736 1.00 0.00 H new ATOM 0 HG1 THR A 81 -12.826 -13.661 1.819 1.00 0.00 H new ATOM 0 HG21 THR A 81 -14.524 -11.992 2.112 1.00 0.00 H new ATOM 0 HG22 THR A 81 -14.021 -10.448 2.840 1.00 0.00 H new ATOM 0 HG23 THR A 81 -13.504 -10.863 1.188 1.00 0.00 H new ATOM 1218 N GLY A 82 -11.008 -9.061 4.376 1.00 0.00 N ATOM 1219 CA GLY A 82 -10.948 -8.422 5.673 1.00 0.00 C ATOM 1220 C GLY A 82 -10.614 -6.948 5.561 1.00 0.00 C ATOM 1221 O GLY A 82 -10.266 -6.479 4.475 1.00 0.00 O ATOM 0 H GLY A 82 -10.843 -8.439 3.585 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -11.905 -8.540 6.181 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -10.198 -8.919 6.288 1.00 0.00 H new ATOM 1225 N PRO A 83 -10.737 -6.188 6.661 1.00 0.00 N ATOM 1226 CA PRO A 83 -10.427 -4.758 6.672 1.00 0.00 C ATOM 1227 C PRO A 83 -8.938 -4.495 6.462 1.00 0.00 C ATOM 1228 O PRO A 83 -8.087 -5.045 7.167 1.00 0.00 O ATOM 1229 CB PRO A 83 -10.865 -4.297 8.067 1.00 0.00 C ATOM 1230 CG PRO A 83 -10.858 -5.530 8.902 1.00 0.00 C ATOM 1231 CD PRO A 83 -11.205 -6.662 7.976 1.00 0.00 C ATOM 0 HA PRO A 83 -10.931 -4.226 5.865 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -10.183 -3.546 8.466 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -11.856 -3.845 8.040 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -9.881 -5.686 9.359 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -11.581 -5.455 9.714 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -10.708 -7.587 8.269 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -12.276 -6.863 7.972 1.00 0.00 H new ATOM 1239 N ILE A 84 -8.636 -3.656 5.483 1.00 0.00 N ATOM 1240 CA ILE A 84 -7.259 -3.315 5.164 1.00 0.00 C ATOM 1241 C ILE A 84 -6.917 -1.920 5.685 1.00 0.00 C ATOM 1242 O ILE A 84 -7.658 -0.963 5.455 1.00 0.00 O ATOM 1243 CB ILE A 84 -7.009 -3.387 3.635 1.00 0.00 C ATOM 1244 CG1 ILE A 84 -7.097 -4.841 3.159 1.00 0.00 C ATOM 1245 CG2 ILE A 84 -5.656 -2.786 3.274 1.00 0.00 C ATOM 1246 CD1 ILE A 84 -6.999 -4.995 1.658 1.00 0.00 C ATOM 0 H ILE A 84 -9.330 -3.197 4.893 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.612 -4.043 5.654 1.00 0.00 H new ATOM 0 HB ILE A 84 -7.779 -2.803 3.131 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -6.299 -5.417 3.628 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -8.040 -5.269 3.499 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -5.506 -2.849 2.196 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -5.628 -1.741 3.584 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -4.866 -3.337 3.783 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -7.069 -6.051 1.395 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -7.813 -4.448 1.182 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -6.044 -4.598 1.313 1.00 0.00 H new ATOM 1258 N SER A 85 -5.812 -1.818 6.409 1.00 0.00 N ATOM 1259 CA SER A 85 -5.364 -0.548 6.956 1.00 0.00 C ATOM 1260 C SER A 85 -3.935 -0.266 6.509 1.00 0.00 C ATOM 1261 O SER A 85 -3.037 -1.087 6.705 1.00 0.00 O ATOM 1262 CB SER A 85 -5.467 -0.565 8.479 1.00 0.00 C ATOM 1263 OG SER A 85 -6.793 -0.870 8.892 1.00 0.00 O ATOM 0 H SER A 85 -5.206 -2.607 6.632 1.00 0.00 H new ATOM 0 HA SER A 85 -6.005 0.250 6.582 1.00 0.00 H new ATOM 0 HB2 SER A 85 -4.776 -1.303 8.887 1.00 0.00 H new ATOM 0 HB3 SER A 85 -5.171 0.405 8.879 1.00 0.00 H new ATOM 0 HG SER A 85 -6.837 -0.877 9.871 1.00 0.00 H new ATOM 1269 N LEU A 86 -3.728 0.901 5.909 1.00 0.00 N ATOM 1270 CA LEU A 86 -2.416 1.277 5.405 1.00 0.00 C ATOM 1271 C LEU A 86 -1.863 2.487 6.141 1.00 0.00 C ATOM 1272 O LEU A 86 -2.610 3.379 6.547 1.00 0.00 O ATOM 1273 CB LEU A 86 -2.495 1.604 3.906 1.00 0.00 C ATOM 1274 CG LEU A 86 -3.248 0.588 3.046 1.00 0.00 C ATOM 1275 CD1 LEU A 86 -3.514 1.157 1.661 1.00 0.00 C ATOM 1276 CD2 LEU A 86 -2.462 -0.707 2.938 1.00 0.00 C ATOM 0 H LEU A 86 -4.454 1.602 5.761 1.00 0.00 H new ATOM 0 HA LEU A 86 -1.750 0.430 5.569 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -2.973 2.577 3.789 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -1.480 1.699 3.519 1.00 0.00 H new ATOM 0 HG LEU A 86 -4.203 0.375 3.526 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -4.051 0.421 1.062 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -4.116 2.062 1.749 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -2.567 1.397 1.178 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -3.014 -1.417 2.322 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -1.493 -0.507 2.481 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -2.314 -1.127 3.933 1.00 0.00 H new ATOM 1288 N THR A 87 -0.552 2.502 6.318 1.00 0.00 N ATOM 1289 CA THR A 87 0.122 3.617 6.963 1.00 0.00 C ATOM 1290 C THR A 87 1.015 4.306 5.937 1.00 0.00 C ATOM 1291 O THR A 87 2.059 3.773 5.551 1.00 0.00 O ATOM 1292 CB THR A 87 0.961 3.163 8.178 1.00 0.00 C ATOM 1293 OG1 THR A 87 1.805 2.064 7.820 1.00 0.00 O ATOM 1294 CG2 THR A 87 0.065 2.752 9.334 1.00 0.00 C ATOM 0 H THR A 87 0.070 1.750 6.022 1.00 0.00 H new ATOM 0 HA THR A 87 -0.633 4.308 7.338 1.00 0.00 H new ATOM 0 HB THR A 87 1.576 4.007 8.490 1.00 0.00 H new ATOM 0 HG1 THR A 87 1.252 1.294 7.572 1.00 0.00 H new ATOM 0 HG21 THR A 87 0.680 2.437 10.177 1.00 0.00 H new ATOM 0 HG22 THR A 87 -0.554 3.598 9.633 1.00 0.00 H new ATOM 0 HG23 THR A 87 -0.575 1.926 9.023 1.00 0.00 H new ATOM 1302 N VAL A 88 0.588 5.467 5.469 1.00 0.00 N ATOM 1303 CA VAL A 88 1.345 6.194 4.462 1.00 0.00 C ATOM 1304 C VAL A 88 2.246 7.256 5.079 1.00 0.00 C ATOM 1305 O VAL A 88 1.805 8.085 5.875 1.00 0.00 O ATOM 1306 CB VAL A 88 0.420 6.849 3.412 1.00 0.00 C ATOM 1307 CG1 VAL A 88 -0.174 5.793 2.495 1.00 0.00 C ATOM 1308 CG2 VAL A 88 -0.687 7.653 4.080 1.00 0.00 C ATOM 0 H VAL A 88 -0.273 5.925 5.767 1.00 0.00 H new ATOM 0 HA VAL A 88 1.973 5.455 3.965 1.00 0.00 H new ATOM 0 HB VAL A 88 1.022 7.534 2.815 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -0.823 6.271 1.761 1.00 0.00 H new ATOM 0 HG12 VAL A 88 0.629 5.265 1.980 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -0.754 5.084 3.085 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -1.322 8.102 3.316 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -1.286 6.995 4.709 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -0.246 8.439 4.694 1.00 0.00 H new ATOM 1318 N ALA A 89 3.517 7.203 4.718 1.00 0.00 N ATOM 1319 CA ALA A 89 4.496 8.162 5.190 1.00 0.00 C ATOM 1320 C ALA A 89 4.610 9.287 4.178 1.00 0.00 C ATOM 1321 O ALA A 89 5.325 9.175 3.178 1.00 0.00 O ATOM 1322 CB ALA A 89 5.842 7.491 5.398 1.00 0.00 C ATOM 0 H ALA A 89 3.897 6.494 4.090 1.00 0.00 H new ATOM 0 HA ALA A 89 4.175 8.568 6.149 1.00 0.00 H new ATOM 0 HB1 ALA A 89 6.564 8.226 5.752 1.00 0.00 H new ATOM 0 HB2 ALA A 89 5.742 6.696 6.137 1.00 0.00 H new ATOM 0 HB3 ALA A 89 6.188 7.069 4.455 1.00 0.00 H new ATOM 1328 N LYS A 90 3.871 10.347 4.422 1.00 0.00 N ATOM 1329 CA LYS A 90 3.856 11.490 3.532 1.00 0.00 C ATOM 1330 C LYS A 90 4.863 12.529 3.991 1.00 0.00 C ATOM 1331 O LYS A 90 5.160 12.575 5.201 1.00 0.00 O ATOM 1332 CB LYS A 90 2.454 12.087 3.485 1.00 0.00 C ATOM 1333 CG LYS A 90 1.371 11.032 3.304 1.00 0.00 C ATOM 1334 CD LYS A 90 -0.008 11.558 3.662 1.00 0.00 C ATOM 1335 CE LYS A 90 -0.492 12.591 2.660 1.00 0.00 C ATOM 1336 NZ LYS A 90 -0.823 11.990 1.341 1.00 0.00 N ATOM 1337 OXT LYS A 90 5.362 13.294 3.144 1.00 0.00 O ATOM 0 H LYS A 90 3.266 10.442 5.238 1.00 0.00 H new ATOM 0 HA LYS A 90 4.134 11.165 2.529 1.00 0.00 H new ATOM 0 HB2 LYS A 90 2.268 12.639 4.406 1.00 0.00 H new ATOM 0 HB3 LYS A 90 2.397 12.805 2.667 1.00 0.00 H new ATOM 0 HG2 LYS A 90 1.370 10.689 2.269 1.00 0.00 H new ATOM 0 HG3 LYS A 90 1.601 10.167 3.926 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -0.715 10.729 3.701 1.00 0.00 H new ATOM 0 HD3 LYS A 90 0.019 12.001 4.658 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -1.373 13.094 3.058 1.00 0.00 H new ATOM 0 HE3 LYS A 90 0.277 13.352 2.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -0.423 12.577 0.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -0.422 11.032 1.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -1.856 11.940 1.232 1.00 0.00 H new