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 6 THR OG1 : rot -79:sc= 1.17 USER MOD Set 1.2: A 85 SER OG : rot 180:sc= 0.986 USER MOD Set 2.1: A 18 SER OG : rot 39:sc= 0.805 USER MOD Set 2.2: A 35 SER OG : rot 50:sc= 0.48 USER MOD Single : A 1 ASN : amide:sc= -0.217 K(o=-0.22,f=-0.83) USER MOD Single : A 1 ASN N :NH3+ 178:sc= 1.26 (180deg=1.16) USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.0773 USER MOD Single : A 8 ASN : amide:sc= -0.773! C(o=-0.77!,f=-5.7!) USER MOD Single : A 9 MET CE :methyl -173:sc= 0 (180deg=-0.0856) USER MOD Single : A 12 HIS : no HE2:sc= 0.262 K(o=0.26,f=-1.3) USER MOD Single : A 13 HIS : no HD1:sc= 0 X(o=0,f=-0.057) USER MOD Single : A 22 GLN : amide:sc= -0.432 X(o=-0.43,f=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc=-0.00125 K(o=-0.0013,f=-4.2!) USER MOD Single : A 32 TYR OH : rot -72:sc= 0.228 USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0127) USER MOD Single : A 53 MET CE :methyl -121:sc= 0 (180deg=-1.3) USER MOD Single : A 56 GLN : amide:sc= -0.199 K(o=-0.2,f=-3.3!) USER MOD Single : A 58 ASN : amide:sc= 0.697 K(o=0.7,f=-5.6!) USER MOD Single : A 61 ASN : amide:sc= 0.315 K(o=0.31,f=-6.3!) USER MOD Single : A 64 ASN : amide:sc= -0.104 K(o=-0.1,f=-1.4!) USER MOD Single : A 65 MET CE :methyl 136:sc= -1.25 (180deg=-1.88!) USER MOD Single : A 66 SER OG : rot 180:sc= 0.0329 USER MOD Single : A 67 ASN : amide:sc= 1.15 K(o=1.2,f=-3.2!) USER MOD Single : A 79 SER OG : rot 80:sc= 1.22 USER MOD Single : A 80 GLN : amide:sc= -0.541 X(o=-0.54,f=-0.076) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0.0874 USER MOD Single : A 87 THR OG1 : rot 75:sc= -0.024 USER MOD Single : A 90 LYS NZ :NH3+ 161:sc= 1.27 (180deg=0.809!) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 5.141 12.921 7.373 1.00 0.00 N ATOM 2 CA ASN A 1 3.787 12.844 7.969 1.00 0.00 C ATOM 3 C ASN A 1 3.224 11.436 7.817 1.00 0.00 C ATOM 4 O ASN A 1 2.854 11.022 6.719 1.00 0.00 O ATOM 5 CB ASN A 1 2.861 13.865 7.295 1.00 0.00 C ATOM 6 CG ASN A 1 1.465 13.884 7.893 1.00 0.00 C ATOM 7 OD1 ASN A 1 1.261 13.486 9.037 1.00 0.00 O ATOM 8 ND2 ASN A 1 0.498 14.369 7.128 1.00 0.00 N ATOM 0 H1 ASN A 1 5.501 13.894 7.453 1.00 0.00 H new ATOM 0 H2 ASN A 1 5.780 12.273 7.877 1.00 0.00 H new ATOM 0 H3 ASN A 1 5.095 12.650 6.370 1.00 0.00 H new ATOM 0 HA ASN A 1 3.854 13.077 9.032 1.00 0.00 H new ATOM 0 HB2 ASN A 1 3.301 14.859 7.381 1.00 0.00 H new ATOM 0 HB3 ASN A 1 2.792 13.638 6.231 1.00 0.00 H new ATOM 0 HD21 ASN A 1 -0.456 14.422 7.484 1.00 0.00 H new ATOM 0 HD22 ASN A 1 0.708 14.690 6.183 1.00 0.00 H new ATOM 17 N ILE A 2 3.166 10.703 8.920 1.00 0.00 N ATOM 18 CA ILE A 2 2.661 9.335 8.906 1.00 0.00 C ATOM 19 C ILE A 2 1.174 9.299 9.246 1.00 0.00 C ATOM 20 O ILE A 2 0.753 9.781 10.298 1.00 0.00 O ATOM 21 CB ILE A 2 3.432 8.442 9.901 1.00 0.00 C ATOM 22 CG1 ILE A 2 4.942 8.604 9.697 1.00 0.00 C ATOM 23 CG2 ILE A 2 3.021 6.985 9.733 1.00 0.00 C ATOM 24 CD1 ILE A 2 5.783 7.789 10.656 1.00 0.00 C ATOM 0 H ILE A 2 3.463 11.033 9.838 1.00 0.00 H new ATOM 0 HA ILE A 2 2.809 8.949 7.898 1.00 0.00 H new ATOM 0 HB ILE A 2 3.185 8.753 10.916 1.00 0.00 H new ATOM 0 HG12 ILE A 2 5.193 8.318 8.676 1.00 0.00 H new ATOM 0 HG13 ILE A 2 5.202 9.657 9.806 1.00 0.00 H new ATOM 0 HG21 ILE A 2 3.573 6.367 10.441 1.00 0.00 H new ATOM 0 HG22 ILE A 2 1.952 6.885 9.920 1.00 0.00 H new ATOM 0 HG23 ILE A 2 3.244 6.659 8.717 1.00 0.00 H new ATOM 0 HD11 ILE A 2 6.839 7.958 10.447 1.00 0.00 H new ATOM 0 HD12 ILE A 2 5.563 8.091 11.680 1.00 0.00 H new ATOM 0 HD13 ILE A 2 5.553 6.731 10.532 1.00 0.00 H new ATOM 36 N ILE A 3 0.385 8.724 8.347 1.00 0.00 N ATOM 37 CA ILE A 3 -1.060 8.622 8.531 1.00 0.00 C ATOM 38 C ILE A 3 -1.512 7.170 8.386 1.00 0.00 C ATOM 39 O ILE A 3 -0.995 6.435 7.545 1.00 0.00 O ATOM 40 CB ILE A 3 -1.821 9.495 7.503 1.00 0.00 C ATOM 41 CG1 ILE A 3 -1.244 10.913 7.475 1.00 0.00 C ATOM 42 CG2 ILE A 3 -3.310 9.534 7.829 1.00 0.00 C ATOM 43 CD1 ILE A 3 -1.910 11.826 6.466 1.00 0.00 C ATOM 0 H ILE A 3 0.724 8.317 7.475 1.00 0.00 H new ATOM 0 HA ILE A 3 -1.289 8.981 9.534 1.00 0.00 H new ATOM 0 HB ILE A 3 -1.697 9.049 6.516 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -1.339 11.353 8.468 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -0.178 10.857 7.252 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -3.827 10.152 7.095 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -3.715 8.522 7.801 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -3.454 9.955 8.824 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -1.447 12.812 6.506 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -1.792 11.410 5.465 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -2.971 11.914 6.700 1.00 0.00 H new ATOM 55 N THR A 4 -2.464 6.757 9.212 1.00 0.00 N ATOM 56 CA THR A 4 -2.980 5.395 9.169 1.00 0.00 C ATOM 57 C THR A 4 -4.470 5.398 8.827 1.00 0.00 C ATOM 58 O THR A 4 -5.298 5.838 9.629 1.00 0.00 O ATOM 59 CB THR A 4 -2.768 4.683 10.519 1.00 0.00 C ATOM 60 OG1 THR A 4 -1.488 5.041 11.057 1.00 0.00 O ATOM 61 CG2 THR A 4 -2.854 3.171 10.357 1.00 0.00 C ATOM 0 H THR A 4 -2.896 7.348 9.922 1.00 0.00 H new ATOM 0 HA THR A 4 -2.432 4.857 8.396 1.00 0.00 H new ATOM 0 HB THR A 4 -3.555 5.000 11.203 1.00 0.00 H new ATOM 0 HG1 THR A 4 -1.356 4.588 11.916 1.00 0.00 H new ATOM 0 HG21 THR A 4 -2.701 2.692 11.324 1.00 0.00 H new ATOM 0 HG22 THR A 4 -3.837 2.902 9.970 1.00 0.00 H new ATOM 0 HG23 THR A 4 -2.086 2.835 9.660 1.00 0.00 H new ATOM 69 N VAL A 5 -4.813 4.913 7.641 1.00 0.00 N ATOM 70 CA VAL A 5 -6.206 4.884 7.213 1.00 0.00 C ATOM 71 C VAL A 5 -6.679 3.449 6.983 1.00 0.00 C ATOM 72 O VAL A 5 -5.902 2.584 6.580 1.00 0.00 O ATOM 73 CB VAL A 5 -6.430 5.723 5.928 1.00 0.00 C ATOM 74 CG1 VAL A 5 -5.758 7.085 6.054 1.00 0.00 C ATOM 75 CG2 VAL A 5 -5.926 4.989 4.692 1.00 0.00 C ATOM 0 H VAL A 5 -4.151 4.537 6.962 1.00 0.00 H new ATOM 0 HA VAL A 5 -6.794 5.327 8.017 1.00 0.00 H new ATOM 0 HB VAL A 5 -7.503 5.874 5.811 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -5.926 7.659 5.143 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -6.180 7.621 6.904 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -4.687 6.950 6.205 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -6.098 5.604 3.808 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -4.859 4.792 4.795 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -6.460 4.045 4.586 1.00 0.00 H new ATOM 85 N THR A 6 -7.945 3.195 7.265 1.00 0.00 N ATOM 86 CA THR A 6 -8.520 1.873 7.065 1.00 0.00 C ATOM 87 C THR A 6 -9.542 1.916 5.937 1.00 0.00 C ATOM 88 O THR A 6 -10.428 2.775 5.919 1.00 0.00 O ATOM 89 CB THR A 6 -9.179 1.343 8.352 1.00 0.00 C ATOM 90 OG1 THR A 6 -8.223 1.350 9.419 1.00 0.00 O ATOM 91 CG2 THR A 6 -9.712 -0.070 8.158 1.00 0.00 C ATOM 0 H THR A 6 -8.597 3.887 7.634 1.00 0.00 H new ATOM 0 HA THR A 6 -7.711 1.193 6.798 1.00 0.00 H new ATOM 0 HB THR A 6 -10.018 1.995 8.598 1.00 0.00 H new ATOM 0 HG1 THR A 6 -7.628 0.576 9.330 1.00 0.00 H new ATOM 0 HG21 THR A 6 -10.171 -0.416 9.084 1.00 0.00 H new ATOM 0 HG22 THR A 6 -10.456 -0.072 7.361 1.00 0.00 H new ATOM 0 HG23 THR A 6 -8.891 -0.735 7.890 1.00 0.00 H new ATOM 99 N LEU A 7 -9.408 1.001 4.995 1.00 0.00 N ATOM 100 CA LEU A 7 -10.304 0.949 3.851 1.00 0.00 C ATOM 101 C LEU A 7 -11.291 -0.209 3.972 1.00 0.00 C ATOM 102 O LEU A 7 -10.954 -1.278 4.487 1.00 0.00 O ATOM 103 CB LEU A 7 -9.490 0.809 2.568 1.00 0.00 C ATOM 104 CG LEU A 7 -8.297 1.763 2.459 1.00 0.00 C ATOM 105 CD1 LEU A 7 -7.380 1.344 1.327 1.00 0.00 C ATOM 106 CD2 LEU A 7 -8.769 3.195 2.261 1.00 0.00 C ATOM 0 H LEU A 7 -8.686 0.281 4.998 1.00 0.00 H new ATOM 0 HA LEU A 7 -10.876 1.876 3.822 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -9.126 -0.216 2.495 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -10.149 0.975 1.716 1.00 0.00 H new ATOM 0 HG LEU A 7 -7.736 1.714 3.392 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -6.539 2.034 1.266 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -7.010 0.336 1.513 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -7.932 1.360 0.387 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -7.905 3.856 2.186 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -9.357 3.261 1.345 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -9.384 3.496 3.109 1.00 0.00 H new ATOM 118 N ASN A 8 -12.507 0.022 3.498 1.00 0.00 N ATOM 119 CA ASN A 8 -13.563 -0.980 3.528 1.00 0.00 C ATOM 120 C ASN A 8 -13.500 -1.850 2.278 1.00 0.00 C ATOM 121 O ASN A 8 -13.684 -1.361 1.160 1.00 0.00 O ATOM 122 CB ASN A 8 -14.932 -0.297 3.628 1.00 0.00 C ATOM 123 CG ASN A 8 -16.096 -1.241 3.386 1.00 0.00 C ATOM 124 OD1 ASN A 8 -16.539 -1.430 2.252 1.00 0.00 O ATOM 125 ND2 ASN A 8 -16.601 -1.846 4.447 1.00 0.00 N ATOM 0 H ASN A 8 -12.789 0.909 3.082 1.00 0.00 H new ATOM 0 HA ASN A 8 -13.421 -1.615 4.403 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -15.036 0.150 4.617 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -14.977 0.517 2.904 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -17.382 -2.493 4.341 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -16.209 -1.666 5.371 1.00 0.00 H new ATOM 132 N MET A 9 -13.247 -3.138 2.467 1.00 0.00 N ATOM 133 CA MET A 9 -13.152 -4.068 1.348 1.00 0.00 C ATOM 134 C MET A 9 -14.465 -4.809 1.133 1.00 0.00 C ATOM 135 O MET A 9 -14.530 -5.783 0.386 1.00 0.00 O ATOM 136 CB MET A 9 -12.014 -5.062 1.569 1.00 0.00 C ATOM 137 CG MET A 9 -10.635 -4.427 1.487 1.00 0.00 C ATOM 138 SD MET A 9 -10.425 -3.398 0.018 1.00 0.00 S ATOM 139 CE MET A 9 -10.560 -4.626 -1.274 1.00 0.00 C ATOM 0 H MET A 9 -13.104 -3.563 3.383 1.00 0.00 H new ATOM 0 HA MET A 9 -12.940 -3.486 0.451 1.00 0.00 H new ATOM 0 HB2 MET A 9 -12.134 -5.529 2.547 1.00 0.00 H new ATOM 0 HB3 MET A 9 -12.085 -5.856 0.826 1.00 0.00 H new ATOM 0 HG2 MET A 9 -10.466 -3.821 2.377 1.00 0.00 H new ATOM 0 HG3 MET A 9 -9.878 -5.211 1.487 1.00 0.00 H new ATOM 0 HE1 MET A 9 -10.328 -4.169 -2.236 1.00 0.00 H new ATOM 0 HE2 MET A 9 -9.859 -5.437 -1.079 1.00 0.00 H new ATOM 0 HE3 MET A 9 -11.576 -5.021 -1.296 1.00 0.00 H new ATOM 149 N GLU A 10 -15.508 -4.344 1.794 1.00 0.00 N ATOM 150 CA GLU A 10 -16.819 -4.952 1.660 1.00 0.00 C ATOM 151 C GLU A 10 -17.515 -4.407 0.420 1.00 0.00 C ATOM 152 O GLU A 10 -18.063 -5.160 -0.382 1.00 0.00 O ATOM 153 CB GLU A 10 -17.664 -4.679 2.903 1.00 0.00 C ATOM 154 CG GLU A 10 -17.175 -5.400 4.146 1.00 0.00 C ATOM 155 CD GLU A 10 -17.450 -6.887 4.099 1.00 0.00 C ATOM 156 OE1 GLU A 10 -18.620 -7.272 3.901 1.00 0.00 O ATOM 157 OE2 GLU A 10 -16.495 -7.680 4.256 1.00 0.00 O ATOM 0 H GLU A 10 -15.473 -3.547 2.429 1.00 0.00 H new ATOM 0 HA GLU A 10 -16.698 -6.030 1.556 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -17.673 -3.606 3.096 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -18.694 -4.976 2.703 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -16.104 -5.235 4.260 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -17.658 -4.972 5.024 1.00 0.00 H new ATOM 164 N ARG A 11 -17.468 -3.088 0.267 1.00 0.00 N ATOM 165 CA ARG A 11 -18.086 -2.421 -0.870 1.00 0.00 C ATOM 166 C ARG A 11 -17.070 -2.234 -1.994 1.00 0.00 C ATOM 167 O ARG A 11 -17.422 -1.908 -3.126 1.00 0.00 O ATOM 168 CB ARG A 11 -18.650 -1.063 -0.433 1.00 0.00 C ATOM 169 CG ARG A 11 -19.426 -0.335 -1.520 1.00 0.00 C ATOM 170 CD ARG A 11 -19.767 1.088 -1.110 1.00 0.00 C ATOM 171 NE ARG A 11 -20.392 1.834 -2.199 1.00 0.00 N ATOM 172 CZ ARG A 11 -20.406 3.163 -2.282 1.00 0.00 C ATOM 173 NH1 ARG A 11 -19.870 3.899 -1.316 1.00 0.00 N ATOM 174 NH2 ARG A 11 -20.977 3.755 -3.324 1.00 0.00 N ATOM 0 H ARG A 11 -17.005 -2.457 0.921 1.00 0.00 H new ATOM 0 HA ARG A 11 -18.901 -3.041 -1.242 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -19.303 -1.212 0.427 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -17.827 -0.429 -0.102 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -18.838 -0.318 -2.438 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -20.344 -0.880 -1.739 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -20.439 1.067 -0.252 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -18.860 1.602 -0.792 1.00 0.00 H new ATOM 0 HE ARG A 11 -20.846 1.304 -2.943 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -19.445 3.447 -0.506 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -19.883 4.917 -1.383 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -21.404 3.192 -4.060 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -20.989 4.773 -3.389 1.00 0.00 H new ATOM 188 N HIS A 12 -15.806 -2.451 -1.680 1.00 0.00 N ATOM 189 CA HIS A 12 -14.747 -2.293 -2.666 1.00 0.00 C ATOM 190 C HIS A 12 -14.142 -3.638 -3.031 1.00 0.00 C ATOM 191 O HIS A 12 -14.150 -4.568 -2.230 1.00 0.00 O ATOM 192 CB HIS A 12 -13.656 -1.361 -2.141 1.00 0.00 C ATOM 193 CG HIS A 12 -14.097 0.068 -2.033 1.00 0.00 C ATOM 194 ND1 HIS A 12 -14.079 0.776 -0.851 1.00 0.00 N ATOM 195 CD2 HIS A 12 -14.573 0.920 -2.974 1.00 0.00 C ATOM 196 CE1 HIS A 12 -14.529 2.000 -1.070 1.00 0.00 C ATOM 197 NE2 HIS A 12 -14.836 2.112 -2.348 1.00 0.00 N ATOM 0 H HIS A 12 -15.486 -2.736 -0.754 1.00 0.00 H new ATOM 0 HA HIS A 12 -15.188 -1.853 -3.561 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -13.332 -1.709 -1.160 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -12.791 -1.418 -2.801 1.00 0.00 H new ATOM 0 HD1 HIS A 12 -13.768 0.413 0.050 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -14.718 0.701 -4.022 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -14.628 2.778 -0.327 1.00 0.00 H new ATOM 206 N HIS A 13 -13.621 -3.737 -4.243 1.00 0.00 N ATOM 207 CA HIS A 13 -13.003 -4.971 -4.712 1.00 0.00 C ATOM 208 C HIS A 13 -11.494 -4.802 -4.816 1.00 0.00 C ATOM 209 O HIS A 13 -10.732 -5.724 -4.521 1.00 0.00 O ATOM 210 CB HIS A 13 -13.572 -5.384 -6.074 1.00 0.00 C ATOM 211 CG HIS A 13 -15.017 -5.772 -6.042 1.00 0.00 C ATOM 212 ND1 HIS A 13 -15.546 -6.653 -5.122 1.00 0.00 N ATOM 213 CD2 HIS A 13 -16.049 -5.381 -6.822 1.00 0.00 C ATOM 214 CE1 HIS A 13 -16.843 -6.784 -5.339 1.00 0.00 C ATOM 215 NE2 HIS A 13 -17.172 -6.021 -6.362 1.00 0.00 N ATOM 0 H HIS A 13 -13.613 -2.977 -4.923 1.00 0.00 H new ATOM 0 HA HIS A 13 -13.227 -5.755 -3.988 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -13.444 -4.558 -6.774 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -12.991 -6.222 -6.459 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -15.999 -4.693 -7.653 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -17.518 -7.410 -4.774 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -18.110 -5.922 -6.749 1.00 0.00 H new ATOM 224 N PHE A 14 -11.071 -3.610 -5.215 1.00 0.00 N ATOM 225 CA PHE A 14 -9.657 -3.312 -5.367 1.00 0.00 C ATOM 226 C PHE A 14 -9.299 -2.021 -4.640 1.00 0.00 C ATOM 227 O PHE A 14 -10.177 -1.226 -4.298 1.00 0.00 O ATOM 228 CB PHE A 14 -9.286 -3.216 -6.853 1.00 0.00 C ATOM 229 CG PHE A 14 -10.109 -2.234 -7.642 1.00 0.00 C ATOM 230 CD1 PHE A 14 -11.342 -2.598 -8.158 1.00 0.00 C ATOM 231 CD2 PHE A 14 -9.644 -0.950 -7.876 1.00 0.00 C ATOM 232 CE1 PHE A 14 -12.095 -1.701 -8.890 1.00 0.00 C ATOM 233 CE2 PHE A 14 -10.393 -0.050 -8.609 1.00 0.00 C ATOM 234 CZ PHE A 14 -11.621 -0.426 -9.116 1.00 0.00 C ATOM 0 H PHE A 14 -11.691 -2.832 -5.440 1.00 0.00 H new ATOM 0 HA PHE A 14 -9.084 -4.125 -4.921 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -8.235 -2.937 -6.934 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -9.390 -4.203 -7.304 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -11.719 -3.595 -7.986 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -8.685 -0.649 -7.481 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -13.055 -1.998 -9.285 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -10.018 0.947 -8.785 1.00 0.00 H new ATOM 0 HZ PHE A 14 -12.209 0.277 -9.688 1.00 0.00 H new ATOM 244 N LEU A 15 -8.008 -1.812 -4.409 1.00 0.00 N ATOM 245 CA LEU A 15 -7.540 -0.619 -3.708 1.00 0.00 C ATOM 246 C LEU A 15 -7.345 0.543 -4.675 1.00 0.00 C ATOM 247 O LEU A 15 -7.555 1.700 -4.314 1.00 0.00 O ATOM 248 CB LEU A 15 -6.226 -0.904 -2.975 1.00 0.00 C ATOM 249 CG LEU A 15 -6.280 -2.017 -1.926 1.00 0.00 C ATOM 250 CD1 LEU A 15 -4.935 -2.147 -1.229 1.00 0.00 C ATOM 251 CD2 LEU A 15 -7.384 -1.753 -0.909 1.00 0.00 C ATOM 0 H LEU A 15 -7.267 -2.451 -4.696 1.00 0.00 H new ATOM 0 HA LEU A 15 -8.303 -0.343 -2.980 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -5.468 -1.163 -3.714 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.896 0.014 -2.488 1.00 0.00 H new ATOM 0 HG LEU A 15 -6.505 -2.955 -2.433 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -4.986 -2.942 -0.485 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.166 -2.386 -1.964 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -4.687 -1.206 -0.738 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -7.402 -2.558 -0.174 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -7.195 -0.805 -0.405 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -8.346 -1.707 -1.420 1.00 0.00 H new ATOM 263 N GLY A 16 -6.962 0.221 -5.902 1.00 0.00 N ATOM 264 CA GLY A 16 -6.732 1.239 -6.910 1.00 0.00 C ATOM 265 C GLY A 16 -5.489 2.065 -6.638 1.00 0.00 C ATOM 266 O GLY A 16 -5.553 3.289 -6.624 1.00 0.00 O ATOM 0 H GLY A 16 -6.805 -0.735 -6.221 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -6.640 0.763 -7.886 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -7.598 1.899 -6.958 1.00 0.00 H new ATOM 270 N ILE A 17 -4.357 1.399 -6.444 1.00 0.00 N ATOM 271 CA ILE A 17 -3.093 2.095 -6.165 1.00 0.00 C ATOM 272 C ILE A 17 -1.904 1.300 -6.678 1.00 0.00 C ATOM 273 O ILE A 17 -1.506 0.312 -6.067 1.00 0.00 O ATOM 274 CB ILE A 17 -2.875 2.354 -4.654 1.00 0.00 C ATOM 275 CG1 ILE A 17 -3.383 1.173 -3.815 1.00 0.00 C ATOM 276 CG2 ILE A 17 -3.546 3.648 -4.227 1.00 0.00 C ATOM 277 CD1 ILE A 17 -2.769 1.104 -2.432 1.00 0.00 C ATOM 0 H ILE A 17 -4.281 0.382 -6.473 1.00 0.00 H new ATOM 0 HA ILE A 17 -3.166 3.052 -6.682 1.00 0.00 H new ATOM 0 HB ILE A 17 -1.804 2.453 -4.480 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -4.466 1.245 -3.719 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -3.171 0.244 -4.344 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -3.380 3.810 -3.162 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -3.124 4.480 -4.791 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -4.617 3.584 -4.422 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -3.174 0.245 -1.896 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.687 1.000 -2.519 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -3.003 2.017 -1.884 1.00 0.00 H new ATOM 289 N SER A 18 -1.331 1.721 -7.797 1.00 0.00 N ATOM 290 CA SER A 18 -0.202 1.000 -8.361 1.00 0.00 C ATOM 291 C SER A 18 1.047 1.215 -7.514 1.00 0.00 C ATOM 292 O SER A 18 1.493 2.345 -7.310 1.00 0.00 O ATOM 293 CB SER A 18 0.029 1.394 -9.825 1.00 0.00 C ATOM 294 OG SER A 18 0.408 2.757 -9.944 1.00 0.00 O ATOM 0 H SER A 18 -1.624 2.544 -8.324 1.00 0.00 H new ATOM 0 HA SER A 18 -0.432 -0.065 -8.348 1.00 0.00 H new ATOM 0 HB2 SER A 18 0.805 0.761 -10.255 1.00 0.00 H new ATOM 0 HB3 SER A 18 -0.881 1.217 -10.398 1.00 0.00 H new ATOM 0 HG SER A 18 1.007 2.996 -9.206 1.00 0.00 H new ATOM 300 N ILE A 19 1.588 0.119 -7.006 1.00 0.00 N ATOM 301 CA ILE A 19 2.769 0.159 -6.155 1.00 0.00 C ATOM 302 C ILE A 19 4.047 0.268 -6.978 1.00 0.00 C ATOM 303 O ILE A 19 4.246 -0.485 -7.931 1.00 0.00 O ATOM 304 CB ILE A 19 2.856 -1.103 -5.268 1.00 0.00 C ATOM 305 CG1 ILE A 19 1.485 -1.439 -4.667 1.00 0.00 C ATOM 306 CG2 ILE A 19 3.891 -0.916 -4.165 1.00 0.00 C ATOM 307 CD1 ILE A 19 0.896 -0.329 -3.821 1.00 0.00 C ATOM 0 H ILE A 19 1.224 -0.820 -7.170 1.00 0.00 H new ATOM 0 HA ILE A 19 2.673 1.043 -5.525 1.00 0.00 H new ATOM 0 HB ILE A 19 3.170 -1.938 -5.895 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.792 -1.673 -5.476 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.577 -2.337 -4.057 1.00 0.00 H new ATOM 0 HG21 ILE A 19 3.936 -1.816 -3.552 1.00 0.00 H new ATOM 0 HG22 ILE A 19 4.868 -0.731 -4.611 1.00 0.00 H new ATOM 0 HG23 ILE A 19 3.610 -0.067 -3.542 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.073 -0.643 -3.432 1.00 0.00 H new ATOM 0 HD12 ILE A 19 1.567 -0.110 -2.990 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.770 0.565 -4.431 1.00 0.00 H new ATOM 319 N VAL A 20 4.900 1.212 -6.611 1.00 0.00 N ATOM 320 CA VAL A 20 6.170 1.415 -7.293 1.00 0.00 C ATOM 321 C VAL A 20 7.315 1.289 -6.293 1.00 0.00 C ATOM 322 O VAL A 20 7.456 2.119 -5.397 1.00 0.00 O ATOM 323 CB VAL A 20 6.242 2.798 -7.980 1.00 0.00 C ATOM 324 CG1 VAL A 20 7.501 2.914 -8.827 1.00 0.00 C ATOM 325 CG2 VAL A 20 5.002 3.044 -8.824 1.00 0.00 C ATOM 0 H VAL A 20 4.734 1.855 -5.837 1.00 0.00 H new ATOM 0 HA VAL A 20 6.255 0.651 -8.065 1.00 0.00 H new ATOM 0 HB VAL A 20 6.283 3.562 -7.203 1.00 0.00 H new ATOM 0 HG11 VAL A 20 7.531 3.895 -9.301 1.00 0.00 H new ATOM 0 HG12 VAL A 20 8.379 2.790 -8.193 1.00 0.00 H new ATOM 0 HG13 VAL A 20 7.496 2.140 -9.594 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.073 4.023 -9.299 1.00 0.00 H new ATOM 0 HG22 VAL A 20 4.925 2.273 -9.591 1.00 0.00 H new ATOM 0 HG23 VAL A 20 4.117 3.012 -8.188 1.00 0.00 H new ATOM 335 N GLY A 21 8.111 0.236 -6.434 1.00 0.00 N ATOM 336 CA GLY A 21 9.227 0.022 -5.530 1.00 0.00 C ATOM 337 C GLY A 21 10.445 0.831 -5.917 1.00 0.00 C ATOM 338 O GLY A 21 10.918 0.751 -7.053 1.00 0.00 O ATOM 0 H GLY A 21 8.004 -0.474 -7.158 1.00 0.00 H new ATOM 0 HA2 GLY A 21 8.926 0.286 -4.516 1.00 0.00 H new ATOM 0 HA3 GLY A 21 9.485 -1.037 -5.520 1.00 0.00 H new ATOM 342 N GLN A 22 10.950 1.619 -4.981 1.00 0.00 N ATOM 343 CA GLN A 22 12.124 2.441 -5.230 1.00 0.00 C ATOM 344 C GLN A 22 13.385 1.586 -5.160 1.00 0.00 C ATOM 345 O GLN A 22 13.645 0.925 -4.153 1.00 0.00 O ATOM 346 CB GLN A 22 12.205 3.589 -4.222 1.00 0.00 C ATOM 347 CG GLN A 22 13.282 4.606 -4.553 1.00 0.00 C ATOM 348 CD GLN A 22 13.253 5.811 -3.635 1.00 0.00 C ATOM 349 OE1 GLN A 22 13.568 6.924 -4.051 1.00 0.00 O ATOM 350 NE2 GLN A 22 12.883 5.604 -2.382 1.00 0.00 N ATOM 0 H GLN A 22 10.565 1.707 -4.041 1.00 0.00 H new ATOM 0 HA GLN A 22 12.041 2.869 -6.229 1.00 0.00 H new ATOM 0 HB2 GLN A 22 11.240 4.094 -4.179 1.00 0.00 H new ATOM 0 HB3 GLN A 22 12.395 3.179 -3.230 1.00 0.00 H new ATOM 0 HG2 GLN A 22 14.259 4.128 -4.487 1.00 0.00 H new ATOM 0 HG3 GLN A 22 13.158 4.937 -5.584 1.00 0.00 H new ATOM 0 HE21 GLN A 22 12.629 4.666 -2.074 1.00 0.00 H new ATOM 0 HE22 GLN A 22 12.852 6.383 -1.724 1.00 0.00 H new ATOM 359 N SER A 23 14.155 1.593 -6.234 1.00 0.00 N ATOM 360 CA SER A 23 15.373 0.804 -6.301 1.00 0.00 C ATOM 361 C SER A 23 16.596 1.707 -6.451 1.00 0.00 C ATOM 362 O SER A 23 16.472 2.870 -6.855 1.00 0.00 O ATOM 363 CB SER A 23 15.271 -0.164 -7.476 1.00 0.00 C ATOM 364 OG SER A 23 13.923 -0.575 -7.661 1.00 0.00 O ATOM 0 H SER A 23 13.958 2.138 -7.074 1.00 0.00 H new ATOM 0 HA SER A 23 15.491 0.241 -5.375 1.00 0.00 H new ATOM 0 HB2 SER A 23 15.640 0.314 -8.383 1.00 0.00 H new ATOM 0 HB3 SER A 23 15.902 -1.034 -7.295 1.00 0.00 H new ATOM 0 HG SER A 23 13.871 -1.194 -8.419 1.00 0.00 H new ATOM 370 N ASN A 24 17.767 1.173 -6.118 1.00 0.00 N ATOM 371 CA ASN A 24 19.015 1.924 -6.214 1.00 0.00 C ATOM 372 C ASN A 24 20.205 1.000 -5.945 1.00 0.00 C ATOM 373 O ASN A 24 20.076 -0.222 -6.041 1.00 0.00 O ATOM 374 CB ASN A 24 19.014 3.100 -5.228 1.00 0.00 C ATOM 375 CG ASN A 24 19.792 4.299 -5.746 1.00 0.00 C ATOM 376 OD1 ASN A 24 20.746 4.155 -6.509 1.00 0.00 O ATOM 377 ND2 ASN A 24 19.387 5.490 -5.334 1.00 0.00 N ATOM 0 H ASN A 24 17.878 0.218 -5.778 1.00 0.00 H new ATOM 0 HA ASN A 24 19.104 2.326 -7.223 1.00 0.00 H new ATOM 0 HB2 ASN A 24 17.985 3.399 -5.026 1.00 0.00 H new ATOM 0 HB3 ASN A 24 19.443 2.775 -4.280 1.00 0.00 H new ATOM 0 HD21 ASN A 24 19.871 6.331 -5.650 1.00 0.00 H new ATOM 0 HD22 ASN A 24 18.591 5.567 -4.701 1.00 0.00 H new ATOM 384 N ASP A 25 21.349 1.586 -5.606 1.00 0.00 N ATOM 385 CA ASP A 25 22.564 0.823 -5.330 1.00 0.00 C ATOM 386 C ASP A 25 22.373 -0.135 -4.161 1.00 0.00 C ATOM 387 O ASP A 25 22.817 -1.282 -4.214 1.00 0.00 O ATOM 388 CB ASP A 25 23.736 1.761 -5.037 1.00 0.00 C ATOM 389 CG ASP A 25 24.522 2.108 -6.280 1.00 0.00 C ATOM 390 OD1 ASP A 25 25.397 1.313 -6.675 1.00 0.00 O ATOM 391 OD2 ASP A 25 24.261 3.173 -6.877 1.00 0.00 O ATOM 0 H ASP A 25 21.461 2.596 -5.515 1.00 0.00 H new ATOM 0 HA ASP A 25 22.785 0.236 -6.222 1.00 0.00 H new ATOM 0 HB2 ASP A 25 23.359 2.677 -4.581 1.00 0.00 H new ATOM 0 HB3 ASP A 25 24.399 1.293 -4.310 1.00 0.00 H new ATOM 396 N ARG A 26 21.722 0.341 -3.109 1.00 0.00 N ATOM 397 CA ARG A 26 21.471 -0.483 -1.933 1.00 0.00 C ATOM 398 C ARG A 26 20.278 -1.403 -2.179 1.00 0.00 C ATOM 399 O ARG A 26 20.430 -2.621 -2.269 1.00 0.00 O ATOM 400 CB ARG A 26 21.232 0.396 -0.701 1.00 0.00 C ATOM 401 CG ARG A 26 22.365 1.371 -0.418 1.00 0.00 C ATOM 402 CD ARG A 26 23.559 0.682 0.217 1.00 0.00 C ATOM 403 NE ARG A 26 24.582 1.642 0.624 1.00 0.00 N ATOM 404 CZ ARG A 26 24.906 1.897 1.891 1.00 0.00 C ATOM 405 NH1 ARG A 26 24.299 1.252 2.882 1.00 0.00 N ATOM 406 NH2 ARG A 26 25.837 2.798 2.169 1.00 0.00 N ATOM 0 H ARG A 26 21.358 1.292 -3.045 1.00 0.00 H new ATOM 0 HA ARG A 26 22.350 -1.099 -1.745 1.00 0.00 H new ATOM 0 HB2 ARG A 26 20.308 0.957 -0.839 1.00 0.00 H new ATOM 0 HB3 ARG A 26 21.089 -0.244 0.169 1.00 0.00 H new ATOM 0 HG2 ARG A 26 22.674 1.849 -1.348 1.00 0.00 H new ATOM 0 HG3 ARG A 26 22.008 2.161 0.243 1.00 0.00 H new ATOM 0 HD2 ARG A 26 23.230 0.110 1.085 1.00 0.00 H new ATOM 0 HD3 ARG A 26 23.987 -0.029 -0.490 1.00 0.00 H new ATOM 0 HE ARG A 26 25.080 2.149 -0.108 1.00 0.00 H new ATOM 0 HH11 ARG A 26 23.581 0.558 2.674 1.00 0.00 H new ATOM 0 HH12 ARG A 26 24.551 1.451 3.850 1.00 0.00 H new ATOM 0 HH21 ARG A 26 26.306 3.297 1.413 1.00 0.00 H new ATOM 0 HH22 ARG A 26 26.085 2.993 3.139 1.00 0.00 H new ATOM 420 N GLY A 27 19.095 -0.815 -2.297 1.00 0.00 N ATOM 421 CA GLY A 27 17.904 -1.599 -2.556 1.00 0.00 C ATOM 422 C GLY A 27 16.772 -1.301 -1.595 1.00 0.00 C ATOM 423 O GLY A 27 15.596 -1.467 -1.941 1.00 0.00 O ATOM 0 H GLY A 27 18.939 0.190 -2.218 1.00 0.00 H new ATOM 0 HA2 GLY A 27 17.566 -1.409 -3.575 1.00 0.00 H new ATOM 0 HA3 GLY A 27 18.154 -2.658 -2.495 1.00 0.00 H new ATOM 427 N ASP A 28 17.112 -0.843 -0.398 1.00 0.00 N ATOM 428 CA ASP A 28 16.114 -0.531 0.625 1.00 0.00 C ATOM 429 C ASP A 28 15.453 0.827 0.370 1.00 0.00 C ATOM 430 O ASP A 28 15.425 1.700 1.239 1.00 0.00 O ATOM 431 CB ASP A 28 16.754 -0.568 2.022 1.00 0.00 C ATOM 432 CG ASP A 28 17.870 0.444 2.202 1.00 0.00 C ATOM 433 OD1 ASP A 28 18.900 0.339 1.502 1.00 0.00 O ATOM 434 OD2 ASP A 28 17.725 1.348 3.051 1.00 0.00 O ATOM 0 H ASP A 28 18.076 -0.677 -0.107 1.00 0.00 H new ATOM 0 HA ASP A 28 15.334 -1.290 0.575 1.00 0.00 H new ATOM 0 HB2 ASP A 28 15.984 -0.385 2.771 1.00 0.00 H new ATOM 0 HB3 ASP A 28 17.147 -1.568 2.207 1.00 0.00 H new ATOM 439 N GLY A 29 14.901 0.987 -0.823 1.00 0.00 N ATOM 440 CA GLY A 29 14.247 2.227 -1.184 1.00 0.00 C ATOM 441 C GLY A 29 12.828 2.317 -0.659 1.00 0.00 C ATOM 442 O GLY A 29 12.360 3.401 -0.309 1.00 0.00 O ATOM 0 H GLY A 29 14.895 0.274 -1.553 1.00 0.00 H new ATOM 0 HA2 GLY A 29 14.827 3.065 -0.796 1.00 0.00 H new ATOM 0 HA3 GLY A 29 14.235 2.323 -2.270 1.00 0.00 H new ATOM 446 N GLY A 30 12.139 1.184 -0.616 1.00 0.00 N ATOM 447 CA GLY A 30 10.776 1.157 -0.126 1.00 0.00 C ATOM 448 C GLY A 30 9.755 1.268 -1.241 1.00 0.00 C ATOM 449 O GLY A 30 10.072 1.722 -2.345 1.00 0.00 O ATOM 0 H GLY A 30 12.503 0.279 -0.914 1.00 0.00 H new ATOM 0 HA2 GLY A 30 10.609 0.231 0.424 1.00 0.00 H new ATOM 0 HA3 GLY A 30 10.630 1.976 0.578 1.00 0.00 H new ATOM 453 N ILE A 31 8.526 0.860 -0.956 1.00 0.00 N ATOM 454 CA ILE A 31 7.459 0.914 -1.945 1.00 0.00 C ATOM 455 C ILE A 31 6.663 2.212 -1.821 1.00 0.00 C ATOM 456 O ILE A 31 6.282 2.623 -0.722 1.00 0.00 O ATOM 457 CB ILE A 31 6.504 -0.292 -1.826 1.00 0.00 C ATOM 458 CG1 ILE A 31 6.062 -0.501 -0.375 1.00 0.00 C ATOM 459 CG2 ILE A 31 7.171 -1.547 -2.369 1.00 0.00 C ATOM 460 CD1 ILE A 31 4.921 -1.485 -0.227 1.00 0.00 C ATOM 0 H ILE A 31 8.244 0.488 -0.049 1.00 0.00 H new ATOM 0 HA ILE A 31 7.935 0.878 -2.925 1.00 0.00 H new ATOM 0 HB ILE A 31 5.614 -0.084 -2.420 1.00 0.00 H new ATOM 0 HG12 ILE A 31 6.913 -0.853 0.209 1.00 0.00 H new ATOM 0 HG13 ILE A 31 5.761 0.458 0.047 1.00 0.00 H new ATOM 0 HG21 ILE A 31 6.487 -2.391 -2.279 1.00 0.00 H new ATOM 0 HG22 ILE A 31 7.428 -1.398 -3.418 1.00 0.00 H new ATOM 0 HG23 ILE A 31 8.077 -1.753 -1.800 1.00 0.00 H new ATOM 0 HD11 ILE A 31 4.660 -1.584 0.827 1.00 0.00 H new ATOM 0 HD12 ILE A 31 4.055 -1.125 -0.783 1.00 0.00 H new ATOM 0 HD13 ILE A 31 5.225 -2.456 -0.618 1.00 0.00 H new ATOM 472 N TYR A 32 6.426 2.859 -2.951 1.00 0.00 N ATOM 473 CA TYR A 32 5.696 4.118 -2.979 1.00 0.00 C ATOM 474 C TYR A 32 4.438 3.999 -3.832 1.00 0.00 C ATOM 475 O TYR A 32 4.336 3.115 -4.688 1.00 0.00 O ATOM 476 CB TYR A 32 6.583 5.226 -3.553 1.00 0.00 C ATOM 477 CG TYR A 32 7.565 5.822 -2.565 1.00 0.00 C ATOM 478 CD1 TYR A 32 8.679 5.107 -2.141 1.00 0.00 C ATOM 479 CD2 TYR A 32 7.383 7.105 -2.068 1.00 0.00 C ATOM 480 CE1 TYR A 32 9.580 5.655 -1.245 1.00 0.00 C ATOM 481 CE2 TYR A 32 8.278 7.659 -1.175 1.00 0.00 C ATOM 482 CZ TYR A 32 9.374 6.932 -0.766 1.00 0.00 C ATOM 483 OH TYR A 32 10.264 7.485 0.127 1.00 0.00 O ATOM 0 H TYR A 32 6.731 2.531 -3.867 1.00 0.00 H new ATOM 0 HA TYR A 32 5.410 4.363 -1.956 1.00 0.00 H new ATOM 0 HB2 TYR A 32 7.139 4.826 -4.401 1.00 0.00 H new ATOM 0 HB3 TYR A 32 5.945 6.022 -3.937 1.00 0.00 H new ATOM 0 HD1 TYR A 32 8.844 4.108 -2.517 1.00 0.00 H new ATOM 0 HD2 TYR A 32 6.526 7.680 -2.386 1.00 0.00 H new ATOM 0 HE1 TYR A 32 10.440 5.086 -0.923 1.00 0.00 H new ATOM 0 HE2 TYR A 32 8.119 8.659 -0.798 1.00 0.00 H new ATOM 0 HH TYR A 32 10.168 7.047 0.998 1.00 0.00 H new ATOM 493 N ILE A 33 3.483 4.882 -3.582 1.00 0.00 N ATOM 494 CA ILE A 33 2.242 4.910 -4.341 1.00 0.00 C ATOM 495 C ILE A 33 2.483 5.608 -5.674 1.00 0.00 C ATOM 496 O ILE A 33 2.834 6.791 -5.705 1.00 0.00 O ATOM 497 CB ILE A 33 1.120 5.647 -3.573 1.00 0.00 C ATOM 498 CG1 ILE A 33 0.821 4.935 -2.251 1.00 0.00 C ATOM 499 CG2 ILE A 33 -0.141 5.752 -4.423 1.00 0.00 C ATOM 500 CD1 ILE A 33 0.333 3.510 -2.415 1.00 0.00 C ATOM 0 H ILE A 33 3.545 5.594 -2.854 1.00 0.00 H new ATOM 0 HA ILE A 33 1.921 3.881 -4.502 1.00 0.00 H new ATOM 0 HB ILE A 33 1.464 6.657 -3.352 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.724 4.931 -1.640 1.00 0.00 H new ATOM 0 HG13 ILE A 33 0.069 5.505 -1.705 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.916 6.274 -3.862 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.081 6.305 -5.336 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.491 4.752 -4.680 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.144 3.075 -1.434 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.588 3.506 -2.998 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.092 2.923 -2.932 1.00 0.00 H new ATOM 512 N GLY A 34 2.323 4.873 -6.765 1.00 0.00 N ATOM 513 CA GLY A 34 2.536 5.436 -8.081 1.00 0.00 C ATOM 514 C GLY A 34 1.354 6.239 -8.574 1.00 0.00 C ATOM 515 O GLY A 34 1.441 7.459 -8.716 1.00 0.00 O ATOM 0 H GLY A 34 2.048 3.891 -6.761 1.00 0.00 H new ATOM 0 HA2 GLY A 34 3.419 6.074 -8.059 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.742 4.631 -8.786 1.00 0.00 H new ATOM 519 N SER A 35 0.251 5.560 -8.838 1.00 0.00 N ATOM 520 CA SER A 35 -0.946 6.223 -9.327 1.00 0.00 C ATOM 521 C SER A 35 -2.194 5.599 -8.718 1.00 0.00 C ATOM 522 O SER A 35 -2.220 4.398 -8.438 1.00 0.00 O ATOM 523 CB SER A 35 -1.003 6.141 -10.856 1.00 0.00 C ATOM 524 OG SER A 35 -0.006 5.264 -11.363 1.00 0.00 O ATOM 0 H SER A 35 0.159 4.551 -8.722 1.00 0.00 H new ATOM 0 HA SER A 35 -0.908 7.271 -9.029 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.988 5.794 -11.167 1.00 0.00 H new ATOM 0 HB3 SER A 35 -0.866 7.135 -11.281 1.00 0.00 H new ATOM 0 HG SER A 35 -0.047 4.410 -10.884 1.00 0.00 H new ATOM 530 N ILE A 36 -3.212 6.421 -8.502 1.00 0.00 N ATOM 531 CA ILE A 36 -4.468 5.951 -7.933 1.00 0.00 C ATOM 532 C ILE A 36 -5.505 5.756 -9.034 1.00 0.00 C ATOM 533 O ILE A 36 -5.637 6.587 -9.936 1.00 0.00 O ATOM 534 CB ILE A 36 -5.012 6.930 -6.869 1.00 0.00 C ATOM 535 CG1 ILE A 36 -3.914 7.259 -5.851 1.00 0.00 C ATOM 536 CG2 ILE A 36 -6.233 6.340 -6.172 1.00 0.00 C ATOM 537 CD1 ILE A 36 -4.371 8.158 -4.728 1.00 0.00 C ATOM 0 H ILE A 36 -3.192 7.419 -8.713 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.272 4.996 -7.445 1.00 0.00 H new ATOM 0 HB ILE A 36 -5.318 7.852 -7.364 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.534 6.329 -5.427 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.082 7.736 -6.370 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -6.602 7.044 -5.426 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -7.014 6.148 -6.907 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -5.957 5.406 -5.684 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.538 8.345 -4.050 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -4.723 9.104 -5.140 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -5.182 7.675 -4.183 1.00 0.00 H new ATOM 549 N MET A 37 -6.240 4.659 -8.954 1.00 0.00 N ATOM 550 CA MET A 37 -7.254 4.345 -9.949 1.00 0.00 C ATOM 551 C MET A 37 -8.644 4.617 -9.392 1.00 0.00 C ATOM 552 O MET A 37 -8.955 4.232 -8.261 1.00 0.00 O ATOM 553 CB MET A 37 -7.145 2.882 -10.389 1.00 0.00 C ATOM 554 CG MET A 37 -5.725 2.436 -10.704 1.00 0.00 C ATOM 555 SD MET A 37 -4.937 3.444 -11.974 1.00 0.00 S ATOM 556 CE MET A 37 -3.277 2.770 -11.949 1.00 0.00 C ATOM 0 H MET A 37 -6.153 3.969 -8.208 1.00 0.00 H new ATOM 0 HA MET A 37 -7.089 4.983 -10.817 1.00 0.00 H new ATOM 0 HB2 MET A 37 -7.549 2.245 -9.602 1.00 0.00 H new ATOM 0 HB3 MET A 37 -7.767 2.731 -11.272 1.00 0.00 H new ATOM 0 HG2 MET A 37 -5.127 2.475 -9.794 1.00 0.00 H new ATOM 0 HG3 MET A 37 -5.740 1.396 -11.031 1.00 0.00 H new ATOM 0 HE1 MET A 37 -2.662 3.290 -12.683 1.00 0.00 H new ATOM 0 HE2 MET A 37 -2.846 2.901 -10.956 1.00 0.00 H new ATOM 0 HE3 MET A 37 -3.312 1.708 -12.192 1.00 0.00 H new ATOM 566 N LYS A 38 -9.470 5.289 -10.184 1.00 0.00 N ATOM 567 CA LYS A 38 -10.830 5.621 -9.780 1.00 0.00 C ATOM 568 C LYS A 38 -11.643 4.352 -9.532 1.00 0.00 C ATOM 569 O LYS A 38 -11.559 3.391 -10.302 1.00 0.00 O ATOM 570 CB LYS A 38 -11.498 6.481 -10.858 1.00 0.00 C ATOM 571 CG LYS A 38 -12.846 7.060 -10.447 1.00 0.00 C ATOM 572 CD LYS A 38 -12.707 8.091 -9.338 1.00 0.00 C ATOM 573 CE LYS A 38 -14.034 8.771 -9.045 1.00 0.00 C ATOM 574 NZ LYS A 38 -15.026 7.835 -8.451 1.00 0.00 N ATOM 0 H LYS A 38 -9.219 5.617 -11.117 1.00 0.00 H new ATOM 0 HA LYS A 38 -10.790 6.187 -8.849 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.828 7.300 -11.121 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -11.632 5.878 -11.756 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -13.322 7.520 -11.313 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -13.500 6.255 -10.114 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -12.336 7.608 -8.434 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -11.968 8.839 -9.625 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -13.870 9.605 -8.363 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -14.438 9.188 -9.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -15.898 8.353 -8.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -15.242 7.080 -9.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -14.633 7.417 -7.584 1.00 0.00 H new ATOM 588 N GLY A 39 -12.413 4.350 -8.451 1.00 0.00 N ATOM 589 CA GLY A 39 -13.225 3.198 -8.118 1.00 0.00 C ATOM 590 C GLY A 39 -12.584 2.344 -7.045 1.00 0.00 C ATOM 591 O GLY A 39 -13.230 1.469 -6.464 1.00 0.00 O ATOM 0 H GLY A 39 -12.489 5.129 -7.797 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -14.206 3.531 -7.778 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -13.385 2.596 -9.013 1.00 0.00 H new ATOM 595 N GLY A 40 -11.313 2.602 -6.778 1.00 0.00 N ATOM 596 CA GLY A 40 -10.594 1.842 -5.778 1.00 0.00 C ATOM 597 C GLY A 40 -10.885 2.306 -4.369 1.00 0.00 C ATOM 598 O GLY A 40 -11.388 3.410 -4.161 1.00 0.00 O ATOM 0 H GLY A 40 -10.764 3.328 -7.239 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -10.857 0.788 -5.870 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -9.524 1.921 -5.968 1.00 0.00 H new ATOM 602 N ALA A 41 -10.555 1.461 -3.401 1.00 0.00 N ATOM 603 CA ALA A 41 -10.776 1.766 -1.992 1.00 0.00 C ATOM 604 C ALA A 41 -10.005 3.016 -1.559 1.00 0.00 C ATOM 605 O ALA A 41 -10.505 3.822 -0.775 1.00 0.00 O ATOM 606 CB ALA A 41 -10.379 0.573 -1.135 1.00 0.00 C ATOM 0 H ALA A 41 -10.129 0.549 -3.568 1.00 0.00 H new ATOM 0 HA ALA A 41 -11.837 1.971 -1.853 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -10.547 0.808 -0.084 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -10.981 -0.292 -1.414 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -9.324 0.347 -1.292 1.00 0.00 H new ATOM 612 N VAL A 42 -8.795 3.183 -2.083 1.00 0.00 N ATOM 613 CA VAL A 42 -7.972 4.336 -1.738 1.00 0.00 C ATOM 614 C VAL A 42 -8.517 5.603 -2.390 1.00 0.00 C ATOM 615 O VAL A 42 -8.431 6.700 -1.827 1.00 0.00 O ATOM 616 CB VAL A 42 -6.507 4.132 -2.164 1.00 0.00 C ATOM 617 CG1 VAL A 42 -5.660 5.327 -1.760 1.00 0.00 C ATOM 618 CG2 VAL A 42 -5.954 2.857 -1.553 1.00 0.00 C ATOM 0 H VAL A 42 -8.364 2.538 -2.745 1.00 0.00 H new ATOM 0 HA VAL A 42 -8.007 4.443 -0.654 1.00 0.00 H new ATOM 0 HB VAL A 42 -6.472 4.041 -3.250 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -4.628 5.163 -2.070 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -6.045 6.226 -2.242 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.698 5.451 -0.678 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -4.917 2.725 -1.863 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -6.003 2.924 -0.466 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -6.545 2.006 -1.891 1.00 0.00 H new ATOM 628 N ALA A 43 -9.099 5.440 -3.571 1.00 0.00 N ATOM 629 CA ALA A 43 -9.668 6.561 -4.303 1.00 0.00 C ATOM 630 C ALA A 43 -10.869 7.125 -3.556 1.00 0.00 C ATOM 631 O ALA A 43 -11.198 8.303 -3.682 1.00 0.00 O ATOM 632 CB ALA A 43 -10.069 6.133 -5.706 1.00 0.00 C ATOM 0 H ALA A 43 -9.189 4.540 -4.042 1.00 0.00 H new ATOM 0 HA ALA A 43 -8.911 7.341 -4.384 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -10.493 6.984 -6.239 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -9.191 5.771 -6.241 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -10.811 5.337 -5.645 1.00 0.00 H new ATOM 638 N ALA A 44 -11.501 6.277 -2.757 1.00 0.00 N ATOM 639 CA ALA A 44 -12.668 6.675 -1.984 1.00 0.00 C ATOM 640 C ALA A 44 -12.272 7.338 -0.666 1.00 0.00 C ATOM 641 O ALA A 44 -13.128 7.649 0.161 1.00 0.00 O ATOM 642 CB ALA A 44 -13.563 5.472 -1.725 1.00 0.00 C ATOM 0 H ALA A 44 -11.223 5.304 -2.627 1.00 0.00 H new ATOM 0 HA ALA A 44 -13.220 7.410 -2.570 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -14.432 5.783 -1.146 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -13.892 5.052 -2.675 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -13.007 4.718 -1.168 1.00 0.00 H new ATOM 648 N ASP A 45 -10.977 7.542 -0.457 1.00 0.00 N ATOM 649 CA ASP A 45 -10.505 8.186 0.766 1.00 0.00 C ATOM 650 C ASP A 45 -10.180 9.653 0.506 1.00 0.00 C ATOM 651 O ASP A 45 -10.990 10.535 0.795 1.00 0.00 O ATOM 652 CB ASP A 45 -9.281 7.468 1.332 1.00 0.00 C ATOM 653 CG ASP A 45 -8.891 8.006 2.695 1.00 0.00 C ATOM 654 OD1 ASP A 45 -9.426 7.513 3.710 1.00 0.00 O ATOM 655 OD2 ASP A 45 -8.062 8.933 2.758 1.00 0.00 O ATOM 0 H ASP A 45 -10.240 7.275 -1.110 1.00 0.00 H new ATOM 0 HA ASP A 45 -11.305 8.127 1.504 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -9.489 6.401 1.409 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -8.443 7.581 0.644 1.00 0.00 H new ATOM 660 N GLY A 46 -9.001 9.915 -0.046 1.00 0.00 N ATOM 661 CA GLY A 46 -8.613 11.280 -0.344 1.00 0.00 C ATOM 662 C GLY A 46 -7.309 11.698 0.312 1.00 0.00 C ATOM 663 O GLY A 46 -6.618 12.580 -0.194 1.00 0.00 O ATOM 0 H GLY A 46 -8.308 9.208 -0.292 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -8.520 11.395 -1.424 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -9.406 11.954 -0.019 1.00 0.00 H new ATOM 667 N ARG A 47 -6.964 11.068 1.431 1.00 0.00 N ATOM 668 CA ARG A 47 -5.742 11.415 2.152 1.00 0.00 C ATOM 669 C ARG A 47 -4.508 10.831 1.474 1.00 0.00 C ATOM 670 O ARG A 47 -3.449 11.463 1.442 1.00 0.00 O ATOM 671 CB ARG A 47 -5.829 10.945 3.604 1.00 0.00 C ATOM 672 CG ARG A 47 -6.822 11.746 4.429 1.00 0.00 C ATOM 673 CD ARG A 47 -7.142 11.063 5.744 1.00 0.00 C ATOM 674 NE ARG A 47 -7.888 9.819 5.556 1.00 0.00 N ATOM 675 CZ ARG A 47 -8.426 9.119 6.553 1.00 0.00 C ATOM 676 NH1 ARG A 47 -8.316 9.552 7.804 1.00 0.00 N ATOM 677 NH2 ARG A 47 -9.077 7.992 6.292 1.00 0.00 N ATOM 0 H ARG A 47 -7.509 10.319 1.857 1.00 0.00 H new ATOM 0 HA ARG A 47 -5.644 12.500 2.139 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -6.114 9.893 3.623 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -4.843 11.016 4.063 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -6.415 12.738 4.624 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -7.740 11.885 3.858 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -6.215 10.851 6.276 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -7.722 11.740 6.371 1.00 0.00 H new ATOM 0 HE ARG A 47 -8.003 9.467 4.606 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -7.819 10.421 8.001 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -8.728 9.016 8.567 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -9.164 7.664 5.330 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -9.490 7.454 7.053 1.00 0.00 H new ATOM 691 N ILE A 48 -4.635 9.621 0.947 1.00 0.00 N ATOM 692 CA ILE A 48 -3.523 8.982 0.259 1.00 0.00 C ATOM 693 C ILE A 48 -3.433 9.511 -1.167 1.00 0.00 C ATOM 694 O ILE A 48 -4.452 9.651 -1.848 1.00 0.00 O ATOM 695 CB ILE A 48 -3.659 7.442 0.237 1.00 0.00 C ATOM 696 CG1 ILE A 48 -3.800 6.906 1.663 1.00 0.00 C ATOM 697 CG2 ILE A 48 -2.456 6.807 -0.452 1.00 0.00 C ATOM 698 CD1 ILE A 48 -4.017 5.412 1.736 1.00 0.00 C ATOM 0 H ILE A 48 -5.490 9.066 0.982 1.00 0.00 H new ATOM 0 HA ILE A 48 -2.612 9.223 0.807 1.00 0.00 H new ATOM 0 HB ILE A 48 -4.554 7.180 -0.327 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -2.903 7.161 2.227 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -4.636 7.409 2.149 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -2.570 5.723 -0.458 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -2.391 7.170 -1.478 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -1.546 7.073 0.086 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -4.108 5.108 2.779 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -4.930 5.150 1.201 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -3.170 4.899 1.281 1.00 0.00 H new ATOM 710 N GLU A 49 -2.223 9.814 -1.607 1.00 0.00 N ATOM 711 CA GLU A 49 -2.002 10.345 -2.945 1.00 0.00 C ATOM 712 C GLU A 49 -0.683 9.824 -3.518 1.00 0.00 C ATOM 713 O GLU A 49 0.136 9.264 -2.787 1.00 0.00 O ATOM 714 CB GLU A 49 -1.992 11.879 -2.895 1.00 0.00 C ATOM 715 CG GLU A 49 -0.737 12.456 -2.272 1.00 0.00 C ATOM 716 CD GLU A 49 -0.917 13.893 -1.849 1.00 0.00 C ATOM 717 OE1 GLU A 49 -0.690 14.795 -2.679 1.00 0.00 O ATOM 718 OE2 GLU A 49 -1.295 14.128 -0.680 1.00 0.00 O ATOM 0 H GLU A 49 -1.373 9.701 -1.055 1.00 0.00 H new ATOM 0 HA GLU A 49 -2.811 10.013 -3.596 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -2.097 12.268 -3.908 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -2.859 12.222 -2.330 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -0.455 11.857 -1.406 1.00 0.00 H new ATOM 0 HG3 GLU A 49 0.084 12.390 -2.986 1.00 0.00 H new ATOM 725 N PRO A 50 -0.473 9.963 -4.842 1.00 0.00 N ATOM 726 CA PRO A 50 0.770 9.530 -5.487 1.00 0.00 C ATOM 727 C PRO A 50 1.987 10.185 -4.846 1.00 0.00 C ATOM 728 O PRO A 50 2.062 11.409 -4.737 1.00 0.00 O ATOM 729 CB PRO A 50 0.604 9.996 -6.934 1.00 0.00 C ATOM 730 CG PRO A 50 -0.867 10.086 -7.136 1.00 0.00 C ATOM 731 CD PRO A 50 -1.432 10.524 -5.815 1.00 0.00 C ATOM 0 HA PRO A 50 0.934 8.456 -5.398 1.00 0.00 H new ATOM 0 HB2 PRO A 50 1.086 10.960 -7.097 1.00 0.00 H new ATOM 0 HB3 PRO A 50 1.057 9.291 -7.631 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -1.111 10.800 -7.923 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -1.280 9.124 -7.439 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -1.493 11.610 -5.742 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -2.439 10.137 -5.658 1.00 0.00 H new ATOM 739 N GLY A 51 2.933 9.366 -4.414 1.00 0.00 N ATOM 740 CA GLY A 51 4.124 9.882 -3.770 1.00 0.00 C ATOM 741 C GLY A 51 4.221 9.425 -2.330 1.00 0.00 C ATOM 742 O GLY A 51 5.281 9.515 -1.709 1.00 0.00 O ATOM 0 H GLY A 51 2.898 8.350 -4.498 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.007 9.551 -4.318 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.115 10.971 -3.807 1.00 0.00 H new ATOM 746 N ASP A 52 3.105 8.936 -1.804 1.00 0.00 N ATOM 747 CA ASP A 52 3.054 8.444 -0.431 1.00 0.00 C ATOM 748 C ASP A 52 3.816 7.128 -0.322 1.00 0.00 C ATOM 749 O ASP A 52 3.757 6.289 -1.224 1.00 0.00 O ATOM 750 CB ASP A 52 1.605 8.236 0.026 1.00 0.00 C ATOM 751 CG ASP A 52 0.844 9.537 0.246 1.00 0.00 C ATOM 752 OD1 ASP A 52 1.474 10.613 0.298 1.00 0.00 O ATOM 753 OD2 ASP A 52 -0.398 9.495 0.366 1.00 0.00 O ATOM 0 H ASP A 52 2.221 8.869 -2.308 1.00 0.00 H new ATOM 0 HA ASP A 52 3.517 9.191 0.214 1.00 0.00 H new ATOM 0 HB2 ASP A 52 1.080 7.639 -0.719 1.00 0.00 H new ATOM 0 HB3 ASP A 52 1.604 7.662 0.953 1.00 0.00 H new ATOM 758 N MET A 53 4.542 6.953 0.769 1.00 0.00 N ATOM 759 CA MET A 53 5.309 5.734 0.989 1.00 0.00 C ATOM 760 C MET A 53 4.534 4.781 1.891 1.00 0.00 C ATOM 761 O MET A 53 4.035 5.180 2.938 1.00 0.00 O ATOM 762 CB MET A 53 6.666 6.074 1.614 1.00 0.00 C ATOM 763 CG MET A 53 7.534 4.858 1.910 1.00 0.00 C ATOM 764 SD MET A 53 9.152 5.309 2.571 1.00 0.00 S ATOM 765 CE MET A 53 9.857 3.691 2.888 1.00 0.00 C ATOM 0 H MET A 53 4.618 7.640 1.519 1.00 0.00 H new ATOM 0 HA MET A 53 5.478 5.244 0.030 1.00 0.00 H new ATOM 0 HB2 MET A 53 7.208 6.739 0.942 1.00 0.00 H new ATOM 0 HB3 MET A 53 6.500 6.623 2.541 1.00 0.00 H new ATOM 0 HG2 MET A 53 7.020 4.214 2.624 1.00 0.00 H new ATOM 0 HG3 MET A 53 7.667 4.279 0.996 1.00 0.00 H new ATOM 0 HE1 MET A 53 10.106 3.604 3.945 1.00 0.00 H new ATOM 0 HE2 MET A 53 9.134 2.920 2.621 1.00 0.00 H new ATOM 0 HE3 MET A 53 10.760 3.564 2.291 1.00 0.00 H new ATOM 775 N LEU A 54 4.419 3.526 1.479 1.00 0.00 N ATOM 776 CA LEU A 54 3.698 2.534 2.266 1.00 0.00 C ATOM 777 C LEU A 54 4.626 1.891 3.287 1.00 0.00 C ATOM 778 O LEU A 54 5.682 1.361 2.934 1.00 0.00 O ATOM 779 CB LEU A 54 3.093 1.459 1.360 1.00 0.00 C ATOM 780 CG LEU A 54 1.697 1.771 0.815 1.00 0.00 C ATOM 781 CD1 LEU A 54 1.272 0.706 -0.186 1.00 0.00 C ATOM 782 CD2 LEU A 54 0.685 1.863 1.949 1.00 0.00 C ATOM 0 H LEU A 54 4.814 3.171 0.608 1.00 0.00 H new ATOM 0 HA LEU A 54 2.889 3.041 2.792 1.00 0.00 H new ATOM 0 HB2 LEU A 54 3.766 1.297 0.518 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.047 0.523 1.916 1.00 0.00 H new ATOM 0 HG LEU A 54 1.733 2.735 0.308 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.277 0.940 -0.566 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.980 0.682 -1.014 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.253 -0.267 0.304 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.301 2.085 1.540 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.650 0.914 2.484 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.980 2.656 2.636 1.00 0.00 H new ATOM 794 N LEU A 55 4.243 1.954 4.555 1.00 0.00 N ATOM 795 CA LEU A 55 5.051 1.376 5.617 1.00 0.00 C ATOM 796 C LEU A 55 4.399 0.116 6.181 1.00 0.00 C ATOM 797 O LEU A 55 4.796 -1.002 5.853 1.00 0.00 O ATOM 798 CB LEU A 55 5.272 2.396 6.740 1.00 0.00 C ATOM 799 CG LEU A 55 5.737 3.783 6.288 1.00 0.00 C ATOM 800 CD1 LEU A 55 5.895 4.702 7.489 1.00 0.00 C ATOM 801 CD2 LEU A 55 7.047 3.686 5.519 1.00 0.00 C ATOM 0 H LEU A 55 3.381 2.398 4.871 1.00 0.00 H new ATOM 0 HA LEU A 55 6.016 1.103 5.189 1.00 0.00 H new ATOM 0 HB2 LEU A 55 4.340 2.507 7.295 1.00 0.00 H new ATOM 0 HB3 LEU A 55 6.010 1.993 7.434 1.00 0.00 H new ATOM 0 HG LEU A 55 4.980 4.201 5.624 1.00 0.00 H new ATOM 0 HD11 LEU A 55 6.226 5.685 7.154 1.00 0.00 H new ATOM 0 HD12 LEU A 55 4.938 4.797 8.003 1.00 0.00 H new ATOM 0 HD13 LEU A 55 6.634 4.284 8.172 1.00 0.00 H new ATOM 0 HD21 LEU A 55 7.360 4.682 5.207 1.00 0.00 H new ATOM 0 HD22 LEU A 55 7.813 3.249 6.159 1.00 0.00 H new ATOM 0 HD23 LEU A 55 6.907 3.057 4.640 1.00 0.00 H new ATOM 813 N GLN A 56 3.387 0.306 7.016 1.00 0.00 N ATOM 814 CA GLN A 56 2.689 -0.808 7.633 1.00 0.00 C ATOM 815 C GLN A 56 1.349 -1.057 6.954 1.00 0.00 C ATOM 816 O GLN A 56 0.532 -0.145 6.807 1.00 0.00 O ATOM 817 CB GLN A 56 2.473 -0.549 9.128 1.00 0.00 C ATOM 818 CG GLN A 56 1.729 -1.673 9.834 1.00 0.00 C ATOM 819 CD GLN A 56 1.013 -1.228 11.091 1.00 0.00 C ATOM 820 OE1 GLN A 56 -0.045 -1.762 11.431 1.00 0.00 O ATOM 821 NE2 GLN A 56 1.579 -0.259 11.792 1.00 0.00 N ATOM 0 H GLN A 56 3.032 1.225 7.281 1.00 0.00 H new ATOM 0 HA GLN A 56 3.310 -1.696 7.513 1.00 0.00 H new ATOM 0 HB2 GLN A 56 3.441 -0.406 9.608 1.00 0.00 H new ATOM 0 HB3 GLN A 56 1.916 0.380 9.252 1.00 0.00 H new ATOM 0 HG2 GLN A 56 1.003 -2.106 9.146 1.00 0.00 H new ATOM 0 HG3 GLN A 56 2.436 -2.462 10.089 1.00 0.00 H new ATOM 0 HE21 GLN A 56 2.455 0.155 11.474 1.00 0.00 H new ATOM 0 HE22 GLN A 56 1.139 0.074 12.650 1.00 0.00 H new ATOM 830 N VAL A 57 1.137 -2.294 6.541 1.00 0.00 N ATOM 831 CA VAL A 57 -0.099 -2.697 5.896 1.00 0.00 C ATOM 832 C VAL A 57 -0.702 -3.857 6.673 1.00 0.00 C ATOM 833 O VAL A 57 -0.317 -5.009 6.484 1.00 0.00 O ATOM 834 CB VAL A 57 0.125 -3.107 4.422 1.00 0.00 C ATOM 835 CG1 VAL A 57 -1.171 -3.613 3.803 1.00 0.00 C ATOM 836 CG2 VAL A 57 0.686 -1.936 3.624 1.00 0.00 C ATOM 0 H VAL A 57 1.817 -3.047 6.644 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.780 -1.846 5.894 1.00 0.00 H new ATOM 0 HB VAL A 57 0.852 -3.919 4.395 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -0.992 -3.896 2.766 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -1.526 -4.480 4.360 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.923 -2.825 3.839 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.838 -2.241 2.589 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.016 -1.103 3.658 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.638 -1.625 4.054 1.00 0.00 H new ATOM 846 N ASN A 58 -1.629 -3.535 7.567 1.00 0.00 N ATOM 847 CA ASN A 58 -2.284 -4.535 8.407 1.00 0.00 C ATOM 848 C ASN A 58 -1.263 -5.280 9.264 1.00 0.00 C ATOM 849 O ASN A 58 -0.968 -6.452 9.019 1.00 0.00 O ATOM 850 CB ASN A 58 -3.097 -5.530 7.570 1.00 0.00 C ATOM 851 CG ASN A 58 -4.585 -5.249 7.612 1.00 0.00 C ATOM 852 OD1 ASN A 58 -5.012 -4.096 7.672 1.00 0.00 O ATOM 853 ND2 ASN A 58 -5.387 -6.302 7.594 1.00 0.00 N ATOM 0 H ASN A 58 -1.948 -2.580 7.731 1.00 0.00 H new ATOM 0 HA ASN A 58 -2.973 -4.004 9.064 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -2.754 -5.495 6.536 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -2.912 -6.541 7.933 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -6.398 -6.174 7.630 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -4.994 -7.242 7.544 1.00 0.00 H new ATOM 860 N ASP A 59 -0.699 -4.558 10.238 1.00 0.00 N ATOM 861 CA ASP A 59 0.283 -5.093 11.196 1.00 0.00 C ATOM 862 C ASP A 59 1.688 -5.215 10.611 1.00 0.00 C ATOM 863 O ASP A 59 2.646 -4.709 11.196 1.00 0.00 O ATOM 864 CB ASP A 59 -0.153 -6.448 11.762 1.00 0.00 C ATOM 865 CG ASP A 59 -1.385 -6.346 12.631 1.00 0.00 C ATOM 866 OD1 ASP A 59 -1.526 -5.342 13.359 1.00 0.00 O ATOM 867 OD2 ASP A 59 -2.233 -7.262 12.583 1.00 0.00 O ATOM 0 H ASP A 59 -0.913 -3.572 10.388 1.00 0.00 H new ATOM 0 HA ASP A 59 0.321 -4.362 12.004 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -0.349 -7.135 10.939 1.00 0.00 H new ATOM 0 HB3 ASP A 59 0.664 -6.874 12.345 1.00 0.00 H new ATOM 872 N VAL A 60 1.816 -5.877 9.470 1.00 0.00 N ATOM 873 CA VAL A 60 3.125 -6.071 8.852 1.00 0.00 C ATOM 874 C VAL A 60 3.716 -4.751 8.360 1.00 0.00 C ATOM 875 O VAL A 60 3.006 -3.892 7.835 1.00 0.00 O ATOM 876 CB VAL A 60 3.084 -7.091 7.687 1.00 0.00 C ATOM 877 CG1 VAL A 60 2.482 -8.406 8.152 1.00 0.00 C ATOM 878 CG2 VAL A 60 2.322 -6.547 6.489 1.00 0.00 C ATOM 0 H VAL A 60 1.037 -6.287 8.955 1.00 0.00 H new ATOM 0 HA VAL A 60 3.768 -6.477 9.633 1.00 0.00 H new ATOM 0 HB VAL A 60 4.111 -7.269 7.368 1.00 0.00 H new ATOM 0 HG11 VAL A 60 2.461 -9.111 7.321 1.00 0.00 H new ATOM 0 HG12 VAL A 60 3.086 -8.817 8.961 1.00 0.00 H new ATOM 0 HG13 VAL A 60 1.466 -8.235 8.509 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.316 -7.292 5.693 1.00 0.00 H new ATOM 0 HG22 VAL A 60 1.297 -6.320 6.782 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.806 -5.638 6.132 1.00 0.00 H new ATOM 888 N ASN A 61 5.019 -4.595 8.555 1.00 0.00 N ATOM 889 CA ASN A 61 5.734 -3.391 8.143 1.00 0.00 C ATOM 890 C ASN A 61 6.761 -3.742 7.069 1.00 0.00 C ATOM 891 O ASN A 61 7.412 -4.780 7.152 1.00 0.00 O ATOM 892 CB ASN A 61 6.416 -2.757 9.362 1.00 0.00 C ATOM 893 CG ASN A 61 7.120 -1.449 9.055 1.00 0.00 C ATOM 894 OD1 ASN A 61 6.821 -0.779 8.069 1.00 0.00 O ATOM 895 ND2 ASN A 61 8.057 -1.073 9.908 1.00 0.00 N ATOM 0 H ASN A 61 5.610 -5.296 9.002 1.00 0.00 H new ATOM 0 HA ASN A 61 5.030 -2.672 7.724 1.00 0.00 H new ATOM 0 HB2 ASN A 61 5.669 -2.584 10.136 1.00 0.00 H new ATOM 0 HB3 ASN A 61 7.140 -3.462 9.770 1.00 0.00 H new ATOM 0 HD21 ASN A 61 8.561 -0.199 9.759 1.00 0.00 H new ATOM 0 HD22 ASN A 61 8.276 -1.657 10.715 1.00 0.00 H new ATOM 902 N PHE A 62 6.901 -2.887 6.064 1.00 0.00 N ATOM 903 CA PHE A 62 7.831 -3.149 4.970 1.00 0.00 C ATOM 904 C PHE A 62 9.070 -2.260 5.037 1.00 0.00 C ATOM 905 O PHE A 62 9.881 -2.256 4.109 1.00 0.00 O ATOM 906 CB PHE A 62 7.127 -2.943 3.628 1.00 0.00 C ATOM 907 CG PHE A 62 5.871 -3.752 3.464 1.00 0.00 C ATOM 908 CD1 PHE A 62 5.881 -5.120 3.675 1.00 0.00 C ATOM 909 CD2 PHE A 62 4.683 -3.142 3.096 1.00 0.00 C ATOM 910 CE1 PHE A 62 4.728 -5.866 3.523 1.00 0.00 C ATOM 911 CE2 PHE A 62 3.529 -3.882 2.940 1.00 0.00 C ATOM 912 CZ PHE A 62 3.551 -5.246 3.154 1.00 0.00 C ATOM 0 H PHE A 62 6.386 -2.010 5.982 1.00 0.00 H new ATOM 0 HA PHE A 62 8.161 -4.183 5.067 1.00 0.00 H new ATOM 0 HB2 PHE A 62 6.883 -1.887 3.516 1.00 0.00 H new ATOM 0 HB3 PHE A 62 7.818 -3.198 2.824 1.00 0.00 H new ATOM 0 HD1 PHE A 62 6.800 -5.610 3.962 1.00 0.00 H new ATOM 0 HD2 PHE A 62 4.660 -2.075 2.929 1.00 0.00 H new ATOM 0 HE1 PHE A 62 4.747 -6.932 3.693 1.00 0.00 H new ATOM 0 HE2 PHE A 62 2.609 -3.395 2.651 1.00 0.00 H new ATOM 0 HZ PHE A 62 2.649 -5.827 3.033 1.00 0.00 H new ATOM 922 N GLU A 63 9.229 -1.524 6.129 1.00 0.00 N ATOM 923 CA GLU A 63 10.378 -0.634 6.290 1.00 0.00 C ATOM 924 C GLU A 63 11.701 -1.391 6.203 1.00 0.00 C ATOM 925 O GLU A 63 12.669 -0.900 5.624 1.00 0.00 O ATOM 926 CB GLU A 63 10.311 0.085 7.631 1.00 0.00 C ATOM 927 CG GLU A 63 9.396 1.293 7.644 1.00 0.00 C ATOM 928 CD GLU A 63 9.473 2.053 8.950 1.00 0.00 C ATOM 929 OE1 GLU A 63 9.242 1.440 10.018 1.00 0.00 O ATOM 930 OE2 GLU A 63 9.770 3.263 8.924 1.00 0.00 O ATOM 0 H GLU A 63 8.580 -1.523 6.916 1.00 0.00 H new ATOM 0 HA GLU A 63 10.336 0.089 5.475 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.975 -0.620 8.392 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.316 0.401 7.911 1.00 0.00 H new ATOM 0 HG2 GLU A 63 9.663 1.958 6.822 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.369 0.971 7.473 1.00 0.00 H new ATOM 937 N ASN A 64 11.738 -2.585 6.776 1.00 0.00 N ATOM 938 CA ASN A 64 12.948 -3.400 6.774 1.00 0.00 C ATOM 939 C ASN A 64 12.784 -4.618 5.865 1.00 0.00 C ATOM 940 O ASN A 64 13.341 -5.687 6.121 1.00 0.00 O ATOM 941 CB ASN A 64 13.269 -3.845 8.204 1.00 0.00 C ATOM 942 CG ASN A 64 14.712 -4.277 8.386 1.00 0.00 C ATOM 943 OD1 ASN A 64 15.604 -3.853 7.649 1.00 0.00 O ATOM 944 ND2 ASN A 64 14.948 -5.117 9.381 1.00 0.00 N ATOM 0 H ASN A 64 10.943 -3.013 7.250 1.00 0.00 H new ATOM 0 HA ASN A 64 13.772 -2.801 6.388 1.00 0.00 H new ATOM 0 HB2 ASN A 64 13.053 -3.026 8.890 1.00 0.00 H new ATOM 0 HB3 ASN A 64 12.612 -4.671 8.477 1.00 0.00 H new ATOM 0 HD21 ASN A 64 15.899 -5.439 9.562 1.00 0.00 H new ATOM 0 HD22 ASN A 64 14.179 -5.443 9.967 1.00 0.00 H new ATOM 951 N MET A 65 12.010 -4.455 4.801 1.00 0.00 N ATOM 952 CA MET A 65 11.776 -5.538 3.854 1.00 0.00 C ATOM 953 C MET A 65 12.023 -5.057 2.433 1.00 0.00 C ATOM 954 O MET A 65 11.838 -3.877 2.130 1.00 0.00 O ATOM 955 CB MET A 65 10.346 -6.068 3.979 1.00 0.00 C ATOM 956 CG MET A 65 10.113 -6.928 5.212 1.00 0.00 C ATOM 957 SD MET A 65 8.373 -7.337 5.458 1.00 0.00 S ATOM 958 CE MET A 65 8.006 -8.204 3.935 1.00 0.00 C ATOM 0 H MET A 65 11.533 -3.583 4.571 1.00 0.00 H new ATOM 0 HA MET A 65 12.470 -6.347 4.084 1.00 0.00 H new ATOM 0 HB2 MET A 65 9.657 -5.224 4.001 1.00 0.00 H new ATOM 0 HB3 MET A 65 10.106 -6.652 3.090 1.00 0.00 H new ATOM 0 HG2 MET A 65 10.689 -7.849 5.122 1.00 0.00 H new ATOM 0 HG3 MET A 65 10.486 -6.403 6.091 1.00 0.00 H new ATOM 0 HE1 MET A 65 7.423 -9.098 4.157 1.00 0.00 H new ATOM 0 HE2 MET A 65 7.434 -7.552 3.274 1.00 0.00 H new ATOM 0 HE3 MET A 65 8.937 -8.490 3.446 1.00 0.00 H new ATOM 968 N SER A 66 12.452 -5.966 1.572 1.00 0.00 N ATOM 969 CA SER A 66 12.718 -5.639 0.183 1.00 0.00 C ATOM 970 C SER A 66 11.415 -5.306 -0.544 1.00 0.00 C ATOM 971 O SER A 66 10.345 -5.790 -0.163 1.00 0.00 O ATOM 972 CB SER A 66 13.415 -6.820 -0.490 1.00 0.00 C ATOM 973 OG SER A 66 14.220 -7.533 0.441 1.00 0.00 O ATOM 0 H SER A 66 12.624 -6.942 1.814 1.00 0.00 H new ATOM 0 HA SER A 66 13.367 -4.764 0.137 1.00 0.00 H new ATOM 0 HB2 SER A 66 12.670 -7.490 -0.920 1.00 0.00 H new ATOM 0 HB3 SER A 66 14.034 -6.461 -1.312 1.00 0.00 H new ATOM 0 HG SER A 66 14.655 -8.286 -0.012 1.00 0.00 H new ATOM 979 N ASN A 67 11.509 -4.483 -1.585 1.00 0.00 N ATOM 980 CA ASN A 67 10.335 -4.079 -2.360 1.00 0.00 C ATOM 981 C ASN A 67 9.593 -5.297 -2.887 1.00 0.00 C ATOM 982 O ASN A 67 8.364 -5.359 -2.838 1.00 0.00 O ATOM 983 CB ASN A 67 10.731 -3.186 -3.540 1.00 0.00 C ATOM 984 CG ASN A 67 11.543 -1.968 -3.136 1.00 0.00 C ATOM 985 OD1 ASN A 67 11.446 -1.475 -2.012 1.00 0.00 O ATOM 986 ND2 ASN A 67 12.346 -1.467 -4.062 1.00 0.00 N ATOM 0 H ASN A 67 12.387 -4.081 -1.913 1.00 0.00 H new ATOM 0 HA ASN A 67 9.683 -3.517 -1.691 1.00 0.00 H new ATOM 0 HB2 ASN A 67 11.307 -3.775 -4.254 1.00 0.00 H new ATOM 0 HB3 ASN A 67 9.828 -2.856 -4.054 1.00 0.00 H new ATOM 0 HD21 ASN A 67 12.912 -0.644 -3.855 1.00 0.00 H new ATOM 0 HD22 ASN A 67 12.399 -1.904 -4.982 1.00 0.00 H new ATOM 993 N ASP A 68 10.355 -6.265 -3.389 1.00 0.00 N ATOM 994 CA ASP A 68 9.792 -7.499 -3.923 1.00 0.00 C ATOM 995 C ASP A 68 8.920 -8.179 -2.877 1.00 0.00 C ATOM 996 O ASP A 68 7.757 -8.494 -3.128 1.00 0.00 O ATOM 997 CB ASP A 68 10.910 -8.449 -4.359 1.00 0.00 C ATOM 998 CG ASP A 68 11.328 -8.252 -5.801 1.00 0.00 C ATOM 999 OD1 ASP A 68 10.450 -8.274 -6.689 1.00 0.00 O ATOM 1000 OD2 ASP A 68 12.538 -8.078 -6.058 1.00 0.00 O ATOM 0 H ASP A 68 11.373 -6.216 -3.437 1.00 0.00 H new ATOM 0 HA ASP A 68 9.179 -7.250 -4.789 1.00 0.00 H new ATOM 0 HB2 ASP A 68 11.776 -8.303 -3.713 1.00 0.00 H new ATOM 0 HB3 ASP A 68 10.579 -9.478 -4.220 1.00 0.00 H new ATOM 1005 N ASP A 69 9.490 -8.365 -1.693 1.00 0.00 N ATOM 1006 CA ASP A 69 8.786 -9.012 -0.591 1.00 0.00 C ATOM 1007 C ASP A 69 7.581 -8.187 -0.159 1.00 0.00 C ATOM 1008 O ASP A 69 6.521 -8.737 0.143 1.00 0.00 O ATOM 1009 CB ASP A 69 9.726 -9.225 0.597 1.00 0.00 C ATOM 1010 CG ASP A 69 10.372 -10.596 0.598 1.00 0.00 C ATOM 1011 OD1 ASP A 69 9.826 -11.524 -0.039 1.00 0.00 O ATOM 1012 OD2 ASP A 69 11.427 -10.758 1.244 1.00 0.00 O ATOM 0 H ASP A 69 10.442 -8.076 -1.470 1.00 0.00 H new ATOM 0 HA ASP A 69 8.435 -9.983 -0.941 1.00 0.00 H new ATOM 0 HB2 ASP A 69 10.504 -8.462 0.580 1.00 0.00 H new ATOM 0 HB3 ASP A 69 9.168 -9.091 1.524 1.00 0.00 H new ATOM 1017 N ALA A 70 7.750 -6.870 -0.142 1.00 0.00 N ATOM 1018 CA ALA A 70 6.681 -5.958 0.247 1.00 0.00 C ATOM 1019 C ALA A 70 5.447 -6.169 -0.623 1.00 0.00 C ATOM 1020 O ALA A 70 4.333 -6.304 -0.116 1.00 0.00 O ATOM 1021 CB ALA A 70 7.158 -4.518 0.155 1.00 0.00 C ATOM 0 H ALA A 70 8.623 -6.408 -0.395 1.00 0.00 H new ATOM 0 HA ALA A 70 6.407 -6.169 1.281 1.00 0.00 H new ATOM 0 HB1 ALA A 70 6.350 -3.848 0.448 1.00 0.00 H new ATOM 0 HB2 ALA A 70 8.009 -4.373 0.821 1.00 0.00 H new ATOM 0 HB3 ALA A 70 7.458 -4.299 -0.870 1.00 0.00 H new ATOM 1027 N VAL A 71 5.658 -6.209 -1.934 1.00 0.00 N ATOM 1028 CA VAL A 71 4.570 -6.418 -2.876 1.00 0.00 C ATOM 1029 C VAL A 71 3.989 -7.820 -2.709 1.00 0.00 C ATOM 1030 O VAL A 71 2.772 -8.000 -2.727 1.00 0.00 O ATOM 1031 CB VAL A 71 5.033 -6.213 -4.338 1.00 0.00 C ATOM 1032 CG1 VAL A 71 3.905 -6.510 -5.315 1.00 0.00 C ATOM 1033 CG2 VAL A 71 5.549 -4.795 -4.541 1.00 0.00 C ATOM 0 H VAL A 71 6.575 -6.099 -2.367 1.00 0.00 H new ATOM 0 HA VAL A 71 3.800 -5.677 -2.659 1.00 0.00 H new ATOM 0 HB VAL A 71 5.846 -6.912 -4.534 1.00 0.00 H new ATOM 0 HG11 VAL A 71 4.258 -6.358 -6.335 1.00 0.00 H new ATOM 0 HG12 VAL A 71 3.581 -7.544 -5.193 1.00 0.00 H new ATOM 0 HG13 VAL A 71 3.067 -5.841 -5.117 1.00 0.00 H new ATOM 0 HG21 VAL A 71 5.870 -4.669 -5.575 1.00 0.00 H new ATOM 0 HG22 VAL A 71 4.754 -4.083 -4.319 1.00 0.00 H new ATOM 0 HG23 VAL A 71 6.393 -4.616 -3.875 1.00 0.00 H new ATOM 1043 N ARG A 72 4.867 -8.803 -2.522 1.00 0.00 N ATOM 1044 CA ARG A 72 4.448 -10.192 -2.334 1.00 0.00 C ATOM 1045 C ARG A 72 3.455 -10.317 -1.176 1.00 0.00 C ATOM 1046 O ARG A 72 2.401 -10.939 -1.317 1.00 0.00 O ATOM 1047 CB ARG A 72 5.661 -11.088 -2.067 1.00 0.00 C ATOM 1048 CG ARG A 72 6.539 -11.320 -3.287 1.00 0.00 C ATOM 1049 CD ARG A 72 7.827 -12.038 -2.916 1.00 0.00 C ATOM 1050 NE ARG A 72 8.778 -12.067 -4.027 1.00 0.00 N ATOM 1051 CZ ARG A 72 10.100 -12.188 -3.882 1.00 0.00 C ATOM 1052 NH1 ARG A 72 10.644 -12.230 -2.670 1.00 0.00 N ATOM 1053 NH2 ARG A 72 10.880 -12.247 -4.954 1.00 0.00 N ATOM 0 H ARG A 72 5.877 -8.663 -2.496 1.00 0.00 H new ATOM 0 HA ARG A 72 3.957 -10.515 -3.252 1.00 0.00 H new ATOM 0 HB2 ARG A 72 6.264 -10.639 -1.278 1.00 0.00 H new ATOM 0 HB3 ARG A 72 5.313 -12.051 -1.694 1.00 0.00 H new ATOM 0 HG2 ARG A 72 5.992 -11.908 -4.024 1.00 0.00 H new ATOM 0 HG3 ARG A 72 6.775 -10.364 -3.754 1.00 0.00 H new ATOM 0 HD2 ARG A 72 8.285 -11.542 -2.060 1.00 0.00 H new ATOM 0 HD3 ARG A 72 7.598 -13.058 -2.608 1.00 0.00 H new ATOM 0 HE ARG A 72 8.407 -11.990 -4.974 1.00 0.00 H new ATOM 0 HH11 ARG A 72 10.051 -12.170 -1.842 1.00 0.00 H new ATOM 0 HH12 ARG A 72 11.655 -12.323 -2.568 1.00 0.00 H new ATOM 0 HH21 ARG A 72 10.470 -12.200 -5.887 1.00 0.00 H new ATOM 0 HH22 ARG A 72 11.890 -12.339 -4.845 1.00 0.00 H new ATOM 1067 N VAL A 73 3.791 -9.714 -0.038 1.00 0.00 N ATOM 1068 CA VAL A 73 2.926 -9.758 1.135 1.00 0.00 C ATOM 1069 C VAL A 73 1.654 -8.953 0.896 1.00 0.00 C ATOM 1070 O VAL A 73 0.555 -9.382 1.260 1.00 0.00 O ATOM 1071 CB VAL A 73 3.645 -9.220 2.391 1.00 0.00 C ATOM 1072 CG1 VAL A 73 2.746 -9.301 3.618 1.00 0.00 C ATOM 1073 CG2 VAL A 73 4.940 -9.978 2.627 1.00 0.00 C ATOM 0 H VAL A 73 4.656 -9.190 0.095 1.00 0.00 H new ATOM 0 HA VAL A 73 2.667 -10.803 1.305 1.00 0.00 H new ATOM 0 HB VAL A 73 3.882 -8.170 2.219 1.00 0.00 H new ATOM 0 HG11 VAL A 73 3.280 -8.915 4.486 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.848 -8.707 3.451 1.00 0.00 H new ATOM 0 HG13 VAL A 73 2.466 -10.339 3.796 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.434 -9.586 3.516 1.00 0.00 H new ATOM 0 HG22 VAL A 73 4.721 -11.036 2.770 1.00 0.00 H new ATOM 0 HG23 VAL A 73 5.595 -9.856 1.764 1.00 0.00 H new ATOM 1083 N LEU A 74 1.808 -7.798 0.257 1.00 0.00 N ATOM 1084 CA LEU A 74 0.681 -6.925 -0.039 1.00 0.00 C ATOM 1085 C LEU A 74 -0.371 -7.659 -0.864 1.00 0.00 C ATOM 1086 O LEU A 74 -1.561 -7.559 -0.585 1.00 0.00 O ATOM 1087 CB LEU A 74 1.151 -5.674 -0.787 1.00 0.00 C ATOM 1088 CG LEU A 74 0.065 -4.626 -1.055 1.00 0.00 C ATOM 1089 CD1 LEU A 74 -0.433 -4.023 0.247 1.00 0.00 C ATOM 1090 CD2 LEU A 74 0.595 -3.544 -1.980 1.00 0.00 C ATOM 0 H LEU A 74 2.708 -7.445 -0.067 1.00 0.00 H new ATOM 0 HA LEU A 74 0.233 -6.623 0.907 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.951 -5.206 -0.213 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.581 -5.981 -1.741 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.777 -5.117 -1.543 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -1.203 -3.282 0.034 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.850 -4.809 0.876 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.397 -3.545 0.767 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -0.186 -2.806 -2.162 1.00 0.00 H new ATOM 0 HD22 LEU A 74 1.453 -3.057 -1.516 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.899 -3.991 -2.926 1.00 0.00 H new ATOM 1102 N ARG A 75 0.079 -8.419 -1.863 1.00 0.00 N ATOM 1103 CA ARG A 75 -0.830 -9.169 -2.729 1.00 0.00 C ATOM 1104 C ARG A 75 -1.653 -10.173 -1.926 1.00 0.00 C ATOM 1105 O ARG A 75 -2.826 -10.400 -2.223 1.00 0.00 O ATOM 1106 CB ARG A 75 -0.059 -9.895 -3.836 1.00 0.00 C ATOM 1107 CG ARG A 75 0.781 -8.971 -4.705 1.00 0.00 C ATOM 1108 CD ARG A 75 1.005 -9.542 -6.095 1.00 0.00 C ATOM 1109 NE ARG A 75 -0.190 -9.423 -6.926 1.00 0.00 N ATOM 1110 CZ ARG A 75 -0.264 -8.710 -8.052 1.00 0.00 C ATOM 1111 NH1 ARG A 75 0.801 -8.070 -8.529 1.00 0.00 N ATOM 1112 NH2 ARG A 75 -1.411 -8.642 -8.710 1.00 0.00 N ATOM 0 H ARG A 75 1.067 -8.531 -2.092 1.00 0.00 H new ATOM 0 HA ARG A 75 -1.510 -8.451 -3.188 1.00 0.00 H new ATOM 0 HB2 ARG A 75 0.591 -10.643 -3.383 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -0.767 -10.430 -4.469 1.00 0.00 H new ATOM 0 HG2 ARG A 75 0.287 -8.003 -4.786 1.00 0.00 H new ATOM 0 HG3 ARG A 75 1.744 -8.799 -4.225 1.00 0.00 H new ATOM 0 HD2 ARG A 75 1.834 -9.021 -6.573 1.00 0.00 H new ATOM 0 HD3 ARG A 75 1.291 -10.591 -6.016 1.00 0.00 H new ATOM 0 HE ARG A 75 -1.028 -9.920 -6.624 1.00 0.00 H new ATOM 0 HH11 ARG A 75 1.691 -8.120 -8.033 1.00 0.00 H new ATOM 0 HH12 ARG A 75 0.727 -7.529 -9.391 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -2.232 -9.133 -8.356 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -1.474 -8.099 -9.571 1.00 0.00 H new ATOM 1126 N GLU A 76 -1.045 -10.752 -0.899 1.00 0.00 N ATOM 1127 CA GLU A 76 -1.727 -11.726 -0.058 1.00 0.00 C ATOM 1128 C GLU A 76 -2.852 -11.067 0.732 1.00 0.00 C ATOM 1129 O GLU A 76 -3.949 -11.617 0.847 1.00 0.00 O ATOM 1130 CB GLU A 76 -0.740 -12.384 0.901 1.00 0.00 C ATOM 1131 CG GLU A 76 0.371 -13.144 0.203 1.00 0.00 C ATOM 1132 CD GLU A 76 -0.148 -14.295 -0.636 1.00 0.00 C ATOM 1133 OE1 GLU A 76 -0.451 -15.361 -0.065 1.00 0.00 O ATOM 1134 OE2 GLU A 76 -0.245 -14.143 -1.871 1.00 0.00 O ATOM 0 H GLU A 76 -0.080 -10.564 -0.628 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.157 -12.489 -0.707 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -0.299 -11.617 1.538 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -1.282 -13.068 1.554 1.00 0.00 H new ATOM 0 HG2 GLU A 76 0.931 -12.459 -0.434 1.00 0.00 H new ATOM 0 HG3 GLU A 76 1.068 -13.528 0.948 1.00 0.00 H new ATOM 1141 N ILE A 77 -2.572 -9.886 1.271 1.00 0.00 N ATOM 1142 CA ILE A 77 -3.558 -9.141 2.048 1.00 0.00 C ATOM 1143 C ILE A 77 -4.634 -8.560 1.133 1.00 0.00 C ATOM 1144 O ILE A 77 -5.821 -8.570 1.460 1.00 0.00 O ATOM 1145 CB ILE A 77 -2.896 -7.999 2.848 1.00 0.00 C ATOM 1146 CG1 ILE A 77 -1.692 -8.533 3.626 1.00 0.00 C ATOM 1147 CG2 ILE A 77 -3.900 -7.354 3.794 1.00 0.00 C ATOM 1148 CD1 ILE A 77 -0.877 -7.453 4.303 1.00 0.00 C ATOM 0 H ILE A 77 -1.668 -9.422 1.184 1.00 0.00 H new ATOM 0 HA ILE A 77 -4.015 -9.839 2.749 1.00 0.00 H new ATOM 0 HB ILE A 77 -2.551 -7.238 2.148 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -2.042 -9.238 4.380 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -1.048 -9.088 2.945 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -3.414 -6.552 4.349 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -4.731 -6.946 3.219 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -4.275 -8.102 4.492 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -0.041 -7.907 4.835 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -0.496 -6.760 3.553 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -1.506 -6.912 5.010 1.00 0.00 H new ATOM 1160 N VAL A 78 -4.202 -8.070 -0.022 1.00 0.00 N ATOM 1161 CA VAL A 78 -5.101 -7.484 -1.009 1.00 0.00 C ATOM 1162 C VAL A 78 -6.085 -8.526 -1.543 1.00 0.00 C ATOM 1163 O VAL A 78 -7.266 -8.239 -1.738 1.00 0.00 O ATOM 1164 CB VAL A 78 -4.291 -6.856 -2.170 1.00 0.00 C ATOM 1165 CG1 VAL A 78 -5.154 -6.616 -3.402 1.00 0.00 C ATOM 1166 CG2 VAL A 78 -3.658 -5.552 -1.711 1.00 0.00 C ATOM 0 H VAL A 78 -3.221 -8.067 -0.301 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.676 -6.698 -0.520 1.00 0.00 H new ATOM 0 HB VAL A 78 -3.510 -7.563 -2.451 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.546 -6.175 -4.192 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -5.566 -7.564 -3.748 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.969 -5.937 -3.149 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -3.089 -5.115 -2.532 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.439 -4.858 -1.400 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -2.991 -5.747 -0.871 1.00 0.00 H new ATOM 1176 N SER A 79 -5.603 -9.744 -1.747 1.00 0.00 N ATOM 1177 CA SER A 79 -6.439 -10.826 -2.249 1.00 0.00 C ATOM 1178 C SER A 79 -7.098 -11.594 -1.104 1.00 0.00 C ATOM 1179 O SER A 79 -7.458 -12.765 -1.251 1.00 0.00 O ATOM 1180 CB SER A 79 -5.595 -11.769 -3.104 1.00 0.00 C ATOM 1181 OG SER A 79 -4.773 -11.031 -3.995 1.00 0.00 O ATOM 0 H SER A 79 -4.634 -10.008 -1.572 1.00 0.00 H new ATOM 0 HA SER A 79 -7.233 -10.395 -2.859 1.00 0.00 H new ATOM 0 HB2 SER A 79 -4.975 -12.395 -2.462 1.00 0.00 H new ATOM 0 HB3 SER A 79 -6.245 -12.437 -3.669 1.00 0.00 H new ATOM 0 HG SER A 79 -3.983 -10.704 -3.516 1.00 0.00 H new ATOM 1187 N GLN A 80 -7.262 -10.930 0.032 1.00 0.00 N ATOM 1188 CA GLN A 80 -7.873 -11.551 1.198 1.00 0.00 C ATOM 1189 C GLN A 80 -9.019 -10.691 1.715 1.00 0.00 C ATOM 1190 O GLN A 80 -9.002 -9.470 1.562 1.00 0.00 O ATOM 1191 CB GLN A 80 -6.832 -11.741 2.300 1.00 0.00 C ATOM 1192 CG GLN A 80 -6.923 -13.081 3.013 1.00 0.00 C ATOM 1193 CD GLN A 80 -6.510 -14.253 2.140 1.00 0.00 C ATOM 1194 OE1 GLN A 80 -7.016 -15.363 2.294 1.00 0.00 O ATOM 1195 NE2 GLN A 80 -5.571 -14.025 1.234 1.00 0.00 N ATOM 0 H GLN A 80 -6.980 -9.960 0.170 1.00 0.00 H new ATOM 0 HA GLN A 80 -8.265 -12.525 0.906 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -5.837 -11.638 1.867 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -6.945 -10.943 3.033 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -6.290 -13.057 3.900 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -7.946 -13.234 3.355 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -5.174 -13.091 1.135 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -5.245 -14.784 0.636 1.00 0.00 H new ATOM 1204 N THR A 81 -10.011 -11.329 2.318 1.00 0.00 N ATOM 1205 CA THR A 81 -11.159 -10.617 2.863 1.00 0.00 C ATOM 1206 C THR A 81 -10.793 -9.913 4.169 1.00 0.00 C ATOM 1207 O THR A 81 -9.885 -10.348 4.881 1.00 0.00 O ATOM 1208 CB THR A 81 -12.327 -11.587 3.126 1.00 0.00 C ATOM 1209 OG1 THR A 81 -11.976 -12.900 2.669 1.00 0.00 O ATOM 1210 CG2 THR A 81 -13.595 -11.127 2.424 1.00 0.00 C ATOM 0 H THR A 81 -10.045 -12.341 2.443 1.00 0.00 H new ATOM 0 HA THR A 81 -11.464 -9.873 2.127 1.00 0.00 H new ATOM 0 HB THR A 81 -12.518 -11.605 4.199 1.00 0.00 H new ATOM 0 HG1 THR A 81 -12.720 -13.515 2.839 1.00 0.00 H new ATOM 0 HG21 THR A 81 -14.401 -11.832 2.629 1.00 0.00 H new ATOM 0 HG22 THR A 81 -13.876 -10.139 2.790 1.00 0.00 H new ATOM 0 HG23 THR A 81 -13.419 -11.079 1.349 1.00 0.00 H new ATOM 1218 N GLY A 82 -11.486 -8.825 4.472 1.00 0.00 N ATOM 1219 CA GLY A 82 -11.218 -8.098 5.695 1.00 0.00 C ATOM 1220 C GLY A 82 -10.724 -6.689 5.439 1.00 0.00 C ATOM 1221 O GLY A 82 -10.156 -6.412 4.383 1.00 0.00 O ATOM 0 H GLY A 82 -12.229 -8.433 3.893 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -12.127 -8.057 6.295 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -10.474 -8.639 6.279 1.00 0.00 H new ATOM 1225 N PRO A 83 -10.941 -5.772 6.393 1.00 0.00 N ATOM 1226 CA PRO A 83 -10.505 -4.378 6.272 1.00 0.00 C ATOM 1227 C PRO A 83 -8.984 -4.257 6.209 1.00 0.00 C ATOM 1228 O PRO A 83 -8.259 -4.993 6.884 1.00 0.00 O ATOM 1229 CB PRO A 83 -11.044 -3.714 7.542 1.00 0.00 C ATOM 1230 CG PRO A 83 -11.259 -4.834 8.503 1.00 0.00 C ATOM 1231 CD PRO A 83 -11.629 -6.027 7.669 1.00 0.00 C ATOM 0 HA PRO A 83 -10.870 -3.916 5.355 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -10.336 -2.986 7.937 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -11.973 -3.180 7.344 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -10.358 -5.028 9.084 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -12.050 -4.593 9.213 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -11.295 -6.958 8.127 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -12.708 -6.106 7.536 1.00 0.00 H new ATOM 1239 N ILE A 84 -8.502 -3.335 5.392 1.00 0.00 N ATOM 1240 CA ILE A 84 -7.071 -3.134 5.240 1.00 0.00 C ATOM 1241 C ILE A 84 -6.669 -1.730 5.688 1.00 0.00 C ATOM 1242 O ILE A 84 -7.183 -0.730 5.181 1.00 0.00 O ATOM 1243 CB ILE A 84 -6.627 -3.365 3.777 1.00 0.00 C ATOM 1244 CG1 ILE A 84 -6.970 -4.793 3.339 1.00 0.00 C ATOM 1245 CG2 ILE A 84 -5.133 -3.107 3.625 1.00 0.00 C ATOM 1246 CD1 ILE A 84 -6.786 -5.038 1.855 1.00 0.00 C ATOM 0 H ILE A 84 -9.080 -2.715 4.825 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.568 -3.864 5.874 1.00 0.00 H new ATOM 0 HB ILE A 84 -7.163 -2.665 3.137 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -6.345 -5.493 3.894 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -8.004 -5.007 3.608 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -4.838 -3.274 2.589 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -4.912 -2.077 3.903 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -4.579 -3.785 4.274 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -7.048 -6.070 1.621 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -7.431 -4.363 1.292 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -5.746 -4.857 1.583 1.00 0.00 H new ATOM 1258 N SER A 85 -5.771 -1.668 6.657 1.00 0.00 N ATOM 1259 CA SER A 85 -5.285 -0.406 7.174 1.00 0.00 C ATOM 1260 C SER A 85 -3.913 -0.099 6.581 1.00 0.00 C ATOM 1261 O SER A 85 -2.958 -0.854 6.774 1.00 0.00 O ATOM 1262 CB SER A 85 -5.220 -0.455 8.703 1.00 0.00 C ATOM 1263 OG SER A 85 -6.481 -0.813 9.252 1.00 0.00 O ATOM 0 H SER A 85 -5.362 -2.489 7.104 1.00 0.00 H new ATOM 0 HA SER A 85 -5.972 0.390 6.887 1.00 0.00 H new ATOM 0 HB2 SER A 85 -4.465 -1.176 9.016 1.00 0.00 H new ATOM 0 HB3 SER A 85 -4.913 0.517 9.089 1.00 0.00 H new ATOM 0 HG SER A 85 -6.416 -0.840 10.230 1.00 0.00 H new ATOM 1269 N LEU A 86 -3.830 0.998 5.846 1.00 0.00 N ATOM 1270 CA LEU A 86 -2.589 1.402 5.205 1.00 0.00 C ATOM 1271 C LEU A 86 -1.929 2.551 5.952 1.00 0.00 C ATOM 1272 O LEU A 86 -2.526 3.615 6.133 1.00 0.00 O ATOM 1273 CB LEU A 86 -2.844 1.830 3.754 1.00 0.00 C ATOM 1274 CG LEU A 86 -3.470 0.770 2.848 1.00 0.00 C ATOM 1275 CD1 LEU A 86 -3.683 1.330 1.452 1.00 0.00 C ATOM 1276 CD2 LEU A 86 -2.599 -0.472 2.790 1.00 0.00 C ATOM 0 H LEU A 86 -4.614 1.629 5.678 1.00 0.00 H new ATOM 0 HA LEU A 86 -1.922 0.540 5.221 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -3.495 2.704 3.762 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -1.896 2.142 3.315 1.00 0.00 H new ATOM 0 HG LEU A 86 -4.437 0.490 3.266 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -4.129 0.565 0.817 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -4.348 2.192 1.503 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -2.725 1.636 1.032 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -3.064 -1.213 2.140 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -1.617 -0.210 2.397 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -2.490 -0.887 3.792 1.00 0.00 H new ATOM 1288 N THR A 87 -0.706 2.321 6.395 1.00 0.00 N ATOM 1289 CA THR A 87 0.061 3.341 7.083 1.00 0.00 C ATOM 1290 C THR A 87 0.981 4.015 6.072 1.00 0.00 C ATOM 1291 O THR A 87 2.037 3.483 5.724 1.00 0.00 O ATOM 1292 CB THR A 87 0.888 2.739 8.234 1.00 0.00 C ATOM 1293 OG1 THR A 87 0.119 1.733 8.905 1.00 0.00 O ATOM 1294 CG2 THR A 87 1.297 3.809 9.234 1.00 0.00 C ATOM 0 H THR A 87 -0.221 1.430 6.289 1.00 0.00 H new ATOM 0 HA THR A 87 -0.622 4.070 7.519 1.00 0.00 H new ATOM 0 HB THR A 87 1.790 2.299 7.810 1.00 0.00 H new ATOM 0 HG1 THR A 87 0.083 0.925 8.351 1.00 0.00 H new ATOM 0 HG21 THR A 87 1.880 3.354 10.035 1.00 0.00 H new ATOM 0 HG22 THR A 87 1.900 4.565 8.731 1.00 0.00 H new ATOM 0 HG23 THR A 87 0.405 4.275 9.653 1.00 0.00 H new ATOM 1302 N VAL A 88 0.562 5.172 5.585 1.00 0.00 N ATOM 1303 CA VAL A 88 1.323 5.894 4.582 1.00 0.00 C ATOM 1304 C VAL A 88 2.192 6.976 5.195 1.00 0.00 C ATOM 1305 O VAL A 88 1.864 7.550 6.236 1.00 0.00 O ATOM 1306 CB VAL A 88 0.402 6.532 3.521 1.00 0.00 C ATOM 1307 CG1 VAL A 88 -0.287 5.455 2.698 1.00 0.00 C ATOM 1308 CG2 VAL A 88 -0.621 7.457 4.171 1.00 0.00 C ATOM 0 H VAL A 88 -0.303 5.631 5.870 1.00 0.00 H new ATOM 0 HA VAL A 88 1.967 5.156 4.104 1.00 0.00 H new ATOM 0 HB VAL A 88 1.018 7.134 2.852 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -0.933 5.922 1.955 1.00 0.00 H new ATOM 0 HG12 VAL A 88 0.464 4.846 2.195 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -0.887 4.824 3.354 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -1.257 7.894 3.401 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -1.234 6.888 4.869 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -0.103 8.252 4.708 1.00 0.00 H new ATOM 1318 N ALA A 89 3.308 7.228 4.540 1.00 0.00 N ATOM 1319 CA ALA A 89 4.246 8.244 4.962 1.00 0.00 C ATOM 1320 C ALA A 89 4.328 9.327 3.896 1.00 0.00 C ATOM 1321 O ALA A 89 4.795 9.078 2.781 1.00 0.00 O ATOM 1322 CB ALA A 89 5.614 7.633 5.212 1.00 0.00 C ATOM 0 H ALA A 89 3.589 6.730 3.696 1.00 0.00 H new ATOM 0 HA ALA A 89 3.901 8.688 5.896 1.00 0.00 H new ATOM 0 HB1 ALA A 89 6.308 8.412 5.529 1.00 0.00 H new ATOM 0 HB2 ALA A 89 5.537 6.876 5.992 1.00 0.00 H new ATOM 0 HB3 ALA A 89 5.980 7.172 4.294 1.00 0.00 H new ATOM 1328 N LYS A 90 3.848 10.511 4.231 1.00 0.00 N ATOM 1329 CA LYS A 90 3.852 11.634 3.308 1.00 0.00 C ATOM 1330 C LYS A 90 4.997 12.578 3.634 1.00 0.00 C ATOM 1331 O LYS A 90 4.979 13.177 4.729 1.00 0.00 O ATOM 1332 CB LYS A 90 2.521 12.382 3.378 1.00 0.00 C ATOM 1333 CG LYS A 90 1.305 11.466 3.347 1.00 0.00 C ATOM 1334 CD LYS A 90 0.008 12.252 3.452 1.00 0.00 C ATOM 1335 CE LYS A 90 -0.294 13.027 2.179 1.00 0.00 C ATOM 1336 NZ LYS A 90 -0.790 12.146 1.089 1.00 0.00 N ATOM 1337 OXT LYS A 90 5.916 12.706 2.798 1.00 0.00 O ATOM 0 H LYS A 90 3.446 10.722 5.145 1.00 0.00 H new ATOM 0 HA LYS A 90 3.988 11.252 2.296 1.00 0.00 H new ATOM 0 HB2 LYS A 90 2.495 12.976 4.292 1.00 0.00 H new ATOM 0 HB3 LYS A 90 2.461 13.080 2.543 1.00 0.00 H new ATOM 0 HG2 LYS A 90 1.307 10.889 2.422 1.00 0.00 H new ATOM 0 HG3 LYS A 90 1.366 10.752 4.168 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -0.814 11.568 3.664 1.00 0.00 H new ATOM 0 HD3 LYS A 90 0.071 12.944 4.292 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -1.039 13.794 2.391 1.00 0.00 H new ATOM 0 HE3 LYS A 90 0.608 13.541 1.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -1.278 12.721 0.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 0.013 11.653 0.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -1.452 11.447 1.482 1.00 0.00 H new