USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 693 hydrogens (16 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 NoAdj-H: A 91 SUZ HO2 : A 91 SUZ O2 : A 91 SUZ C12 :(short bond) USER MOD Set 1.1: A 22 GLN :FLIP amide:sc= 0.206 F(o=-1.9!,f=0.52) USER MOD Set 1.2: A 32 TYR OH : rot 9:sc= 0.312 USER MOD Set 2.1: A 23 SER OG : rot -108:sc= 0.69 USER MOD Set 2.2: A 67 ASN : amide:sc= 1.43 K(o=2.1,f=-2.7!) USER MOD Single : A 1 ASN : amide:sc= -0.0412 K(o=-0.041,f=-0.77) USER MOD Single : A 1 ASN N :NH3+ 172:sc= 1.33 (180deg=1.15) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= 0.533 K(o=0.53,f=-6!) USER MOD Single : A 9 MET CE :methyl -164:sc= -0.0197 (180deg=-0.433) USER MOD Single : A 12 HIS : no HD1:sc= -0.324 X(o=-0.32,f=0.063) USER MOD Single : A 13 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 18 SER OG : rot -112:sc= 0.273 USER MOD Single : A 24 ASN : amide:sc= -1.56! C(o=-1.6!,f=-2.8!) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl 180:sc= -0.0591 (180deg=-0.0591) USER MOD Single : A 38 LYS NZ :NH3+ 172:sc=-0.00473 (180deg=-0.0879) USER MOD Single : A 53 MET CE :methyl 150:sc= 0 (180deg=-1.25) USER MOD Single : A 56 GLN : amide:sc= -0.978 X(o=-0.98,f=-0.92) USER MOD Single : A 58 ASN : amide:sc= 1.06 K(o=1.1,f=-9.2!) USER MOD Single : A 61 ASN : amide:sc= -1.01 K(o=-1,f=-3.8!) USER MOD Single : A 64 ASN : amide:sc= -0.0885 K(o=-0.088,f=-1.3) USER MOD Single : A 65 MET CE :methyl -165:sc= -1.02 (180deg=-1.36) USER MOD Single : A 66 SER OG : rot -108:sc= 1.92 USER MOD Single : A 79 SER OG : rot 88:sc= 1.26 USER MOD Single : A 80 GLN : amide:sc= 0.01 X(o=0.01,f=-0.1) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0.00798 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 82:sc= 1.23 USER MOD Single : A 90 LYS NZ :NH3+ 168:sc= 0.759 (180deg=0.409!) USER MOD Single : A 91 SUZ C1 :methyl -165:sc= -0.398 (180deg=-0.953) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 4.953 13.087 7.489 1.00 0.00 N ATOM 2 CA ASN A 1 3.640 12.928 8.152 1.00 0.00 C ATOM 3 C ASN A 1 3.079 11.540 7.884 1.00 0.00 C ATOM 4 O ASN A 1 2.720 11.213 6.754 1.00 0.00 O ATOM 5 CB ASN A 1 2.655 13.990 7.656 1.00 0.00 C ATOM 6 CG ASN A 1 1.322 13.917 8.371 1.00 0.00 C ATOM 7 OD1 ASN A 1 1.244 13.505 9.527 1.00 0.00 O ATOM 8 ND2 ASN A 1 0.262 14.323 7.692 1.00 0.00 N ATOM 0 H1 ASN A 1 5.262 14.077 7.564 1.00 0.00 H new ATOM 0 H2 ASN A 1 5.652 12.470 7.950 1.00 0.00 H new ATOM 0 H3 ASN A 1 4.869 12.826 6.486 1.00 0.00 H new ATOM 0 HA ASN A 1 3.781 13.054 9.225 1.00 0.00 H new ATOM 0 HB2 ASN A 1 3.088 14.980 7.800 1.00 0.00 H new ATOM 0 HB3 ASN A 1 2.497 13.864 6.585 1.00 0.00 H new ATOM 0 HD21 ASN A 1 -0.661 14.301 8.126 1.00 0.00 H new ATOM 0 HD22 ASN A 1 0.367 14.658 6.734 1.00 0.00 H new ATOM 17 N ILE A 2 3.014 10.723 8.923 1.00 0.00 N ATOM 18 CA ILE A 2 2.494 9.370 8.798 1.00 0.00 C ATOM 19 C ILE A 2 0.990 9.353 9.057 1.00 0.00 C ATOM 20 O ILE A 2 0.526 9.842 10.088 1.00 0.00 O ATOM 21 CB ILE A 2 3.185 8.402 9.783 1.00 0.00 C ATOM 22 CG1 ILE A 2 4.703 8.423 9.577 1.00 0.00 C ATOM 23 CG2 ILE A 2 2.643 6.987 9.609 1.00 0.00 C ATOM 24 CD1 ILE A 2 5.472 7.729 10.679 1.00 0.00 C ATOM 0 H ILE A 2 3.316 10.974 9.865 1.00 0.00 H new ATOM 0 HA ILE A 2 2.700 9.037 7.781 1.00 0.00 H new ATOM 0 HB ILE A 2 2.969 8.731 10.799 1.00 0.00 H new ATOM 0 HG12 ILE A 2 4.939 7.947 8.625 1.00 0.00 H new ATOM 0 HG13 ILE A 2 5.038 9.458 9.508 1.00 0.00 H new ATOM 0 HG21 ILE A 2 3.141 6.318 10.311 1.00 0.00 H new ATOM 0 HG22 ILE A 2 1.570 6.982 9.802 1.00 0.00 H new ATOM 0 HG23 ILE A 2 2.830 6.648 8.590 1.00 0.00 H new ATOM 0 HD11 ILE A 2 6.540 7.783 10.467 1.00 0.00 H new ATOM 0 HD12 ILE A 2 5.266 8.219 11.631 1.00 0.00 H new ATOM 0 HD13 ILE A 2 5.165 6.684 10.735 1.00 0.00 H new ATOM 36 N ILE A 3 0.231 8.803 8.120 1.00 0.00 N ATOM 37 CA ILE A 3 -1.213 8.729 8.260 1.00 0.00 C ATOM 38 C ILE A 3 -1.699 7.294 8.098 1.00 0.00 C ATOM 39 O ILE A 3 -1.329 6.602 7.149 1.00 0.00 O ATOM 40 CB ILE A 3 -1.929 9.636 7.235 1.00 0.00 C ATOM 41 CG1 ILE A 3 -1.514 11.101 7.440 1.00 0.00 C ATOM 42 CG2 ILE A 3 -3.442 9.484 7.353 1.00 0.00 C ATOM 43 CD1 ILE A 3 -2.228 12.074 6.529 1.00 0.00 C ATOM 0 H ILE A 3 0.593 8.402 7.255 1.00 0.00 H new ATOM 0 HA ILE A 3 -1.458 9.080 9.262 1.00 0.00 H new ATOM 0 HB ILE A 3 -1.633 9.330 6.232 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -1.706 11.381 8.476 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -0.440 11.190 7.279 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -3.931 10.130 6.624 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -3.719 8.447 7.163 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -3.759 9.766 8.357 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -1.881 13.087 6.735 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -2.016 11.822 5.490 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -3.302 12.016 6.705 1.00 0.00 H new ATOM 55 N THR A 4 -2.510 6.853 9.045 1.00 0.00 N ATOM 56 CA THR A 4 -3.064 5.515 9.019 1.00 0.00 C ATOM 57 C THR A 4 -4.512 5.562 8.545 1.00 0.00 C ATOM 58 O THR A 4 -5.367 6.169 9.193 1.00 0.00 O ATOM 59 CB THR A 4 -3.007 4.864 10.414 1.00 0.00 C ATOM 60 OG1 THR A 4 -1.866 5.354 11.136 1.00 0.00 O ATOM 61 CG2 THR A 4 -2.934 3.348 10.301 1.00 0.00 C ATOM 0 H THR A 4 -2.800 7.411 9.848 1.00 0.00 H new ATOM 0 HA THR A 4 -2.468 4.917 8.330 1.00 0.00 H new ATOM 0 HB THR A 4 -3.917 5.127 10.953 1.00 0.00 H new ATOM 0 HG1 THR A 4 -1.836 4.938 12.023 1.00 0.00 H new ATOM 0 HG21 THR A 4 -2.895 2.910 11.298 1.00 0.00 H new ATOM 0 HG22 THR A 4 -3.816 2.979 9.777 1.00 0.00 H new ATOM 0 HG23 THR A 4 -2.039 3.067 9.746 1.00 0.00 H new ATOM 69 N VAL A 5 -4.787 4.939 7.411 1.00 0.00 N ATOM 70 CA VAL A 5 -6.137 4.927 6.865 1.00 0.00 C ATOM 71 C VAL A 5 -6.699 3.510 6.826 1.00 0.00 C ATOM 72 O VAL A 5 -5.954 2.537 6.706 1.00 0.00 O ATOM 73 CB VAL A 5 -6.186 5.527 5.441 1.00 0.00 C ATOM 74 CG1 VAL A 5 -5.616 6.936 5.426 1.00 0.00 C ATOM 75 CG2 VAL A 5 -5.443 4.641 4.450 1.00 0.00 C ATOM 0 H VAL A 5 -4.098 4.437 6.852 1.00 0.00 H new ATOM 0 HA VAL A 5 -6.746 5.543 7.526 1.00 0.00 H new ATOM 0 HB VAL A 5 -7.231 5.577 5.137 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -5.662 7.336 4.413 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -6.198 7.571 6.094 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -4.579 6.912 5.760 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -5.493 5.086 3.456 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -4.401 4.549 4.755 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -5.903 3.653 4.429 1.00 0.00 H new ATOM 85 N THR A 6 -8.012 3.405 6.937 1.00 0.00 N ATOM 86 CA THR A 6 -8.685 2.123 6.887 1.00 0.00 C ATOM 87 C THR A 6 -9.552 2.068 5.636 1.00 0.00 C ATOM 88 O THR A 6 -10.294 3.005 5.346 1.00 0.00 O ATOM 89 CB THR A 6 -9.537 1.871 8.154 1.00 0.00 C ATOM 90 OG1 THR A 6 -10.434 0.773 7.941 1.00 0.00 O ATOM 91 CG2 THR A 6 -10.325 3.109 8.547 1.00 0.00 C ATOM 0 H THR A 6 -8.636 4.202 7.063 1.00 0.00 H new ATOM 0 HA THR A 6 -7.932 1.335 6.850 1.00 0.00 H new ATOM 0 HB THR A 6 -8.855 1.627 8.968 1.00 0.00 H new ATOM 0 HG1 THR A 6 -10.966 0.623 8.750 1.00 0.00 H new ATOM 0 HG21 THR A 6 -10.913 2.898 9.440 1.00 0.00 H new ATOM 0 HG22 THR A 6 -9.636 3.929 8.751 1.00 0.00 H new ATOM 0 HG23 THR A 6 -10.992 3.390 7.732 1.00 0.00 H new ATOM 99 N LEU A 7 -9.432 0.987 4.884 1.00 0.00 N ATOM 100 CA LEU A 7 -10.189 0.837 3.652 1.00 0.00 C ATOM 101 C LEU A 7 -11.225 -0.272 3.765 1.00 0.00 C ATOM 102 O LEU A 7 -10.929 -1.372 4.240 1.00 0.00 O ATOM 103 CB LEU A 7 -9.239 0.553 2.488 1.00 0.00 C ATOM 104 CG LEU A 7 -8.089 1.549 2.329 1.00 0.00 C ATOM 105 CD1 LEU A 7 -7.198 1.150 1.170 1.00 0.00 C ATOM 106 CD2 LEU A 7 -8.619 2.961 2.134 1.00 0.00 C ATOM 0 H LEU A 7 -8.819 0.202 5.104 1.00 0.00 H new ATOM 0 HA LEU A 7 -10.720 1.771 3.467 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -8.819 -0.445 2.617 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -9.816 0.538 1.564 1.00 0.00 H new ATOM 0 HG LEU A 7 -7.495 1.533 3.243 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -6.385 1.870 1.071 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -6.784 0.158 1.354 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -7.783 1.135 0.250 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -7.783 3.651 2.023 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -9.240 2.996 1.239 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -9.215 3.249 3.000 1.00 0.00 H new ATOM 118 N ASN A 8 -12.438 0.025 3.318 1.00 0.00 N ATOM 119 CA ASN A 8 -13.528 -0.938 3.356 1.00 0.00 C ATOM 120 C ASN A 8 -13.530 -1.787 2.090 1.00 0.00 C ATOM 121 O ASN A 8 -13.858 -1.303 1.003 1.00 0.00 O ATOM 122 CB ASN A 8 -14.877 -0.227 3.518 1.00 0.00 C ATOM 123 CG ASN A 8 -16.044 -1.196 3.542 1.00 0.00 C ATOM 124 OD1 ASN A 8 -16.636 -1.510 2.506 1.00 0.00 O ATOM 125 ND2 ASN A 8 -16.382 -1.681 4.725 1.00 0.00 N ATOM 0 H ASN A 8 -12.692 0.931 2.923 1.00 0.00 H new ATOM 0 HA ASN A 8 -13.377 -1.590 4.217 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -14.870 0.352 4.441 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -15.012 0.480 2.699 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -17.157 -2.339 4.804 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -15.868 -1.397 5.559 1.00 0.00 H new ATOM 132 N MET A 9 -13.171 -3.053 2.240 1.00 0.00 N ATOM 133 CA MET A 9 -13.111 -3.975 1.111 1.00 0.00 C ATOM 134 C MET A 9 -14.415 -4.745 0.949 1.00 0.00 C ATOM 135 O MET A 9 -14.454 -5.793 0.306 1.00 0.00 O ATOM 136 CB MET A 9 -11.944 -4.947 1.284 1.00 0.00 C ATOM 137 CG MET A 9 -10.589 -4.304 1.052 1.00 0.00 C ATOM 138 SD MET A 9 -10.329 -3.828 -0.668 1.00 0.00 S ATOM 139 CE MET A 9 -10.118 -5.438 -1.427 1.00 0.00 C ATOM 0 H MET A 9 -12.915 -3.469 3.136 1.00 0.00 H new ATOM 0 HA MET A 9 -12.956 -3.385 0.207 1.00 0.00 H new ATOM 0 HB2 MET A 9 -11.973 -5.364 2.291 1.00 0.00 H new ATOM 0 HB3 MET A 9 -12.067 -5.779 0.591 1.00 0.00 H new ATOM 0 HG2 MET A 9 -10.496 -3.423 1.686 1.00 0.00 H new ATOM 0 HG3 MET A 9 -9.805 -4.998 1.355 1.00 0.00 H new ATOM 0 HE1 MET A 9 -9.673 -5.319 -2.415 1.00 0.00 H new ATOM 0 HE2 MET A 9 -9.464 -6.050 -0.806 1.00 0.00 H new ATOM 0 HE3 MET A 9 -11.088 -5.925 -1.523 1.00 0.00 H new ATOM 149 N GLU A 10 -15.482 -4.230 1.547 1.00 0.00 N ATOM 150 CA GLU A 10 -16.789 -4.865 1.438 1.00 0.00 C ATOM 151 C GLU A 10 -17.532 -4.282 0.244 1.00 0.00 C ATOM 152 O GLU A 10 -18.150 -5.001 -0.541 1.00 0.00 O ATOM 153 CB GLU A 10 -17.604 -4.666 2.717 1.00 0.00 C ATOM 154 CG GLU A 10 -16.858 -5.049 3.985 1.00 0.00 C ATOM 155 CD GLU A 10 -16.137 -6.376 3.865 1.00 0.00 C ATOM 156 OE1 GLU A 10 -16.814 -7.424 3.829 1.00 0.00 O ATOM 157 OE2 GLU A 10 -14.891 -6.377 3.813 1.00 0.00 O ATOM 0 H GLU A 10 -15.469 -3.379 2.109 1.00 0.00 H new ATOM 0 HA GLU A 10 -16.649 -5.936 1.295 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -17.906 -3.621 2.786 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -18.517 -5.258 2.651 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -16.136 -4.269 4.226 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -17.563 -5.098 4.815 1.00 0.00 H new ATOM 164 N ARG A 11 -17.449 -2.966 0.121 1.00 0.00 N ATOM 165 CA ARG A 11 -18.082 -2.246 -0.972 1.00 0.00 C ATOM 166 C ARG A 11 -17.073 -2.056 -2.104 1.00 0.00 C ATOM 167 O ARG A 11 -17.436 -1.775 -3.246 1.00 0.00 O ATOM 168 CB ARG A 11 -18.591 -0.889 -0.467 1.00 0.00 C ATOM 169 CG ARG A 11 -19.221 -0.017 -1.542 1.00 0.00 C ATOM 170 CD ARG A 11 -19.631 1.340 -0.989 1.00 0.00 C ATOM 171 NE ARG A 11 -19.775 2.340 -2.045 1.00 0.00 N ATOM 172 CZ ARG A 11 -19.528 3.642 -1.888 1.00 0.00 C ATOM 173 NH1 ARG A 11 -19.167 4.120 -0.701 1.00 0.00 N ATOM 174 NH2 ARG A 11 -19.647 4.467 -2.924 1.00 0.00 N ATOM 0 H ARG A 11 -16.942 -2.369 0.774 1.00 0.00 H new ATOM 0 HA ARG A 11 -18.931 -2.816 -1.350 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -19.324 -1.060 0.321 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -17.759 -0.347 -0.017 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -18.515 0.121 -2.361 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -20.094 -0.521 -1.956 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -20.574 1.242 -0.451 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -18.886 1.678 -0.268 1.00 0.00 H new ATOM 0 HE ARG A 11 -20.085 2.022 -2.963 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -19.077 3.490 0.097 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -18.980 5.116 -0.588 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -19.926 4.104 -3.835 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -19.459 5.463 -2.807 1.00 0.00 H new ATOM 188 N HIS A 12 -15.797 -2.225 -1.774 1.00 0.00 N ATOM 189 CA HIS A 12 -14.722 -2.081 -2.748 1.00 0.00 C ATOM 190 C HIS A 12 -14.022 -3.418 -2.953 1.00 0.00 C ATOM 191 O HIS A 12 -13.836 -4.171 -2.004 1.00 0.00 O ATOM 192 CB HIS A 12 -13.708 -1.034 -2.285 1.00 0.00 C ATOM 193 CG HIS A 12 -14.207 0.376 -2.376 1.00 0.00 C ATOM 194 ND1 HIS A 12 -14.770 1.046 -1.311 1.00 0.00 N ATOM 195 CD2 HIS A 12 -14.219 1.250 -3.413 1.00 0.00 C ATOM 196 CE1 HIS A 12 -15.104 2.266 -1.689 1.00 0.00 C ATOM 197 NE2 HIS A 12 -14.782 2.415 -2.958 1.00 0.00 N ATOM 0 H HIS A 12 -15.481 -2.463 -0.834 1.00 0.00 H new ATOM 0 HA HIS A 12 -15.157 -1.751 -3.692 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -13.429 -1.244 -1.253 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -12.803 -1.128 -2.885 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -13.853 1.063 -4.412 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -15.564 3.016 -1.063 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -14.928 3.259 -3.512 1.00 0.00 H new ATOM 206 N HIS A 13 -13.644 -3.720 -4.188 1.00 0.00 N ATOM 207 CA HIS A 13 -12.973 -4.984 -4.482 1.00 0.00 C ATOM 208 C HIS A 13 -11.499 -4.770 -4.794 1.00 0.00 C ATOM 209 O HIS A 13 -10.709 -5.715 -4.792 1.00 0.00 O ATOM 210 CB HIS A 13 -13.651 -5.699 -5.647 1.00 0.00 C ATOM 211 CG HIS A 13 -14.731 -6.647 -5.223 1.00 0.00 C ATOM 212 ND1 HIS A 13 -14.488 -7.958 -4.877 1.00 0.00 N ATOM 213 CD2 HIS A 13 -16.067 -6.465 -5.076 1.00 0.00 C ATOM 214 CE1 HIS A 13 -15.622 -8.541 -4.539 1.00 0.00 C ATOM 215 NE2 HIS A 13 -16.596 -7.659 -4.653 1.00 0.00 N ATOM 0 H HIS A 13 -13.788 -3.115 -4.997 1.00 0.00 H new ATOM 0 HA HIS A 13 -13.048 -5.608 -3.591 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -14.076 -4.955 -6.321 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -12.898 -6.248 -6.213 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -16.613 -5.551 -5.258 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -15.734 -9.567 -4.222 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -17.582 -7.835 -4.459 1.00 0.00 H new ATOM 224 N PHE A 14 -11.130 -3.531 -5.066 1.00 0.00 N ATOM 225 CA PHE A 14 -9.747 -3.204 -5.366 1.00 0.00 C ATOM 226 C PHE A 14 -9.356 -1.899 -4.687 1.00 0.00 C ATOM 227 O PHE A 14 -10.212 -1.076 -4.351 1.00 0.00 O ATOM 228 CB PHE A 14 -9.501 -3.140 -6.883 1.00 0.00 C ATOM 229 CG PHE A 14 -10.383 -2.178 -7.629 1.00 0.00 C ATOM 230 CD1 PHE A 14 -11.671 -2.541 -7.996 1.00 0.00 C ATOM 231 CD2 PHE A 14 -9.922 -0.920 -7.975 1.00 0.00 C ATOM 232 CE1 PHE A 14 -12.480 -1.663 -8.689 1.00 0.00 C ATOM 233 CE2 PHE A 14 -10.727 -0.041 -8.671 1.00 0.00 C ATOM 234 CZ PHE A 14 -12.007 -0.411 -9.025 1.00 0.00 C ATOM 0 H PHE A 14 -11.768 -2.735 -5.085 1.00 0.00 H new ATOM 0 HA PHE A 14 -9.115 -4.000 -4.972 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -8.461 -2.865 -7.056 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -9.641 -4.137 -7.301 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -12.044 -3.521 -7.737 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -8.922 -0.623 -7.697 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -13.482 -1.956 -8.968 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -10.354 0.937 -8.938 1.00 0.00 H new ATOM 0 HZ PHE A 14 -12.639 0.279 -9.565 1.00 0.00 H new ATOM 244 N LEU A 15 -8.063 -1.715 -4.482 1.00 0.00 N ATOM 245 CA LEU A 15 -7.560 -0.518 -3.823 1.00 0.00 C ATOM 246 C LEU A 15 -7.322 0.604 -4.824 1.00 0.00 C ATOM 247 O LEU A 15 -7.502 1.781 -4.504 1.00 0.00 O ATOM 248 CB LEU A 15 -6.263 -0.827 -3.072 1.00 0.00 C ATOM 249 CG LEU A 15 -6.364 -1.934 -2.023 1.00 0.00 C ATOM 250 CD1 LEU A 15 -5.039 -2.106 -1.299 1.00 0.00 C ATOM 251 CD2 LEU A 15 -7.480 -1.631 -1.035 1.00 0.00 C ATOM 0 H LEU A 15 -7.341 -2.379 -4.762 1.00 0.00 H new ATOM 0 HA LEU A 15 -8.317 -0.188 -3.111 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -5.500 -1.106 -3.798 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.920 0.085 -2.583 1.00 0.00 H new ATOM 0 HG LEU A 15 -6.600 -2.869 -2.531 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -5.130 -2.898 -0.556 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.263 -2.370 -2.018 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -4.772 -1.173 -0.803 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -7.538 -2.429 -0.295 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -7.275 -0.685 -0.533 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -8.428 -1.561 -1.568 1.00 0.00 H new ATOM 263 N GLY A 16 -6.947 0.227 -6.038 1.00 0.00 N ATOM 264 CA GLY A 16 -6.672 1.200 -7.075 1.00 0.00 C ATOM 265 C GLY A 16 -5.419 2.002 -6.793 1.00 0.00 C ATOM 266 O GLY A 16 -5.457 3.228 -6.787 1.00 0.00 O ATOM 0 H GLY A 16 -6.828 -0.745 -6.325 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -6.565 0.688 -8.031 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -7.521 1.877 -7.169 1.00 0.00 H new ATOM 270 N ILE A 17 -4.306 1.311 -6.568 1.00 0.00 N ATOM 271 CA ILE A 17 -3.028 1.971 -6.279 1.00 0.00 C ATOM 272 C ILE A 17 -1.859 1.089 -6.692 1.00 0.00 C ATOM 273 O ILE A 17 -1.527 0.131 -5.996 1.00 0.00 O ATOM 274 CB ILE A 17 -2.857 2.313 -4.778 1.00 0.00 C ATOM 275 CG1 ILE A 17 -3.504 1.242 -3.896 1.00 0.00 C ATOM 276 CG2 ILE A 17 -3.427 3.687 -4.473 1.00 0.00 C ATOM 277 CD1 ILE A 17 -2.847 1.096 -2.537 1.00 0.00 C ATOM 0 H ILE A 17 -4.259 0.292 -6.579 1.00 0.00 H new ATOM 0 HA ILE A 17 -3.037 2.898 -6.853 1.00 0.00 H new ATOM 0 HB ILE A 17 -1.791 2.331 -4.553 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -4.557 1.486 -3.757 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -3.464 0.284 -4.414 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -3.297 3.908 -3.414 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -2.905 4.437 -5.067 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -4.489 3.703 -4.719 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -3.358 0.320 -1.967 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.800 0.821 -2.667 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -2.910 2.042 -1.999 1.00 0.00 H new ATOM 289 N SER A 18 -1.239 1.398 -7.822 1.00 0.00 N ATOM 290 CA SER A 18 -0.117 0.598 -8.294 1.00 0.00 C ATOM 291 C SER A 18 1.128 0.888 -7.463 1.00 0.00 C ATOM 292 O SER A 18 1.509 2.040 -7.259 1.00 0.00 O ATOM 293 CB SER A 18 0.127 0.828 -9.789 1.00 0.00 C ATOM 294 OG SER A 18 0.581 2.149 -10.043 1.00 0.00 O ATOM 0 H SER A 18 -1.488 2.185 -8.422 1.00 0.00 H new ATOM 0 HA SER A 18 -0.361 -0.457 -8.167 1.00 0.00 H new ATOM 0 HB2 SER A 18 0.864 0.112 -10.153 1.00 0.00 H new ATOM 0 HB3 SER A 18 -0.795 0.646 -10.342 1.00 0.00 H new ATOM 0 HG SER A 18 -0.109 2.643 -10.534 1.00 0.00 H new ATOM 300 N ILE A 19 1.741 -0.170 -6.954 1.00 0.00 N ATOM 301 CA ILE A 19 2.919 -0.037 -6.113 1.00 0.00 C ATOM 302 C ILE A 19 4.188 0.147 -6.934 1.00 0.00 C ATOM 303 O ILE A 19 4.464 -0.621 -7.857 1.00 0.00 O ATOM 304 CB ILE A 19 3.096 -1.264 -5.188 1.00 0.00 C ATOM 305 CG1 ILE A 19 1.747 -1.708 -4.601 1.00 0.00 C ATOM 306 CG2 ILE A 19 4.084 -0.944 -4.074 1.00 0.00 C ATOM 307 CD1 ILE A 19 1.029 -0.623 -3.828 1.00 0.00 C ATOM 0 H ILE A 19 1.441 -1.132 -7.110 1.00 0.00 H new ATOM 0 HA ILE A 19 2.759 0.854 -5.506 1.00 0.00 H new ATOM 0 HB ILE A 19 3.492 -2.088 -5.782 1.00 0.00 H new ATOM 0 HG12 ILE A 19 1.104 -2.050 -5.412 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.911 -2.562 -3.943 1.00 0.00 H new ATOM 0 HG21 ILE A 19 4.200 -1.815 -3.429 1.00 0.00 H new ATOM 0 HG22 ILE A 19 5.049 -0.682 -4.508 1.00 0.00 H new ATOM 0 HG23 ILE A 19 3.711 -0.105 -3.486 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.086 -1.013 -3.445 1.00 0.00 H new ATOM 0 HD12 ILE A 19 1.652 -0.297 -2.995 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.832 0.223 -4.486 1.00 0.00 H new ATOM 319 N VAL A 20 4.947 1.177 -6.597 1.00 0.00 N ATOM 320 CA VAL A 20 6.201 1.464 -7.267 1.00 0.00 C ATOM 321 C VAL A 20 7.349 1.341 -6.266 1.00 0.00 C ATOM 322 O VAL A 20 7.407 2.086 -5.287 1.00 0.00 O ATOM 323 CB VAL A 20 6.200 2.874 -7.895 1.00 0.00 C ATOM 324 CG1 VAL A 20 7.580 3.244 -8.416 1.00 0.00 C ATOM 325 CG2 VAL A 20 5.170 2.958 -9.013 1.00 0.00 C ATOM 0 H VAL A 20 4.711 1.834 -5.854 1.00 0.00 H new ATOM 0 HA VAL A 20 6.330 0.743 -8.074 1.00 0.00 H new ATOM 0 HB VAL A 20 5.931 3.588 -7.117 1.00 0.00 H new ATOM 0 HG11 VAL A 20 7.548 4.242 -8.853 1.00 0.00 H new ATOM 0 HG12 VAL A 20 8.295 3.230 -7.594 1.00 0.00 H new ATOM 0 HG13 VAL A 20 7.887 2.525 -9.176 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.183 3.959 -9.445 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.410 2.227 -9.785 1.00 0.00 H new ATOM 0 HG23 VAL A 20 4.179 2.749 -8.611 1.00 0.00 H new ATOM 335 N GLY A 21 8.238 0.388 -6.496 1.00 0.00 N ATOM 336 CA GLY A 21 9.351 0.183 -5.594 1.00 0.00 C ATOM 337 C GLY A 21 10.579 0.970 -5.991 1.00 0.00 C ATOM 338 O GLY A 21 10.978 0.965 -7.155 1.00 0.00 O ATOM 0 H GLY A 21 8.209 -0.248 -7.293 1.00 0.00 H new ATOM 0 HA2 GLY A 21 9.053 0.468 -4.585 1.00 0.00 H new ATOM 0 HA3 GLY A 21 9.599 -0.878 -5.565 1.00 0.00 H new ATOM 342 N GLN A 22 11.176 1.648 -5.023 1.00 0.00 N ATOM 343 CA GLN A 22 12.371 2.437 -5.268 1.00 0.00 C ATOM 344 C GLN A 22 13.609 1.575 -5.059 1.00 0.00 C ATOM 345 O GLN A 22 14.036 1.339 -3.926 1.00 0.00 O ATOM 346 CB GLN A 22 12.409 3.656 -4.341 1.00 0.00 C ATOM 347 CG GLN A 22 13.636 4.537 -4.534 1.00 0.00 C ATOM 348 CD GLN A 22 13.744 5.634 -3.489 1.00 0.00 C ATOM 349 OE1 GLN A 22 13.220 5.382 -2.301 1.00 0.00 O flip ATOM 350 NE2 GLN A 22 14.300 6.700 -3.746 1.00 0.00 N flip ATOM 0 H GLN A 22 10.850 1.667 -4.057 1.00 0.00 H new ATOM 0 HA GLN A 22 12.354 2.792 -6.299 1.00 0.00 H new ATOM 0 HB2 GLN A 22 11.514 4.255 -4.507 1.00 0.00 H new ATOM 0 HB3 GLN A 22 12.377 3.315 -3.306 1.00 0.00 H new ATOM 0 HG2 GLN A 22 14.532 3.917 -4.497 1.00 0.00 H new ATOM 0 HG3 GLN A 22 13.601 4.988 -5.526 1.00 0.00 H new ATOM 0 HE21 GLN A 22 14.693 6.860 -4.674 1.00 0.00 H new ATOM 0 HE22 GLN A 22 14.368 7.425 -3.032 1.00 0.00 H new ATOM 359 N SER A 23 14.161 1.084 -6.150 1.00 0.00 N ATOM 360 CA SER A 23 15.342 0.249 -6.094 1.00 0.00 C ATOM 361 C SER A 23 16.554 0.999 -6.634 1.00 0.00 C ATOM 362 O SER A 23 16.697 1.184 -7.843 1.00 0.00 O ATOM 363 CB SER A 23 15.109 -1.036 -6.890 1.00 0.00 C ATOM 364 OG SER A 23 13.974 -1.739 -6.402 1.00 0.00 O ATOM 0 H SER A 23 13.807 1.251 -7.092 1.00 0.00 H new ATOM 0 HA SER A 23 15.539 -0.011 -5.054 1.00 0.00 H new ATOM 0 HB2 SER A 23 14.966 -0.795 -7.943 1.00 0.00 H new ATOM 0 HB3 SER A 23 15.991 -1.673 -6.825 1.00 0.00 H new ATOM 0 HG SER A 23 14.267 -2.544 -5.927 1.00 0.00 H new ATOM 370 N ASN A 24 17.407 1.454 -5.727 1.00 0.00 N ATOM 371 CA ASN A 24 18.614 2.181 -6.104 1.00 0.00 C ATOM 372 C ASN A 24 19.816 1.240 -6.045 1.00 0.00 C ATOM 373 O ASN A 24 19.708 0.078 -6.438 1.00 0.00 O ATOM 374 CB ASN A 24 18.812 3.392 -5.182 1.00 0.00 C ATOM 375 CG ASN A 24 19.759 4.428 -5.765 1.00 0.00 C ATOM 376 OD1 ASN A 24 19.870 4.576 -6.982 1.00 0.00 O ATOM 377 ND2 ASN A 24 20.448 5.148 -4.897 1.00 0.00 N ATOM 0 H ASN A 24 17.286 1.333 -4.721 1.00 0.00 H new ATOM 0 HA ASN A 24 18.514 2.551 -7.124 1.00 0.00 H new ATOM 0 HB2 ASN A 24 17.846 3.858 -4.989 1.00 0.00 H new ATOM 0 HB3 ASN A 24 19.199 3.052 -4.222 1.00 0.00 H new ATOM 0 HD21 ASN A 24 21.101 5.858 -5.228 1.00 0.00 H new ATOM 0 HD22 ASN A 24 20.326 4.994 -3.896 1.00 0.00 H new ATOM 384 N ASP A 25 20.951 1.723 -5.548 1.00 0.00 N ATOM 385 CA ASP A 25 22.151 0.901 -5.456 1.00 0.00 C ATOM 386 C ASP A 25 22.048 -0.076 -4.292 1.00 0.00 C ATOM 387 O ASP A 25 22.377 -1.256 -4.423 1.00 0.00 O ATOM 388 CB ASP A 25 23.399 1.776 -5.293 1.00 0.00 C ATOM 389 CG ASP A 25 23.974 2.236 -6.619 1.00 0.00 C ATOM 390 OD1 ASP A 25 24.096 1.404 -7.542 1.00 0.00 O ATOM 391 OD2 ASP A 25 24.309 3.434 -6.742 1.00 0.00 O ATOM 0 H ASP A 25 21.064 2.677 -5.204 1.00 0.00 H new ATOM 0 HA ASP A 25 22.239 0.335 -6.383 1.00 0.00 H new ATOM 0 HB2 ASP A 25 23.149 2.648 -4.689 1.00 0.00 H new ATOM 0 HB3 ASP A 25 24.159 1.218 -4.747 1.00 0.00 H new ATOM 396 N ARG A 26 21.586 0.420 -3.151 1.00 0.00 N ATOM 397 CA ARG A 26 21.442 -0.413 -1.965 1.00 0.00 C ATOM 398 C ARG A 26 20.259 -1.367 -2.107 1.00 0.00 C ATOM 399 O ARG A 26 20.415 -2.581 -2.007 1.00 0.00 O ATOM 400 CB ARG A 26 21.272 0.453 -0.714 1.00 0.00 C ATOM 401 CG ARG A 26 22.466 1.350 -0.424 1.00 0.00 C ATOM 402 CD ARG A 26 23.585 0.601 0.281 1.00 0.00 C ATOM 403 NE ARG A 26 24.726 1.477 0.551 1.00 0.00 N ATOM 404 CZ ARG A 26 24.854 2.212 1.653 1.00 0.00 C ATOM 405 NH1 ARG A 26 23.952 2.120 2.624 1.00 0.00 N ATOM 406 NH2 ARG A 26 25.890 3.028 1.791 1.00 0.00 N ATOM 0 H ARG A 26 21.305 1.392 -3.022 1.00 0.00 H new ATOM 0 HA ARG A 26 22.351 -1.005 -1.861 1.00 0.00 H new ATOM 0 HB2 ARG A 26 20.383 1.073 -0.830 1.00 0.00 H new ATOM 0 HB3 ARG A 26 21.099 -0.195 0.145 1.00 0.00 H new ATOM 0 HG2 ARG A 26 22.842 1.766 -1.359 1.00 0.00 H new ATOM 0 HG3 ARG A 26 22.147 2.190 0.194 1.00 0.00 H new ATOM 0 HD2 ARG A 26 23.213 0.186 1.218 1.00 0.00 H new ATOM 0 HD3 ARG A 26 23.907 -0.239 -0.334 1.00 0.00 H new ATOM 0 HE ARG A 26 25.468 1.527 -0.147 1.00 0.00 H new ATOM 0 HH11 ARG A 26 23.160 1.485 2.526 1.00 0.00 H new ATOM 0 HH12 ARG A 26 24.052 2.684 3.468 1.00 0.00 H new ATOM 0 HH21 ARG A 26 26.590 3.093 1.052 1.00 0.00 H new ATOM 0 HH22 ARG A 26 25.987 3.591 2.636 1.00 0.00 H new ATOM 420 N GLY A 27 19.078 -0.812 -2.341 1.00 0.00 N ATOM 421 CA GLY A 27 17.894 -1.634 -2.495 1.00 0.00 C ATOM 422 C GLY A 27 16.828 -1.324 -1.464 1.00 0.00 C ATOM 423 O GLY A 27 15.641 -1.543 -1.708 1.00 0.00 O ATOM 0 H GLY A 27 18.918 0.192 -2.427 1.00 0.00 H new ATOM 0 HA2 GLY A 27 17.482 -1.487 -3.493 1.00 0.00 H new ATOM 0 HA3 GLY A 27 18.174 -2.685 -2.418 1.00 0.00 H new ATOM 427 N ASP A 28 17.241 -0.799 -0.323 1.00 0.00 N ATOM 428 CA ASP A 28 16.310 -0.462 0.748 1.00 0.00 C ATOM 429 C ASP A 28 15.709 0.922 0.527 1.00 0.00 C ATOM 430 O ASP A 28 15.781 1.795 1.393 1.00 0.00 O ATOM 431 CB ASP A 28 17.000 -0.536 2.119 1.00 0.00 C ATOM 432 CG ASP A 28 18.454 -0.098 2.093 1.00 0.00 C ATOM 433 OD1 ASP A 28 18.719 1.111 1.925 1.00 0.00 O ATOM 434 OD2 ASP A 28 19.340 -0.967 2.249 1.00 0.00 O ATOM 0 H ASP A 28 18.218 -0.595 -0.111 1.00 0.00 H new ATOM 0 HA ASP A 28 15.502 -1.194 0.733 1.00 0.00 H new ATOM 0 HB2 ASP A 28 16.454 0.089 2.825 1.00 0.00 H new ATOM 0 HB3 ASP A 28 16.944 -1.560 2.490 1.00 0.00 H new ATOM 439 N GLY A 29 15.116 1.115 -0.645 1.00 0.00 N ATOM 440 CA GLY A 29 14.511 2.389 -0.971 1.00 0.00 C ATOM 441 C GLY A 29 13.094 2.501 -0.443 1.00 0.00 C ATOM 442 O GLY A 29 12.704 3.537 0.098 1.00 0.00 O ATOM 0 H GLY A 29 15.044 0.408 -1.377 1.00 0.00 H new ATOM 0 HA2 GLY A 29 15.117 3.194 -0.555 1.00 0.00 H new ATOM 0 HA3 GLY A 29 14.505 2.521 -2.053 1.00 0.00 H new ATOM 446 N GLY A 30 12.322 1.436 -0.606 1.00 0.00 N ATOM 447 CA GLY A 30 10.952 1.434 -0.136 1.00 0.00 C ATOM 448 C GLY A 30 9.959 1.514 -1.276 1.00 0.00 C ATOM 449 O GLY A 30 10.334 1.802 -2.416 1.00 0.00 O ATOM 0 H GLY A 30 12.621 0.571 -1.057 1.00 0.00 H new ATOM 0 HA2 GLY A 30 10.768 0.528 0.441 1.00 0.00 H new ATOM 0 HA3 GLY A 30 10.799 2.277 0.537 1.00 0.00 H new ATOM 453 N ILE A 31 8.693 1.257 -0.980 1.00 0.00 N ATOM 454 CA ILE A 31 7.655 1.300 -1.997 1.00 0.00 C ATOM 455 C ILE A 31 6.771 2.527 -1.824 1.00 0.00 C ATOM 456 O ILE A 31 6.417 2.903 -0.702 1.00 0.00 O ATOM 457 CB ILE A 31 6.779 0.028 -1.977 1.00 0.00 C ATOM 458 CG1 ILE A 31 6.284 -0.273 -0.557 1.00 0.00 C ATOM 459 CG2 ILE A 31 7.559 -1.156 -2.532 1.00 0.00 C ATOM 460 CD1 ILE A 31 5.196 -1.330 -0.506 1.00 0.00 C ATOM 0 H ILE A 31 8.361 1.017 -0.046 1.00 0.00 H new ATOM 0 HA ILE A 31 8.161 1.355 -2.961 1.00 0.00 H new ATOM 0 HB ILE A 31 5.908 0.201 -2.609 1.00 0.00 H new ATOM 0 HG12 ILE A 31 7.127 -0.601 0.051 1.00 0.00 H new ATOM 0 HG13 ILE A 31 5.907 0.647 -0.110 1.00 0.00 H new ATOM 0 HG21 ILE A 31 6.931 -2.047 -2.513 1.00 0.00 H new ATOM 0 HG22 ILE A 31 7.859 -0.945 -3.559 1.00 0.00 H new ATOM 0 HG23 ILE A 31 8.447 -1.325 -1.922 1.00 0.00 H new ATOM 0 HD11 ILE A 31 4.894 -1.492 0.529 1.00 0.00 H new ATOM 0 HD12 ILE A 31 4.336 -0.996 -1.087 1.00 0.00 H new ATOM 0 HD13 ILE A 31 5.575 -2.263 -0.923 1.00 0.00 H new ATOM 472 N TYR A 32 6.428 3.152 -2.937 1.00 0.00 N ATOM 473 CA TYR A 32 5.592 4.341 -2.921 1.00 0.00 C ATOM 474 C TYR A 32 4.350 4.127 -3.777 1.00 0.00 C ATOM 475 O TYR A 32 4.335 3.266 -4.663 1.00 0.00 O ATOM 476 CB TYR A 32 6.358 5.559 -3.455 1.00 0.00 C ATOM 477 CG TYR A 32 7.625 5.891 -2.696 1.00 0.00 C ATOM 478 CD1 TYR A 32 8.829 5.276 -3.010 1.00 0.00 C ATOM 479 CD2 TYR A 32 7.614 6.821 -1.666 1.00 0.00 C ATOM 480 CE1 TYR A 32 9.987 5.582 -2.323 1.00 0.00 C ATOM 481 CE2 TYR A 32 8.769 7.133 -0.973 1.00 0.00 C ATOM 482 CZ TYR A 32 9.950 6.509 -1.305 1.00 0.00 C ATOM 483 OH TYR A 32 11.107 6.823 -0.624 1.00 0.00 O ATOM 0 H TYR A 32 6.717 2.854 -3.869 1.00 0.00 H new ATOM 0 HA TYR A 32 5.301 4.526 -1.887 1.00 0.00 H new ATOM 0 HB2 TYR A 32 6.612 5.382 -4.500 1.00 0.00 H new ATOM 0 HB3 TYR A 32 5.698 6.426 -3.430 1.00 0.00 H new ATOM 0 HD1 TYR A 32 8.861 4.546 -3.805 1.00 0.00 H new ATOM 0 HD2 TYR A 32 6.688 7.309 -1.401 1.00 0.00 H new ATOM 0 HE1 TYR A 32 10.917 5.097 -2.582 1.00 0.00 H new ATOM 0 HE2 TYR A 32 8.745 7.862 -0.176 1.00 0.00 H new ATOM 0 HH TYR A 32 11.873 6.409 -1.073 1.00 0.00 H new ATOM 493 N ILE A 33 3.315 4.909 -3.504 1.00 0.00 N ATOM 494 CA ILE A 33 2.077 4.836 -4.264 1.00 0.00 C ATOM 495 C ILE A 33 2.294 5.439 -5.647 1.00 0.00 C ATOM 496 O ILE A 33 2.579 6.629 -5.770 1.00 0.00 O ATOM 497 CB ILE A 33 0.931 5.586 -3.549 1.00 0.00 C ATOM 498 CG1 ILE A 33 0.634 4.940 -2.191 1.00 0.00 C ATOM 499 CG2 ILE A 33 -0.324 5.618 -4.416 1.00 0.00 C ATOM 500 CD1 ILE A 33 0.299 3.463 -2.266 1.00 0.00 C ATOM 0 H ILE A 33 3.309 5.604 -2.758 1.00 0.00 H new ATOM 0 HA ILE A 33 1.793 3.787 -4.352 1.00 0.00 H new ATOM 0 HB ILE A 33 1.250 6.615 -3.380 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.499 5.072 -1.541 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.199 5.467 -1.725 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.116 6.151 -3.890 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.105 6.127 -5.355 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.649 4.598 -4.623 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.102 3.083 -1.263 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.585 3.322 -2.888 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.139 2.921 -2.701 1.00 0.00 H new ATOM 512 N GLY A 34 2.172 4.610 -6.672 1.00 0.00 N ATOM 513 CA GLY A 34 2.378 5.069 -8.030 1.00 0.00 C ATOM 514 C GLY A 34 1.183 5.805 -8.595 1.00 0.00 C ATOM 515 O GLY A 34 1.123 7.033 -8.553 1.00 0.00 O ATOM 0 H GLY A 34 1.933 3.622 -6.587 1.00 0.00 H new ATOM 0 HA2 GLY A 34 3.248 5.725 -8.057 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.604 4.213 -8.666 1.00 0.00 H new ATOM 519 N SER A 35 0.233 5.064 -9.137 1.00 0.00 N ATOM 520 CA SER A 35 -0.951 5.672 -9.723 1.00 0.00 C ATOM 521 C SER A 35 -2.216 5.187 -9.031 1.00 0.00 C ATOM 522 O SER A 35 -2.352 3.997 -8.729 1.00 0.00 O ATOM 523 CB SER A 35 -1.015 5.349 -11.215 1.00 0.00 C ATOM 524 OG SER A 35 0.281 5.382 -11.787 1.00 0.00 O ATOM 0 H SER A 35 0.256 4.045 -9.184 1.00 0.00 H new ATOM 0 HA SER A 35 -0.884 6.751 -9.588 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.458 4.364 -11.361 1.00 0.00 H new ATOM 0 HB3 SER A 35 -1.660 6.067 -11.721 1.00 0.00 H new ATOM 0 HG SER A 35 0.222 5.171 -12.742 1.00 0.00 H new ATOM 530 N ILE A 36 -3.129 6.115 -8.773 1.00 0.00 N ATOM 531 CA ILE A 36 -4.396 5.795 -8.135 1.00 0.00 C ATOM 532 C ILE A 36 -5.468 5.601 -9.199 1.00 0.00 C ATOM 533 O ILE A 36 -5.569 6.391 -10.140 1.00 0.00 O ATOM 534 CB ILE A 36 -4.844 6.907 -7.153 1.00 0.00 C ATOM 535 CG1 ILE A 36 -3.809 7.082 -6.041 1.00 0.00 C ATOM 536 CG2 ILE A 36 -6.212 6.588 -6.558 1.00 0.00 C ATOM 537 CD1 ILE A 36 -4.121 8.215 -5.086 1.00 0.00 C ATOM 0 H ILE A 36 -3.012 7.103 -8.999 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.258 4.877 -7.564 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.924 7.841 -7.709 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.737 6.153 -5.476 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.832 7.258 -6.491 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -6.505 7.383 -5.872 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -6.948 6.510 -7.358 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -6.162 5.643 -6.018 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.342 8.275 -4.326 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -4.164 9.154 -5.637 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -5.082 8.032 -4.606 1.00 0.00 H new ATOM 549 N MET A 37 -6.251 4.545 -9.061 1.00 0.00 N ATOM 550 CA MET A 37 -7.313 4.255 -10.015 1.00 0.00 C ATOM 551 C MET A 37 -8.663 4.658 -9.434 1.00 0.00 C ATOM 552 O MET A 37 -9.011 4.257 -8.320 1.00 0.00 O ATOM 553 CB MET A 37 -7.332 2.767 -10.374 1.00 0.00 C ATOM 554 CG MET A 37 -5.953 2.133 -10.504 1.00 0.00 C ATOM 555 SD MET A 37 -4.898 2.965 -11.710 1.00 0.00 S ATOM 556 CE MET A 37 -3.345 2.112 -11.430 1.00 0.00 C ATOM 0 H MET A 37 -6.173 3.873 -8.298 1.00 0.00 H new ATOM 0 HA MET A 37 -7.122 4.830 -10.921 1.00 0.00 H new ATOM 0 HB2 MET A 37 -7.895 2.229 -9.612 1.00 0.00 H new ATOM 0 HB3 MET A 37 -7.867 2.640 -11.315 1.00 0.00 H new ATOM 0 HG2 MET A 37 -5.461 2.145 -9.531 1.00 0.00 H new ATOM 0 HG3 MET A 37 -6.067 1.087 -10.790 1.00 0.00 H new ATOM 0 HE1 MET A 37 -2.584 2.511 -12.101 1.00 0.00 H new ATOM 0 HE2 MET A 37 -3.030 2.259 -10.397 1.00 0.00 H new ATOM 0 HE3 MET A 37 -3.475 1.047 -11.622 1.00 0.00 H new ATOM 566 N LYS A 38 -9.410 5.460 -10.182 1.00 0.00 N ATOM 567 CA LYS A 38 -10.723 5.918 -9.752 1.00 0.00 C ATOM 568 C LYS A 38 -11.664 4.731 -9.580 1.00 0.00 C ATOM 569 O LYS A 38 -11.945 4.006 -10.532 1.00 0.00 O ATOM 570 CB LYS A 38 -11.292 6.905 -10.775 1.00 0.00 C ATOM 571 CG LYS A 38 -12.583 7.577 -10.333 1.00 0.00 C ATOM 572 CD LYS A 38 -12.372 8.439 -9.096 1.00 0.00 C ATOM 573 CE LYS A 38 -13.640 9.190 -8.716 1.00 0.00 C ATOM 574 NZ LYS A 38 -14.748 8.269 -8.355 1.00 0.00 N ATOM 0 H LYS A 38 -9.125 5.809 -11.097 1.00 0.00 H new ATOM 0 HA LYS A 38 -10.625 6.424 -8.792 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.546 7.673 -10.978 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -11.471 6.378 -11.712 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -12.969 8.193 -11.145 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -13.336 6.817 -10.123 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -12.057 7.811 -8.263 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -11.568 9.151 -9.280 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -13.431 9.852 -7.875 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -13.950 9.821 -9.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -15.545 8.818 -7.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -15.057 7.750 -9.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -14.418 7.594 -7.636 1.00 0.00 H new ATOM 588 N GLY A 39 -12.134 4.532 -8.356 1.00 0.00 N ATOM 589 CA GLY A 39 -13.027 3.428 -8.074 1.00 0.00 C ATOM 590 C GLY A 39 -12.470 2.528 -6.993 1.00 0.00 C ATOM 591 O GLY A 39 -13.186 1.711 -6.411 1.00 0.00 O ATOM 0 H GLY A 39 -11.911 5.118 -7.551 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -13.998 3.814 -7.763 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -13.190 2.849 -8.983 1.00 0.00 H new ATOM 595 N GLY A 40 -11.179 2.678 -6.731 1.00 0.00 N ATOM 596 CA GLY A 40 -10.533 1.887 -5.711 1.00 0.00 C ATOM 597 C GLY A 40 -10.831 2.406 -4.321 1.00 0.00 C ATOM 598 O GLY A 40 -11.275 3.542 -4.163 1.00 0.00 O ATOM 0 H GLY A 40 -10.567 3.338 -7.211 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -10.864 0.852 -5.791 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -9.456 1.891 -5.877 1.00 0.00 H new ATOM 602 N ALA A 41 -10.579 1.577 -3.319 1.00 0.00 N ATOM 603 CA ALA A 41 -10.824 1.948 -1.932 1.00 0.00 C ATOM 604 C ALA A 41 -10.009 3.176 -1.529 1.00 0.00 C ATOM 605 O ALA A 41 -10.472 4.011 -0.757 1.00 0.00 O ATOM 606 CB ALA A 41 -10.507 0.777 -1.020 1.00 0.00 C ATOM 0 H ALA A 41 -10.203 0.637 -3.441 1.00 0.00 H new ATOM 0 HA ALA A 41 -11.878 2.206 -1.831 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -10.693 1.062 0.016 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -11.140 -0.070 -1.282 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -9.460 0.497 -1.137 1.00 0.00 H new ATOM 612 N VAL A 42 -8.805 3.289 -2.077 1.00 0.00 N ATOM 613 CA VAL A 42 -7.934 4.416 -1.773 1.00 0.00 C ATOM 614 C VAL A 42 -8.496 5.703 -2.370 1.00 0.00 C ATOM 615 O VAL A 42 -8.399 6.772 -1.772 1.00 0.00 O ATOM 616 CB VAL A 42 -6.506 4.173 -2.304 1.00 0.00 C ATOM 617 CG1 VAL A 42 -5.626 5.395 -2.085 1.00 0.00 C ATOM 618 CG2 VAL A 42 -5.896 2.946 -1.641 1.00 0.00 C ATOM 0 H VAL A 42 -8.411 2.615 -2.733 1.00 0.00 H new ATOM 0 HA VAL A 42 -7.887 4.517 -0.689 1.00 0.00 H new ATOM 0 HB VAL A 42 -6.568 3.993 -3.377 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -4.625 5.196 -2.468 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -6.053 6.249 -2.610 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.569 5.616 -1.019 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -4.889 2.787 -2.026 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -5.853 3.099 -0.563 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -6.509 2.072 -1.859 1.00 0.00 H new ATOM 628 N ALA A 43 -9.126 5.582 -3.536 1.00 0.00 N ATOM 629 CA ALA A 43 -9.709 6.734 -4.219 1.00 0.00 C ATOM 630 C ALA A 43 -10.978 7.206 -3.515 1.00 0.00 C ATOM 631 O ALA A 43 -11.557 8.236 -3.873 1.00 0.00 O ATOM 632 CB ALA A 43 -10.010 6.397 -5.673 1.00 0.00 C ATOM 0 H ALA A 43 -9.246 4.697 -4.028 1.00 0.00 H new ATOM 0 HA ALA A 43 -8.980 7.544 -4.189 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -10.444 7.267 -6.166 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -9.087 6.115 -6.180 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -10.715 5.567 -5.716 1.00 0.00 H new ATOM 638 N ALA A 44 -11.413 6.443 -2.523 1.00 0.00 N ATOM 639 CA ALA A 44 -12.606 6.780 -1.761 1.00 0.00 C ATOM 640 C ALA A 44 -12.248 7.593 -0.521 1.00 0.00 C ATOM 641 O ALA A 44 -13.072 8.355 -0.008 1.00 0.00 O ATOM 642 CB ALA A 44 -13.348 5.515 -1.363 1.00 0.00 C ATOM 0 H ALA A 44 -10.954 5.582 -2.226 1.00 0.00 H new ATOM 0 HA ALA A 44 -13.254 7.388 -2.392 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -14.239 5.780 -0.793 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -13.640 4.967 -2.259 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -12.698 4.890 -0.751 1.00 0.00 H new ATOM 648 N ASP A 45 -11.016 7.427 -0.048 1.00 0.00 N ATOM 649 CA ASP A 45 -10.543 8.138 1.138 1.00 0.00 C ATOM 650 C ASP A 45 -10.185 9.584 0.802 1.00 0.00 C ATOM 651 O ASP A 45 -10.906 10.509 1.179 1.00 0.00 O ATOM 652 CB ASP A 45 -9.340 7.423 1.752 1.00 0.00 C ATOM 653 CG ASP A 45 -9.026 7.942 3.140 1.00 0.00 C ATOM 654 OD1 ASP A 45 -9.584 7.402 4.122 1.00 0.00 O ATOM 655 OD2 ASP A 45 -8.227 8.892 3.254 1.00 0.00 O ATOM 0 H ASP A 45 -10.325 6.805 -0.468 1.00 0.00 H new ATOM 0 HA ASP A 45 -11.352 8.147 1.868 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -9.539 6.352 1.801 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -8.470 7.557 1.109 1.00 0.00 H new ATOM 660 N GLY A 46 -9.068 9.782 0.106 1.00 0.00 N ATOM 661 CA GLY A 46 -8.669 11.125 -0.283 1.00 0.00 C ATOM 662 C GLY A 46 -7.413 11.626 0.413 1.00 0.00 C ATOM 663 O GLY A 46 -6.941 12.726 0.124 1.00 0.00 O ATOM 0 H GLY A 46 -8.435 9.041 -0.194 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -8.507 11.147 -1.361 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -9.488 11.812 -0.070 1.00 0.00 H new ATOM 667 N ARG A 47 -6.869 10.845 1.339 1.00 0.00 N ATOM 668 CA ARG A 47 -5.663 11.259 2.053 1.00 0.00 C ATOM 669 C ARG A 47 -4.397 10.732 1.385 1.00 0.00 C ATOM 670 O ARG A 47 -3.338 11.354 1.473 1.00 0.00 O ATOM 671 CB ARG A 47 -5.717 10.811 3.512 1.00 0.00 C ATOM 672 CG ARG A 47 -6.561 11.720 4.388 1.00 0.00 C ATOM 673 CD ARG A 47 -6.805 11.104 5.751 1.00 0.00 C ATOM 674 NE ARG A 47 -7.618 9.894 5.666 1.00 0.00 N ATOM 675 CZ ARG A 47 -8.042 9.209 6.725 1.00 0.00 C ATOM 676 NH1 ARG A 47 -7.724 9.609 7.951 1.00 0.00 N ATOM 677 NH2 ARG A 47 -8.781 8.121 6.557 1.00 0.00 N ATOM 0 H ARG A 47 -7.236 9.933 1.612 1.00 0.00 H new ATOM 0 HA ARG A 47 -5.627 12.348 2.019 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -6.117 9.798 3.559 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -4.703 10.772 3.911 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -6.061 12.681 4.506 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -7.515 11.915 3.899 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -5.849 10.867 6.218 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -7.302 11.831 6.394 1.00 0.00 H new ATOM 0 HE ARG A 47 -7.876 9.554 4.740 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -7.153 10.444 8.083 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -8.051 9.081 8.760 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -9.024 7.810 5.617 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -9.106 7.595 7.368 1.00 0.00 H new ATOM 691 N ILE A 48 -4.507 9.594 0.715 1.00 0.00 N ATOM 692 CA ILE A 48 -3.361 9.004 0.034 1.00 0.00 C ATOM 693 C ILE A 48 -3.248 9.554 -1.384 1.00 0.00 C ATOM 694 O ILE A 48 -4.252 9.697 -2.084 1.00 0.00 O ATOM 695 CB ILE A 48 -3.456 7.462 -0.020 1.00 0.00 C ATOM 696 CG1 ILE A 48 -3.673 6.891 1.384 1.00 0.00 C ATOM 697 CG2 ILE A 48 -2.201 6.876 -0.650 1.00 0.00 C ATOM 698 CD1 ILE A 48 -3.632 5.379 1.440 1.00 0.00 C ATOM 0 H ILE A 48 -5.373 9.062 0.628 1.00 0.00 H new ATOM 0 HA ILE A 48 -2.472 9.271 0.606 1.00 0.00 H new ATOM 0 HB ILE A 48 -4.311 7.187 -0.638 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -2.909 7.291 2.051 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -4.637 7.234 1.761 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -2.283 5.790 -0.681 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -2.089 7.261 -1.664 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -1.331 7.158 -0.057 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -3.793 5.048 2.466 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -4.413 4.970 0.800 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -2.659 5.028 1.095 1.00 0.00 H new ATOM 710 N GLU A 49 -2.030 9.869 -1.796 1.00 0.00 N ATOM 711 CA GLU A 49 -1.786 10.411 -3.126 1.00 0.00 C ATOM 712 C GLU A 49 -0.503 9.820 -3.713 1.00 0.00 C ATOM 713 O GLU A 49 0.316 9.258 -2.981 1.00 0.00 O ATOM 714 CB GLU A 49 -1.704 11.942 -3.056 1.00 0.00 C ATOM 715 CG GLU A 49 -0.648 12.455 -2.091 1.00 0.00 C ATOM 716 CD GLU A 49 -0.851 13.910 -1.724 1.00 0.00 C ATOM 717 OE1 GLU A 49 -0.825 14.766 -2.630 1.00 0.00 O ATOM 718 OE2 GLU A 49 -1.033 14.206 -0.522 1.00 0.00 O ATOM 0 H GLU A 49 -1.191 9.758 -1.227 1.00 0.00 H new ATOM 0 HA GLU A 49 -2.613 10.138 -3.782 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -1.493 12.331 -4.052 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -2.676 12.336 -2.759 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -0.665 11.850 -1.185 1.00 0.00 H new ATOM 0 HG3 GLU A 49 0.338 12.331 -2.538 1.00 0.00 H new ATOM 725 N PRO A 50 -0.318 9.912 -5.045 1.00 0.00 N ATOM 726 CA PRO A 50 0.875 9.383 -5.712 1.00 0.00 C ATOM 727 C PRO A 50 2.159 9.988 -5.154 1.00 0.00 C ATOM 728 O PRO A 50 2.475 11.149 -5.416 1.00 0.00 O ATOM 729 CB PRO A 50 0.689 9.790 -7.175 1.00 0.00 C ATOM 730 CG PRO A 50 -0.775 10.009 -7.328 1.00 0.00 C ATOM 731 CD PRO A 50 -1.254 10.528 -6.004 1.00 0.00 C ATOM 0 HA PRO A 50 0.973 8.307 -5.570 1.00 0.00 H new ATOM 0 HB2 PRO A 50 1.250 10.695 -7.408 1.00 0.00 H new ATOM 0 HB3 PRO A 50 1.045 9.012 -7.850 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -0.982 10.723 -8.125 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -1.283 9.081 -7.591 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -1.217 11.617 -5.961 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -2.285 10.236 -5.805 1.00 0.00 H new ATOM 739 N GLY A 51 2.895 9.197 -4.394 1.00 0.00 N ATOM 740 CA GLY A 51 4.125 9.671 -3.800 1.00 0.00 C ATOM 741 C GLY A 51 4.245 9.245 -2.354 1.00 0.00 C ATOM 742 O GLY A 51 5.339 9.237 -1.791 1.00 0.00 O ATOM 0 H GLY A 51 2.661 8.228 -4.176 1.00 0.00 H new ATOM 0 HA2 GLY A 51 4.974 9.287 -4.365 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.165 10.758 -3.864 1.00 0.00 H new ATOM 746 N ASP A 52 3.113 8.900 -1.750 1.00 0.00 N ATOM 747 CA ASP A 52 3.091 8.457 -0.359 1.00 0.00 C ATOM 748 C ASP A 52 3.800 7.115 -0.237 1.00 0.00 C ATOM 749 O ASP A 52 3.629 6.240 -1.087 1.00 0.00 O ATOM 750 CB ASP A 52 1.650 8.324 0.152 1.00 0.00 C ATOM 751 CG ASP A 52 0.918 9.652 0.244 1.00 0.00 C ATOM 752 OD1 ASP A 52 1.577 10.711 0.277 1.00 0.00 O ATOM 753 OD2 ASP A 52 -0.327 9.644 0.288 1.00 0.00 O ATOM 0 H ASP A 52 2.198 8.918 -2.201 1.00 0.00 H new ATOM 0 HA ASP A 52 3.605 9.203 0.247 1.00 0.00 H new ATOM 0 HB2 ASP A 52 1.097 7.658 -0.511 1.00 0.00 H new ATOM 0 HB3 ASP A 52 1.663 7.856 1.136 1.00 0.00 H new ATOM 758 N MET A 53 4.601 6.956 0.804 1.00 0.00 N ATOM 759 CA MET A 53 5.340 5.715 1.013 1.00 0.00 C ATOM 760 C MET A 53 4.547 4.739 1.868 1.00 0.00 C ATOM 761 O MET A 53 3.939 5.128 2.861 1.00 0.00 O ATOM 762 CB MET A 53 6.688 5.998 1.678 1.00 0.00 C ATOM 763 CG MET A 53 7.501 4.744 1.940 1.00 0.00 C ATOM 764 SD MET A 53 9.140 5.102 2.593 1.00 0.00 S ATOM 765 CE MET A 53 9.710 3.448 2.969 1.00 0.00 C ATOM 0 H MET A 53 4.758 7.667 1.518 1.00 0.00 H new ATOM 0 HA MET A 53 5.508 5.264 0.035 1.00 0.00 H new ATOM 0 HB2 MET A 53 7.265 6.671 1.043 1.00 0.00 H new ATOM 0 HB3 MET A 53 6.518 6.517 2.621 1.00 0.00 H new ATOM 0 HG2 MET A 53 6.964 4.109 2.645 1.00 0.00 H new ATOM 0 HG3 MET A 53 7.599 4.179 1.013 1.00 0.00 H new ATOM 0 HE1 MET A 53 10.794 3.405 2.866 1.00 0.00 H new ATOM 0 HE2 MET A 53 9.432 3.191 3.991 1.00 0.00 H new ATOM 0 HE3 MET A 53 9.252 2.740 2.279 1.00 0.00 H new ATOM 775 N LEU A 54 4.558 3.473 1.475 1.00 0.00 N ATOM 776 CA LEU A 54 3.856 2.439 2.218 1.00 0.00 C ATOM 777 C LEU A 54 4.781 1.835 3.268 1.00 0.00 C ATOM 778 O LEU A 54 5.801 1.230 2.934 1.00 0.00 O ATOM 779 CB LEU A 54 3.347 1.339 1.276 1.00 0.00 C ATOM 780 CG LEU A 54 1.896 1.485 0.819 1.00 0.00 C ATOM 781 CD1 LEU A 54 1.552 0.400 -0.190 1.00 0.00 C ATOM 782 CD2 LEU A 54 0.954 1.425 2.011 1.00 0.00 C ATOM 0 H LEU A 54 5.046 3.138 0.645 1.00 0.00 H new ATOM 0 HA LEU A 54 2.997 2.894 2.712 1.00 0.00 H new ATOM 0 HB2 LEU A 54 3.987 1.315 0.394 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.457 0.377 1.776 1.00 0.00 H new ATOM 0 HG LEU A 54 1.777 2.456 0.339 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.516 0.514 -0.508 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.209 0.486 -1.055 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.684 -0.579 0.270 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.075 1.531 1.667 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.070 0.468 2.519 1.00 0.00 H new ATOM 0 HD23 LEU A 54 1.190 2.234 2.703 1.00 0.00 H new ATOM 794 N LEU A 55 4.440 2.027 4.534 1.00 0.00 N ATOM 795 CA LEU A 55 5.247 1.497 5.622 1.00 0.00 C ATOM 796 C LEU A 55 4.671 0.180 6.125 1.00 0.00 C ATOM 797 O LEU A 55 5.150 -0.899 5.777 1.00 0.00 O ATOM 798 CB LEU A 55 5.319 2.500 6.779 1.00 0.00 C ATOM 799 CG LEU A 55 5.787 3.907 6.406 1.00 0.00 C ATOM 800 CD1 LEU A 55 5.368 4.899 7.479 1.00 0.00 C ATOM 801 CD2 LEU A 55 7.297 3.939 6.208 1.00 0.00 C ATOM 0 H LEU A 55 3.613 2.544 4.832 1.00 0.00 H new ATOM 0 HA LEU A 55 6.253 1.322 5.239 1.00 0.00 H new ATOM 0 HB2 LEU A 55 4.331 2.574 7.234 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.991 2.103 7.539 1.00 0.00 H new ATOM 0 HG LEU A 55 5.317 4.190 5.464 1.00 0.00 H new ATOM 0 HD11 LEU A 55 5.706 5.898 7.203 1.00 0.00 H new ATOM 0 HD12 LEU A 55 4.282 4.897 7.573 1.00 0.00 H new ATOM 0 HD13 LEU A 55 5.815 4.615 8.432 1.00 0.00 H new ATOM 0 HD21 LEU A 55 7.608 4.950 5.943 1.00 0.00 H new ATOM 0 HD22 LEU A 55 7.792 3.637 7.131 1.00 0.00 H new ATOM 0 HD23 LEU A 55 7.574 3.253 5.407 1.00 0.00 H new ATOM 813 N GLN A 56 3.626 0.278 6.930 1.00 0.00 N ATOM 814 CA GLN A 56 2.989 -0.895 7.502 1.00 0.00 C ATOM 815 C GLN A 56 1.610 -1.113 6.893 1.00 0.00 C ATOM 816 O GLN A 56 0.828 -0.169 6.746 1.00 0.00 O ATOM 817 CB GLN A 56 2.881 -0.741 9.024 1.00 0.00 C ATOM 818 CG GLN A 56 2.175 -1.900 9.711 1.00 0.00 C ATOM 819 CD GLN A 56 2.034 -1.698 11.206 1.00 0.00 C ATOM 820 OE1 GLN A 56 1.064 -2.147 11.814 1.00 0.00 O ATOM 821 NE2 GLN A 56 3.000 -1.027 11.809 1.00 0.00 N ATOM 0 H GLN A 56 3.199 1.163 7.203 1.00 0.00 H new ATOM 0 HA GLN A 56 3.602 -1.768 7.275 1.00 0.00 H new ATOM 0 HB2 GLN A 56 3.883 -0.640 9.441 1.00 0.00 H new ATOM 0 HB3 GLN A 56 2.347 0.182 9.249 1.00 0.00 H new ATOM 0 HG2 GLN A 56 1.186 -2.029 9.271 1.00 0.00 H new ATOM 0 HG3 GLN A 56 2.729 -2.820 9.524 1.00 0.00 H new ATOM 0 HE21 GLN A 56 3.788 -0.671 11.268 1.00 0.00 H new ATOM 0 HE22 GLN A 56 2.957 -0.865 12.815 1.00 0.00 H new ATOM 830 N VAL A 57 1.327 -2.354 6.533 1.00 0.00 N ATOM 831 CA VAL A 57 0.047 -2.712 5.948 1.00 0.00 C ATOM 832 C VAL A 57 -0.547 -3.898 6.692 1.00 0.00 C ATOM 833 O VAL A 57 -0.173 -5.043 6.450 1.00 0.00 O ATOM 834 CB VAL A 57 0.177 -3.051 4.446 1.00 0.00 C ATOM 835 CG1 VAL A 57 -1.154 -3.520 3.875 1.00 0.00 C ATOM 836 CG2 VAL A 57 0.697 -1.853 3.668 1.00 0.00 C ATOM 0 H VAL A 57 1.973 -3.136 6.637 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.612 -1.849 6.040 1.00 0.00 H new ATOM 0 HB VAL A 57 0.895 -3.865 4.347 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.034 -3.752 2.817 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -1.484 -4.412 4.407 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.898 -2.732 3.992 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.781 -2.113 2.613 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.006 -1.018 3.782 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.677 -1.568 4.051 1.00 0.00 H new ATOM 846 N ASN A 58 -1.462 -3.603 7.607 1.00 0.00 N ATOM 847 CA ASN A 58 -2.132 -4.624 8.406 1.00 0.00 C ATOM 848 C ASN A 58 -1.141 -5.389 9.281 1.00 0.00 C ATOM 849 O ASN A 58 -0.833 -6.557 9.023 1.00 0.00 O ATOM 850 CB ASN A 58 -2.920 -5.595 7.516 1.00 0.00 C ATOM 851 CG ASN A 58 -4.297 -5.069 7.166 1.00 0.00 C ATOM 852 OD1 ASN A 58 -4.473 -4.352 6.182 1.00 0.00 O ATOM 853 ND2 ASN A 58 -5.286 -5.423 7.969 1.00 0.00 N ATOM 0 H ASN A 58 -1.761 -2.651 7.817 1.00 0.00 H new ATOM 0 HA ASN A 58 -2.835 -4.111 9.062 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -2.360 -5.779 6.599 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -3.019 -6.553 8.027 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -6.235 -5.100 7.782 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -5.100 -6.019 8.775 1.00 0.00 H new ATOM 860 N ASP A 59 -0.635 -4.698 10.305 1.00 0.00 N ATOM 861 CA ASP A 59 0.313 -5.257 11.284 1.00 0.00 C ATOM 862 C ASP A 59 1.724 -5.429 10.723 1.00 0.00 C ATOM 863 O ASP A 59 2.695 -4.967 11.325 1.00 0.00 O ATOM 864 CB ASP A 59 -0.180 -6.597 11.844 1.00 0.00 C ATOM 865 CG ASP A 59 -1.353 -6.448 12.790 1.00 0.00 C ATOM 866 OD1 ASP A 59 -1.284 -5.600 13.703 1.00 0.00 O ATOM 867 OD2 ASP A 59 -2.354 -7.183 12.626 1.00 0.00 O ATOM 0 H ASP A 59 -0.872 -3.722 10.484 1.00 0.00 H new ATOM 0 HA ASP A 59 0.363 -4.524 12.089 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -0.468 -7.246 11.017 1.00 0.00 H new ATOM 0 HB3 ASP A 59 0.640 -7.090 12.366 1.00 0.00 H new ATOM 872 N VAL A 60 1.847 -6.099 9.582 1.00 0.00 N ATOM 873 CA VAL A 60 3.154 -6.336 8.975 1.00 0.00 C ATOM 874 C VAL A 60 3.770 -5.037 8.457 1.00 0.00 C ATOM 875 O VAL A 60 3.124 -4.258 7.748 1.00 0.00 O ATOM 876 CB VAL A 60 3.087 -7.385 7.839 1.00 0.00 C ATOM 877 CG1 VAL A 60 2.757 -8.759 8.400 1.00 0.00 C ATOM 878 CG2 VAL A 60 2.072 -6.991 6.782 1.00 0.00 C ATOM 0 H VAL A 60 1.061 -6.487 9.060 1.00 0.00 H new ATOM 0 HA VAL A 60 3.794 -6.736 9.761 1.00 0.00 H new ATOM 0 HB VAL A 60 4.068 -7.424 7.366 1.00 0.00 H new ATOM 0 HG11 VAL A 60 2.714 -9.483 7.587 1.00 0.00 H new ATOM 0 HG12 VAL A 60 3.528 -9.057 9.111 1.00 0.00 H new ATOM 0 HG13 VAL A 60 1.792 -8.723 8.905 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.050 -7.749 5.999 1.00 0.00 H new ATOM 0 HG22 VAL A 60 1.085 -6.911 7.237 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.351 -6.030 6.350 1.00 0.00 H new ATOM 888 N ASN A 61 5.021 -4.809 8.829 1.00 0.00 N ATOM 889 CA ASN A 61 5.738 -3.605 8.432 1.00 0.00 C ATOM 890 C ASN A 61 6.767 -3.929 7.351 1.00 0.00 C ATOM 891 O ASN A 61 7.537 -4.884 7.482 1.00 0.00 O ATOM 892 CB ASN A 61 6.418 -2.976 9.653 1.00 0.00 C ATOM 893 CG ASN A 61 6.874 -1.555 9.402 1.00 0.00 C ATOM 894 OD1 ASN A 61 6.462 -0.921 8.437 1.00 0.00 O ATOM 895 ND2 ASN A 61 7.721 -1.043 10.279 1.00 0.00 N ATOM 0 H ASN A 61 5.565 -5.447 9.410 1.00 0.00 H new ATOM 0 HA ASN A 61 5.026 -2.889 8.020 1.00 0.00 H new ATOM 0 HB2 ASN A 61 5.726 -2.987 10.495 1.00 0.00 H new ATOM 0 HB3 ASN A 61 7.277 -3.584 9.938 1.00 0.00 H new ATOM 0 HD21 ASN A 61 8.056 -0.086 10.166 1.00 0.00 H new ATOM 0 HD22 ASN A 61 8.039 -1.605 11.069 1.00 0.00 H new ATOM 902 N PHE A 62 6.778 -3.132 6.284 1.00 0.00 N ATOM 903 CA PHE A 62 7.697 -3.349 5.169 1.00 0.00 C ATOM 904 C PHE A 62 8.906 -2.422 5.244 1.00 0.00 C ATOM 905 O PHE A 62 9.732 -2.398 4.330 1.00 0.00 O ATOM 906 CB PHE A 62 6.976 -3.142 3.834 1.00 0.00 C ATOM 907 CG PHE A 62 5.709 -3.934 3.703 1.00 0.00 C ATOM 908 CD1 PHE A 62 5.673 -5.277 4.047 1.00 0.00 C ATOM 909 CD2 PHE A 62 4.554 -3.338 3.228 1.00 0.00 C ATOM 910 CE1 PHE A 62 4.509 -6.008 3.919 1.00 0.00 C ATOM 911 CE2 PHE A 62 3.388 -4.066 3.095 1.00 0.00 C ATOM 912 CZ PHE A 62 3.364 -5.402 3.442 1.00 0.00 C ATOM 0 H PHE A 62 6.160 -2.329 6.168 1.00 0.00 H new ATOM 0 HA PHE A 62 8.051 -4.377 5.238 1.00 0.00 H new ATOM 0 HB2 PHE A 62 6.746 -2.083 3.716 1.00 0.00 H new ATOM 0 HB3 PHE A 62 7.650 -3.414 3.021 1.00 0.00 H new ATOM 0 HD1 PHE A 62 6.566 -5.757 4.419 1.00 0.00 H new ATOM 0 HD2 PHE A 62 4.565 -2.292 2.958 1.00 0.00 H new ATOM 0 HE1 PHE A 62 4.494 -7.053 4.192 1.00 0.00 H new ATOM 0 HE2 PHE A 62 2.494 -3.590 2.719 1.00 0.00 H new ATOM 0 HZ PHE A 62 2.452 -5.972 3.341 1.00 0.00 H new ATOM 922 N GLU A 63 9.013 -1.674 6.341 1.00 0.00 N ATOM 923 CA GLU A 63 10.123 -0.740 6.541 1.00 0.00 C ATOM 924 C GLU A 63 11.480 -1.439 6.406 1.00 0.00 C ATOM 925 O GLU A 63 12.444 -0.861 5.899 1.00 0.00 O ATOM 926 CB GLU A 63 10.019 -0.073 7.915 1.00 0.00 C ATOM 927 CG GLU A 63 9.097 1.140 7.948 1.00 0.00 C ATOM 928 CD GLU A 63 9.043 1.791 9.314 1.00 0.00 C ATOM 929 OE1 GLU A 63 10.101 2.237 9.808 1.00 0.00 O ATOM 930 OE2 GLU A 63 7.949 1.855 9.911 1.00 0.00 O ATOM 0 H GLU A 63 8.342 -1.696 7.109 1.00 0.00 H new ATOM 0 HA GLU A 63 10.054 0.021 5.763 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.662 -0.807 8.638 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.015 0.232 8.236 1.00 0.00 H new ATOM 0 HG2 GLU A 63 9.437 1.871 7.214 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.092 0.837 7.654 1.00 0.00 H new ATOM 937 N ASN A 64 11.555 -2.683 6.857 1.00 0.00 N ATOM 938 CA ASN A 64 12.794 -3.444 6.773 1.00 0.00 C ATOM 939 C ASN A 64 12.596 -4.693 5.923 1.00 0.00 C ATOM 940 O ASN A 64 12.825 -5.818 6.374 1.00 0.00 O ATOM 941 CB ASN A 64 13.302 -3.814 8.171 1.00 0.00 C ATOM 942 CG ASN A 64 14.722 -4.362 8.156 1.00 0.00 C ATOM 943 OD1 ASN A 64 15.473 -4.167 7.194 1.00 0.00 O ATOM 944 ND2 ASN A 64 15.110 -5.031 9.229 1.00 0.00 N ATOM 0 H ASN A 64 10.776 -3.185 7.283 1.00 0.00 H new ATOM 0 HA ASN A 64 13.548 -2.819 6.295 1.00 0.00 H new ATOM 0 HB2 ASN A 64 13.264 -2.933 8.811 1.00 0.00 H new ATOM 0 HB3 ASN A 64 12.635 -4.556 8.610 1.00 0.00 H new ATOM 0 HD21 ASN A 64 16.057 -5.406 9.282 1.00 0.00 H new ATOM 0 HD22 ASN A 64 14.462 -5.172 10.004 1.00 0.00 H new ATOM 951 N MET A 65 12.154 -4.491 4.691 1.00 0.00 N ATOM 952 CA MET A 65 11.932 -5.592 3.766 1.00 0.00 C ATOM 953 C MET A 65 12.239 -5.146 2.345 1.00 0.00 C ATOM 954 O MET A 65 12.387 -3.949 2.090 1.00 0.00 O ATOM 955 CB MET A 65 10.492 -6.111 3.864 1.00 0.00 C ATOM 956 CG MET A 65 10.319 -7.222 4.889 1.00 0.00 C ATOM 957 SD MET A 65 8.592 -7.551 5.298 1.00 0.00 S ATOM 958 CE MET A 65 7.953 -8.061 3.705 1.00 0.00 C ATOM 0 H MET A 65 11.941 -3.570 4.307 1.00 0.00 H new ATOM 0 HA MET A 65 12.602 -6.408 4.035 1.00 0.00 H new ATOM 0 HB2 MET A 65 9.832 -5.283 4.122 1.00 0.00 H new ATOM 0 HB3 MET A 65 10.178 -6.477 2.886 1.00 0.00 H new ATOM 0 HG2 MET A 65 10.775 -8.135 4.506 1.00 0.00 H new ATOM 0 HG3 MET A 65 10.856 -6.955 5.799 1.00 0.00 H new ATOM 0 HE1 MET A 65 6.863 -8.041 3.727 1.00 0.00 H new ATOM 0 HE2 MET A 65 8.313 -7.380 2.934 1.00 0.00 H new ATOM 0 HE3 MET A 65 8.293 -9.073 3.484 1.00 0.00 H new ATOM 968 N SER A 66 12.360 -6.097 1.433 1.00 0.00 N ATOM 969 CA SER A 66 12.657 -5.786 0.045 1.00 0.00 C ATOM 970 C SER A 66 11.430 -5.199 -0.640 1.00 0.00 C ATOM 971 O SER A 66 10.295 -5.425 -0.204 1.00 0.00 O ATOM 972 CB SER A 66 13.128 -7.041 -0.701 1.00 0.00 C ATOM 973 OG SER A 66 12.064 -7.960 -0.889 1.00 0.00 O ATOM 0 H SER A 66 12.257 -7.092 1.630 1.00 0.00 H new ATOM 0 HA SER A 66 13.459 -5.048 0.023 1.00 0.00 H new ATOM 0 HB2 SER A 66 13.541 -6.757 -1.669 1.00 0.00 H new ATOM 0 HB3 SER A 66 13.930 -7.520 -0.140 1.00 0.00 H new ATOM 0 HG SER A 66 12.195 -8.736 -0.305 1.00 0.00 H new ATOM 979 N ASN A 67 11.658 -4.448 -1.713 1.00 0.00 N ATOM 980 CA ASN A 67 10.567 -3.837 -2.467 1.00 0.00 C ATOM 981 C ASN A 67 9.666 -4.916 -3.050 1.00 0.00 C ATOM 982 O ASN A 67 8.460 -4.724 -3.206 1.00 0.00 O ATOM 983 CB ASN A 67 11.111 -2.942 -3.590 1.00 0.00 C ATOM 984 CG ASN A 67 11.867 -1.730 -3.071 1.00 0.00 C ATOM 985 OD1 ASN A 67 11.578 -1.212 -1.994 1.00 0.00 O ATOM 986 ND2 ASN A 67 12.841 -1.267 -3.838 1.00 0.00 N ATOM 0 H ASN A 67 12.588 -4.247 -2.080 1.00 0.00 H new ATOM 0 HA ASN A 67 9.986 -3.216 -1.785 1.00 0.00 H new ATOM 0 HB2 ASN A 67 11.772 -3.530 -4.227 1.00 0.00 H new ATOM 0 HB3 ASN A 67 10.282 -2.607 -4.213 1.00 0.00 H new ATOM 0 HD21 ASN A 67 13.381 -0.454 -3.542 1.00 0.00 H new ATOM 0 HD22 ASN A 67 13.052 -1.723 -4.725 1.00 0.00 H new ATOM 993 N ASP A 68 10.263 -6.062 -3.352 1.00 0.00 N ATOM 994 CA ASP A 68 9.527 -7.185 -3.914 1.00 0.00 C ATOM 995 C ASP A 68 8.685 -7.870 -2.846 1.00 0.00 C ATOM 996 O ASP A 68 7.490 -8.082 -3.039 1.00 0.00 O ATOM 997 CB ASP A 68 10.485 -8.193 -4.555 1.00 0.00 C ATOM 998 CG ASP A 68 10.594 -8.011 -6.060 1.00 0.00 C ATOM 999 OD1 ASP A 68 11.090 -6.955 -6.506 1.00 0.00 O ATOM 1000 OD2 ASP A 68 10.178 -8.922 -6.808 1.00 0.00 O ATOM 0 H ASP A 68 11.259 -6.238 -3.216 1.00 0.00 H new ATOM 0 HA ASP A 68 8.861 -6.797 -4.685 1.00 0.00 H new ATOM 0 HB2 ASP A 68 11.473 -8.088 -4.106 1.00 0.00 H new ATOM 0 HB3 ASP A 68 10.143 -9.205 -4.338 1.00 0.00 H new ATOM 1005 N ASP A 69 9.303 -8.201 -1.710 1.00 0.00 N ATOM 1006 CA ASP A 69 8.588 -8.868 -0.621 1.00 0.00 C ATOM 1007 C ASP A 69 7.454 -7.999 -0.098 1.00 0.00 C ATOM 1008 O ASP A 69 6.406 -8.512 0.303 1.00 0.00 O ATOM 1009 CB ASP A 69 9.532 -9.229 0.526 1.00 0.00 C ATOM 1010 CG ASP A 69 10.386 -10.442 0.223 1.00 0.00 C ATOM 1011 OD1 ASP A 69 9.828 -11.517 -0.078 1.00 0.00 O ATOM 1012 OD2 ASP A 69 11.627 -10.332 0.295 1.00 0.00 O ATOM 0 H ASP A 69 10.289 -8.020 -1.521 1.00 0.00 H new ATOM 0 HA ASP A 69 8.168 -9.788 -1.028 1.00 0.00 H new ATOM 0 HB2 ASP A 69 10.180 -8.378 0.739 1.00 0.00 H new ATOM 0 HB3 ASP A 69 8.947 -9.418 1.426 1.00 0.00 H new ATOM 1017 N ALA A 70 7.667 -6.687 -0.099 1.00 0.00 N ATOM 1018 CA ALA A 70 6.652 -5.744 0.358 1.00 0.00 C ATOM 1019 C ALA A 70 5.366 -5.918 -0.442 1.00 0.00 C ATOM 1020 O ALA A 70 4.271 -6.000 0.119 1.00 0.00 O ATOM 1021 CB ALA A 70 7.167 -4.319 0.238 1.00 0.00 C ATOM 0 H ALA A 70 8.535 -6.252 -0.412 1.00 0.00 H new ATOM 0 HA ALA A 70 6.434 -5.946 1.407 1.00 0.00 H new ATOM 0 HB1 ALA A 70 6.400 -3.625 0.582 1.00 0.00 H new ATOM 0 HB2 ALA A 70 8.062 -4.203 0.849 1.00 0.00 H new ATOM 0 HB3 ALA A 70 7.408 -4.106 -0.803 1.00 0.00 H new ATOM 1027 N VAL A 71 5.513 -5.999 -1.759 1.00 0.00 N ATOM 1028 CA VAL A 71 4.377 -6.176 -2.649 1.00 0.00 C ATOM 1029 C VAL A 71 3.808 -7.587 -2.507 1.00 0.00 C ATOM 1030 O VAL A 71 2.596 -7.786 -2.570 1.00 0.00 O ATOM 1031 CB VAL A 71 4.766 -5.924 -4.123 1.00 0.00 C ATOM 1032 CG1 VAL A 71 3.567 -6.113 -5.041 1.00 0.00 C ATOM 1033 CG2 VAL A 71 5.349 -4.527 -4.288 1.00 0.00 C ATOM 0 H VAL A 71 6.414 -5.944 -2.234 1.00 0.00 H new ATOM 0 HA VAL A 71 3.621 -5.445 -2.364 1.00 0.00 H new ATOM 0 HB VAL A 71 5.526 -6.653 -4.403 1.00 0.00 H new ATOM 0 HG11 VAL A 71 3.866 -5.930 -6.073 1.00 0.00 H new ATOM 0 HG12 VAL A 71 3.194 -7.133 -4.947 1.00 0.00 H new ATOM 0 HG13 VAL A 71 2.781 -5.412 -4.762 1.00 0.00 H new ATOM 0 HG21 VAL A 71 5.618 -4.366 -5.332 1.00 0.00 H new ATOM 0 HG22 VAL A 71 4.609 -3.786 -3.985 1.00 0.00 H new ATOM 0 HG23 VAL A 71 6.238 -4.428 -3.665 1.00 0.00 H new ATOM 1043 N ARG A 72 4.695 -8.560 -2.300 1.00 0.00 N ATOM 1044 CA ARG A 72 4.294 -9.959 -2.143 1.00 0.00 C ATOM 1045 C ARG A 72 3.306 -10.133 -0.994 1.00 0.00 C ATOM 1046 O ARG A 72 2.253 -10.754 -1.161 1.00 0.00 O ATOM 1047 CB ARG A 72 5.517 -10.848 -1.911 1.00 0.00 C ATOM 1048 CG ARG A 72 6.377 -11.019 -3.151 1.00 0.00 C ATOM 1049 CD ARG A 72 7.612 -11.857 -2.869 1.00 0.00 C ATOM 1050 NE ARG A 72 8.536 -11.851 -4.002 1.00 0.00 N ATOM 1051 CZ ARG A 72 9.853 -12.016 -3.899 1.00 0.00 C ATOM 1052 NH1 ARG A 72 10.425 -12.157 -2.709 1.00 0.00 N ATOM 1053 NH2 ARG A 72 10.606 -12.014 -4.989 1.00 0.00 N ATOM 0 H ARG A 72 5.701 -8.404 -2.237 1.00 0.00 H new ATOM 0 HA ARG A 72 3.801 -10.261 -3.067 1.00 0.00 H new ATOM 0 HB2 ARG A 72 6.123 -10.420 -1.113 1.00 0.00 H new ATOM 0 HB3 ARG A 72 5.186 -11.828 -1.569 1.00 0.00 H new ATOM 0 HG2 ARG A 72 5.790 -11.491 -3.939 1.00 0.00 H new ATOM 0 HG3 ARG A 72 6.679 -10.040 -3.522 1.00 0.00 H new ATOM 0 HD2 ARG A 72 8.119 -11.473 -1.983 1.00 0.00 H new ATOM 0 HD3 ARG A 72 7.314 -12.882 -2.647 1.00 0.00 H new ATOM 0 HE ARG A 72 8.145 -11.711 -4.934 1.00 0.00 H new ATOM 0 HH11 ARG A 72 9.855 -12.139 -1.864 1.00 0.00 H new ATOM 0 HH12 ARG A 72 11.435 -12.283 -2.640 1.00 0.00 H new ATOM 0 HH21 ARG A 72 10.177 -11.886 -5.905 1.00 0.00 H new ATOM 0 HH22 ARG A 72 11.615 -12.140 -4.912 1.00 0.00 H new ATOM 1067 N VAL A 73 3.640 -9.581 0.165 1.00 0.00 N ATOM 1068 CA VAL A 73 2.769 -9.679 1.331 1.00 0.00 C ATOM 1069 C VAL A 73 1.478 -8.907 1.087 1.00 0.00 C ATOM 1070 O VAL A 73 0.392 -9.356 1.461 1.00 0.00 O ATOM 1071 CB VAL A 73 3.459 -9.159 2.612 1.00 0.00 C ATOM 1072 CG1 VAL A 73 2.527 -9.281 3.809 1.00 0.00 C ATOM 1073 CG2 VAL A 73 4.752 -9.920 2.865 1.00 0.00 C ATOM 0 H VAL A 73 4.504 -9.063 0.324 1.00 0.00 H new ATOM 0 HA VAL A 73 2.541 -10.734 1.482 1.00 0.00 H new ATOM 0 HB VAL A 73 3.699 -8.105 2.470 1.00 0.00 H new ATOM 0 HG11 VAL A 73 3.031 -8.910 4.702 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.626 -8.694 3.630 1.00 0.00 H new ATOM 0 HG13 VAL A 73 2.256 -10.327 3.954 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.226 -9.542 3.771 1.00 0.00 H new ATOM 0 HG22 VAL A 73 4.532 -10.981 2.986 1.00 0.00 H new ATOM 0 HG23 VAL A 73 5.426 -9.784 2.019 1.00 0.00 H new ATOM 1083 N LEU A 74 1.605 -7.758 0.426 1.00 0.00 N ATOM 1084 CA LEU A 74 0.455 -6.921 0.105 1.00 0.00 C ATOM 1085 C LEU A 74 -0.529 -7.687 -0.778 1.00 0.00 C ATOM 1086 O LEU A 74 -1.739 -7.621 -0.575 1.00 0.00 O ATOM 1087 CB LEU A 74 0.908 -5.642 -0.605 1.00 0.00 C ATOM 1088 CG LEU A 74 -0.208 -4.656 -0.956 1.00 0.00 C ATOM 1089 CD1 LEU A 74 -0.766 -4.000 0.297 1.00 0.00 C ATOM 1090 CD2 LEU A 74 0.302 -3.604 -1.925 1.00 0.00 C ATOM 0 H LEU A 74 2.498 -7.386 0.102 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.044 -6.649 1.035 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.634 -5.132 0.029 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.426 -5.920 -1.523 1.00 0.00 H new ATOM 0 HG LEU A 74 -1.015 -5.210 -1.436 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -1.558 -3.303 0.021 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -1.170 -4.766 0.959 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.030 -3.460 0.810 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -0.503 -2.910 -2.165 1.00 0.00 H new ATOM 0 HD22 LEU A 74 1.127 -3.058 -1.468 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.648 -4.088 -2.838 1.00 0.00 H new ATOM 1102 N ARG A 75 0.011 -8.423 -1.746 1.00 0.00 N ATOM 1103 CA ARG A 75 -0.799 -9.224 -2.662 1.00 0.00 C ATOM 1104 C ARG A 75 -1.658 -10.224 -1.901 1.00 0.00 C ATOM 1105 O ARG A 75 -2.824 -10.430 -2.232 1.00 0.00 O ATOM 1106 CB ARG A 75 0.093 -9.964 -3.661 1.00 0.00 C ATOM 1107 CG ARG A 75 0.696 -9.058 -4.719 1.00 0.00 C ATOM 1108 CD ARG A 75 1.669 -9.803 -5.622 1.00 0.00 C ATOM 1109 NE ARG A 75 0.983 -10.688 -6.567 1.00 0.00 N ATOM 1110 CZ ARG A 75 1.281 -10.775 -7.867 1.00 0.00 C ATOM 1111 NH1 ARG A 75 2.224 -10.002 -8.398 1.00 0.00 N ATOM 1112 NH2 ARG A 75 0.633 -11.638 -8.639 1.00 0.00 N ATOM 0 H ARG A 75 1.015 -8.482 -1.918 1.00 0.00 H new ATOM 0 HA ARG A 75 -1.456 -8.544 -3.205 1.00 0.00 H new ATOM 0 HB2 ARG A 75 0.897 -10.462 -3.119 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -0.491 -10.743 -4.151 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -0.102 -8.626 -5.324 1.00 0.00 H new ATOM 0 HG3 ARG A 75 1.213 -8.229 -4.235 1.00 0.00 H new ATOM 0 HD2 ARG A 75 2.273 -9.083 -6.174 1.00 0.00 H new ATOM 0 HD3 ARG A 75 2.354 -10.390 -5.009 1.00 0.00 H new ATOM 0 HE ARG A 75 0.230 -11.275 -6.210 1.00 0.00 H new ATOM 0 HH11 ARG A 75 2.727 -9.336 -7.812 1.00 0.00 H new ATOM 0 HH12 ARG A 75 2.444 -10.076 -9.391 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -0.092 -12.234 -8.240 1.00 0.00 H new ATOM 0 HH22 ARG A 75 0.860 -11.705 -9.631 1.00 0.00 H new ATOM 1126 N GLU A 76 -1.081 -10.828 -0.872 1.00 0.00 N ATOM 1127 CA GLU A 76 -1.788 -11.804 -0.056 1.00 0.00 C ATOM 1128 C GLU A 76 -2.944 -11.155 0.699 1.00 0.00 C ATOM 1129 O GLU A 76 -4.057 -11.680 0.719 1.00 0.00 O ATOM 1130 CB GLU A 76 -0.819 -12.453 0.929 1.00 0.00 C ATOM 1131 CG GLU A 76 0.236 -13.316 0.258 1.00 0.00 C ATOM 1132 CD GLU A 76 -0.359 -14.490 -0.492 1.00 0.00 C ATOM 1133 OE1 GLU A 76 -1.115 -15.274 0.120 1.00 0.00 O ATOM 1134 OE2 GLU A 76 -0.071 -14.645 -1.695 1.00 0.00 O ATOM 0 H GLU A 76 -0.118 -10.657 -0.581 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.201 -12.567 -0.715 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -0.325 -11.673 1.508 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -1.383 -13.064 1.633 1.00 0.00 H new ATOM 0 HG2 GLU A 76 0.814 -12.704 -0.434 1.00 0.00 H new ATOM 0 HG3 GLU A 76 0.930 -13.686 1.012 1.00 0.00 H new ATOM 1141 N ILE A 77 -2.676 -10.005 1.303 1.00 0.00 N ATOM 1142 CA ILE A 77 -3.690 -9.281 2.063 1.00 0.00 C ATOM 1143 C ILE A 77 -4.789 -8.750 1.138 1.00 0.00 C ATOM 1144 O ILE A 77 -5.977 -8.822 1.459 1.00 0.00 O ATOM 1145 CB ILE A 77 -3.062 -8.108 2.852 1.00 0.00 C ATOM 1146 CG1 ILE A 77 -1.976 -8.628 3.798 1.00 0.00 C ATOM 1147 CG2 ILE A 77 -4.129 -7.347 3.631 1.00 0.00 C ATOM 1148 CD1 ILE A 77 -1.099 -7.538 4.377 1.00 0.00 C ATOM 0 H ILE A 77 -1.763 -9.551 1.282 1.00 0.00 H new ATOM 0 HA ILE A 77 -4.131 -9.982 2.771 1.00 0.00 H new ATOM 0 HB ILE A 77 -2.606 -7.420 2.141 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -2.449 -9.173 4.615 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -1.349 -9.339 3.261 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -3.664 -6.527 4.178 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -4.870 -6.948 2.938 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -4.617 -8.022 4.334 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -0.354 -7.983 5.037 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -0.597 -7.007 3.568 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -1.714 -6.839 4.943 1.00 0.00 H new ATOM 1160 N VAL A 78 -4.378 -8.249 -0.020 1.00 0.00 N ATOM 1161 CA VAL A 78 -5.297 -7.700 -1.011 1.00 0.00 C ATOM 1162 C VAL A 78 -6.190 -8.797 -1.612 1.00 0.00 C ATOM 1163 O VAL A 78 -7.353 -8.557 -1.943 1.00 0.00 O ATOM 1164 CB VAL A 78 -4.509 -6.968 -2.129 1.00 0.00 C ATOM 1165 CG1 VAL A 78 -5.362 -6.723 -3.365 1.00 0.00 C ATOM 1166 CG2 VAL A 78 -3.949 -5.653 -1.607 1.00 0.00 C ATOM 0 H VAL A 78 -3.398 -8.211 -0.300 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.944 -6.981 -0.508 1.00 0.00 H new ATOM 0 HB VAL A 78 -3.686 -7.618 -2.424 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.768 -6.208 -4.121 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -5.708 -7.677 -3.763 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -6.221 -6.108 -3.098 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -3.399 -5.151 -2.402 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.768 -5.016 -1.274 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -3.279 -5.850 -0.770 1.00 0.00 H new ATOM 1176 N SER A 79 -5.655 -10.009 -1.716 1.00 0.00 N ATOM 1177 CA SER A 79 -6.407 -11.132 -2.274 1.00 0.00 C ATOM 1178 C SER A 79 -7.249 -11.830 -1.204 1.00 0.00 C ATOM 1179 O SER A 79 -7.947 -12.804 -1.491 1.00 0.00 O ATOM 1180 CB SER A 79 -5.453 -12.137 -2.926 1.00 0.00 C ATOM 1181 OG SER A 79 -4.632 -11.513 -3.898 1.00 0.00 O ATOM 0 H SER A 79 -4.706 -10.241 -1.423 1.00 0.00 H new ATOM 0 HA SER A 79 -7.084 -10.735 -3.030 1.00 0.00 H new ATOM 0 HB2 SER A 79 -4.828 -12.597 -2.161 1.00 0.00 H new ATOM 0 HB3 SER A 79 -6.028 -12.937 -3.392 1.00 0.00 H new ATOM 0 HG SER A 79 -3.826 -11.159 -3.467 1.00 0.00 H new ATOM 1187 N GLN A 80 -7.193 -11.332 0.025 1.00 0.00 N ATOM 1188 CA GLN A 80 -7.947 -11.930 1.117 1.00 0.00 C ATOM 1189 C GLN A 80 -9.122 -11.046 1.517 1.00 0.00 C ATOM 1190 O GLN A 80 -9.321 -9.963 0.957 1.00 0.00 O ATOM 1191 CB GLN A 80 -7.035 -12.168 2.320 1.00 0.00 C ATOM 1192 CG GLN A 80 -7.018 -13.614 2.795 1.00 0.00 C ATOM 1193 CD GLN A 80 -6.472 -14.573 1.750 1.00 0.00 C ATOM 1194 OE1 GLN A 80 -6.930 -15.710 1.643 1.00 0.00 O ATOM 1195 NE2 GLN A 80 -5.488 -14.130 0.978 1.00 0.00 N ATOM 0 H GLN A 80 -6.636 -10.519 0.289 1.00 0.00 H new ATOM 0 HA GLN A 80 -8.341 -12.887 0.774 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -6.020 -11.868 2.061 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -7.357 -11.528 3.142 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -6.414 -13.687 3.699 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -8.031 -13.915 3.063 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -5.135 -13.181 1.097 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -5.085 -14.739 0.266 1.00 0.00 H new ATOM 1204 N THR A 81 -9.902 -11.515 2.479 1.00 0.00 N ATOM 1205 CA THR A 81 -11.053 -10.774 2.963 1.00 0.00 C ATOM 1206 C THR A 81 -10.783 -10.219 4.357 1.00 0.00 C ATOM 1207 O THR A 81 -10.247 -10.920 5.217 1.00 0.00 O ATOM 1208 CB THR A 81 -12.305 -11.668 3.007 1.00 0.00 C ATOM 1209 OG1 THR A 81 -11.936 -12.999 3.398 1.00 0.00 O ATOM 1210 CG2 THR A 81 -12.992 -11.710 1.652 1.00 0.00 C ATOM 0 H THR A 81 -9.756 -12.412 2.942 1.00 0.00 H new ATOM 0 HA THR A 81 -11.230 -9.950 2.272 1.00 0.00 H new ATOM 0 HB THR A 81 -13.000 -11.248 3.734 1.00 0.00 H new ATOM 0 HG1 THR A 81 -12.735 -13.565 3.427 1.00 0.00 H new ATOM 0 HG21 THR A 81 -13.873 -12.348 1.711 1.00 0.00 H new ATOM 0 HG22 THR A 81 -13.292 -10.702 1.365 1.00 0.00 H new ATOM 0 HG23 THR A 81 -12.304 -12.109 0.907 1.00 0.00 H new ATOM 1218 N GLY A 82 -11.143 -8.969 4.574 1.00 0.00 N ATOM 1219 CA GLY A 82 -10.933 -8.348 5.863 1.00 0.00 C ATOM 1220 C GLY A 82 -10.707 -6.856 5.737 1.00 0.00 C ATOM 1221 O GLY A 82 -10.755 -6.316 4.631 1.00 0.00 O ATOM 0 H GLY A 82 -11.580 -8.367 3.876 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -11.798 -8.532 6.501 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -10.073 -8.806 6.352 1.00 0.00 H new ATOM 1225 N PRO A 83 -10.476 -6.159 6.858 1.00 0.00 N ATOM 1226 CA PRO A 83 -10.229 -4.721 6.858 1.00 0.00 C ATOM 1227 C PRO A 83 -8.777 -4.401 6.512 1.00 0.00 C ATOM 1228 O PRO A 83 -7.849 -4.944 7.118 1.00 0.00 O ATOM 1229 CB PRO A 83 -10.546 -4.320 8.298 1.00 0.00 C ATOM 1230 CG PRO A 83 -10.207 -5.525 9.109 1.00 0.00 C ATOM 1231 CD PRO A 83 -10.444 -6.724 8.220 1.00 0.00 C ATOM 0 HA PRO A 83 -10.824 -4.189 6.116 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -9.958 -3.456 8.607 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -11.595 -4.048 8.412 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -9.170 -5.489 9.442 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -10.828 -5.577 10.004 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -9.650 -7.463 8.327 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -11.380 -7.224 8.466 1.00 0.00 H new ATOM 1239 N ILE A 84 -8.578 -3.527 5.540 1.00 0.00 N ATOM 1240 CA ILE A 84 -7.233 -3.158 5.130 1.00 0.00 C ATOM 1241 C ILE A 84 -6.823 -1.834 5.760 1.00 0.00 C ATOM 1242 O ILE A 84 -7.477 -0.809 5.565 1.00 0.00 O ATOM 1243 CB ILE A 84 -7.109 -3.082 3.590 1.00 0.00 C ATOM 1244 CG1 ILE A 84 -7.340 -4.472 2.985 1.00 0.00 C ATOM 1245 CG2 ILE A 84 -5.746 -2.535 3.180 1.00 0.00 C ATOM 1246 CD1 ILE A 84 -7.072 -4.550 1.498 1.00 0.00 C ATOM 0 H ILE A 84 -9.324 -3.062 5.023 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.558 -3.938 5.482 1.00 0.00 H new ATOM 0 HB ILE A 84 -7.868 -2.399 3.210 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -6.700 -5.190 3.497 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -8.371 -4.772 3.174 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -5.684 -2.491 2.093 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -5.617 -1.534 3.591 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -4.962 -3.188 3.562 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -7.258 -5.565 1.147 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -7.731 -3.858 0.973 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -6.034 -4.283 1.301 1.00 0.00 H new ATOM 1258 N SER A 85 -5.747 -1.874 6.529 1.00 0.00 N ATOM 1259 CA SER A 85 -5.228 -0.697 7.198 1.00 0.00 C ATOM 1260 C SER A 85 -3.887 -0.307 6.588 1.00 0.00 C ATOM 1261 O SER A 85 -2.922 -1.075 6.645 1.00 0.00 O ATOM 1262 CB SER A 85 -5.076 -0.971 8.695 1.00 0.00 C ATOM 1263 OG SER A 85 -6.164 -1.741 9.187 1.00 0.00 O ATOM 0 H SER A 85 -5.211 -2.724 6.706 1.00 0.00 H new ATOM 0 HA SER A 85 -5.927 0.129 7.066 1.00 0.00 H new ATOM 0 HB2 SER A 85 -4.140 -1.499 8.878 1.00 0.00 H new ATOM 0 HB3 SER A 85 -5.020 -0.027 9.237 1.00 0.00 H new ATOM 0 HG SER A 85 -6.042 -1.904 10.146 1.00 0.00 H new ATOM 1269 N LEU A 86 -3.829 0.877 5.998 1.00 0.00 N ATOM 1270 CA LEU A 86 -2.612 1.348 5.358 1.00 0.00 C ATOM 1271 C LEU A 86 -1.944 2.461 6.154 1.00 0.00 C ATOM 1272 O LEU A 86 -2.584 3.448 6.525 1.00 0.00 O ATOM 1273 CB LEU A 86 -2.902 1.862 3.947 1.00 0.00 C ATOM 1274 CG LEU A 86 -3.510 0.846 2.981 1.00 0.00 C ATOM 1275 CD1 LEU A 86 -3.732 1.483 1.621 1.00 0.00 C ATOM 1276 CD2 LEU A 86 -2.612 -0.371 2.845 1.00 0.00 C ATOM 0 H LEU A 86 -4.612 1.529 5.949 1.00 0.00 H new ATOM 0 HA LEU A 86 -1.936 0.494 5.311 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -3.579 2.713 4.023 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -1.971 2.232 3.517 1.00 0.00 H new ATOM 0 HG LEU A 86 -4.470 0.524 3.383 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -4.166 0.749 0.942 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -4.411 2.329 1.722 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -2.779 1.829 1.221 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -3.064 -1.081 2.153 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -1.638 -0.064 2.465 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -2.489 -0.843 3.820 1.00 0.00 H new ATOM 1288 N THR A 87 -0.658 2.287 6.406 1.00 0.00 N ATOM 1289 CA THR A 87 0.131 3.281 7.110 1.00 0.00 C ATOM 1290 C THR A 87 1.078 3.932 6.115 1.00 0.00 C ATOM 1291 O THR A 87 2.153 3.397 5.825 1.00 0.00 O ATOM 1292 CB THR A 87 0.938 2.652 8.259 1.00 0.00 C ATOM 1293 OG1 THR A 87 0.230 1.522 8.781 1.00 0.00 O ATOM 1294 CG2 THR A 87 1.182 3.660 9.371 1.00 0.00 C ATOM 0 H THR A 87 -0.134 1.457 6.130 1.00 0.00 H new ATOM 0 HA THR A 87 -0.540 4.021 7.547 1.00 0.00 H new ATOM 0 HB THR A 87 1.904 2.334 7.866 1.00 0.00 H new ATOM 0 HG1 THR A 87 0.400 0.740 8.216 1.00 0.00 H new ATOM 0 HG21 THR A 87 1.754 3.189 10.170 1.00 0.00 H new ATOM 0 HG22 THR A 87 1.740 4.509 8.977 1.00 0.00 H new ATOM 0 HG23 THR A 87 0.226 4.006 9.765 1.00 0.00 H new ATOM 1302 N VAL A 88 0.665 5.065 5.572 1.00 0.00 N ATOM 1303 CA VAL A 88 1.462 5.759 4.576 1.00 0.00 C ATOM 1304 C VAL A 88 2.255 6.912 5.173 1.00 0.00 C ATOM 1305 O VAL A 88 1.835 7.550 6.138 1.00 0.00 O ATOM 1306 CB VAL A 88 0.597 6.287 3.410 1.00 0.00 C ATOM 1307 CG1 VAL A 88 0.088 5.134 2.561 1.00 0.00 C ATOM 1308 CG2 VAL A 88 -0.561 7.128 3.927 1.00 0.00 C ATOM 0 H VAL A 88 -0.216 5.523 5.804 1.00 0.00 H new ATOM 0 HA VAL A 88 2.162 5.018 4.190 1.00 0.00 H new ATOM 0 HB VAL A 88 1.222 6.926 2.785 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -0.519 5.524 1.744 1.00 0.00 H new ATOM 0 HG12 VAL A 88 0.934 4.582 2.152 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -0.516 4.468 3.177 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -1.154 7.487 3.086 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -1.188 6.521 4.580 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -0.172 7.979 4.486 1.00 0.00 H new ATOM 1318 N ALA A 89 3.413 7.160 4.586 1.00 0.00 N ATOM 1319 CA ALA A 89 4.292 8.229 5.016 1.00 0.00 C ATOM 1320 C ALA A 89 4.313 9.336 3.974 1.00 0.00 C ATOM 1321 O ALA A 89 4.800 9.139 2.858 1.00 0.00 O ATOM 1322 CB ALA A 89 5.693 7.695 5.252 1.00 0.00 C ATOM 0 H ALA A 89 3.769 6.623 3.795 1.00 0.00 H new ATOM 0 HA ALA A 89 3.917 8.639 5.954 1.00 0.00 H new ATOM 0 HB1 ALA A 89 6.343 8.508 5.575 1.00 0.00 H new ATOM 0 HB2 ALA A 89 5.664 6.926 6.024 1.00 0.00 H new ATOM 0 HB3 ALA A 89 6.080 7.267 4.327 1.00 0.00 H new ATOM 1328 N LYS A 90 3.770 10.484 4.334 1.00 0.00 N ATOM 1329 CA LYS A 90 3.723 11.622 3.433 1.00 0.00 C ATOM 1330 C LYS A 90 4.811 12.618 3.803 1.00 0.00 C ATOM 1331 O LYS A 90 4.661 13.307 4.833 1.00 0.00 O ATOM 1332 CB LYS A 90 2.349 12.293 3.501 1.00 0.00 C ATOM 1333 CG LYS A 90 1.189 11.311 3.436 1.00 0.00 C ATOM 1334 CD LYS A 90 -0.146 12.007 3.636 1.00 0.00 C ATOM 1335 CE LYS A 90 -0.479 12.938 2.483 1.00 0.00 C ATOM 1336 NZ LYS A 90 -0.709 12.196 1.220 1.00 0.00 N ATOM 1337 OXT LYS A 90 5.823 12.692 3.081 1.00 0.00 O ATOM 0 H LYS A 90 3.353 10.654 5.249 1.00 0.00 H new ATOM 0 HA LYS A 90 3.891 11.274 2.414 1.00 0.00 H new ATOM 0 HB2 LYS A 90 2.279 12.865 4.426 1.00 0.00 H new ATOM 0 HB3 LYS A 90 2.260 13.003 2.679 1.00 0.00 H new ATOM 0 HG2 LYS A 90 1.195 10.804 2.471 1.00 0.00 H new ATOM 0 HG3 LYS A 90 1.318 10.544 4.200 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -0.933 11.260 3.738 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -0.123 12.575 4.566 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -1.368 13.518 2.730 1.00 0.00 H new ATOM 0 HE3 LYS A 90 0.336 13.648 2.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -1.128 12.834 0.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 0.197 11.830 0.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -1.357 11.402 1.397 1.00 0.00 H new TER 1351 LYS A 90 HETATM 1352 C20 SUZ A 91 3.126 -4.363 -8.515 1.00 20.00 C HETATM 1353 C19 SUZ A 91 2.158 -3.378 -8.677 1.00 20.00 C HETATM 1354 C5 SUZ A 91 1.132 -3.532 -9.665 1.00 20.00 C HETATM 1355 C6 SUZ A 91 -0.168 -2.765 -9.500 1.00 20.00 C HETATM 1356 C7 SUZ A 91 -1.082 -2.994 -8.373 1.00 20.00 C HETATM 1357 C18 SUZ A 91 -0.816 -4.033 -7.248 1.00 20.00 C HETATM 1358 C17 SUZ A 91 0.148 -5.037 -6.994 1.00 20.00 C HETATM 1359 C16 SUZ A 91 0.050 -5.772 -5.862 1.00 20.00 C HETATM 1360 C15 SUZ A 91 -0.983 -5.555 -4.945 1.00 20.00 C HETATM 1361 F SUZ A 91 -1.048 -6.302 -3.832 1.00 20.00 F HETATM 1362 C14 SUZ A 91 -1.940 -4.577 -5.173 1.00 20.00 C HETATM 1363 C13 SUZ A 91 -1.849 -3.832 -6.317 1.00 20.00 C HETATM 1364 C10 SUZ A 91 -2.726 -2.702 -6.846 1.00 20.00 C HETATM 1365 C11 SUZ A 91 -3.889 -2.174 -5.958 1.00 20.00 C HETATM 1366 C12 SUZ A 91 -5.244 -2.349 -6.624 1.00 20.00 C HETATM 1367 O3 SUZ A 91 -5.465 -1.734 -7.770 1.00 20.00 O HETATM 1368 O2 SUZ A 91 -6.139 -3.035 -6.111 1.00 20.00 O HETATM 1369 C8 SUZ A 91 -2.310 -2.209 -8.037 1.00 20.00 C HETATM 1370 C9 SUZ A 91 -2.947 -1.123 -8.818 1.00 20.00 C HETATM 1371 C4 SUZ A 91 1.116 -4.673 -10.451 1.00 20.00 C HETATM 1372 C3 SUZ A 91 2.106 -5.682 -10.284 1.00 20.00 C HETATM 1373 C2 SUZ A 91 3.095 -5.532 -9.324 1.00 20.00 C HETATM 1374 S SUZ A 91 4.322 -6.741 -9.085 1.00 20.00 S HETATM 1375 O1 SUZ A 91 3.967 -7.697 -8.069 1.00 20.00 O HETATM 1376 C1 SUZ A 91 5.670 -5.778 -8.477 1.00 20.00 C HETATM 0 H11A SUZ A 91 -3.884 -2.701 -5.004 1.00 20.00 H new HETATM 0 H9B SUZ A 91 -2.240 -0.303 -8.944 1.00 20.00 H new HETATM 0 H9A SUZ A 91 -3.241 -1.503 -9.797 1.00 20.00 H new HETATM 0 H9 SUZ A 91 -3.829 -0.764 -8.289 1.00 20.00 H new HETATM 0 H6 SUZ A 91 -0.433 -2.016 -10.246 1.00 20.00 H new HETATM 0 H4 SUZ A 91 0.338 -4.799 -11.204 1.00 20.00 H new HETATM 0 H3 SUZ A 91 2.087 -6.573 -10.911 1.00 20.00 H new HETATM 0 H20 SUZ A 91 3.909 -4.239 -7.767 1.00 20.00 H new HETATM 0 H1B SUZ A 91 6.589 -6.362 -8.534 1.00 20.00 H new HETATM 0 H1A SUZ A 91 5.775 -4.877 -9.081 1.00 20.00 H new HETATM 0 H19 SUZ A 91 2.180 -2.486 -8.051 1.00 20.00 H new HETATM 0 H17 SUZ A 91 0.959 -5.216 -7.700 1.00 20.00 H new HETATM 0 H16 SUZ A 91 0.790 -6.547 -5.661 1.00 20.00 H new HETATM 0 H14 SUZ A 91 -2.745 -4.406 -4.458 1.00 20.00 H new HETATM 0 H11 SUZ A 91 -3.727 -1.118 -5.740 1.00 20.00 H new HETATM 0 H1 SUZ A 91 5.480 -5.500 -7.440 1.00 20.00 H new