USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=20 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 58 ASN : amide:sc= 1.64 K(o=2.2,f=-4.6!) USER MOD Set 1.2: A 85 SER OG : rot 78:sc= 0.512 USER MOD Set 2.1: A 18 SER OG : rot -124:sc= 0.388 USER MOD Set 2.2: A 35 SER OG : rot 180:sc= 0.277 USER MOD Set 2.3: A 37 MET CE :methyl 180:sc=-0.00105 (180deg=-0.00105) USER MOD Single : A 1 ASN : amide:sc= -0.413 K(o=-0.41,f=-0.93) USER MOD Single : A 1 ASN N :NH3+ 165:sc= 1.23 (180deg=1.12) USER MOD Single : A 4 THR OG1 : rot -140:sc= -0.732 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= 1.12 K(o=1.1,f=-6.4!) USER MOD Single : A 9 MET CE :methyl -171:sc= 0 (180deg=-0.102) USER MOD Single : A 12 HIS : no HE2:sc= -0.276 K(o=-0.28,f=-2!) USER MOD Single : A 13 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 22 GLN :FLIP amide:sc= 0 F(o=-0.92,f=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -0.545 K(o=-0.54,f=-2!) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 173:sc= -0.0131 (180deg=-0.112) USER MOD Single : A 53 MET CE :methyl 147:sc= 0 (180deg=-1.39!) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 ASN : amide:sc= 0.351 K(o=0.35,f=-15!) USER MOD Single : A 64 ASN : amide:sc=-0.00874 K(o=-0.0087,f=-0.86) USER MOD Single : A 65 MET CE :methyl 149:sc= -0.571 (180deg=-2.5) USER MOD Single : A 66 SER OG : rot 125:sc= 1.48 USER MOD Single : A 67 ASN : amide:sc= 1.14 K(o=1.1,f=-5.3!) USER MOD Single : A 79 SER OG : rot 94:sc= 1.21 USER MOD Single : A 80 GLN : amide:sc= -0.397 X(o=-0.4,f=-0.21) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0.0522 USER MOD Single : A 87 THR OG1 : rot 82:sc= 1.18 USER MOD Single : A 90 LYS NZ :NH3+ 161:sc= 1.37 (180deg=0.644!) USER MOD Single : A 91 SUZ C1 :methyl -168:sc= -1.03 (180deg=-1.24) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 4.803 13.074 7.635 1.00 0.00 N ATOM 2 CA ASN A 1 3.456 12.828 8.201 1.00 0.00 C ATOM 3 C ASN A 1 2.994 11.409 7.894 1.00 0.00 C ATOM 4 O ASN A 1 2.734 11.064 6.743 1.00 0.00 O ATOM 5 CB ASN A 1 2.450 13.836 7.639 1.00 0.00 C ATOM 6 CG ASN A 1 1.076 13.705 8.273 1.00 0.00 C ATOM 7 OD1 ASN A 1 0.936 13.204 9.389 1.00 0.00 O ATOM 8 ND2 ASN A 1 0.051 14.170 7.573 1.00 0.00 N ATOM 0 H1 ASN A 1 4.995 14.096 7.627 1.00 0.00 H new ATOM 0 H2 ASN A 1 5.517 12.592 8.217 1.00 0.00 H new ATOM 0 H3 ASN A 1 4.843 12.707 6.663 1.00 0.00 H new ATOM 0 HA ASN A 1 3.514 12.950 9.283 1.00 0.00 H new ATOM 0 HB2 ASN A 1 2.825 14.847 7.800 1.00 0.00 H new ATOM 0 HB3 ASN A 1 2.364 13.696 6.562 1.00 0.00 H new ATOM 0 HD21 ASN A 1 -0.893 14.119 7.956 1.00 0.00 H new ATOM 0 HD22 ASN A 1 0.206 14.578 6.651 1.00 0.00 H new ATOM 17 N ILE A 2 2.898 10.586 8.927 1.00 0.00 N ATOM 18 CA ILE A 2 2.460 9.207 8.766 1.00 0.00 C ATOM 19 C ILE A 2 0.973 9.087 9.077 1.00 0.00 C ATOM 20 O ILE A 2 0.551 9.322 10.210 1.00 0.00 O ATOM 21 CB ILE A 2 3.257 8.252 9.680 1.00 0.00 C ATOM 22 CG1 ILE A 2 4.759 8.376 9.401 1.00 0.00 C ATOM 23 CG2 ILE A 2 2.797 6.815 9.476 1.00 0.00 C ATOM 24 CD1 ILE A 2 5.619 7.508 10.296 1.00 0.00 C ATOM 0 H ILE A 2 3.118 10.849 9.888 1.00 0.00 H new ATOM 0 HA ILE A 2 2.641 8.922 7.730 1.00 0.00 H new ATOM 0 HB ILE A 2 3.073 8.531 10.717 1.00 0.00 H new ATOM 0 HG12 ILE A 2 4.949 8.111 8.361 1.00 0.00 H new ATOM 0 HG13 ILE A 2 5.058 9.417 9.524 1.00 0.00 H new ATOM 0 HG21 ILE A 2 3.369 6.154 10.128 1.00 0.00 H new ATOM 0 HG22 ILE A 2 1.737 6.735 9.717 1.00 0.00 H new ATOM 0 HG23 ILE A 2 2.956 6.526 8.437 1.00 0.00 H new ATOM 0 HD11 ILE A 2 6.669 7.649 10.040 1.00 0.00 H new ATOM 0 HD12 ILE A 2 5.459 7.788 11.337 1.00 0.00 H new ATOM 0 HD13 ILE A 2 5.349 6.461 10.156 1.00 0.00 H new ATOM 36 N ILE A 3 0.186 8.736 8.068 1.00 0.00 N ATOM 37 CA ILE A 3 -1.256 8.600 8.232 1.00 0.00 C ATOM 38 C ILE A 3 -1.686 7.150 8.032 1.00 0.00 C ATOM 39 O ILE A 3 -1.202 6.465 7.129 1.00 0.00 O ATOM 40 CB ILE A 3 -2.025 9.504 7.239 1.00 0.00 C ATOM 41 CG1 ILE A 3 -1.547 10.954 7.352 1.00 0.00 C ATOM 42 CG2 ILE A 3 -3.525 9.416 7.492 1.00 0.00 C ATOM 43 CD1 ILE A 3 -2.313 11.922 6.471 1.00 0.00 C ATOM 0 H ILE A 3 0.523 8.540 7.125 1.00 0.00 H new ATOM 0 HA ILE A 3 -1.497 8.913 9.248 1.00 0.00 H new ATOM 0 HB ILE A 3 -1.824 9.154 6.227 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -1.634 11.275 8.390 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -0.490 10.999 7.092 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -4.051 10.058 6.785 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -3.856 8.386 7.363 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -3.742 9.742 8.509 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -1.917 12.928 6.606 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -2.206 11.627 5.427 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -3.368 11.907 6.746 1.00 0.00 H new ATOM 55 N THR A 4 -2.586 6.685 8.885 1.00 0.00 N ATOM 56 CA THR A 4 -3.087 5.323 8.801 1.00 0.00 C ATOM 57 C THR A 4 -4.569 5.319 8.443 1.00 0.00 C ATOM 58 O THR A 4 -5.410 5.763 9.229 1.00 0.00 O ATOM 59 CB THR A 4 -2.881 4.579 10.131 1.00 0.00 C ATOM 60 OG1 THR A 4 -1.595 4.914 10.663 1.00 0.00 O ATOM 61 CG2 THR A 4 -2.984 3.073 9.934 1.00 0.00 C ATOM 0 H THR A 4 -2.985 7.234 9.646 1.00 0.00 H new ATOM 0 HA THR A 4 -2.526 4.811 8.019 1.00 0.00 H new ATOM 0 HB THR A 4 -3.662 4.883 10.828 1.00 0.00 H new ATOM 0 HG1 THR A 4 -1.182 4.114 11.050 1.00 0.00 H new ATOM 0 HG21 THR A 4 -2.835 2.570 10.889 1.00 0.00 H new ATOM 0 HG22 THR A 4 -3.971 2.824 9.543 1.00 0.00 H new ATOM 0 HG23 THR A 4 -2.221 2.745 9.228 1.00 0.00 H new ATOM 69 N VAL A 5 -4.885 4.827 7.254 1.00 0.00 N ATOM 70 CA VAL A 5 -6.265 4.779 6.796 1.00 0.00 C ATOM 71 C VAL A 5 -6.748 3.333 6.672 1.00 0.00 C ATOM 72 O VAL A 5 -5.981 2.445 6.305 1.00 0.00 O ATOM 73 CB VAL A 5 -6.433 5.504 5.433 1.00 0.00 C ATOM 74 CG1 VAL A 5 -5.746 6.861 5.456 1.00 0.00 C ATOM 75 CG2 VAL A 5 -5.888 4.659 4.288 1.00 0.00 C ATOM 0 H VAL A 5 -4.205 4.456 6.590 1.00 0.00 H new ATOM 0 HA VAL A 5 -6.872 5.294 7.541 1.00 0.00 H new ATOM 0 HB VAL A 5 -7.500 5.654 5.269 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -5.876 7.351 4.491 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -6.186 7.478 6.239 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -4.683 6.727 5.654 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -6.020 5.193 3.347 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -4.828 4.467 4.451 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -6.426 3.712 4.246 1.00 0.00 H new ATOM 85 N THR A 6 -8.006 3.092 7.008 1.00 0.00 N ATOM 86 CA THR A 6 -8.566 1.758 6.893 1.00 0.00 C ATOM 87 C THR A 6 -9.537 1.722 5.712 1.00 0.00 C ATOM 88 O THR A 6 -10.470 2.526 5.625 1.00 0.00 O ATOM 89 CB THR A 6 -9.252 1.285 8.203 1.00 0.00 C ATOM 90 OG1 THR A 6 -9.777 -0.041 8.045 1.00 0.00 O ATOM 91 CG2 THR A 6 -10.365 2.232 8.621 1.00 0.00 C ATOM 0 H THR A 6 -8.653 3.798 7.360 1.00 0.00 H new ATOM 0 HA THR A 6 -7.749 1.059 6.715 1.00 0.00 H new ATOM 0 HB THR A 6 -8.494 1.281 8.987 1.00 0.00 H new ATOM 0 HG1 THR A 6 -10.205 -0.325 8.880 1.00 0.00 H new ATOM 0 HG21 THR A 6 -10.824 1.871 9.542 1.00 0.00 H new ATOM 0 HG22 THR A 6 -9.953 3.227 8.787 1.00 0.00 H new ATOM 0 HG23 THR A 6 -11.118 2.278 7.834 1.00 0.00 H new ATOM 99 N LEU A 7 -9.287 0.815 4.783 1.00 0.00 N ATOM 100 CA LEU A 7 -10.108 0.695 3.591 1.00 0.00 C ATOM 101 C LEU A 7 -11.212 -0.328 3.780 1.00 0.00 C ATOM 102 O LEU A 7 -11.014 -1.364 4.418 1.00 0.00 O ATOM 103 CB LEU A 7 -9.232 0.299 2.404 1.00 0.00 C ATOM 104 CG LEU A 7 -7.985 1.162 2.202 1.00 0.00 C ATOM 105 CD1 LEU A 7 -7.135 0.599 1.077 1.00 0.00 C ATOM 106 CD2 LEU A 7 -8.369 2.609 1.915 1.00 0.00 C ATOM 0 H LEU A 7 -8.517 0.148 4.832 1.00 0.00 H new ATOM 0 HA LEU A 7 -10.575 1.661 3.400 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -8.921 -0.738 2.532 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -9.835 0.341 1.497 1.00 0.00 H new ATOM 0 HG LEU A 7 -7.400 1.145 3.122 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -6.250 1.222 0.943 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -6.829 -0.417 1.326 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -7.714 0.588 0.154 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -7.467 3.204 1.775 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -8.976 2.652 1.011 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -8.940 3.007 2.754 1.00 0.00 H new ATOM 118 N ASN A 8 -12.375 -0.026 3.226 1.00 0.00 N ATOM 119 CA ASN A 8 -13.518 -0.917 3.307 1.00 0.00 C ATOM 120 C ASN A 8 -13.522 -1.830 2.095 1.00 0.00 C ATOM 121 O ASN A 8 -13.730 -1.375 0.969 1.00 0.00 O ATOM 122 CB ASN A 8 -14.822 -0.117 3.366 1.00 0.00 C ATOM 123 CG ASN A 8 -16.050 -1.009 3.350 1.00 0.00 C ATOM 124 OD1 ASN A 8 -16.537 -1.405 2.291 1.00 0.00 O ATOM 125 ND2 ASN A 8 -16.566 -1.324 4.527 1.00 0.00 N ATOM 0 H ASN A 8 -12.552 0.837 2.712 1.00 0.00 H new ATOM 0 HA ASN A 8 -13.443 -1.513 4.217 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -14.831 0.492 4.270 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -14.863 0.568 2.519 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -17.396 -1.915 4.578 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -16.134 -0.976 5.383 1.00 0.00 H new ATOM 132 N MET A 9 -13.288 -3.112 2.328 1.00 0.00 N ATOM 133 CA MET A 9 -13.243 -4.097 1.253 1.00 0.00 C ATOM 134 C MET A 9 -14.588 -4.791 1.075 1.00 0.00 C ATOM 135 O MET A 9 -14.682 -5.815 0.398 1.00 0.00 O ATOM 136 CB MET A 9 -12.151 -5.131 1.524 1.00 0.00 C ATOM 137 CG MET A 9 -10.746 -4.584 1.342 1.00 0.00 C ATOM 138 SD MET A 9 -10.480 -3.886 -0.300 1.00 0.00 S ATOM 139 CE MET A 9 -10.483 -5.369 -1.304 1.00 0.00 C ATOM 0 H MET A 9 -13.125 -3.499 3.258 1.00 0.00 H new ATOM 0 HA MET A 9 -13.013 -3.567 0.329 1.00 0.00 H new ATOM 0 HB2 MET A 9 -12.259 -5.504 2.542 1.00 0.00 H new ATOM 0 HB3 MET A 9 -12.292 -5.981 0.856 1.00 0.00 H new ATOM 0 HG2 MET A 9 -10.559 -3.817 2.093 1.00 0.00 H new ATOM 0 HG3 MET A 9 -10.024 -5.382 1.515 1.00 0.00 H new ATOM 0 HE1 MET A 9 -10.172 -5.122 -2.319 1.00 0.00 H new ATOM 0 HE2 MET A 9 -9.792 -6.097 -0.880 1.00 0.00 H new ATOM 0 HE3 MET A 9 -11.487 -5.792 -1.325 1.00 0.00 H new ATOM 149 N GLU A 10 -15.626 -4.242 1.690 1.00 0.00 N ATOM 150 CA GLU A 10 -16.962 -4.809 1.561 1.00 0.00 C ATOM 151 C GLU A 10 -17.633 -4.241 0.321 1.00 0.00 C ATOM 152 O GLU A 10 -18.193 -4.973 -0.495 1.00 0.00 O ATOM 153 CB GLU A 10 -17.814 -4.504 2.795 1.00 0.00 C ATOM 154 CG GLU A 10 -17.116 -4.789 4.113 1.00 0.00 C ATOM 155 CD GLU A 10 -16.465 -6.156 4.156 1.00 0.00 C ATOM 156 OE1 GLU A 10 -17.169 -7.166 3.950 1.00 0.00 O ATOM 157 OE2 GLU A 10 -15.240 -6.227 4.388 1.00 0.00 O ATOM 0 H GLU A 10 -15.571 -3.411 2.279 1.00 0.00 H new ATOM 0 HA GLU A 10 -16.871 -5.891 1.472 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -18.108 -3.455 2.771 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -18.730 -5.093 2.746 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -16.357 -4.026 4.288 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -17.839 -4.712 4.925 1.00 0.00 H new ATOM 164 N ARG A 11 -17.561 -2.922 0.190 1.00 0.00 N ATOM 165 CA ARG A 11 -18.144 -2.221 -0.946 1.00 0.00 C ATOM 166 C ARG A 11 -17.119 -2.069 -2.068 1.00 0.00 C ATOM 167 O ARG A 11 -17.451 -1.679 -3.187 1.00 0.00 O ATOM 168 CB ARG A 11 -18.646 -0.844 -0.498 1.00 0.00 C ATOM 169 CG ARG A 11 -19.453 -0.099 -1.551 1.00 0.00 C ATOM 170 CD ARG A 11 -19.855 1.286 -1.067 1.00 0.00 C ATOM 171 NE ARG A 11 -20.432 2.104 -2.136 1.00 0.00 N ATOM 172 CZ ARG A 11 -20.913 3.333 -1.952 1.00 0.00 C ATOM 173 NH1 ARG A 11 -20.929 3.869 -0.736 1.00 0.00 N ATOM 174 NH2 ARG A 11 -21.397 4.019 -2.980 1.00 0.00 N ATOM 0 H ARG A 11 -17.099 -2.312 0.864 1.00 0.00 H new ATOM 0 HA ARG A 11 -18.983 -2.804 -1.327 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -19.260 -0.967 0.394 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -17.789 -0.233 -0.214 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -18.866 -0.010 -2.465 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -20.346 -0.672 -1.800 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -20.577 1.189 -0.257 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -18.981 1.792 -0.657 1.00 0.00 H new ATOM 0 HE ARG A 11 -20.468 1.710 -3.076 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -20.572 3.339 0.060 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -21.298 4.810 -0.598 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -21.401 3.606 -3.912 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -21.765 4.960 -2.838 1.00 0.00 H new ATOM 188 N HIS A 12 -15.871 -2.389 -1.764 1.00 0.00 N ATOM 189 CA HIS A 12 -14.797 -2.279 -2.743 1.00 0.00 C ATOM 190 C HIS A 12 -14.209 -3.645 -3.056 1.00 0.00 C ATOM 191 O HIS A 12 -14.302 -4.570 -2.252 1.00 0.00 O ATOM 192 CB HIS A 12 -13.691 -1.359 -2.232 1.00 0.00 C ATOM 193 CG HIS A 12 -14.090 0.079 -2.149 1.00 0.00 C ATOM 194 ND1 HIS A 12 -14.167 0.765 -0.960 1.00 0.00 N ATOM 195 CD2 HIS A 12 -14.435 0.962 -3.115 1.00 0.00 C ATOM 196 CE1 HIS A 12 -14.538 2.008 -1.196 1.00 0.00 C ATOM 197 NE2 HIS A 12 -14.704 2.156 -2.496 1.00 0.00 N ATOM 0 H HIS A 12 -15.575 -2.727 -0.848 1.00 0.00 H new ATOM 0 HA HIS A 12 -15.223 -1.856 -3.653 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -13.378 -1.697 -1.244 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -12.825 -1.448 -2.888 1.00 0.00 H new ATOM 0 HD1 HIS A 12 -13.968 0.374 -0.039 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -14.488 0.763 -4.175 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -14.682 2.776 -0.450 1.00 0.00 H new ATOM 206 N HIS A 13 -13.620 -3.769 -4.236 1.00 0.00 N ATOM 207 CA HIS A 13 -13.002 -5.017 -4.658 1.00 0.00 C ATOM 208 C HIS A 13 -11.529 -4.802 -4.956 1.00 0.00 C ATOM 209 O HIS A 13 -10.772 -5.754 -5.126 1.00 0.00 O ATOM 210 CB HIS A 13 -13.712 -5.580 -5.889 1.00 0.00 C ATOM 211 CG HIS A 13 -15.064 -6.141 -5.587 1.00 0.00 C ATOM 212 ND1 HIS A 13 -15.301 -7.486 -5.426 1.00 0.00 N ATOM 213 CD2 HIS A 13 -16.255 -5.526 -5.405 1.00 0.00 C ATOM 214 CE1 HIS A 13 -16.579 -7.676 -5.159 1.00 0.00 C ATOM 215 NE2 HIS A 13 -17.180 -6.500 -5.140 1.00 0.00 N ATOM 0 H HIS A 13 -13.557 -3.016 -4.921 1.00 0.00 H new ATOM 0 HA HIS A 13 -13.095 -5.737 -3.845 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -13.812 -4.791 -6.635 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -13.093 -6.360 -6.332 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -16.442 -4.464 -5.459 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -17.053 -8.631 -4.985 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -18.171 -6.343 -4.958 1.00 0.00 H new ATOM 224 N PHE A 14 -11.129 -3.540 -5.021 1.00 0.00 N ATOM 225 CA PHE A 14 -9.746 -3.188 -5.281 1.00 0.00 C ATOM 226 C PHE A 14 -9.390 -1.894 -4.565 1.00 0.00 C ATOM 227 O PHE A 14 -10.272 -1.125 -4.180 1.00 0.00 O ATOM 228 CB PHE A 14 -9.466 -3.085 -6.788 1.00 0.00 C ATOM 229 CG PHE A 14 -10.504 -2.343 -7.592 1.00 0.00 C ATOM 230 CD1 PHE A 14 -11.717 -2.938 -7.911 1.00 0.00 C ATOM 231 CD2 PHE A 14 -10.253 -1.064 -8.054 1.00 0.00 C ATOM 232 CE1 PHE A 14 -12.660 -2.267 -8.665 1.00 0.00 C ATOM 233 CE2 PHE A 14 -11.189 -0.389 -8.813 1.00 0.00 C ATOM 234 CZ PHE A 14 -12.395 -0.991 -9.119 1.00 0.00 C ATOM 0 H PHE A 14 -11.750 -2.740 -4.896 1.00 0.00 H new ATOM 0 HA PHE A 14 -9.112 -3.984 -4.891 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -8.503 -2.593 -6.928 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -9.371 -4.093 -7.192 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -11.926 -3.939 -7.565 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -9.313 -0.587 -7.818 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -13.602 -2.740 -8.899 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -10.979 0.609 -9.167 1.00 0.00 H new ATOM 0 HZ PHE A 14 -13.128 -0.464 -9.712 1.00 0.00 H new ATOM 244 N LEU A 15 -8.099 -1.659 -4.380 1.00 0.00 N ATOM 245 CA LEU A 15 -7.637 -0.463 -3.689 1.00 0.00 C ATOM 246 C LEU A 15 -7.465 0.696 -4.661 1.00 0.00 C ATOM 247 O LEU A 15 -7.711 1.851 -4.309 1.00 0.00 O ATOM 248 CB LEU A 15 -6.312 -0.735 -2.969 1.00 0.00 C ATOM 249 CG LEU A 15 -6.223 -2.070 -2.221 1.00 0.00 C ATOM 250 CD1 LEU A 15 -4.889 -2.184 -1.504 1.00 0.00 C ATOM 251 CD2 LEU A 15 -7.374 -2.223 -1.235 1.00 0.00 C ATOM 0 H LEU A 15 -7.354 -2.279 -4.698 1.00 0.00 H new ATOM 0 HA LEU A 15 -8.393 -0.191 -2.953 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -5.507 -0.696 -3.703 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -6.134 0.071 -2.258 1.00 0.00 H new ATOM 0 HG LEU A 15 -6.298 -2.875 -2.952 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -4.839 -3.137 -0.977 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.079 -2.129 -2.231 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -4.790 -1.368 -0.788 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -7.286 -3.179 -0.718 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -7.340 -1.412 -0.507 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -8.321 -2.187 -1.773 1.00 0.00 H new ATOM 263 N GLY A 16 -7.070 0.375 -5.886 1.00 0.00 N ATOM 264 CA GLY A 16 -6.859 1.390 -6.897 1.00 0.00 C ATOM 265 C GLY A 16 -5.613 2.215 -6.639 1.00 0.00 C ATOM 266 O GLY A 16 -5.675 3.442 -6.618 1.00 0.00 O ATOM 0 H GLY A 16 -6.891 -0.579 -6.198 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -6.780 0.914 -7.874 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -7.727 2.049 -6.933 1.00 0.00 H new ATOM 270 N ILE A 17 -4.481 1.544 -6.446 1.00 0.00 N ATOM 271 CA ILE A 17 -3.205 2.229 -6.185 1.00 0.00 C ATOM 272 C ILE A 17 -2.035 1.364 -6.618 1.00 0.00 C ATOM 273 O ILE A 17 -1.722 0.369 -5.965 1.00 0.00 O ATOM 274 CB ILE A 17 -3.004 2.581 -4.694 1.00 0.00 C ATOM 275 CG1 ILE A 17 -3.646 1.525 -3.787 1.00 0.00 C ATOM 276 CG2 ILE A 17 -3.555 3.964 -4.385 1.00 0.00 C ATOM 277 CD1 ILE A 17 -3.017 1.450 -2.412 1.00 0.00 C ATOM 0 H ILE A 17 -4.415 0.526 -6.464 1.00 0.00 H new ATOM 0 HA ILE A 17 -3.244 3.154 -6.760 1.00 0.00 H new ATOM 0 HB ILE A 17 -1.933 2.589 -4.494 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -4.708 1.745 -3.681 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -3.569 0.549 -4.267 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -3.402 4.189 -3.330 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -3.038 4.706 -4.993 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -4.621 3.990 -4.610 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -3.520 0.683 -1.823 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.961 1.199 -2.508 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -3.117 2.414 -1.913 1.00 0.00 H new ATOM 289 N SER A 18 -1.390 1.730 -7.714 1.00 0.00 N ATOM 290 CA SER A 18 -0.270 0.948 -8.212 1.00 0.00 C ATOM 291 C SER A 18 0.969 1.156 -7.345 1.00 0.00 C ATOM 292 O SER A 18 1.410 2.283 -7.117 1.00 0.00 O ATOM 293 CB SER A 18 0.011 1.267 -9.688 1.00 0.00 C ATOM 294 OG SER A 18 0.537 2.578 -9.858 1.00 0.00 O ATOM 0 H SER A 18 -1.619 2.554 -8.270 1.00 0.00 H new ATOM 0 HA SER A 18 -0.538 -0.107 -8.152 1.00 0.00 H new ATOM 0 HB2 SER A 18 0.716 0.539 -10.089 1.00 0.00 H new ATOM 0 HB3 SER A 18 -0.910 1.168 -10.262 1.00 0.00 H new ATOM 0 HG SER A 18 -0.030 3.080 -10.480 1.00 0.00 H new ATOM 300 N ILE A 19 1.497 0.057 -6.832 1.00 0.00 N ATOM 301 CA ILE A 19 2.671 0.094 -5.976 1.00 0.00 C ATOM 302 C ILE A 19 3.950 0.180 -6.802 1.00 0.00 C ATOM 303 O ILE A 19 4.198 -0.660 -7.666 1.00 0.00 O ATOM 304 CB ILE A 19 2.744 -1.156 -5.074 1.00 0.00 C ATOM 305 CG1 ILE A 19 1.377 -1.479 -4.463 1.00 0.00 C ATOM 306 CG2 ILE A 19 3.778 -0.957 -3.978 1.00 0.00 C ATOM 307 CD1 ILE A 19 0.759 -0.331 -3.689 1.00 0.00 C ATOM 0 H ILE A 19 1.127 -0.879 -6.996 1.00 0.00 H new ATOM 0 HA ILE A 19 2.582 0.984 -5.352 1.00 0.00 H new ATOM 0 HB ILE A 19 3.044 -2.001 -5.694 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.695 -1.774 -5.260 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.481 -2.337 -3.799 1.00 0.00 H new ATOM 0 HG21 ILE A 19 3.818 -1.847 -3.350 1.00 0.00 H new ATOM 0 HG22 ILE A 19 4.756 -0.786 -4.427 1.00 0.00 H new ATOM 0 HG23 ILE A 19 3.502 -0.096 -3.370 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.207 -0.640 -3.289 1.00 0.00 H new ATOM 0 HD12 ILE A 19 1.419 -0.049 -2.868 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.620 0.522 -4.353 1.00 0.00 H new ATOM 319 N VAL A 20 4.747 1.201 -6.535 1.00 0.00 N ATOM 320 CA VAL A 20 6.003 1.400 -7.241 1.00 0.00 C ATOM 321 C VAL A 20 7.178 1.288 -6.273 1.00 0.00 C ATOM 322 O VAL A 20 7.306 2.089 -5.347 1.00 0.00 O ATOM 323 CB VAL A 20 6.047 2.775 -7.946 1.00 0.00 C ATOM 324 CG1 VAL A 20 7.396 3.007 -8.612 1.00 0.00 C ATOM 325 CG2 VAL A 20 4.923 2.886 -8.965 1.00 0.00 C ATOM 0 H VAL A 20 4.545 1.910 -5.830 1.00 0.00 H new ATOM 0 HA VAL A 20 6.078 0.622 -8.001 1.00 0.00 H new ATOM 0 HB VAL A 20 5.909 3.547 -7.189 1.00 0.00 H new ATOM 0 HG11 VAL A 20 7.398 3.982 -9.100 1.00 0.00 H new ATOM 0 HG12 VAL A 20 8.184 2.976 -7.859 1.00 0.00 H new ATOM 0 HG13 VAL A 20 7.574 2.229 -9.355 1.00 0.00 H new ATOM 0 HG21 VAL A 20 4.968 3.860 -9.452 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.031 2.101 -9.713 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.963 2.777 -8.461 1.00 0.00 H new ATOM 335 N GLY A 21 8.017 0.285 -6.481 1.00 0.00 N ATOM 336 CA GLY A 21 9.169 0.089 -5.625 1.00 0.00 C ATOM 337 C GLY A 21 10.361 0.893 -6.094 1.00 0.00 C ATOM 338 O GLY A 21 10.693 0.887 -7.283 1.00 0.00 O ATOM 0 H GLY A 21 7.920 -0.400 -7.231 1.00 0.00 H new ATOM 0 HA2 GLY A 21 8.916 0.376 -4.604 1.00 0.00 H new ATOM 0 HA3 GLY A 21 9.430 -0.969 -5.604 1.00 0.00 H new ATOM 342 N GLN A 22 11.003 1.592 -5.167 1.00 0.00 N ATOM 343 CA GLN A 22 12.162 2.410 -5.491 1.00 0.00 C ATOM 344 C GLN A 22 13.449 1.610 -5.326 1.00 0.00 C ATOM 345 O GLN A 22 13.789 1.189 -4.220 1.00 0.00 O ATOM 346 CB GLN A 22 12.210 3.651 -4.596 1.00 0.00 C ATOM 347 CG GLN A 22 13.322 4.620 -4.968 1.00 0.00 C ATOM 348 CD GLN A 22 13.397 5.825 -4.047 1.00 0.00 C ATOM 349 OE1 GLN A 22 13.056 5.637 -2.781 1.00 0.00 O flip ATOM 350 NE2 GLN A 22 13.776 6.917 -4.470 1.00 0.00 N flip ATOM 0 H GLN A 22 10.739 1.608 -4.182 1.00 0.00 H new ATOM 0 HA GLN A 22 12.072 2.724 -6.531 1.00 0.00 H new ATOM 0 HB2 GLN A 22 11.252 4.169 -4.653 1.00 0.00 H new ATOM 0 HB3 GLN A 22 12.342 3.338 -3.560 1.00 0.00 H new ATOM 0 HG2 GLN A 22 14.276 4.094 -4.946 1.00 0.00 H new ATOM 0 HG3 GLN A 22 13.170 4.962 -5.992 1.00 0.00 H new ATOM 0 HE21 GLN A 22 14.030 7.023 -5.452 1.00 0.00 H new ATOM 0 HE22 GLN A 22 13.836 7.716 -3.838 1.00 0.00 H new ATOM 359 N SER A 23 14.149 1.389 -6.426 1.00 0.00 N ATOM 360 CA SER A 23 15.403 0.651 -6.402 1.00 0.00 C ATOM 361 C SER A 23 16.577 1.627 -6.447 1.00 0.00 C ATOM 362 O SER A 23 16.406 2.795 -6.805 1.00 0.00 O ATOM 363 CB SER A 23 15.460 -0.313 -7.590 1.00 0.00 C ATOM 364 OG SER A 23 14.169 -0.500 -8.150 1.00 0.00 O ATOM 0 H SER A 23 13.869 1.712 -7.352 1.00 0.00 H new ATOM 0 HA SER A 23 15.466 0.072 -5.481 1.00 0.00 H new ATOM 0 HB2 SER A 23 16.137 0.078 -8.349 1.00 0.00 H new ATOM 0 HB3 SER A 23 15.863 -1.273 -7.266 1.00 0.00 H new ATOM 0 HG SER A 23 14.228 -1.118 -8.909 1.00 0.00 H new ATOM 370 N ASN A 24 17.764 1.157 -6.078 1.00 0.00 N ATOM 371 CA ASN A 24 18.956 1.999 -6.081 1.00 0.00 C ATOM 372 C ASN A 24 20.206 1.129 -6.008 1.00 0.00 C ATOM 373 O ASN A 24 20.186 -0.021 -6.449 1.00 0.00 O ATOM 374 CB ASN A 24 18.927 2.992 -4.911 1.00 0.00 C ATOM 375 CG ASN A 24 19.566 4.323 -5.269 1.00 0.00 C ATOM 376 OD1 ASN A 24 19.503 4.766 -6.414 1.00 0.00 O ATOM 377 ND2 ASN A 24 20.198 4.961 -4.298 1.00 0.00 N ATOM 0 H ASN A 24 17.927 0.197 -5.773 1.00 0.00 H new ATOM 0 HA ASN A 24 18.974 2.571 -7.009 1.00 0.00 H new ATOM 0 HB2 ASN A 24 17.894 3.158 -4.604 1.00 0.00 H new ATOM 0 HB3 ASN A 24 19.448 2.559 -4.057 1.00 0.00 H new ATOM 0 HD21 ASN A 24 20.655 5.853 -4.487 1.00 0.00 H new ATOM 0 HD22 ASN A 24 20.228 4.561 -3.360 1.00 0.00 H new ATOM 384 N ASP A 25 21.290 1.669 -5.455 1.00 0.00 N ATOM 385 CA ASP A 25 22.539 0.922 -5.335 1.00 0.00 C ATOM 386 C ASP A 25 22.387 -0.214 -4.332 1.00 0.00 C ATOM 387 O ASP A 25 22.704 -1.366 -4.632 1.00 0.00 O ATOM 388 CB ASP A 25 23.692 1.839 -4.920 1.00 0.00 C ATOM 389 CG ASP A 25 24.763 1.939 -5.990 1.00 0.00 C ATOM 390 OD1 ASP A 25 25.451 0.929 -6.245 1.00 0.00 O ATOM 391 OD2 ASP A 25 24.922 3.029 -6.581 1.00 0.00 O ATOM 0 H ASP A 25 21.328 2.618 -5.084 1.00 0.00 H new ATOM 0 HA ASP A 25 22.772 0.501 -6.313 1.00 0.00 H new ATOM 0 HB2 ASP A 25 23.302 2.834 -4.705 1.00 0.00 H new ATOM 0 HB3 ASP A 25 24.137 1.465 -3.998 1.00 0.00 H new ATOM 396 N ARG A 26 21.897 0.118 -3.145 1.00 0.00 N ATOM 397 CA ARG A 26 21.689 -0.874 -2.100 1.00 0.00 C ATOM 398 C ARG A 26 20.429 -1.687 -2.391 1.00 0.00 C ATOM 399 O ARG A 26 20.497 -2.900 -2.585 1.00 0.00 O ATOM 400 CB ARG A 26 21.595 -0.203 -0.727 1.00 0.00 C ATOM 401 CG ARG A 26 22.869 0.518 -0.308 1.00 0.00 C ATOM 402 CD ARG A 26 23.778 -0.381 0.512 1.00 0.00 C ATOM 403 NE ARG A 26 25.035 0.283 0.864 1.00 0.00 N ATOM 404 CZ ARG A 26 25.226 0.983 1.980 1.00 0.00 C ATOM 405 NH1 ARG A 26 24.249 1.097 2.873 1.00 0.00 N ATOM 406 NH2 ARG A 26 26.401 1.557 2.207 1.00 0.00 N ATOM 0 H ARG A 26 21.636 1.068 -2.882 1.00 0.00 H new ATOM 0 HA ARG A 26 22.544 -1.550 -2.087 1.00 0.00 H new ATOM 0 HB2 ARG A 26 20.771 0.511 -0.737 1.00 0.00 H new ATOM 0 HB3 ARG A 26 21.353 -0.958 0.021 1.00 0.00 H new ATOM 0 HG2 ARG A 26 23.401 0.862 -1.195 1.00 0.00 H new ATOM 0 HG3 ARG A 26 22.612 1.404 0.273 1.00 0.00 H new ATOM 0 HD2 ARG A 26 23.261 -0.685 1.422 1.00 0.00 H new ATOM 0 HD3 ARG A 26 23.993 -1.289 -0.051 1.00 0.00 H new ATOM 0 HE ARG A 26 25.815 0.204 0.211 1.00 0.00 H new ATOM 0 HH11 ARG A 26 23.349 0.647 2.705 1.00 0.00 H new ATOM 0 HH12 ARG A 26 24.399 1.634 3.727 1.00 0.00 H new ATOM 0 HH21 ARG A 26 27.155 1.461 1.527 1.00 0.00 H new ATOM 0 HH22 ARG A 26 26.550 2.094 3.061 1.00 0.00 H new ATOM 420 N GLY A 27 19.284 -1.013 -2.433 1.00 0.00 N ATOM 421 CA GLY A 27 18.036 -1.699 -2.720 1.00 0.00 C ATOM 422 C GLY A 27 16.911 -1.321 -1.776 1.00 0.00 C ATOM 423 O GLY A 27 15.738 -1.409 -2.136 1.00 0.00 O ATOM 0 H GLY A 27 19.197 -0.009 -2.274 1.00 0.00 H new ATOM 0 HA2 GLY A 27 17.733 -1.474 -3.743 1.00 0.00 H new ATOM 0 HA3 GLY A 27 18.200 -2.775 -2.665 1.00 0.00 H new ATOM 427 N ASP A 28 17.263 -0.883 -0.576 1.00 0.00 N ATOM 428 CA ASP A 28 16.266 -0.506 0.421 1.00 0.00 C ATOM 429 C ASP A 28 15.673 0.871 0.123 1.00 0.00 C ATOM 430 O ASP A 28 15.892 1.838 0.854 1.00 0.00 O ATOM 431 CB ASP A 28 16.866 -0.542 1.834 1.00 0.00 C ATOM 432 CG ASP A 28 18.083 0.354 2.003 1.00 0.00 C ATOM 433 OD1 ASP A 28 19.100 0.127 1.312 1.00 0.00 O ATOM 434 OD2 ASP A 28 18.038 1.283 2.839 1.00 0.00 O ATOM 0 H ASP A 28 18.230 -0.779 -0.267 1.00 0.00 H new ATOM 0 HA ASP A 28 15.458 -1.236 0.371 1.00 0.00 H new ATOM 0 HB2 ASP A 28 16.102 -0.242 2.551 1.00 0.00 H new ATOM 0 HB3 ASP A 28 17.144 -1.568 2.075 1.00 0.00 H new ATOM 439 N GLY A 29 14.915 0.951 -0.963 1.00 0.00 N ATOM 440 CA GLY A 29 14.289 2.202 -1.344 1.00 0.00 C ATOM 441 C GLY A 29 12.881 2.325 -0.800 1.00 0.00 C ATOM 442 O GLY A 29 12.440 3.416 -0.435 1.00 0.00 O ATOM 0 H GLY A 29 14.722 0.169 -1.589 1.00 0.00 H new ATOM 0 HA2 GLY A 29 14.892 3.034 -0.979 1.00 0.00 H new ATOM 0 HA3 GLY A 29 14.265 2.278 -2.431 1.00 0.00 H new ATOM 446 N GLY A 30 12.174 1.202 -0.741 1.00 0.00 N ATOM 447 CA GLY A 30 10.819 1.206 -0.233 1.00 0.00 C ATOM 448 C GLY A 30 9.789 1.316 -1.337 1.00 0.00 C ATOM 449 O GLY A 30 10.111 1.714 -2.458 1.00 0.00 O ATOM 0 H GLY A 30 12.518 0.288 -1.037 1.00 0.00 H new ATOM 0 HA2 GLY A 30 10.644 0.292 0.334 1.00 0.00 H new ATOM 0 HA3 GLY A 30 10.696 2.039 0.459 1.00 0.00 H new ATOM 453 N ILE A 31 8.548 0.962 -1.027 1.00 0.00 N ATOM 454 CA ILE A 31 7.471 1.022 -2.007 1.00 0.00 C ATOM 455 C ILE A 31 6.663 2.309 -1.854 1.00 0.00 C ATOM 456 O ILE A 31 6.313 2.710 -0.742 1.00 0.00 O ATOM 457 CB ILE A 31 6.531 -0.198 -1.902 1.00 0.00 C ATOM 458 CG1 ILE A 31 6.154 -0.473 -0.444 1.00 0.00 C ATOM 459 CG2 ILE A 31 7.187 -1.420 -2.528 1.00 0.00 C ATOM 460 CD1 ILE A 31 4.997 -1.438 -0.291 1.00 0.00 C ATOM 0 H ILE A 31 8.263 0.631 -0.106 1.00 0.00 H new ATOM 0 HA ILE A 31 7.938 1.009 -2.992 1.00 0.00 H new ATOM 0 HB ILE A 31 5.614 0.024 -2.448 1.00 0.00 H new ATOM 0 HG12 ILE A 31 7.023 -0.874 0.078 1.00 0.00 H new ATOM 0 HG13 ILE A 31 5.898 0.469 0.041 1.00 0.00 H new ATOM 0 HG21 ILE A 31 6.515 -2.275 -2.448 1.00 0.00 H new ATOM 0 HG22 ILE A 31 7.398 -1.221 -3.579 1.00 0.00 H new ATOM 0 HG23 ILE A 31 8.118 -1.641 -2.006 1.00 0.00 H new ATOM 0 HD11 ILE A 31 4.785 -1.586 0.768 1.00 0.00 H new ATOM 0 HD12 ILE A 31 4.115 -1.030 -0.784 1.00 0.00 H new ATOM 0 HD13 ILE A 31 5.258 -2.394 -0.746 1.00 0.00 H new ATOM 472 N TYR A 32 6.382 2.956 -2.975 1.00 0.00 N ATOM 473 CA TYR A 32 5.633 4.205 -2.976 1.00 0.00 C ATOM 474 C TYR A 32 4.365 4.085 -3.811 1.00 0.00 C ATOM 475 O TYR A 32 4.267 3.225 -4.690 1.00 0.00 O ATOM 476 CB TYR A 32 6.495 5.339 -3.538 1.00 0.00 C ATOM 477 CG TYR A 32 7.638 5.751 -2.636 1.00 0.00 C ATOM 478 CD1 TYR A 32 8.803 4.993 -2.556 1.00 0.00 C ATOM 479 CD2 TYR A 32 7.551 6.899 -1.861 1.00 0.00 C ATOM 480 CE1 TYR A 32 9.845 5.370 -1.730 1.00 0.00 C ATOM 481 CE2 TYR A 32 8.589 7.283 -1.034 1.00 0.00 C ATOM 482 CZ TYR A 32 9.733 6.515 -0.971 1.00 0.00 C ATOM 483 OH TYR A 32 10.769 6.897 -0.147 1.00 0.00 O ATOM 0 H TYR A 32 6.663 2.635 -3.901 1.00 0.00 H new ATOM 0 HA TYR A 32 5.357 4.426 -1.945 1.00 0.00 H new ATOM 0 HB2 TYR A 32 6.900 5.030 -4.502 1.00 0.00 H new ATOM 0 HB3 TYR A 32 5.861 6.206 -3.722 1.00 0.00 H new ATOM 0 HD1 TYR A 32 8.894 4.095 -3.149 1.00 0.00 H new ATOM 0 HD2 TYR A 32 6.656 7.503 -1.905 1.00 0.00 H new ATOM 0 HE1 TYR A 32 10.742 4.771 -1.680 1.00 0.00 H new ATOM 0 HE2 TYR A 32 8.505 8.181 -0.439 1.00 0.00 H new ATOM 0 HH TYR A 32 10.529 7.726 0.317 1.00 0.00 H new ATOM 493 N ILE A 33 3.393 4.937 -3.516 1.00 0.00 N ATOM 494 CA ILE A 33 2.141 4.960 -4.255 1.00 0.00 C ATOM 495 C ILE A 33 2.373 5.602 -5.616 1.00 0.00 C ATOM 496 O ILE A 33 2.674 6.792 -5.704 1.00 0.00 O ATOM 497 CB ILE A 33 1.045 5.744 -3.495 1.00 0.00 C ATOM 498 CG1 ILE A 33 0.740 5.072 -2.151 1.00 0.00 C ATOM 499 CG2 ILE A 33 -0.221 5.861 -4.336 1.00 0.00 C ATOM 500 CD1 ILE A 33 0.172 3.672 -2.281 1.00 0.00 C ATOM 0 H ILE A 33 3.450 5.625 -2.765 1.00 0.00 H new ATOM 0 HA ILE A 33 1.798 3.932 -4.374 1.00 0.00 H new ATOM 0 HB ILE A 33 1.417 6.750 -3.302 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.655 5.029 -1.561 1.00 0.00 H new ATOM 0 HG13 ILE A 33 0.033 5.691 -1.598 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.977 6.416 -3.780 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.006 6.386 -5.264 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.598 4.865 -4.566 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.018 3.263 -1.289 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.761 3.709 -2.843 1.00 0.00 H new ATOM 0 HD13 ILE A 33 0.886 3.037 -2.805 1.00 0.00 H new ATOM 512 N GLY A 34 2.248 4.810 -6.670 1.00 0.00 N ATOM 513 CA GLY A 34 2.468 5.311 -8.009 1.00 0.00 C ATOM 514 C GLY A 34 1.303 6.106 -8.541 1.00 0.00 C ATOM 515 O GLY A 34 1.391 7.323 -8.687 1.00 0.00 O ATOM 0 H GLY A 34 1.996 3.823 -6.620 1.00 0.00 H new ATOM 0 HA2 GLY A 34 3.360 5.937 -8.014 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.663 4.472 -8.677 1.00 0.00 H new ATOM 519 N SER A 35 0.203 5.432 -8.820 1.00 0.00 N ATOM 520 CA SER A 35 -0.966 6.103 -9.357 1.00 0.00 C ATOM 521 C SER A 35 -2.250 5.583 -8.722 1.00 0.00 C ATOM 522 O SER A 35 -2.372 4.392 -8.431 1.00 0.00 O ATOM 523 CB SER A 35 -1.021 5.917 -10.875 1.00 0.00 C ATOM 524 OG SER A 35 -0.022 5.007 -11.323 1.00 0.00 O ATOM 0 H SER A 35 0.094 4.427 -8.685 1.00 0.00 H new ATOM 0 HA SER A 35 -0.882 7.164 -9.122 1.00 0.00 H new ATOM 0 HB2 SER A 35 -2.006 5.549 -11.163 1.00 0.00 H new ATOM 0 HB3 SER A 35 -0.885 6.880 -11.366 1.00 0.00 H new ATOM 0 HG SER A 35 -0.083 4.907 -12.296 1.00 0.00 H new ATOM 530 N ILE A 36 -3.199 6.488 -8.512 1.00 0.00 N ATOM 531 CA ILE A 36 -4.485 6.141 -7.930 1.00 0.00 C ATOM 532 C ILE A 36 -5.496 5.870 -9.037 1.00 0.00 C ATOM 533 O ILE A 36 -5.609 6.643 -9.993 1.00 0.00 O ATOM 534 CB ILE A 36 -5.012 7.267 -7.010 1.00 0.00 C ATOM 535 CG1 ILE A 36 -4.083 7.440 -5.806 1.00 0.00 C ATOM 536 CG2 ILE A 36 -6.437 6.974 -6.548 1.00 0.00 C ATOM 537 CD1 ILE A 36 -4.461 8.598 -4.909 1.00 0.00 C ATOM 0 H ILE A 36 -3.097 7.477 -8.740 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.349 5.244 -7.325 1.00 0.00 H new ATOM 0 HB ILE A 36 -5.028 8.196 -7.579 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.087 6.521 -5.220 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.063 7.586 -6.163 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -6.783 7.781 -5.903 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -7.092 6.897 -7.416 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -6.454 6.035 -5.995 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.759 8.659 -4.078 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -4.429 9.526 -5.480 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -5.468 8.445 -4.522 1.00 0.00 H new ATOM 549 N MET A 37 -6.213 4.769 -8.909 1.00 0.00 N ATOM 550 CA MET A 37 -7.211 4.389 -9.895 1.00 0.00 C ATOM 551 C MET A 37 -8.608 4.638 -9.344 1.00 0.00 C ATOM 552 O MET A 37 -8.959 4.135 -8.274 1.00 0.00 O ATOM 553 CB MET A 37 -7.055 2.917 -10.287 1.00 0.00 C ATOM 554 CG MET A 37 -5.629 2.529 -10.645 1.00 0.00 C ATOM 555 SD MET A 37 -4.896 3.620 -11.884 1.00 0.00 S ATOM 556 CE MET A 37 -3.198 3.046 -11.883 1.00 0.00 C ATOM 0 H MET A 37 -6.123 4.119 -8.128 1.00 0.00 H new ATOM 0 HA MET A 37 -7.064 4.999 -10.787 1.00 0.00 H new ATOM 0 HB2 MET A 37 -7.396 2.292 -9.462 1.00 0.00 H new ATOM 0 HB3 MET A 37 -7.704 2.705 -11.137 1.00 0.00 H new ATOM 0 HG2 MET A 37 -5.016 2.546 -9.744 1.00 0.00 H new ATOM 0 HG3 MET A 37 -5.619 1.505 -11.018 1.00 0.00 H new ATOM 0 HE1 MET A 37 -2.618 3.626 -12.601 1.00 0.00 H new ATOM 0 HE2 MET A 37 -2.772 3.171 -10.887 1.00 0.00 H new ATOM 0 HE3 MET A 37 -3.170 1.992 -12.160 1.00 0.00 H new ATOM 566 N LYS A 38 -9.390 5.427 -10.072 1.00 0.00 N ATOM 567 CA LYS A 38 -10.750 5.757 -9.666 1.00 0.00 C ATOM 568 C LYS A 38 -11.603 4.497 -9.578 1.00 0.00 C ATOM 569 O LYS A 38 -11.650 3.700 -10.516 1.00 0.00 O ATOM 570 CB LYS A 38 -11.375 6.755 -10.649 1.00 0.00 C ATOM 571 CG LYS A 38 -12.703 7.339 -10.181 1.00 0.00 C ATOM 572 CD LYS A 38 -12.583 7.955 -8.796 1.00 0.00 C ATOM 573 CE LYS A 38 -13.843 8.709 -8.399 1.00 0.00 C ATOM 574 NZ LYS A 38 -15.065 7.866 -8.503 1.00 0.00 N ATOM 0 H LYS A 38 -9.102 5.853 -10.953 1.00 0.00 H new ATOM 0 HA LYS A 38 -10.711 6.218 -8.679 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.672 7.570 -10.819 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -11.526 6.259 -11.608 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -13.039 8.096 -10.889 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -13.462 6.556 -10.168 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -12.384 7.170 -8.066 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -11.731 8.635 -8.774 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -13.740 9.070 -7.376 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -13.954 9.586 -9.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -15.878 8.383 -8.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -15.247 7.640 -9.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -14.925 6.985 -7.969 1.00 0.00 H new ATOM 588 N GLY A 39 -12.274 4.328 -8.448 1.00 0.00 N ATOM 589 CA GLY A 39 -13.106 3.163 -8.235 1.00 0.00 C ATOM 590 C GLY A 39 -12.562 2.298 -7.120 1.00 0.00 C ATOM 591 O GLY A 39 -13.259 1.428 -6.592 1.00 0.00 O ATOM 0 H GLY A 39 -12.256 4.985 -7.668 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -14.121 3.477 -7.992 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -13.164 2.581 -9.155 1.00 0.00 H new ATOM 595 N GLY A 40 -11.307 2.542 -6.766 1.00 0.00 N ATOM 596 CA GLY A 40 -10.671 1.788 -5.711 1.00 0.00 C ATOM 597 C GLY A 40 -11.001 2.328 -4.336 1.00 0.00 C ATOM 598 O GLY A 40 -11.508 3.444 -4.203 1.00 0.00 O ATOM 0 H GLY A 40 -10.717 3.254 -7.196 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -10.984 0.746 -5.774 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -9.591 1.806 -5.856 1.00 0.00 H new ATOM 602 N ALA A 41 -10.702 1.538 -3.315 1.00 0.00 N ATOM 603 CA ALA A 41 -10.962 1.916 -1.931 1.00 0.00 C ATOM 604 C ALA A 41 -10.203 3.180 -1.528 1.00 0.00 C ATOM 605 O ALA A 41 -10.711 3.997 -0.760 1.00 0.00 O ATOM 606 CB ALA A 41 -10.604 0.767 -1.005 1.00 0.00 C ATOM 0 H ALA A 41 -10.273 0.619 -3.421 1.00 0.00 H new ATOM 0 HA ALA A 41 -12.026 2.137 -1.843 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -10.801 1.057 0.027 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -11.206 -0.106 -1.258 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -9.548 0.524 -1.118 1.00 0.00 H new ATOM 612 N VAL A 42 -8.998 3.351 -2.060 1.00 0.00 N ATOM 613 CA VAL A 42 -8.182 4.516 -1.733 1.00 0.00 C ATOM 614 C VAL A 42 -8.758 5.780 -2.366 1.00 0.00 C ATOM 615 O VAL A 42 -8.690 6.867 -1.783 1.00 0.00 O ATOM 616 CB VAL A 42 -6.722 4.324 -2.191 1.00 0.00 C ATOM 617 CG1 VAL A 42 -5.906 5.587 -1.963 1.00 0.00 C ATOM 618 CG2 VAL A 42 -6.098 3.147 -1.462 1.00 0.00 C ATOM 0 H VAL A 42 -8.565 2.701 -2.717 1.00 0.00 H new ATOM 0 HA VAL A 42 -8.194 4.626 -0.649 1.00 0.00 H new ATOM 0 HB VAL A 42 -6.723 4.116 -3.261 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -4.881 5.423 -2.295 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -6.343 6.410 -2.529 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.908 5.835 -0.902 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -5.067 3.020 -1.792 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -6.115 3.334 -0.388 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -6.664 2.242 -1.682 1.00 0.00 H new ATOM 628 N ALA A 43 -9.363 5.622 -3.537 1.00 0.00 N ATOM 629 CA ALA A 43 -9.951 6.745 -4.255 1.00 0.00 C ATOM 630 C ALA A 43 -11.160 7.299 -3.507 1.00 0.00 C ATOM 631 O ALA A 43 -11.577 8.433 -3.734 1.00 0.00 O ATOM 632 CB ALA A 43 -10.346 6.324 -5.661 1.00 0.00 C ATOM 0 H ALA A 43 -9.459 4.724 -4.010 1.00 0.00 H new ATOM 0 HA ALA A 43 -9.203 7.535 -4.322 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -10.784 7.173 -6.186 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -9.463 5.981 -6.200 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -11.075 5.515 -5.607 1.00 0.00 H new ATOM 638 N ALA A 44 -11.720 6.491 -2.615 1.00 0.00 N ATOM 639 CA ALA A 44 -12.874 6.904 -1.834 1.00 0.00 C ATOM 640 C ALA A 44 -12.450 7.666 -0.581 1.00 0.00 C ATOM 641 O ALA A 44 -13.280 8.272 0.099 1.00 0.00 O ATOM 642 CB ALA A 44 -13.718 5.695 -1.455 1.00 0.00 C ATOM 0 H ALA A 44 -11.392 5.546 -2.416 1.00 0.00 H new ATOM 0 HA ALA A 44 -13.473 7.574 -2.450 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -14.578 6.021 -0.870 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -14.063 5.194 -2.360 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -13.118 5.004 -0.863 1.00 0.00 H new ATOM 648 N ASP A 45 -11.157 7.633 -0.276 1.00 0.00 N ATOM 649 CA ASP A 45 -10.633 8.328 0.895 1.00 0.00 C ATOM 650 C ASP A 45 -10.069 9.689 0.494 1.00 0.00 C ATOM 651 O ASP A 45 -10.745 10.710 0.633 1.00 0.00 O ATOM 652 CB ASP A 45 -9.566 7.486 1.594 1.00 0.00 C ATOM 653 CG ASP A 45 -9.151 8.092 2.915 1.00 0.00 C ATOM 654 OD1 ASP A 45 -9.868 7.891 3.918 1.00 0.00 O ATOM 655 OD2 ASP A 45 -8.117 8.782 2.952 1.00 0.00 O ATOM 0 H ASP A 45 -10.454 7.134 -0.821 1.00 0.00 H new ATOM 0 HA ASP A 45 -11.452 8.485 1.597 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -9.948 6.479 1.760 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -8.694 7.393 0.947 1.00 0.00 H new ATOM 660 N GLY A 46 -8.839 9.712 -0.014 1.00 0.00 N ATOM 661 CA GLY A 46 -8.251 10.968 -0.449 1.00 0.00 C ATOM 662 C GLY A 46 -7.020 11.386 0.338 1.00 0.00 C ATOM 663 O GLY A 46 -6.298 12.295 -0.078 1.00 0.00 O ATOM 0 H GLY A 46 -8.244 8.892 -0.132 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -7.984 10.885 -1.503 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -9.002 11.754 -0.371 1.00 0.00 H new ATOM 667 N ARG A 47 -6.764 10.745 1.470 1.00 0.00 N ATOM 668 CA ARG A 47 -5.600 11.094 2.282 1.00 0.00 C ATOM 669 C ARG A 47 -4.312 10.595 1.635 1.00 0.00 C ATOM 670 O ARG A 47 -3.234 11.138 1.874 1.00 0.00 O ATOM 671 CB ARG A 47 -5.735 10.542 3.701 1.00 0.00 C ATOM 672 CG ARG A 47 -6.619 11.402 4.589 1.00 0.00 C ATOM 673 CD ARG A 47 -6.929 10.712 5.906 1.00 0.00 C ATOM 674 NE ARG A 47 -7.848 9.590 5.735 1.00 0.00 N ATOM 675 CZ ARG A 47 -8.370 8.896 6.745 1.00 0.00 C ATOM 676 NH1 ARG A 47 -8.062 9.202 8.001 1.00 0.00 N ATOM 677 NH2 ARG A 47 -9.199 7.895 6.497 1.00 0.00 N ATOM 0 H ARG A 47 -7.337 9.989 1.846 1.00 0.00 H new ATOM 0 HA ARG A 47 -5.553 12.181 2.342 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -6.146 9.534 3.655 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -4.745 10.463 4.150 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -6.124 12.353 4.784 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -7.549 11.627 4.068 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -6.002 10.356 6.355 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -7.363 11.433 6.599 1.00 0.00 H new ATOM 0 HE ARG A 47 -8.106 9.322 4.785 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -7.422 9.972 8.196 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -8.465 8.667 8.770 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -9.437 7.656 5.534 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -9.600 7.362 7.269 1.00 0.00 H new ATOM 691 N ILE A 48 -4.439 9.566 0.807 1.00 0.00 N ATOM 692 CA ILE A 48 -3.296 8.994 0.107 1.00 0.00 C ATOM 693 C ILE A 48 -3.187 9.591 -1.296 1.00 0.00 C ATOM 694 O ILE A 48 -4.201 9.809 -1.962 1.00 0.00 O ATOM 695 CB ILE A 48 -3.410 7.453 0.014 1.00 0.00 C ATOM 696 CG1 ILE A 48 -3.465 6.844 1.415 1.00 0.00 C ATOM 697 CG2 ILE A 48 -2.246 6.868 -0.777 1.00 0.00 C ATOM 698 CD1 ILE A 48 -3.715 5.351 1.423 1.00 0.00 C ATOM 0 H ILE A 48 -5.327 9.108 0.603 1.00 0.00 H new ATOM 0 HA ILE A 48 -2.398 9.237 0.675 1.00 0.00 H new ATOM 0 HB ILE A 48 -4.332 7.208 -0.513 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -2.525 7.048 1.927 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -4.252 7.338 1.985 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -2.349 5.784 -0.828 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -2.248 7.281 -1.786 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -1.307 7.120 -0.284 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -3.741 4.992 2.452 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -4.669 5.139 0.941 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -2.915 4.845 0.882 1.00 0.00 H new ATOM 710 N GLU A 49 -1.966 9.869 -1.723 1.00 0.00 N ATOM 711 CA GLU A 49 -1.714 10.441 -3.037 1.00 0.00 C ATOM 712 C GLU A 49 -0.412 9.878 -3.612 1.00 0.00 C ATOM 713 O GLU A 49 0.376 9.272 -2.882 1.00 0.00 O ATOM 714 CB GLU A 49 -1.647 11.971 -2.931 1.00 0.00 C ATOM 715 CG GLU A 49 -0.457 12.477 -2.133 1.00 0.00 C ATOM 716 CD GLU A 49 -0.701 13.839 -1.525 1.00 0.00 C ATOM 717 OE1 GLU A 49 -1.442 13.924 -0.523 1.00 0.00 O ATOM 718 OE2 GLU A 49 -0.150 14.833 -2.037 1.00 0.00 O ATOM 0 H GLU A 49 -1.124 9.705 -1.171 1.00 0.00 H new ATOM 0 HA GLU A 49 -2.528 10.175 -3.711 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -1.607 12.394 -3.935 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -2.564 12.335 -2.468 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -0.227 11.765 -1.340 1.00 0.00 H new ATOM 0 HG3 GLU A 49 0.417 12.524 -2.782 1.00 0.00 H new ATOM 725 N PRO A 50 -0.179 10.036 -4.929 1.00 0.00 N ATOM 726 CA PRO A 50 1.047 9.558 -5.571 1.00 0.00 C ATOM 727 C PRO A 50 2.283 10.155 -4.912 1.00 0.00 C ATOM 728 O PRO A 50 2.432 11.375 -4.839 1.00 0.00 O ATOM 729 CB PRO A 50 0.917 10.047 -7.016 1.00 0.00 C ATOM 730 CG PRO A 50 -0.547 10.234 -7.220 1.00 0.00 C ATOM 731 CD PRO A 50 -1.091 10.674 -5.893 1.00 0.00 C ATOM 0 HA PRO A 50 1.162 8.477 -5.495 1.00 0.00 H new ATOM 0 HB2 PRO A 50 1.461 10.979 -7.169 1.00 0.00 H new ATOM 0 HB3 PRO A 50 1.325 9.320 -7.718 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -0.742 10.981 -7.990 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -1.018 9.307 -7.548 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -1.085 11.760 -5.795 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -2.121 10.346 -5.751 1.00 0.00 H new ATOM 739 N GLY A 51 3.155 9.294 -4.419 1.00 0.00 N ATOM 740 CA GLY A 51 4.355 9.751 -3.755 1.00 0.00 C ATOM 741 C GLY A 51 4.413 9.279 -2.318 1.00 0.00 C ATOM 742 O GLY A 51 5.482 9.251 -1.708 1.00 0.00 O ATOM 0 H GLY A 51 3.053 8.280 -4.467 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.230 9.387 -4.293 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.394 10.840 -3.782 1.00 0.00 H new ATOM 746 N ASP A 52 3.254 8.914 -1.778 1.00 0.00 N ATOM 747 CA ASP A 52 3.166 8.425 -0.406 1.00 0.00 C ATOM 748 C ASP A 52 3.866 7.075 -0.288 1.00 0.00 C ATOM 749 O ASP A 52 3.702 6.209 -1.146 1.00 0.00 O ATOM 750 CB ASP A 52 1.703 8.275 0.031 1.00 0.00 C ATOM 751 CG ASP A 52 0.996 9.595 0.274 1.00 0.00 C ATOM 752 OD1 ASP A 52 1.670 10.634 0.428 1.00 0.00 O ATOM 753 OD2 ASP A 52 -0.250 9.599 0.315 1.00 0.00 O ATOM 0 H ASP A 52 2.361 8.948 -2.271 1.00 0.00 H new ATOM 0 HA ASP A 52 3.654 9.152 0.243 1.00 0.00 H new ATOM 0 HB2 ASP A 52 1.161 7.719 -0.734 1.00 0.00 H new ATOM 0 HB3 ASP A 52 1.666 7.681 0.944 1.00 0.00 H new ATOM 758 N MET A 53 4.654 6.900 0.762 1.00 0.00 N ATOM 759 CA MET A 53 5.369 5.646 0.968 1.00 0.00 C ATOM 760 C MET A 53 4.586 4.723 1.890 1.00 0.00 C ATOM 761 O MET A 53 4.092 5.150 2.932 1.00 0.00 O ATOM 762 CB MET A 53 6.755 5.902 1.557 1.00 0.00 C ATOM 763 CG MET A 53 7.550 4.631 1.808 1.00 0.00 C ATOM 764 SD MET A 53 9.135 4.942 2.609 1.00 0.00 S ATOM 765 CE MET A 53 9.680 3.265 2.936 1.00 0.00 C ATOM 0 H MET A 53 4.815 7.605 1.482 1.00 0.00 H new ATOM 0 HA MET A 53 5.481 5.165 -0.004 1.00 0.00 H new ATOM 0 HB2 MET A 53 7.316 6.545 0.879 1.00 0.00 H new ATOM 0 HB3 MET A 53 6.648 6.446 2.496 1.00 0.00 H new ATOM 0 HG2 MET A 53 6.961 3.957 2.429 1.00 0.00 H new ATOM 0 HG3 MET A 53 7.722 4.122 0.859 1.00 0.00 H new ATOM 0 HE1 MET A 53 10.766 3.215 2.864 1.00 0.00 H new ATOM 0 HE2 MET A 53 9.369 2.970 3.938 1.00 0.00 H new ATOM 0 HE3 MET A 53 9.236 2.589 2.205 1.00 0.00 H new ATOM 775 N LEU A 54 4.480 3.461 1.508 1.00 0.00 N ATOM 776 CA LEU A 54 3.766 2.482 2.312 1.00 0.00 C ATOM 777 C LEU A 54 4.714 1.837 3.311 1.00 0.00 C ATOM 778 O LEU A 54 5.714 1.230 2.929 1.00 0.00 O ATOM 779 CB LEU A 54 3.128 1.411 1.425 1.00 0.00 C ATOM 780 CG LEU A 54 1.703 1.713 0.959 1.00 0.00 C ATOM 781 CD1 LEU A 54 1.253 0.689 -0.071 1.00 0.00 C ATOM 782 CD2 LEU A 54 0.750 1.727 2.141 1.00 0.00 C ATOM 0 H LEU A 54 4.879 3.090 0.646 1.00 0.00 H new ATOM 0 HA LEU A 54 2.972 2.996 2.854 1.00 0.00 H new ATOM 0 HB2 LEU A 54 3.757 1.268 0.547 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.122 0.467 1.970 1.00 0.00 H new ATOM 0 HG LEU A 54 1.694 2.699 0.495 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.237 0.918 -0.392 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.921 0.720 -0.931 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.278 -0.307 0.371 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.260 1.943 1.792 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.764 0.753 2.631 1.00 0.00 H new ATOM 0 HD23 LEU A 54 1.061 2.494 2.850 1.00 0.00 H new ATOM 794 N LEU A 55 4.408 1.992 4.590 1.00 0.00 N ATOM 795 CA LEU A 55 5.240 1.424 5.638 1.00 0.00 C ATOM 796 C LEU A 55 4.629 0.133 6.163 1.00 0.00 C ATOM 797 O LEU A 55 5.140 -0.955 5.920 1.00 0.00 O ATOM 798 CB LEU A 55 5.406 2.409 6.799 1.00 0.00 C ATOM 799 CG LEU A 55 5.843 3.820 6.418 1.00 0.00 C ATOM 800 CD1 LEU A 55 6.033 4.663 7.668 1.00 0.00 C ATOM 801 CD2 LEU A 55 7.126 3.779 5.604 1.00 0.00 C ATOM 0 H LEU A 55 3.593 2.505 4.926 1.00 0.00 H new ATOM 0 HA LEU A 55 6.219 1.214 5.206 1.00 0.00 H new ATOM 0 HB2 LEU A 55 4.458 2.475 7.333 1.00 0.00 H new ATOM 0 HB3 LEU A 55 6.137 1.999 7.496 1.00 0.00 H new ATOM 0 HG LEU A 55 5.064 4.273 5.805 1.00 0.00 H new ATOM 0 HD11 LEU A 55 6.345 5.668 7.385 1.00 0.00 H new ATOM 0 HD12 LEU A 55 5.093 4.716 8.217 1.00 0.00 H new ATOM 0 HD13 LEU A 55 6.797 4.210 8.299 1.00 0.00 H new ATOM 0 HD21 LEU A 55 7.423 4.794 5.341 1.00 0.00 H new ATOM 0 HD22 LEU A 55 7.915 3.311 6.192 1.00 0.00 H new ATOM 0 HD23 LEU A 55 6.961 3.202 4.694 1.00 0.00 H new ATOM 813 N GLN A 56 3.522 0.270 6.870 1.00 0.00 N ATOM 814 CA GLN A 56 2.841 -0.870 7.451 1.00 0.00 C ATOM 815 C GLN A 56 1.471 -1.065 6.814 1.00 0.00 C ATOM 816 O GLN A 56 0.701 -0.113 6.664 1.00 0.00 O ATOM 817 CB GLN A 56 2.703 -0.667 8.964 1.00 0.00 C ATOM 818 CG GLN A 56 2.102 -1.850 9.702 1.00 0.00 C ATOM 819 CD GLN A 56 2.019 -1.618 11.198 1.00 0.00 C ATOM 820 OE1 GLN A 56 1.023 -1.106 11.704 1.00 0.00 O ATOM 821 NE2 GLN A 56 3.063 -1.994 11.916 1.00 0.00 N ATOM 0 H GLN A 56 3.074 1.167 7.056 1.00 0.00 H new ATOM 0 HA GLN A 56 3.430 -1.767 7.260 1.00 0.00 H new ATOM 0 HB2 GLN A 56 3.687 -0.456 9.381 1.00 0.00 H new ATOM 0 HB3 GLN A 56 2.084 0.212 9.146 1.00 0.00 H new ATOM 0 HG2 GLN A 56 1.104 -2.049 9.312 1.00 0.00 H new ATOM 0 HG3 GLN A 56 2.703 -2.739 9.508 1.00 0.00 H new ATOM 0 HE21 GLN A 56 3.871 -2.416 11.459 1.00 0.00 H new ATOM 0 HE22 GLN A 56 3.060 -1.863 12.928 1.00 0.00 H new ATOM 830 N VAL A 57 1.179 -2.294 6.429 1.00 0.00 N ATOM 831 CA VAL A 57 -0.101 -2.626 5.827 1.00 0.00 C ATOM 832 C VAL A 57 -0.754 -3.754 6.612 1.00 0.00 C ATOM 833 O VAL A 57 -0.505 -4.927 6.355 1.00 0.00 O ATOM 834 CB VAL A 57 0.039 -3.037 4.341 1.00 0.00 C ATOM 835 CG1 VAL A 57 -1.306 -3.467 3.769 1.00 0.00 C ATOM 836 CG2 VAL A 57 0.624 -1.895 3.520 1.00 0.00 C ATOM 0 H VAL A 57 1.816 -3.085 6.523 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.724 -1.732 5.861 1.00 0.00 H new ATOM 0 HB VAL A 57 0.721 -3.886 4.288 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.183 -3.751 2.724 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -1.686 -4.318 4.334 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -2.012 -2.640 3.839 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.714 -2.204 2.479 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.032 -1.027 3.585 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.609 -1.635 3.908 1.00 0.00 H new ATOM 846 N ASN A 58 -1.557 -3.377 7.593 1.00 0.00 N ATOM 847 CA ASN A 58 -2.256 -4.330 8.447 1.00 0.00 C ATOM 848 C ASN A 58 -1.267 -5.150 9.270 1.00 0.00 C ATOM 849 O ASN A 58 -0.987 -6.311 8.955 1.00 0.00 O ATOM 850 CB ASN A 58 -3.169 -5.254 7.627 1.00 0.00 C ATOM 851 CG ASN A 58 -4.641 -4.977 7.867 1.00 0.00 C ATOM 852 OD1 ASN A 58 -5.019 -3.889 8.306 1.00 0.00 O ATOM 853 ND2 ASN A 58 -5.486 -5.951 7.575 1.00 0.00 N ATOM 0 H ASN A 58 -1.745 -2.401 7.822 1.00 0.00 H new ATOM 0 HA ASN A 58 -2.884 -3.758 9.130 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -2.947 -5.131 6.567 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -2.952 -6.292 7.880 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -6.488 -5.815 7.711 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -5.136 -6.838 7.213 1.00 0.00 H new ATOM 860 N ASP A 59 -0.721 -4.507 10.304 1.00 0.00 N ATOM 861 CA ASP A 59 0.235 -5.120 11.238 1.00 0.00 C ATOM 862 C ASP A 59 1.621 -5.339 10.631 1.00 0.00 C ATOM 863 O ASP A 59 2.620 -4.943 11.228 1.00 0.00 O ATOM 864 CB ASP A 59 -0.302 -6.438 11.803 1.00 0.00 C ATOM 865 CG ASP A 59 -1.234 -6.222 12.976 1.00 0.00 C ATOM 866 OD1 ASP A 59 -0.800 -5.622 13.979 1.00 0.00 O ATOM 867 OD2 ASP A 59 -2.408 -6.648 12.897 1.00 0.00 O ATOM 0 H ASP A 59 -0.931 -3.533 10.522 1.00 0.00 H new ATOM 0 HA ASP A 59 0.350 -4.402 12.050 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -0.829 -6.980 11.018 1.00 0.00 H new ATOM 0 HB3 ASP A 59 0.534 -7.064 12.116 1.00 0.00 H new ATOM 872 N VAL A 60 1.694 -5.971 9.468 1.00 0.00 N ATOM 873 CA VAL A 60 2.984 -6.237 8.835 1.00 0.00 C ATOM 874 C VAL A 60 3.637 -4.955 8.323 1.00 0.00 C ATOM 875 O VAL A 60 3.008 -4.152 7.632 1.00 0.00 O ATOM 876 CB VAL A 60 2.877 -7.259 7.679 1.00 0.00 C ATOM 877 CG1 VAL A 60 2.672 -8.658 8.231 1.00 0.00 C ATOM 878 CG2 VAL A 60 1.758 -6.899 6.717 1.00 0.00 C ATOM 0 H VAL A 60 0.885 -6.307 8.945 1.00 0.00 H new ATOM 0 HA VAL A 60 3.612 -6.669 9.614 1.00 0.00 H new ATOM 0 HB VAL A 60 3.813 -7.231 7.122 1.00 0.00 H new ATOM 0 HG11 VAL A 60 2.598 -9.367 7.407 1.00 0.00 H new ATOM 0 HG12 VAL A 60 3.517 -8.926 8.866 1.00 0.00 H new ATOM 0 HG13 VAL A 60 1.754 -8.687 8.818 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.713 -7.639 5.918 1.00 0.00 H new ATOM 0 HG22 VAL A 60 0.809 -6.884 7.252 1.00 0.00 H new ATOM 0 HG23 VAL A 60 1.948 -5.915 6.289 1.00 0.00 H new ATOM 888 N ASN A 61 4.898 -4.773 8.679 1.00 0.00 N ATOM 889 CA ASN A 61 5.656 -3.598 8.275 1.00 0.00 C ATOM 890 C ASN A 61 6.675 -3.980 7.209 1.00 0.00 C ATOM 891 O ASN A 61 7.324 -5.020 7.316 1.00 0.00 O ATOM 892 CB ASN A 61 6.374 -2.997 9.488 1.00 0.00 C ATOM 893 CG ASN A 61 6.826 -1.568 9.263 1.00 0.00 C ATOM 894 OD1 ASN A 61 7.025 -1.138 8.132 1.00 0.00 O ATOM 895 ND2 ASN A 61 6.997 -0.824 10.341 1.00 0.00 N ATOM 0 H ASN A 61 5.424 -5.432 9.253 1.00 0.00 H new ATOM 0 HA ASN A 61 4.970 -2.857 7.864 1.00 0.00 H new ATOM 0 HB2 ASN A 61 5.708 -3.030 10.350 1.00 0.00 H new ATOM 0 HB3 ASN A 61 7.240 -3.612 9.731 1.00 0.00 H new ATOM 0 HD21 ASN A 61 7.305 0.144 10.249 1.00 0.00 H new ATOM 0 HD22 ASN A 61 6.821 -1.218 11.265 1.00 0.00 H new ATOM 902 N PHE A 62 6.817 -3.143 6.190 1.00 0.00 N ATOM 903 CA PHE A 62 7.750 -3.416 5.102 1.00 0.00 C ATOM 904 C PHE A 62 8.928 -2.444 5.111 1.00 0.00 C ATOM 905 O PHE A 62 9.718 -2.409 4.166 1.00 0.00 O ATOM 906 CB PHE A 62 7.031 -3.336 3.755 1.00 0.00 C ATOM 907 CG PHE A 62 5.759 -4.131 3.699 1.00 0.00 C ATOM 908 CD1 PHE A 62 5.753 -5.481 4.011 1.00 0.00 C ATOM 909 CD2 PHE A 62 4.570 -3.527 3.328 1.00 0.00 C ATOM 910 CE1 PHE A 62 4.583 -6.213 3.955 1.00 0.00 C ATOM 911 CE2 PHE A 62 3.398 -4.253 3.269 1.00 0.00 C ATOM 912 CZ PHE A 62 3.403 -5.597 3.583 1.00 0.00 C ATOM 0 H PHE A 62 6.299 -2.270 6.093 1.00 0.00 H new ATOM 0 HA PHE A 62 8.139 -4.423 5.251 1.00 0.00 H new ATOM 0 HB2 PHE A 62 6.806 -2.292 3.535 1.00 0.00 H new ATOM 0 HB3 PHE A 62 7.704 -3.689 2.973 1.00 0.00 H new ATOM 0 HD1 PHE A 62 6.673 -5.966 4.301 1.00 0.00 H new ATOM 0 HD2 PHE A 62 4.560 -2.475 3.082 1.00 0.00 H new ATOM 0 HE1 PHE A 62 4.590 -7.264 4.201 1.00 0.00 H new ATOM 0 HE2 PHE A 62 2.477 -3.770 2.977 1.00 0.00 H new ATOM 0 HZ PHE A 62 2.486 -6.166 3.538 1.00 0.00 H new ATOM 922 N GLU A 63 9.048 -1.662 6.182 1.00 0.00 N ATOM 923 CA GLU A 63 10.134 -0.684 6.312 1.00 0.00 C ATOM 924 C GLU A 63 11.510 -1.333 6.174 1.00 0.00 C ATOM 925 O GLU A 63 12.425 -0.750 5.588 1.00 0.00 O ATOM 926 CB GLU A 63 10.052 0.041 7.658 1.00 0.00 C ATOM 927 CG GLU A 63 9.013 1.152 7.696 1.00 0.00 C ATOM 928 CD GLU A 63 9.037 1.928 8.998 1.00 0.00 C ATOM 929 OE1 GLU A 63 9.925 2.790 9.159 1.00 0.00 O ATOM 930 OE2 GLU A 63 8.169 1.684 9.863 1.00 0.00 O ATOM 0 H GLU A 63 8.407 -1.684 6.975 1.00 0.00 H new ATOM 0 HA GLU A 63 10.010 0.033 5.500 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.822 -0.685 8.438 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.029 0.462 7.893 1.00 0.00 H new ATOM 0 HG2 GLU A 63 9.188 1.837 6.866 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.022 0.722 7.551 1.00 0.00 H new ATOM 937 N ASN A 64 11.652 -2.539 6.700 1.00 0.00 N ATOM 938 CA ASN A 64 12.924 -3.249 6.648 1.00 0.00 C ATOM 939 C ASN A 64 12.850 -4.449 5.708 1.00 0.00 C ATOM 940 O ASN A 64 13.667 -5.364 5.790 1.00 0.00 O ATOM 941 CB ASN A 64 13.332 -3.712 8.049 1.00 0.00 C ATOM 942 CG ASN A 64 13.835 -2.579 8.921 1.00 0.00 C ATOM 943 OD1 ASN A 64 14.450 -1.625 8.439 1.00 0.00 O ATOM 944 ND2 ASN A 64 13.572 -2.670 10.213 1.00 0.00 N ATOM 0 H ASN A 64 10.903 -3.049 7.169 1.00 0.00 H new ATOM 0 HA ASN A 64 13.675 -2.559 6.264 1.00 0.00 H new ATOM 0 HB2 ASN A 64 12.477 -4.185 8.533 1.00 0.00 H new ATOM 0 HB3 ASN A 64 14.110 -4.471 7.963 1.00 0.00 H new ATOM 0 HD21 ASN A 64 13.881 -1.935 10.849 1.00 0.00 H new ATOM 0 HD22 ASN A 64 13.060 -3.475 10.574 1.00 0.00 H new ATOM 951 N MET A 65 11.872 -4.447 4.813 1.00 0.00 N ATOM 952 CA MET A 65 11.715 -5.545 3.867 1.00 0.00 C ATOM 953 C MET A 65 11.984 -5.069 2.448 1.00 0.00 C ATOM 954 O MET A 65 11.833 -3.885 2.140 1.00 0.00 O ATOM 955 CB MET A 65 10.313 -6.149 3.965 1.00 0.00 C ATOM 956 CG MET A 65 10.110 -7.013 5.200 1.00 0.00 C ATOM 957 SD MET A 65 8.432 -7.665 5.335 1.00 0.00 S ATOM 958 CE MET A 65 8.382 -8.793 3.948 1.00 0.00 C ATOM 0 H MET A 65 11.180 -3.704 4.721 1.00 0.00 H new ATOM 0 HA MET A 65 12.442 -6.317 4.120 1.00 0.00 H new ATOM 0 HB2 MET A 65 9.579 -5.344 3.970 1.00 0.00 H new ATOM 0 HB3 MET A 65 10.122 -6.749 3.076 1.00 0.00 H new ATOM 0 HG2 MET A 65 10.816 -7.843 5.176 1.00 0.00 H new ATOM 0 HG3 MET A 65 10.339 -6.426 6.089 1.00 0.00 H new ATOM 0 HE1 MET A 65 7.719 -9.626 4.180 1.00 0.00 H new ATOM 0 HE2 MET A 65 8.012 -8.269 3.066 1.00 0.00 H new ATOM 0 HE3 MET A 65 9.385 -9.172 3.751 1.00 0.00 H new ATOM 968 N SER A 66 12.400 -5.996 1.597 1.00 0.00 N ATOM 969 CA SER A 66 12.696 -5.689 0.205 1.00 0.00 C ATOM 970 C SER A 66 11.436 -5.233 -0.529 1.00 0.00 C ATOM 971 O SER A 66 10.326 -5.618 -0.159 1.00 0.00 O ATOM 972 CB SER A 66 13.285 -6.926 -0.469 1.00 0.00 C ATOM 973 OG SER A 66 13.621 -7.914 0.496 1.00 0.00 O ATOM 0 H SER A 66 12.541 -6.974 1.849 1.00 0.00 H new ATOM 0 HA SER A 66 13.420 -4.875 0.166 1.00 0.00 H new ATOM 0 HB2 SER A 66 12.567 -7.335 -1.180 1.00 0.00 H new ATOM 0 HB3 SER A 66 14.173 -6.648 -1.037 1.00 0.00 H new ATOM 0 HG SER A 66 13.173 -8.756 0.272 1.00 0.00 H new ATOM 979 N ASN A 67 11.619 -4.420 -1.569 1.00 0.00 N ATOM 980 CA ASN A 67 10.499 -3.900 -2.358 1.00 0.00 C ATOM 981 C ASN A 67 9.613 -5.033 -2.867 1.00 0.00 C ATOM 982 O ASN A 67 8.386 -4.969 -2.764 1.00 0.00 O ATOM 983 CB ASN A 67 11.004 -3.081 -3.551 1.00 0.00 C ATOM 984 CG ASN A 67 11.803 -1.861 -3.137 1.00 0.00 C ATOM 985 OD1 ASN A 67 11.652 -1.350 -2.029 1.00 0.00 O ATOM 986 ND2 ASN A 67 12.656 -1.383 -4.028 1.00 0.00 N ATOM 0 H ASN A 67 12.536 -4.105 -1.887 1.00 0.00 H new ATOM 0 HA ASN A 67 9.913 -3.256 -1.702 1.00 0.00 H new ATOM 0 HB2 ASN A 67 11.623 -3.716 -4.184 1.00 0.00 H new ATOM 0 HB3 ASN A 67 10.153 -2.764 -4.153 1.00 0.00 H new ATOM 0 HD21 ASN A 67 13.218 -0.561 -3.806 1.00 0.00 H new ATOM 0 HD22 ASN A 67 12.752 -1.836 -4.937 1.00 0.00 H new ATOM 993 N ASP A 68 10.241 -6.073 -3.410 1.00 0.00 N ATOM 994 CA ASP A 68 9.511 -7.226 -3.933 1.00 0.00 C ATOM 995 C ASP A 68 8.729 -7.914 -2.828 1.00 0.00 C ATOM 996 O ASP A 68 7.546 -8.208 -2.982 1.00 0.00 O ATOM 997 CB ASP A 68 10.466 -8.236 -4.575 1.00 0.00 C ATOM 998 CG ASP A 68 10.945 -7.807 -5.944 1.00 0.00 C ATOM 999 OD1 ASP A 68 10.117 -7.742 -6.876 1.00 0.00 O ATOM 1000 OD2 ASP A 68 12.158 -7.543 -6.095 1.00 0.00 O ATOM 0 H ASP A 68 11.255 -6.141 -3.500 1.00 0.00 H new ATOM 0 HA ASP A 68 8.819 -6.858 -4.691 1.00 0.00 H new ATOM 0 HB2 ASP A 68 11.328 -8.379 -3.923 1.00 0.00 H new ATOM 0 HB3 ASP A 68 9.965 -9.201 -4.657 1.00 0.00 H new ATOM 1005 N ASP A 69 9.399 -8.144 -1.703 1.00 0.00 N ATOM 1006 CA ASP A 69 8.786 -8.809 -0.554 1.00 0.00 C ATOM 1007 C ASP A 69 7.603 -8.012 -0.039 1.00 0.00 C ATOM 1008 O ASP A 69 6.584 -8.580 0.352 1.00 0.00 O ATOM 1009 CB ASP A 69 9.813 -9.014 0.563 1.00 0.00 C ATOM 1010 CG ASP A 69 10.765 -10.149 0.262 1.00 0.00 C ATOM 1011 OD1 ASP A 69 10.291 -11.283 0.049 1.00 0.00 O ATOM 1012 OD2 ASP A 69 11.989 -9.911 0.222 1.00 0.00 O ATOM 0 H ASP A 69 10.373 -7.878 -1.561 1.00 0.00 H new ATOM 0 HA ASP A 69 8.429 -9.785 -0.881 1.00 0.00 H new ATOM 0 HB2 ASP A 69 10.380 -8.094 0.706 1.00 0.00 H new ATOM 0 HB3 ASP A 69 9.293 -9.217 1.499 1.00 0.00 H new ATOM 1017 N ALA A 70 7.742 -6.692 -0.054 1.00 0.00 N ATOM 1018 CA ALA A 70 6.684 -5.801 0.393 1.00 0.00 C ATOM 1019 C ALA A 70 5.426 -6.017 -0.438 1.00 0.00 C ATOM 1020 O ALA A 70 4.331 -6.173 0.100 1.00 0.00 O ATOM 1021 CB ALA A 70 7.140 -4.354 0.305 1.00 0.00 C ATOM 0 H ALA A 70 8.585 -6.214 -0.374 1.00 0.00 H new ATOM 0 HA ALA A 70 6.453 -6.027 1.434 1.00 0.00 H new ATOM 0 HB1 ALA A 70 6.337 -3.698 0.643 1.00 0.00 H new ATOM 0 HB2 ALA A 70 8.017 -4.210 0.937 1.00 0.00 H new ATOM 0 HB3 ALA A 70 7.394 -4.115 -0.728 1.00 0.00 H new ATOM 1027 N VAL A 71 5.596 -6.047 -1.756 1.00 0.00 N ATOM 1028 CA VAL A 71 4.477 -6.261 -2.661 1.00 0.00 C ATOM 1029 C VAL A 71 3.948 -7.691 -2.535 1.00 0.00 C ATOM 1030 O VAL A 71 2.742 -7.919 -2.598 1.00 0.00 O ATOM 1031 CB VAL A 71 4.865 -5.979 -4.130 1.00 0.00 C ATOM 1032 CG1 VAL A 71 3.690 -6.240 -5.057 1.00 0.00 C ATOM 1033 CG2 VAL A 71 5.352 -4.548 -4.291 1.00 0.00 C ATOM 0 H VAL A 71 6.497 -5.926 -2.219 1.00 0.00 H new ATOM 0 HA VAL A 71 3.694 -5.559 -2.375 1.00 0.00 H new ATOM 0 HB VAL A 71 5.676 -6.655 -4.400 1.00 0.00 H new ATOM 0 HG11 VAL A 71 3.986 -6.035 -6.086 1.00 0.00 H new ATOM 0 HG12 VAL A 71 3.381 -7.282 -4.969 1.00 0.00 H new ATOM 0 HG13 VAL A 71 2.859 -5.591 -4.782 1.00 0.00 H new ATOM 0 HG21 VAL A 71 5.620 -4.370 -5.332 1.00 0.00 H new ATOM 0 HG22 VAL A 71 4.560 -3.859 -3.997 1.00 0.00 H new ATOM 0 HG23 VAL A 71 6.225 -4.388 -3.659 1.00 0.00 H new ATOM 1043 N ARG A 72 4.860 -8.646 -2.343 1.00 0.00 N ATOM 1044 CA ARG A 72 4.490 -10.054 -2.193 1.00 0.00 C ATOM 1045 C ARG A 72 3.487 -10.228 -1.060 1.00 0.00 C ATOM 1046 O ARG A 72 2.392 -10.750 -1.266 1.00 0.00 O ATOM 1047 CB ARG A 72 5.728 -10.917 -1.928 1.00 0.00 C ATOM 1048 CG ARG A 72 6.564 -11.192 -3.167 1.00 0.00 C ATOM 1049 CD ARG A 72 7.834 -11.955 -2.827 1.00 0.00 C ATOM 1050 NE ARG A 72 8.754 -12.019 -3.963 1.00 0.00 N ATOM 1051 CZ ARG A 72 10.063 -11.775 -3.887 1.00 0.00 C ATOM 1052 NH1 ARG A 72 10.632 -11.478 -2.730 1.00 0.00 N ATOM 1053 NH2 ARG A 72 10.810 -11.845 -4.979 1.00 0.00 N ATOM 0 H ARG A 72 5.863 -8.469 -2.288 1.00 0.00 H new ATOM 0 HA ARG A 72 4.029 -10.380 -3.126 1.00 0.00 H new ATOM 0 HB2 ARG A 72 6.351 -10.422 -1.184 1.00 0.00 H new ATOM 0 HB3 ARG A 72 5.411 -11.867 -1.497 1.00 0.00 H new ATOM 0 HG2 ARG A 72 5.976 -11.765 -3.884 1.00 0.00 H new ATOM 0 HG3 ARG A 72 6.823 -10.249 -3.648 1.00 0.00 H new ATOM 0 HD2 ARG A 72 8.331 -11.475 -1.984 1.00 0.00 H new ATOM 0 HD3 ARG A 72 7.576 -12.966 -2.511 1.00 0.00 H new ATOM 0 HE ARG A 72 8.368 -12.267 -4.874 1.00 0.00 H new ATOM 0 HH11 ARG A 72 10.068 -11.433 -1.881 1.00 0.00 H new ATOM 0 HH12 ARG A 72 11.634 -11.294 -2.687 1.00 0.00 H new ATOM 0 HH21 ARG A 72 10.384 -12.085 -5.874 1.00 0.00 H new ATOM 0 HH22 ARG A 72 11.811 -11.659 -4.925 1.00 0.00 H new ATOM 1067 N VAL A 73 3.859 -9.769 0.132 1.00 0.00 N ATOM 1068 CA VAL A 73 2.984 -9.872 1.294 1.00 0.00 C ATOM 1069 C VAL A 73 1.716 -9.054 1.075 1.00 0.00 C ATOM 1070 O VAL A 73 0.616 -9.485 1.427 1.00 0.00 O ATOM 1071 CB VAL A 73 3.685 -9.405 2.589 1.00 0.00 C ATOM 1072 CG1 VAL A 73 2.789 -9.619 3.802 1.00 0.00 C ATOM 1073 CG2 VAL A 73 5.014 -10.126 2.775 1.00 0.00 C ATOM 0 H VAL A 73 4.758 -9.324 0.317 1.00 0.00 H new ATOM 0 HA VAL A 73 2.727 -10.925 1.412 1.00 0.00 H new ATOM 0 HB VAL A 73 3.883 -8.337 2.496 1.00 0.00 H new ATOM 0 HG11 VAL A 73 3.306 -9.282 4.700 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.868 -9.050 3.679 1.00 0.00 H new ATOM 0 HG13 VAL A 73 2.551 -10.679 3.896 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.490 -9.781 3.693 1.00 0.00 H new ATOM 0 HG22 VAL A 73 4.840 -11.200 2.838 1.00 0.00 H new ATOM 0 HG23 VAL A 73 5.665 -9.913 1.927 1.00 0.00 H new ATOM 1083 N LEU A 74 1.876 -7.881 0.466 1.00 0.00 N ATOM 1084 CA LEU A 74 0.747 -7.006 0.180 1.00 0.00 C ATOM 1085 C LEU A 74 -0.289 -7.726 -0.673 1.00 0.00 C ATOM 1086 O LEU A 74 -1.484 -7.658 -0.399 1.00 0.00 O ATOM 1087 CB LEU A 74 1.222 -5.743 -0.536 1.00 0.00 C ATOM 1088 CG LEU A 74 0.112 -4.781 -0.967 1.00 0.00 C ATOM 1089 CD1 LEU A 74 -0.528 -4.127 0.247 1.00 0.00 C ATOM 1090 CD2 LEU A 74 0.660 -3.727 -1.910 1.00 0.00 C ATOM 0 H LEU A 74 2.779 -7.516 0.162 1.00 0.00 H new ATOM 0 HA LEU A 74 0.286 -6.725 1.127 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.909 -5.209 0.121 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.789 -6.037 -1.419 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.653 -5.352 -1.494 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -1.315 -3.447 -0.079 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.956 -4.895 0.891 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.228 -3.570 0.801 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -0.142 -3.052 -2.207 1.00 0.00 H new ATOM 0 HD22 LEU A 74 1.444 -3.161 -1.407 1.00 0.00 H new ATOM 0 HD23 LEU A 74 1.073 -4.210 -2.795 1.00 0.00 H new ATOM 1102 N ARG A 75 0.183 -8.432 -1.696 1.00 0.00 N ATOM 1103 CA ARG A 75 -0.695 -9.166 -2.599 1.00 0.00 C ATOM 1104 C ARG A 75 -1.533 -10.195 -1.846 1.00 0.00 C ATOM 1105 O ARG A 75 -2.703 -10.400 -2.165 1.00 0.00 O ATOM 1106 CB ARG A 75 0.121 -9.852 -3.696 1.00 0.00 C ATOM 1107 CG ARG A 75 0.687 -8.885 -4.725 1.00 0.00 C ATOM 1108 CD ARG A 75 1.477 -9.598 -5.809 1.00 0.00 C ATOM 1109 NE ARG A 75 0.602 -10.168 -6.833 1.00 0.00 N ATOM 1110 CZ ARG A 75 0.832 -10.092 -8.147 1.00 0.00 C ATOM 1111 NH1 ARG A 75 1.901 -9.450 -8.607 1.00 0.00 N ATOM 1112 NH2 ARG A 75 -0.019 -10.641 -9.003 1.00 0.00 N ATOM 0 H ARG A 75 1.175 -8.511 -1.920 1.00 0.00 H new ATOM 0 HA ARG A 75 -1.375 -8.448 -3.058 1.00 0.00 H new ATOM 0 HB2 ARG A 75 0.942 -10.403 -3.237 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -0.509 -10.583 -4.203 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -0.129 -8.324 -5.182 1.00 0.00 H new ATOM 0 HG3 ARG A 75 1.331 -8.161 -4.225 1.00 0.00 H new ATOM 0 HD2 ARG A 75 2.171 -8.898 -6.273 1.00 0.00 H new ATOM 0 HD3 ARG A 75 2.076 -10.391 -5.361 1.00 0.00 H new ATOM 0 HE ARG A 75 -0.239 -10.655 -6.524 1.00 0.00 H new ATOM 0 HH11 ARG A 75 2.552 -9.011 -7.956 1.00 0.00 H new ATOM 0 HH12 ARG A 75 2.070 -9.396 -9.611 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -0.850 -11.122 -8.659 1.00 0.00 H new ATOM 0 HH22 ARG A 75 0.157 -10.582 -10.006 1.00 0.00 H new ATOM 1126 N GLU A 76 -0.936 -10.833 -0.844 1.00 0.00 N ATOM 1127 CA GLU A 76 -1.646 -11.831 -0.048 1.00 0.00 C ATOM 1128 C GLU A 76 -2.758 -11.172 0.774 1.00 0.00 C ATOM 1129 O GLU A 76 -3.853 -11.715 0.906 1.00 0.00 O ATOM 1130 CB GLU A 76 -0.678 -12.569 0.878 1.00 0.00 C ATOM 1131 CG GLU A 76 0.504 -13.201 0.157 1.00 0.00 C ATOM 1132 CD GLU A 76 0.086 -14.192 -0.914 1.00 0.00 C ATOM 1133 OE1 GLU A 76 -0.921 -14.908 -0.715 1.00 0.00 O ATOM 1134 OE2 GLU A 76 0.771 -14.270 -1.957 1.00 0.00 O ATOM 0 H GLU A 76 0.033 -10.679 -0.564 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.095 -12.552 -0.731 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -0.303 -11.871 1.627 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -1.223 -13.347 1.412 1.00 0.00 H new ATOM 0 HG2 GLU A 76 1.107 -12.415 -0.298 1.00 0.00 H new ATOM 0 HG3 GLU A 76 1.138 -13.707 0.885 1.00 0.00 H new ATOM 1141 N ILE A 77 -2.465 -9.993 1.317 1.00 0.00 N ATOM 1142 CA ILE A 77 -3.435 -9.249 2.116 1.00 0.00 C ATOM 1143 C ILE A 77 -4.545 -8.692 1.226 1.00 0.00 C ATOM 1144 O ILE A 77 -5.724 -8.736 1.577 1.00 0.00 O ATOM 1145 CB ILE A 77 -2.769 -8.081 2.872 1.00 0.00 C ATOM 1146 CG1 ILE A 77 -1.526 -8.566 3.615 1.00 0.00 C ATOM 1147 CG2 ILE A 77 -3.754 -7.441 3.839 1.00 0.00 C ATOM 1148 CD1 ILE A 77 -0.595 -7.448 4.032 1.00 0.00 C ATOM 0 H ILE A 77 -1.561 -9.531 1.218 1.00 0.00 H new ATOM 0 HA ILE A 77 -3.855 -9.945 2.843 1.00 0.00 H new ATOM 0 HB ILE A 77 -2.464 -7.328 2.145 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -1.836 -9.119 4.502 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -0.981 -9.263 2.978 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -3.267 -6.619 4.364 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -4.612 -7.060 3.285 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -4.089 -8.185 4.562 1.00 0.00 H new ATOM 0 HD11 ILE A 77 0.265 -7.867 4.554 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -0.256 -6.908 3.148 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -1.123 -6.763 4.695 1.00 0.00 H new ATOM 1160 N VAL A 78 -4.151 -8.175 0.069 1.00 0.00 N ATOM 1161 CA VAL A 78 -5.091 -7.609 -0.893 1.00 0.00 C ATOM 1162 C VAL A 78 -6.033 -8.691 -1.423 1.00 0.00 C ATOM 1163 O VAL A 78 -7.198 -8.430 -1.724 1.00 0.00 O ATOM 1164 CB VAL A 78 -4.331 -6.925 -2.055 1.00 0.00 C ATOM 1165 CG1 VAL A 78 -5.264 -6.519 -3.187 1.00 0.00 C ATOM 1166 CG2 VAL A 78 -3.576 -5.712 -1.534 1.00 0.00 C ATOM 0 H VAL A 78 -3.176 -8.136 -0.229 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.691 -6.853 -0.386 1.00 0.00 H new ATOM 0 HB VAL A 78 -3.625 -7.649 -2.462 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.688 -6.043 -3.980 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -5.763 -7.404 -3.582 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -6.010 -5.819 -2.810 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -3.043 -5.235 -2.356 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.281 -5.004 -1.099 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -2.862 -6.027 -0.773 1.00 0.00 H new ATOM 1176 N SER A 79 -5.531 -9.916 -1.497 1.00 0.00 N ATOM 1177 CA SER A 79 -6.321 -11.040 -1.973 1.00 0.00 C ATOM 1178 C SER A 79 -7.018 -11.739 -0.805 1.00 0.00 C ATOM 1179 O SER A 79 -7.444 -12.890 -0.916 1.00 0.00 O ATOM 1180 CB SER A 79 -5.432 -12.031 -2.726 1.00 0.00 C ATOM 1181 OG SER A 79 -4.657 -11.375 -3.716 1.00 0.00 O ATOM 0 H SER A 79 -4.576 -10.156 -1.232 1.00 0.00 H new ATOM 0 HA SER A 79 -7.083 -10.662 -2.655 1.00 0.00 H new ATOM 0 HB2 SER A 79 -4.773 -12.540 -2.022 1.00 0.00 H new ATOM 0 HB3 SER A 79 -6.051 -12.797 -3.193 1.00 0.00 H new ATOM 0 HG SER A 79 -3.779 -11.147 -3.346 1.00 0.00 H new ATOM 1187 N GLN A 80 -7.132 -11.032 0.312 1.00 0.00 N ATOM 1188 CA GLN A 80 -7.775 -11.572 1.499 1.00 0.00 C ATOM 1189 C GLN A 80 -9.033 -10.778 1.820 1.00 0.00 C ATOM 1190 O GLN A 80 -9.172 -9.625 1.405 1.00 0.00 O ATOM 1191 CB GLN A 80 -6.812 -11.540 2.688 1.00 0.00 C ATOM 1192 CG GLN A 80 -6.870 -12.790 3.552 1.00 0.00 C ATOM 1193 CD GLN A 80 -6.417 -14.040 2.817 1.00 0.00 C ATOM 1194 OE1 GLN A 80 -6.929 -15.133 3.059 1.00 0.00 O ATOM 1195 NE2 GLN A 80 -5.444 -13.892 1.930 1.00 0.00 N ATOM 0 H GLN A 80 -6.785 -10.079 0.419 1.00 0.00 H new ATOM 0 HA GLN A 80 -8.053 -12.608 1.305 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -5.795 -11.411 2.318 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -7.039 -10.671 3.305 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -6.244 -12.646 4.433 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -7.891 -12.933 3.906 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -5.046 -12.968 1.759 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -5.093 -14.702 1.419 1.00 0.00 H new ATOM 1204 N THR A 81 -9.951 -11.392 2.548 1.00 0.00 N ATOM 1205 CA THR A 81 -11.194 -10.738 2.911 1.00 0.00 C ATOM 1206 C THR A 81 -11.105 -10.117 4.301 1.00 0.00 C ATOM 1207 O THR A 81 -10.832 -10.806 5.288 1.00 0.00 O ATOM 1208 CB THR A 81 -12.362 -11.736 2.871 1.00 0.00 C ATOM 1209 OG1 THR A 81 -11.855 -13.072 2.719 1.00 0.00 O ATOM 1210 CG2 THR A 81 -13.316 -11.416 1.725 1.00 0.00 C ATOM 0 H THR A 81 -9.857 -12.345 2.899 1.00 0.00 H new ATOM 0 HA THR A 81 -11.372 -9.945 2.184 1.00 0.00 H new ATOM 0 HB THR A 81 -12.912 -11.656 3.809 1.00 0.00 H new ATOM 0 HG1 THR A 81 -12.603 -13.705 2.696 1.00 0.00 H new ATOM 0 HG21 THR A 81 -14.133 -12.137 1.720 1.00 0.00 H new ATOM 0 HG22 THR A 81 -13.719 -10.412 1.857 1.00 0.00 H new ATOM 0 HG23 THR A 81 -12.778 -11.470 0.778 1.00 0.00 H new ATOM 1218 N GLY A 82 -11.331 -8.814 4.372 1.00 0.00 N ATOM 1219 CA GLY A 82 -11.276 -8.112 5.637 1.00 0.00 C ATOM 1220 C GLY A 82 -10.858 -6.664 5.470 1.00 0.00 C ATOM 1221 O GLY A 82 -10.610 -6.220 4.350 1.00 0.00 O ATOM 0 H GLY A 82 -11.553 -8.226 3.569 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -12.254 -8.153 6.116 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -10.574 -8.617 6.301 1.00 0.00 H new ATOM 1225 N PRO A 83 -10.775 -5.904 6.570 1.00 0.00 N ATOM 1226 CA PRO A 83 -10.378 -4.500 6.541 1.00 0.00 C ATOM 1227 C PRO A 83 -8.869 -4.338 6.385 1.00 0.00 C ATOM 1228 O PRO A 83 -8.090 -4.830 7.206 1.00 0.00 O ATOM 1229 CB PRO A 83 -10.831 -3.955 7.907 1.00 0.00 C ATOM 1230 CG PRO A 83 -11.542 -5.082 8.590 1.00 0.00 C ATOM 1231 CD PRO A 83 -11.066 -6.344 7.934 1.00 0.00 C ATOM 0 HA PRO A 83 -10.822 -3.973 5.696 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -9.977 -3.620 8.495 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -11.490 -3.096 7.784 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -11.320 -5.091 9.657 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -12.622 -4.976 8.491 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -10.182 -6.749 8.427 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -11.827 -7.124 7.955 1.00 0.00 H new ATOM 1239 N ILE A 84 -8.462 -3.656 5.328 1.00 0.00 N ATOM 1240 CA ILE A 84 -7.047 -3.425 5.062 1.00 0.00 C ATOM 1241 C ILE A 84 -6.647 -2.005 5.462 1.00 0.00 C ATOM 1242 O ILE A 84 -7.180 -1.027 4.935 1.00 0.00 O ATOM 1243 CB ILE A 84 -6.711 -3.654 3.570 1.00 0.00 C ATOM 1244 CG1 ILE A 84 -7.142 -5.061 3.135 1.00 0.00 C ATOM 1245 CG2 ILE A 84 -5.221 -3.452 3.319 1.00 0.00 C ATOM 1246 CD1 ILE A 84 -7.024 -5.302 1.643 1.00 0.00 C ATOM 0 H ILE A 84 -9.092 -3.250 4.636 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.482 -4.140 5.660 1.00 0.00 H new ATOM 0 HB ILE A 84 -7.261 -2.924 2.977 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -6.534 -5.796 3.662 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -8.176 -5.225 3.440 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -5.004 -3.617 2.264 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -4.941 -2.435 3.592 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -4.651 -4.159 3.922 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -7.346 -6.317 1.412 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -7.654 -4.591 1.109 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -5.987 -5.171 1.334 1.00 0.00 H new ATOM 1258 N SER A 85 -5.720 -1.901 6.403 1.00 0.00 N ATOM 1259 CA SER A 85 -5.247 -0.609 6.876 1.00 0.00 C ATOM 1260 C SER A 85 -3.909 -0.256 6.229 1.00 0.00 C ATOM 1261 O SER A 85 -2.982 -1.069 6.216 1.00 0.00 O ATOM 1262 CB SER A 85 -5.121 -0.631 8.401 1.00 0.00 C ATOM 1263 OG SER A 85 -6.216 -1.321 8.985 1.00 0.00 O ATOM 0 H SER A 85 -5.279 -2.701 6.856 1.00 0.00 H new ATOM 0 HA SER A 85 -5.969 0.157 6.593 1.00 0.00 H new ATOM 0 HB2 SER A 85 -4.186 -1.114 8.687 1.00 0.00 H new ATOM 0 HB3 SER A 85 -5.082 0.389 8.782 1.00 0.00 H new ATOM 0 HG SER A 85 -6.078 -2.287 8.897 1.00 0.00 H new ATOM 1269 N LEU A 86 -3.823 0.949 5.682 1.00 0.00 N ATOM 1270 CA LEU A 86 -2.609 1.408 5.027 1.00 0.00 C ATOM 1271 C LEU A 86 -1.942 2.525 5.821 1.00 0.00 C ATOM 1272 O LEU A 86 -2.566 3.543 6.122 1.00 0.00 O ATOM 1273 CB LEU A 86 -2.913 1.921 3.615 1.00 0.00 C ATOM 1274 CG LEU A 86 -3.562 0.916 2.662 1.00 0.00 C ATOM 1275 CD1 LEU A 86 -3.701 1.522 1.276 1.00 0.00 C ATOM 1276 CD2 LEU A 86 -2.757 -0.370 2.593 1.00 0.00 C ATOM 0 H LEU A 86 -4.584 1.628 5.680 1.00 0.00 H new ATOM 0 HA LEU A 86 -1.933 0.555 4.970 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -3.568 2.788 3.698 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -1.981 2.267 3.167 1.00 0.00 H new ATOM 0 HG LEU A 86 -4.553 0.676 3.047 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -4.164 0.797 0.607 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -4.323 2.415 1.330 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -2.715 1.789 0.895 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -3.241 -1.066 1.908 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -1.751 -0.151 2.236 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -2.700 -0.817 3.585 1.00 0.00 H new ATOM 1288 N THR A 87 -0.682 2.321 6.162 1.00 0.00 N ATOM 1289 CA THR A 87 0.087 3.318 6.885 1.00 0.00 C ATOM 1290 C THR A 87 1.072 3.981 5.927 1.00 0.00 C ATOM 1291 O THR A 87 2.115 3.409 5.602 1.00 0.00 O ATOM 1292 CB THR A 87 0.848 2.688 8.067 1.00 0.00 C ATOM 1293 OG1 THR A 87 0.070 1.623 8.638 1.00 0.00 O ATOM 1294 CG2 THR A 87 1.147 3.725 9.134 1.00 0.00 C ATOM 0 H THR A 87 -0.167 1.467 5.948 1.00 0.00 H new ATOM 0 HA THR A 87 -0.600 4.062 7.289 1.00 0.00 H new ATOM 0 HB THR A 87 1.792 2.293 7.692 1.00 0.00 H new ATOM 0 HG1 THR A 87 0.188 0.809 8.105 1.00 0.00 H new ATOM 0 HG21 THR A 87 1.685 3.255 9.958 1.00 0.00 H new ATOM 0 HG22 THR A 87 1.759 4.520 8.708 1.00 0.00 H new ATOM 0 HG23 THR A 87 0.212 4.146 9.504 1.00 0.00 H new ATOM 1302 N VAL A 88 0.728 5.172 5.459 1.00 0.00 N ATOM 1303 CA VAL A 88 1.562 5.887 4.504 1.00 0.00 C ATOM 1304 C VAL A 88 2.386 6.990 5.158 1.00 0.00 C ATOM 1305 O VAL A 88 1.973 7.596 6.146 1.00 0.00 O ATOM 1306 CB VAL A 88 0.718 6.510 3.372 1.00 0.00 C ATOM 1307 CG1 VAL A 88 0.193 5.433 2.437 1.00 0.00 C ATOM 1308 CG2 VAL A 88 -0.431 7.340 3.935 1.00 0.00 C ATOM 0 H VAL A 88 -0.125 5.664 5.726 1.00 0.00 H new ATOM 0 HA VAL A 88 2.241 5.141 4.092 1.00 0.00 H new ATOM 0 HB VAL A 88 1.365 7.176 2.801 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -0.399 5.894 1.647 1.00 0.00 H new ATOM 0 HG12 VAL A 88 1.031 4.895 1.995 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -0.430 4.737 2.998 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -1.008 7.766 3.114 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -1.077 6.704 4.541 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -0.031 8.144 4.553 1.00 0.00 H new ATOM 1318 N ALA A 89 3.551 7.238 4.585 1.00 0.00 N ATOM 1319 CA ALA A 89 4.449 8.273 5.060 1.00 0.00 C ATOM 1320 C ALA A 89 4.533 9.383 4.025 1.00 0.00 C ATOM 1321 O ALA A 89 5.119 9.204 2.955 1.00 0.00 O ATOM 1322 CB ALA A 89 5.828 7.696 5.339 1.00 0.00 C ATOM 0 H ALA A 89 3.900 6.725 3.775 1.00 0.00 H new ATOM 0 HA ALA A 89 4.061 8.683 5.993 1.00 0.00 H new ATOM 0 HB1 ALA A 89 6.488 8.487 5.694 1.00 0.00 H new ATOM 0 HB2 ALA A 89 5.750 6.919 6.100 1.00 0.00 H new ATOM 0 HB3 ALA A 89 6.235 7.268 4.423 1.00 0.00 H new ATOM 1328 N LYS A 90 3.927 10.513 4.334 1.00 0.00 N ATOM 1329 CA LYS A 90 3.919 11.653 3.434 1.00 0.00 C ATOM 1330 C LYS A 90 5.033 12.618 3.799 1.00 0.00 C ATOM 1331 O LYS A 90 5.210 12.882 5.009 1.00 0.00 O ATOM 1332 CB LYS A 90 2.569 12.366 3.505 1.00 0.00 C ATOM 1333 CG LYS A 90 1.377 11.418 3.493 1.00 0.00 C ATOM 1334 CD LYS A 90 0.062 12.155 3.690 1.00 0.00 C ATOM 1335 CE LYS A 90 -0.312 12.973 2.467 1.00 0.00 C ATOM 1336 NZ LYS A 90 -0.636 12.110 1.302 1.00 0.00 N ATOM 1337 OXT LYS A 90 5.721 13.120 2.884 1.00 0.00 O ATOM 0 H LYS A 90 3.429 10.668 5.210 1.00 0.00 H new ATOM 0 HA LYS A 90 4.081 11.297 2.417 1.00 0.00 H new ATOM 0 HB2 LYS A 90 2.534 12.969 4.412 1.00 0.00 H new ATOM 0 HB3 LYS A 90 2.485 13.052 2.662 1.00 0.00 H new ATOM 0 HG2 LYS A 90 1.352 10.879 2.546 1.00 0.00 H new ATOM 0 HG3 LYS A 90 1.497 10.674 4.281 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -0.729 11.436 3.903 1.00 0.00 H new ATOM 0 HD3 LYS A 90 0.139 12.811 4.557 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -1.169 13.604 2.701 1.00 0.00 H new ATOM 0 HE3 LYS A 90 0.512 13.638 2.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -1.183 12.657 0.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 0.245 11.774 0.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -1.197 11.294 1.620 1.00 0.00 H new TER 1351 LYS A 90 HETATM 1352 C20 SUZ A 91 3.042 -3.930 -8.453 1.00 20.00 C HETATM 1353 C19 SUZ A 91 2.044 -2.974 -8.575 1.00 20.00 C HETATM 1354 C5 SUZ A 91 1.015 -3.130 -9.559 1.00 20.00 C HETATM 1355 C6 SUZ A 91 -0.307 -2.413 -9.357 1.00 20.00 C HETATM 1356 C7 SUZ A 91 -1.201 -2.714 -8.229 1.00 20.00 C HETATM 1357 C18 SUZ A 91 -0.892 -3.790 -7.156 1.00 20.00 C HETATM 1358 C17 SUZ A 91 0.115 -4.765 -6.949 1.00 20.00 C HETATM 1359 C16 SUZ A 91 0.053 -5.550 -5.853 1.00 20.00 C HETATM 1360 C15 SUZ A 91 -0.989 -5.423 -4.932 1.00 20.00 C HETATM 1361 F SUZ A 91 -1.022 -6.221 -3.852 1.00 20.00 F HETATM 1362 C14 SUZ A 91 -1.985 -4.475 -5.115 1.00 20.00 C HETATM 1363 C13 SUZ A 91 -1.929 -3.673 -6.220 1.00 20.00 C HETATM 1364 C10 SUZ A 91 -2.855 -2.560 -6.696 1.00 20.00 C HETATM 1365 C11 SUZ A 91 -4.051 -2.141 -5.789 1.00 20.00 C HETATM 1366 C12 SUZ A 91 -5.387 -2.298 -6.498 1.00 20.00 C HETATM 1367 O3 SUZ A 91 -5.611 -1.587 -7.588 1.00 20.00 O HETATM 1368 O2 SUZ A 91 -6.269 -3.062 -6.071 1.00 20.00 O HETATM 1369 C8 SUZ A 91 -2.458 -1.997 -7.864 1.00 20.00 C HETATM 1370 C9 SUZ A 91 -3.135 -0.904 -8.597 1.00 20.00 C HETATM 1371 C4 SUZ A 91 1.033 -4.240 -10.390 1.00 20.00 C HETATM 1372 C3 SUZ A 91 2.059 -5.220 -10.266 1.00 20.00 C HETATM 1373 C2 SUZ A 91 3.052 -5.069 -9.306 1.00 20.00 C HETATM 1374 S SUZ A 91 4.327 -6.237 -9.115 1.00 20.00 S HETATM 1375 O1 SUZ A 91 3.975 -7.292 -8.206 1.00 20.00 O HETATM 1376 C1 SUZ A 91 5.602 -5.268 -8.367 1.00 20.00 C HETATM 0 H11A SUZ A 91 -4.048 -2.747 -4.883 1.00 20.00 H new HETATM 0 H9B SUZ A 91 -2.462 -0.051 -8.682 1.00 20.00 H new HETATM 0 H9A SUZ A 91 -3.410 -1.250 -9.593 1.00 20.00 H new HETATM 0 H9 SUZ A 91 -4.033 -0.605 -8.056 1.00 20.00 H new HETATM 0 H6 SUZ A 91 -0.605 -1.648 -10.074 1.00 20.00 H new HETATM 0 H4 SUZ A 91 0.256 -4.363 -11.144 1.00 20.00 H new HETATM 0 H3 SUZ A 91 2.065 -6.089 -10.924 1.00 20.00 H new HETATM 0 H20 SUZ A 91 3.821 -3.808 -7.701 1.00 20.00 H new HETATM 0 H1B SUZ A 91 6.539 -5.824 -8.384 1.00 20.00 H new HETATM 0 H1A SUZ A 91 5.723 -4.337 -8.920 1.00 20.00 H new HETATM 0 H19 SUZ A 91 2.043 -2.102 -7.921 1.00 20.00 H new HETATM 0 H17 SUZ A 91 0.929 -4.879 -7.665 1.00 20.00 H new HETATM 0 H16 SUZ A 91 0.830 -6.296 -5.684 1.00 20.00 H new HETATM 0 H14 SUZ A 91 -2.795 -4.372 -4.393 1.00 20.00 H new HETATM 0 H11 SUZ A 91 -3.925 -1.104 -5.479 1.00 20.00 H new HETATM 0 H1 SUZ A 91 5.331 -5.044 -7.335 1.00 20.00 H new