USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=18 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 6 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 1 ASN : amide:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 1 ASN N :NH3+ 171:sc= 1.24 (180deg=1.23) USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.315 USER MOD Single : A 8 ASN : amide:sc= 0.549 K(o=0.55,f=-4.8!) USER MOD Single : A 9 MET CE :methyl -170:sc= 0 (180deg=-0.126) USER MOD Single : A 12 HIS : no HE2:sc= 0.93 K(o=0.93,f=-4.1!) USER MOD Single : A 13 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0.261 USER MOD Single : A 22 GLN : amide:sc= -0.117 X(o=-0.12,f=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -0.465 K(o=-0.46,f=-4.3!) USER MOD Single : A 32 TYR OH : rot -95:sc= 0.258 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl -133:sc= 0 (180deg=-1.02) USER MOD Single : A 56 GLN : amide:sc= -0.555 K(o=-0.56,f=-1.3) USER MOD Single : A 58 ASN : amide:sc= -0.494! C(o=-0.49!,f=-11!) USER MOD Single : A 61 ASN : amide:sc= 0.428 K(o=0.43,f=-3.3!) USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 MET CE :methyl 135:sc= -0.0982 (180deg=-1.14) USER MOD Single : A 66 SER OG : rot 180:sc= 0.183 USER MOD Single : A 67 ASN : amide:sc= 0.346 K(o=0.35,f=-3.8!) USER MOD Single : A 79 SER OG : rot 82:sc= 1.18 USER MOD Single : A 80 GLN : amide:sc= 0.413 K(o=0.41,f=-0.31) USER MOD Single : A 81 THR OG1 : rot 53:sc= 0.0749 USER MOD Single : A 87 THR OG1 : rot 80:sc= 0.34 USER MOD Single : A 90 LYS NZ :NH3+ 165:sc= 0.877! (180deg=0.58!) USER MOD Single : A 91 SUZ C1 :methyl 175:sc= -1.95 (180deg=-2.02) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 4.915 13.220 7.486 1.00 0.00 N ATOM 2 CA ASN A 1 3.647 12.976 8.213 1.00 0.00 C ATOM 3 C ASN A 1 3.123 11.583 7.901 1.00 0.00 C ATOM 4 O ASN A 1 2.956 11.226 6.738 1.00 0.00 O ATOM 5 CB ASN A 1 2.602 14.023 7.825 1.00 0.00 C ATOM 6 CG ASN A 1 1.405 14.015 8.755 1.00 0.00 C ATOM 7 OD1 ASN A 1 0.436 13.289 8.537 1.00 0.00 O ATOM 8 ND2 ASN A 1 1.463 14.827 9.798 1.00 0.00 N ATOM 0 H1 ASN A 1 5.184 14.220 7.583 1.00 0.00 H new ATOM 0 H2 ASN A 1 5.665 12.619 7.885 1.00 0.00 H new ATOM 0 H3 ASN A 1 4.787 12.992 6.479 1.00 0.00 H new ATOM 0 HA ASN A 1 3.841 13.051 9.283 1.00 0.00 H new ATOM 0 HB2 ASN A 1 3.061 15.012 7.836 1.00 0.00 H new ATOM 0 HB3 ASN A 1 2.267 13.838 6.804 1.00 0.00 H new ATOM 0 HD21 ASN A 1 0.686 14.867 10.457 1.00 0.00 H new ATOM 0 HD22 ASN A 1 2.285 15.413 9.943 1.00 0.00 H new ATOM 17 N ILE A 2 2.868 10.796 8.933 1.00 0.00 N ATOM 18 CA ILE A 2 2.377 9.439 8.744 1.00 0.00 C ATOM 19 C ILE A 2 0.886 9.344 9.058 1.00 0.00 C ATOM 20 O ILE A 2 0.438 9.773 10.121 1.00 0.00 O ATOM 21 CB ILE A 2 3.167 8.439 9.618 1.00 0.00 C ATOM 22 CG1 ILE A 2 4.672 8.598 9.368 1.00 0.00 C ATOM 23 CG2 ILE A 2 2.723 7.011 9.329 1.00 0.00 C ATOM 24 CD1 ILE A 2 5.537 7.733 10.256 1.00 0.00 C ATOM 0 H ILE A 2 2.992 11.071 9.907 1.00 0.00 H new ATOM 0 HA ILE A 2 2.526 9.180 7.696 1.00 0.00 H new ATOM 0 HB ILE A 2 2.963 8.652 10.667 1.00 0.00 H new ATOM 0 HG12 ILE A 2 4.884 8.358 8.326 1.00 0.00 H new ATOM 0 HG13 ILE A 2 4.946 9.642 9.517 1.00 0.00 H new ATOM 0 HG21 ILE A 2 3.290 6.320 9.953 1.00 0.00 H new ATOM 0 HG22 ILE A 2 1.660 6.909 9.548 1.00 0.00 H new ATOM 0 HG23 ILE A 2 2.901 6.780 8.279 1.00 0.00 H new ATOM 0 HD11 ILE A 2 6.587 7.903 10.018 1.00 0.00 H new ATOM 0 HD12 ILE A 2 5.356 7.988 11.300 1.00 0.00 H new ATOM 0 HD13 ILE A 2 5.293 6.684 10.091 1.00 0.00 H new ATOM 36 N ILE A 3 0.128 8.786 8.123 1.00 0.00 N ATOM 37 CA ILE A 3 -1.311 8.634 8.291 1.00 0.00 C ATOM 38 C ILE A 3 -1.720 7.166 8.184 1.00 0.00 C ATOM 39 O ILE A 3 -1.377 6.489 7.212 1.00 0.00 O ATOM 40 CB ILE A 3 -2.100 9.446 7.233 1.00 0.00 C ATOM 41 CG1 ILE A 3 -1.669 10.917 7.245 1.00 0.00 C ATOM 42 CG2 ILE A 3 -3.597 9.325 7.480 1.00 0.00 C ATOM 43 CD1 ILE A 3 -2.460 11.795 6.297 1.00 0.00 C ATOM 0 H ILE A 3 0.488 8.430 7.237 1.00 0.00 H new ATOM 0 HA ILE A 3 -1.552 9.014 9.284 1.00 0.00 H new ATOM 0 HB ILE A 3 -1.877 9.035 6.248 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -1.772 11.307 8.258 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -0.612 10.978 6.985 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -4.137 9.901 6.729 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -3.893 8.278 7.417 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -3.834 9.710 8.472 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -2.097 12.821 6.362 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -2.338 11.431 5.277 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -3.515 11.766 6.569 1.00 0.00 H new ATOM 55 N THR A 4 -2.427 6.677 9.192 1.00 0.00 N ATOM 56 CA THR A 4 -2.905 5.302 9.201 1.00 0.00 C ATOM 57 C THR A 4 -4.387 5.273 8.837 1.00 0.00 C ATOM 58 O THR A 4 -5.236 5.692 9.624 1.00 0.00 O ATOM 59 CB THR A 4 -2.696 4.644 10.577 1.00 0.00 C ATOM 60 OG1 THR A 4 -1.367 4.913 11.046 1.00 0.00 O ATOM 61 CG2 THR A 4 -2.915 3.140 10.500 1.00 0.00 C ATOM 0 H THR A 4 -2.684 7.216 10.019 1.00 0.00 H new ATOM 0 HA THR A 4 -2.331 4.738 8.466 1.00 0.00 H new ATOM 0 HB THR A 4 -3.423 5.064 11.272 1.00 0.00 H new ATOM 0 HG1 THR A 4 -1.238 4.494 11.923 1.00 0.00 H new ATOM 0 HG21 THR A 4 -2.761 2.699 11.485 1.00 0.00 H new ATOM 0 HG22 THR A 4 -3.933 2.937 10.166 1.00 0.00 H new ATOM 0 HG23 THR A 4 -2.208 2.705 9.793 1.00 0.00 H new ATOM 69 N VAL A 5 -4.694 4.787 7.645 1.00 0.00 N ATOM 70 CA VAL A 5 -6.074 4.736 7.177 1.00 0.00 C ATOM 71 C VAL A 5 -6.572 3.301 7.050 1.00 0.00 C ATOM 72 O VAL A 5 -5.781 2.365 6.933 1.00 0.00 O ATOM 73 CB VAL A 5 -6.235 5.443 5.806 1.00 0.00 C ATOM 74 CG1 VAL A 5 -5.559 6.808 5.817 1.00 0.00 C ATOM 75 CG2 VAL A 5 -5.681 4.578 4.679 1.00 0.00 C ATOM 0 H VAL A 5 -4.009 4.422 6.983 1.00 0.00 H new ATOM 0 HA VAL A 5 -6.671 5.258 7.925 1.00 0.00 H new ATOM 0 HB VAL A 5 -7.300 5.592 5.628 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -5.685 7.284 4.845 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -6.011 7.432 6.588 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -4.496 6.686 6.026 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -5.806 5.096 3.728 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -4.622 4.388 4.853 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -6.219 3.630 4.649 1.00 0.00 H new ATOM 85 N THR A 6 -7.883 3.143 7.092 1.00 0.00 N ATOM 86 CA THR A 6 -8.507 1.844 6.942 1.00 0.00 C ATOM 87 C THR A 6 -9.374 1.867 5.679 1.00 0.00 C ATOM 88 O THR A 6 -10.002 2.882 5.364 1.00 0.00 O ATOM 89 CB THR A 6 -9.334 1.448 8.195 1.00 0.00 C ATOM 90 OG1 THR A 6 -9.520 0.025 8.238 1.00 0.00 O ATOM 91 CG2 THR A 6 -10.693 2.132 8.217 1.00 0.00 C ATOM 0 H THR A 6 -8.541 3.910 7.231 1.00 0.00 H new ATOM 0 HA THR A 6 -7.733 1.083 6.842 1.00 0.00 H new ATOM 0 HB THR A 6 -8.772 1.777 9.069 1.00 0.00 H new ATOM 0 HG1 THR A 6 -10.041 -0.213 9.033 1.00 0.00 H new ATOM 0 HG21 THR A 6 -11.239 1.828 9.110 1.00 0.00 H new ATOM 0 HG22 THR A 6 -10.556 3.213 8.226 1.00 0.00 H new ATOM 0 HG23 THR A 6 -11.259 1.846 7.330 1.00 0.00 H new ATOM 99 N LEU A 7 -9.375 0.777 4.934 1.00 0.00 N ATOM 100 CA LEU A 7 -10.136 0.709 3.698 1.00 0.00 C ATOM 101 C LEU A 7 -11.251 -0.319 3.779 1.00 0.00 C ATOM 102 O LEU A 7 -11.057 -1.428 4.283 1.00 0.00 O ATOM 103 CB LEU A 7 -9.207 0.369 2.535 1.00 0.00 C ATOM 104 CG LEU A 7 -7.919 1.193 2.467 1.00 0.00 C ATOM 105 CD1 LEU A 7 -7.011 0.660 1.376 1.00 0.00 C ATOM 106 CD2 LEU A 7 -8.225 2.662 2.221 1.00 0.00 C ATOM 0 H LEU A 7 -8.859 -0.073 5.162 1.00 0.00 H new ATOM 0 HA LEU A 7 -10.592 1.686 3.535 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -8.941 -0.686 2.600 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -9.755 0.503 1.602 1.00 0.00 H new ATOM 0 HG LEU A 7 -7.410 1.106 3.427 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -6.099 1.255 1.339 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -6.758 -0.379 1.588 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -7.523 0.720 0.415 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -7.293 3.225 2.177 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -8.759 2.769 1.277 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -8.843 3.046 3.033 1.00 0.00 H new ATOM 118 N ASN A 8 -12.420 0.067 3.286 1.00 0.00 N ATOM 119 CA ASN A 8 -13.580 -0.811 3.272 1.00 0.00 C ATOM 120 C ASN A 8 -13.559 -1.659 2.009 1.00 0.00 C ATOM 121 O ASN A 8 -13.724 -1.142 0.901 1.00 0.00 O ATOM 122 CB ASN A 8 -14.876 0.006 3.327 1.00 0.00 C ATOM 123 CG ASN A 8 -16.119 -0.857 3.199 1.00 0.00 C ATOM 124 OD1 ASN A 8 -16.560 -1.177 2.092 1.00 0.00 O ATOM 125 ND2 ASN A 8 -16.688 -1.243 4.327 1.00 0.00 N ATOM 0 H ASN A 8 -12.590 0.991 2.888 1.00 0.00 H new ATOM 0 HA ASN A 8 -13.542 -1.458 4.148 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -14.915 0.555 4.268 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -14.868 0.746 2.527 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -17.524 -1.828 4.303 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -16.292 -0.957 5.222 1.00 0.00 H new ATOM 132 N MET A 9 -13.355 -2.953 2.173 1.00 0.00 N ATOM 133 CA MET A 9 -13.300 -3.864 1.037 1.00 0.00 C ATOM 134 C MET A 9 -14.631 -4.571 0.841 1.00 0.00 C ATOM 135 O MET A 9 -14.733 -5.525 0.069 1.00 0.00 O ATOM 136 CB MET A 9 -12.177 -4.888 1.227 1.00 0.00 C ATOM 137 CG MET A 9 -10.792 -4.266 1.194 1.00 0.00 C ATOM 138 SD MET A 9 -10.503 -3.301 -0.304 1.00 0.00 S ATOM 139 CE MET A 9 -10.463 -4.596 -1.543 1.00 0.00 C ATOM 0 H MET A 9 -13.224 -3.400 3.080 1.00 0.00 H new ATOM 0 HA MET A 9 -13.092 -3.277 0.143 1.00 0.00 H new ATOM 0 HB2 MET A 9 -12.317 -5.399 2.180 1.00 0.00 H new ATOM 0 HB3 MET A 9 -12.248 -5.645 0.446 1.00 0.00 H new ATOM 0 HG2 MET A 9 -10.665 -3.624 2.066 1.00 0.00 H new ATOM 0 HG3 MET A 9 -10.042 -5.054 1.265 1.00 0.00 H new ATOM 0 HE1 MET A 9 -10.118 -4.182 -2.491 1.00 0.00 H new ATOM 0 HE2 MET A 9 -9.783 -5.385 -1.223 1.00 0.00 H new ATOM 0 HE3 MET A 9 -11.464 -5.009 -1.670 1.00 0.00 H new ATOM 149 N GLU A 10 -15.653 -4.100 1.540 1.00 0.00 N ATOM 150 CA GLU A 10 -16.978 -4.692 1.435 1.00 0.00 C ATOM 151 C GLU A 10 -17.693 -4.143 0.207 1.00 0.00 C ATOM 152 O GLU A 10 -18.250 -4.894 -0.591 1.00 0.00 O ATOM 153 CB GLU A 10 -17.805 -4.410 2.694 1.00 0.00 C ATOM 154 CG GLU A 10 -17.024 -4.548 3.995 1.00 0.00 C ATOM 155 CD GLU A 10 -16.285 -5.866 4.100 1.00 0.00 C ATOM 156 OE1 GLU A 10 -16.926 -6.896 4.391 1.00 0.00 O ATOM 157 OE2 GLU A 10 -15.059 -5.874 3.896 1.00 0.00 O ATOM 0 H GLU A 10 -15.591 -3.312 2.184 1.00 0.00 H new ATOM 0 HA GLU A 10 -16.866 -5.772 1.336 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -18.210 -3.400 2.631 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -18.654 -5.093 2.718 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -16.309 -3.729 4.073 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -17.710 -4.453 4.837 1.00 0.00 H new ATOM 164 N ARG A 11 -17.656 -2.828 0.053 1.00 0.00 N ATOM 165 CA ARG A 11 -18.302 -2.172 -1.077 1.00 0.00 C ATOM 166 C ARG A 11 -17.336 -2.034 -2.250 1.00 0.00 C ATOM 167 O ARG A 11 -17.745 -1.784 -3.384 1.00 0.00 O ATOM 168 CB ARG A 11 -18.815 -0.792 -0.657 1.00 0.00 C ATOM 169 CG ARG A 11 -19.688 -0.118 -1.702 1.00 0.00 C ATOM 170 CD ARG A 11 -20.005 1.317 -1.318 1.00 0.00 C ATOM 171 NE ARG A 11 -20.582 2.066 -2.433 1.00 0.00 N ATOM 172 CZ ARG A 11 -20.589 3.396 -2.506 1.00 0.00 C ATOM 173 NH1 ARG A 11 -20.065 4.118 -1.524 1.00 0.00 N ATOM 174 NH2 ARG A 11 -21.128 4.001 -3.559 1.00 0.00 N ATOM 0 H ARG A 11 -17.185 -2.192 0.697 1.00 0.00 H new ATOM 0 HA ARG A 11 -19.144 -2.787 -1.396 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -19.383 -0.892 0.268 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -17.963 -0.149 -0.439 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -19.181 -0.134 -2.667 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -20.616 -0.678 -1.819 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -20.700 1.323 -0.479 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -19.094 1.812 -0.981 1.00 0.00 H new ATOM 0 HE ARG A 11 -21.003 1.540 -3.199 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -19.656 3.655 -0.712 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -20.071 5.136 -1.581 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -21.537 3.447 -4.312 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -21.133 5.019 -3.615 1.00 0.00 H new ATOM 188 N HIS A 12 -16.051 -2.201 -1.976 1.00 0.00 N ATOM 189 CA HIS A 12 -15.033 -2.078 -3.011 1.00 0.00 C ATOM 190 C HIS A 12 -14.528 -3.453 -3.419 1.00 0.00 C ATOM 191 O HIS A 12 -14.797 -4.444 -2.743 1.00 0.00 O ATOM 192 CB HIS A 12 -13.865 -1.217 -2.522 1.00 0.00 C ATOM 193 CG HIS A 12 -14.237 0.204 -2.247 1.00 0.00 C ATOM 194 ND1 HIS A 12 -14.242 0.751 -0.983 1.00 0.00 N ATOM 195 CD2 HIS A 12 -14.612 1.195 -3.084 1.00 0.00 C ATOM 196 CE1 HIS A 12 -14.609 2.015 -1.054 1.00 0.00 C ATOM 197 NE2 HIS A 12 -14.837 2.311 -2.322 1.00 0.00 N ATOM 0 H HIS A 12 -15.688 -2.421 -1.049 1.00 0.00 H new ATOM 0 HA HIS A 12 -15.484 -1.593 -3.877 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -13.456 -1.658 -1.613 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -13.073 -1.237 -3.270 1.00 0.00 H new ATOM 0 HD1 HIS A 12 -13.999 0.255 -0.125 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -14.715 1.121 -4.157 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -14.707 2.693 -0.219 1.00 0.00 H new ATOM 206 N HIS A 13 -13.807 -3.510 -4.527 1.00 0.00 N ATOM 207 CA HIS A 13 -13.262 -4.768 -5.021 1.00 0.00 C ATOM 208 C HIS A 13 -11.749 -4.672 -5.192 1.00 0.00 C ATOM 209 O HIS A 13 -11.067 -5.683 -5.334 1.00 0.00 O ATOM 210 CB HIS A 13 -13.918 -5.161 -6.349 1.00 0.00 C ATOM 211 CG HIS A 13 -15.370 -5.519 -6.225 1.00 0.00 C ATOM 212 ND1 HIS A 13 -15.811 -6.724 -5.727 1.00 0.00 N ATOM 213 CD2 HIS A 13 -16.481 -4.816 -6.534 1.00 0.00 C ATOM 214 CE1 HIS A 13 -17.130 -6.747 -5.735 1.00 0.00 C ATOM 215 NE2 HIS A 13 -17.563 -5.599 -6.221 1.00 0.00 N ATOM 0 H HIS A 13 -13.584 -2.699 -5.104 1.00 0.00 H new ATOM 0 HA HIS A 13 -13.481 -5.540 -4.283 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -13.816 -4.335 -7.052 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -13.379 -6.009 -6.773 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -16.512 -3.820 -6.951 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -17.750 -7.566 -5.401 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -18.541 -5.337 -6.344 1.00 0.00 H new ATOM 224 N PHE A 14 -11.229 -3.448 -5.184 1.00 0.00 N ATOM 225 CA PHE A 14 -9.796 -3.224 -5.327 1.00 0.00 C ATOM 226 C PHE A 14 -9.391 -1.940 -4.609 1.00 0.00 C ATOM 227 O PHE A 14 -10.248 -1.141 -4.220 1.00 0.00 O ATOM 228 CB PHE A 14 -9.386 -3.178 -6.807 1.00 0.00 C ATOM 229 CG PHE A 14 -10.164 -2.203 -7.650 1.00 0.00 C ATOM 230 CD1 PHE A 14 -11.338 -2.591 -8.273 1.00 0.00 C ATOM 231 CD2 PHE A 14 -9.708 -0.908 -7.834 1.00 0.00 C ATOM 232 CE1 PHE A 14 -12.046 -1.705 -9.060 1.00 0.00 C ATOM 233 CE2 PHE A 14 -10.409 -0.017 -8.623 1.00 0.00 C ATOM 234 CZ PHE A 14 -11.581 -0.415 -9.237 1.00 0.00 C ATOM 0 H PHE A 14 -11.780 -2.596 -5.080 1.00 0.00 H new ATOM 0 HA PHE A 14 -9.270 -4.061 -4.867 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -8.328 -2.925 -6.868 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -9.500 -4.175 -7.232 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -11.704 -3.599 -8.142 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -8.793 -0.591 -7.355 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -12.963 -2.019 -9.537 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -10.042 0.989 -8.760 1.00 0.00 H new ATOM 0 HZ PHE A 14 -12.132 0.280 -9.853 1.00 0.00 H new ATOM 244 N LEU A 15 -8.093 -1.744 -4.424 1.00 0.00 N ATOM 245 CA LEU A 15 -7.596 -0.557 -3.743 1.00 0.00 C ATOM 246 C LEU A 15 -7.424 0.593 -4.719 1.00 0.00 C ATOM 247 O LEU A 15 -7.723 1.744 -4.396 1.00 0.00 O ATOM 248 CB LEU A 15 -6.263 -0.844 -3.045 1.00 0.00 C ATOM 249 CG LEU A 15 -6.265 -2.029 -2.077 1.00 0.00 C ATOM 250 CD1 LEU A 15 -4.945 -2.103 -1.326 1.00 0.00 C ATOM 251 CD2 LEU A 15 -7.428 -1.925 -1.100 1.00 0.00 C ATOM 0 H LEU A 15 -7.367 -2.390 -4.735 1.00 0.00 H new ATOM 0 HA LEU A 15 -8.333 -0.276 -2.991 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -5.505 -1.022 -3.808 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.960 0.049 -2.498 1.00 0.00 H new ATOM 0 HG LEU A 15 -6.387 -2.944 -2.657 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -4.963 -2.951 -0.642 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.128 -2.228 -2.037 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -4.796 -1.183 -0.760 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -7.410 -2.778 -0.421 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -7.340 -1.002 -0.526 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -8.368 -1.920 -1.652 1.00 0.00 H new ATOM 263 N GLY A 16 -6.963 0.270 -5.917 1.00 0.00 N ATOM 264 CA GLY A 16 -6.744 1.278 -6.925 1.00 0.00 C ATOM 265 C GLY A 16 -5.509 2.110 -6.640 1.00 0.00 C ATOM 266 O GLY A 16 -5.582 3.333 -6.618 1.00 0.00 O ATOM 0 H GLY A 16 -6.736 -0.681 -6.208 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -6.642 0.800 -7.899 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -7.615 1.930 -6.980 1.00 0.00 H new ATOM 270 N ILE A 17 -4.376 1.449 -6.424 1.00 0.00 N ATOM 271 CA ILE A 17 -3.114 2.148 -6.131 1.00 0.00 C ATOM 272 C ILE A 17 -1.922 1.302 -6.537 1.00 0.00 C ATOM 273 O ILE A 17 -1.612 0.309 -5.881 1.00 0.00 O ATOM 274 CB ILE A 17 -2.954 2.493 -4.635 1.00 0.00 C ATOM 275 CG1 ILE A 17 -3.643 1.445 -3.756 1.00 0.00 C ATOM 276 CG2 ILE A 17 -3.488 3.884 -4.344 1.00 0.00 C ATOM 277 CD1 ILE A 17 -2.960 1.230 -2.422 1.00 0.00 C ATOM 0 H ILE A 17 -4.298 0.432 -6.445 1.00 0.00 H new ATOM 0 HA ILE A 17 -3.151 3.073 -6.706 1.00 0.00 H new ATOM 0 HB ILE A 17 -1.891 2.483 -4.396 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -4.675 1.751 -3.582 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -3.678 0.498 -4.294 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -3.365 4.106 -3.284 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -2.937 4.616 -4.935 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -4.546 3.930 -4.604 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -3.502 0.475 -1.853 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.936 0.894 -2.587 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -2.949 2.166 -1.864 1.00 0.00 H new ATOM 289 N SER A 18 -1.258 1.681 -7.615 1.00 0.00 N ATOM 290 CA SER A 18 -0.114 0.920 -8.082 1.00 0.00 C ATOM 291 C SER A 18 1.078 1.130 -7.158 1.00 0.00 C ATOM 292 O SER A 18 1.421 2.260 -6.809 1.00 0.00 O ATOM 293 CB SER A 18 0.222 1.285 -9.531 1.00 0.00 C ATOM 294 OG SER A 18 0.716 2.612 -9.633 1.00 0.00 O ATOM 0 H SER A 18 -1.488 2.501 -8.177 1.00 0.00 H new ATOM 0 HA SER A 18 -0.366 -0.140 -8.061 1.00 0.00 H new ATOM 0 HB2 SER A 18 0.965 0.588 -9.920 1.00 0.00 H new ATOM 0 HB3 SER A 18 -0.669 1.179 -10.150 1.00 0.00 H new ATOM 0 HG SER A 18 0.922 2.813 -10.570 1.00 0.00 H new ATOM 300 N ILE A 19 1.688 0.036 -6.736 1.00 0.00 N ATOM 301 CA ILE A 19 2.828 0.101 -5.837 1.00 0.00 C ATOM 302 C ILE A 19 4.132 0.175 -6.621 1.00 0.00 C ATOM 303 O ILE A 19 4.407 -0.680 -7.464 1.00 0.00 O ATOM 304 CB ILE A 19 2.871 -1.125 -4.898 1.00 0.00 C ATOM 305 CG1 ILE A 19 1.462 -1.485 -4.404 1.00 0.00 C ATOM 306 CG2 ILE A 19 3.797 -0.860 -3.723 1.00 0.00 C ATOM 307 CD1 ILE A 19 0.761 -0.355 -3.675 1.00 0.00 C ATOM 0 H ILE A 19 1.413 -0.910 -7.002 1.00 0.00 H new ATOM 0 HA ILE A 19 2.714 1.004 -5.236 1.00 0.00 H new ATOM 0 HB ILE A 19 3.259 -1.973 -5.461 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.854 -1.787 -5.257 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.529 -2.347 -3.740 1.00 0.00 H new ATOM 0 HG21 ILE A 19 3.816 -1.733 -3.071 1.00 0.00 H new ATOM 0 HG22 ILE A 19 4.803 -0.659 -4.091 1.00 0.00 H new ATOM 0 HG23 ILE A 19 3.437 0.003 -3.163 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.228 -0.685 -3.357 1.00 0.00 H new ATOM 0 HD12 ILE A 19 1.346 -0.067 -2.801 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.660 0.501 -4.342 1.00 0.00 H new ATOM 319 N VAL A 20 4.922 1.205 -6.350 1.00 0.00 N ATOM 320 CA VAL A 20 6.196 1.394 -7.020 1.00 0.00 C ATOM 321 C VAL A 20 7.346 1.182 -6.042 1.00 0.00 C ATOM 322 O VAL A 20 7.387 1.794 -4.974 1.00 0.00 O ATOM 323 CB VAL A 20 6.305 2.808 -7.637 1.00 0.00 C ATOM 324 CG1 VAL A 20 7.687 3.034 -8.231 1.00 0.00 C ATOM 325 CG2 VAL A 20 5.231 3.019 -8.693 1.00 0.00 C ATOM 0 H VAL A 20 4.698 1.926 -5.665 1.00 0.00 H new ATOM 0 HA VAL A 20 6.256 0.659 -7.823 1.00 0.00 H new ATOM 0 HB VAL A 20 6.152 3.536 -6.840 1.00 0.00 H new ATOM 0 HG11 VAL A 20 7.740 4.035 -8.659 1.00 0.00 H new ATOM 0 HG12 VAL A 20 8.440 2.933 -7.449 1.00 0.00 H new ATOM 0 HG13 VAL A 20 7.873 2.296 -9.011 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.326 4.020 -9.114 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.349 2.280 -9.485 1.00 0.00 H new ATOM 0 HG23 VAL A 20 4.247 2.909 -8.238 1.00 0.00 H new ATOM 335 N GLY A 21 8.271 0.310 -6.405 1.00 0.00 N ATOM 336 CA GLY A 21 9.403 0.046 -5.547 1.00 0.00 C ATOM 337 C GLY A 21 10.606 0.858 -5.958 1.00 0.00 C ATOM 338 O GLY A 21 11.078 0.738 -7.086 1.00 0.00 O ATOM 0 H GLY A 21 8.258 -0.219 -7.277 1.00 0.00 H new ATOM 0 HA2 GLY A 21 9.141 0.278 -4.515 1.00 0.00 H new ATOM 0 HA3 GLY A 21 9.649 -1.015 -5.583 1.00 0.00 H new ATOM 342 N GLN A 22 11.102 1.691 -5.052 1.00 0.00 N ATOM 343 CA GLN A 22 12.256 2.528 -5.345 1.00 0.00 C ATOM 344 C GLN A 22 13.532 1.695 -5.337 1.00 0.00 C ATOM 345 O GLN A 22 14.017 1.286 -4.280 1.00 0.00 O ATOM 346 CB GLN A 22 12.363 3.674 -4.336 1.00 0.00 C ATOM 347 CG GLN A 22 13.537 4.605 -4.599 1.00 0.00 C ATOM 348 CD GLN A 22 13.513 5.851 -3.737 1.00 0.00 C ATOM 349 OE1 GLN A 22 13.980 6.910 -4.153 1.00 0.00 O ATOM 350 NE2 GLN A 22 12.990 5.737 -2.527 1.00 0.00 N ATOM 0 H GLN A 22 10.724 1.804 -4.111 1.00 0.00 H new ATOM 0 HA GLN A 22 12.125 2.956 -6.339 1.00 0.00 H new ATOM 0 HB2 GLN A 22 11.439 4.252 -4.355 1.00 0.00 H new ATOM 0 HB3 GLN A 22 12.457 3.257 -3.333 1.00 0.00 H new ATOM 0 HG2 GLN A 22 14.467 4.066 -4.421 1.00 0.00 H new ATOM 0 HG3 GLN A 22 13.533 4.897 -5.649 1.00 0.00 H new ATOM 0 HE21 GLN A 22 12.612 4.842 -2.217 1.00 0.00 H new ATOM 0 HE22 GLN A 22 12.965 6.544 -1.904 1.00 0.00 H new ATOM 359 N SER A 23 14.055 1.429 -6.523 1.00 0.00 N ATOM 360 CA SER A 23 15.269 0.648 -6.671 1.00 0.00 C ATOM 361 C SER A 23 16.486 1.567 -6.745 1.00 0.00 C ATOM 362 O SER A 23 16.400 2.687 -7.254 1.00 0.00 O ATOM 363 CB SER A 23 15.172 -0.216 -7.927 1.00 0.00 C ATOM 364 OG SER A 23 13.893 -0.828 -8.022 1.00 0.00 O ATOM 0 H SER A 23 13.652 1.747 -7.404 1.00 0.00 H new ATOM 0 HA SER A 23 15.385 -0.001 -5.803 1.00 0.00 H new ATOM 0 HB2 SER A 23 15.353 0.397 -8.810 1.00 0.00 H new ATOM 0 HB3 SER A 23 15.946 -0.983 -7.907 1.00 0.00 H new ATOM 0 HG SER A 23 13.852 -1.375 -8.834 1.00 0.00 H new ATOM 370 N ASN A 24 17.617 1.090 -6.247 1.00 0.00 N ATOM 371 CA ASN A 24 18.850 1.866 -6.246 1.00 0.00 C ATOM 372 C ASN A 24 20.030 0.933 -5.997 1.00 0.00 C ATOM 373 O ASN A 24 19.911 -0.277 -6.181 1.00 0.00 O ATOM 374 CB ASN A 24 18.799 2.969 -5.176 1.00 0.00 C ATOM 375 CG ASN A 24 19.665 4.171 -5.521 1.00 0.00 C ATOM 376 OD1 ASN A 24 20.576 4.086 -6.344 1.00 0.00 O ATOM 377 ND2 ASN A 24 19.400 5.295 -4.875 1.00 0.00 N ATOM 0 H ASN A 24 17.707 0.161 -5.835 1.00 0.00 H new ATOM 0 HA ASN A 24 18.969 2.349 -7.216 1.00 0.00 H new ATOM 0 HB2 ASN A 24 17.767 3.296 -5.048 1.00 0.00 H new ATOM 0 HB3 ASN A 24 19.123 2.556 -4.221 1.00 0.00 H new ATOM 0 HD21 ASN A 24 19.959 6.129 -5.052 1.00 0.00 H new ATOM 0 HD22 ASN A 24 18.636 5.327 -4.200 1.00 0.00 H new ATOM 384 N ASP A 25 21.158 1.489 -5.582 1.00 0.00 N ATOM 385 CA ASP A 25 22.346 0.691 -5.308 1.00 0.00 C ATOM 386 C ASP A 25 22.129 -0.225 -4.114 1.00 0.00 C ATOM 387 O ASP A 25 22.418 -1.418 -4.181 1.00 0.00 O ATOM 388 CB ASP A 25 23.557 1.586 -5.060 1.00 0.00 C ATOM 389 CG ASP A 25 24.290 1.927 -6.339 1.00 0.00 C ATOM 390 OD1 ASP A 25 24.364 1.061 -7.237 1.00 0.00 O ATOM 391 OD2 ASP A 25 24.798 3.062 -6.454 1.00 0.00 O ATOM 0 H ASP A 25 21.277 2.490 -5.427 1.00 0.00 H new ATOM 0 HA ASP A 25 22.536 0.076 -6.187 1.00 0.00 H new ATOM 0 HB2 ASP A 25 23.233 2.506 -4.573 1.00 0.00 H new ATOM 0 HB3 ASP A 25 24.241 1.086 -4.374 1.00 0.00 H new ATOM 396 N ARG A 26 21.616 0.329 -3.019 1.00 0.00 N ATOM 397 CA ARG A 26 21.365 -0.463 -1.823 1.00 0.00 C ATOM 398 C ARG A 26 20.180 -1.394 -2.054 1.00 0.00 C ATOM 399 O ARG A 26 20.315 -2.613 -1.972 1.00 0.00 O ATOM 400 CB ARG A 26 21.115 0.442 -0.614 1.00 0.00 C ATOM 401 CG ARG A 26 22.309 1.308 -0.239 1.00 0.00 C ATOM 402 CD ARG A 26 23.341 0.531 0.565 1.00 0.00 C ATOM 403 NE ARG A 26 24.533 1.333 0.841 1.00 0.00 N ATOM 404 CZ ARG A 26 24.672 2.129 1.903 1.00 0.00 C ATOM 405 NH1 ARG A 26 23.689 2.250 2.787 1.00 0.00 N ATOM 406 NH2 ARG A 26 25.798 2.814 2.072 1.00 0.00 N ATOM 0 H ARG A 26 21.368 1.315 -2.937 1.00 0.00 H new ATOM 0 HA ARG A 26 22.248 -1.066 -1.613 1.00 0.00 H new ATOM 0 HB2 ARG A 26 20.262 1.087 -0.825 1.00 0.00 H new ATOM 0 HB3 ARG A 26 20.843 -0.177 0.241 1.00 0.00 H new ATOM 0 HG2 ARG A 26 22.773 1.699 -1.145 1.00 0.00 H new ATOM 0 HG3 ARG A 26 21.968 2.166 0.340 1.00 0.00 H new ATOM 0 HD2 ARG A 26 22.898 0.204 1.505 1.00 0.00 H new ATOM 0 HD3 ARG A 26 23.626 -0.367 0.018 1.00 0.00 H new ATOM 0 HE ARG A 26 25.307 1.280 0.179 1.00 0.00 H new ATOM 0 HH11 ARG A 26 22.820 1.732 2.657 1.00 0.00 H new ATOM 0 HH12 ARG A 26 23.803 2.860 3.596 1.00 0.00 H new ATOM 0 HH21 ARG A 26 26.553 2.731 1.391 1.00 0.00 H new ATOM 0 HH22 ARG A 26 25.907 3.423 2.883 1.00 0.00 H new ATOM 420 N GLY A 27 19.021 -0.822 -2.350 1.00 0.00 N ATOM 421 CA GLY A 27 17.849 -1.632 -2.612 1.00 0.00 C ATOM 422 C GLY A 27 16.712 -1.370 -1.648 1.00 0.00 C ATOM 423 O GLY A 27 15.553 -1.646 -1.963 1.00 0.00 O ATOM 0 H GLY A 27 18.872 0.185 -2.413 1.00 0.00 H new ATOM 0 HA2 GLY A 27 17.505 -1.443 -3.629 1.00 0.00 H new ATOM 0 HA3 GLY A 27 18.125 -2.685 -2.560 1.00 0.00 H new ATOM 427 N ASP A 28 17.031 -0.826 -0.478 1.00 0.00 N ATOM 428 CA ASP A 28 16.015 -0.533 0.533 1.00 0.00 C ATOM 429 C ASP A 28 15.420 0.857 0.313 1.00 0.00 C ATOM 430 O ASP A 28 15.358 1.690 1.221 1.00 0.00 O ATOM 431 CB ASP A 28 16.592 -0.668 1.955 1.00 0.00 C ATOM 432 CG ASP A 28 17.712 0.307 2.255 1.00 0.00 C ATOM 433 OD1 ASP A 28 18.754 0.258 1.565 1.00 0.00 O ATOM 434 OD2 ASP A 28 17.561 1.121 3.189 1.00 0.00 O ATOM 0 H ASP A 28 17.982 -0.579 -0.205 1.00 0.00 H new ATOM 0 HA ASP A 28 15.214 -1.265 0.429 1.00 0.00 H new ATOM 0 HB2 ASP A 28 15.790 -0.519 2.678 1.00 0.00 H new ATOM 0 HB3 ASP A 28 16.961 -1.684 2.092 1.00 0.00 H new ATOM 439 N GLY A 29 14.979 1.096 -0.914 1.00 0.00 N ATOM 440 CA GLY A 29 14.384 2.369 -1.264 1.00 0.00 C ATOM 441 C GLY A 29 12.963 2.490 -0.755 1.00 0.00 C ATOM 442 O GLY A 29 12.448 3.598 -0.585 1.00 0.00 O ATOM 0 H GLY A 29 15.024 0.424 -1.680 1.00 0.00 H new ATOM 0 HA2 GLY A 29 14.987 3.177 -0.850 1.00 0.00 H new ATOM 0 HA3 GLY A 29 14.392 2.487 -2.348 1.00 0.00 H new ATOM 446 N GLY A 30 12.323 1.354 -0.523 1.00 0.00 N ATOM 447 CA GLY A 30 10.966 1.359 -0.020 1.00 0.00 C ATOM 448 C GLY A 30 9.930 1.415 -1.124 1.00 0.00 C ATOM 449 O GLY A 30 10.250 1.711 -2.281 1.00 0.00 O ATOM 0 H GLY A 30 12.720 0.427 -0.675 1.00 0.00 H new ATOM 0 HA2 GLY A 30 10.803 0.464 0.580 1.00 0.00 H new ATOM 0 HA3 GLY A 30 10.832 2.215 0.641 1.00 0.00 H new ATOM 453 N ILE A 31 8.687 1.139 -0.766 1.00 0.00 N ATOM 454 CA ILE A 31 7.594 1.148 -1.725 1.00 0.00 C ATOM 455 C ILE A 31 6.770 2.426 -1.607 1.00 0.00 C ATOM 456 O ILE A 31 6.444 2.877 -0.504 1.00 0.00 O ATOM 457 CB ILE A 31 6.673 -0.078 -1.553 1.00 0.00 C ATOM 458 CG1 ILE A 31 6.476 -0.405 -0.067 1.00 0.00 C ATOM 459 CG2 ILE A 31 7.249 -1.277 -2.297 1.00 0.00 C ATOM 460 CD1 ILE A 31 5.377 -1.414 0.190 1.00 0.00 C ATOM 0 H ILE A 31 8.408 0.905 0.187 1.00 0.00 H new ATOM 0 HA ILE A 31 8.045 1.105 -2.717 1.00 0.00 H new ATOM 0 HB ILE A 31 5.698 0.159 -1.978 1.00 0.00 H new ATOM 0 HG12 ILE A 31 7.412 -0.788 0.340 1.00 0.00 H new ATOM 0 HG13 ILE A 31 6.247 0.514 0.472 1.00 0.00 H new ATOM 0 HG21 ILE A 31 6.590 -2.136 -2.168 1.00 0.00 H new ATOM 0 HG22 ILE A 31 7.334 -1.041 -3.358 1.00 0.00 H new ATOM 0 HG23 ILE A 31 8.235 -1.513 -1.898 1.00 0.00 H new ATOM 0 HD11 ILE A 31 5.294 -1.597 1.261 1.00 0.00 H new ATOM 0 HD12 ILE A 31 4.431 -1.025 -0.186 1.00 0.00 H new ATOM 0 HD13 ILE A 31 5.614 -2.348 -0.320 1.00 0.00 H new ATOM 472 N TYR A 32 6.448 3.008 -2.750 1.00 0.00 N ATOM 473 CA TYR A 32 5.675 4.239 -2.805 1.00 0.00 C ATOM 474 C TYR A 32 4.428 4.052 -3.661 1.00 0.00 C ATOM 475 O TYR A 32 4.343 3.112 -4.452 1.00 0.00 O ATOM 476 CB TYR A 32 6.529 5.373 -3.383 1.00 0.00 C ATOM 477 CG TYR A 32 7.635 5.859 -2.469 1.00 0.00 C ATOM 478 CD1 TYR A 32 8.816 5.137 -2.321 1.00 0.00 C ATOM 479 CD2 TYR A 32 7.500 7.044 -1.757 1.00 0.00 C ATOM 480 CE1 TYR A 32 9.825 5.583 -1.492 1.00 0.00 C ATOM 481 CE2 TYR A 32 8.507 7.496 -0.927 1.00 0.00 C ATOM 482 CZ TYR A 32 9.664 6.761 -0.796 1.00 0.00 C ATOM 483 OH TYR A 32 10.665 7.207 0.038 1.00 0.00 O ATOM 0 H TYR A 32 6.714 2.642 -3.664 1.00 0.00 H new ATOM 0 HA TYR A 32 5.371 4.497 -1.791 1.00 0.00 H new ATOM 0 HB2 TYR A 32 6.972 5.035 -4.320 1.00 0.00 H new ATOM 0 HB3 TYR A 32 5.878 6.214 -3.623 1.00 0.00 H new ATOM 0 HD1 TYR A 32 8.945 4.212 -2.864 1.00 0.00 H new ATOM 0 HD2 TYR A 32 6.593 7.621 -1.854 1.00 0.00 H new ATOM 0 HE1 TYR A 32 10.736 5.012 -1.389 1.00 0.00 H new ATOM 0 HE2 TYR A 32 8.388 8.421 -0.383 1.00 0.00 H new ATOM 0 HH TYR A 32 10.483 6.911 0.954 1.00 0.00 H new ATOM 493 N ILE A 33 3.465 4.943 -3.487 1.00 0.00 N ATOM 494 CA ILE A 33 2.229 4.898 -4.255 1.00 0.00 C ATOM 495 C ILE A 33 2.446 5.538 -5.622 1.00 0.00 C ATOM 496 O ILE A 33 2.762 6.728 -5.715 1.00 0.00 O ATOM 497 CB ILE A 33 1.080 5.625 -3.516 1.00 0.00 C ATOM 498 CG1 ILE A 33 0.772 4.928 -2.185 1.00 0.00 C ATOM 499 CG2 ILE A 33 -0.168 5.688 -4.387 1.00 0.00 C ATOM 500 CD1 ILE A 33 0.201 3.533 -2.338 1.00 0.00 C ATOM 0 H ILE A 33 3.515 5.710 -2.817 1.00 0.00 H new ATOM 0 HA ILE A 33 1.946 3.853 -4.378 1.00 0.00 H new ATOM 0 HB ILE A 33 1.401 6.645 -3.306 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.687 4.872 -1.595 1.00 0.00 H new ATOM 0 HG13 ILE A 33 0.066 5.539 -1.622 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.963 6.203 -3.847 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.057 6.229 -5.306 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.492 4.677 -4.632 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.010 3.108 -1.353 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.732 3.581 -2.899 1.00 0.00 H new ATOM 0 HD13 ILE A 33 0.914 2.905 -2.873 1.00 0.00 H new ATOM 512 N GLY A 34 2.297 4.744 -6.671 1.00 0.00 N ATOM 513 CA GLY A 34 2.486 5.233 -8.023 1.00 0.00 C ATOM 514 C GLY A 34 1.326 6.077 -8.502 1.00 0.00 C ATOM 515 O GLY A 34 1.444 7.295 -8.616 1.00 0.00 O ATOM 0 H GLY A 34 2.045 3.757 -6.609 1.00 0.00 H new ATOM 0 HA2 GLY A 34 3.402 5.822 -8.068 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.618 4.386 -8.697 1.00 0.00 H new ATOM 519 N SER A 35 0.213 5.436 -8.804 1.00 0.00 N ATOM 520 CA SER A 35 -0.963 6.148 -9.270 1.00 0.00 C ATOM 521 C SER A 35 -2.228 5.551 -8.673 1.00 0.00 C ATOM 522 O SER A 35 -2.275 4.356 -8.372 1.00 0.00 O ATOM 523 CB SER A 35 -1.026 6.105 -10.794 1.00 0.00 C ATOM 524 OG SER A 35 0.177 6.602 -11.357 1.00 0.00 O ATOM 0 H SER A 35 0.098 4.425 -8.735 1.00 0.00 H new ATOM 0 HA SER A 35 -0.891 7.186 -8.945 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.194 5.081 -11.128 1.00 0.00 H new ATOM 0 HB3 SER A 35 -1.871 6.698 -11.145 1.00 0.00 H new ATOM 0 HG SER A 35 0.120 6.566 -12.335 1.00 0.00 H new ATOM 530 N ILE A 36 -3.243 6.387 -8.503 1.00 0.00 N ATOM 531 CA ILE A 36 -4.513 5.952 -7.942 1.00 0.00 C ATOM 532 C ILE A 36 -5.520 5.674 -9.052 1.00 0.00 C ATOM 533 O ILE A 36 -5.565 6.391 -10.053 1.00 0.00 O ATOM 534 CB ILE A 36 -5.100 7.010 -6.981 1.00 0.00 C ATOM 535 CG1 ILE A 36 -4.071 7.394 -5.918 1.00 0.00 C ATOM 536 CG2 ILE A 36 -6.374 6.496 -6.322 1.00 0.00 C ATOM 537 CD1 ILE A 36 -4.600 8.365 -4.888 1.00 0.00 C ATOM 0 H ILE A 36 -3.210 7.377 -8.748 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.322 5.037 -7.381 1.00 0.00 H new ATOM 0 HB ILE A 36 -5.350 7.897 -7.563 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.729 6.491 -5.412 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.202 7.834 -6.407 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -6.769 7.258 -5.650 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -7.115 6.270 -7.089 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -6.151 5.592 -5.755 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.816 8.592 -4.166 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -4.916 9.284 -5.382 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -5.451 7.920 -4.372 1.00 0.00 H new ATOM 549 N MET A 37 -6.322 4.634 -8.872 1.00 0.00 N ATOM 550 CA MET A 37 -7.329 4.260 -9.851 1.00 0.00 C ATOM 551 C MET A 37 -8.721 4.546 -9.306 1.00 0.00 C ATOM 552 O MET A 37 -9.117 4.005 -8.268 1.00 0.00 O ATOM 553 CB MET A 37 -7.195 2.781 -10.221 1.00 0.00 C ATOM 554 CG MET A 37 -5.781 2.386 -10.628 1.00 0.00 C ATOM 555 SD MET A 37 -5.173 3.323 -12.044 1.00 0.00 S ATOM 556 CE MET A 37 -3.411 3.326 -11.717 1.00 0.00 C ATOM 0 H MET A 37 -6.293 4.031 -8.050 1.00 0.00 H new ATOM 0 HA MET A 37 -7.176 4.854 -10.752 1.00 0.00 H new ATOM 0 HB2 MET A 37 -7.504 2.172 -9.372 1.00 0.00 H new ATOM 0 HB3 MET A 37 -7.878 2.556 -11.040 1.00 0.00 H new ATOM 0 HG2 MET A 37 -5.109 2.537 -9.783 1.00 0.00 H new ATOM 0 HG3 MET A 37 -5.760 1.322 -10.866 1.00 0.00 H new ATOM 0 HE1 MET A 37 -2.895 3.870 -12.508 1.00 0.00 H new ATOM 0 HE2 MET A 37 -3.219 3.810 -10.759 1.00 0.00 H new ATOM 0 HE3 MET A 37 -3.045 2.300 -11.684 1.00 0.00 H new ATOM 566 N LYS A 38 -9.450 5.408 -10.008 1.00 0.00 N ATOM 567 CA LYS A 38 -10.800 5.796 -9.611 1.00 0.00 C ATOM 568 C LYS A 38 -11.705 4.577 -9.464 1.00 0.00 C ATOM 569 O LYS A 38 -11.806 3.746 -10.369 1.00 0.00 O ATOM 570 CB LYS A 38 -11.387 6.782 -10.634 1.00 0.00 C ATOM 571 CG LYS A 38 -12.820 7.203 -10.347 1.00 0.00 C ATOM 572 CD LYS A 38 -12.952 7.883 -8.995 1.00 0.00 C ATOM 573 CE LYS A 38 -14.394 8.266 -8.713 1.00 0.00 C ATOM 574 NZ LYS A 38 -14.579 8.772 -7.326 1.00 0.00 N ATOM 0 H LYS A 38 -9.124 5.856 -10.864 1.00 0.00 H new ATOM 0 HA LYS A 38 -10.742 6.286 -8.639 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.759 7.672 -10.665 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -11.346 6.328 -11.624 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -13.163 7.881 -11.129 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -13.468 6.327 -10.378 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -12.590 7.216 -8.212 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -12.324 8.774 -8.970 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -14.711 9.031 -9.422 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -15.036 7.399 -8.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -15.578 9.021 -7.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -14.302 8.034 -6.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -13.987 9.615 -7.182 1.00 0.00 H new ATOM 588 N GLY A 39 -12.350 4.474 -8.310 1.00 0.00 N ATOM 589 CA GLY A 39 -13.238 3.363 -8.048 1.00 0.00 C ATOM 590 C GLY A 39 -12.712 2.464 -6.953 1.00 0.00 C ATOM 591 O GLY A 39 -13.464 1.693 -6.355 1.00 0.00 O ATOM 0 H GLY A 39 -12.272 5.146 -7.547 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -14.220 3.743 -7.765 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -13.372 2.783 -8.961 1.00 0.00 H new ATOM 595 N GLY A 40 -11.417 2.565 -6.692 1.00 0.00 N ATOM 596 CA GLY A 40 -10.796 1.754 -5.665 1.00 0.00 C ATOM 597 C GLY A 40 -11.064 2.271 -4.267 1.00 0.00 C ATOM 598 O GLY A 40 -11.564 3.383 -4.089 1.00 0.00 O ATOM 0 H GLY A 40 -10.781 3.199 -7.177 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -11.163 0.731 -5.745 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -9.720 1.721 -5.835 1.00 0.00 H new ATOM 602 N ALA A 41 -10.723 1.460 -3.273 1.00 0.00 N ATOM 603 CA ALA A 41 -10.921 1.820 -1.876 1.00 0.00 C ATOM 604 C ALA A 41 -10.121 3.066 -1.504 1.00 0.00 C ATOM 605 O ALA A 41 -10.581 3.896 -0.718 1.00 0.00 O ATOM 606 CB ALA A 41 -10.543 0.653 -0.976 1.00 0.00 C ATOM 0 H ALA A 41 -10.304 0.540 -3.412 1.00 0.00 H new ATOM 0 HA ALA A 41 -11.977 2.050 -1.732 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -10.695 0.933 0.066 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -11.167 -0.208 -1.215 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -9.495 0.396 -1.134 1.00 0.00 H new ATOM 612 N VAL A 42 -8.934 3.199 -2.089 1.00 0.00 N ATOM 613 CA VAL A 42 -8.077 4.347 -1.822 1.00 0.00 C ATOM 614 C VAL A 42 -8.620 5.589 -2.519 1.00 0.00 C ATOM 615 O VAL A 42 -8.532 6.698 -1.993 1.00 0.00 O ATOM 616 CB VAL A 42 -6.625 4.081 -2.269 1.00 0.00 C ATOM 617 CG1 VAL A 42 -5.769 5.330 -2.124 1.00 0.00 C ATOM 618 CG2 VAL A 42 -6.032 2.937 -1.462 1.00 0.00 C ATOM 0 H VAL A 42 -8.545 2.526 -2.750 1.00 0.00 H new ATOM 0 HA VAL A 42 -8.074 4.515 -0.745 1.00 0.00 H new ATOM 0 HB VAL A 42 -6.638 3.803 -3.323 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -4.751 5.113 -2.446 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -6.182 6.128 -2.741 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.760 5.646 -1.081 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -5.007 2.757 -1.785 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -6.039 3.197 -0.403 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -6.625 2.036 -1.618 1.00 0.00 H new ATOM 628 N ALA A 43 -9.208 5.384 -3.694 1.00 0.00 N ATOM 629 CA ALA A 43 -9.784 6.476 -4.465 1.00 0.00 C ATOM 630 C ALA A 43 -10.944 7.103 -3.702 1.00 0.00 C ATOM 631 O ALA A 43 -11.248 8.287 -3.862 1.00 0.00 O ATOM 632 CB ALA A 43 -10.253 5.974 -5.823 1.00 0.00 C ATOM 0 H ALA A 43 -9.297 4.467 -4.133 1.00 0.00 H new ATOM 0 HA ALA A 43 -9.018 7.236 -4.622 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -10.682 6.801 -6.389 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -9.406 5.560 -6.370 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -11.008 5.200 -5.684 1.00 0.00 H new ATOM 638 N ALA A 44 -11.587 6.299 -2.870 1.00 0.00 N ATOM 639 CA ALA A 44 -12.702 6.768 -2.068 1.00 0.00 C ATOM 640 C ALA A 44 -12.202 7.503 -0.829 1.00 0.00 C ATOM 641 O ALA A 44 -12.920 8.314 -0.244 1.00 0.00 O ATOM 642 CB ALA A 44 -13.590 5.601 -1.671 1.00 0.00 C ATOM 0 H ALA A 44 -11.354 5.316 -2.733 1.00 0.00 H new ATOM 0 HA ALA A 44 -13.288 7.466 -2.665 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -14.423 5.966 -1.070 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -13.975 5.115 -2.568 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -13.010 4.884 -1.090 1.00 0.00 H new ATOM 648 N ASP A 45 -10.962 7.225 -0.441 1.00 0.00 N ATOM 649 CA ASP A 45 -10.368 7.855 0.733 1.00 0.00 C ATOM 650 C ASP A 45 -9.931 9.279 0.414 1.00 0.00 C ATOM 651 O ASP A 45 -10.568 10.243 0.841 1.00 0.00 O ATOM 652 CB ASP A 45 -9.180 7.041 1.248 1.00 0.00 C ATOM 653 CG ASP A 45 -8.806 7.425 2.660 1.00 0.00 C ATOM 654 OD1 ASP A 45 -8.074 8.418 2.835 1.00 0.00 O ATOM 655 OD2 ASP A 45 -9.270 6.756 3.608 1.00 0.00 O ATOM 0 H ASP A 45 -10.348 6.567 -0.922 1.00 0.00 H new ATOM 0 HA ASP A 45 -11.126 7.889 1.515 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -9.424 5.979 1.213 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -8.323 7.193 0.591 1.00 0.00 H new ATOM 660 N GLY A 46 -8.842 9.417 -0.331 1.00 0.00 N ATOM 661 CA GLY A 46 -8.366 10.734 -0.709 1.00 0.00 C ATOM 662 C GLY A 46 -7.173 11.219 0.098 1.00 0.00 C ATOM 663 O GLY A 46 -6.466 12.126 -0.340 1.00 0.00 O ATOM 0 H GLY A 46 -8.280 8.641 -0.680 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -8.096 10.721 -1.765 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -9.181 11.449 -0.597 1.00 0.00 H new ATOM 667 N ARG A 47 -6.938 10.634 1.269 1.00 0.00 N ATOM 668 CA ARG A 47 -5.809 11.049 2.100 1.00 0.00 C ATOM 669 C ARG A 47 -4.503 10.558 1.499 1.00 0.00 C ATOM 670 O ARG A 47 -3.445 11.163 1.685 1.00 0.00 O ATOM 671 CB ARG A 47 -5.964 10.541 3.532 1.00 0.00 C ATOM 672 CG ARG A 47 -7.013 11.302 4.324 1.00 0.00 C ATOM 673 CD ARG A 47 -7.319 10.618 5.642 1.00 0.00 C ATOM 674 NE ARG A 47 -7.930 9.304 5.445 1.00 0.00 N ATOM 675 CZ ARG A 47 -8.454 8.568 6.428 1.00 0.00 C ATOM 676 NH1 ARG A 47 -8.420 8.999 7.685 1.00 0.00 N ATOM 677 NH2 ARG A 47 -9.004 7.394 6.154 1.00 0.00 N ATOM 0 H ARG A 47 -7.504 9.882 1.661 1.00 0.00 H new ATOM 0 HA ARG A 47 -5.793 12.138 2.131 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -6.230 9.484 3.509 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -5.005 10.617 4.044 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -6.663 12.317 4.512 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -7.926 11.384 3.735 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -6.399 10.508 6.216 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -7.989 11.246 6.230 1.00 0.00 H new ATOM 0 HE ARG A 47 -7.958 8.926 4.498 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -7.991 9.898 7.904 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -8.823 8.431 8.430 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -9.027 7.053 5.193 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -9.405 6.831 6.904 1.00 0.00 H new ATOM 691 N ILE A 48 -4.589 9.454 0.778 1.00 0.00 N ATOM 692 CA ILE A 48 -3.434 8.879 0.118 1.00 0.00 C ATOM 693 C ILE A 48 -3.344 9.443 -1.294 1.00 0.00 C ATOM 694 O ILE A 48 -4.367 9.614 -1.961 1.00 0.00 O ATOM 695 CB ILE A 48 -3.527 7.337 0.058 1.00 0.00 C ATOM 696 CG1 ILE A 48 -3.786 6.757 1.454 1.00 0.00 C ATOM 697 CG2 ILE A 48 -2.254 6.744 -0.535 1.00 0.00 C ATOM 698 CD1 ILE A 48 -3.981 5.253 1.461 1.00 0.00 C ATOM 0 H ILE A 48 -5.456 8.935 0.635 1.00 0.00 H new ATOM 0 HA ILE A 48 -2.542 9.137 0.689 1.00 0.00 H new ATOM 0 HB ILE A 48 -4.364 7.072 -0.588 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -2.948 7.009 2.104 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -4.672 7.232 1.877 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -2.340 5.658 -0.568 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -2.110 7.128 -1.545 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -1.401 7.022 0.084 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -4.159 4.914 2.481 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -4.837 4.994 0.838 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -3.087 4.768 1.069 1.00 0.00 H new ATOM 710 N GLU A 49 -2.137 9.755 -1.733 1.00 0.00 N ATOM 711 CA GLU A 49 -1.925 10.306 -3.063 1.00 0.00 C ATOM 712 C GLU A 49 -0.590 9.836 -3.639 1.00 0.00 C ATOM 713 O GLU A 49 0.269 9.344 -2.902 1.00 0.00 O ATOM 714 CB GLU A 49 -1.991 11.838 -3.004 1.00 0.00 C ATOM 715 CG GLU A 49 -0.916 12.476 -2.143 1.00 0.00 C ATOM 716 CD GLU A 49 -1.274 13.890 -1.741 1.00 0.00 C ATOM 717 OE1 GLU A 49 -1.321 14.772 -2.622 1.00 0.00 O ATOM 718 OE2 GLU A 49 -1.521 14.123 -0.538 1.00 0.00 O ATOM 0 H GLU A 49 -1.284 9.636 -1.186 1.00 0.00 H new ATOM 0 HA GLU A 49 -2.713 9.947 -3.725 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -1.911 12.233 -4.017 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -2.968 12.134 -2.623 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -0.763 11.873 -1.248 1.00 0.00 H new ATOM 0 HG3 GLU A 49 0.028 12.482 -2.688 1.00 0.00 H new ATOM 725 N PRO A 50 -0.410 9.947 -4.970 1.00 0.00 N ATOM 726 CA PRO A 50 0.833 9.546 -5.636 1.00 0.00 C ATOM 727 C PRO A 50 2.052 10.219 -5.015 1.00 0.00 C ATOM 728 O PRO A 50 2.173 11.445 -5.017 1.00 0.00 O ATOM 729 CB PRO A 50 0.633 10.018 -7.079 1.00 0.00 C ATOM 730 CG PRO A 50 -0.842 10.051 -7.263 1.00 0.00 C ATOM 731 CD PRO A 50 -1.409 10.453 -5.932 1.00 0.00 C ATOM 0 HA PRO A 50 1.020 8.476 -5.552 1.00 0.00 H new ATOM 0 HB2 PRO A 50 1.074 11.002 -7.239 1.00 0.00 H new ATOM 0 HB3 PRO A 50 1.106 9.338 -7.788 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -1.124 10.762 -8.039 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -1.220 9.076 -7.571 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -1.529 11.534 -5.856 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -2.391 10.010 -5.763 1.00 0.00 H new ATOM 739 N GLY A 51 2.943 9.408 -4.470 1.00 0.00 N ATOM 740 CA GLY A 51 4.136 9.933 -3.841 1.00 0.00 C ATOM 741 C GLY A 51 4.243 9.496 -2.396 1.00 0.00 C ATOM 742 O GLY A 51 5.318 9.562 -1.798 1.00 0.00 O ATOM 0 H GLY A 51 2.861 8.391 -4.452 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.016 9.596 -4.390 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.126 11.022 -3.893 1.00 0.00 H new ATOM 746 N ASP A 52 3.124 9.057 -1.831 1.00 0.00 N ATOM 747 CA ASP A 52 3.091 8.596 -0.449 1.00 0.00 C ATOM 748 C ASP A 52 3.863 7.288 -0.314 1.00 0.00 C ATOM 749 O ASP A 52 3.862 6.460 -1.227 1.00 0.00 O ATOM 750 CB ASP A 52 1.646 8.402 0.026 1.00 0.00 C ATOM 751 CG ASP A 52 0.893 9.710 0.212 1.00 0.00 C ATOM 752 OD1 ASP A 52 1.531 10.782 0.268 1.00 0.00 O ATOM 753 OD2 ASP A 52 -0.351 9.675 0.303 1.00 0.00 O ATOM 0 H ASP A 52 2.225 9.011 -2.311 1.00 0.00 H new ATOM 0 HA ASP A 52 3.561 9.355 0.176 1.00 0.00 H new ATOM 0 HB2 ASP A 52 1.113 7.784 -0.697 1.00 0.00 H new ATOM 0 HB3 ASP A 52 1.651 7.856 0.970 1.00 0.00 H new ATOM 758 N MET A 53 4.521 7.107 0.819 1.00 0.00 N ATOM 759 CA MET A 53 5.309 5.907 1.069 1.00 0.00 C ATOM 760 C MET A 53 4.538 4.925 1.945 1.00 0.00 C ATOM 761 O MET A 53 3.901 5.324 2.913 1.00 0.00 O ATOM 762 CB MET A 53 6.622 6.293 1.754 1.00 0.00 C ATOM 763 CG MET A 53 7.580 5.134 1.956 1.00 0.00 C ATOM 764 SD MET A 53 9.136 5.659 2.698 1.00 0.00 S ATOM 765 CE MET A 53 10.025 4.106 2.739 1.00 0.00 C ATOM 0 H MET A 53 4.526 7.779 1.586 1.00 0.00 H new ATOM 0 HA MET A 53 5.520 5.423 0.116 1.00 0.00 H new ATOM 0 HB2 MET A 53 7.118 7.060 1.159 1.00 0.00 H new ATOM 0 HB3 MET A 53 6.397 6.737 2.724 1.00 0.00 H new ATOM 0 HG2 MET A 53 7.111 4.384 2.592 1.00 0.00 H new ATOM 0 HG3 MET A 53 7.780 4.658 0.996 1.00 0.00 H new ATOM 0 HE1 MET A 53 10.477 3.972 3.722 1.00 0.00 H new ATOM 0 HE2 MET A 53 9.334 3.286 2.542 1.00 0.00 H new ATOM 0 HE3 MET A 53 10.806 4.113 1.978 1.00 0.00 H new ATOM 775 N LEU A 54 4.602 3.646 1.609 1.00 0.00 N ATOM 776 CA LEU A 54 3.911 2.622 2.385 1.00 0.00 C ATOM 777 C LEU A 54 4.849 2.024 3.423 1.00 0.00 C ATOM 778 O LEU A 54 5.914 1.511 3.082 1.00 0.00 O ATOM 779 CB LEU A 54 3.371 1.515 1.472 1.00 0.00 C ATOM 780 CG LEU A 54 1.933 1.708 0.982 1.00 0.00 C ATOM 781 CD1 LEU A 54 1.566 0.628 -0.023 1.00 0.00 C ATOM 782 CD2 LEU A 54 0.964 1.681 2.152 1.00 0.00 C ATOM 0 H LEU A 54 5.123 3.291 0.807 1.00 0.00 H new ATOM 0 HA LEU A 54 3.069 3.093 2.893 1.00 0.00 H new ATOM 0 HB2 LEU A 54 4.024 1.433 0.603 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.430 0.567 2.006 1.00 0.00 H new ATOM 0 HG LEU A 54 1.865 2.680 0.494 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.541 0.779 -0.362 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.242 0.681 -0.877 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.652 -0.351 0.448 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.053 1.820 1.785 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.038 0.721 2.663 1.00 0.00 H new ATOM 0 HD23 LEU A 54 1.211 2.483 2.848 1.00 0.00 H new ATOM 794 N LEU A 55 4.458 2.102 4.686 1.00 0.00 N ATOM 795 CA LEU A 55 5.277 1.570 5.766 1.00 0.00 C ATOM 796 C LEU A 55 4.712 0.251 6.279 1.00 0.00 C ATOM 797 O LEU A 55 5.247 -0.820 5.997 1.00 0.00 O ATOM 798 CB LEU A 55 5.366 2.577 6.918 1.00 0.00 C ATOM 799 CG LEU A 55 5.817 3.987 6.533 1.00 0.00 C ATOM 800 CD1 LEU A 55 5.930 4.863 7.768 1.00 0.00 C ATOM 801 CD2 LEU A 55 7.142 3.947 5.791 1.00 0.00 C ATOM 0 H LEU A 55 3.581 2.527 4.988 1.00 0.00 H new ATOM 0 HA LEU A 55 6.277 1.391 5.370 1.00 0.00 H new ATOM 0 HB2 LEU A 55 4.387 2.645 7.393 1.00 0.00 H new ATOM 0 HB3 LEU A 55 6.056 2.186 7.665 1.00 0.00 H new ATOM 0 HG LEU A 55 5.066 4.415 5.869 1.00 0.00 H new ATOM 0 HD11 LEU A 55 6.252 5.863 7.477 1.00 0.00 H new ATOM 0 HD12 LEU A 55 4.960 4.923 8.261 1.00 0.00 H new ATOM 0 HD13 LEU A 55 6.660 4.432 8.454 1.00 0.00 H new ATOM 0 HD21 LEU A 55 7.442 4.961 5.528 1.00 0.00 H new ATOM 0 HD22 LEU A 55 7.903 3.497 6.429 1.00 0.00 H new ATOM 0 HD23 LEU A 55 7.033 3.354 4.883 1.00 0.00 H new ATOM 813 N GLN A 56 3.625 0.336 7.033 1.00 0.00 N ATOM 814 CA GLN A 56 2.984 -0.845 7.593 1.00 0.00 C ATOM 815 C GLN A 56 1.635 -1.095 6.929 1.00 0.00 C ATOM 816 O GLN A 56 0.853 -0.163 6.712 1.00 0.00 O ATOM 817 CB GLN A 56 2.806 -0.688 9.108 1.00 0.00 C ATOM 818 CG GLN A 56 2.125 -1.877 9.773 1.00 0.00 C ATOM 819 CD GLN A 56 1.785 -1.636 11.234 1.00 0.00 C ATOM 820 OE1 GLN A 56 0.780 -2.137 11.736 1.00 0.00 O ATOM 821 NE2 GLN A 56 2.617 -0.873 11.926 1.00 0.00 N ATOM 0 H GLN A 56 3.167 1.215 7.272 1.00 0.00 H new ATOM 0 HA GLN A 56 3.627 -1.704 7.401 1.00 0.00 H new ATOM 0 HB2 GLN A 56 3.784 -0.538 9.566 1.00 0.00 H new ATOM 0 HB3 GLN A 56 2.221 0.211 9.305 1.00 0.00 H new ATOM 0 HG2 GLN A 56 1.211 -2.114 9.229 1.00 0.00 H new ATOM 0 HG3 GLN A 56 2.776 -2.748 9.698 1.00 0.00 H new ATOM 0 HE21 GLN A 56 3.440 -0.476 11.474 1.00 0.00 H new ATOM 0 HE22 GLN A 56 2.435 -0.683 12.911 1.00 0.00 H new ATOM 830 N VAL A 57 1.377 -2.351 6.594 1.00 0.00 N ATOM 831 CA VAL A 57 0.123 -2.739 5.967 1.00 0.00 C ATOM 832 C VAL A 57 -0.491 -3.916 6.714 1.00 0.00 C ATOM 833 O VAL A 57 -0.108 -5.064 6.499 1.00 0.00 O ATOM 834 CB VAL A 57 0.314 -3.127 4.485 1.00 0.00 C ATOM 835 CG1 VAL A 57 -1.012 -3.544 3.872 1.00 0.00 C ATOM 836 CG2 VAL A 57 0.925 -1.979 3.697 1.00 0.00 C ATOM 0 H VAL A 57 2.025 -3.123 6.748 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.541 -1.876 6.011 1.00 0.00 H new ATOM 0 HB VAL A 57 1.001 -3.972 4.441 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -0.861 -3.815 2.827 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -1.410 -4.401 4.415 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.718 -2.716 3.934 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.049 -2.278 2.656 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.268 -1.111 3.749 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.897 -1.724 4.120 1.00 0.00 H new ATOM 846 N ASN A 58 -1.429 -3.617 7.603 1.00 0.00 N ATOM 847 CA ASN A 58 -2.106 -4.642 8.399 1.00 0.00 C ATOM 848 C ASN A 58 -1.124 -5.429 9.261 1.00 0.00 C ATOM 849 O ASN A 58 -0.807 -6.585 8.960 1.00 0.00 O ATOM 850 CB ASN A 58 -2.895 -5.606 7.505 1.00 0.00 C ATOM 851 CG ASN A 58 -4.303 -5.124 7.225 1.00 0.00 C ATOM 852 OD1 ASN A 58 -4.543 -4.419 6.251 1.00 0.00 O ATOM 853 ND2 ASN A 58 -5.247 -5.493 8.078 1.00 0.00 N ATOM 0 H ASN A 58 -1.743 -2.666 7.795 1.00 0.00 H new ATOM 0 HA ASN A 58 -2.800 -4.121 9.058 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -2.365 -5.735 6.561 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -2.939 -6.585 7.983 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -6.210 -5.190 7.935 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -5.010 -6.080 8.878 1.00 0.00 H new ATOM 860 N ASP A 59 -0.625 -4.771 10.309 1.00 0.00 N ATOM 861 CA ASP A 59 0.309 -5.369 11.276 1.00 0.00 C ATOM 862 C ASP A 59 1.720 -5.565 10.718 1.00 0.00 C ATOM 863 O ASP A 59 2.700 -5.243 11.391 1.00 0.00 O ATOM 864 CB ASP A 59 -0.230 -6.701 11.815 1.00 0.00 C ATOM 865 CG ASP A 59 -1.231 -6.508 12.938 1.00 0.00 C ATOM 866 OD1 ASP A 59 -2.411 -6.209 12.648 1.00 0.00 O ATOM 867 OD2 ASP A 59 -0.843 -6.653 14.114 1.00 0.00 O ATOM 0 H ASP A 59 -0.857 -3.800 10.516 1.00 0.00 H new ATOM 0 HA ASP A 59 0.387 -4.651 12.093 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -0.702 -7.254 11.003 1.00 0.00 H new ATOM 0 HB3 ASP A 59 0.601 -7.308 12.173 1.00 0.00 H new ATOM 872 N VAL A 60 1.836 -6.092 9.507 1.00 0.00 N ATOM 873 CA VAL A 60 3.148 -6.330 8.919 1.00 0.00 C ATOM 874 C VAL A 60 3.790 -5.030 8.441 1.00 0.00 C ATOM 875 O VAL A 60 3.143 -4.183 7.822 1.00 0.00 O ATOM 876 CB VAL A 60 3.100 -7.361 7.768 1.00 0.00 C ATOM 877 CG1 VAL A 60 2.464 -8.658 8.242 1.00 0.00 C ATOM 878 CG2 VAL A 60 2.355 -6.822 6.560 1.00 0.00 C ATOM 0 H VAL A 60 1.048 -6.360 8.918 1.00 0.00 H new ATOM 0 HA VAL A 60 3.767 -6.751 9.711 1.00 0.00 H new ATOM 0 HB VAL A 60 4.128 -7.559 7.463 1.00 0.00 H new ATOM 0 HG11 VAL A 60 2.438 -9.373 7.419 1.00 0.00 H new ATOM 0 HG12 VAL A 60 3.049 -9.071 9.063 1.00 0.00 H new ATOM 0 HG13 VAL A 60 1.448 -8.461 8.584 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.343 -7.576 5.773 1.00 0.00 H new ATOM 0 HG22 VAL A 60 1.331 -6.577 6.843 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.855 -5.925 6.195 1.00 0.00 H new ATOM 888 N ASN A 61 5.062 -4.879 8.759 1.00 0.00 N ATOM 889 CA ASN A 61 5.823 -3.697 8.383 1.00 0.00 C ATOM 890 C ASN A 61 6.729 -4.019 7.202 1.00 0.00 C ATOM 891 O ASN A 61 7.341 -5.086 7.162 1.00 0.00 O ATOM 892 CB ASN A 61 6.657 -3.217 9.576 1.00 0.00 C ATOM 893 CG ASN A 61 7.246 -1.833 9.371 1.00 0.00 C ATOM 894 OD1 ASN A 61 6.725 -1.034 8.596 1.00 0.00 O ATOM 895 ND2 ASN A 61 8.327 -1.530 10.077 1.00 0.00 N ATOM 0 H ASN A 61 5.598 -5.570 9.284 1.00 0.00 H new ATOM 0 HA ASN A 61 5.135 -2.904 8.091 1.00 0.00 H new ATOM 0 HB2 ASN A 61 6.033 -3.211 10.469 1.00 0.00 H new ATOM 0 HB3 ASN A 61 7.465 -3.926 9.756 1.00 0.00 H new ATOM 0 HD21 ASN A 61 8.753 -0.608 9.986 1.00 0.00 H new ATOM 0 HD22 ASN A 61 8.732 -2.219 10.711 1.00 0.00 H new ATOM 902 N PHE A 62 6.809 -3.106 6.245 1.00 0.00 N ATOM 903 CA PHE A 62 7.639 -3.319 5.064 1.00 0.00 C ATOM 904 C PHE A 62 8.846 -2.383 5.049 1.00 0.00 C ATOM 905 O PHE A 62 9.621 -2.369 4.090 1.00 0.00 O ATOM 906 CB PHE A 62 6.816 -3.115 3.788 1.00 0.00 C ATOM 907 CG PHE A 62 5.702 -4.111 3.608 1.00 0.00 C ATOM 908 CD1 PHE A 62 5.904 -5.453 3.881 1.00 0.00 C ATOM 909 CD2 PHE A 62 4.460 -3.704 3.149 1.00 0.00 C ATOM 910 CE1 PHE A 62 4.887 -6.369 3.710 1.00 0.00 C ATOM 911 CE2 PHE A 62 3.438 -4.616 2.973 1.00 0.00 C ATOM 912 CZ PHE A 62 3.654 -5.950 3.251 1.00 0.00 C ATOM 0 H PHE A 62 6.313 -2.215 6.261 1.00 0.00 H new ATOM 0 HA PHE A 62 8.003 -4.346 5.102 1.00 0.00 H new ATOM 0 HB2 PHE A 62 6.392 -2.111 3.799 1.00 0.00 H new ATOM 0 HB3 PHE A 62 7.482 -3.171 2.927 1.00 0.00 H new ATOM 0 HD1 PHE A 62 6.869 -5.787 4.232 1.00 0.00 H new ATOM 0 HD2 PHE A 62 4.289 -2.661 2.926 1.00 0.00 H new ATOM 0 HE1 PHE A 62 5.055 -7.412 3.935 1.00 0.00 H new ATOM 0 HE2 PHE A 62 2.473 -4.286 2.619 1.00 0.00 H new ATOM 0 HZ PHE A 62 2.859 -6.667 3.110 1.00 0.00 H new ATOM 922 N GLU A 63 9.002 -1.610 6.120 1.00 0.00 N ATOM 923 CA GLU A 63 10.108 -0.662 6.236 1.00 0.00 C ATOM 924 C GLU A 63 11.468 -1.345 6.132 1.00 0.00 C ATOM 925 O GLU A 63 12.418 -0.774 5.595 1.00 0.00 O ATOM 926 CB GLU A 63 10.036 0.079 7.567 1.00 0.00 C ATOM 927 CG GLU A 63 8.973 1.159 7.621 1.00 0.00 C ATOM 928 CD GLU A 63 8.820 1.742 9.008 1.00 0.00 C ATOM 929 OE1 GLU A 63 9.259 1.091 9.979 1.00 0.00 O ATOM 930 OE2 GLU A 63 8.253 2.844 9.139 1.00 0.00 O ATOM 0 H GLU A 63 8.374 -1.621 6.924 1.00 0.00 H new ATOM 0 HA GLU A 63 10.008 0.037 5.406 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.846 -0.642 8.362 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.007 0.530 7.772 1.00 0.00 H new ATOM 0 HG2 GLU A 63 9.230 1.954 6.921 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.019 0.744 7.296 1.00 0.00 H new ATOM 937 N ASN A 64 11.565 -2.562 6.635 1.00 0.00 N ATOM 938 CA ASN A 64 12.823 -3.291 6.607 1.00 0.00 C ATOM 939 C ASN A 64 12.702 -4.556 5.770 1.00 0.00 C ATOM 940 O ASN A 64 13.270 -5.595 6.105 1.00 0.00 O ATOM 941 CB ASN A 64 13.275 -3.635 8.032 1.00 0.00 C ATOM 942 CG ASN A 64 13.491 -2.396 8.879 1.00 0.00 C ATOM 943 OD1 ASN A 64 14.530 -1.745 8.795 1.00 0.00 O ATOM 944 ND2 ASN A 64 12.514 -2.066 9.710 1.00 0.00 N ATOM 0 H ASN A 64 10.791 -3.067 7.067 1.00 0.00 H new ATOM 0 HA ASN A 64 13.575 -2.650 6.147 1.00 0.00 H new ATOM 0 HB2 ASN A 64 12.527 -4.271 8.505 1.00 0.00 H new ATOM 0 HB3 ASN A 64 14.200 -4.210 7.989 1.00 0.00 H new ATOM 0 HD21 ASN A 64 12.609 -1.246 10.309 1.00 0.00 H new ATOM 0 HD22 ASN A 64 11.666 -2.632 9.751 1.00 0.00 H new ATOM 951 N MET A 65 11.940 -4.464 4.693 1.00 0.00 N ATOM 952 CA MET A 65 11.750 -5.587 3.791 1.00 0.00 C ATOM 953 C MET A 65 11.971 -5.136 2.357 1.00 0.00 C ATOM 954 O MET A 65 11.819 -3.953 2.041 1.00 0.00 O ATOM 955 CB MET A 65 10.349 -6.176 3.957 1.00 0.00 C ATOM 956 CG MET A 65 10.313 -7.391 4.868 1.00 0.00 C ATOM 957 SD MET A 65 8.642 -8.004 5.157 1.00 0.00 S ATOM 958 CE MET A 65 8.187 -8.542 3.509 1.00 0.00 C ATOM 0 H MET A 65 11.440 -3.617 4.421 1.00 0.00 H new ATOM 0 HA MET A 65 12.476 -6.363 4.034 1.00 0.00 H new ATOM 0 HB2 MET A 65 9.685 -5.410 4.358 1.00 0.00 H new ATOM 0 HB3 MET A 65 9.960 -6.453 2.977 1.00 0.00 H new ATOM 0 HG2 MET A 65 10.915 -8.186 4.428 1.00 0.00 H new ATOM 0 HG3 MET A 65 10.771 -7.136 5.824 1.00 0.00 H new ATOM 0 HE1 MET A 65 7.711 -9.521 3.564 1.00 0.00 H new ATOM 0 HE2 MET A 65 7.492 -7.825 3.071 1.00 0.00 H new ATOM 0 HE3 MET A 65 9.080 -8.607 2.888 1.00 0.00 H new ATOM 968 N SER A 66 12.362 -6.071 1.504 1.00 0.00 N ATOM 969 CA SER A 66 12.613 -5.787 0.100 1.00 0.00 C ATOM 970 C SER A 66 11.346 -5.276 -0.581 1.00 0.00 C ATOM 971 O SER A 66 10.243 -5.703 -0.244 1.00 0.00 O ATOM 972 CB SER A 66 13.112 -7.060 -0.584 1.00 0.00 C ATOM 973 OG SER A 66 13.363 -8.073 0.377 1.00 0.00 O ATOM 0 H SER A 66 12.514 -7.045 1.765 1.00 0.00 H new ATOM 0 HA SER A 66 13.372 -5.009 0.019 1.00 0.00 H new ATOM 0 HB2 SER A 66 12.371 -7.408 -1.303 1.00 0.00 H new ATOM 0 HB3 SER A 66 14.023 -6.847 -1.143 1.00 0.00 H new ATOM 0 HG SER A 66 13.680 -8.882 -0.076 1.00 0.00 H new ATOM 979 N ASN A 67 11.511 -4.370 -1.539 1.00 0.00 N ATOM 980 CA ASN A 67 10.381 -3.792 -2.267 1.00 0.00 C ATOM 981 C ASN A 67 9.524 -4.887 -2.896 1.00 0.00 C ATOM 982 O ASN A 67 8.300 -4.882 -2.772 1.00 0.00 O ATOM 983 CB ASN A 67 10.871 -2.842 -3.364 1.00 0.00 C ATOM 984 CG ASN A 67 11.759 -1.727 -2.844 1.00 0.00 C ATOM 985 OD1 ASN A 67 11.680 -1.335 -1.681 1.00 0.00 O ATOM 986 ND2 ASN A 67 12.618 -1.208 -3.707 1.00 0.00 N ATOM 0 H ASN A 67 12.422 -4.017 -1.833 1.00 0.00 H new ATOM 0 HA ASN A 67 9.779 -3.233 -1.551 1.00 0.00 H new ATOM 0 HB2 ASN A 67 11.420 -3.415 -4.112 1.00 0.00 H new ATOM 0 HB3 ASN A 67 10.009 -2.405 -3.867 1.00 0.00 H new ATOM 0 HD21 ASN A 67 13.243 -0.457 -3.415 1.00 0.00 H new ATOM 0 HD22 ASN A 67 12.655 -1.559 -4.664 1.00 0.00 H new ATOM 993 N ASP A 68 10.183 -5.836 -3.551 1.00 0.00 N ATOM 994 CA ASP A 68 9.488 -6.944 -4.201 1.00 0.00 C ATOM 995 C ASP A 68 8.825 -7.848 -3.172 1.00 0.00 C ATOM 996 O ASP A 68 7.699 -8.305 -3.361 1.00 0.00 O ATOM 997 CB ASP A 68 10.463 -7.758 -5.051 1.00 0.00 C ATOM 998 CG ASP A 68 10.259 -7.542 -6.535 1.00 0.00 C ATOM 999 OD1 ASP A 68 10.889 -6.620 -7.095 1.00 0.00 O ATOM 1000 OD2 ASP A 68 9.485 -8.299 -7.151 1.00 0.00 O ATOM 0 H ASP A 68 11.198 -5.862 -3.647 1.00 0.00 H new ATOM 0 HA ASP A 68 8.715 -6.525 -4.845 1.00 0.00 H new ATOM 0 HB2 ASP A 68 11.485 -7.488 -4.785 1.00 0.00 H new ATOM 0 HB3 ASP A 68 10.343 -8.817 -4.822 1.00 0.00 H new ATOM 1005 N ASP A 69 9.520 -8.083 -2.065 1.00 0.00 N ATOM 1006 CA ASP A 69 8.998 -8.940 -1.007 1.00 0.00 C ATOM 1007 C ASP A 69 7.788 -8.295 -0.350 1.00 0.00 C ATOM 1008 O ASP A 69 6.843 -8.977 0.048 1.00 0.00 O ATOM 1009 CB ASP A 69 10.073 -9.232 0.041 1.00 0.00 C ATOM 1010 CG ASP A 69 9.916 -10.614 0.645 1.00 0.00 C ATOM 1011 OD1 ASP A 69 9.354 -11.502 -0.033 1.00 0.00 O ATOM 1012 OD2 ASP A 69 10.361 -10.824 1.790 1.00 0.00 O ATOM 0 H ASP A 69 10.444 -7.693 -1.877 1.00 0.00 H new ATOM 0 HA ASP A 69 8.693 -9.884 -1.458 1.00 0.00 H new ATOM 0 HB2 ASP A 69 11.059 -9.146 -0.417 1.00 0.00 H new ATOM 0 HB3 ASP A 69 10.022 -8.483 0.831 1.00 0.00 H new ATOM 1017 N ALA A 70 7.823 -6.970 -0.249 1.00 0.00 N ATOM 1018 CA ALA A 70 6.726 -6.213 0.334 1.00 0.00 C ATOM 1019 C ALA A 70 5.463 -6.398 -0.496 1.00 0.00 C ATOM 1020 O ALA A 70 4.377 -6.617 0.042 1.00 0.00 O ATOM 1021 CB ALA A 70 7.098 -4.742 0.425 1.00 0.00 C ATOM 0 H ALA A 70 8.605 -6.397 -0.566 1.00 0.00 H new ATOM 0 HA ALA A 70 6.534 -6.583 1.341 1.00 0.00 H new ATOM 0 HB1 ALA A 70 6.270 -4.184 0.863 1.00 0.00 H new ATOM 0 HB2 ALA A 70 7.983 -4.629 1.051 1.00 0.00 H new ATOM 0 HB3 ALA A 70 7.307 -4.357 -0.573 1.00 0.00 H new ATOM 1027 N VAL A 71 5.623 -6.333 -1.813 1.00 0.00 N ATOM 1028 CA VAL A 71 4.503 -6.500 -2.728 1.00 0.00 C ATOM 1029 C VAL A 71 3.930 -7.913 -2.606 1.00 0.00 C ATOM 1030 O VAL A 71 2.716 -8.104 -2.658 1.00 0.00 O ATOM 1031 CB VAL A 71 4.919 -6.222 -4.192 1.00 0.00 C ATOM 1032 CG1 VAL A 71 3.775 -6.512 -5.154 1.00 0.00 C ATOM 1033 CG2 VAL A 71 5.382 -4.781 -4.349 1.00 0.00 C ATOM 0 H VAL A 71 6.519 -6.166 -2.270 1.00 0.00 H new ATOM 0 HA VAL A 71 3.738 -5.774 -2.453 1.00 0.00 H new ATOM 0 HB VAL A 71 5.746 -6.888 -4.436 1.00 0.00 H new ATOM 0 HG11 VAL A 71 4.097 -6.307 -6.175 1.00 0.00 H new ATOM 0 HG12 VAL A 71 3.484 -7.559 -5.068 1.00 0.00 H new ATOM 0 HG13 VAL A 71 2.923 -5.878 -4.908 1.00 0.00 H new ATOM 0 HG21 VAL A 71 5.671 -4.602 -5.385 1.00 0.00 H new ATOM 0 HG22 VAL A 71 4.570 -4.106 -4.077 1.00 0.00 H new ATOM 0 HG23 VAL A 71 6.237 -4.601 -3.698 1.00 0.00 H new ATOM 1043 N ARG A 72 4.812 -8.894 -2.421 1.00 0.00 N ATOM 1044 CA ARG A 72 4.397 -10.292 -2.280 1.00 0.00 C ATOM 1045 C ARG A 72 3.406 -10.454 -1.131 1.00 0.00 C ATOM 1046 O ARG A 72 2.334 -11.038 -1.300 1.00 0.00 O ATOM 1047 CB ARG A 72 5.608 -11.195 -2.038 1.00 0.00 C ATOM 1048 CG ARG A 72 6.503 -11.358 -3.255 1.00 0.00 C ATOM 1049 CD ARG A 72 7.783 -12.105 -2.912 1.00 0.00 C ATOM 1050 NE ARG A 72 8.785 -11.979 -3.971 1.00 0.00 N ATOM 1051 CZ ARG A 72 10.061 -11.649 -3.762 1.00 0.00 C ATOM 1052 NH1 ARG A 72 10.522 -11.477 -2.528 1.00 0.00 N ATOM 1053 NH2 ARG A 72 10.886 -11.503 -4.792 1.00 0.00 N ATOM 0 H ARG A 72 5.820 -8.748 -2.365 1.00 0.00 H new ATOM 0 HA ARG A 72 3.911 -10.586 -3.210 1.00 0.00 H new ATOM 0 HB2 ARG A 72 6.197 -10.785 -1.217 1.00 0.00 H new ATOM 0 HB3 ARG A 72 5.259 -12.178 -1.721 1.00 0.00 H new ATOM 0 HG2 ARG A 72 5.964 -11.897 -4.034 1.00 0.00 H new ATOM 0 HG3 ARG A 72 6.751 -10.377 -3.659 1.00 0.00 H new ATOM 0 HD2 ARG A 72 8.191 -11.718 -1.978 1.00 0.00 H new ATOM 0 HD3 ARG A 72 7.557 -13.159 -2.749 1.00 0.00 H new ATOM 0 HE ARG A 72 8.489 -12.155 -4.931 1.00 0.00 H new ATOM 0 HH11 ARG A 72 9.899 -11.597 -1.729 1.00 0.00 H new ATOM 0 HH12 ARG A 72 11.499 -11.225 -2.379 1.00 0.00 H new ATOM 0 HH21 ARG A 72 10.544 -11.643 -5.743 1.00 0.00 H new ATOM 0 HH22 ARG A 72 11.861 -11.251 -4.632 1.00 0.00 H new ATOM 1067 N VAL A 73 3.770 -9.932 0.036 1.00 0.00 N ATOM 1068 CA VAL A 73 2.909 -10.012 1.207 1.00 0.00 C ATOM 1069 C VAL A 73 1.670 -9.143 1.008 1.00 0.00 C ATOM 1070 O VAL A 73 0.564 -9.514 1.405 1.00 0.00 O ATOM 1071 CB VAL A 73 3.649 -9.572 2.491 1.00 0.00 C ATOM 1072 CG1 VAL A 73 2.760 -9.744 3.715 1.00 0.00 C ATOM 1073 CG2 VAL A 73 4.941 -10.357 2.663 1.00 0.00 C ATOM 0 H VAL A 73 4.655 -9.450 0.194 1.00 0.00 H new ATOM 0 HA VAL A 73 2.613 -11.054 1.327 1.00 0.00 H new ATOM 0 HB VAL A 73 3.896 -8.515 2.391 1.00 0.00 H new ATOM 0 HG11 VAL A 73 3.302 -9.428 4.606 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.863 -9.135 3.601 1.00 0.00 H new ATOM 0 HG13 VAL A 73 2.477 -10.792 3.815 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.446 -10.032 3.573 1.00 0.00 H new ATOM 0 HG22 VAL A 73 4.714 -11.421 2.735 1.00 0.00 H new ATOM 0 HG23 VAL A 73 5.590 -10.182 1.805 1.00 0.00 H new ATOM 1083 N LEU A 74 1.865 -7.992 0.375 1.00 0.00 N ATOM 1084 CA LEU A 74 0.772 -7.068 0.102 1.00 0.00 C ATOM 1085 C LEU A 74 -0.309 -7.749 -0.732 1.00 0.00 C ATOM 1086 O LEU A 74 -1.497 -7.605 -0.457 1.00 0.00 O ATOM 1087 CB LEU A 74 1.293 -5.828 -0.629 1.00 0.00 C ATOM 1088 CG LEU A 74 0.233 -4.783 -0.980 1.00 0.00 C ATOM 1089 CD1 LEU A 74 -0.288 -4.108 0.278 1.00 0.00 C ATOM 1090 CD2 LEU A 74 0.803 -3.755 -1.939 1.00 0.00 C ATOM 0 H LEU A 74 2.775 -7.676 0.040 1.00 0.00 H new ATOM 0 HA LEU A 74 0.338 -6.761 1.053 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.055 -5.355 -0.010 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.783 -6.148 -1.549 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.601 -5.287 -1.468 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -1.041 -3.368 0.008 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.733 -4.856 0.935 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.536 -3.616 0.795 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.037 -3.018 -2.180 1.00 0.00 H new ATOM 0 HD22 LEU A 74 1.653 -3.256 -1.474 1.00 0.00 H new ATOM 0 HD23 LEU A 74 1.129 -4.251 -2.853 1.00 0.00 H new ATOM 1102 N ARG A 75 0.119 -8.503 -1.746 1.00 0.00 N ATOM 1103 CA ARG A 75 -0.807 -9.223 -2.622 1.00 0.00 C ATOM 1104 C ARG A 75 -1.677 -10.179 -1.820 1.00 0.00 C ATOM 1105 O ARG A 75 -2.863 -10.331 -2.107 1.00 0.00 O ATOM 1106 CB ARG A 75 -0.047 -9.996 -3.702 1.00 0.00 C ATOM 1107 CG ARG A 75 0.696 -9.103 -4.676 1.00 0.00 C ATOM 1108 CD ARG A 75 1.047 -9.842 -5.952 1.00 0.00 C ATOM 1109 NE ARG A 75 0.124 -9.519 -7.040 1.00 0.00 N ATOM 1110 CZ ARG A 75 0.505 -9.068 -8.235 1.00 0.00 C ATOM 1111 NH1 ARG A 75 1.791 -8.866 -8.504 1.00 0.00 N ATOM 1112 NH2 ARG A 75 -0.402 -8.813 -9.165 1.00 0.00 N ATOM 0 H ARG A 75 1.103 -8.631 -1.981 1.00 0.00 H new ATOM 0 HA ARG A 75 -1.448 -8.485 -3.105 1.00 0.00 H new ATOM 0 HB2 ARG A 75 0.664 -10.669 -3.223 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -0.751 -10.618 -4.256 1.00 0.00 H new ATOM 0 HG2 ARG A 75 0.083 -8.234 -4.915 1.00 0.00 H new ATOM 0 HG3 ARG A 75 1.607 -8.731 -4.208 1.00 0.00 H new ATOM 0 HD2 ARG A 75 2.064 -9.588 -6.251 1.00 0.00 H new ATOM 0 HD3 ARG A 75 1.028 -10.916 -5.767 1.00 0.00 H new ATOM 0 HE ARG A 75 -0.874 -9.647 -6.874 1.00 0.00 H new ATOM 0 HH11 ARG A 75 2.497 -9.056 -7.793 1.00 0.00 H new ATOM 0 HH12 ARG A 75 2.072 -8.521 -9.422 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -1.391 -8.962 -8.967 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -0.111 -8.468 -10.080 1.00 0.00 H new ATOM 1126 N GLU A 76 -1.085 -10.805 -0.809 1.00 0.00 N ATOM 1127 CA GLU A 76 -1.810 -11.737 0.045 1.00 0.00 C ATOM 1128 C GLU A 76 -2.923 -11.017 0.800 1.00 0.00 C ATOM 1129 O GLU A 76 -4.044 -11.512 0.886 1.00 0.00 O ATOM 1130 CB GLU A 76 -0.858 -12.405 1.035 1.00 0.00 C ATOM 1131 CG GLU A 76 0.124 -13.356 0.378 1.00 0.00 C ATOM 1132 CD GLU A 76 -0.573 -14.437 -0.417 1.00 0.00 C ATOM 1133 OE1 GLU A 76 -1.327 -15.231 0.187 1.00 0.00 O ATOM 1134 OE2 GLU A 76 -0.369 -14.501 -1.648 1.00 0.00 O ATOM 0 H GLU A 76 -0.103 -10.683 -0.561 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.255 -12.504 -0.589 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -0.303 -11.635 1.571 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -1.441 -12.951 1.776 1.00 0.00 H new ATOM 0 HG2 GLU A 76 0.787 -12.794 -0.280 1.00 0.00 H new ATOM 0 HG3 GLU A 76 0.749 -13.816 1.143 1.00 0.00 H new ATOM 1141 N ILE A 77 -2.600 -9.843 1.330 1.00 0.00 N ATOM 1142 CA ILE A 77 -3.564 -9.036 2.074 1.00 0.00 C ATOM 1143 C ILE A 77 -4.630 -8.473 1.138 1.00 0.00 C ATOM 1144 O ILE A 77 -5.820 -8.461 1.461 1.00 0.00 O ATOM 1145 CB ILE A 77 -2.867 -7.869 2.805 1.00 0.00 C ATOM 1146 CG1 ILE A 77 -1.707 -8.394 3.656 1.00 0.00 C ATOM 1147 CG2 ILE A 77 -3.864 -7.106 3.671 1.00 0.00 C ATOM 1148 CD1 ILE A 77 -0.693 -7.331 4.021 1.00 0.00 C ATOM 0 H ILE A 77 -1.672 -9.425 1.258 1.00 0.00 H new ATOM 0 HA ILE A 77 -4.033 -9.687 2.812 1.00 0.00 H new ATOM 0 HB ILE A 77 -2.468 -7.182 2.059 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -2.107 -8.831 4.571 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -1.203 -9.194 3.114 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -3.354 -6.287 4.178 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -4.659 -6.704 3.043 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -4.293 -7.780 4.412 1.00 0.00 H new ATOM 0 HD11 ILE A 77 0.099 -7.775 4.624 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -0.264 -6.910 3.112 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -1.183 -6.541 4.591 1.00 0.00 H new ATOM 1160 N VAL A 78 -4.195 -8.023 -0.031 1.00 0.00 N ATOM 1161 CA VAL A 78 -5.088 -7.452 -1.033 1.00 0.00 C ATOM 1162 C VAL A 78 -6.068 -8.505 -1.555 1.00 0.00 C ATOM 1163 O VAL A 78 -7.249 -8.220 -1.766 1.00 0.00 O ATOM 1164 CB VAL A 78 -4.271 -6.848 -2.203 1.00 0.00 C ATOM 1165 CG1 VAL A 78 -5.140 -6.570 -3.425 1.00 0.00 C ATOM 1166 CG2 VAL A 78 -3.574 -5.576 -1.746 1.00 0.00 C ATOM 0 H VAL A 78 -3.215 -8.043 -0.312 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.664 -6.656 -0.561 1.00 0.00 H new ATOM 0 HB VAL A 78 -3.524 -7.584 -2.500 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.525 -6.147 -4.220 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -5.591 -7.501 -3.770 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.926 -5.863 -3.159 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -3.002 -5.157 -2.574 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.319 -4.851 -1.416 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -2.901 -5.806 -0.920 1.00 0.00 H new ATOM 1176 N SER A 79 -5.582 -9.727 -1.729 1.00 0.00 N ATOM 1177 CA SER A 79 -6.413 -10.820 -2.222 1.00 0.00 C ATOM 1178 C SER A 79 -7.090 -11.564 -1.071 1.00 0.00 C ATOM 1179 O SER A 79 -7.589 -12.674 -1.244 1.00 0.00 O ATOM 1180 CB SER A 79 -5.570 -11.788 -3.060 1.00 0.00 C ATOM 1181 OG SER A 79 -4.726 -11.079 -3.956 1.00 0.00 O ATOM 0 H SER A 79 -4.615 -9.988 -1.536 1.00 0.00 H new ATOM 0 HA SER A 79 -7.195 -10.394 -2.851 1.00 0.00 H new ATOM 0 HB2 SER A 79 -4.966 -12.413 -2.403 1.00 0.00 H new ATOM 0 HB3 SER A 79 -6.225 -12.455 -3.621 1.00 0.00 H new ATOM 0 HG SER A 79 -3.922 -10.781 -3.481 1.00 0.00 H new ATOM 1187 N GLN A 80 -7.108 -10.950 0.104 1.00 0.00 N ATOM 1188 CA GLN A 80 -7.729 -11.562 1.269 1.00 0.00 C ATOM 1189 C GLN A 80 -8.870 -10.692 1.773 1.00 0.00 C ATOM 1190 O GLN A 80 -8.905 -9.486 1.515 1.00 0.00 O ATOM 1191 CB GLN A 80 -6.699 -11.779 2.379 1.00 0.00 C ATOM 1192 CG GLN A 80 -6.675 -13.204 2.915 1.00 0.00 C ATOM 1193 CD GLN A 80 -6.398 -14.240 1.839 1.00 0.00 C ATOM 1194 OE1 GLN A 80 -6.965 -15.333 1.855 1.00 0.00 O ATOM 1195 NE2 GLN A 80 -5.518 -13.915 0.906 1.00 0.00 N ATOM 0 H GLN A 80 -6.701 -10.031 0.275 1.00 0.00 H new ATOM 0 HA GLN A 80 -8.128 -12.533 0.976 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -5.709 -11.525 2.000 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -6.911 -11.094 3.200 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -5.913 -13.281 3.691 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -7.633 -13.425 3.386 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -5.068 -13.000 0.926 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -5.289 -14.580 0.167 1.00 0.00 H new ATOM 1204 N THR A 81 -9.799 -11.305 2.483 1.00 0.00 N ATOM 1205 CA THR A 81 -10.945 -10.597 3.019 1.00 0.00 C ATOM 1206 C THR A 81 -10.635 -9.994 4.386 1.00 0.00 C ATOM 1207 O THR A 81 -9.878 -10.570 5.175 1.00 0.00 O ATOM 1208 CB THR A 81 -12.153 -11.541 3.130 1.00 0.00 C ATOM 1209 OG1 THR A 81 -11.697 -12.885 3.322 1.00 0.00 O ATOM 1210 CG2 THR A 81 -13.010 -11.471 1.879 1.00 0.00 C ATOM 0 H THR A 81 -9.781 -12.301 2.703 1.00 0.00 H new ATOM 0 HA THR A 81 -11.183 -9.785 2.332 1.00 0.00 H new ATOM 0 HB THR A 81 -12.757 -11.230 3.983 1.00 0.00 H new ATOM 0 HG1 THR A 81 -11.076 -12.915 4.080 1.00 0.00 H new ATOM 0 HG21 THR A 81 -13.859 -12.147 1.981 1.00 0.00 H new ATOM 0 HG22 THR A 81 -13.373 -10.452 1.743 1.00 0.00 H new ATOM 0 HG23 THR A 81 -12.415 -11.763 1.014 1.00 0.00 H new ATOM 1218 N GLY A 82 -11.214 -8.836 4.654 1.00 0.00 N ATOM 1219 CA GLY A 82 -10.997 -8.159 5.914 1.00 0.00 C ATOM 1220 C GLY A 82 -10.673 -6.695 5.709 1.00 0.00 C ATOM 1221 O GLY A 82 -10.525 -6.254 4.567 1.00 0.00 O ATOM 0 H GLY A 82 -11.838 -8.347 4.013 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -11.887 -8.252 6.536 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -10.181 -8.641 6.452 1.00 0.00 H new ATOM 1225 N PRO A 83 -10.582 -5.907 6.788 1.00 0.00 N ATOM 1226 CA PRO A 83 -10.260 -4.486 6.696 1.00 0.00 C ATOM 1227 C PRO A 83 -8.768 -4.262 6.461 1.00 0.00 C ATOM 1228 O PRO A 83 -7.924 -4.853 7.142 1.00 0.00 O ATOM 1229 CB PRO A 83 -10.685 -3.936 8.057 1.00 0.00 C ATOM 1230 CG PRO A 83 -10.558 -5.088 8.996 1.00 0.00 C ATOM 1231 CD PRO A 83 -10.791 -6.340 8.184 1.00 0.00 C ATOM 0 HA PRO A 83 -10.760 -3.998 5.860 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -10.049 -3.105 8.363 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -11.708 -3.561 8.029 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -9.570 -5.104 9.457 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -11.285 -5.010 9.804 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -10.096 -7.132 8.464 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -11.797 -6.731 8.334 1.00 0.00 H new ATOM 1239 N ILE A 84 -8.446 -3.424 5.488 1.00 0.00 N ATOM 1240 CA ILE A 84 -7.057 -3.135 5.166 1.00 0.00 C ATOM 1241 C ILE A 84 -6.623 -1.813 5.786 1.00 0.00 C ATOM 1242 O ILE A 84 -7.229 -0.774 5.540 1.00 0.00 O ATOM 1243 CB ILE A 84 -6.830 -3.108 3.637 1.00 0.00 C ATOM 1244 CG1 ILE A 84 -7.013 -4.516 3.062 1.00 0.00 C ATOM 1245 CG2 ILE A 84 -5.444 -2.572 3.301 1.00 0.00 C ATOM 1246 CD1 ILE A 84 -7.075 -4.556 1.551 1.00 0.00 C ATOM 0 H ILE A 84 -9.126 -2.933 4.908 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.448 -3.935 5.586 1.00 0.00 H new ATOM 0 HB ILE A 84 -7.565 -2.440 3.188 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -6.190 -5.146 3.399 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -7.930 -4.947 3.465 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -5.310 -2.563 2.219 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -5.343 -1.558 3.687 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -4.687 -3.211 3.756 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -7.205 -5.586 1.219 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -7.916 -3.954 1.205 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -6.149 -4.157 1.138 1.00 0.00 H new ATOM 1258 N SER A 85 -5.584 -1.869 6.602 1.00 0.00 N ATOM 1259 CA SER A 85 -5.061 -0.685 7.263 1.00 0.00 C ATOM 1260 C SER A 85 -3.731 -0.282 6.632 1.00 0.00 C ATOM 1261 O SER A 85 -2.736 -1.002 6.738 1.00 0.00 O ATOM 1262 CB SER A 85 -4.902 -0.951 8.760 1.00 0.00 C ATOM 1263 OG SER A 85 -6.113 -1.456 9.306 1.00 0.00 O ATOM 0 H SER A 85 -5.083 -2.729 6.824 1.00 0.00 H new ATOM 0 HA SER A 85 -5.762 0.140 7.137 1.00 0.00 H new ATOM 0 HB2 SER A 85 -4.096 -1.666 8.925 1.00 0.00 H new ATOM 0 HB3 SER A 85 -4.621 -0.030 9.271 1.00 0.00 H new ATOM 0 HG SER A 85 -5.995 -1.623 10.264 1.00 0.00 H new ATOM 1269 N LEU A 86 -3.722 0.868 5.971 1.00 0.00 N ATOM 1270 CA LEU A 86 -2.529 1.357 5.301 1.00 0.00 C ATOM 1271 C LEU A 86 -1.874 2.484 6.083 1.00 0.00 C ATOM 1272 O LEU A 86 -2.512 3.485 6.403 1.00 0.00 O ATOM 1273 CB LEU A 86 -2.869 1.863 3.897 1.00 0.00 C ATOM 1274 CG LEU A 86 -3.338 0.802 2.901 1.00 0.00 C ATOM 1275 CD1 LEU A 86 -3.514 1.411 1.520 1.00 0.00 C ATOM 1276 CD2 LEU A 86 -2.355 -0.352 2.843 1.00 0.00 C ATOM 0 H LEU A 86 -4.533 1.481 5.886 1.00 0.00 H new ATOM 0 HA LEU A 86 -1.833 0.521 5.235 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -3.647 2.622 3.984 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -1.988 2.355 3.486 1.00 0.00 H new ATOM 0 HG LEU A 86 -4.300 0.419 3.240 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -3.848 0.642 0.823 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -4.257 2.207 1.565 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -2.563 1.821 1.179 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -2.708 -1.095 2.128 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -1.378 0.017 2.530 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -2.271 -0.808 3.829 1.00 0.00 H new ATOM 1288 N THR A 87 -0.602 2.312 6.388 1.00 0.00 N ATOM 1289 CA THR A 87 0.157 3.328 7.089 1.00 0.00 C ATOM 1290 C THR A 87 1.097 4.003 6.100 1.00 0.00 C ATOM 1291 O THR A 87 2.172 3.479 5.797 1.00 0.00 O ATOM 1292 CB THR A 87 0.966 2.729 8.251 1.00 0.00 C ATOM 1293 OG1 THR A 87 0.192 1.719 8.910 1.00 0.00 O ATOM 1294 CG2 THR A 87 1.356 3.805 9.251 1.00 0.00 C ATOM 0 H THR A 87 -0.070 1.472 6.159 1.00 0.00 H new ATOM 0 HA THR A 87 -0.538 4.053 7.512 1.00 0.00 H new ATOM 0 HB THR A 87 1.876 2.288 7.844 1.00 0.00 H new ATOM 0 HG1 THR A 87 0.239 0.885 8.398 1.00 0.00 H new ATOM 0 HG21 THR A 87 1.927 3.357 10.064 1.00 0.00 H new ATOM 0 HG22 THR A 87 1.964 4.561 8.754 1.00 0.00 H new ATOM 0 HG23 THR A 87 0.457 4.271 9.654 1.00 0.00 H new ATOM 1302 N VAL A 88 0.674 5.147 5.573 1.00 0.00 N ATOM 1303 CA VAL A 88 1.468 5.865 4.585 1.00 0.00 C ATOM 1304 C VAL A 88 2.221 7.047 5.189 1.00 0.00 C ATOM 1305 O VAL A 88 1.733 7.720 6.099 1.00 0.00 O ATOM 1306 CB VAL A 88 0.604 6.371 3.407 1.00 0.00 C ATOM 1307 CG1 VAL A 88 0.136 5.209 2.548 1.00 0.00 C ATOM 1308 CG2 VAL A 88 -0.581 7.173 3.913 1.00 0.00 C ATOM 0 H VAL A 88 -0.211 5.595 5.813 1.00 0.00 H new ATOM 0 HA VAL A 88 2.194 5.141 4.214 1.00 0.00 H new ATOM 0 HB VAL A 88 1.220 7.026 2.791 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -0.470 5.586 1.725 1.00 0.00 H new ATOM 0 HG12 VAL A 88 1.001 4.680 2.149 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -0.459 4.526 3.153 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -1.174 7.519 3.067 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -1.198 6.545 4.556 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -0.223 8.032 4.480 1.00 0.00 H new ATOM 1318 N ALA A 89 3.420 7.274 4.680 1.00 0.00 N ATOM 1319 CA ALA A 89 4.257 8.368 5.123 1.00 0.00 C ATOM 1320 C ALA A 89 4.352 9.411 4.019 1.00 0.00 C ATOM 1321 O ALA A 89 4.883 9.143 2.936 1.00 0.00 O ATOM 1322 CB ALA A 89 5.638 7.859 5.507 1.00 0.00 C ATOM 0 H ALA A 89 3.838 6.702 3.947 1.00 0.00 H new ATOM 0 HA ALA A 89 3.813 8.827 6.006 1.00 0.00 H new ATOM 0 HB1 ALA A 89 6.255 8.695 5.838 1.00 0.00 H new ATOM 0 HB2 ALA A 89 5.547 7.133 6.315 1.00 0.00 H new ATOM 0 HB3 ALA A 89 6.104 7.384 4.644 1.00 0.00 H new ATOM 1328 N LYS A 90 3.810 10.581 4.288 1.00 0.00 N ATOM 1329 CA LYS A 90 3.809 11.669 3.332 1.00 0.00 C ATOM 1330 C LYS A 90 4.949 12.628 3.624 1.00 0.00 C ATOM 1331 O LYS A 90 5.170 12.943 4.816 1.00 0.00 O ATOM 1332 CB LYS A 90 2.473 12.411 3.384 1.00 0.00 C ATOM 1333 CG LYS A 90 1.268 11.481 3.407 1.00 0.00 C ATOM 1334 CD LYS A 90 -0.030 12.251 3.579 1.00 0.00 C ATOM 1335 CE LYS A 90 -0.386 13.049 2.334 1.00 0.00 C ATOM 1336 NZ LYS A 90 -0.869 12.182 1.228 1.00 0.00 N ATOM 1337 OXT LYS A 90 5.616 13.067 2.667 1.00 0.00 O ATOM 0 H LYS A 90 3.358 10.804 5.175 1.00 0.00 H new ATOM 0 HA LYS A 90 3.947 11.257 2.332 1.00 0.00 H new ATOM 0 HB2 LYS A 90 2.451 13.044 4.271 1.00 0.00 H new ATOM 0 HB3 LYS A 90 2.398 13.071 2.519 1.00 0.00 H new ATOM 0 HG2 LYS A 90 1.232 10.909 2.480 1.00 0.00 H new ATOM 0 HG3 LYS A 90 1.377 10.764 4.221 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -0.837 11.555 3.807 1.00 0.00 H new ATOM 0 HD3 LYS A 90 0.059 12.926 4.430 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -1.155 13.781 2.582 1.00 0.00 H new ATOM 0 HE3 LYS A 90 0.489 13.607 2.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -1.333 12.768 0.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -0.063 11.681 0.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -1.549 11.490 1.601 1.00 0.00 H new TER 1351 LYS A 90 HETATM 1352 C20 SUZ A 91 3.244 -3.786 -8.527 1.00 20.00 C HETATM 1353 C19 SUZ A 91 2.204 -2.873 -8.595 1.00 20.00 C HETATM 1354 C5 SUZ A 91 1.166 -3.030 -9.570 1.00 20.00 C HETATM 1355 C6 SUZ A 91 -0.174 -2.362 -9.325 1.00 20.00 C HETATM 1356 C7 SUZ A 91 -1.054 -2.716 -8.200 1.00 20.00 C HETATM 1357 C18 SUZ A 91 -0.711 -3.802 -7.147 1.00 20.00 C HETATM 1358 C17 SUZ A 91 0.315 -4.759 -6.967 1.00 20.00 C HETATM 1359 C16 SUZ A 91 0.278 -5.566 -5.882 1.00 20.00 C HETATM 1360 C15 SUZ A 91 -0.751 -5.473 -4.945 1.00 20.00 C HETATM 1361 F SUZ A 91 -0.752 -6.292 -3.882 1.00 20.00 F HETATM 1362 C14 SUZ A 91 -1.770 -4.543 -5.101 1.00 20.00 C HETATM 1363 C13 SUZ A 91 -1.741 -3.722 -6.196 1.00 20.00 C HETATM 1364 C10 SUZ A 91 -2.693 -2.617 -6.646 1.00 20.00 C HETATM 1365 C11 SUZ A 91 -3.868 -2.203 -5.710 1.00 20.00 C HETATM 1366 C12 SUZ A 91 -5.225 -2.399 -6.370 1.00 20.00 C HETATM 1367 O3 SUZ A 91 -5.497 -1.721 -7.473 1.00 20.00 O HETATM 1368 O2 SUZ A 91 -6.080 -3.161 -5.894 1.00 20.00 O HETATM 1369 C8 SUZ A 91 -2.320 -2.029 -7.803 1.00 20.00 C HETATM 1370 C9 SUZ A 91 -3.028 -0.940 -8.509 1.00 20.00 C HETATM 1371 C4 SUZ A 91 1.216 -4.108 -10.441 1.00 20.00 C HETATM 1372 C3 SUZ A 91 2.286 -5.043 -10.373 1.00 20.00 C HETATM 1373 C2 SUZ A 91 3.289 -4.884 -9.427 1.00 20.00 C HETATM 1374 S SUZ A 91 4.614 -6.003 -9.309 1.00 20.00 S HETATM 1375 O1 SUZ A 91 4.244 -7.235 -8.670 1.00 20.00 O HETATM 1376 C1 SUZ A 91 5.734 -5.144 -8.246 1.00 20.00 C HETATM 0 H11A SUZ A 91 -3.824 -2.790 -4.793 1.00 20.00 H new HETATM 0 H9B SUZ A 91 -2.372 -0.073 -8.592 1.00 20.00 H new HETATM 0 H9A SUZ A 91 -3.312 -1.277 -9.506 1.00 20.00 H new HETATM 0 H9 SUZ A 91 -3.923 -0.666 -7.950 1.00 20.00 H new HETATM 0 H6 SUZ A 91 -0.500 -1.583 -10.015 1.00 20.00 H new HETATM 0 H4 SUZ A 91 0.429 -4.240 -11.184 1.00 20.00 H new HETATM 0 H3 SUZ A 91 2.318 -5.885 -11.064 1.00 20.00 H new HETATM 0 H20 SUZ A 91 4.029 -3.661 -7.781 1.00 20.00 H new HETATM 0 H1B SUZ A 91 6.584 -5.787 -8.018 1.00 20.00 H new HETATM 0 H1A SUZ A 91 6.086 -4.240 -8.743 1.00 20.00 H new HETATM 0 H19 SUZ A 91 2.175 -2.031 -7.903 1.00 20.00 H new HETATM 0 H17 SUZ A 91 1.124 -4.845 -7.692 1.00 20.00 H new HETATM 0 H16 SUZ A 91 1.068 -6.303 -5.737 1.00 20.00 H new HETATM 0 H14 SUZ A 91 -2.574 -4.468 -4.369 1.00 20.00 H new HETATM 0 H11 SUZ A 91 -3.752 -1.157 -5.425 1.00 20.00 H new HETATM 0 H1 SUZ A 91 5.224 -4.875 -7.321 1.00 20.00 H new