USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 685 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 83 HIS : no HE2:sc= 0.577 K(o=1.2,f=-1.2!) USER MOD Set 1.2: A 87 SER OG : rot 180:sc= 0.615 USER MOD Single : A 1 MET CE :methyl 137:sc= -0.128 (180deg=-1.88) USER MOD Single : A 1 MET N :NH3+ -127:sc= 0.1 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= 0.967 K(o=0.97,f=-0.014) USER MOD Single : A 4 TYR OH : rot 125:sc= 1.88 USER MOD Single : A 13 GLN : amide:sc= -0.0161 K(o=-0.016,f=-3.9!) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= 0.489 K(o=0.49,f=-2.6) USER MOD Single : A 23 MET CE :methyl 153:sc= -0.302 (180deg=-1.79!) USER MOD Single : A 27 LYS NZ :NH3+ 176:sc= 1 (180deg=0.967) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 177:sc= 0.925 (180deg=0.917) USER MOD Single : A 36 ASN : amide:sc= 0.0827 X(o=0.083,f=0) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 GLN : amide:sc= 1.18 K(o=1.2,f=-0.41) USER MOD Single : A 55 SER OG : rot 90:sc= 1.24 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= 0.733 K(o=0.73,f=-0.039) USER MOD Single : A 64 SER OG : rot -174:sc= 0.332 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0161) USER MOD Single : A 70 THR OG1 : rot 180:sc=-0.00519 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc=-0.000455 USER MOD Single : A 79 SER OG : rot 180:sc= 0.0205 USER MOD Single : A 84 HIS : no HE2:sc= 0.43 K(o=0.43,f=-2.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.026 -0.730 1.579 1.00 0.00 N ATOM 2 CA MET A 1 2.527 -0.244 0.266 1.00 0.00 C ATOM 3 C MET A 1 2.811 -1.298 -0.825 1.00 0.00 C ATOM 4 O MET A 1 3.532 -2.262 -0.565 1.00 0.00 O ATOM 5 CB MET A 1 3.100 1.151 -0.067 1.00 0.00 C ATOM 6 CG MET A 1 2.054 2.022 -0.774 1.00 0.00 C ATOM 7 SD MET A 1 2.660 3.550 -1.542 1.00 0.00 S ATOM 8 CE MET A 1 3.831 2.867 -2.747 1.00 0.00 C ATOM 0 H1 MET A 1 2.261 -0.678 2.282 1.00 0.00 H new ATOM 0 H2 MET A 1 3.345 -1.716 1.486 1.00 0.00 H new ATOM 0 H3 MET A 1 3.822 -0.136 1.889 1.00 0.00 H new ATOM 0 HA MET A 1 1.446 -0.115 0.314 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.427 1.642 0.850 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.979 1.044 -0.703 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.573 1.420 -1.545 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.284 2.286 -0.049 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.720 3.388 -3.698 1.00 0.00 H new ATOM 0 HE2 MET A 1 4.849 2.996 -2.379 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.629 1.805 -2.890 1.00 0.00 H new ATOM 20 N LEU A 2 2.227 -1.179 -2.028 1.00 0.00 N ATOM 21 CA LEU A 2 2.058 -2.289 -2.972 1.00 0.00 C ATOM 22 C LEU A 2 2.595 -1.941 -4.366 1.00 0.00 C ATOM 23 O LEU A 2 3.044 -0.819 -4.613 1.00 0.00 O ATOM 24 CB LEU A 2 0.556 -2.659 -3.020 1.00 0.00 C ATOM 25 CG LEU A 2 0.197 -3.944 -2.257 1.00 0.00 C ATOM 26 CD1 LEU A 2 0.553 -3.905 -0.767 1.00 0.00 C ATOM 27 CD2 LEU A 2 -1.291 -4.250 -2.426 1.00 0.00 C ATOM 0 H LEU A 2 1.854 -0.295 -2.375 1.00 0.00 H new ATOM 0 HA LEU A 2 2.639 -3.146 -2.631 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -0.023 -1.832 -2.609 1.00 0.00 H new ATOM 0 HB3 LEU A 2 0.255 -2.772 -4.061 1.00 0.00 H new ATOM 0 HG LEU A 2 0.805 -4.736 -2.694 1.00 0.00 H new ATOM 0 HD11 LEU A 2 0.268 -4.848 -0.300 1.00 0.00 H new ATOM 0 HD12 LEU A 2 1.626 -3.753 -0.653 1.00 0.00 H new ATOM 0 HD13 LEU A 2 0.018 -3.086 -0.286 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -1.539 -5.162 -1.883 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -1.880 -3.422 -2.032 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -1.517 -4.385 -3.484 1.00 0.00 H new ATOM 39 N GLN A 3 2.543 -2.913 -5.283 1.00 0.00 N ATOM 40 CA GLN A 3 2.968 -2.809 -6.675 1.00 0.00 C ATOM 41 C GLN A 3 2.047 -3.668 -7.553 1.00 0.00 C ATOM 42 O GLN A 3 1.503 -4.661 -7.068 1.00 0.00 O ATOM 43 CB GLN A 3 4.445 -3.262 -6.750 1.00 0.00 C ATOM 44 CG GLN A 3 4.951 -3.622 -8.159 1.00 0.00 C ATOM 45 CD GLN A 3 6.464 -3.788 -8.210 1.00 0.00 C ATOM 46 OE1 GLN A 3 6.991 -4.897 -8.236 1.00 0.00 O ATOM 47 NE2 GLN A 3 7.181 -2.681 -8.233 1.00 0.00 N ATOM 0 H GLN A 3 2.184 -3.841 -5.058 1.00 0.00 H new ATOM 0 HA GLN A 3 2.897 -1.786 -7.044 1.00 0.00 H new ATOM 0 HB2 GLN A 3 5.073 -2.467 -6.348 1.00 0.00 H new ATOM 0 HB3 GLN A 3 4.576 -4.129 -6.102 1.00 0.00 H new ATOM 0 HG2 GLN A 3 4.476 -4.547 -8.487 1.00 0.00 H new ATOM 0 HG3 GLN A 3 4.650 -2.843 -8.860 1.00 0.00 H new ATOM 0 HE21 GLN A 3 6.718 -1.773 -8.210 1.00 0.00 H new ATOM 0 HE22 GLN A 3 8.199 -2.733 -8.273 1.00 0.00 H new ATOM 56 N TYR A 4 1.949 -3.346 -8.850 1.00 0.00 N ATOM 57 CA TYR A 4 1.439 -4.260 -9.874 1.00 0.00 C ATOM 58 C TYR A 4 2.494 -4.494 -10.957 1.00 0.00 C ATOM 59 O TYR A 4 3.422 -3.697 -11.129 1.00 0.00 O ATOM 60 CB TYR A 4 0.085 -3.795 -10.470 1.00 0.00 C ATOM 61 CG TYR A 4 0.028 -2.477 -11.251 1.00 0.00 C ATOM 62 CD1 TYR A 4 0.904 -2.199 -12.323 1.00 0.00 C ATOM 63 CD2 TYR A 4 -0.979 -1.537 -10.947 1.00 0.00 C ATOM 64 CE1 TYR A 4 0.872 -0.958 -12.974 1.00 0.00 C ATOM 65 CE2 TYR A 4 -1.030 -0.295 -11.605 1.00 0.00 C ATOM 66 CZ TYR A 4 -0.073 0.013 -12.596 1.00 0.00 C ATOM 67 OH TYR A 4 -0.026 1.235 -13.188 1.00 0.00 O ATOM 0 H TYR A 4 2.224 -2.436 -9.218 1.00 0.00 H new ATOM 0 HA TYR A 4 1.235 -5.214 -9.388 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -0.271 -4.585 -11.131 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -0.628 -3.721 -9.649 1.00 0.00 H new ATOM 0 HD1 TYR A 4 1.608 -2.952 -12.645 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -1.721 -1.774 -10.199 1.00 0.00 H new ATOM 0 HE1 TYR A 4 1.574 -0.747 -13.767 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -1.799 0.421 -11.353 1.00 0.00 H new ATOM 0 HH TYR A 4 -0.897 1.438 -13.589 1.00 0.00 H new ATOM 77 N ARG A 5 2.259 -5.524 -11.769 1.00 0.00 N ATOM 78 CA ARG A 5 2.685 -5.601 -13.162 1.00 0.00 C ATOM 79 C ARG A 5 1.433 -5.954 -13.951 1.00 0.00 C ATOM 80 O ARG A 5 0.600 -6.721 -13.470 1.00 0.00 O ATOM 81 CB ARG A 5 3.772 -6.668 -13.373 1.00 0.00 C ATOM 82 CG ARG A 5 5.182 -6.112 -13.129 1.00 0.00 C ATOM 83 CD ARG A 5 6.265 -7.179 -13.348 1.00 0.00 C ATOM 84 NE ARG A 5 6.260 -7.709 -14.728 1.00 0.00 N ATOM 85 CZ ARG A 5 6.258 -8.995 -15.102 1.00 0.00 C ATOM 86 NH1 ARG A 5 6.279 -9.984 -14.211 1.00 0.00 N ATOM 87 NH2 ARG A 5 6.233 -9.263 -16.398 1.00 0.00 N ATOM 0 H ARG A 5 1.750 -6.354 -11.463 1.00 0.00 H new ATOM 0 HA ARG A 5 3.126 -4.658 -13.485 1.00 0.00 H new ATOM 0 HB2 ARG A 5 3.592 -7.506 -12.700 1.00 0.00 H new ATOM 0 HB3 ARG A 5 3.706 -7.056 -14.390 1.00 0.00 H new ATOM 0 HG2 ARG A 5 5.361 -5.270 -13.798 1.00 0.00 H new ATOM 0 HG3 ARG A 5 5.250 -5.729 -12.111 1.00 0.00 H new ATOM 0 HD2 ARG A 5 7.243 -6.751 -13.129 1.00 0.00 H new ATOM 0 HD3 ARG A 5 6.112 -7.999 -12.646 1.00 0.00 H new ATOM 0 HE ARG A 5 6.258 -7.019 -15.479 1.00 0.00 H new ATOM 0 HH11 ARG A 5 6.297 -9.772 -13.214 1.00 0.00 H new ATOM 0 HH12 ARG A 5 6.277 -10.954 -14.526 1.00 0.00 H new ATOM 0 HH21 ARG A 5 6.216 -8.501 -17.076 1.00 0.00 H new ATOM 0 HH22 ARG A 5 6.231 -10.231 -16.719 1.00 0.00 H new ATOM 101 N ILE A 6 1.291 -5.402 -15.147 1.00 0.00 N ATOM 102 CA ILE A 6 0.129 -5.581 -16.006 1.00 0.00 C ATOM 103 C ILE A 6 0.697 -5.779 -17.404 1.00 0.00 C ATOM 104 O ILE A 6 1.624 -5.064 -17.785 1.00 0.00 O ATOM 105 CB ILE A 6 -0.790 -4.335 -15.919 1.00 0.00 C ATOM 106 CG1 ILE A 6 -1.366 -4.148 -14.500 1.00 0.00 C ATOM 107 CG2 ILE A 6 -1.923 -4.398 -16.959 1.00 0.00 C ATOM 108 CD1 ILE A 6 -2.114 -2.830 -14.297 1.00 0.00 C ATOM 0 H ILE A 6 2.003 -4.799 -15.559 1.00 0.00 H new ATOM 0 HA ILE A 6 -0.488 -6.431 -15.715 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.170 -3.467 -16.145 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -2.043 -4.974 -14.283 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -0.551 -4.205 -13.778 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -2.548 -3.509 -16.870 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -1.495 -4.442 -17.961 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -2.529 -5.287 -16.783 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -2.487 -2.777 -13.274 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -1.437 -1.996 -14.480 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -2.952 -2.776 -14.992 1.00 0.00 H new ATOM 120 N ILE A 7 0.136 -6.706 -18.175 1.00 0.00 N ATOM 121 CA ILE A 7 0.479 -6.929 -19.573 1.00 0.00 C ATOM 122 C ILE A 7 -0.849 -6.962 -20.325 1.00 0.00 C ATOM 123 O ILE A 7 -1.797 -7.604 -19.865 1.00 0.00 O ATOM 124 CB ILE A 7 1.292 -8.234 -19.817 1.00 0.00 C ATOM 125 CG1 ILE A 7 1.590 -9.139 -18.595 1.00 0.00 C ATOM 126 CG2 ILE A 7 2.586 -7.896 -20.576 1.00 0.00 C ATOM 127 CD1 ILE A 7 2.762 -8.705 -17.703 1.00 0.00 C ATOM 0 H ILE A 7 -0.588 -7.338 -17.834 1.00 0.00 H new ATOM 0 HA ILE A 7 1.136 -6.133 -19.923 1.00 0.00 H new ATOM 0 HB ILE A 7 0.621 -8.856 -20.410 1.00 0.00 H new ATOM 0 HG12 ILE A 7 0.692 -9.192 -17.980 1.00 0.00 H new ATOM 0 HG13 ILE A 7 1.789 -10.148 -18.956 1.00 0.00 H new ATOM 0 HG21 ILE A 7 3.156 -8.809 -20.747 1.00 0.00 H new ATOM 0 HG22 ILE A 7 2.337 -7.438 -21.533 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.183 -7.201 -19.986 1.00 0.00 H new ATOM 0 HD11 ILE A 7 2.876 -9.413 -16.882 1.00 0.00 H new ATOM 0 HD12 ILE A 7 3.679 -8.683 -18.292 1.00 0.00 H new ATOM 0 HD13 ILE A 7 2.565 -7.711 -17.301 1.00 0.00 H new ATOM 139 N VAL A 8 -0.934 -6.250 -21.447 1.00 0.00 N ATOM 140 CA VAL A 8 -2.188 -6.006 -22.148 1.00 0.00 C ATOM 141 C VAL A 8 -1.992 -6.043 -23.660 1.00 0.00 C ATOM 142 O VAL A 8 -0.916 -5.725 -24.175 1.00 0.00 O ATOM 143 CB VAL A 8 -2.793 -4.659 -21.692 1.00 0.00 C ATOM 144 CG1 VAL A 8 -3.481 -4.802 -20.338 1.00 0.00 C ATOM 145 CG2 VAL A 8 -1.791 -3.494 -21.629 1.00 0.00 C ATOM 0 H VAL A 8 -0.125 -5.823 -21.898 1.00 0.00 H new ATOM 0 HA VAL A 8 -2.888 -6.802 -21.896 1.00 0.00 H new ATOM 0 HB VAL A 8 -3.517 -4.405 -22.466 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -3.899 -3.841 -20.039 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -4.281 -5.538 -20.413 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -2.755 -5.130 -19.594 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -2.304 -2.590 -21.300 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.995 -3.736 -20.925 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -1.363 -3.328 -22.618 1.00 0.00 H new ATOM 155 N ASP A 9 -3.065 -6.383 -24.370 1.00 0.00 N ATOM 156 CA ASP A 9 -3.172 -6.366 -25.823 1.00 0.00 C ATOM 157 C ASP A 9 -4.573 -5.871 -26.173 1.00 0.00 C ATOM 158 O ASP A 9 -5.510 -6.123 -25.414 1.00 0.00 O ATOM 159 CB ASP A 9 -2.969 -7.779 -26.373 1.00 0.00 C ATOM 160 CG ASP A 9 -2.983 -7.766 -27.904 1.00 0.00 C ATOM 161 OD1 ASP A 9 -2.028 -7.205 -28.484 1.00 0.00 O ATOM 162 OD2 ASP A 9 -3.905 -8.342 -28.521 1.00 0.00 O ATOM 0 H ASP A 9 -3.927 -6.694 -23.922 1.00 0.00 H new ATOM 0 HA ASP A 9 -2.414 -5.715 -26.258 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -2.021 -8.182 -26.016 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -3.755 -8.436 -26.002 1.00 0.00 H new ATOM 167 N GLY A 10 -4.724 -5.134 -27.274 1.00 0.00 N ATOM 168 CA GLY A 10 -5.960 -4.460 -27.653 1.00 0.00 C ATOM 169 C GLY A 10 -5.588 -3.163 -28.360 1.00 0.00 C ATOM 170 O GLY A 10 -4.470 -3.042 -28.874 1.00 0.00 O ATOM 0 H GLY A 10 -3.968 -4.987 -27.943 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -6.555 -5.095 -28.309 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -6.568 -4.254 -26.772 1.00 0.00 H new ATOM 174 N ARG A 11 -6.468 -2.156 -28.331 1.00 0.00 N ATOM 175 CA ARG A 11 -6.010 -0.782 -28.531 1.00 0.00 C ATOM 176 C ARG A 11 -5.391 -0.356 -27.204 1.00 0.00 C ATOM 177 O ARG A 11 -6.092 0.170 -26.334 1.00 0.00 O ATOM 178 CB ARG A 11 -7.133 0.164 -28.991 1.00 0.00 C ATOM 179 CG ARG A 11 -6.544 1.526 -29.411 1.00 0.00 C ATOM 180 CD ARG A 11 -7.620 2.608 -29.530 1.00 0.00 C ATOM 181 NE ARG A 11 -8.622 2.326 -30.572 1.00 0.00 N ATOM 182 CZ ARG A 11 -9.789 2.972 -30.705 1.00 0.00 C ATOM 183 NH1 ARG A 11 -10.162 3.897 -29.822 1.00 0.00 N ATOM 184 NH2 ARG A 11 -10.584 2.685 -31.731 1.00 0.00 N ATOM 0 H ARG A 11 -7.471 -2.262 -28.176 1.00 0.00 H new ATOM 0 HA ARG A 11 -5.282 -0.730 -29.340 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -7.673 -0.280 -29.827 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -7.853 0.304 -28.185 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -5.797 1.838 -28.681 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -6.031 1.419 -30.367 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -8.125 2.714 -28.570 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -7.142 3.563 -29.746 1.00 0.00 H new ATOM 0 HE ARG A 11 -8.413 1.585 -31.241 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -9.557 4.122 -29.032 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -11.053 4.381 -29.936 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -10.304 1.977 -32.410 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -11.474 3.172 -31.839 1.00 0.00 H new ATOM 198 N VAL A 12 -4.097 -0.635 -27.053 1.00 0.00 N ATOM 199 CA VAL A 12 -3.335 -0.416 -25.825 1.00 0.00 C ATOM 200 C VAL A 12 -2.113 0.473 -26.085 1.00 0.00 C ATOM 201 O VAL A 12 -1.318 0.681 -25.173 1.00 0.00 O ATOM 202 CB VAL A 12 -2.945 -1.778 -25.191 1.00 0.00 C ATOM 203 CG1 VAL A 12 -4.198 -2.567 -24.786 1.00 0.00 C ATOM 204 CG2 VAL A 12 -2.056 -2.658 -26.095 1.00 0.00 C ATOM 0 H VAL A 12 -3.533 -1.032 -27.805 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.962 0.116 -25.110 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.353 -1.529 -24.311 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -3.902 -3.518 -24.344 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -4.771 -1.992 -24.059 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -4.812 -2.752 -25.667 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.827 -3.592 -25.582 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -2.583 -2.875 -27.024 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.129 -2.130 -26.319 1.00 0.00 H new ATOM 214 N GLN A 13 -1.931 0.975 -27.313 1.00 0.00 N ATOM 215 CA GLN A 13 -0.711 1.631 -27.759 1.00 0.00 C ATOM 216 C GLN A 13 -1.064 2.743 -28.741 1.00 0.00 C ATOM 217 O GLN A 13 -1.977 2.594 -29.555 1.00 0.00 O ATOM 218 CB GLN A 13 0.199 0.571 -28.407 1.00 0.00 C ATOM 219 CG GLN A 13 1.524 1.092 -28.988 1.00 0.00 C ATOM 220 CD GLN A 13 2.388 1.779 -27.937 1.00 0.00 C ATOM 221 OE1 GLN A 13 2.304 2.989 -27.748 1.00 0.00 O ATOM 222 NE2 GLN A 13 3.192 1.026 -27.203 1.00 0.00 N ATOM 0 H GLN A 13 -2.650 0.932 -28.036 1.00 0.00 H new ATOM 0 HA GLN A 13 -0.182 2.084 -26.921 1.00 0.00 H new ATOM 0 HB2 GLN A 13 0.426 -0.191 -27.661 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -0.358 0.080 -29.205 1.00 0.00 H new ATOM 0 HG2 GLN A 13 2.078 0.261 -29.424 1.00 0.00 H new ATOM 0 HG3 GLN A 13 1.313 1.793 -29.796 1.00 0.00 H new ATOM 0 HE21 GLN A 13 3.248 0.022 -27.375 1.00 0.00 H new ATOM 0 HE22 GLN A 13 3.755 1.450 -26.466 1.00 0.00 H new ATOM 281 N ARG A 18 -1.808 4.990 -25.003 1.00 0.00 N ATOM 282 CA ARG A 18 -1.083 4.626 -23.772 1.00 0.00 C ATOM 283 C ARG A 18 -0.689 5.819 -22.905 1.00 0.00 C ATOM 284 O ARG A 18 -0.204 5.602 -21.795 1.00 0.00 O ATOM 285 CB ARG A 18 0.094 3.673 -24.032 1.00 0.00 C ATOM 286 CG ARG A 18 1.357 4.288 -24.650 1.00 0.00 C ATOM 287 CD ARG A 18 2.489 3.261 -24.541 1.00 0.00 C ATOM 288 NE ARG A 18 3.697 3.697 -25.265 1.00 0.00 N ATOM 289 CZ ARG A 18 4.961 3.400 -24.945 1.00 0.00 C ATOM 290 NH1 ARG A 18 5.229 2.609 -23.914 1.00 0.00 N ATOM 291 NH2 ARG A 18 5.971 3.875 -25.663 1.00 0.00 N ATOM 0 HA ARG A 18 -1.808 4.070 -23.178 1.00 0.00 H new ATOM 0 HB2 ARG A 18 0.370 3.208 -23.086 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -0.253 2.876 -24.690 1.00 0.00 H new ATOM 0 HG2 ARG A 18 1.181 4.551 -25.693 1.00 0.00 H new ATOM 0 HG3 ARG A 18 1.626 5.208 -24.130 1.00 0.00 H new ATOM 0 HD2 ARG A 18 2.733 3.100 -23.491 1.00 0.00 H new ATOM 0 HD3 ARG A 18 2.151 2.305 -24.940 1.00 0.00 H new ATOM 0 HE ARG A 18 3.555 4.281 -26.089 1.00 0.00 H new ATOM 0 HH11 ARG A 18 4.467 2.221 -23.357 1.00 0.00 H new ATOM 0 HH12 ARG A 18 6.197 2.389 -23.678 1.00 0.00 H new ATOM 0 HH21 ARG A 18 5.787 4.473 -26.468 1.00 0.00 H new ATOM 0 HH22 ARG A 18 6.931 3.642 -25.409 1.00 0.00 H new ATOM 305 N TYR A 19 -0.932 7.064 -23.327 1.00 0.00 N ATOM 306 CA TYR A 19 -0.947 8.156 -22.358 1.00 0.00 C ATOM 307 C TYR A 19 -2.081 7.920 -21.358 1.00 0.00 C ATOM 308 O TYR A 19 -1.885 8.191 -20.179 1.00 0.00 O ATOM 309 CB TYR A 19 -1.078 9.534 -23.016 1.00 0.00 C ATOM 310 CG TYR A 19 -1.148 10.664 -22.003 1.00 0.00 C ATOM 311 CD1 TYR A 19 0.021 11.092 -21.345 1.00 0.00 C ATOM 312 CD2 TYR A 19 -2.391 11.237 -21.668 1.00 0.00 C ATOM 313 CE1 TYR A 19 -0.048 12.089 -20.356 1.00 0.00 C ATOM 314 CE2 TYR A 19 -2.468 12.240 -20.685 1.00 0.00 C ATOM 315 CZ TYR A 19 -1.295 12.668 -20.020 1.00 0.00 C ATOM 316 OH TYR A 19 -1.350 13.632 -19.057 1.00 0.00 O ATOM 0 H TYR A 19 -1.114 7.332 -24.294 1.00 0.00 H new ATOM 0 HA TYR A 19 0.013 8.160 -21.841 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -0.228 9.698 -23.679 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -1.974 9.552 -23.636 1.00 0.00 H new ATOM 0 HD1 TYR A 19 0.974 10.653 -21.601 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -3.289 10.905 -22.168 1.00 0.00 H new ATOM 0 HE1 TYR A 19 0.851 12.413 -19.853 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -3.422 12.683 -20.438 1.00 0.00 H new ATOM 0 HH TYR A 19 -2.277 13.929 -18.944 1.00 0.00 H new ATOM 326 N PHE A 20 -3.227 7.369 -21.791 1.00 0.00 N ATOM 327 CA PHE A 20 -4.365 7.090 -20.912 1.00 0.00 C ATOM 328 C PHE A 20 -3.951 6.378 -19.625 1.00 0.00 C ATOM 329 O PHE A 20 -4.314 6.854 -18.548 1.00 0.00 O ATOM 330 CB PHE A 20 -5.481 6.330 -21.668 1.00 0.00 C ATOM 331 CG PHE A 20 -6.152 5.207 -20.888 1.00 0.00 C ATOM 332 CD1 PHE A 20 -6.990 5.507 -19.797 1.00 0.00 C ATOM 333 CD2 PHE A 20 -5.876 3.859 -21.199 1.00 0.00 C ATOM 334 CE1 PHE A 20 -7.509 4.476 -18.999 1.00 0.00 C ATOM 335 CE2 PHE A 20 -6.405 2.826 -20.403 1.00 0.00 C ATOM 336 CZ PHE A 20 -7.199 3.139 -19.288 1.00 0.00 C ATOM 0 H PHE A 20 -3.387 7.105 -22.763 1.00 0.00 H new ATOM 0 HA PHE A 20 -4.775 8.052 -20.603 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -6.245 7.047 -21.969 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -5.058 5.912 -22.581 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -7.234 6.535 -19.573 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -5.257 3.619 -22.051 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -8.148 4.712 -18.161 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -6.201 1.794 -20.649 1.00 0.00 H new ATOM 0 HZ PHE A 20 -7.571 2.349 -18.652 1.00 0.00 H new ATOM 346 N VAL A 21 -3.178 5.289 -19.701 1.00 0.00 N ATOM 347 CA VAL A 21 -2.811 4.575 -18.493 1.00 0.00 C ATOM 348 C VAL A 21 -1.981 5.485 -17.581 1.00 0.00 C ATOM 349 O VAL A 21 -2.242 5.550 -16.387 1.00 0.00 O ATOM 350 CB VAL A 21 -2.149 3.221 -18.809 1.00 0.00 C ATOM 351 CG1 VAL A 21 -3.152 2.262 -19.466 1.00 0.00 C ATOM 352 CG2 VAL A 21 -0.885 3.254 -19.676 1.00 0.00 C ATOM 0 H VAL A 21 -2.807 4.898 -20.567 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.712 4.316 -17.937 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.827 2.877 -17.826 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -2.661 1.313 -19.680 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -3.990 2.093 -18.790 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -3.518 2.699 -20.395 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.519 2.238 -19.824 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -1.118 3.700 -20.643 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.118 3.847 -19.178 1.00 0.00 H new ATOM 362 N GLN A 22 -1.066 6.290 -18.121 1.00 0.00 N ATOM 363 CA GLN A 22 -0.257 7.168 -17.288 1.00 0.00 C ATOM 364 C GLN A 22 -1.057 8.371 -16.767 1.00 0.00 C ATOM 365 O GLN A 22 -0.734 8.907 -15.707 1.00 0.00 O ATOM 366 CB GLN A 22 1.008 7.573 -18.047 1.00 0.00 C ATOM 367 CG GLN A 22 1.857 6.384 -18.552 1.00 0.00 C ATOM 368 CD GLN A 22 2.165 5.294 -17.509 1.00 0.00 C ATOM 369 OE1 GLN A 22 1.284 4.605 -17.007 1.00 0.00 O ATOM 370 NE2 GLN A 22 3.422 5.069 -17.167 1.00 0.00 N ATOM 0 H GLN A 22 -0.871 6.350 -19.120 1.00 0.00 H new ATOM 0 HA GLN A 22 0.049 6.623 -16.395 1.00 0.00 H new ATOM 0 HB2 GLN A 22 0.724 8.189 -18.900 1.00 0.00 H new ATOM 0 HB3 GLN A 22 1.624 8.194 -17.397 1.00 0.00 H new ATOM 0 HG2 GLN A 22 1.338 5.922 -19.392 1.00 0.00 H new ATOM 0 HG3 GLN A 22 2.801 6.772 -18.935 1.00 0.00 H new ATOM 0 HE21 GLN A 22 4.170 5.631 -17.573 1.00 0.00 H new ATOM 0 HE22 GLN A 22 3.644 4.333 -16.497 1.00 0.00 H new ATOM 379 N MET A 23 -2.136 8.757 -17.449 1.00 0.00 N ATOM 380 CA MET A 23 -3.090 9.729 -16.931 1.00 0.00 C ATOM 381 C MET A 23 -3.797 9.133 -15.708 1.00 0.00 C ATOM 382 O MET A 23 -3.896 9.810 -14.688 1.00 0.00 O ATOM 383 CB MET A 23 -4.044 10.249 -18.037 1.00 0.00 C ATOM 384 CG MET A 23 -5.539 9.957 -17.828 1.00 0.00 C ATOM 385 SD MET A 23 -6.685 10.889 -18.883 1.00 0.00 S ATOM 386 CE MET A 23 -6.929 9.691 -20.216 1.00 0.00 C ATOM 0 H MET A 23 -2.370 8.402 -18.376 1.00 0.00 H new ATOM 0 HA MET A 23 -2.566 10.624 -16.594 1.00 0.00 H new ATOM 0 HB2 MET A 23 -3.913 11.328 -18.124 1.00 0.00 H new ATOM 0 HB3 MET A 23 -3.738 9.813 -18.988 1.00 0.00 H new ATOM 0 HG2 MET A 23 -5.708 8.893 -17.993 1.00 0.00 H new ATOM 0 HG3 MET A 23 -5.787 10.161 -16.786 1.00 0.00 H new ATOM 0 HE1 MET A 23 -7.905 9.851 -20.675 1.00 0.00 H new ATOM 0 HE2 MET A 23 -6.150 9.819 -20.967 1.00 0.00 H new ATOM 0 HE3 MET A 23 -6.880 8.680 -19.810 1.00 0.00 H new ATOM 396 N GLU A 24 -4.247 7.872 -15.766 1.00 0.00 N ATOM 397 CA GLU A 24 -4.845 7.197 -14.619 1.00 0.00 C ATOM 398 C GLU A 24 -3.814 7.068 -13.494 1.00 0.00 C ATOM 399 O GLU A 24 -4.175 7.232 -12.331 1.00 0.00 O ATOM 400 CB GLU A 24 -5.361 5.801 -15.013 1.00 0.00 C ATOM 401 CG GLU A 24 -6.590 5.813 -15.934 1.00 0.00 C ATOM 402 CD GLU A 24 -7.859 6.243 -15.193 1.00 0.00 C ATOM 403 OE1 GLU A 24 -8.126 5.720 -14.087 1.00 0.00 O ATOM 404 OE2 GLU A 24 -8.579 7.141 -15.684 1.00 0.00 O ATOM 0 H GLU A 24 -4.204 7.298 -16.608 1.00 0.00 H new ATOM 0 HA GLU A 24 -5.689 7.793 -14.272 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -4.557 5.257 -15.508 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -5.608 5.249 -14.106 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.411 6.491 -16.769 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -6.736 4.819 -16.356 1.00 0.00 H new ATOM 411 N ALA A 25 -2.542 6.815 -13.824 1.00 0.00 N ATOM 412 CA ALA A 25 -1.472 6.711 -12.844 1.00 0.00 C ATOM 413 C ALA A 25 -1.365 8.011 -12.054 1.00 0.00 C ATOM 414 O ALA A 25 -1.443 7.995 -10.827 1.00 0.00 O ATOM 415 CB ALA A 25 -0.134 6.386 -13.524 1.00 0.00 C ATOM 0 H ALA A 25 -2.232 6.677 -14.786 1.00 0.00 H new ATOM 0 HA ALA A 25 -1.708 5.896 -12.159 1.00 0.00 H new ATOM 0 HB1 ALA A 25 0.649 6.314 -12.770 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -0.216 5.437 -14.054 1.00 0.00 H new ATOM 0 HB3 ALA A 25 0.116 7.176 -14.232 1.00 0.00 H new ATOM 421 N ASP A 26 -1.236 9.137 -12.757 1.00 0.00 N ATOM 422 CA ASP A 26 -1.121 10.458 -12.141 1.00 0.00 C ATOM 423 C ASP A 26 -2.362 10.779 -11.314 1.00 0.00 C ATOM 424 O ASP A 26 -2.263 11.177 -10.153 1.00 0.00 O ATOM 425 CB ASP A 26 -0.944 11.529 -13.219 1.00 0.00 C ATOM 426 CG ASP A 26 -0.900 12.930 -12.587 1.00 0.00 C ATOM 427 OD1 ASP A 26 0.122 13.284 -11.961 1.00 0.00 O ATOM 428 OD2 ASP A 26 -1.884 13.690 -12.727 1.00 0.00 O ATOM 0 H ASP A 26 -1.208 9.157 -13.776 1.00 0.00 H new ATOM 0 HA ASP A 26 -0.250 10.450 -11.486 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -0.024 11.345 -13.774 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -1.765 11.472 -13.934 1.00 0.00 H new ATOM 433 N LYS A 27 -3.539 10.525 -11.889 1.00 0.00 N ATOM 434 CA LYS A 27 -4.837 10.733 -11.259 1.00 0.00 C ATOM 435 C LYS A 27 -4.975 9.938 -9.956 1.00 0.00 C ATOM 436 O LYS A 27 -5.689 10.370 -9.051 1.00 0.00 O ATOM 437 CB LYS A 27 -5.905 10.384 -12.310 1.00 0.00 C ATOM 438 CG LYS A 27 -7.361 10.621 -11.879 1.00 0.00 C ATOM 439 CD LYS A 27 -8.072 9.352 -11.382 1.00 0.00 C ATOM 440 CE LYS A 27 -8.283 8.313 -12.490 1.00 0.00 C ATOM 441 NZ LYS A 27 -9.213 8.767 -13.555 1.00 0.00 N ATOM 0 H LYS A 27 -3.613 10.157 -12.837 1.00 0.00 H new ATOM 0 HA LYS A 27 -4.961 11.771 -10.949 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -5.711 10.970 -13.208 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -5.792 9.335 -12.583 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -7.379 11.371 -11.088 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -7.918 11.033 -12.721 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -7.487 8.905 -10.578 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -9.038 9.625 -10.958 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -7.320 8.070 -12.938 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -8.669 7.395 -12.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -9.259 8.048 -14.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -10.161 8.908 -13.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -8.871 9.664 -13.956 1.00 0.00 H new ATOM 455 N ARG A 28 -4.278 8.805 -9.834 1.00 0.00 N ATOM 456 CA ARG A 28 -4.326 7.912 -8.674 1.00 0.00 C ATOM 457 C ARG A 28 -3.036 8.007 -7.848 1.00 0.00 C ATOM 458 O ARG A 28 -2.823 7.176 -6.966 1.00 0.00 O ATOM 459 CB ARG A 28 -4.638 6.482 -9.165 1.00 0.00 C ATOM 460 CG ARG A 28 -6.043 6.397 -9.785 1.00 0.00 C ATOM 461 CD ARG A 28 -6.284 5.086 -10.534 1.00 0.00 C ATOM 462 NE ARG A 28 -7.498 5.128 -11.374 1.00 0.00 N ATOM 463 CZ ARG A 28 -8.778 5.119 -10.986 1.00 0.00 C ATOM 464 NH1 ARG A 28 -9.119 5.154 -9.701 1.00 0.00 N ATOM 465 NH2 ARG A 28 -9.706 5.111 -11.932 1.00 0.00 N ATOM 0 H ARG A 28 -3.645 8.474 -10.562 1.00 0.00 H new ATOM 0 HA ARG A 28 -5.123 8.214 -7.995 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -3.894 6.178 -9.902 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -4.564 5.785 -8.331 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -6.789 6.502 -8.997 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -6.183 7.233 -10.471 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -5.420 4.866 -11.161 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -6.372 4.272 -9.815 1.00 0.00 H new ATOM 0 HE ARG A 28 -7.340 5.169 -12.381 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -8.396 5.189 -8.982 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -10.103 5.146 -9.434 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -9.433 5.112 -12.915 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -10.694 5.104 -11.677 1.00 0.00 H new ATOM 479 N LYS A 29 -2.186 9.013 -8.103 1.00 0.00 N ATOM 480 CA LYS A 29 -0.893 9.239 -7.444 1.00 0.00 C ATOM 481 C LYS A 29 -0.013 7.978 -7.413 1.00 0.00 C ATOM 482 O LYS A 29 0.764 7.774 -6.477 1.00 0.00 O ATOM 483 CB LYS A 29 -1.096 9.891 -6.060 1.00 0.00 C ATOM 484 CG LYS A 29 -1.858 11.225 -6.134 1.00 0.00 C ATOM 485 CD LYS A 29 -1.965 11.878 -4.750 1.00 0.00 C ATOM 486 CE LYS A 29 -2.734 13.203 -4.854 1.00 0.00 C ATOM 487 NZ LYS A 29 -2.868 13.878 -3.538 1.00 0.00 N ATOM 0 H LYS A 29 -2.392 9.723 -8.806 1.00 0.00 H new ATOM 0 HA LYS A 29 -0.327 9.949 -8.047 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -1.642 9.202 -5.416 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -0.124 10.059 -5.597 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -1.348 11.901 -6.820 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -2.856 11.055 -6.537 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -2.474 11.205 -4.060 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -0.969 12.057 -4.345 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -2.220 13.866 -5.550 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -3.725 13.015 -5.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -3.393 14.768 -3.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -3.381 13.257 -2.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -1.923 14.082 -3.155 1.00 0.00 H new ATOM 501 N LEU A 30 -0.133 7.127 -8.434 1.00 0.00 N ATOM 502 CA LEU A 30 0.789 6.027 -8.683 1.00 0.00 C ATOM 503 C LEU A 30 2.100 6.602 -9.233 1.00 0.00 C ATOM 504 O LEU A 30 2.130 7.734 -9.726 1.00 0.00 O ATOM 505 CB LEU A 30 0.173 5.049 -9.701 1.00 0.00 C ATOM 506 CG LEU A 30 -1.115 4.333 -9.253 1.00 0.00 C ATOM 507 CD1 LEU A 30 -1.505 3.298 -10.311 1.00 0.00 C ATOM 508 CD2 LEU A 30 -0.966 3.628 -7.906 1.00 0.00 C ATOM 0 H LEU A 30 -0.886 7.187 -9.119 1.00 0.00 H new ATOM 0 HA LEU A 30 0.983 5.487 -7.757 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.040 5.597 -10.619 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.919 4.293 -9.947 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.885 5.096 -9.139 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.416 2.787 -10.001 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.676 3.799 -11.264 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.701 2.571 -10.422 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.906 3.142 -7.644 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.177 2.879 -7.973 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.709 4.359 -7.139 1.00 0.00 H new ATOM 520 N ALA A 31 3.169 5.804 -9.216 1.00 0.00 N ATOM 521 CA ALA A 31 4.434 6.116 -9.873 1.00 0.00 C ATOM 522 C ALA A 31 4.962 4.824 -10.487 1.00 0.00 C ATOM 523 O ALA A 31 4.897 3.772 -9.849 1.00 0.00 O ATOM 524 CB ALA A 31 5.426 6.698 -8.858 1.00 0.00 C ATOM 0 H ALA A 31 3.177 4.905 -8.734 1.00 0.00 H new ATOM 0 HA ALA A 31 4.295 6.865 -10.652 1.00 0.00 H new ATOM 0 HB1 ALA A 31 6.367 6.927 -9.359 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.013 7.610 -8.427 1.00 0.00 H new ATOM 0 HB3 ALA A 31 5.605 5.971 -8.066 1.00 0.00 H new ATOM 530 N GLY A 32 5.447 4.881 -11.726 1.00 0.00 N ATOM 531 CA GLY A 32 5.752 3.691 -12.504 1.00 0.00 C ATOM 532 C GLY A 32 6.075 4.033 -13.950 1.00 0.00 C ATOM 533 O GLY A 32 6.299 5.200 -14.275 1.00 0.00 O ATOM 0 H GLY A 32 5.638 5.755 -12.215 1.00 0.00 H new ATOM 0 HA2 GLY A 32 6.598 3.170 -12.056 1.00 0.00 H new ATOM 0 HA3 GLY A 32 4.903 3.008 -12.472 1.00 0.00 H new ATOM 537 N TRP A 33 6.086 3.032 -14.826 1.00 0.00 N ATOM 538 CA TRP A 33 6.339 3.208 -16.249 1.00 0.00 C ATOM 539 C TRP A 33 5.432 2.320 -17.107 1.00 0.00 C ATOM 540 O TRP A 33 4.874 1.330 -16.621 1.00 0.00 O ATOM 541 CB TRP A 33 7.828 2.976 -16.548 1.00 0.00 C ATOM 542 CG TRP A 33 8.428 1.709 -16.016 1.00 0.00 C ATOM 543 CD1 TRP A 33 8.492 0.524 -16.664 1.00 0.00 C ATOM 544 CD2 TRP A 33 9.077 1.490 -14.726 1.00 0.00 C ATOM 545 NE1 TRP A 33 9.145 -0.403 -15.877 1.00 0.00 N ATOM 546 CE2 TRP A 33 9.541 0.141 -14.673 1.00 0.00 C ATOM 547 CE3 TRP A 33 9.333 2.302 -13.598 1.00 0.00 C ATOM 548 CZ2 TRP A 33 10.245 -0.365 -13.569 1.00 0.00 C ATOM 549 CZ3 TRP A 33 10.020 1.799 -12.477 1.00 0.00 C ATOM 550 CH2 TRP A 33 10.481 0.471 -12.465 1.00 0.00 C ATOM 0 H TRP A 33 5.917 2.062 -14.561 1.00 0.00 H new ATOM 0 HA TRP A 33 6.094 4.235 -16.518 1.00 0.00 H new ATOM 0 HB2 TRP A 33 7.965 2.991 -17.629 1.00 0.00 H new ATOM 0 HB3 TRP A 33 8.392 3.817 -16.144 1.00 0.00 H new ATOM 0 HD1 TRP A 33 8.092 0.332 -17.649 1.00 0.00 H new ATOM 0 HE1 TRP A 33 9.314 -1.371 -16.152 1.00 0.00 H new ATOM 0 HE3 TRP A 33 8.995 3.328 -13.596 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 10.601 -1.385 -13.568 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 10.194 2.436 -11.622 1.00 0.00 H new ATOM 0 HH2 TRP A 33 11.017 0.093 -11.607 1.00 0.00 H new ATOM 561 N VAL A 34 5.316 2.672 -18.392 1.00 0.00 N ATOM 562 CA VAL A 34 4.644 1.867 -19.415 1.00 0.00 C ATOM 563 C VAL A 34 5.622 1.626 -20.568 1.00 0.00 C ATOM 564 O VAL A 34 6.411 2.504 -20.924 1.00 0.00 O ATOM 565 CB VAL A 34 3.301 2.517 -19.831 1.00 0.00 C ATOM 566 CG1 VAL A 34 3.468 3.874 -20.523 1.00 0.00 C ATOM 567 CG2 VAL A 34 2.481 1.602 -20.747 1.00 0.00 C ATOM 0 H VAL A 34 5.696 3.545 -18.757 1.00 0.00 H new ATOM 0 HA VAL A 34 4.366 0.888 -19.025 1.00 0.00 H new ATOM 0 HB VAL A 34 2.771 2.675 -18.892 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.488 4.271 -20.787 1.00 0.00 H new ATOM 0 HG12 VAL A 34 3.971 4.567 -19.848 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.064 3.751 -21.427 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.547 2.097 -21.014 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.050 1.388 -21.652 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.261 0.669 -20.227 1.00 0.00 H new ATOM 577 N LYS A 35 5.567 0.433 -21.158 1.00 0.00 N ATOM 578 CA LYS A 35 6.582 -0.134 -22.045 1.00 0.00 C ATOM 579 C LYS A 35 5.875 -0.939 -23.137 1.00 0.00 C ATOM 580 O LYS A 35 4.716 -1.316 -22.964 1.00 0.00 O ATOM 581 CB LYS A 35 7.474 -1.029 -21.162 1.00 0.00 C ATOM 582 CG LYS A 35 8.698 -1.652 -21.860 1.00 0.00 C ATOM 583 CD LYS A 35 9.533 -2.502 -20.891 1.00 0.00 C ATOM 584 CE LYS A 35 8.709 -3.717 -20.433 1.00 0.00 C ATOM 585 NZ LYS A 35 9.458 -4.676 -19.589 1.00 0.00 N ATOM 0 H LYS A 35 4.775 -0.195 -21.024 1.00 0.00 H new ATOM 0 HA LYS A 35 7.191 0.625 -22.536 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.824 -0.438 -20.315 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.861 -1.834 -20.757 1.00 0.00 H new ATOM 0 HG2 LYS A 35 8.366 -2.271 -22.693 1.00 0.00 H new ATOM 0 HG3 LYS A 35 9.320 -0.861 -22.279 1.00 0.00 H new ATOM 0 HD2 LYS A 35 10.449 -2.834 -21.379 1.00 0.00 H new ATOM 0 HD3 LYS A 35 9.829 -1.904 -20.029 1.00 0.00 H new ATOM 0 HE2 LYS A 35 7.840 -3.364 -19.878 1.00 0.00 H new ATOM 0 HE3 LYS A 35 8.334 -4.240 -21.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 8.821 -5.438 -19.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 10.243 -5.082 -20.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 9.837 -4.183 -18.755 1.00 0.00 H new ATOM 599 N ASN A 36 6.565 -1.253 -24.234 1.00 0.00 N ATOM 600 CA ASN A 36 6.102 -2.215 -25.233 1.00 0.00 C ATOM 601 C ASN A 36 7.068 -3.394 -25.227 1.00 0.00 C ATOM 602 O ASN A 36 8.268 -3.202 -25.431 1.00 0.00 O ATOM 603 CB ASN A 36 6.048 -1.565 -26.622 1.00 0.00 C ATOM 604 CG ASN A 36 5.604 -2.566 -27.688 1.00 0.00 C ATOM 605 OD1 ASN A 36 6.357 -2.901 -28.596 1.00 0.00 O ATOM 606 ND2 ASN A 36 4.375 -3.053 -27.602 1.00 0.00 N ATOM 0 H ASN A 36 7.472 -0.841 -24.456 1.00 0.00 H new ATOM 0 HA ASN A 36 5.094 -2.554 -24.993 1.00 0.00 H new ATOM 0 HB2 ASN A 36 5.359 -0.721 -26.604 1.00 0.00 H new ATOM 0 HB3 ASN A 36 7.031 -1.169 -26.879 1.00 0.00 H new ATOM 0 HD21 ASN A 36 4.040 -3.719 -28.299 1.00 0.00 H new ATOM 0 HD22 ASN A 36 3.763 -2.762 -26.839 1.00 0.00 H new ATOM 613 N ARG A 37 6.566 -4.598 -24.950 1.00 0.00 N ATOM 614 CA ARG A 37 7.363 -5.819 -25.020 1.00 0.00 C ATOM 615 C ARG A 37 7.532 -6.173 -26.493 1.00 0.00 C ATOM 616 O ARG A 37 6.610 -5.966 -27.283 1.00 0.00 O ATOM 617 CB ARG A 37 6.664 -6.964 -24.263 1.00 0.00 C ATOM 618 CG ARG A 37 6.553 -6.687 -22.753 1.00 0.00 C ATOM 619 CD ARG A 37 5.840 -7.821 -22.005 1.00 0.00 C ATOM 620 NE ARG A 37 6.613 -9.076 -22.005 1.00 0.00 N ATOM 621 CZ ARG A 37 7.559 -9.430 -21.124 1.00 0.00 C ATOM 622 NH1 ARG A 37 7.915 -8.625 -20.124 1.00 0.00 N ATOM 623 NH2 ARG A 37 8.158 -10.610 -21.251 1.00 0.00 N ATOM 0 H ARG A 37 5.597 -4.752 -24.671 1.00 0.00 H new ATOM 0 HA ARG A 37 8.336 -5.667 -24.553 1.00 0.00 H new ATOM 0 HB2 ARG A 37 5.667 -7.114 -24.676 1.00 0.00 H new ATOM 0 HB3 ARG A 37 7.217 -7.890 -24.420 1.00 0.00 H new ATOM 0 HG2 ARG A 37 7.551 -6.551 -22.336 1.00 0.00 H new ATOM 0 HG3 ARG A 37 6.012 -5.754 -22.596 1.00 0.00 H new ATOM 0 HD2 ARG A 37 5.656 -7.512 -20.976 1.00 0.00 H new ATOM 0 HD3 ARG A 37 4.867 -7.998 -22.464 1.00 0.00 H new ATOM 0 HE ARG A 37 6.407 -9.742 -22.750 1.00 0.00 H new ATOM 0 HH11 ARG A 37 7.465 -7.716 -20.016 1.00 0.00 H new ATOM 0 HH12 ARG A 37 8.638 -8.917 -19.466 1.00 0.00 H new ATOM 0 HH21 ARG A 37 7.896 -11.235 -22.013 1.00 0.00 H new ATOM 0 HH22 ARG A 37 8.879 -10.890 -20.586 1.00 0.00 H new ATOM 637 N ASP A 38 8.673 -6.765 -26.851 1.00 0.00 N ATOM 638 CA ASP A 38 8.987 -7.142 -28.232 1.00 0.00 C ATOM 639 C ASP A 38 7.959 -8.122 -28.810 1.00 0.00 C ATOM 640 O ASP A 38 7.709 -8.122 -30.016 1.00 0.00 O ATOM 641 CB ASP A 38 10.390 -7.757 -28.294 1.00 0.00 C ATOM 642 CG ASP A 38 10.749 -8.203 -29.722 1.00 0.00 C ATOM 643 OD1 ASP A 38 11.008 -7.334 -30.585 1.00 0.00 O ATOM 644 OD2 ASP A 38 10.817 -9.427 -29.979 1.00 0.00 O ATOM 0 H ASP A 38 9.411 -6.998 -26.187 1.00 0.00 H new ATOM 0 HA ASP A 38 8.952 -6.237 -28.839 1.00 0.00 H new ATOM 0 HB2 ASP A 38 11.123 -7.030 -27.944 1.00 0.00 H new ATOM 0 HB3 ASP A 38 10.443 -8.612 -27.621 1.00 0.00 H new ATOM 649 N ASP A 39 7.329 -8.929 -27.947 1.00 0.00 N ATOM 650 CA ASP A 39 6.272 -9.867 -28.326 1.00 0.00 C ATOM 651 C ASP A 39 5.035 -9.157 -28.902 1.00 0.00 C ATOM 652 O ASP A 39 4.345 -9.730 -29.747 1.00 0.00 O ATOM 653 CB ASP A 39 5.877 -10.698 -27.099 1.00 0.00 C ATOM 654 CG ASP A 39 4.766 -11.707 -27.429 1.00 0.00 C ATOM 655 OD1 ASP A 39 5.045 -12.724 -28.102 1.00 0.00 O ATOM 656 OD2 ASP A 39 3.617 -11.493 -26.984 1.00 0.00 O ATOM 0 H ASP A 39 7.545 -8.947 -26.950 1.00 0.00 H new ATOM 0 HA ASP A 39 6.662 -10.512 -29.113 1.00 0.00 H new ATOM 0 HB2 ASP A 39 6.751 -11.229 -26.723 1.00 0.00 H new ATOM 0 HB3 ASP A 39 5.541 -10.034 -26.303 1.00 0.00 H new ATOM 661 N GLY A 40 4.774 -7.910 -28.490 1.00 0.00 N ATOM 662 CA GLY A 40 3.738 -7.042 -29.041 1.00 0.00 C ATOM 663 C GLY A 40 2.909 -6.366 -27.949 1.00 0.00 C ATOM 664 O GLY A 40 2.414 -5.258 -28.160 1.00 0.00 O ATOM 0 H GLY A 40 5.300 -7.467 -27.737 1.00 0.00 H new ATOM 0 HA2 GLY A 40 4.201 -6.280 -29.668 1.00 0.00 H new ATOM 0 HA3 GLY A 40 3.080 -7.627 -29.684 1.00 0.00 H new ATOM 668 N ARG A 41 2.761 -7.014 -26.785 1.00 0.00 N ATOM 669 CA ARG A 41 1.964 -6.507 -25.663 1.00 0.00 C ATOM 670 C ARG A 41 2.543 -5.187 -25.170 1.00 0.00 C ATOM 671 O ARG A 41 3.755 -4.967 -25.221 1.00 0.00 O ATOM 672 CB ARG A 41 1.953 -7.515 -24.494 1.00 0.00 C ATOM 673 CG ARG A 41 0.930 -8.666 -24.534 1.00 0.00 C ATOM 674 CD ARG A 41 1.035 -9.606 -25.742 1.00 0.00 C ATOM 675 NE ARG A 41 0.433 -9.027 -26.959 1.00 0.00 N ATOM 676 CZ ARG A 41 0.805 -9.272 -28.222 1.00 0.00 C ATOM 677 NH1 ARG A 41 1.784 -10.125 -28.491 1.00 0.00 N ATOM 678 NH2 ARG A 41 0.202 -8.636 -29.219 1.00 0.00 N ATOM 0 H ARG A 41 3.198 -7.916 -26.596 1.00 0.00 H new ATOM 0 HA ARG A 41 0.943 -6.360 -26.015 1.00 0.00 H new ATOM 0 HB2 ARG A 41 2.947 -7.956 -24.425 1.00 0.00 H new ATOM 0 HB3 ARG A 41 1.788 -6.955 -23.573 1.00 0.00 H new ATOM 0 HG2 ARG A 41 1.040 -9.258 -23.625 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -0.072 -8.238 -24.516 1.00 0.00 H new ATOM 0 HD2 ARG A 41 2.084 -9.834 -25.932 1.00 0.00 H new ATOM 0 HD3 ARG A 41 0.541 -10.549 -25.509 1.00 0.00 H new ATOM 0 HE ARG A 41 -0.342 -8.377 -26.825 1.00 0.00 H new ATOM 0 HH11 ARG A 41 2.265 -10.605 -27.731 1.00 0.00 H new ATOM 0 HH12 ARG A 41 2.056 -10.301 -29.458 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -0.540 -7.965 -29.021 1.00 0.00 H new ATOM 0 HH22 ARG A 41 0.481 -8.818 -30.183 1.00 0.00 H new ATOM 692 N VAL A 42 1.691 -4.344 -24.602 1.00 0.00 N ATOM 693 CA VAL A 42 2.141 -3.271 -23.732 1.00 0.00 C ATOM 694 C VAL A 42 2.253 -3.869 -22.330 1.00 0.00 C ATOM 695 O VAL A 42 1.497 -4.774 -21.970 1.00 0.00 O ATOM 696 CB VAL A 42 1.179 -2.072 -23.872 1.00 0.00 C ATOM 697 CG1 VAL A 42 1.176 -1.107 -22.681 1.00 0.00 C ATOM 698 CG2 VAL A 42 1.577 -1.303 -25.143 1.00 0.00 C ATOM 0 H VAL A 42 0.680 -4.385 -24.730 1.00 0.00 H new ATOM 0 HA VAL A 42 3.120 -2.869 -23.992 1.00 0.00 H new ATOM 0 HB VAL A 42 0.168 -2.477 -23.919 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.471 -0.298 -22.870 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.880 -1.643 -21.779 1.00 0.00 H new ATOM 0 HG13 VAL A 42 2.175 -0.693 -22.546 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.915 -0.447 -25.272 1.00 0.00 H new ATOM 0 HG22 VAL A 42 2.606 -0.956 -25.051 1.00 0.00 H new ATOM 0 HG23 VAL A 42 1.492 -1.961 -26.008 1.00 0.00 H new ATOM 708 N GLU A 43 3.197 -3.366 -21.543 1.00 0.00 N ATOM 709 CA GLU A 43 3.425 -3.763 -20.164 1.00 0.00 C ATOM 710 C GLU A 43 3.454 -2.486 -19.332 1.00 0.00 C ATOM 711 O GLU A 43 3.934 -1.450 -19.797 1.00 0.00 O ATOM 712 CB GLU A 43 4.726 -4.576 -20.062 1.00 0.00 C ATOM 713 CG GLU A 43 5.059 -4.994 -18.617 1.00 0.00 C ATOM 714 CD GLU A 43 6.192 -6.023 -18.504 1.00 0.00 C ATOM 715 OE1 GLU A 43 7.072 -6.096 -19.394 1.00 0.00 O ATOM 716 OE2 GLU A 43 6.211 -6.771 -17.502 1.00 0.00 O ATOM 0 H GLU A 43 3.846 -2.646 -21.861 1.00 0.00 H new ATOM 0 HA GLU A 43 2.635 -4.413 -19.788 1.00 0.00 H new ATOM 0 HB2 GLU A 43 4.641 -5.468 -20.683 1.00 0.00 H new ATOM 0 HB3 GLU A 43 5.550 -3.986 -20.463 1.00 0.00 H new ATOM 0 HG2 GLU A 43 5.332 -4.106 -18.048 1.00 0.00 H new ATOM 0 HG3 GLU A 43 4.162 -5.406 -18.154 1.00 0.00 H new ATOM 723 N ILE A 44 2.940 -2.557 -18.109 1.00 0.00 N ATOM 724 CA ILE A 44 2.815 -1.444 -17.192 1.00 0.00 C ATOM 725 C ILE A 44 3.326 -1.961 -15.847 1.00 0.00 C ATOM 726 O ILE A 44 3.047 -3.107 -15.479 1.00 0.00 O ATOM 727 CB ILE A 44 1.340 -0.982 -17.074 1.00 0.00 C ATOM 728 CG1 ILE A 44 0.460 -1.210 -18.331 1.00 0.00 C ATOM 729 CG2 ILE A 44 1.319 0.491 -16.631 1.00 0.00 C ATOM 730 CD1 ILE A 44 -1.007 -0.798 -18.150 1.00 0.00 C ATOM 0 H ILE A 44 2.586 -3.431 -17.719 1.00 0.00 H new ATOM 0 HA ILE A 44 3.382 -0.579 -17.536 1.00 0.00 H new ATOM 0 HB ILE A 44 0.876 -1.624 -16.325 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.884 -0.650 -19.165 1.00 0.00 H new ATOM 0 HG13 ILE A 44 0.499 -2.265 -18.603 1.00 0.00 H new ATOM 0 HG21 ILE A 44 0.287 0.830 -16.544 1.00 0.00 H new ATOM 0 HG22 ILE A 44 1.816 0.588 -15.666 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.840 1.100 -17.369 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -1.555 -0.989 -19.073 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -1.450 -1.376 -17.339 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -1.060 0.264 -17.910 1.00 0.00 H new ATOM 742 N LEU A 45 4.045 -1.128 -15.098 1.00 0.00 N ATOM 743 CA LEU A 45 4.577 -1.485 -13.785 1.00 0.00 C ATOM 744 C LEU A 45 4.545 -0.216 -12.952 1.00 0.00 C ATOM 745 O LEU A 45 5.090 0.794 -13.393 1.00 0.00 O ATOM 746 CB LEU A 45 6.002 -2.039 -13.962 1.00 0.00 C ATOM 747 CG LEU A 45 6.698 -2.525 -12.673 1.00 0.00 C ATOM 748 CD1 LEU A 45 7.916 -3.371 -13.067 1.00 0.00 C ATOM 749 CD2 LEU A 45 7.175 -1.385 -11.759 1.00 0.00 C ATOM 0 H LEU A 45 4.277 -0.178 -15.388 1.00 0.00 H new ATOM 0 HA LEU A 45 3.996 -2.260 -13.285 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.964 -2.869 -14.667 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.619 -1.264 -14.416 1.00 0.00 H new ATOM 0 HG LEU A 45 5.959 -3.096 -12.111 1.00 0.00 H new ATOM 0 HD11 LEU A 45 8.421 -3.723 -12.167 1.00 0.00 H new ATOM 0 HD12 LEU A 45 7.589 -4.226 -13.658 1.00 0.00 H new ATOM 0 HD13 LEU A 45 8.605 -2.765 -13.656 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.654 -1.804 -10.874 1.00 0.00 H new ATOM 0 HD22 LEU A 45 7.889 -0.762 -12.297 1.00 0.00 H new ATOM 0 HD23 LEU A 45 6.321 -0.779 -11.457 1.00 0.00 H new ATOM 761 N ALA A 46 3.917 -0.249 -11.776 1.00 0.00 N ATOM 762 CA ALA A 46 3.854 0.895 -10.878 1.00 0.00 C ATOM 763 C ALA A 46 3.782 0.430 -9.430 1.00 0.00 C ATOM 764 O ALA A 46 3.392 -0.706 -9.152 1.00 0.00 O ATOM 765 CB ALA A 46 2.626 1.756 -11.201 1.00 0.00 C ATOM 0 H ALA A 46 3.437 -1.076 -11.422 1.00 0.00 H new ATOM 0 HA ALA A 46 4.757 1.490 -11.017 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.590 2.608 -10.522 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.692 2.113 -12.229 1.00 0.00 H new ATOM 0 HB3 ALA A 46 1.722 1.159 -11.082 1.00 0.00 H new ATOM 771 N GLU A 47 4.111 1.340 -8.517 1.00 0.00 N ATOM 772 CA GLU A 47 3.932 1.196 -7.082 1.00 0.00 C ATOM 773 C GLU A 47 2.804 2.145 -6.645 1.00 0.00 C ATOM 774 O GLU A 47 2.563 3.169 -7.297 1.00 0.00 O ATOM 775 CB GLU A 47 5.257 1.473 -6.350 1.00 0.00 C ATOM 776 CG GLU A 47 5.634 2.963 -6.314 1.00 0.00 C ATOM 777 CD GLU A 47 7.085 3.193 -5.881 1.00 0.00 C ATOM 778 OE1 GLU A 47 7.557 2.578 -4.899 1.00 0.00 O ATOM 779 OE2 GLU A 47 7.773 4.000 -6.536 1.00 0.00 O ATOM 0 H GLU A 47 4.527 2.235 -8.772 1.00 0.00 H new ATOM 0 HA GLU A 47 3.647 0.176 -6.823 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.184 1.099 -5.329 1.00 0.00 H new ATOM 0 HB3 GLU A 47 6.057 0.915 -6.837 1.00 0.00 H new ATOM 0 HG2 GLU A 47 5.480 3.397 -7.302 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.967 3.486 -5.629 1.00 0.00 H new ATOM 786 N GLY A 48 2.126 1.831 -5.540 1.00 0.00 N ATOM 787 CA GLY A 48 1.094 2.684 -4.962 1.00 0.00 C ATOM 788 C GLY A 48 0.285 1.952 -3.894 1.00 0.00 C ATOM 789 O GLY A 48 0.562 0.783 -3.611 1.00 0.00 O ATOM 0 H GLY A 48 2.282 0.968 -5.018 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.557 3.569 -4.525 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.426 3.031 -5.750 1.00 0.00 H new ATOM 793 N PRO A 49 -0.694 2.621 -3.264 1.00 0.00 N ATOM 794 CA PRO A 49 -1.605 1.973 -2.335 1.00 0.00 C ATOM 795 C PRO A 49 -2.563 1.033 -3.078 1.00 0.00 C ATOM 796 O PRO A 49 -2.816 1.191 -4.276 1.00 0.00 O ATOM 797 CB PRO A 49 -2.321 3.110 -1.600 1.00 0.00 C ATOM 798 CG PRO A 49 -2.276 4.275 -2.586 1.00 0.00 C ATOM 799 CD PRO A 49 -0.994 4.041 -3.388 1.00 0.00 C ATOM 0 HA PRO A 49 -1.088 1.333 -1.620 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -3.347 2.839 -1.349 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -1.819 3.359 -0.665 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -3.154 4.283 -3.232 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -2.252 5.234 -2.068 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -1.131 4.321 -4.433 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -0.176 4.648 -3.000 1.00 0.00 H new ATOM 807 N GLU A 50 -3.111 0.057 -2.351 1.00 0.00 N ATOM 808 CA GLU A 50 -3.887 -1.047 -2.912 1.00 0.00 C ATOM 809 C GLU A 50 -5.064 -0.539 -3.745 1.00 0.00 C ATOM 810 O GLU A 50 -5.242 -0.968 -4.885 1.00 0.00 O ATOM 811 CB GLU A 50 -4.374 -1.939 -1.755 1.00 0.00 C ATOM 812 CG GLU A 50 -5.045 -3.227 -2.248 1.00 0.00 C ATOM 813 CD GLU A 50 -5.511 -4.108 -1.075 1.00 0.00 C ATOM 814 OE1 GLU A 50 -6.597 -3.850 -0.508 1.00 0.00 O ATOM 815 OE2 GLU A 50 -4.806 -5.076 -0.712 1.00 0.00 O ATOM 0 H GLU A 50 -3.025 0.013 -1.336 1.00 0.00 H new ATOM 0 HA GLU A 50 -3.255 -1.626 -3.585 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -3.528 -2.195 -1.117 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -5.078 -1.379 -1.140 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -5.899 -2.975 -2.876 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -4.346 -3.787 -2.869 1.00 0.00 H new ATOM 822 N ASN A 51 -5.854 0.390 -3.198 1.00 0.00 N ATOM 823 CA ASN A 51 -7.064 0.863 -3.869 1.00 0.00 C ATOM 824 C ASN A 51 -6.729 1.635 -5.142 1.00 0.00 C ATOM 825 O ASN A 51 -7.430 1.486 -6.140 1.00 0.00 O ATOM 826 CB ASN A 51 -7.894 1.743 -2.925 1.00 0.00 C ATOM 827 CG ASN A 51 -9.171 2.214 -3.618 1.00 0.00 C ATOM 828 OD1 ASN A 51 -10.090 1.432 -3.839 1.00 0.00 O ATOM 829 ND2 ASN A 51 -9.260 3.485 -3.977 1.00 0.00 N ATOM 0 H ASN A 51 -5.676 0.827 -2.294 1.00 0.00 H new ATOM 0 HA ASN A 51 -7.650 -0.013 -4.147 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -8.147 1.183 -2.025 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -7.305 2.604 -2.610 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -10.101 3.825 -4.444 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -8.488 4.124 -3.787 1.00 0.00 H new ATOM 836 N ALA A 52 -5.656 2.432 -5.129 1.00 0.00 N ATOM 837 CA ALA A 52 -5.188 3.162 -6.302 1.00 0.00 C ATOM 838 C ALA A 52 -4.789 2.175 -7.398 1.00 0.00 C ATOM 839 O ALA A 52 -5.248 2.298 -8.535 1.00 0.00 O ATOM 840 CB ALA A 52 -3.996 4.041 -5.904 1.00 0.00 C ATOM 0 H ALA A 52 -5.087 2.587 -4.297 1.00 0.00 H new ATOM 0 HA ALA A 52 -5.985 3.799 -6.687 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -3.641 4.590 -6.776 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -4.306 4.747 -5.133 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -3.193 3.412 -5.519 1.00 0.00 H new ATOM 846 N LEU A 53 -3.970 1.177 -7.049 1.00 0.00 N ATOM 847 CA LEU A 53 -3.479 0.176 -7.990 1.00 0.00 C ATOM 848 C LEU A 53 -4.634 -0.627 -8.578 1.00 0.00 C ATOM 849 O LEU A 53 -4.681 -0.859 -9.782 1.00 0.00 O ATOM 850 CB LEU A 53 -2.492 -0.771 -7.283 1.00 0.00 C ATOM 851 CG LEU A 53 -1.131 -0.134 -6.944 1.00 0.00 C ATOM 852 CD1 LEU A 53 -0.396 -1.061 -5.984 1.00 0.00 C ATOM 853 CD2 LEU A 53 -0.230 0.088 -8.161 1.00 0.00 C ATOM 0 H LEU A 53 -3.629 1.044 -6.097 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.967 0.691 -8.802 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.950 -1.132 -6.362 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.324 -1.641 -7.918 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.341 0.845 -6.514 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.572 -0.629 -5.730 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.986 -1.187 -5.076 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.247 -2.031 -6.458 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.709 0.539 -7.841 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.027 -0.868 -8.643 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.729 0.751 -8.867 1.00 0.00 H new ATOM 865 N GLN A 54 -5.578 -1.052 -7.747 1.00 0.00 N ATOM 866 CA GLN A 54 -6.650 -1.932 -8.181 1.00 0.00 C ATOM 867 C GLN A 54 -7.725 -1.169 -8.957 1.00 0.00 C ATOM 868 O GLN A 54 -8.244 -1.687 -9.943 1.00 0.00 O ATOM 869 CB GLN A 54 -7.192 -2.724 -6.979 1.00 0.00 C ATOM 870 CG GLN A 54 -6.130 -3.749 -6.524 1.00 0.00 C ATOM 871 CD GLN A 54 -6.526 -4.609 -5.322 1.00 0.00 C ATOM 872 OE1 GLN A 54 -7.620 -4.510 -4.766 1.00 0.00 O ATOM 873 NE2 GLN A 54 -5.633 -5.490 -4.904 1.00 0.00 N ATOM 0 H GLN A 54 -5.620 -0.797 -6.760 1.00 0.00 H new ATOM 0 HA GLN A 54 -6.257 -2.661 -8.890 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -7.434 -2.046 -6.161 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -8.115 -3.236 -7.252 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -5.902 -4.408 -7.362 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -5.212 -3.213 -6.280 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -4.730 -5.563 -5.373 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -5.847 -6.097 -4.113 1.00 0.00 H new ATOM 882 N SER A 55 -8.010 0.084 -8.602 1.00 0.00 N ATOM 883 CA SER A 55 -8.929 0.913 -9.381 1.00 0.00 C ATOM 884 C SER A 55 -8.316 1.273 -10.742 1.00 0.00 C ATOM 885 O SER A 55 -9.026 1.306 -11.746 1.00 0.00 O ATOM 886 CB SER A 55 -9.313 2.170 -8.602 1.00 0.00 C ATOM 887 OG SER A 55 -9.809 1.853 -7.317 1.00 0.00 O ATOM 0 H SER A 55 -7.618 0.546 -7.781 1.00 0.00 H new ATOM 0 HA SER A 55 -9.838 0.339 -9.564 1.00 0.00 H new ATOM 0 HB2 SER A 55 -8.443 2.820 -8.507 1.00 0.00 H new ATOM 0 HB3 SER A 55 -10.068 2.727 -9.157 1.00 0.00 H new ATOM 0 HG SER A 55 -9.068 1.832 -6.676 1.00 0.00 H new ATOM 893 N PHE A 56 -6.997 1.486 -10.805 1.00 0.00 N ATOM 894 CA PHE A 56 -6.264 1.591 -12.056 1.00 0.00 C ATOM 895 C PHE A 56 -6.459 0.311 -12.873 1.00 0.00 C ATOM 896 O PHE A 56 -6.805 0.405 -14.046 1.00 0.00 O ATOM 897 CB PHE A 56 -4.782 1.871 -11.757 1.00 0.00 C ATOM 898 CG PHE A 56 -3.872 1.950 -12.962 1.00 0.00 C ATOM 899 CD1 PHE A 56 -3.537 0.782 -13.681 1.00 0.00 C ATOM 900 CD2 PHE A 56 -3.285 3.179 -13.317 1.00 0.00 C ATOM 901 CE1 PHE A 56 -2.677 0.855 -14.787 1.00 0.00 C ATOM 902 CE2 PHE A 56 -2.370 3.224 -14.375 1.00 0.00 C ATOM 903 CZ PHE A 56 -2.089 2.079 -15.129 1.00 0.00 C ATOM 0 H PHE A 56 -6.410 1.590 -9.978 1.00 0.00 H new ATOM 0 HA PHE A 56 -6.644 2.421 -12.652 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -4.712 2.811 -11.210 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -4.410 1.089 -11.095 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -3.944 -0.171 -13.378 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -3.539 4.080 -12.778 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -2.469 -0.029 -15.372 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -1.875 4.154 -14.613 1.00 0.00 H new ATOM 0 HZ PHE A 56 -1.419 2.139 -15.974 1.00 0.00 H new ATOM 913 N VAL A 57 -6.283 -0.876 -12.279 1.00 0.00 N ATOM 914 CA VAL A 57 -6.491 -2.136 -12.992 1.00 0.00 C ATOM 915 C VAL A 57 -7.907 -2.170 -13.577 1.00 0.00 C ATOM 916 O VAL A 57 -8.051 -2.529 -14.743 1.00 0.00 O ATOM 917 CB VAL A 57 -6.180 -3.344 -12.077 1.00 0.00 C ATOM 918 CG1 VAL A 57 -6.672 -4.683 -12.651 1.00 0.00 C ATOM 919 CG2 VAL A 57 -4.673 -3.478 -11.817 1.00 0.00 C ATOM 0 H VAL A 57 -5.997 -0.987 -11.306 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.795 -2.206 -13.828 1.00 0.00 H new ATOM 0 HB VAL A 57 -6.716 -3.138 -11.151 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -6.422 -5.489 -11.961 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -7.753 -4.645 -12.788 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -6.190 -4.866 -13.612 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -4.490 -4.337 -11.171 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -4.152 -3.619 -12.764 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -4.306 -2.574 -11.332 1.00 0.00 H new ATOM 929 N GLU A 58 -8.936 -1.745 -12.833 1.00 0.00 N ATOM 930 CA GLU A 58 -10.297 -1.682 -13.361 1.00 0.00 C ATOM 931 C GLU A 58 -10.392 -0.720 -14.550 1.00 0.00 C ATOM 932 O GLU A 58 -11.021 -1.058 -15.549 1.00 0.00 O ATOM 933 CB GLU A 58 -11.315 -1.299 -12.277 1.00 0.00 C ATOM 934 CG GLU A 58 -11.461 -2.390 -11.211 1.00 0.00 C ATOM 935 CD GLU A 58 -12.605 -2.076 -10.230 1.00 0.00 C ATOM 936 OE1 GLU A 58 -12.394 -1.325 -9.252 1.00 0.00 O ATOM 937 OE2 GLU A 58 -13.731 -2.594 -10.419 1.00 0.00 O ATOM 0 H GLU A 58 -8.848 -1.440 -11.864 1.00 0.00 H new ATOM 0 HA GLU A 58 -10.545 -2.684 -13.711 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -11.005 -0.368 -11.802 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -12.284 -1.113 -12.740 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -11.649 -3.349 -11.694 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -10.526 -2.488 -10.660 1.00 0.00 H new ATOM 944 N ALA A 59 -9.740 0.441 -14.474 1.00 0.00 N ATOM 945 CA ALA A 59 -9.700 1.427 -15.550 1.00 0.00 C ATOM 946 C ALA A 59 -9.119 0.821 -16.834 1.00 0.00 C ATOM 947 O ALA A 59 -9.650 1.076 -17.914 1.00 0.00 O ATOM 948 CB ALA A 59 -8.902 2.654 -15.086 1.00 0.00 C ATOM 0 H ALA A 59 -9.216 0.726 -13.647 1.00 0.00 H new ATOM 0 HA ALA A 59 -10.716 1.743 -15.786 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -8.870 3.392 -15.888 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -9.382 3.090 -14.210 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -7.886 2.352 -14.831 1.00 0.00 H new ATOM 954 N VAL A 60 -8.065 0.001 -16.742 1.00 0.00 N ATOM 955 CA VAL A 60 -7.514 -0.683 -17.912 1.00 0.00 C ATOM 956 C VAL A 60 -8.475 -1.802 -18.353 1.00 0.00 C ATOM 957 O VAL A 60 -8.880 -1.852 -19.516 1.00 0.00 O ATOM 958 CB VAL A 60 -6.089 -1.218 -17.628 1.00 0.00 C ATOM 959 CG1 VAL A 60 -5.415 -1.660 -18.932 1.00 0.00 C ATOM 960 CG2 VAL A 60 -5.169 -0.171 -16.975 1.00 0.00 C ATOM 0 H VAL A 60 -7.579 -0.203 -15.869 1.00 0.00 H new ATOM 0 HA VAL A 60 -7.419 0.029 -18.732 1.00 0.00 H new ATOM 0 HB VAL A 60 -6.221 -2.052 -16.939 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.414 -2.034 -18.716 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -6.005 -2.450 -19.397 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -5.346 -0.811 -19.612 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -4.186 -0.608 -16.802 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -5.072 0.691 -17.636 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -5.597 0.147 -16.024 1.00 0.00 H new ATOM 970 N LYS A 61 -8.869 -2.691 -17.433 1.00 0.00 N ATOM 971 CA LYS A 61 -9.622 -3.914 -17.725 1.00 0.00 C ATOM 972 C LYS A 61 -10.985 -3.616 -18.346 1.00 0.00 C ATOM 973 O LYS A 61 -11.409 -4.320 -19.263 1.00 0.00 O ATOM 974 CB LYS A 61 -9.764 -4.718 -16.419 1.00 0.00 C ATOM 975 CG LYS A 61 -10.414 -6.095 -16.624 1.00 0.00 C ATOM 976 CD LYS A 61 -10.416 -6.901 -15.319 1.00 0.00 C ATOM 977 CE LYS A 61 -11.070 -8.271 -15.547 1.00 0.00 C ATOM 978 NZ LYS A 61 -11.108 -9.092 -14.311 1.00 0.00 N ATOM 0 H LYS A 61 -8.667 -2.575 -16.440 1.00 0.00 H new ATOM 0 HA LYS A 61 -9.078 -4.501 -18.465 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -8.778 -4.851 -15.973 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -10.360 -4.144 -15.709 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -11.437 -5.969 -16.980 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -9.874 -6.645 -17.395 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -9.395 -7.032 -14.962 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -10.957 -6.355 -14.546 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -12.085 -8.129 -15.917 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -10.521 -8.808 -16.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -11.558 -10.007 -14.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -10.138 -9.252 -13.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -11.654 -8.593 -13.580 1.00 0.00 H new ATOM 992 N ASN A 62 -11.665 -2.572 -17.870 1.00 0.00 N ATOM 993 CA ASN A 62 -12.955 -2.123 -18.390 1.00 0.00 C ATOM 994 C ASN A 62 -12.848 -1.631 -19.840 1.00 0.00 C ATOM 995 O ASN A 62 -13.859 -1.564 -20.542 1.00 0.00 O ATOM 996 CB ASN A 62 -13.481 -0.991 -17.491 1.00 0.00 C ATOM 997 CG ASN A 62 -14.814 -0.419 -17.971 1.00 0.00 C ATOM 998 OD1 ASN A 62 -15.864 -1.029 -17.788 1.00 0.00 O ATOM 999 ND2 ASN A 62 -14.809 0.762 -18.566 1.00 0.00 N ATOM 0 H ASN A 62 -11.325 -2.003 -17.095 1.00 0.00 H new ATOM 0 HA ASN A 62 -13.643 -2.968 -18.385 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -13.598 -1.366 -16.474 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -12.741 -0.191 -17.453 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -15.685 1.179 -18.880 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -13.929 1.256 -18.711 1.00 0.00 H new ATOM 1006 N GLY A 63 -11.646 -1.260 -20.290 1.00 0.00 N ATOM 1007 CA GLY A 63 -11.486 -0.281 -21.349 1.00 0.00 C ATOM 1008 C GLY A 63 -11.819 1.109 -20.805 1.00 0.00 C ATOM 1009 O GLY A 63 -12.271 1.264 -19.667 1.00 0.00 O ATOM 0 H GLY A 63 -10.767 -1.631 -19.928 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -10.464 -0.301 -21.727 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -12.141 -0.523 -22.186 1.00 0.00 H new ATOM 1013 N SER A 64 -11.581 2.135 -21.608 1.00 0.00 N ATOM 1014 CA SER A 64 -11.531 3.507 -21.142 1.00 0.00 C ATOM 1015 C SER A 64 -12.217 4.431 -22.155 1.00 0.00 C ATOM 1016 O SER A 64 -12.709 3.954 -23.186 1.00 0.00 O ATOM 1017 CB SER A 64 -10.051 3.829 -20.901 1.00 0.00 C ATOM 1018 OG SER A 64 -9.361 4.064 -22.115 1.00 0.00 O ATOM 0 H SER A 64 -11.416 2.035 -22.610 1.00 0.00 H new ATOM 0 HA SER A 64 -12.076 3.658 -20.210 1.00 0.00 H new ATOM 0 HB2 SER A 64 -9.969 4.707 -20.260 1.00 0.00 H new ATOM 0 HB3 SER A 64 -9.581 3.002 -20.369 1.00 0.00 H new ATOM 0 HG SER A 64 -8.405 4.177 -21.931 1.00 0.00 H new ATOM 1024 N PRO A 65 -12.270 5.750 -21.894 1.00 0.00 N ATOM 1025 CA PRO A 65 -12.803 6.732 -22.827 1.00 0.00 C ATOM 1026 C PRO A 65 -12.270 6.643 -24.268 1.00 0.00 C ATOM 1027 O PRO A 65 -12.984 7.084 -25.173 1.00 0.00 O ATOM 1028 CB PRO A 65 -12.509 8.093 -22.189 1.00 0.00 C ATOM 1029 CG PRO A 65 -12.571 7.782 -20.695 1.00 0.00 C ATOM 1030 CD PRO A 65 -11.949 6.389 -20.621 1.00 0.00 C ATOM 0 HA PRO A 65 -13.868 6.548 -22.970 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -11.532 8.476 -22.483 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -13.245 8.843 -22.478 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -12.011 8.508 -20.106 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -13.595 7.790 -20.321 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -10.871 6.448 -20.473 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -12.355 5.822 -19.784 1.00 0.00 H new ATOM 1038 N PHE A 66 -11.070 6.087 -24.517 1.00 0.00 N ATOM 1039 CA PHE A 66 -10.544 5.947 -25.881 1.00 0.00 C ATOM 1040 C PHE A 66 -9.590 4.761 -26.122 1.00 0.00 C ATOM 1041 O PHE A 66 -9.146 4.595 -27.263 1.00 0.00 O ATOM 1042 CB PHE A 66 -9.948 7.288 -26.357 1.00 0.00 C ATOM 1043 CG PHE A 66 -8.989 8.000 -25.417 1.00 0.00 C ATOM 1044 CD1 PHE A 66 -7.719 7.457 -25.145 1.00 0.00 C ATOM 1045 CD2 PHE A 66 -9.340 9.248 -24.865 1.00 0.00 C ATOM 1046 CE1 PHE A 66 -6.795 8.175 -24.368 1.00 0.00 C ATOM 1047 CE2 PHE A 66 -8.421 9.956 -24.068 1.00 0.00 C ATOM 1048 CZ PHE A 66 -7.142 9.425 -23.830 1.00 0.00 C ATOM 0 H PHE A 66 -10.450 5.729 -23.791 1.00 0.00 H new ATOM 0 HA PHE A 66 -11.405 5.688 -26.498 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -9.427 7.110 -27.298 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -10.774 7.966 -26.573 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -7.454 6.485 -25.535 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -10.319 9.663 -25.054 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -5.813 7.764 -24.184 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -8.699 10.908 -23.639 1.00 0.00 H new ATOM 0 HZ PHE A 66 -6.428 9.976 -23.236 1.00 0.00 H new ATOM 1058 N SER A 67 -9.320 3.897 -25.141 1.00 0.00 N ATOM 1059 CA SER A 67 -8.483 2.702 -25.305 1.00 0.00 C ATOM 1060 C SER A 67 -9.261 1.477 -24.816 1.00 0.00 C ATOM 1061 O SER A 67 -10.209 1.629 -24.039 1.00 0.00 O ATOM 1062 CB SER A 67 -7.176 2.877 -24.519 1.00 0.00 C ATOM 1063 OG SER A 67 -6.510 4.069 -24.892 1.00 0.00 O ATOM 0 H SER A 67 -9.682 4.008 -24.194 1.00 0.00 H new ATOM 0 HA SER A 67 -8.230 2.559 -26.356 1.00 0.00 H new ATOM 0 HB2 SER A 67 -7.391 2.897 -23.451 1.00 0.00 H new ATOM 0 HB3 SER A 67 -6.524 2.022 -24.697 1.00 0.00 H new ATOM 0 HG SER A 67 -5.682 4.157 -24.375 1.00 0.00 H new ATOM 1069 N LYS A 68 -8.899 0.257 -25.239 1.00 0.00 N ATOM 1070 CA LYS A 68 -9.511 -0.951 -24.670 1.00 0.00 C ATOM 1071 C LYS A 68 -8.610 -2.158 -24.849 1.00 0.00 C ATOM 1072 O LYS A 68 -7.938 -2.290 -25.872 1.00 0.00 O ATOM 1073 CB LYS A 68 -10.944 -1.215 -25.197 1.00 0.00 C ATOM 1074 CG LYS A 68 -11.112 -1.948 -26.540 1.00 0.00 C ATOM 1075 CD LYS A 68 -10.550 -1.188 -27.750 1.00 0.00 C ATOM 1076 CE LYS A 68 -10.833 -1.904 -29.082 1.00 0.00 C ATOM 1077 NZ LYS A 68 -12.273 -1.903 -29.452 1.00 0.00 N ATOM 0 H LYS A 68 -8.199 0.082 -25.960 1.00 0.00 H new ATOM 0 HA LYS A 68 -9.620 -0.769 -23.601 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -11.475 -1.789 -24.438 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -11.449 -0.252 -25.280 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -10.620 -2.918 -26.475 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -12.172 -2.139 -26.706 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -10.984 -0.188 -27.780 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -9.474 -1.065 -27.629 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -10.260 -1.423 -29.875 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -10.482 -2.934 -29.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -12.393 -2.354 -30.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -12.815 -2.430 -28.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -12.620 -0.923 -29.496 1.00 0.00 H new ATOM 1091 N VAL A 69 -8.641 -3.057 -23.874 1.00 0.00 N ATOM 1092 CA VAL A 69 -7.980 -4.345 -23.976 1.00 0.00 C ATOM 1093 C VAL A 69 -8.899 -5.322 -24.712 1.00 0.00 C ATOM 1094 O VAL A 69 -10.126 -5.191 -24.683 1.00 0.00 O ATOM 1095 CB VAL A 69 -7.583 -4.860 -22.576 1.00 0.00 C ATOM 1096 CG1 VAL A 69 -6.587 -3.893 -21.925 1.00 0.00 C ATOM 1097 CG2 VAL A 69 -8.763 -5.067 -21.612 1.00 0.00 C ATOM 0 H VAL A 69 -9.127 -2.910 -22.989 1.00 0.00 H new ATOM 0 HA VAL A 69 -7.058 -4.247 -24.549 1.00 0.00 H new ATOM 0 HB VAL A 69 -7.140 -5.841 -22.747 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -6.312 -4.264 -20.938 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.694 -3.818 -22.546 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -7.046 -2.909 -21.828 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -8.391 -5.430 -20.654 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -9.283 -4.120 -21.465 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -9.453 -5.798 -22.033 1.00 0.00 H new ATOM 1107 N THR A 70 -8.295 -6.341 -25.309 1.00 0.00 N ATOM 1108 CA THR A 70 -8.947 -7.552 -25.785 1.00 0.00 C ATOM 1109 C THR A 70 -8.302 -8.782 -25.114 1.00 0.00 C ATOM 1110 O THR A 70 -8.890 -9.865 -25.131 1.00 0.00 O ATOM 1111 CB THR A 70 -8.914 -7.586 -27.327 1.00 0.00 C ATOM 1112 OG1 THR A 70 -7.607 -7.367 -27.827 1.00 0.00 O ATOM 1113 CG2 THR A 70 -9.811 -6.495 -27.930 1.00 0.00 C ATOM 0 H THR A 70 -7.290 -6.345 -25.482 1.00 0.00 H new ATOM 0 HA THR A 70 -10.000 -7.567 -25.503 1.00 0.00 H new ATOM 0 HB THR A 70 -9.268 -8.577 -27.611 1.00 0.00 H new ATOM 0 HG1 THR A 70 -7.622 -7.397 -28.806 1.00 0.00 H new ATOM 0 HG21 THR A 70 -9.765 -6.546 -29.018 1.00 0.00 H new ATOM 0 HG22 THR A 70 -10.839 -6.647 -27.603 1.00 0.00 H new ATOM 0 HG23 THR A 70 -9.466 -5.516 -27.598 1.00 0.00 H new ATOM 1121 N ASP A 71 -7.148 -8.616 -24.449 1.00 0.00 N ATOM 1122 CA ASP A 71 -6.565 -9.576 -23.514 1.00 0.00 C ATOM 1123 C ASP A 71 -5.763 -8.798 -22.469 1.00 0.00 C ATOM 1124 O ASP A 71 -5.186 -7.752 -22.779 1.00 0.00 O ATOM 1125 CB ASP A 71 -5.656 -10.569 -24.249 1.00 0.00 C ATOM 1126 CG ASP A 71 -4.973 -11.533 -23.266 1.00 0.00 C ATOM 1127 OD1 ASP A 71 -5.687 -12.265 -22.545 1.00 0.00 O ATOM 1128 OD2 ASP A 71 -3.725 -11.575 -23.223 1.00 0.00 O ATOM 0 H ASP A 71 -6.578 -7.777 -24.556 1.00 0.00 H new ATOM 0 HA ASP A 71 -7.358 -10.148 -23.032 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -6.243 -11.137 -24.971 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -4.899 -10.024 -24.813 1.00 0.00 H new ATOM 1133 N ILE A 72 -5.740 -9.285 -21.228 1.00 0.00 N ATOM 1134 CA ILE A 72 -5.094 -8.638 -20.093 1.00 0.00 C ATOM 1135 C ILE A 72 -4.653 -9.721 -19.102 1.00 0.00 C ATOM 1136 O ILE A 72 -5.369 -10.707 -18.898 1.00 0.00 O ATOM 1137 CB ILE A 72 -6.044 -7.582 -19.462 1.00 0.00 C ATOM 1138 CG1 ILE A 72 -5.410 -6.948 -18.200 1.00 0.00 C ATOM 1139 CG2 ILE A 72 -7.457 -8.122 -19.152 1.00 0.00 C ATOM 1140 CD1 ILE A 72 -6.077 -5.643 -17.744 1.00 0.00 C ATOM 0 H ILE A 72 -6.185 -10.169 -20.981 1.00 0.00 H new ATOM 0 HA ILE A 72 -4.205 -8.092 -20.410 1.00 0.00 H new ATOM 0 HB ILE A 72 -6.175 -6.811 -20.221 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -5.455 -7.669 -17.384 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -4.356 -6.754 -18.396 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -8.062 -7.328 -18.714 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -7.925 -8.468 -20.074 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -7.383 -8.952 -18.449 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -5.571 -5.267 -16.855 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -6.009 -4.902 -18.540 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -7.125 -5.832 -17.513 1.00 0.00 H new ATOM 1152 N SER A 73 -3.508 -9.501 -18.459 1.00 0.00 N ATOM 1153 CA SER A 73 -2.988 -10.293 -17.354 1.00 0.00 C ATOM 1154 C SER A 73 -2.392 -9.319 -16.335 1.00 0.00 C ATOM 1155 O SER A 73 -1.851 -8.277 -16.716 1.00 0.00 O ATOM 1156 CB SER A 73 -1.918 -11.270 -17.868 1.00 0.00 C ATOM 1157 OG SER A 73 -2.437 -12.145 -18.859 1.00 0.00 O ATOM 0 H SER A 73 -2.891 -8.728 -18.709 1.00 0.00 H new ATOM 0 HA SER A 73 -3.778 -10.884 -16.890 1.00 0.00 H new ATOM 0 HB2 SER A 73 -1.081 -10.708 -18.282 1.00 0.00 H new ATOM 0 HB3 SER A 73 -1.529 -11.855 -17.034 1.00 0.00 H new ATOM 0 HG SER A 73 -1.729 -12.750 -19.164 1.00 0.00 H new ATOM 1163 N VAL A 74 -2.500 -9.643 -15.046 1.00 0.00 N ATOM 1164 CA VAL A 74 -2.082 -8.783 -13.942 1.00 0.00 C ATOM 1165 C VAL A 74 -1.401 -9.663 -12.890 1.00 0.00 C ATOM 1166 O VAL A 74 -1.818 -10.801 -12.655 1.00 0.00 O ATOM 1167 CB VAL A 74 -3.306 -8.030 -13.358 1.00 0.00 C ATOM 1168 CG1 VAL A 74 -2.910 -7.046 -12.244 1.00 0.00 C ATOM 1169 CG2 VAL A 74 -4.089 -7.263 -14.439 1.00 0.00 C ATOM 0 H VAL A 74 -2.890 -10.533 -14.735 1.00 0.00 H new ATOM 0 HA VAL A 74 -1.378 -8.025 -14.286 1.00 0.00 H new ATOM 0 HB VAL A 74 -3.945 -8.806 -12.937 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -3.802 -6.544 -11.868 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -2.430 -7.591 -11.431 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -2.217 -6.305 -12.643 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -4.936 -6.752 -13.981 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -3.435 -6.530 -14.911 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -4.451 -7.963 -15.192 1.00 0.00 H new ATOM 1179 N THR A 75 -0.374 -9.115 -12.247 1.00 0.00 N ATOM 1180 CA THR A 75 0.295 -9.659 -11.074 1.00 0.00 C ATOM 1181 C THR A 75 0.378 -8.503 -10.067 1.00 0.00 C ATOM 1182 O THR A 75 0.449 -7.340 -10.471 1.00 0.00 O ATOM 1183 CB THR A 75 1.685 -10.195 -11.483 1.00 0.00 C ATOM 1184 OG1 THR A 75 1.589 -11.054 -12.608 1.00 0.00 O ATOM 1185 CG2 THR A 75 2.378 -10.979 -10.364 1.00 0.00 C ATOM 0 H THR A 75 0.035 -8.231 -12.549 1.00 0.00 H new ATOM 0 HA THR A 75 -0.237 -10.499 -10.627 1.00 0.00 H new ATOM 0 HB THR A 75 2.277 -9.310 -11.715 1.00 0.00 H new ATOM 0 HG1 THR A 75 2.482 -11.379 -12.849 1.00 0.00 H new ATOM 0 HG21 THR A 75 3.350 -11.329 -10.713 1.00 0.00 H new ATOM 0 HG22 THR A 75 2.515 -10.332 -9.498 1.00 0.00 H new ATOM 0 HG23 THR A 75 1.763 -11.834 -10.084 1.00 0.00 H new ATOM 1193 N GLU A 76 0.385 -8.794 -8.767 1.00 0.00 N ATOM 1194 CA GLU A 76 0.496 -7.786 -7.718 1.00 0.00 C ATOM 1195 C GLU A 76 1.536 -8.257 -6.704 1.00 0.00 C ATOM 1196 O GLU A 76 1.663 -9.459 -6.447 1.00 0.00 O ATOM 1197 CB GLU A 76 -0.865 -7.535 -7.052 1.00 0.00 C ATOM 1198 CG GLU A 76 -1.848 -6.797 -7.972 1.00 0.00 C ATOM 1199 CD GLU A 76 -3.194 -6.566 -7.269 1.00 0.00 C ATOM 1200 OE1 GLU A 76 -3.277 -5.688 -6.382 1.00 0.00 O ATOM 1201 OE2 GLU A 76 -4.182 -7.263 -7.597 1.00 0.00 O ATOM 0 H GLU A 76 0.313 -9.747 -8.410 1.00 0.00 H new ATOM 0 HA GLU A 76 0.815 -6.837 -8.148 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -1.300 -8.489 -6.753 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -0.718 -6.953 -6.142 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -1.422 -5.840 -8.272 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -2.004 -7.376 -8.882 1.00 0.00 H new ATOM 1208 N SER A 77 2.266 -7.299 -6.135 1.00 0.00 N ATOM 1209 CA SER A 77 3.469 -7.524 -5.342 1.00 0.00 C ATOM 1210 C SER A 77 3.565 -6.449 -4.252 1.00 0.00 C ATOM 1211 O SER A 77 2.655 -5.627 -4.113 1.00 0.00 O ATOM 1212 CB SER A 77 4.702 -7.495 -6.271 1.00 0.00 C ATOM 1213 OG SER A 77 4.545 -8.331 -7.408 1.00 0.00 O ATOM 0 H SER A 77 2.026 -6.311 -6.218 1.00 0.00 H new ATOM 0 HA SER A 77 3.429 -8.499 -4.857 1.00 0.00 H new ATOM 0 HB2 SER A 77 4.882 -6.471 -6.599 1.00 0.00 H new ATOM 0 HB3 SER A 77 5.583 -7.810 -5.711 1.00 0.00 H new ATOM 0 HG SER A 77 5.349 -8.279 -7.966 1.00 0.00 H new ATOM 1219 N ARG A 78 4.644 -6.444 -3.459 1.00 0.00 N ATOM 1220 CA ARG A 78 4.860 -5.481 -2.366 1.00 0.00 C ATOM 1221 C ARG A 78 6.237 -4.804 -2.492 1.00 0.00 C ATOM 1222 O ARG A 78 6.700 -4.163 -1.550 1.00 0.00 O ATOM 1223 CB ARG A 78 4.707 -6.161 -0.980 1.00 0.00 C ATOM 1224 CG ARG A 78 3.674 -7.295 -0.835 1.00 0.00 C ATOM 1225 CD ARG A 78 2.238 -6.780 -0.911 1.00 0.00 C ATOM 1226 NE ARG A 78 1.263 -7.882 -1.008 1.00 0.00 N ATOM 1227 CZ ARG A 78 0.455 -8.160 -2.040 1.00 0.00 C ATOM 1228 NH1 ARG A 78 0.492 -7.446 -3.166 1.00 0.00 N ATOM 1229 NH2 ARG A 78 -0.403 -9.170 -1.938 1.00 0.00 N ATOM 0 H ARG A 78 5.404 -7.117 -3.558 1.00 0.00 H new ATOM 0 HA ARG A 78 4.093 -4.710 -2.448 1.00 0.00 H new ATOM 0 HB2 ARG A 78 5.681 -6.559 -0.695 1.00 0.00 H new ATOM 0 HB3 ARG A 78 4.455 -5.387 -0.255 1.00 0.00 H new ATOM 0 HG2 ARG A 78 3.835 -8.034 -1.620 1.00 0.00 H new ATOM 0 HG3 ARG A 78 3.826 -7.803 0.117 1.00 0.00 H new ATOM 0 HD2 ARG A 78 2.020 -6.180 -0.028 1.00 0.00 H new ATOM 0 HD3 ARG A 78 2.133 -6.125 -1.776 1.00 0.00 H new ATOM 0 HE ARG A 78 1.196 -8.501 -0.200 1.00 0.00 H new ATOM 0 HH11 ARG A 78 1.146 -6.668 -3.256 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -0.134 -7.678 -3.938 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -0.441 -9.723 -1.082 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -1.024 -9.392 -2.716 1.00 0.00 H new ATOM 1243 N SER A 79 6.922 -4.996 -3.622 1.00 0.00 N ATOM 1244 CA SER A 79 8.357 -4.778 -3.773 1.00 0.00 C ATOM 1245 C SER A 79 8.780 -3.304 -3.671 1.00 0.00 C ATOM 1246 O SER A 79 9.892 -3.030 -3.213 1.00 0.00 O ATOM 1247 CB SER A 79 8.782 -5.359 -5.128 1.00 0.00 C ATOM 1248 OG SER A 79 8.126 -6.601 -5.368 1.00 0.00 O ATOM 0 H SER A 79 6.477 -5.317 -4.482 1.00 0.00 H new ATOM 0 HA SER A 79 8.858 -5.279 -2.944 1.00 0.00 H new ATOM 0 HB2 SER A 79 8.541 -4.654 -5.924 1.00 0.00 H new ATOM 0 HB3 SER A 79 9.862 -5.503 -5.146 1.00 0.00 H new ATOM 0 HG SER A 79 8.407 -6.957 -6.237 1.00 0.00 H new ATOM 1254 N LEU A 80 7.892 -2.375 -4.060 1.00 0.00 N ATOM 1255 CA LEU A 80 8.153 -0.938 -4.233 1.00 0.00 C ATOM 1256 C LEU A 80 9.206 -0.673 -5.320 1.00 0.00 C ATOM 1257 O LEU A 80 9.846 -1.593 -5.833 1.00 0.00 O ATOM 1258 CB LEU A 80 8.543 -0.242 -2.908 1.00 0.00 C ATOM 1259 CG LEU A 80 7.668 -0.569 -1.686 1.00 0.00 C ATOM 1260 CD1 LEU A 80 8.116 0.280 -0.491 1.00 0.00 C ATOM 1261 CD2 LEU A 80 6.179 -0.327 -1.948 1.00 0.00 C ATOM 0 H LEU A 80 6.925 -2.619 -4.273 1.00 0.00 H new ATOM 0 HA LEU A 80 7.212 -0.499 -4.563 1.00 0.00 H new ATOM 0 HB2 LEU A 80 9.574 -0.507 -2.672 1.00 0.00 H new ATOM 0 HB3 LEU A 80 8.520 0.836 -3.067 1.00 0.00 H new ATOM 0 HG LEU A 80 7.796 -1.630 -1.473 1.00 0.00 H new ATOM 0 HD11 LEU A 80 7.495 0.047 0.374 1.00 0.00 H new ATOM 0 HD12 LEU A 80 9.158 0.061 -0.259 1.00 0.00 H new ATOM 0 HD13 LEU A 80 8.014 1.337 -0.737 1.00 0.00 H new ATOM 0 HD21 LEU A 80 5.607 -0.574 -1.053 1.00 0.00 H new ATOM 0 HD22 LEU A 80 6.020 0.721 -2.203 1.00 0.00 H new ATOM 0 HD23 LEU A 80 5.848 -0.956 -2.775 1.00 0.00 H new ATOM 1273 N GLU A 81 9.393 0.599 -5.673 1.00 0.00 N ATOM 1274 CA GLU A 81 10.384 1.053 -6.647 1.00 0.00 C ATOM 1275 C GLU A 81 11.073 2.344 -6.185 1.00 0.00 C ATOM 1276 O GLU A 81 12.250 2.544 -6.494 1.00 0.00 O ATOM 1277 CB GLU A 81 9.729 1.286 -8.023 1.00 0.00 C ATOM 1278 CG GLU A 81 9.154 0.025 -8.686 1.00 0.00 C ATOM 1279 CD GLU A 81 10.200 -1.091 -8.928 1.00 0.00 C ATOM 1280 OE1 GLU A 81 11.404 -0.797 -9.110 1.00 0.00 O ATOM 1281 OE2 GLU A 81 9.811 -2.280 -8.985 1.00 0.00 O ATOM 0 H GLU A 81 8.844 1.362 -5.278 1.00 0.00 H new ATOM 0 HA GLU A 81 11.136 0.269 -6.733 1.00 0.00 H new ATOM 0 HB2 GLU A 81 8.928 2.017 -7.909 1.00 0.00 H new ATOM 0 HB3 GLU A 81 10.469 1.726 -8.692 1.00 0.00 H new ATOM 0 HG2 GLU A 81 8.354 -0.370 -8.060 1.00 0.00 H new ATOM 0 HG3 GLU A 81 8.705 0.301 -9.640 1.00 0.00 H new ATOM 1288 N GLY A 82 10.383 3.208 -5.432 1.00 0.00 N ATOM 1289 CA GLY A 82 10.885 4.535 -5.088 1.00 0.00 C ATOM 1290 C GLY A 82 11.010 5.426 -6.330 1.00 0.00 C ATOM 1291 O GLY A 82 11.908 6.267 -6.399 1.00 0.00 O ATOM 0 H GLY A 82 9.461 3.003 -5.046 1.00 0.00 H new ATOM 0 HA2 GLY A 82 10.214 5.004 -4.368 1.00 0.00 H new ATOM 0 HA3 GLY A 82 11.858 4.444 -4.605 1.00 0.00 H new ATOM 1295 N HIS A 83 10.151 5.210 -7.330 1.00 0.00 N ATOM 1296 CA HIS A 83 10.038 6.030 -8.525 1.00 0.00 C ATOM 1297 C HIS A 83 9.370 7.364 -8.153 1.00 0.00 C ATOM 1298 O HIS A 83 8.767 7.492 -7.081 1.00 0.00 O ATOM 1299 CB HIS A 83 9.238 5.239 -9.578 1.00 0.00 C ATOM 1300 CG HIS A 83 9.475 5.675 -11.003 1.00 0.00 C ATOM 1301 ND1 HIS A 83 8.529 6.120 -11.897 1.00 0.00 N ATOM 1302 CD2 HIS A 83 10.661 5.597 -11.688 1.00 0.00 C ATOM 1303 CE1 HIS A 83 9.125 6.301 -13.084 1.00 0.00 C ATOM 1304 NE2 HIS A 83 10.434 6.008 -13.009 1.00 0.00 N ATOM 0 H HIS A 83 9.494 4.430 -7.323 1.00 0.00 H new ATOM 0 HA HIS A 83 11.014 6.264 -8.949 1.00 0.00 H new ATOM 0 HB2 HIS A 83 9.490 4.182 -9.488 1.00 0.00 H new ATOM 0 HB3 HIS A 83 8.175 5.334 -9.355 1.00 0.00 H new ATOM 0 HD1 HIS A 83 7.543 6.284 -11.692 1.00 0.00 H new ATOM 0 HD2 HIS A 83 11.607 5.274 -11.280 1.00 0.00 H new ATOM 0 HE1 HIS A 83 8.622 6.637 -13.979 1.00 0.00 H new ATOM 1312 N HIS A 84 9.470 8.371 -9.025 1.00 0.00 N ATOM 1313 CA HIS A 84 9.005 9.738 -8.747 1.00 0.00 C ATOM 1314 C HIS A 84 8.173 10.305 -9.910 1.00 0.00 C ATOM 1315 O HIS A 84 7.911 11.509 -9.954 1.00 0.00 O ATOM 1316 CB HIS A 84 10.217 10.643 -8.432 1.00 0.00 C ATOM 1317 CG HIS A 84 11.006 10.307 -7.184 1.00 0.00 C ATOM 1318 ND1 HIS A 84 10.643 9.454 -6.163 1.00 0.00 N ATOM 1319 CD2 HIS A 84 12.215 10.850 -6.834 1.00 0.00 C ATOM 1320 CE1 HIS A 84 11.614 9.466 -5.237 1.00 0.00 C ATOM 1321 NE2 HIS A 84 12.599 10.311 -5.597 1.00 0.00 N ATOM 0 H HIS A 84 9.879 8.262 -9.953 1.00 0.00 H new ATOM 0 HA HIS A 84 8.348 9.709 -7.877 1.00 0.00 H new ATOM 0 HB2 HIS A 84 10.896 10.612 -9.284 1.00 0.00 H new ATOM 0 HB3 HIS A 84 9.862 11.670 -8.345 1.00 0.00 H new ATOM 0 HD1 HIS A 84 9.783 8.907 -6.119 1.00 0.00 H new ATOM 0 HD2 HIS A 84 12.776 11.570 -7.412 1.00 0.00 H new ATOM 0 HE1 HIS A 84 11.607 8.880 -4.330 1.00 0.00 H new ATOM 1329 N ARG A 85 7.776 9.466 -10.876 1.00 0.00 N ATOM 1330 CA ARG A 85 7.118 9.888 -12.114 1.00 0.00 C ATOM 1331 C ARG A 85 6.109 8.826 -12.534 1.00 0.00 C ATOM 1332 O ARG A 85 6.200 7.681 -12.078 1.00 0.00 O ATOM 1333 CB ARG A 85 8.149 10.055 -13.256 1.00 0.00 C ATOM 1334 CG ARG A 85 9.512 10.658 -12.882 1.00 0.00 C ATOM 1335 CD ARG A 85 10.417 10.828 -14.112 1.00 0.00 C ATOM 1336 NE ARG A 85 10.000 11.959 -14.962 1.00 0.00 N ATOM 1337 CZ ARG A 85 9.349 11.902 -16.133 1.00 0.00 C ATOM 1338 NH1 ARG A 85 8.955 10.746 -16.660 1.00 0.00 N ATOM 1339 NH2 ARG A 85 9.087 13.032 -16.784 1.00 0.00 N ATOM 0 H ARG A 85 7.907 8.456 -10.815 1.00 0.00 H new ATOM 0 HA ARG A 85 6.625 10.843 -11.931 1.00 0.00 H new ATOM 0 HB2 ARG A 85 8.323 9.076 -13.702 1.00 0.00 H new ATOM 0 HB3 ARG A 85 7.702 10.682 -14.028 1.00 0.00 H new ATOM 0 HG2 ARG A 85 9.362 11.626 -12.404 1.00 0.00 H new ATOM 0 HG3 ARG A 85 10.006 10.016 -12.153 1.00 0.00 H new ATOM 0 HD2 ARG A 85 11.445 10.982 -13.785 1.00 0.00 H new ATOM 0 HD3 ARG A 85 10.403 9.910 -14.700 1.00 0.00 H new ATOM 0 HE ARG A 85 10.234 12.891 -14.620 1.00 0.00 H new ATOM 0 HH11 ARG A 85 9.146 9.871 -16.171 1.00 0.00 H new ATOM 0 HH12 ARG A 85 8.462 10.734 -17.553 1.00 0.00 H new ATOM 0 HH21 ARG A 85 9.381 13.927 -16.391 1.00 0.00 H new ATOM 0 HH22 ARG A 85 8.593 13.004 -17.676 1.00 0.00 H new ATOM 1353 N PHE A 86 5.241 9.153 -13.488 1.00 0.00 N ATOM 1354 CA PHE A 86 4.894 8.180 -14.515 1.00 0.00 C ATOM 1355 C PHE A 86 5.915 8.372 -15.641 1.00 0.00 C ATOM 1356 O PHE A 86 6.269 9.510 -15.957 1.00 0.00 O ATOM 1357 CB PHE A 86 3.452 8.374 -15.008 1.00 0.00 C ATOM 1358 CG PHE A 86 3.118 9.753 -15.555 1.00 0.00 C ATOM 1359 CD1 PHE A 86 3.404 10.087 -16.895 1.00 0.00 C ATOM 1360 CD2 PHE A 86 2.516 10.708 -14.716 1.00 0.00 C ATOM 1361 CE1 PHE A 86 3.099 11.367 -17.388 1.00 0.00 C ATOM 1362 CE2 PHE A 86 2.227 11.995 -15.205 1.00 0.00 C ATOM 1363 CZ PHE A 86 2.515 12.325 -16.541 1.00 0.00 C ATOM 0 H PHE A 86 4.777 10.058 -13.570 1.00 0.00 H new ATOM 0 HA PHE A 86 4.932 7.162 -14.127 1.00 0.00 H new ATOM 0 HB2 PHE A 86 3.252 7.637 -15.786 1.00 0.00 H new ATOM 0 HB3 PHE A 86 2.774 8.158 -14.183 1.00 0.00 H new ATOM 0 HD1 PHE A 86 3.860 9.355 -17.546 1.00 0.00 H new ATOM 0 HD2 PHE A 86 2.275 10.453 -13.695 1.00 0.00 H new ATOM 0 HE1 PHE A 86 3.313 11.615 -18.417 1.00 0.00 H new ATOM 0 HE2 PHE A 86 1.783 12.732 -14.552 1.00 0.00 H new ATOM 0 HZ PHE A 86 2.288 13.312 -16.916 1.00 0.00 H new ATOM 1373 N SER A 87 6.359 7.286 -16.268 1.00 0.00 N ATOM 1374 CA SER A 87 7.298 7.328 -17.389 1.00 0.00 C ATOM 1375 C SER A 87 6.822 6.426 -18.529 1.00 0.00 C ATOM 1376 O SER A 87 5.936 5.582 -18.357 1.00 0.00 O ATOM 1377 CB SER A 87 8.708 6.967 -16.901 1.00 0.00 C ATOM 1378 OG SER A 87 9.192 7.939 -15.984 1.00 0.00 O ATOM 0 H SER A 87 6.075 6.341 -16.010 1.00 0.00 H new ATOM 0 HA SER A 87 7.339 8.340 -17.791 1.00 0.00 H new ATOM 0 HB2 SER A 87 8.692 5.987 -16.424 1.00 0.00 H new ATOM 0 HB3 SER A 87 9.385 6.896 -17.753 1.00 0.00 H new ATOM 0 HG SER A 87 10.091 7.688 -15.685 1.00 0.00 H new ATOM 1384 N ILE A 88 7.382 6.627 -19.720 1.00 0.00 N ATOM 1385 CA ILE A 88 6.953 5.987 -20.951 1.00 0.00 C ATOM 1386 C ILE A 88 8.256 5.611 -21.655 1.00 0.00 C ATOM 1387 O ILE A 88 9.145 6.454 -21.808 1.00 0.00 O ATOM 1388 CB ILE A 88 6.053 6.947 -21.780 1.00 0.00 C ATOM 1389 CG1 ILE A 88 4.875 7.501 -20.936 1.00 0.00 C ATOM 1390 CG2 ILE A 88 5.521 6.214 -23.022 1.00 0.00 C ATOM 1391 CD1 ILE A 88 3.799 8.303 -21.682 1.00 0.00 C ATOM 0 H ILE A 88 8.171 7.260 -19.854 1.00 0.00 H new ATOM 0 HA ILE A 88 6.334 5.104 -20.792 1.00 0.00 H new ATOM 0 HB ILE A 88 6.661 7.797 -22.090 1.00 0.00 H new ATOM 0 HG12 ILE A 88 4.389 6.661 -20.441 1.00 0.00 H new ATOM 0 HG13 ILE A 88 5.289 8.136 -20.153 1.00 0.00 H new ATOM 0 HG21 ILE A 88 4.891 6.889 -23.601 1.00 0.00 H new ATOM 0 HG22 ILE A 88 6.359 5.884 -23.636 1.00 0.00 H new ATOM 0 HG23 ILE A 88 4.936 5.349 -22.711 1.00 0.00 H new ATOM 0 HD11 ILE A 88 3.035 8.631 -20.977 1.00 0.00 H new ATOM 0 HD12 ILE A 88 4.255 9.173 -22.154 1.00 0.00 H new ATOM 0 HD13 ILE A 88 3.341 7.675 -22.446 1.00 0.00 H new ATOM 1403 N VAL A 89 8.388 4.344 -22.042 1.00 0.00 N ATOM 1404 CA VAL A 89 9.598 3.781 -22.632 1.00 0.00 C ATOM 1405 C VAL A 89 9.177 2.855 -23.782 1.00 0.00 C ATOM 1406 O VAL A 89 8.005 2.481 -23.890 1.00 0.00 O ATOM 1407 CB VAL A 89 10.450 3.129 -21.508 1.00 0.00 C ATOM 1408 CG1 VAL A 89 9.735 2.000 -20.748 1.00 0.00 C ATOM 1409 CG2 VAL A 89 11.816 2.623 -21.994 1.00 0.00 C ATOM 0 H VAL A 89 7.634 3.663 -21.951 1.00 0.00 H new ATOM 0 HA VAL A 89 10.252 4.531 -23.078 1.00 0.00 H new ATOM 0 HB VAL A 89 10.608 3.952 -20.811 1.00 0.00 H new ATOM 0 HG11 VAL A 89 10.399 1.600 -19.982 1.00 0.00 H new ATOM 0 HG12 VAL A 89 8.833 2.392 -20.278 1.00 0.00 H new ATOM 0 HG13 VAL A 89 9.465 1.206 -21.445 1.00 0.00 H new ATOM 0 HG21 VAL A 89 12.358 2.180 -21.159 1.00 0.00 H new ATOM 0 HG22 VAL A 89 11.671 1.873 -22.771 1.00 0.00 H new ATOM 0 HG23 VAL A 89 12.390 3.457 -22.398 1.00 0.00 H new