USER MOD reduce.3.24.130724 H: found=0, std=0, add=647, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 645 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 25 ASN : amide:sc= -11.3! C(o=-19!,f=-22!) USER MOD Set 1.2: A 69 GLN : amide:sc= -8.08! C(o=-19!,f=-20!) USER MOD Set 2.1: A 49 THR OG1 : rot 180:sc= 0.066 USER MOD Set 2.2: A 51 HIS : no HE2:sc= -5.69! C(o=-5.6!,f=-3.5!) USER MOD Set 3.1: A 32 GLN : amide:sc= -0.494 X(o=-1.2,f=-1.1) USER MOD Set 3.2: A 34 HIS : no HD1:sc= -0.698 K(o=-1.2,f=-0.57) USER MOD Set 4.1: A 19 ASN : amide:sc= 0.937 X(o=-0.99,f=-0.55) USER MOD Set 4.2: A 22 GLN : amide:sc= -1.93 X(o=-0.99,f=-0.55!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -99:sc= 0.39 (180deg=-0.0126) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -4.22! C(o=-4.2!,f=-4.5!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc=-0.00495 X(o=-0.0049,f=-0.013) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.138) USER MOD Single : A 42 SER OG : rot 44:sc= 0.225 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -10.8! C(o=-11!,f=-12!) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot -81:sc= 1.02 USER MOD Single : A 73 TYR OH : rot -97:sc= 0.666 USER MOD Single : A 74 SER OG : rot 40:sc= 0.811 USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= -0.455 K(o=-0.46,f=-2.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 23.562 -25.598 11.338 1.00 0.00 N ATOM 2 CA MET A 1 22.729 -26.789 11.354 1.00 0.00 C ATOM 3 C MET A 1 21.361 -26.509 10.730 1.00 0.00 C ATOM 4 O MET A 1 20.951 -27.191 9.793 1.00 0.00 O ATOM 5 CB MET A 1 22.546 -27.264 12.797 1.00 0.00 C ATOM 6 CG MET A 1 23.866 -27.775 13.378 1.00 0.00 C ATOM 7 SD MET A 1 24.623 -26.506 14.379 1.00 0.00 S ATOM 8 CE MET A 1 26.163 -27.312 14.788 1.00 0.00 C ATOM 0 H1 MET A 1 24.219 -25.644 10.533 1.00 0.00 H new ATOM 0 H2 MET A 1 22.960 -24.755 11.246 1.00 0.00 H new ATOM 0 H3 MET A 1 24.104 -25.541 12.224 1.00 0.00 H new ATOM 0 HA MET A 1 23.223 -27.564 10.767 1.00 0.00 H new ATOM 0 HB2 MET A 1 22.169 -26.444 13.408 1.00 0.00 H new ATOM 0 HB3 MET A 1 21.799 -28.057 12.831 1.00 0.00 H new ATOM 0 HG2 MET A 1 23.687 -28.666 13.980 1.00 0.00 H new ATOM 0 HG3 MET A 1 24.540 -28.064 12.572 1.00 0.00 H new ATOM 0 HE1 MET A 1 26.763 -26.653 15.415 1.00 0.00 H new ATOM 0 HE2 MET A 1 25.958 -28.237 15.326 1.00 0.00 H new ATOM 0 HE3 MET A 1 26.709 -27.539 13.872 1.00 0.00 H new ATOM 18 N ARG A 2 20.692 -25.504 11.275 1.00 0.00 N ATOM 19 CA ARG A 2 19.378 -25.124 10.784 1.00 0.00 C ATOM 20 C ARG A 2 19.458 -23.799 10.024 1.00 0.00 C ATOM 21 O ARG A 2 20.143 -22.873 10.454 1.00 0.00 O ATOM 22 CB ARG A 2 18.379 -24.986 11.934 1.00 0.00 C ATOM 23 CG ARG A 2 16.959 -25.311 11.469 1.00 0.00 C ATOM 24 CD ARG A 2 16.559 -26.730 11.877 1.00 0.00 C ATOM 25 NE ARG A 2 15.172 -27.010 11.445 1.00 0.00 N ATOM 26 CZ ARG A 2 14.563 -28.194 11.594 1.00 0.00 C ATOM 27 NH1 ARG A 2 15.215 -29.216 12.165 1.00 0.00 N ATOM 28 NH2 ARG A 2 13.301 -28.357 11.172 1.00 0.00 N ATOM 0 H ARG A 2 21.036 -24.940 12.053 1.00 0.00 H new ATOM 0 HA ARG A 2 19.035 -25.911 10.113 1.00 0.00 H new ATOM 0 HB2 ARG A 2 18.661 -25.655 12.747 1.00 0.00 H new ATOM 0 HB3 ARG A 2 18.412 -23.971 12.330 1.00 0.00 H new ATOM 0 HG2 ARG A 2 16.259 -24.594 11.899 1.00 0.00 H new ATOM 0 HG3 ARG A 2 16.895 -25.209 10.386 1.00 0.00 H new ATOM 0 HD2 ARG A 2 17.241 -27.452 11.428 1.00 0.00 H new ATOM 0 HD3 ARG A 2 16.642 -26.843 12.958 1.00 0.00 H new ATOM 0 HE ARG A 2 14.646 -26.254 11.006 1.00 0.00 H new ATOM 0 HH11 ARG A 2 16.175 -29.093 12.486 1.00 0.00 H new ATOM 0 HH12 ARG A 2 14.751 -30.117 12.278 1.00 0.00 H new ATOM 0 HH21 ARG A 2 12.804 -27.579 10.737 1.00 0.00 H new ATOM 0 HH22 ARG A 2 12.838 -29.259 11.286 1.00 0.00 H new ATOM 42 N SER A 3 18.746 -23.751 8.907 1.00 0.00 N ATOM 43 CA SER A 3 18.728 -22.554 8.083 1.00 0.00 C ATOM 44 C SER A 3 17.970 -21.436 8.802 1.00 0.00 C ATOM 45 O SER A 3 16.907 -21.670 9.375 1.00 0.00 O ATOM 46 CB SER A 3 18.092 -22.834 6.719 1.00 0.00 C ATOM 47 OG SER A 3 16.736 -23.257 6.838 1.00 0.00 O ATOM 0 H SER A 3 18.178 -24.521 8.554 1.00 0.00 H new ATOM 0 HA SER A 3 19.758 -22.238 7.916 1.00 0.00 H new ATOM 0 HB2 SER A 3 18.138 -21.934 6.106 1.00 0.00 H new ATOM 0 HB3 SER A 3 18.667 -23.602 6.202 1.00 0.00 H new ATOM 0 HG SER A 3 16.366 -23.424 5.946 1.00 0.00 H new ATOM 53 N LEU A 4 18.547 -20.245 8.747 1.00 0.00 N ATOM 54 CA LEU A 4 17.939 -19.089 9.385 1.00 0.00 C ATOM 55 C LEU A 4 16.609 -18.774 8.699 1.00 0.00 C ATOM 56 O LEU A 4 16.317 -19.305 7.628 1.00 0.00 O ATOM 57 CB LEU A 4 18.916 -17.911 9.403 1.00 0.00 C ATOM 58 CG LEU A 4 19.874 -17.854 10.596 1.00 0.00 C ATOM 59 CD1 LEU A 4 20.990 -18.890 10.455 1.00 0.00 C ATOM 60 CD2 LEU A 4 20.426 -16.440 10.787 1.00 0.00 C ATOM 0 H LEU A 4 19.429 -20.055 8.271 1.00 0.00 H new ATOM 0 HA LEU A 4 17.716 -19.304 10.430 1.00 0.00 H new ATOM 0 HB2 LEU A 4 19.508 -17.941 8.488 1.00 0.00 H new ATOM 0 HB3 LEU A 4 18.340 -16.986 9.380 1.00 0.00 H new ATOM 0 HG LEU A 4 19.314 -18.107 11.496 1.00 0.00 H new ATOM 0 HD11 LEU A 4 21.656 -18.827 11.316 1.00 0.00 H new ATOM 0 HD12 LEU A 4 20.555 -19.888 10.404 1.00 0.00 H new ATOM 0 HD13 LEU A 4 21.556 -18.694 9.544 1.00 0.00 H new ATOM 0 HD21 LEU A 4 21.104 -16.426 11.641 1.00 0.00 H new ATOM 0 HD22 LEU A 4 20.966 -16.136 9.890 1.00 0.00 H new ATOM 0 HD23 LEU A 4 19.602 -15.749 10.967 1.00 0.00 H new ATOM 72 N GLU A 5 15.837 -17.910 9.343 1.00 0.00 N ATOM 73 CA GLU A 5 14.545 -17.517 8.808 1.00 0.00 C ATOM 74 C GLU A 5 14.679 -16.237 7.981 1.00 0.00 C ATOM 75 O GLU A 5 15.323 -15.281 8.411 1.00 0.00 O ATOM 76 CB GLU A 5 13.518 -17.341 9.928 1.00 0.00 C ATOM 77 CG GLU A 5 12.103 -17.214 9.360 1.00 0.00 C ATOM 78 CD GLU A 5 11.092 -17.956 10.237 1.00 0.00 C ATOM 79 OE1 GLU A 5 11.125 -19.205 10.209 1.00 0.00 O ATOM 80 OE2 GLU A 5 10.309 -17.256 10.915 1.00 0.00 O ATOM 0 H GLU A 5 16.082 -17.471 10.231 1.00 0.00 H new ATOM 0 HA GLU A 5 14.188 -18.313 8.154 1.00 0.00 H new ATOM 0 HB2 GLU A 5 13.566 -18.192 10.607 1.00 0.00 H new ATOM 0 HB3 GLU A 5 13.760 -16.453 10.512 1.00 0.00 H new ATOM 0 HG2 GLU A 5 11.828 -16.162 9.292 1.00 0.00 H new ATOM 0 HG3 GLU A 5 12.076 -17.617 8.347 1.00 0.00 H new ATOM 87 N THR A 6 14.061 -16.259 6.810 1.00 0.00 N ATOM 88 CA THR A 6 14.104 -15.112 5.919 1.00 0.00 C ATOM 89 C THR A 6 12.786 -14.338 5.983 1.00 0.00 C ATOM 90 O THR A 6 11.757 -14.888 6.373 1.00 0.00 O ATOM 91 CB THR A 6 14.444 -15.615 4.515 1.00 0.00 C ATOM 92 OG1 THR A 6 13.321 -16.413 4.151 1.00 0.00 O ATOM 93 CG2 THR A 6 15.616 -16.599 4.514 1.00 0.00 C ATOM 0 H THR A 6 13.527 -17.053 6.457 1.00 0.00 H new ATOM 0 HA THR A 6 14.876 -14.405 6.222 1.00 0.00 H new ATOM 0 HB THR A 6 14.681 -14.767 3.873 1.00 0.00 H new ATOM 0 HG1 THR A 6 13.457 -16.778 3.252 1.00 0.00 H new ATOM 0 HG21 THR A 6 15.816 -16.925 3.493 1.00 0.00 H new ATOM 0 HG22 THR A 6 16.502 -16.110 4.919 1.00 0.00 H new ATOM 0 HG23 THR A 6 15.366 -17.464 5.129 1.00 0.00 H new ATOM 101 N PHE A 7 12.860 -13.072 5.596 1.00 0.00 N ATOM 102 CA PHE A 7 11.685 -12.217 5.604 1.00 0.00 C ATOM 103 C PHE A 7 11.945 -10.922 4.832 1.00 0.00 C ATOM 104 O PHE A 7 13.007 -10.754 4.234 1.00 0.00 O ATOM 105 CB PHE A 7 11.394 -11.875 7.066 1.00 0.00 C ATOM 106 CG PHE A 7 10.453 -12.862 7.760 1.00 0.00 C ATOM 107 CD1 PHE A 7 9.187 -13.038 7.296 1.00 0.00 C ATOM 108 CD2 PHE A 7 10.885 -13.564 8.843 1.00 0.00 C ATOM 109 CE1 PHE A 7 8.315 -13.955 7.941 1.00 0.00 C ATOM 110 CE2 PHE A 7 10.012 -14.482 9.487 1.00 0.00 C ATOM 111 CZ PHE A 7 8.747 -14.658 9.023 1.00 0.00 C ATOM 0 H PHE A 7 13.715 -12.618 5.275 1.00 0.00 H new ATOM 0 HA PHE A 7 10.847 -12.729 5.130 1.00 0.00 H new ATOM 0 HB2 PHE A 7 12.335 -11.839 7.614 1.00 0.00 H new ATOM 0 HB3 PHE A 7 10.958 -10.877 7.115 1.00 0.00 H new ATOM 0 HD1 PHE A 7 8.844 -12.480 6.437 1.00 0.00 H new ATOM 0 HD2 PHE A 7 11.890 -13.424 9.213 1.00 0.00 H new ATOM 0 HE1 PHE A 7 7.309 -14.094 7.573 1.00 0.00 H new ATOM 0 HE2 PHE A 7 10.354 -15.040 10.346 1.00 0.00 H new ATOM 0 HZ PHE A 7 8.084 -15.356 9.513 1.00 0.00 H new ATOM 121 N VAL A 8 10.957 -10.040 4.870 1.00 0.00 N ATOM 122 CA VAL A 8 11.065 -8.766 4.180 1.00 0.00 C ATOM 123 C VAL A 8 10.535 -7.654 5.087 1.00 0.00 C ATOM 124 O VAL A 8 11.260 -6.716 5.415 1.00 0.00 O ATOM 125 CB VAL A 8 10.340 -8.836 2.834 1.00 0.00 C ATOM 126 CG1 VAL A 8 9.890 -7.445 2.380 1.00 0.00 C ATOM 127 CG2 VAL A 8 11.219 -9.501 1.773 1.00 0.00 C ATOM 0 H VAL A 8 10.078 -10.183 5.368 1.00 0.00 H new ATOM 0 HA VAL A 8 12.108 -8.538 3.960 1.00 0.00 H new ATOM 0 HB VAL A 8 9.449 -9.450 2.965 1.00 0.00 H new ATOM 0 HG11 VAL A 8 9.378 -7.523 1.421 1.00 0.00 H new ATOM 0 HG12 VAL A 8 9.211 -7.022 3.121 1.00 0.00 H new ATOM 0 HG13 VAL A 8 10.760 -6.797 2.274 1.00 0.00 H new ATOM 0 HG21 VAL A 8 10.681 -9.538 0.826 1.00 0.00 H new ATOM 0 HG22 VAL A 8 12.136 -8.925 1.647 1.00 0.00 H new ATOM 0 HG23 VAL A 8 11.468 -10.514 2.089 1.00 0.00 H new ATOM 137 N GLY A 9 9.274 -7.796 5.468 1.00 0.00 N ATOM 138 CA GLY A 9 8.637 -6.814 6.331 1.00 0.00 C ATOM 139 C GLY A 9 7.751 -5.866 5.521 1.00 0.00 C ATOM 140 O GLY A 9 8.112 -4.711 5.300 1.00 0.00 O ATOM 0 H GLY A 9 8.676 -8.576 5.195 1.00 0.00 H new ATOM 0 HA2 GLY A 9 8.037 -7.322 7.086 1.00 0.00 H new ATOM 0 HA3 GLY A 9 9.398 -6.242 6.861 1.00 0.00 H new ATOM 144 N ASP A 10 6.607 -6.387 5.104 1.00 0.00 N ATOM 145 CA ASP A 10 5.667 -5.601 4.325 1.00 0.00 C ATOM 146 C ASP A 10 5.304 -4.332 5.099 1.00 0.00 C ATOM 147 O ASP A 10 5.765 -4.133 6.221 1.00 0.00 O ATOM 148 CB ASP A 10 4.376 -6.382 4.067 1.00 0.00 C ATOM 149 CG ASP A 10 4.003 -7.392 5.155 1.00 0.00 C ATOM 150 OD1 ASP A 10 4.664 -8.452 5.196 1.00 0.00 O ATOM 151 OD2 ASP A 10 3.066 -7.080 5.921 1.00 0.00 O ATOM 0 H ASP A 10 6.310 -7.345 5.291 1.00 0.00 H new ATOM 0 HA ASP A 10 6.139 -5.359 3.373 1.00 0.00 H new ATOM 0 HB2 ASP A 10 3.556 -5.673 3.954 1.00 0.00 H new ATOM 0 HB3 ASP A 10 4.472 -6.911 3.119 1.00 0.00 H new ATOM 156 N GLN A 11 4.482 -3.507 4.468 1.00 0.00 N ATOM 157 CA GLN A 11 4.053 -2.263 5.084 1.00 0.00 C ATOM 158 C GLN A 11 2.714 -1.813 4.494 1.00 0.00 C ATOM 159 O GLN A 11 2.460 -2.004 3.306 1.00 0.00 O ATOM 160 CB GLN A 11 5.117 -1.175 4.921 1.00 0.00 C ATOM 161 CG GLN A 11 4.742 0.081 5.710 1.00 0.00 C ATOM 162 CD GLN A 11 4.609 1.292 4.784 1.00 0.00 C ATOM 163 OE1 GLN A 11 3.752 1.353 3.918 1.00 0.00 O ATOM 164 NE2 GLN A 11 5.504 2.249 5.014 1.00 0.00 N ATOM 0 H GLN A 11 4.102 -3.675 3.537 1.00 0.00 H new ATOM 0 HA GLN A 11 3.918 -2.436 6.152 1.00 0.00 H new ATOM 0 HB2 GLN A 11 6.081 -1.550 5.264 1.00 0.00 H new ATOM 0 HB3 GLN A 11 5.229 -0.926 3.866 1.00 0.00 H new ATOM 0 HG2 GLN A 11 3.802 -0.083 6.237 1.00 0.00 H new ATOM 0 HG3 GLN A 11 5.501 0.279 6.467 1.00 0.00 H new ATOM 0 HE21 GLN A 11 6.195 2.134 5.756 1.00 0.00 H new ATOM 0 HE22 GLN A 11 5.499 3.098 4.449 1.00 0.00 H new ATOM 173 N VAL A 12 1.894 -1.225 5.352 1.00 0.00 N ATOM 174 CA VAL A 12 0.589 -0.746 4.932 1.00 0.00 C ATOM 175 C VAL A 12 0.658 0.762 4.685 1.00 0.00 C ATOM 176 O VAL A 12 1.637 1.411 5.051 1.00 0.00 O ATOM 177 CB VAL A 12 -0.469 -1.134 5.968 1.00 0.00 C ATOM 178 CG1 VAL A 12 -1.829 -1.360 5.304 1.00 0.00 C ATOM 179 CG2 VAL A 12 -0.034 -2.367 6.761 1.00 0.00 C ATOM 0 H VAL A 12 2.109 -1.069 6.337 1.00 0.00 H new ATOM 0 HA VAL A 12 0.294 -1.216 3.993 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.572 -0.305 6.669 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.563 -1.634 6.062 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.147 -0.444 4.806 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -1.747 -2.162 4.571 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.804 -2.621 7.490 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.111 -3.205 6.080 1.00 0.00 H new ATOM 0 HG23 VAL A 12 0.901 -2.155 7.280 1.00 0.00 H new ATOM 189 N LEU A 13 -0.393 1.277 4.065 1.00 0.00 N ATOM 190 CA LEU A 13 -0.464 2.698 3.764 1.00 0.00 C ATOM 191 C LEU A 13 -1.927 3.100 3.565 1.00 0.00 C ATOM 192 O LEU A 13 -2.721 2.325 3.035 1.00 0.00 O ATOM 193 CB LEU A 13 0.435 3.038 2.574 1.00 0.00 C ATOM 194 CG LEU A 13 -0.220 2.955 1.193 1.00 0.00 C ATOM 195 CD1 LEU A 13 -0.613 4.345 0.688 1.00 0.00 C ATOM 196 CD2 LEU A 13 0.683 2.218 0.202 1.00 0.00 C ATOM 0 H LEU A 13 -1.203 0.736 3.762 1.00 0.00 H new ATOM 0 HA LEU A 13 -0.083 3.285 4.600 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.820 4.049 2.712 1.00 0.00 H new ATOM 0 HB3 LEU A 13 1.293 2.366 2.588 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.138 2.375 1.284 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.076 4.258 -0.295 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.320 4.798 1.383 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.277 4.971 0.616 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.194 2.173 -0.771 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.630 2.749 0.108 1.00 0.00 H new ATOM 0 HD23 LEU A 13 0.869 1.206 0.562 1.00 0.00 H new ATOM 208 N GLU A 14 -2.238 4.312 4.002 1.00 0.00 N ATOM 209 CA GLU A 14 -3.591 4.827 3.879 1.00 0.00 C ATOM 210 C GLU A 14 -3.708 5.720 2.642 1.00 0.00 C ATOM 211 O GLU A 14 -2.910 6.636 2.456 1.00 0.00 O ATOM 212 CB GLU A 14 -4.007 5.582 5.143 1.00 0.00 C ATOM 213 CG GLU A 14 -2.905 6.542 5.595 1.00 0.00 C ATOM 214 CD GLU A 14 -2.135 5.972 6.787 1.00 0.00 C ATOM 215 OE1 GLU A 14 -2.569 6.246 7.927 1.00 0.00 O ATOM 216 OE2 GLU A 14 -1.130 5.275 6.533 1.00 0.00 O ATOM 0 H GLU A 14 -1.576 4.952 4.442 1.00 0.00 H new ATOM 0 HA GLU A 14 -4.271 3.984 3.760 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -4.924 6.139 4.953 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.225 4.871 5.940 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -2.218 6.727 4.769 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -3.343 7.502 5.867 1.00 0.00 H new ATOM 223 N ILE A 15 -4.710 5.421 1.830 1.00 0.00 N ATOM 224 CA ILE A 15 -4.943 6.185 0.616 1.00 0.00 C ATOM 225 C ILE A 15 -6.310 6.869 0.702 1.00 0.00 C ATOM 226 O ILE A 15 -7.252 6.312 1.263 1.00 0.00 O ATOM 227 CB ILE A 15 -4.778 5.296 -0.618 1.00 0.00 C ATOM 228 CG1 ILE A 15 -3.419 4.593 -0.609 1.00 0.00 C ATOM 229 CG2 ILE A 15 -5.003 6.094 -1.903 1.00 0.00 C ATOM 230 CD1 ILE A 15 -3.516 3.202 -1.238 1.00 0.00 C ATOM 0 H ILE A 15 -5.370 4.660 1.988 1.00 0.00 H new ATOM 0 HA ILE A 15 -4.197 6.973 0.515 1.00 0.00 H new ATOM 0 HB ILE A 15 -5.542 4.519 -0.585 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -2.692 5.193 -1.156 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.056 4.508 0.415 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -4.880 5.438 -2.765 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -6.012 6.507 -1.903 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -4.278 6.906 -1.959 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.536 2.725 -1.219 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -4.226 2.596 -0.674 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.855 3.292 -2.270 1.00 0.00 H new ATOM 242 N VAL A 16 -6.373 8.067 0.139 1.00 0.00 N ATOM 243 CA VAL A 16 -7.608 8.832 0.146 1.00 0.00 C ATOM 244 C VAL A 16 -7.974 9.214 -1.290 1.00 0.00 C ATOM 245 O VAL A 16 -7.540 10.251 -1.790 1.00 0.00 O ATOM 246 CB VAL A 16 -7.468 10.044 1.070 1.00 0.00 C ATOM 247 CG1 VAL A 16 -8.794 10.798 1.189 1.00 0.00 C ATOM 248 CG2 VAL A 16 -6.950 9.626 2.447 1.00 0.00 C ATOM 0 H VAL A 16 -5.589 8.526 -0.325 1.00 0.00 H new ATOM 0 HA VAL A 16 -8.427 8.232 0.542 1.00 0.00 H new ATOM 0 HB VAL A 16 -6.736 10.720 0.628 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -8.667 11.655 1.851 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -9.106 11.144 0.203 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -9.555 10.133 1.597 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -6.860 10.506 3.084 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -7.647 8.921 2.899 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -5.974 9.153 2.340 1.00 0.00 H new ATOM 258 N PRO A 17 -8.790 8.334 -1.929 1.00 0.00 N ATOM 259 CA PRO A 17 -9.219 8.568 -3.296 1.00 0.00 C ATOM 260 C PRO A 17 -10.292 9.658 -3.356 1.00 0.00 C ATOM 261 O PRO A 17 -10.622 10.264 -2.337 1.00 0.00 O ATOM 262 CB PRO A 17 -9.716 7.219 -3.790 1.00 0.00 C ATOM 263 CG PRO A 17 -9.980 6.390 -2.543 1.00 0.00 C ATOM 264 CD PRO A 17 -9.324 7.096 -1.367 1.00 0.00 C ATOM 0 HA PRO A 17 -8.414 8.938 -3.931 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -10.623 7.331 -4.384 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -8.974 6.739 -4.428 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -11.052 6.284 -2.375 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -9.574 5.385 -2.660 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -10.045 7.299 -0.575 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -8.533 6.486 -0.930 1.00 0.00 H new ATOM 272 N SER A 18 -10.805 9.874 -4.558 1.00 0.00 N ATOM 273 CA SER A 18 -11.834 10.879 -4.763 1.00 0.00 C ATOM 274 C SER A 18 -12.476 10.698 -6.140 1.00 0.00 C ATOM 275 O SER A 18 -13.693 10.811 -6.281 1.00 0.00 O ATOM 276 CB SER A 18 -11.258 12.291 -4.628 1.00 0.00 C ATOM 277 OG SER A 18 -12.259 13.293 -4.786 1.00 0.00 O ATOM 0 H SER A 18 -10.527 9.370 -5.400 1.00 0.00 H new ATOM 0 HA SER A 18 -12.596 10.750 -3.994 1.00 0.00 H new ATOM 0 HB2 SER A 18 -10.788 12.399 -3.650 1.00 0.00 H new ATOM 0 HB3 SER A 18 -10.478 12.437 -5.375 1.00 0.00 H new ATOM 0 HG SER A 18 -11.852 14.180 -4.692 1.00 0.00 H new ATOM 283 N ASN A 19 -11.630 10.419 -7.121 1.00 0.00 N ATOM 284 CA ASN A 19 -12.100 10.221 -8.481 1.00 0.00 C ATOM 285 C ASN A 19 -12.081 8.728 -8.810 1.00 0.00 C ATOM 286 O ASN A 19 -11.537 7.928 -8.050 1.00 0.00 O ATOM 287 CB ASN A 19 -11.195 10.938 -9.486 1.00 0.00 C ATOM 288 CG ASN A 19 -11.185 12.448 -9.236 1.00 0.00 C ATOM 289 OD1 ASN A 19 -12.197 13.059 -8.934 1.00 0.00 O ATOM 290 ND2 ASN A 19 -9.990 13.012 -9.379 1.00 0.00 N ATOM 0 H ASN A 19 -10.621 10.325 -7.001 1.00 0.00 H new ATOM 0 HA ASN A 19 -13.110 10.626 -8.551 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -10.180 10.547 -9.411 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -11.540 10.736 -10.500 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -9.879 14.016 -9.234 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -9.184 12.441 -9.634 1.00 0.00 H new ATOM 297 N GLU A 20 -12.682 8.397 -9.944 1.00 0.00 N ATOM 298 CA GLU A 20 -12.741 7.013 -10.382 1.00 0.00 C ATOM 299 C GLU A 20 -11.374 6.559 -10.897 1.00 0.00 C ATOM 300 O GLU A 20 -10.940 5.443 -10.617 1.00 0.00 O ATOM 301 CB GLU A 20 -13.819 6.822 -11.451 1.00 0.00 C ATOM 302 CG GLU A 20 -15.203 6.674 -10.813 1.00 0.00 C ATOM 303 CD GLU A 20 -16.107 7.852 -11.184 1.00 0.00 C ATOM 304 OE1 GLU A 20 -16.755 7.756 -12.248 1.00 0.00 O ATOM 305 OE2 GLU A 20 -16.128 8.821 -10.395 1.00 0.00 O ATOM 0 H GLU A 20 -13.132 9.063 -10.572 1.00 0.00 H new ATOM 0 HA GLU A 20 -13.009 6.394 -9.526 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -13.817 7.674 -12.131 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -13.593 5.938 -12.047 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -15.661 5.741 -11.142 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -15.103 6.615 -9.729 1.00 0.00 H new ATOM 312 N GLU A 21 -10.732 7.450 -11.640 1.00 0.00 N ATOM 313 CA GLU A 21 -9.423 7.155 -12.197 1.00 0.00 C ATOM 314 C GLU A 21 -8.452 6.751 -11.085 1.00 0.00 C ATOM 315 O GLU A 21 -7.719 5.773 -11.221 1.00 0.00 O ATOM 316 CB GLU A 21 -8.883 8.347 -12.989 1.00 0.00 C ATOM 317 CG GLU A 21 -7.365 8.253 -13.155 1.00 0.00 C ATOM 318 CD GLU A 21 -6.649 9.213 -12.203 1.00 0.00 C ATOM 319 OE1 GLU A 21 -7.143 9.356 -11.063 1.00 0.00 O ATOM 320 OE2 GLU A 21 -5.624 9.782 -12.636 1.00 0.00 O ATOM 0 H GLU A 21 -11.094 8.376 -11.869 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.524 6.318 -12.887 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.358 8.382 -13.969 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -9.140 9.275 -12.477 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -7.037 7.232 -12.962 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -7.093 8.486 -14.185 1.00 0.00 H new ATOM 327 N GLN A 22 -8.480 7.525 -10.010 1.00 0.00 N ATOM 328 CA GLN A 22 -7.612 7.260 -8.875 1.00 0.00 C ATOM 329 C GLN A 22 -7.905 5.875 -8.294 1.00 0.00 C ATOM 330 O GLN A 22 -6.984 5.123 -7.978 1.00 0.00 O ATOM 331 CB GLN A 22 -7.759 8.345 -7.806 1.00 0.00 C ATOM 332 CG GLN A 22 -6.798 9.507 -8.068 1.00 0.00 C ATOM 333 CD GLN A 22 -7.564 10.784 -8.416 1.00 0.00 C ATOM 334 OE1 GLN A 22 -8.021 10.982 -9.529 1.00 0.00 O ATOM 335 NE2 GLN A 22 -7.679 11.639 -7.402 1.00 0.00 N ATOM 0 H GLN A 22 -9.090 8.335 -9.901 1.00 0.00 H new ATOM 0 HA GLN A 22 -6.579 7.276 -9.222 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -8.785 8.713 -7.795 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -7.562 7.920 -6.822 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -6.180 9.678 -7.187 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -6.124 9.249 -8.885 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -7.273 11.412 -6.495 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -8.174 12.521 -7.533 1.00 0.00 H new ATOM 344 N ILE A 23 -9.191 5.580 -8.172 1.00 0.00 N ATOM 345 CA ILE A 23 -9.616 4.298 -7.635 1.00 0.00 C ATOM 346 C ILE A 23 -9.297 3.195 -8.645 1.00 0.00 C ATOM 347 O ILE A 23 -8.864 2.108 -8.266 1.00 0.00 O ATOM 348 CB ILE A 23 -11.090 4.352 -7.228 1.00 0.00 C ATOM 349 CG1 ILE A 23 -11.257 5.014 -5.858 1.00 0.00 C ATOM 350 CG2 ILE A 23 -11.721 2.958 -7.272 1.00 0.00 C ATOM 351 CD1 ILE A 23 -12.737 5.200 -5.517 1.00 0.00 C ATOM 0 H ILE A 23 -9.952 6.206 -8.435 1.00 0.00 H new ATOM 0 HA ILE A 23 -9.065 4.064 -6.724 1.00 0.00 H new ATOM 0 HB ILE A 23 -11.622 4.970 -7.951 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -10.778 4.402 -5.094 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -10.755 5.981 -5.854 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -12.769 3.023 -6.979 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -11.652 2.559 -8.284 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -11.192 2.297 -6.585 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -12.828 5.672 -4.539 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -13.207 5.832 -6.270 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -13.231 4.229 -5.498 1.00 0.00 H new ATOM 363 N LYS A 24 -9.522 3.513 -9.911 1.00 0.00 N ATOM 364 CA LYS A 24 -9.264 2.563 -10.979 1.00 0.00 C ATOM 365 C LYS A 24 -7.760 2.290 -11.061 1.00 0.00 C ATOM 366 O LYS A 24 -7.332 1.341 -11.717 1.00 0.00 O ATOM 367 CB LYS A 24 -9.872 3.056 -12.294 1.00 0.00 C ATOM 368 CG LYS A 24 -9.117 2.482 -13.496 1.00 0.00 C ATOM 369 CD LYS A 24 -9.702 3.003 -14.810 1.00 0.00 C ATOM 370 CE LYS A 24 -10.519 1.917 -15.514 1.00 0.00 C ATOM 371 NZ LYS A 24 -10.415 2.061 -16.984 1.00 0.00 N ATOM 0 H LYS A 24 -9.880 4.416 -10.221 1.00 0.00 H new ATOM 0 HA LYS A 24 -9.750 1.611 -10.767 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -10.921 2.764 -12.346 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -9.842 4.145 -12.327 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -8.063 2.752 -13.431 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -9.169 1.393 -13.477 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -10.334 3.869 -14.613 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -8.897 3.338 -15.463 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -10.162 0.932 -15.213 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -11.563 1.984 -15.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -10.975 1.316 -17.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -10.777 2.994 -17.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -9.419 1.974 -17.272 1.00 0.00 H new ATOM 385 N ASN A 25 -6.999 3.138 -10.385 1.00 0.00 N ATOM 386 CA ASN A 25 -5.553 3.000 -10.372 1.00 0.00 C ATOM 387 C ASN A 25 -5.168 1.792 -9.516 1.00 0.00 C ATOM 388 O ASN A 25 -4.365 0.961 -9.936 1.00 0.00 O ATOM 389 CB ASN A 25 -4.887 4.239 -9.768 1.00 0.00 C ATOM 390 CG ASN A 25 -3.503 4.468 -10.377 1.00 0.00 C ATOM 391 OD1 ASN A 25 -2.481 4.351 -9.722 1.00 0.00 O ATOM 392 ND2 ASN A 25 -3.527 4.801 -11.665 1.00 0.00 N ATOM 0 H ASN A 25 -7.357 3.924 -9.842 1.00 0.00 H new ATOM 0 HA ASN A 25 -5.217 2.875 -11.401 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -5.514 5.114 -9.941 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -4.798 4.119 -8.688 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -2.654 4.975 -12.163 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -4.418 4.882 -12.154 1.00 0.00 H new ATOM 399 N LEU A 26 -5.758 1.733 -8.332 1.00 0.00 N ATOM 400 CA LEU A 26 -5.487 0.640 -7.414 1.00 0.00 C ATOM 401 C LEU A 26 -5.937 -0.677 -8.049 1.00 0.00 C ATOM 402 O LEU A 26 -5.218 -1.673 -7.996 1.00 0.00 O ATOM 403 CB LEU A 26 -6.125 0.915 -6.051 1.00 0.00 C ATOM 404 CG LEU A 26 -5.248 1.650 -5.036 1.00 0.00 C ATOM 405 CD1 LEU A 26 -5.919 1.694 -3.662 1.00 0.00 C ATOM 406 CD2 LEU A 26 -3.849 1.033 -4.971 1.00 0.00 C ATOM 0 H LEU A 26 -6.423 2.425 -7.987 1.00 0.00 H new ATOM 0 HA LEU A 26 -4.416 0.555 -7.228 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.032 1.499 -6.208 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -6.430 -0.037 -5.616 1.00 0.00 H new ATOM 0 HG LEU A 26 -5.130 2.681 -5.370 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -5.275 2.222 -2.959 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -6.874 2.214 -3.740 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -6.087 0.677 -3.307 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.246 1.574 -4.242 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.926 -0.013 -4.673 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.377 1.097 -5.951 1.00 0.00 H new ATOM 418 N LEU A 27 -7.125 -0.640 -8.636 1.00 0.00 N ATOM 419 CA LEU A 27 -7.679 -1.818 -9.280 1.00 0.00 C ATOM 420 C LEU A 27 -6.653 -2.386 -10.263 1.00 0.00 C ATOM 421 O LEU A 27 -6.310 -3.565 -10.195 1.00 0.00 O ATOM 422 CB LEU A 27 -9.030 -1.494 -9.920 1.00 0.00 C ATOM 423 CG LEU A 27 -10.251 -1.610 -9.004 1.00 0.00 C ATOM 424 CD1 LEU A 27 -11.013 -0.284 -8.937 1.00 0.00 C ATOM 425 CD2 LEU A 27 -11.152 -2.768 -9.438 1.00 0.00 C ATOM 0 H LEU A 27 -7.719 0.188 -8.679 1.00 0.00 H new ATOM 0 HA LEU A 27 -7.880 -2.596 -8.543 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -8.990 -0.478 -10.312 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -9.175 -2.159 -10.772 1.00 0.00 H new ATOM 0 HG LEU A 27 -9.903 -1.833 -7.995 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -11.876 -0.393 -8.280 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -10.356 0.494 -8.547 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -11.350 -0.007 -9.936 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -12.012 -2.829 -8.771 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -11.495 -2.599 -10.459 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -10.591 -3.702 -9.393 1.00 0.00 H new ATOM 437 N GLN A 28 -6.193 -1.520 -11.154 1.00 0.00 N ATOM 438 CA GLN A 28 -5.213 -1.921 -12.150 1.00 0.00 C ATOM 439 C GLN A 28 -3.962 -2.480 -11.469 1.00 0.00 C ATOM 440 O GLN A 28 -3.353 -3.428 -11.964 1.00 0.00 O ATOM 441 CB GLN A 28 -4.860 -0.753 -13.072 1.00 0.00 C ATOM 442 CG GLN A 28 -4.524 -1.248 -14.481 1.00 0.00 C ATOM 443 CD GLN A 28 -3.099 -0.854 -14.875 1.00 0.00 C ATOM 444 OE1 GLN A 28 -2.735 0.310 -14.906 1.00 0.00 O ATOM 445 NE2 GLN A 28 -2.316 -1.887 -15.172 1.00 0.00 N ATOM 0 H GLN A 28 -6.480 -0.543 -11.207 1.00 0.00 H new ATOM 0 HA GLN A 28 -5.650 -2.708 -12.765 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -5.696 -0.056 -13.118 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -4.011 -0.206 -12.663 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -4.631 -2.332 -14.525 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -5.232 -0.829 -15.196 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -2.685 -2.837 -15.126 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -1.346 -1.730 -15.446 1.00 0.00 H new ATOM 454 N LEU A 29 -3.616 -1.870 -10.345 1.00 0.00 N ATOM 455 CA LEU A 29 -2.449 -2.295 -9.592 1.00 0.00 C ATOM 456 C LEU A 29 -2.720 -3.668 -8.972 1.00 0.00 C ATOM 457 O LEU A 29 -2.065 -4.649 -9.320 1.00 0.00 O ATOM 458 CB LEU A 29 -2.052 -1.227 -8.571 1.00 0.00 C ATOM 459 CG LEU A 29 -1.094 -1.677 -7.467 1.00 0.00 C ATOM 460 CD1 LEU A 29 0.269 -2.060 -8.047 1.00 0.00 C ATOM 461 CD2 LEU A 29 -0.972 -0.610 -6.376 1.00 0.00 C ATOM 0 H LEU A 29 -4.124 -1.085 -9.938 1.00 0.00 H new ATOM 0 HA LEU A 29 -1.589 -2.407 -10.253 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.594 -0.395 -9.105 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.959 -0.845 -8.104 1.00 0.00 H new ATOM 0 HG LEU A 29 -1.509 -2.570 -6.999 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.931 -2.376 -7.241 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.145 -2.878 -8.757 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.702 -1.199 -8.556 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.285 -0.956 -5.604 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -0.592 0.314 -6.812 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.952 -0.427 -5.934 1.00 0.00 H new ATOM 473 N GLU A 30 -3.685 -3.692 -8.065 1.00 0.00 N ATOM 474 CA GLU A 30 -4.050 -4.928 -7.393 1.00 0.00 C ATOM 475 C GLU A 30 -4.256 -6.047 -8.417 1.00 0.00 C ATOM 476 O GLU A 30 -4.019 -7.217 -8.119 1.00 0.00 O ATOM 477 CB GLU A 30 -5.300 -4.736 -6.532 1.00 0.00 C ATOM 478 CG GLU A 30 -5.281 -5.672 -5.323 1.00 0.00 C ATOM 479 CD GLU A 30 -6.702 -6.071 -4.917 1.00 0.00 C ATOM 480 OE1 GLU A 30 -7.451 -6.499 -5.821 1.00 0.00 O ATOM 481 OE2 GLU A 30 -7.006 -5.940 -3.711 1.00 0.00 O ATOM 0 H GLU A 30 -4.226 -2.876 -7.779 1.00 0.00 H new ATOM 0 HA GLU A 30 -3.233 -5.214 -6.730 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.358 -3.701 -6.195 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -6.191 -4.927 -7.130 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -4.702 -6.565 -5.559 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -4.784 -5.181 -4.486 1.00 0.00 H new ATOM 488 N ALA A 31 -4.695 -5.648 -9.602 1.00 0.00 N ATOM 489 CA ALA A 31 -4.936 -6.602 -10.670 1.00 0.00 C ATOM 490 C ALA A 31 -3.642 -7.361 -10.972 1.00 0.00 C ATOM 491 O ALA A 31 -3.652 -8.584 -11.107 1.00 0.00 O ATOM 492 CB ALA A 31 -5.481 -5.869 -11.897 1.00 0.00 C ATOM 0 H ALA A 31 -4.890 -4.677 -9.845 1.00 0.00 H new ATOM 0 HA ALA A 31 -5.685 -7.334 -10.368 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -5.662 -6.585 -12.698 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -6.415 -5.371 -11.638 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.755 -5.128 -12.230 1.00 0.00 H new ATOM 498 N GLN A 32 -2.558 -6.605 -11.068 1.00 0.00 N ATOM 499 CA GLN A 32 -1.259 -7.190 -11.350 1.00 0.00 C ATOM 500 C GLN A 32 -0.973 -8.340 -10.382 1.00 0.00 C ATOM 501 O GLN A 32 -0.615 -8.109 -9.227 1.00 0.00 O ATOM 502 CB GLN A 32 -0.156 -6.133 -11.287 1.00 0.00 C ATOM 503 CG GLN A 32 0.008 -5.430 -12.637 1.00 0.00 C ATOM 504 CD GLN A 32 0.592 -6.383 -13.683 1.00 0.00 C ATOM 505 OE1 GLN A 32 1.493 -7.161 -13.417 1.00 0.00 O ATOM 506 NE2 GLN A 32 0.030 -6.277 -14.885 1.00 0.00 N ATOM 0 H GLN A 32 -2.553 -5.591 -10.955 1.00 0.00 H new ATOM 0 HA GLN A 32 -1.275 -7.590 -12.364 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -0.394 -5.399 -10.517 1.00 0.00 H new ATOM 0 HB3 GLN A 32 0.785 -6.601 -11.000 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -0.958 -5.058 -12.978 1.00 0.00 H new ATOM 0 HG3 GLN A 32 0.661 -4.564 -12.524 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -0.721 -5.604 -15.039 1.00 0.00 H new ATOM 0 HE22 GLN A 32 0.350 -6.869 -15.652 1.00 0.00 H new ATOM 515 N GLU A 33 -1.141 -9.553 -10.887 1.00 0.00 N ATOM 516 CA GLU A 33 -0.905 -10.738 -10.080 1.00 0.00 C ATOM 517 C GLU A 33 0.299 -10.524 -9.161 1.00 0.00 C ATOM 518 O GLU A 33 0.168 -10.577 -7.939 1.00 0.00 O ATOM 519 CB GLU A 33 -0.706 -11.972 -10.964 1.00 0.00 C ATOM 520 CG GLU A 33 -0.971 -13.257 -10.178 1.00 0.00 C ATOM 521 CD GLU A 33 -0.094 -14.402 -10.689 1.00 0.00 C ATOM 522 OE1 GLU A 33 -0.400 -14.904 -11.792 1.00 0.00 O ATOM 523 OE2 GLU A 33 0.865 -14.750 -9.964 1.00 0.00 O ATOM 0 H GLU A 33 -1.438 -9.741 -11.845 1.00 0.00 H new ATOM 0 HA GLU A 33 -1.784 -10.912 -9.460 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -1.376 -11.921 -11.822 1.00 0.00 H new ATOM 0 HB3 GLU A 33 0.311 -11.984 -11.355 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -0.774 -13.087 -9.119 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.022 -13.532 -10.266 1.00 0.00 H new ATOM 530 N HIS A 34 1.444 -10.287 -9.784 1.00 0.00 N ATOM 531 CA HIS A 34 2.670 -10.064 -9.036 1.00 0.00 C ATOM 532 C HIS A 34 2.379 -9.178 -7.823 1.00 0.00 C ATOM 533 O HIS A 34 2.873 -9.438 -6.727 1.00 0.00 O ATOM 534 CB HIS A 34 3.761 -9.488 -9.942 1.00 0.00 C ATOM 535 CG HIS A 34 3.775 -10.071 -11.334 1.00 0.00 C ATOM 536 ND1 HIS A 34 4.154 -11.375 -11.597 1.00 0.00 N ATOM 537 CD2 HIS A 34 3.452 -9.513 -12.537 1.00 0.00 C ATOM 538 CE1 HIS A 34 4.060 -11.583 -12.903 1.00 0.00 C ATOM 539 NE2 HIS A 34 3.625 -10.427 -13.484 1.00 0.00 N ATOM 0 H HIS A 34 1.549 -10.245 -10.798 1.00 0.00 H new ATOM 0 HA HIS A 34 3.051 -11.015 -8.664 1.00 0.00 H new ATOM 0 HB2 HIS A 34 3.628 -8.409 -10.013 1.00 0.00 H new ATOM 0 HB3 HIS A 34 4.732 -9.659 -9.478 1.00 0.00 H new ATOM 0 HD2 HIS A 34 3.113 -8.499 -12.692 1.00 0.00 H new ATOM 0 HE1 HIS A 34 4.288 -12.505 -13.417 1.00 0.00 H new ATOM 0 HE2 HIS A 34 3.460 -10.288 -14.481 1.00 0.00 H new ATOM 548 N LEU A 35 1.575 -8.152 -8.059 1.00 0.00 N ATOM 549 CA LEU A 35 1.211 -7.227 -7.000 1.00 0.00 C ATOM 550 C LEU A 35 -0.180 -7.585 -6.472 1.00 0.00 C ATOM 551 O LEU A 35 -1.035 -6.713 -6.327 1.00 0.00 O ATOM 552 CB LEU A 35 1.332 -5.781 -7.485 1.00 0.00 C ATOM 553 CG LEU A 35 2.715 -5.140 -7.347 1.00 0.00 C ATOM 554 CD1 LEU A 35 2.751 -3.765 -8.017 1.00 0.00 C ATOM 555 CD2 LEU A 35 3.143 -5.075 -5.880 1.00 0.00 C ATOM 0 H LEU A 35 1.165 -7.941 -8.969 1.00 0.00 H new ATOM 0 HA LEU A 35 1.903 -7.316 -6.163 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.040 -5.745 -8.535 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.615 -5.173 -6.934 1.00 0.00 H new ATOM 0 HG LEU A 35 3.438 -5.769 -7.866 1.00 0.00 H new ATOM 0 HD11 LEU A 35 3.745 -3.331 -7.904 1.00 0.00 H new ATOM 0 HD12 LEU A 35 2.519 -3.870 -9.077 1.00 0.00 H new ATOM 0 HD13 LEU A 35 2.015 -3.112 -7.548 1.00 0.00 H new ATOM 0 HD21 LEU A 35 4.129 -4.616 -5.809 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.424 -4.480 -5.317 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.182 -6.083 -5.467 1.00 0.00 H new ATOM 567 N GLN A 36 -0.362 -8.869 -6.200 1.00 0.00 N ATOM 568 CA GLN A 36 -1.634 -9.352 -5.691 1.00 0.00 C ATOM 569 C GLN A 36 -1.881 -8.814 -4.280 1.00 0.00 C ATOM 570 O GLN A 36 -1.939 -9.582 -3.321 1.00 0.00 O ATOM 571 CB GLN A 36 -1.689 -10.881 -5.713 1.00 0.00 C ATOM 572 CG GLN A 36 -2.269 -11.391 -7.034 1.00 0.00 C ATOM 573 CD GLN A 36 -3.479 -12.294 -6.788 1.00 0.00 C ATOM 574 OE1 GLN A 36 -4.619 -11.925 -7.016 1.00 0.00 O ATOM 575 NE2 GLN A 36 -3.168 -13.496 -6.312 1.00 0.00 N ATOM 0 H GLN A 36 0.350 -9.589 -6.323 1.00 0.00 H new ATOM 0 HA GLN A 36 -2.427 -8.984 -6.342 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -0.687 -11.286 -5.571 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -2.298 -11.238 -4.883 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -2.562 -10.546 -7.657 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -1.505 -11.942 -7.582 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -2.192 -13.741 -6.143 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -3.905 -14.173 -6.115 1.00 0.00 H new ATOM 584 N LEU A 37 -2.021 -7.500 -4.199 1.00 0.00 N ATOM 585 CA LEU A 37 -2.260 -6.850 -2.922 1.00 0.00 C ATOM 586 C LEU A 37 -3.737 -6.994 -2.549 1.00 0.00 C ATOM 587 O LEU A 37 -4.564 -7.332 -3.395 1.00 0.00 O ATOM 588 CB LEU A 37 -1.774 -5.400 -2.958 1.00 0.00 C ATOM 589 CG LEU A 37 -0.552 -5.124 -3.837 1.00 0.00 C ATOM 590 CD1 LEU A 37 -0.908 -4.181 -4.989 1.00 0.00 C ATOM 591 CD2 LEU A 37 0.615 -4.594 -3.001 1.00 0.00 C ATOM 0 H LEU A 37 -1.974 -6.867 -4.997 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.683 -7.335 -2.135 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -2.595 -4.771 -3.303 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.541 -5.090 -1.939 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.229 -6.066 -4.280 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.023 -4.001 -5.599 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.686 -4.635 -5.604 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.270 -3.235 -4.586 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.471 -4.406 -3.649 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.320 -3.666 -2.511 1.00 0.00 H new ATOM 0 HD23 LEU A 37 0.887 -5.332 -2.246 1.00 0.00 H new ATOM 603 N ASP A 38 -4.024 -6.733 -1.283 1.00 0.00 N ATOM 604 CA ASP A 38 -5.387 -6.829 -0.788 1.00 0.00 C ATOM 605 C ASP A 38 -5.715 -5.583 0.036 1.00 0.00 C ATOM 606 O ASP A 38 -5.203 -5.414 1.142 1.00 0.00 O ATOM 607 CB ASP A 38 -5.560 -8.052 0.113 1.00 0.00 C ATOM 608 CG ASP A 38 -6.960 -8.667 0.107 1.00 0.00 C ATOM 609 OD1 ASP A 38 -7.320 -9.250 -0.939 1.00 0.00 O ATOM 610 OD2 ASP A 38 -7.641 -8.542 1.148 1.00 0.00 O ATOM 0 H ASP A 38 -3.335 -6.455 -0.584 1.00 0.00 H new ATOM 0 HA ASP A 38 -6.052 -6.917 -1.647 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -4.844 -8.814 -0.193 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -5.308 -7.770 1.135 1.00 0.00 H new ATOM 615 N PHE A 39 -6.566 -4.743 -0.532 1.00 0.00 N ATOM 616 CA PHE A 39 -6.969 -3.518 0.137 1.00 0.00 C ATOM 617 C PHE A 39 -7.899 -3.816 1.314 1.00 0.00 C ATOM 618 O PHE A 39 -8.954 -4.425 1.138 1.00 0.00 O ATOM 619 CB PHE A 39 -7.723 -2.673 -0.892 1.00 0.00 C ATOM 620 CG PHE A 39 -6.951 -2.443 -2.194 1.00 0.00 C ATOM 621 CD1 PHE A 39 -5.770 -1.772 -2.174 1.00 0.00 C ATOM 622 CD2 PHE A 39 -7.449 -2.910 -3.370 1.00 0.00 C ATOM 623 CE1 PHE A 39 -5.054 -1.559 -3.382 1.00 0.00 C ATOM 624 CE2 PHE A 39 -6.734 -2.698 -4.578 1.00 0.00 C ATOM 625 CZ PHE A 39 -5.551 -2.027 -4.559 1.00 0.00 C ATOM 0 H PHE A 39 -6.988 -4.886 -1.449 1.00 0.00 H new ATOM 0 HA PHE A 39 -6.091 -3.000 0.524 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -8.670 -3.161 -1.124 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -7.963 -1.707 -0.448 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -5.376 -1.401 -1.240 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -8.389 -3.442 -3.385 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -4.115 -1.026 -3.366 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -7.129 -3.069 -5.512 1.00 0.00 H new ATOM 0 HZ PHE A 39 -5.006 -1.866 -5.478 1.00 0.00 H new ATOM 635 N TRP A 40 -7.476 -3.374 2.489 1.00 0.00 N ATOM 636 CA TRP A 40 -8.257 -3.586 3.696 1.00 0.00 C ATOM 637 C TRP A 40 -9.633 -2.949 3.485 1.00 0.00 C ATOM 638 O TRP A 40 -10.654 -3.537 3.839 1.00 0.00 O ATOM 639 CB TRP A 40 -7.528 -3.041 4.925 1.00 0.00 C ATOM 640 CG TRP A 40 -6.373 -3.923 5.405 1.00 0.00 C ATOM 641 CD1 TRP A 40 -5.863 -5.010 4.810 1.00 0.00 C ATOM 642 CD2 TRP A 40 -5.602 -3.746 6.612 1.00 0.00 C ATOM 643 NE1 TRP A 40 -4.823 -5.545 5.542 1.00 0.00 N ATOM 644 CE2 TRP A 40 -4.659 -4.752 6.673 1.00 0.00 C ATOM 645 CE3 TRP A 40 -5.698 -2.770 7.619 1.00 0.00 C ATOM 646 CZ2 TRP A 40 -3.740 -4.879 7.721 1.00 0.00 C ATOM 647 CZ3 TRP A 40 -4.772 -2.910 8.660 1.00 0.00 C ATOM 648 CH2 TRP A 40 -3.816 -3.917 8.735 1.00 0.00 C ATOM 0 H TRP A 40 -6.601 -2.869 2.631 1.00 0.00 H new ATOM 0 HA TRP A 40 -8.391 -4.651 3.887 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -7.142 -2.048 4.695 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -8.245 -2.924 5.738 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -6.221 -5.416 3.875 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -4.275 -6.370 5.299 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -6.428 -1.975 7.592 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -3.012 -5.676 7.746 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -4.802 -2.185 9.460 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -3.135 -3.957 9.572 1.00 0.00 H new ATOM 659 N LYS A 41 -9.615 -1.756 2.910 1.00 0.00 N ATOM 660 CA LYS A 41 -10.849 -1.034 2.648 1.00 0.00 C ATOM 661 C LYS A 41 -11.031 -0.876 1.137 1.00 0.00 C ATOM 662 O LYS A 41 -10.564 0.100 0.550 1.00 0.00 O ATOM 663 CB LYS A 41 -10.865 0.292 3.411 1.00 0.00 C ATOM 664 CG LYS A 41 -11.222 0.074 4.882 1.00 0.00 C ATOM 665 CD LYS A 41 -12.449 0.897 5.278 1.00 0.00 C ATOM 666 CE LYS A 41 -13.322 0.134 6.276 1.00 0.00 C ATOM 667 NZ LYS A 41 -12.534 -0.245 7.470 1.00 0.00 N ATOM 0 H LYS A 41 -8.766 -1.271 2.618 1.00 0.00 H new ATOM 0 HA LYS A 41 -11.706 -1.598 3.016 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -9.888 0.770 3.337 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -11.587 0.970 2.955 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -11.417 -0.984 5.059 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -10.376 0.352 5.510 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -12.131 1.843 5.717 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -13.032 1.138 4.389 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -14.169 0.752 6.573 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -13.729 -0.760 5.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -13.177 -0.561 8.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -11.882 -1.017 7.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -11.989 0.576 7.801 1.00 0.00 H new ATOM 681 N SER A 42 -11.713 -1.848 0.551 1.00 0.00 N ATOM 682 CA SER A 42 -11.963 -1.829 -0.881 1.00 0.00 C ATOM 683 C SER A 42 -12.240 -0.398 -1.345 1.00 0.00 C ATOM 684 O SER A 42 -13.308 0.149 -1.077 1.00 0.00 O ATOM 685 CB SER A 42 -13.134 -2.743 -1.248 1.00 0.00 C ATOM 686 OG SER A 42 -14.276 -2.499 -0.431 1.00 0.00 O ATOM 0 H SER A 42 -12.101 -2.654 1.041 1.00 0.00 H new ATOM 0 HA SER A 42 -11.074 -2.202 -1.388 1.00 0.00 H new ATOM 0 HB2 SER A 42 -13.398 -2.592 -2.295 1.00 0.00 H new ATOM 0 HB3 SER A 42 -12.828 -3.784 -1.143 1.00 0.00 H new ATOM 0 HG SER A 42 -14.411 -1.533 -0.337 1.00 0.00 H new ATOM 692 N PRO A 43 -11.233 0.182 -2.050 1.00 0.00 N ATOM 693 CA PRO A 43 -11.357 1.540 -2.554 1.00 0.00 C ATOM 694 C PRO A 43 -12.286 1.591 -3.770 1.00 0.00 C ATOM 695 O PRO A 43 -11.903 2.092 -4.826 1.00 0.00 O ATOM 696 CB PRO A 43 -9.935 1.973 -2.873 1.00 0.00 C ATOM 697 CG PRO A 43 -9.123 0.693 -2.977 1.00 0.00 C ATOM 698 CD PRO A 43 -9.953 -0.435 -2.387 1.00 0.00 C ATOM 0 HA PRO A 43 -11.812 2.217 -1.831 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -9.898 2.536 -3.806 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -9.540 2.623 -2.092 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -8.876 0.481 -4.017 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -8.180 0.794 -2.440 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -10.081 -1.248 -3.102 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -9.474 -0.859 -1.505 1.00 0.00 H new ATOM 706 N THR A 44 -13.486 1.064 -3.580 1.00 0.00 N ATOM 707 CA THR A 44 -14.471 1.043 -4.648 1.00 0.00 C ATOM 708 C THR A 44 -14.928 2.464 -4.980 1.00 0.00 C ATOM 709 O THR A 44 -14.765 2.925 -6.109 1.00 0.00 O ATOM 710 CB THR A 44 -15.615 0.122 -4.217 1.00 0.00 C ATOM 711 OG1 THR A 44 -15.229 -1.161 -4.704 1.00 0.00 O ATOM 712 CG2 THR A 44 -16.920 0.425 -4.957 1.00 0.00 C ATOM 0 H THR A 44 -13.799 0.648 -2.703 1.00 0.00 H new ATOM 0 HA THR A 44 -14.046 0.648 -5.571 1.00 0.00 H new ATOM 0 HB THR A 44 -15.776 0.219 -3.143 1.00 0.00 H new ATOM 0 HG1 THR A 44 -15.914 -1.821 -4.467 1.00 0.00 H new ATOM 0 HG21 THR A 44 -17.699 -0.256 -4.615 1.00 0.00 H new ATOM 0 HG22 THR A 44 -17.222 1.453 -4.756 1.00 0.00 H new ATOM 0 HG23 THR A 44 -16.769 0.294 -6.029 1.00 0.00 H new ATOM 720 N THR A 45 -15.491 3.121 -3.976 1.00 0.00 N ATOM 721 CA THR A 45 -15.972 4.481 -4.148 1.00 0.00 C ATOM 722 C THR A 45 -15.050 5.468 -3.429 1.00 0.00 C ATOM 723 O THR A 45 -14.251 5.072 -2.581 1.00 0.00 O ATOM 724 CB THR A 45 -17.420 4.535 -3.658 1.00 0.00 C ATOM 725 OG1 THR A 45 -17.305 4.582 -2.238 1.00 0.00 O ATOM 726 CG2 THR A 45 -18.179 3.235 -3.926 1.00 0.00 C ATOM 0 H THR A 45 -15.625 2.736 -3.041 1.00 0.00 H new ATOM 0 HA THR A 45 -15.957 4.776 -5.197 1.00 0.00 H new ATOM 0 HB THR A 45 -17.936 5.363 -4.144 1.00 0.00 H new ATOM 0 HG1 THR A 45 -18.199 4.621 -1.838 1.00 0.00 H new ATOM 0 HG21 THR A 45 -19.201 3.328 -3.558 1.00 0.00 H new ATOM 0 HG22 THR A 45 -18.195 3.038 -4.998 1.00 0.00 H new ATOM 0 HG23 THR A 45 -17.682 2.411 -3.413 1.00 0.00 H new ATOM 734 N PRO A 46 -15.195 6.767 -3.804 1.00 0.00 N ATOM 735 CA PRO A 46 -14.384 7.814 -3.205 1.00 0.00 C ATOM 736 C PRO A 46 -14.862 8.133 -1.787 1.00 0.00 C ATOM 737 O PRO A 46 -16.049 8.013 -1.486 1.00 0.00 O ATOM 738 CB PRO A 46 -14.504 8.996 -4.152 1.00 0.00 C ATOM 739 CG PRO A 46 -15.739 8.729 -4.997 1.00 0.00 C ATOM 740 CD PRO A 46 -16.130 7.272 -4.804 1.00 0.00 C ATOM 0 HA PRO A 46 -13.341 7.522 -3.086 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -14.603 9.930 -3.600 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -13.616 9.088 -4.777 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -16.556 9.386 -4.698 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -15.534 8.933 -6.048 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -17.161 7.181 -4.464 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -16.052 6.714 -5.737 1.00 0.00 H new ATOM 748 N GLY A 47 -13.914 8.535 -0.953 1.00 0.00 N ATOM 749 CA GLY A 47 -14.223 8.873 0.426 1.00 0.00 C ATOM 750 C GLY A 47 -13.849 7.726 1.369 1.00 0.00 C ATOM 751 O GLY A 47 -13.660 7.939 2.565 1.00 0.00 O ATOM 0 H GLY A 47 -12.931 8.634 -1.206 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -13.683 9.775 0.713 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -15.286 9.094 0.521 1.00 0.00 H new ATOM 755 N GLU A 48 -13.752 6.537 0.793 1.00 0.00 N ATOM 756 CA GLU A 48 -13.405 5.357 1.566 1.00 0.00 C ATOM 757 C GLU A 48 -11.898 5.102 1.496 1.00 0.00 C ATOM 758 O GLU A 48 -11.399 4.585 0.497 1.00 0.00 O ATOM 759 CB GLU A 48 -14.191 4.136 1.088 1.00 0.00 C ATOM 760 CG GLU A 48 -15.606 4.529 0.657 1.00 0.00 C ATOM 761 CD GLU A 48 -16.443 4.968 1.860 1.00 0.00 C ATOM 762 OE1 GLU A 48 -15.888 5.711 2.698 1.00 0.00 O ATOM 763 OE2 GLU A 48 -17.620 4.550 1.914 1.00 0.00 O ATOM 0 H GLU A 48 -13.908 6.365 -0.200 1.00 0.00 H new ATOM 0 HA GLU A 48 -13.676 5.536 2.607 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -13.670 3.667 0.253 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -14.243 3.397 1.887 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -15.557 5.339 -0.071 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -16.087 3.685 0.163 1.00 0.00 H new ATOM 770 N THR A 49 -11.215 5.475 2.569 1.00 0.00 N ATOM 771 CA THR A 49 -9.776 5.293 2.640 1.00 0.00 C ATOM 772 C THR A 49 -9.415 3.817 2.457 1.00 0.00 C ATOM 773 O THR A 49 -10.142 2.936 2.913 1.00 0.00 O ATOM 774 CB THR A 49 -9.291 5.876 3.969 1.00 0.00 C ATOM 775 OG1 THR A 49 -10.265 5.442 4.915 1.00 0.00 O ATOM 776 CG2 THR A 49 -9.388 7.403 4.009 1.00 0.00 C ATOM 0 H THR A 49 -11.632 5.902 3.396 1.00 0.00 H new ATOM 0 HA THR A 49 -9.270 5.822 1.832 1.00 0.00 H new ATOM 0 HB THR A 49 -8.258 5.573 4.143 1.00 0.00 H new ATOM 0 HG1 THR A 49 -10.027 5.775 5.806 1.00 0.00 H new ATOM 0 HG21 THR A 49 -9.032 7.765 4.973 1.00 0.00 H new ATOM 0 HG22 THR A 49 -8.776 7.827 3.213 1.00 0.00 H new ATOM 0 HG23 THR A 49 -10.426 7.705 3.869 1.00 0.00 H new ATOM 784 N ALA A 50 -8.293 3.594 1.789 1.00 0.00 N ATOM 785 CA ALA A 50 -7.827 2.240 1.541 1.00 0.00 C ATOM 786 C ALA A 50 -6.582 1.970 2.388 1.00 0.00 C ATOM 787 O ALA A 50 -5.883 2.900 2.784 1.00 0.00 O ATOM 788 CB ALA A 50 -7.565 2.058 0.044 1.00 0.00 C ATOM 0 H ALA A 50 -7.693 4.328 1.412 1.00 0.00 H new ATOM 0 HA ALA A 50 -8.586 1.513 1.831 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -7.215 1.043 -0.143 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -8.487 2.232 -0.511 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -6.806 2.769 -0.282 1.00 0.00 H new ATOM 794 N HIS A 51 -6.344 0.691 2.641 1.00 0.00 N ATOM 795 CA HIS A 51 -5.195 0.287 3.434 1.00 0.00 C ATOM 796 C HIS A 51 -4.733 -1.105 2.995 1.00 0.00 C ATOM 797 O HIS A 51 -5.277 -2.113 3.441 1.00 0.00 O ATOM 798 CB HIS A 51 -5.514 0.360 4.928 1.00 0.00 C ATOM 799 CG HIS A 51 -6.556 1.395 5.284 1.00 0.00 C ATOM 800 ND1 HIS A 51 -7.814 1.061 5.753 1.00 0.00 N ATOM 801 CD2 HIS A 51 -6.512 2.757 5.234 1.00 0.00 C ATOM 802 CE1 HIS A 51 -8.489 2.180 5.972 1.00 0.00 C ATOM 803 NE2 HIS A 51 -7.681 3.230 5.649 1.00 0.00 N ATOM 0 H HIS A 51 -6.927 -0.078 2.311 1.00 0.00 H new ATOM 0 HA HIS A 51 -4.369 0.978 3.263 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -5.859 -0.618 5.264 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -4.597 0.580 5.475 1.00 0.00 H new ATOM 0 HD1 HIS A 51 -8.163 0.114 5.904 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -5.669 3.350 4.912 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -9.502 2.248 6.342 1.00 0.00 H new ATOM 812 N VAL A 52 -3.733 -1.112 2.125 1.00 0.00 N ATOM 813 CA VAL A 52 -3.191 -2.363 1.621 1.00 0.00 C ATOM 814 C VAL A 52 -1.774 -2.556 2.166 1.00 0.00 C ATOM 815 O VAL A 52 -1.024 -1.592 2.309 1.00 0.00 O ATOM 816 CB VAL A 52 -3.250 -2.379 0.092 1.00 0.00 C ATOM 817 CG1 VAL A 52 -3.135 -0.964 -0.477 1.00 0.00 C ATOM 818 CG2 VAL A 52 -2.170 -3.294 -0.488 1.00 0.00 C ATOM 0 H VAL A 52 -3.285 -0.273 1.757 1.00 0.00 H new ATOM 0 HA VAL A 52 -3.790 -3.206 1.966 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.221 -2.779 -0.202 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -3.180 -1.005 -1.565 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -3.957 -0.353 -0.103 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -2.186 -0.524 -0.169 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.234 -3.288 -1.576 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -1.187 -2.937 -0.180 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -2.319 -4.310 -0.122 1.00 0.00 H new ATOM 828 N ARG A 53 -1.452 -3.808 2.456 1.00 0.00 N ATOM 829 CA ARG A 53 -0.139 -4.141 2.982 1.00 0.00 C ATOM 830 C ARG A 53 0.853 -4.354 1.838 1.00 0.00 C ATOM 831 O ARG A 53 1.083 -5.485 1.412 1.00 0.00 O ATOM 832 CB ARG A 53 -0.195 -5.405 3.842 1.00 0.00 C ATOM 833 CG ARG A 53 -0.962 -5.151 5.142 1.00 0.00 C ATOM 834 CD ARG A 53 -0.335 -5.920 6.307 1.00 0.00 C ATOM 835 NE ARG A 53 -0.821 -7.317 6.311 1.00 0.00 N ATOM 836 CZ ARG A 53 -0.469 -8.233 7.224 1.00 0.00 C ATOM 837 NH1 ARG A 53 0.373 -7.903 8.213 1.00 0.00 N ATOM 838 NH2 ARG A 53 -0.960 -9.477 7.149 1.00 0.00 N ATOM 0 H ARG A 53 -2.078 -4.604 2.337 1.00 0.00 H new ATOM 0 HA ARG A 53 0.191 -3.308 3.602 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -0.675 -6.208 3.283 1.00 0.00 H new ATOM 0 HB3 ARG A 53 0.817 -5.738 4.072 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -0.964 -4.084 5.365 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -2.002 -5.453 5.020 1.00 0.00 H new ATOM 0 HD2 ARG A 53 0.751 -5.905 6.221 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -0.587 -5.436 7.251 1.00 0.00 H new ATOM 0 HE ARG A 53 -1.465 -7.601 5.572 1.00 0.00 H new ATOM 0 HH11 ARG A 53 0.746 -6.955 8.271 1.00 0.00 H new ATOM 0 HH12 ARG A 53 0.641 -8.600 8.908 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -1.602 -9.727 6.397 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -0.692 -10.174 7.844 1.00 0.00 H new ATOM 852 N VAL A 54 1.415 -3.248 1.371 1.00 0.00 N ATOM 853 CA VAL A 54 2.378 -3.299 0.284 1.00 0.00 C ATOM 854 C VAL A 54 3.764 -3.619 0.850 1.00 0.00 C ATOM 855 O VAL A 54 4.115 -3.163 1.937 1.00 0.00 O ATOM 856 CB VAL A 54 2.343 -1.991 -0.508 1.00 0.00 C ATOM 857 CG1 VAL A 54 2.409 -0.782 0.427 1.00 0.00 C ATOM 858 CG2 VAL A 54 3.470 -1.946 -1.542 1.00 0.00 C ATOM 0 H VAL A 54 1.222 -2.311 1.726 1.00 0.00 H new ATOM 0 HA VAL A 54 2.122 -4.094 -0.416 1.00 0.00 H new ATOM 0 HB VAL A 54 1.395 -1.949 -1.044 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.383 0.135 -0.162 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.558 -0.801 1.107 1.00 0.00 H new ATOM 0 HG13 VAL A 54 3.334 -0.817 1.002 1.00 0.00 H new ATOM 0 HG21 VAL A 54 3.422 -1.006 -2.091 1.00 0.00 H new ATOM 0 HG22 VAL A 54 4.432 -2.022 -1.035 1.00 0.00 H new ATOM 0 HG23 VAL A 54 3.359 -2.778 -2.237 1.00 0.00 H new ATOM 868 N PRO A 55 4.533 -4.422 0.067 1.00 0.00 N ATOM 869 CA PRO A 55 5.872 -4.807 0.478 1.00 0.00 C ATOM 870 C PRO A 55 6.853 -3.645 0.312 1.00 0.00 C ATOM 871 O PRO A 55 6.842 -2.959 -0.709 1.00 0.00 O ATOM 872 CB PRO A 55 6.219 -6.007 -0.389 1.00 0.00 C ATOM 873 CG PRO A 55 5.260 -5.963 -1.567 1.00 0.00 C ATOM 874 CD PRO A 55 4.151 -4.980 -1.227 1.00 0.00 C ATOM 0 HA PRO A 55 5.930 -5.066 1.535 1.00 0.00 H new ATOM 0 HB2 PRO A 55 7.254 -5.958 -0.727 1.00 0.00 H new ATOM 0 HB3 PRO A 55 6.109 -6.937 0.169 1.00 0.00 H new ATOM 0 HG2 PRO A 55 5.781 -5.653 -2.473 1.00 0.00 H new ATOM 0 HG3 PRO A 55 4.847 -6.953 -1.760 1.00 0.00 H new ATOM 0 HD2 PRO A 55 4.067 -4.201 -1.985 1.00 0.00 H new ATOM 0 HD3 PRO A 55 3.183 -5.478 -1.173 1.00 0.00 H new ATOM 882 N PHE A 56 7.679 -3.460 1.331 1.00 0.00 N ATOM 883 CA PHE A 56 8.665 -2.392 1.310 1.00 0.00 C ATOM 884 C PHE A 56 9.453 -2.399 -0.001 1.00 0.00 C ATOM 885 O PHE A 56 9.769 -1.342 -0.545 1.00 0.00 O ATOM 886 CB PHE A 56 9.627 -2.651 2.472 1.00 0.00 C ATOM 887 CG PHE A 56 10.347 -1.397 2.973 1.00 0.00 C ATOM 888 CD1 PHE A 56 9.696 -0.515 3.779 1.00 0.00 C ATOM 889 CD2 PHE A 56 11.638 -1.164 2.614 1.00 0.00 C ATOM 890 CE1 PHE A 56 10.364 0.649 4.244 1.00 0.00 C ATOM 891 CE2 PHE A 56 12.306 0.000 3.079 1.00 0.00 C ATOM 892 CZ PHE A 56 11.655 0.881 3.884 1.00 0.00 C ATOM 0 H PHE A 56 7.686 -4.031 2.176 1.00 0.00 H new ATOM 0 HA PHE A 56 8.170 -1.425 1.399 1.00 0.00 H new ATOM 0 HB2 PHE A 56 9.071 -3.094 3.299 1.00 0.00 H new ATOM 0 HB3 PHE A 56 10.370 -3.384 2.159 1.00 0.00 H new ATOM 0 HD1 PHE A 56 8.671 -0.700 4.065 1.00 0.00 H new ATOM 0 HD2 PHE A 56 12.155 -1.864 1.975 1.00 0.00 H new ATOM 0 HE1 PHE A 56 9.847 1.350 4.883 1.00 0.00 H new ATOM 0 HE2 PHE A 56 13.331 0.185 2.793 1.00 0.00 H new ATOM 0 HZ PHE A 56 12.163 1.766 4.238 1.00 0.00 H new ATOM 902 N VAL A 57 9.746 -3.602 -0.472 1.00 0.00 N ATOM 903 CA VAL A 57 10.491 -3.761 -1.709 1.00 0.00 C ATOM 904 C VAL A 57 9.638 -3.269 -2.879 1.00 0.00 C ATOM 905 O VAL A 57 10.160 -2.973 -3.953 1.00 0.00 O ATOM 906 CB VAL A 57 10.942 -5.214 -1.867 1.00 0.00 C ATOM 907 CG1 VAL A 57 9.798 -6.180 -1.549 1.00 0.00 C ATOM 908 CG2 VAL A 57 11.500 -5.466 -3.269 1.00 0.00 C ATOM 0 H VAL A 57 9.481 -4.476 -0.019 1.00 0.00 H new ATOM 0 HA VAL A 57 11.397 -3.155 -1.689 1.00 0.00 H new ATOM 0 HB VAL A 57 11.743 -5.396 -1.151 1.00 0.00 H new ATOM 0 HG11 VAL A 57 10.145 -7.206 -1.669 1.00 0.00 H new ATOM 0 HG12 VAL A 57 9.467 -6.026 -0.522 1.00 0.00 H new ATOM 0 HG13 VAL A 57 8.967 -5.996 -2.230 1.00 0.00 H new ATOM 0 HG21 VAL A 57 11.813 -6.507 -3.354 1.00 0.00 H new ATOM 0 HG22 VAL A 57 10.729 -5.257 -4.010 1.00 0.00 H new ATOM 0 HG23 VAL A 57 12.356 -4.814 -3.443 1.00 0.00 H new ATOM 918 N ASN A 58 8.338 -3.196 -2.634 1.00 0.00 N ATOM 919 CA ASN A 58 7.407 -2.745 -3.653 1.00 0.00 C ATOM 920 C ASN A 58 6.678 -1.495 -3.156 1.00 0.00 C ATOM 921 O ASN A 58 5.683 -1.076 -3.745 1.00 0.00 O ATOM 922 CB ASN A 58 6.356 -3.817 -3.952 1.00 0.00 C ATOM 923 CG ASN A 58 5.713 -3.588 -5.321 1.00 0.00 C ATOM 924 OD1 ASN A 58 5.035 -2.602 -5.560 1.00 0.00 O ATOM 925 ND2 ASN A 58 5.964 -4.549 -6.205 1.00 0.00 N ATOM 0 H ASN A 58 7.907 -3.442 -1.743 1.00 0.00 H new ATOM 0 HA ASN A 58 7.976 -2.534 -4.559 1.00 0.00 H new ATOM 0 HB2 ASN A 58 6.819 -4.803 -3.924 1.00 0.00 H new ATOM 0 HB3 ASN A 58 5.588 -3.804 -3.179 1.00 0.00 H new ATOM 0 HD21 ASN A 58 5.581 -4.487 -7.148 1.00 0.00 H new ATOM 0 HD22 ASN A 58 6.540 -5.348 -5.940 1.00 0.00 H new ATOM 932 N VAL A 59 7.203 -0.934 -2.077 1.00 0.00 N ATOM 933 CA VAL A 59 6.616 0.261 -1.495 1.00 0.00 C ATOM 934 C VAL A 59 6.979 1.474 -2.353 1.00 0.00 C ATOM 935 O VAL A 59 6.191 2.411 -2.474 1.00 0.00 O ATOM 936 CB VAL A 59 7.060 0.405 -0.037 1.00 0.00 C ATOM 937 CG1 VAL A 59 7.159 1.879 0.363 1.00 0.00 C ATOM 938 CG2 VAL A 59 6.121 -0.355 0.901 1.00 0.00 C ATOM 0 H VAL A 59 8.028 -1.285 -1.591 1.00 0.00 H new ATOM 0 HA VAL A 59 5.529 0.185 -1.484 1.00 0.00 H new ATOM 0 HB VAL A 59 8.053 -0.035 0.055 1.00 0.00 H new ATOM 0 HG11 VAL A 59 7.476 1.953 1.403 1.00 0.00 H new ATOM 0 HG12 VAL A 59 7.886 2.381 -0.275 1.00 0.00 H new ATOM 0 HG13 VAL A 59 6.185 2.354 0.246 1.00 0.00 H new ATOM 0 HG21 VAL A 59 6.460 -0.236 1.930 1.00 0.00 H new ATOM 0 HG22 VAL A 59 5.110 0.041 0.803 1.00 0.00 H new ATOM 0 HG23 VAL A 59 6.123 -1.413 0.639 1.00 0.00 H new ATOM 948 N GLN A 60 8.171 1.417 -2.926 1.00 0.00 N ATOM 949 CA GLN A 60 8.648 2.501 -3.770 1.00 0.00 C ATOM 950 C GLN A 60 7.844 2.552 -5.071 1.00 0.00 C ATOM 951 O GLN A 60 7.142 3.529 -5.331 1.00 0.00 O ATOM 952 CB GLN A 60 10.144 2.354 -4.057 1.00 0.00 C ATOM 953 CG GLN A 60 10.768 3.704 -4.416 1.00 0.00 C ATOM 954 CD GLN A 60 11.804 4.126 -3.372 1.00 0.00 C ATOM 955 OE1 GLN A 60 11.569 4.985 -2.538 1.00 0.00 O ATOM 956 NE2 GLN A 60 12.960 3.473 -3.463 1.00 0.00 N ATOM 0 H GLN A 60 8.821 0.638 -2.823 1.00 0.00 H new ATOM 0 HA GLN A 60 8.504 3.441 -3.238 1.00 0.00 H new ATOM 0 HB2 GLN A 60 10.646 1.938 -3.184 1.00 0.00 H new ATOM 0 HB3 GLN A 60 10.294 1.651 -4.876 1.00 0.00 H new ATOM 0 HG2 GLN A 60 11.240 3.641 -5.397 1.00 0.00 H new ATOM 0 HG3 GLN A 60 9.988 4.462 -4.486 1.00 0.00 H new ATOM 0 HE21 GLN A 60 13.090 2.765 -4.186 1.00 0.00 H new ATOM 0 HE22 GLN A 60 13.716 3.680 -2.810 1.00 0.00 H new ATOM 965 N ALA A 61 7.973 1.491 -5.852 1.00 0.00 N ATOM 966 CA ALA A 61 7.267 1.404 -7.120 1.00 0.00 C ATOM 967 C ALA A 61 5.817 1.851 -6.922 1.00 0.00 C ATOM 968 O ALA A 61 5.231 2.479 -7.803 1.00 0.00 O ATOM 969 CB ALA A 61 7.369 -0.022 -7.664 1.00 0.00 C ATOM 0 H ALA A 61 8.556 0.683 -5.632 1.00 0.00 H new ATOM 0 HA ALA A 61 7.719 2.067 -7.858 1.00 0.00 H new ATOM 0 HB1 ALA A 61 6.840 -0.087 -8.615 1.00 0.00 H new ATOM 0 HB2 ALA A 61 8.417 -0.280 -7.814 1.00 0.00 H new ATOM 0 HB3 ALA A 61 6.923 -0.716 -6.952 1.00 0.00 H new ATOM 975 N VAL A 62 5.278 1.508 -5.760 1.00 0.00 N ATOM 976 CA VAL A 62 3.908 1.865 -5.436 1.00 0.00 C ATOM 977 C VAL A 62 3.832 3.366 -5.149 1.00 0.00 C ATOM 978 O VAL A 62 2.930 4.049 -5.632 1.00 0.00 O ATOM 979 CB VAL A 62 3.405 1.008 -4.273 1.00 0.00 C ATOM 980 CG1 VAL A 62 2.093 1.561 -3.713 1.00 0.00 C ATOM 981 CG2 VAL A 62 3.247 -0.453 -4.698 1.00 0.00 C ATOM 0 H VAL A 62 5.766 0.987 -5.032 1.00 0.00 H new ATOM 0 HA VAL A 62 3.250 1.661 -6.281 1.00 0.00 H new ATOM 0 HB VAL A 62 4.151 1.047 -3.479 1.00 0.00 H new ATOM 0 HG11 VAL A 62 1.757 0.934 -2.887 1.00 0.00 H new ATOM 0 HG12 VAL A 62 2.250 2.578 -3.355 1.00 0.00 H new ATOM 0 HG13 VAL A 62 1.336 1.565 -4.497 1.00 0.00 H new ATOM 0 HG21 VAL A 62 2.888 -1.041 -3.853 1.00 0.00 H new ATOM 0 HG22 VAL A 62 2.530 -0.518 -5.516 1.00 0.00 H new ATOM 0 HG23 VAL A 62 4.210 -0.842 -5.028 1.00 0.00 H new ATOM 991 N LYS A 63 4.790 3.836 -4.362 1.00 0.00 N ATOM 992 CA LYS A 63 4.843 5.243 -4.005 1.00 0.00 C ATOM 993 C LYS A 63 4.885 6.087 -5.280 1.00 0.00 C ATOM 994 O LYS A 63 4.307 7.172 -5.330 1.00 0.00 O ATOM 995 CB LYS A 63 6.009 5.510 -3.051 1.00 0.00 C ATOM 996 CG LYS A 63 5.678 6.650 -2.085 1.00 0.00 C ATOM 997 CD LYS A 63 6.953 7.265 -1.506 1.00 0.00 C ATOM 998 CE LYS A 63 6.762 7.638 -0.034 1.00 0.00 C ATOM 999 NZ LYS A 63 8.003 8.225 0.517 1.00 0.00 N ATOM 0 H LYS A 63 5.536 3.266 -3.962 1.00 0.00 H new ATOM 0 HA LYS A 63 3.944 5.532 -3.461 1.00 0.00 H new ATOM 0 HB2 LYS A 63 6.236 4.605 -2.487 1.00 0.00 H new ATOM 0 HB3 LYS A 63 6.902 5.762 -3.624 1.00 0.00 H new ATOM 0 HG2 LYS A 63 5.104 7.417 -2.605 1.00 0.00 H new ATOM 0 HG3 LYS A 63 5.051 6.275 -1.276 1.00 0.00 H new ATOM 0 HD2 LYS A 63 7.778 6.559 -1.602 1.00 0.00 H new ATOM 0 HD3 LYS A 63 7.225 8.152 -2.077 1.00 0.00 H new ATOM 0 HE2 LYS A 63 5.942 8.349 0.064 1.00 0.00 H new ATOM 0 HE3 LYS A 63 6.486 6.753 0.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 7.856 8.472 1.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 8.777 7.534 0.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 8.250 9.081 -0.019 1.00 0.00 H new ATOM 1013 N VAL A 64 5.576 5.558 -6.279 1.00 0.00 N ATOM 1014 CA VAL A 64 5.701 6.250 -7.551 1.00 0.00 C ATOM 1015 C VAL A 64 4.371 6.173 -8.302 1.00 0.00 C ATOM 1016 O VAL A 64 3.992 7.112 -9.000 1.00 0.00 O ATOM 1017 CB VAL A 64 6.872 5.672 -8.348 1.00 0.00 C ATOM 1018 CG1 VAL A 64 6.735 5.996 -9.837 1.00 0.00 C ATOM 1019 CG2 VAL A 64 8.209 6.170 -7.798 1.00 0.00 C ATOM 0 H VAL A 64 6.055 4.659 -6.234 1.00 0.00 H new ATOM 0 HA VAL A 64 5.923 7.305 -7.391 1.00 0.00 H new ATOM 0 HB VAL A 64 6.849 4.588 -8.238 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.580 5.574 -10.381 1.00 0.00 H new ATOM 0 HG12 VAL A 64 5.808 5.568 -10.219 1.00 0.00 H new ATOM 0 HG13 VAL A 64 6.719 7.077 -9.974 1.00 0.00 H new ATOM 0 HG21 VAL A 64 9.024 5.744 -8.383 1.00 0.00 H new ATOM 0 HG22 VAL A 64 8.246 7.257 -7.862 1.00 0.00 H new ATOM 0 HG23 VAL A 64 8.311 5.864 -6.757 1.00 0.00 H new ATOM 1029 N PHE A 65 3.697 5.044 -8.133 1.00 0.00 N ATOM 1030 CA PHE A 65 2.416 4.832 -8.786 1.00 0.00 C ATOM 1031 C PHE A 65 1.383 5.856 -8.312 1.00 0.00 C ATOM 1032 O PHE A 65 0.766 6.542 -9.126 1.00 0.00 O ATOM 1033 CB PHE A 65 1.942 3.430 -8.398 1.00 0.00 C ATOM 1034 CG PHE A 65 0.736 2.938 -9.198 1.00 0.00 C ATOM 1035 CD1 PHE A 65 0.764 2.963 -10.557 1.00 0.00 C ATOM 1036 CD2 PHE A 65 -0.366 2.473 -8.550 1.00 0.00 C ATOM 1037 CE1 PHE A 65 -0.356 2.506 -11.300 1.00 0.00 C ATOM 1038 CE2 PHE A 65 -1.487 2.016 -9.293 1.00 0.00 C ATOM 1039 CZ PHE A 65 -1.458 2.042 -10.652 1.00 0.00 C ATOM 0 H PHE A 65 4.014 4.267 -7.553 1.00 0.00 H new ATOM 0 HA PHE A 65 2.526 4.940 -9.865 1.00 0.00 H new ATOM 0 HB2 PHE A 65 2.765 2.729 -8.533 1.00 0.00 H new ATOM 0 HB3 PHE A 65 1.689 3.424 -7.338 1.00 0.00 H new ATOM 0 HD1 PHE A 65 1.639 3.331 -11.072 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -0.389 2.451 -7.470 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -0.333 2.527 -12.380 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -2.362 1.648 -8.778 1.00 0.00 H new ATOM 0 HZ PHE A 65 -2.310 1.694 -11.217 1.00 0.00 H new ATOM 1049 N LEU A 66 1.226 5.927 -6.999 1.00 0.00 N ATOM 1050 CA LEU A 66 0.278 6.855 -6.407 1.00 0.00 C ATOM 1051 C LEU A 66 0.502 8.250 -6.995 1.00 0.00 C ATOM 1052 O LEU A 66 -0.414 8.843 -7.562 1.00 0.00 O ATOM 1053 CB LEU A 66 0.365 6.810 -4.880 1.00 0.00 C ATOM 1054 CG LEU A 66 -0.233 5.572 -4.211 1.00 0.00 C ATOM 1055 CD1 LEU A 66 0.729 4.992 -3.171 1.00 0.00 C ATOM 1056 CD2 LEU A 66 -1.605 5.882 -3.610 1.00 0.00 C ATOM 0 H LEU A 66 1.740 5.356 -6.328 1.00 0.00 H new ATOM 0 HA LEU A 66 -0.743 6.565 -6.653 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.414 6.882 -4.593 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -0.136 7.692 -4.481 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.381 4.809 -4.975 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.279 4.112 -2.710 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.663 4.710 -3.657 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.930 5.740 -2.404 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.008 4.985 -3.141 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.505 6.669 -2.862 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.281 6.214 -4.398 1.00 0.00 H new ATOM 1068 N GLU A 67 1.726 8.734 -6.840 1.00 0.00 N ATOM 1069 CA GLU A 67 2.083 10.047 -7.348 1.00 0.00 C ATOM 1070 C GLU A 67 1.741 10.150 -8.836 1.00 0.00 C ATOM 1071 O GLU A 67 1.172 11.148 -9.278 1.00 0.00 O ATOM 1072 CB GLU A 67 3.562 10.347 -7.103 1.00 0.00 C ATOM 1073 CG GLU A 67 3.764 11.044 -5.755 1.00 0.00 C ATOM 1074 CD GLU A 67 4.312 12.459 -5.947 1.00 0.00 C ATOM 1075 OE1 GLU A 67 5.478 12.562 -6.385 1.00 0.00 O ATOM 1076 OE2 GLU A 67 3.552 13.407 -5.650 1.00 0.00 O ATOM 0 H GLU A 67 2.483 8.239 -6.369 1.00 0.00 H new ATOM 0 HA GLU A 67 1.502 10.795 -6.808 1.00 0.00 H new ATOM 0 HB2 GLU A 67 4.134 9.419 -7.126 1.00 0.00 H new ATOM 0 HB3 GLU A 67 3.946 10.978 -7.904 1.00 0.00 H new ATOM 0 HG2 GLU A 67 2.816 11.087 -5.218 1.00 0.00 H new ATOM 0 HG3 GLU A 67 4.453 10.464 -5.141 1.00 0.00 H new ATOM 1083 N SER A 68 2.104 9.107 -9.568 1.00 0.00 N ATOM 1084 CA SER A 68 1.843 9.067 -10.997 1.00 0.00 C ATOM 1085 C SER A 68 0.354 9.299 -11.264 1.00 0.00 C ATOM 1086 O SER A 68 -0.008 10.042 -12.175 1.00 0.00 O ATOM 1087 CB SER A 68 2.290 7.735 -11.602 1.00 0.00 C ATOM 1088 OG SER A 68 1.248 6.764 -11.582 1.00 0.00 O ATOM 0 H SER A 68 2.577 8.283 -9.198 1.00 0.00 H new ATOM 0 HA SER A 68 2.419 9.861 -11.472 1.00 0.00 H new ATOM 0 HB2 SER A 68 2.617 7.895 -12.629 1.00 0.00 H new ATOM 0 HB3 SER A 68 3.150 7.356 -11.049 1.00 0.00 H new ATOM 0 HG SER A 68 1.193 6.361 -10.690 1.00 0.00 H new ATOM 1094 N GLN A 69 -0.468 8.650 -10.453 1.00 0.00 N ATOM 1095 CA GLN A 69 -1.909 8.776 -10.591 1.00 0.00 C ATOM 1096 C GLN A 69 -2.401 10.037 -9.878 1.00 0.00 C ATOM 1097 O GLN A 69 -3.601 10.207 -9.667 1.00 0.00 O ATOM 1098 CB GLN A 69 -2.622 7.532 -10.058 1.00 0.00 C ATOM 1099 CG GLN A 69 -2.297 7.305 -8.580 1.00 0.00 C ATOM 1100 CD GLN A 69 -3.175 6.199 -7.989 1.00 0.00 C ATOM 1101 OE1 GLN A 69 -2.699 5.196 -7.485 1.00 0.00 O ATOM 1102 NE2 GLN A 69 -4.480 6.440 -8.079 1.00 0.00 N ATOM 0 H GLN A 69 -0.164 8.035 -9.698 1.00 0.00 H new ATOM 0 HA GLN A 69 -2.147 8.864 -11.651 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -3.699 7.644 -10.184 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -2.322 6.660 -10.638 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -1.246 7.037 -8.472 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -2.448 8.230 -8.024 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -4.811 7.301 -8.514 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -5.150 5.763 -7.713 1.00 0.00 H new ATOM 1111 N GLY A 70 -1.450 10.890 -9.527 1.00 0.00 N ATOM 1112 CA GLY A 70 -1.773 12.130 -8.842 1.00 0.00 C ATOM 1113 C GLY A 70 -2.767 11.888 -7.706 1.00 0.00 C ATOM 1114 O GLY A 70 -3.810 12.537 -7.639 1.00 0.00 O ATOM 0 H GLY A 70 -0.456 10.747 -9.704 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -0.862 12.577 -8.443 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -2.193 12.842 -9.552 1.00 0.00 H new ATOM 1118 N ILE A 71 -2.410 10.950 -6.840 1.00 0.00 N ATOM 1119 CA ILE A 71 -3.259 10.613 -5.710 1.00 0.00 C ATOM 1120 C ILE A 71 -2.589 11.082 -4.417 1.00 0.00 C ATOM 1121 O ILE A 71 -1.471 11.594 -4.443 1.00 0.00 O ATOM 1122 CB ILE A 71 -3.598 9.121 -5.721 1.00 0.00 C ATOM 1123 CG1 ILE A 71 -4.828 8.832 -4.857 1.00 0.00 C ATOM 1124 CG2 ILE A 71 -2.391 8.281 -5.299 1.00 0.00 C ATOM 1125 CD1 ILE A 71 -5.618 7.644 -5.409 1.00 0.00 C ATOM 0 H ILE A 71 -1.545 10.413 -6.898 1.00 0.00 H new ATOM 0 HA ILE A 71 -4.214 11.134 -5.782 1.00 0.00 H new ATOM 0 HB ILE A 71 -3.847 8.835 -6.743 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -4.517 8.623 -3.834 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -5.468 9.714 -4.822 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -2.659 7.225 -5.315 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -1.566 8.457 -5.990 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -2.086 8.562 -4.291 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -6.487 7.460 -4.777 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -5.948 7.866 -6.424 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -4.983 6.758 -5.420 1.00 0.00 H new ATOM 1137 N ALA A 72 -3.301 10.891 -3.316 1.00 0.00 N ATOM 1138 CA ALA A 72 -2.789 11.288 -2.016 1.00 0.00 C ATOM 1139 C ALA A 72 -2.904 10.111 -1.046 1.00 0.00 C ATOM 1140 O ALA A 72 -3.999 9.601 -0.811 1.00 0.00 O ATOM 1141 CB ALA A 72 -3.546 12.524 -1.525 1.00 0.00 C ATOM 0 H ALA A 72 -4.228 10.467 -3.298 1.00 0.00 H new ATOM 0 HA ALA A 72 -1.735 11.557 -2.085 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -3.162 12.822 -0.549 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -3.408 13.340 -2.234 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -4.608 12.291 -1.441 1.00 0.00 H new ATOM 1147 N TYR A 73 -1.761 9.713 -0.509 1.00 0.00 N ATOM 1148 CA TYR A 73 -1.720 8.605 0.430 1.00 0.00 C ATOM 1149 C TYR A 73 -0.909 8.971 1.675 1.00 0.00 C ATOM 1150 O TYR A 73 -0.561 10.134 1.873 1.00 0.00 O ATOM 1151 CB TYR A 73 -1.019 7.458 -0.300 1.00 0.00 C ATOM 1152 CG TYR A 73 0.176 7.900 -1.149 1.00 0.00 C ATOM 1153 CD1 TYR A 73 -0.024 8.676 -2.273 1.00 0.00 C ATOM 1154 CD2 TYR A 73 1.454 7.521 -0.790 1.00 0.00 C ATOM 1155 CE1 TYR A 73 1.101 9.090 -3.071 1.00 0.00 C ATOM 1156 CE2 TYR A 73 2.579 7.936 -1.588 1.00 0.00 C ATOM 1157 CZ TYR A 73 2.346 8.700 -2.689 1.00 0.00 C ATOM 1158 OH TYR A 73 3.409 9.093 -3.443 1.00 0.00 O ATOM 0 H TYR A 73 -0.855 10.138 -0.706 1.00 0.00 H new ATOM 0 HA TYR A 73 -2.726 8.341 0.755 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -0.680 6.727 0.434 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -1.741 6.954 -0.942 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -1.024 8.973 -2.554 1.00 0.00 H new ATOM 0 HD2 TYR A 73 1.610 6.913 0.089 1.00 0.00 H new ATOM 0 HE1 TYR A 73 0.959 9.697 -3.953 1.00 0.00 H new ATOM 0 HE2 TYR A 73 3.584 7.647 -1.318 1.00 0.00 H new ATOM 0 HH TYR A 73 3.653 8.375 -4.064 1.00 0.00 H new ATOM 1168 N SER A 74 -0.633 7.958 2.482 1.00 0.00 N ATOM 1169 CA SER A 74 0.129 8.158 3.702 1.00 0.00 C ATOM 1170 C SER A 74 0.603 6.811 4.251 1.00 0.00 C ATOM 1171 O SER A 74 0.088 5.763 3.865 1.00 0.00 O ATOM 1172 CB SER A 74 -0.700 8.898 4.754 1.00 0.00 C ATOM 1173 OG SER A 74 -0.541 10.311 4.663 1.00 0.00 O ATOM 0 H SER A 74 -0.924 6.995 2.314 1.00 0.00 H new ATOM 0 HA SER A 74 0.998 8.772 3.465 1.00 0.00 H new ATOM 0 HB2 SER A 74 -1.753 8.643 4.631 1.00 0.00 H new ATOM 0 HB3 SER A 74 -0.405 8.563 5.749 1.00 0.00 H new ATOM 0 HG SER A 74 -0.509 10.577 3.720 1.00 0.00 H new ATOM 1179 N ILE A 75 1.580 6.883 5.143 1.00 0.00 N ATOM 1180 CA ILE A 75 2.130 5.681 5.748 1.00 0.00 C ATOM 1181 C ILE A 75 1.506 5.481 7.132 1.00 0.00 C ATOM 1182 O ILE A 75 1.494 6.400 7.950 1.00 0.00 O ATOM 1183 CB ILE A 75 3.658 5.741 5.766 1.00 0.00 C ATOM 1184 CG1 ILE A 75 4.215 5.962 4.358 1.00 0.00 C ATOM 1185 CG2 ILE A 75 4.248 4.493 6.426 1.00 0.00 C ATOM 1186 CD1 ILE A 75 5.122 7.194 4.314 1.00 0.00 C ATOM 0 H ILE A 75 2.005 7.754 5.461 1.00 0.00 H new ATOM 0 HA ILE A 75 1.876 4.804 5.153 1.00 0.00 H new ATOM 0 HB ILE A 75 3.959 6.597 6.369 1.00 0.00 H new ATOM 0 HG12 ILE A 75 4.775 5.082 4.043 1.00 0.00 H new ATOM 0 HG13 ILE A 75 3.393 6.086 3.653 1.00 0.00 H new ATOM 0 HG21 ILE A 75 5.336 4.561 6.426 1.00 0.00 H new ATOM 0 HG22 ILE A 75 3.889 4.420 7.453 1.00 0.00 H new ATOM 0 HG23 ILE A 75 3.940 3.607 5.870 1.00 0.00 H new ATOM 0 HD11 ILE A 75 5.504 7.328 3.302 1.00 0.00 H new ATOM 0 HD12 ILE A 75 4.552 8.076 4.607 1.00 0.00 H new ATOM 0 HD13 ILE A 75 5.956 7.056 5.002 1.00 0.00 H new ATOM 1198 N MET A 76 1.003 4.275 7.351 1.00 0.00 N ATOM 1199 CA MET A 76 0.380 3.943 8.620 1.00 0.00 C ATOM 1200 C MET A 76 1.387 3.297 9.573 1.00 0.00 C ATOM 1201 O MET A 76 1.738 3.878 10.598 1.00 0.00 O ATOM 1202 CB MET A 76 -0.786 2.982 8.381 1.00 0.00 C ATOM 1203 CG MET A 76 -1.652 2.846 9.635 1.00 0.00 C ATOM 1204 SD MET A 76 -2.988 4.028 9.584 1.00 0.00 S ATOM 1205 CE MET A 76 -2.869 4.703 11.233 1.00 0.00 C ATOM 0 H MET A 76 1.014 3.516 6.670 1.00 0.00 H new ATOM 0 HA MET A 76 0.016 4.864 9.076 1.00 0.00 H new ATOM 0 HB2 MET A 76 -1.395 3.343 7.552 1.00 0.00 H new ATOM 0 HB3 MET A 76 -0.402 2.004 8.092 1.00 0.00 H new ATOM 0 HG2 MET A 76 -2.053 1.835 9.703 1.00 0.00 H new ATOM 0 HG3 MET A 76 -1.045 3.009 10.526 1.00 0.00 H new ATOM 0 HE1 MET A 76 -3.638 5.463 11.371 1.00 0.00 H new ATOM 0 HE2 MET A 76 -3.010 3.906 11.963 1.00 0.00 H new ATOM 0 HE3 MET A 76 -1.886 5.152 11.372 1.00 0.00 H new ATOM 1215 N ILE A 77 1.824 2.102 9.201 1.00 0.00 N ATOM 1216 CA ILE A 77 2.783 1.370 10.010 1.00 0.00 C ATOM 1217 C ILE A 77 4.081 1.194 9.219 1.00 0.00 C ATOM 1218 O ILE A 77 4.071 1.219 7.989 1.00 0.00 O ATOM 1219 CB ILE A 77 2.177 0.053 10.499 1.00 0.00 C ATOM 1220 CG1 ILE A 77 3.176 -0.722 11.363 1.00 0.00 C ATOM 1221 CG2 ILE A 77 1.664 -0.784 9.325 1.00 0.00 C ATOM 1222 CD1 ILE A 77 3.520 0.057 12.634 1.00 0.00 C ATOM 0 H ILE A 77 1.531 1.623 8.350 1.00 0.00 H new ATOM 0 HA ILE A 77 3.031 1.933 10.910 1.00 0.00 H new ATOM 0 HB ILE A 77 1.318 0.285 11.128 1.00 0.00 H new ATOM 0 HG12 ILE A 77 2.756 -1.692 11.629 1.00 0.00 H new ATOM 0 HG13 ILE A 77 4.085 -0.913 10.792 1.00 0.00 H new ATOM 0 HG21 ILE A 77 1.238 -1.715 9.700 1.00 0.00 H new ATOM 0 HG22 ILE A 77 0.898 -0.225 8.787 1.00 0.00 H new ATOM 0 HG23 ILE A 77 2.490 -1.009 8.650 1.00 0.00 H new ATOM 0 HD11 ILE A 77 4.231 -0.515 13.230 1.00 0.00 H new ATOM 0 HD12 ILE A 77 3.961 1.016 12.364 1.00 0.00 H new ATOM 0 HD13 ILE A 77 2.613 0.225 13.214 1.00 0.00 H new ATOM 1234 N GLU A 78 5.167 1.019 9.958 1.00 0.00 N ATOM 1235 CA GLU A 78 6.470 0.839 9.340 1.00 0.00 C ATOM 1236 C GLU A 78 7.112 -0.462 9.826 1.00 0.00 C ATOM 1237 O GLU A 78 6.421 -1.455 10.046 1.00 0.00 O ATOM 1238 CB GLU A 78 7.380 2.037 9.620 1.00 0.00 C ATOM 1239 CG GLU A 78 8.377 2.247 8.478 1.00 0.00 C ATOM 1240 CD GLU A 78 9.722 2.749 9.010 1.00 0.00 C ATOM 1241 OE1 GLU A 78 10.332 2.001 9.804 1.00 0.00 O ATOM 1242 OE2 GLU A 78 10.107 3.868 8.611 1.00 0.00 O ATOM 0 H GLU A 78 5.171 0.998 10.978 1.00 0.00 H new ATOM 0 HA GLU A 78 6.333 0.773 8.261 1.00 0.00 H new ATOM 0 HB2 GLU A 78 6.776 2.935 9.750 1.00 0.00 H new ATOM 0 HB3 GLU A 78 7.919 1.878 10.554 1.00 0.00 H new ATOM 0 HG2 GLU A 78 8.521 1.310 7.940 1.00 0.00 H new ATOM 0 HG3 GLU A 78 7.973 2.965 7.765 1.00 0.00 H new ATOM 1249 N ASP A 79 8.427 -0.415 9.978 1.00 0.00 N ATOM 1250 CA ASP A 79 9.170 -1.577 10.434 1.00 0.00 C ATOM 1251 C ASP A 79 9.129 -1.637 11.962 1.00 0.00 C ATOM 1252 O ASP A 79 10.126 -1.359 12.626 1.00 0.00 O ATOM 1253 CB ASP A 79 10.636 -1.498 10.004 1.00 0.00 C ATOM 1254 CG ASP A 79 10.947 -2.129 8.645 1.00 0.00 C ATOM 1255 OD1 ASP A 79 10.998 -3.377 8.598 1.00 0.00 O ATOM 1256 OD2 ASP A 79 11.126 -1.349 7.686 1.00 0.00 O ATOM 0 H ASP A 79 8.997 0.410 9.793 1.00 0.00 H new ATOM 0 HA ASP A 79 8.712 -2.463 9.994 1.00 0.00 H new ATOM 0 HB2 ASP A 79 10.935 -0.450 9.978 1.00 0.00 H new ATOM 0 HB3 ASP A 79 11.248 -1.986 10.763 1.00 0.00 H new ATOM 1261 N VAL A 80 7.963 -2.002 12.476 1.00 0.00 N ATOM 1262 CA VAL A 80 7.778 -2.103 13.914 1.00 0.00 C ATOM 1263 C VAL A 80 8.993 -2.795 14.534 1.00 0.00 C ATOM 1264 O VAL A 80 9.158 -4.007 14.398 1.00 0.00 O ATOM 1265 CB VAL A 80 6.461 -2.817 14.224 1.00 0.00 C ATOM 1266 CG1 VAL A 80 6.603 -4.330 14.049 1.00 0.00 C ATOM 1267 CG2 VAL A 80 5.967 -2.471 15.630 1.00 0.00 C ATOM 0 H VAL A 80 7.137 -2.231 11.922 1.00 0.00 H new ATOM 0 HA VAL A 80 7.707 -1.111 14.359 1.00 0.00 H new ATOM 0 HB VAL A 80 5.714 -2.466 13.511 1.00 0.00 H new ATOM 0 HG11 VAL A 80 5.653 -4.813 14.276 1.00 0.00 H new ATOM 0 HG12 VAL A 80 6.887 -4.552 13.020 1.00 0.00 H new ATOM 0 HG13 VAL A 80 7.371 -4.704 14.726 1.00 0.00 H new ATOM 0 HG21 VAL A 80 5.029 -2.992 15.825 1.00 0.00 H new ATOM 0 HG22 VAL A 80 6.712 -2.779 16.363 1.00 0.00 H new ATOM 0 HG23 VAL A 80 5.807 -1.395 15.705 1.00 0.00 H new ATOM 1277 N GLN A 81 9.814 -1.997 15.201 1.00 0.00 N ATOM 1278 CA GLN A 81 11.009 -2.518 15.841 1.00 0.00 C ATOM 1279 C GLN A 81 10.642 -3.628 16.827 1.00 0.00 C ATOM 1280 O GLN A 81 9.464 -3.923 17.025 1.00 0.00 O ATOM 1281 CB GLN A 81 11.789 -1.402 16.539 1.00 0.00 C ATOM 1282 CG GLN A 81 12.923 -1.975 17.392 1.00 0.00 C ATOM 1283 CD GLN A 81 14.278 -1.425 16.943 1.00 0.00 C ATOM 1284 OE1 GLN A 81 14.401 -0.754 15.931 1.00 0.00 O ATOM 1285 NE2 GLN A 81 15.286 -1.746 17.749 1.00 0.00 N ATOM 0 H GLN A 81 9.675 -0.993 15.312 1.00 0.00 H new ATOM 0 HA GLN A 81 11.654 -2.941 15.071 1.00 0.00 H new ATOM 0 HB2 GLN A 81 12.199 -0.719 15.794 1.00 0.00 H new ATOM 0 HB3 GLN A 81 11.115 -0.821 17.168 1.00 0.00 H new ATOM 0 HG2 GLN A 81 12.755 -1.727 18.440 1.00 0.00 H new ATOM 0 HG3 GLN A 81 12.925 -3.062 17.318 1.00 0.00 H new ATOM 0 HE21 GLN A 81 15.114 -2.311 18.581 1.00 0.00 H new ATOM 0 HE22 GLN A 81 16.231 -1.427 17.536 1.00 0.00 H new TER 1294 GLN A 81