USER MOD reduce.3.24.130724 H: found=0, std=0, add=562, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 560 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 28 THR OG1 : rot -135:sc= -0.156! USER MOD Set 1.2: A 29 THR OG1 : rot 180:sc= 0.13 USER MOD Set 2.1: A 26 THR OG1 : rot -95:sc= 0.735 USER MOD Set 2.2: A 62 THR OG1 : rot 180:sc= 0.0291 USER MOD Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 0 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc=-0.00343 X(o=-0.0034,f=-0.075) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.357 USER MOD Single : A 8 GLN : amide:sc= -0.377 X(o=-0.38,f=-0.37) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 111:sc= 1.25 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 ASN : amide:sc= -0.968 K(o=-0.97,f=-5.1!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.105 USER MOD Single : A 49 GLN : amide:sc= -0.0269 X(o=-0.027,f=-0.22) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -0.11 K(o=-0.11,f=-0.65) USER MOD Single : A 60 ASN : amide:sc= -13.4! C(o=-13!,f=-23!) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 -22.638 -16.603 7.760 1.00 0.00 N ATOM 2 CA MET A 0 -23.947 -17.213 7.595 1.00 0.00 C ATOM 3 C MET A 0 -24.942 -16.222 6.988 1.00 0.00 C ATOM 4 O MET A 0 -25.751 -15.633 7.703 1.00 0.00 O ATOM 5 CB MET A 0 -24.464 -17.688 8.955 1.00 0.00 C ATOM 6 CG MET A 0 -25.207 -19.018 8.825 1.00 0.00 C ATOM 7 SD MET A 0 -25.997 -19.430 10.372 1.00 0.00 S ATOM 8 CE MET A 0 -25.415 -21.104 10.582 1.00 0.00 C ATOM 0 H1 MET A 0 -21.982 -17.296 8.173 1.00 0.00 H new ATOM 0 H2 MET A 0 -22.279 -16.296 6.834 1.00 0.00 H new ATOM 0 H3 MET A 0 -22.716 -15.780 8.391 1.00 0.00 H new ATOM 0 HA MET A 0 -23.849 -18.061 6.917 1.00 0.00 H new ATOM 0 HB2 MET A 0 -23.629 -17.800 9.647 1.00 0.00 H new ATOM 0 HB3 MET A 0 -25.129 -16.935 9.378 1.00 0.00 H new ATOM 0 HG2 MET A 0 -25.953 -18.951 8.033 1.00 0.00 H new ATOM 0 HG3 MET A 0 -24.510 -19.807 8.542 1.00 0.00 H new ATOM 0 HE1 MET A 0 -25.817 -21.516 11.508 1.00 0.00 H new ATOM 0 HE2 MET A 0 -25.746 -21.712 9.740 1.00 0.00 H new ATOM 0 HE3 MET A 0 -24.326 -21.108 10.627 1.00 0.00 H new ATOM 18 N ALA A 1 -24.848 -16.068 5.676 1.00 0.00 N ATOM 19 CA ALA A 1 -25.730 -15.158 4.964 1.00 0.00 C ATOM 20 C ALA A 1 -25.290 -15.067 3.502 1.00 0.00 C ATOM 21 O ALA A 1 -24.218 -15.551 3.142 1.00 0.00 O ATOM 22 CB ALA A 1 -25.727 -13.796 5.661 1.00 0.00 C ATOM 0 H ALA A 1 -24.175 -16.558 5.087 1.00 0.00 H new ATOM 0 HA ALA A 1 -26.755 -15.528 4.976 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -26.388 -13.113 5.128 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -26.076 -13.912 6.687 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -24.715 -13.392 5.665 1.00 0.00 H new ATOM 28 N ASP A 2 -26.139 -14.442 2.699 1.00 0.00 N ATOM 29 CA ASP A 2 -25.850 -14.281 1.285 1.00 0.00 C ATOM 30 C ASP A 2 -24.640 -13.360 1.117 1.00 0.00 C ATOM 31 O ASP A 2 -24.169 -12.765 2.085 1.00 0.00 O ATOM 32 CB ASP A 2 -27.033 -13.646 0.550 1.00 0.00 C ATOM 33 CG ASP A 2 -28.145 -14.618 0.153 1.00 0.00 C ATOM 34 OD1 ASP A 2 -27.801 -15.662 -0.443 1.00 0.00 O ATOM 35 OD2 ASP A 2 -29.315 -14.297 0.455 1.00 0.00 O ATOM 0 H ASP A 2 -27.027 -14.041 3.001 1.00 0.00 H new ATOM 0 HA ASP A 2 -25.653 -15.268 0.867 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -27.460 -12.869 1.184 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -26.661 -13.156 -0.350 1.00 0.00 H new ATOM 40 N GLN A 3 -24.171 -13.271 -0.119 1.00 0.00 N ATOM 41 CA GLN A 3 -23.025 -12.432 -0.426 1.00 0.00 C ATOM 42 C GLN A 3 -21.780 -12.950 0.296 1.00 0.00 C ATOM 43 O GLN A 3 -21.848 -13.328 1.465 1.00 0.00 O ATOM 44 CB GLN A 3 -23.301 -10.972 -0.064 1.00 0.00 C ATOM 45 CG GLN A 3 -23.069 -10.055 -1.266 1.00 0.00 C ATOM 46 CD GLN A 3 -23.509 -8.622 -0.957 1.00 0.00 C ATOM 47 OE1 GLN A 3 -23.258 -8.085 0.110 1.00 0.00 O ATOM 48 NE2 GLN A 3 -24.177 -8.036 -1.946 1.00 0.00 N ATOM 0 H GLN A 3 -24.564 -13.766 -0.920 1.00 0.00 H new ATOM 0 HA GLN A 3 -22.844 -12.477 -1.500 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -24.329 -10.868 0.284 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -22.654 -10.669 0.759 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -22.013 -10.064 -1.536 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -23.622 -10.431 -2.127 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -24.353 -8.543 -2.813 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -24.514 -7.079 -1.837 1.00 0.00 H new ATOM 57 N LEU A 4 -20.671 -12.951 -0.430 1.00 0.00 N ATOM 58 CA LEU A 4 -19.413 -13.417 0.127 1.00 0.00 C ATOM 59 C LEU A 4 -19.137 -12.680 1.440 1.00 0.00 C ATOM 60 O LEU A 4 -19.952 -11.874 1.886 1.00 0.00 O ATOM 61 CB LEU A 4 -18.288 -13.281 -0.901 1.00 0.00 C ATOM 62 CG LEU A 4 -18.161 -11.915 -1.579 1.00 0.00 C ATOM 63 CD1 LEU A 4 -16.835 -11.244 -1.215 1.00 0.00 C ATOM 64 CD2 LEU A 4 -18.347 -12.034 -3.093 1.00 0.00 C ATOM 0 H LEU A 4 -20.618 -12.636 -1.399 1.00 0.00 H new ATOM 0 HA LEU A 4 -19.472 -14.480 0.363 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -17.343 -13.509 -0.408 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -18.435 -14.036 -1.674 1.00 0.00 H new ATOM 0 HG LEU A 4 -18.960 -11.273 -1.207 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -16.770 -10.275 -1.710 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -16.782 -11.104 -0.135 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -16.007 -11.874 -1.540 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -18.252 -11.049 -3.550 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -17.586 -12.699 -3.502 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -19.336 -12.439 -3.307 1.00 0.00 H new ATOM 76 N THR A 5 -17.986 -12.984 2.022 1.00 0.00 N ATOM 77 CA THR A 5 -17.593 -12.361 3.274 1.00 0.00 C ATOM 78 C THR A 5 -16.069 -12.335 3.402 1.00 0.00 C ATOM 79 O THR A 5 -15.357 -12.485 2.410 1.00 0.00 O ATOM 80 CB THR A 5 -18.286 -13.112 4.413 1.00 0.00 C ATOM 81 OG1 THR A 5 -17.333 -14.093 4.813 1.00 0.00 O ATOM 82 CG2 THR A 5 -19.485 -13.931 3.931 1.00 0.00 C ATOM 0 H THR A 5 -17.313 -13.654 1.649 1.00 0.00 H new ATOM 0 HA THR A 5 -17.908 -11.318 3.313 1.00 0.00 H new ATOM 0 HB THR A 5 -18.614 -12.400 5.170 1.00 0.00 H new ATOM 0 HG1 THR A 5 -17.700 -14.625 5.550 1.00 0.00 H new ATOM 0 HG21 THR A 5 -19.940 -14.444 4.779 1.00 0.00 H new ATOM 0 HG22 THR A 5 -20.218 -13.267 3.472 1.00 0.00 H new ATOM 0 HG23 THR A 5 -19.152 -14.666 3.198 1.00 0.00 H new ATOM 90 N GLU A 6 -15.613 -12.145 4.631 1.00 0.00 N ATOM 91 CA GLU A 6 -14.186 -12.098 4.902 1.00 0.00 C ATOM 92 C GLU A 6 -13.467 -13.220 4.152 1.00 0.00 C ATOM 93 O GLU A 6 -12.370 -13.021 3.632 1.00 0.00 O ATOM 94 CB GLU A 6 -13.910 -12.177 6.404 1.00 0.00 C ATOM 95 CG GLU A 6 -14.501 -10.969 7.135 1.00 0.00 C ATOM 96 CD GLU A 6 -14.144 -11.000 8.622 1.00 0.00 C ATOM 97 OE1 GLU A 6 -12.935 -10.882 8.918 1.00 0.00 O ATOM 98 OE2 GLU A 6 -15.087 -11.141 9.430 1.00 0.00 O ATOM 0 H GLU A 6 -16.207 -12.022 5.451 1.00 0.00 H new ATOM 0 HA GLU A 6 -13.799 -11.143 4.546 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -14.336 -13.095 6.808 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -12.835 -12.221 6.578 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -14.126 -10.049 6.686 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -15.585 -10.963 7.017 1.00 0.00 H new ATOM 105 N GLU A 7 -14.113 -14.376 4.119 1.00 0.00 N ATOM 106 CA GLU A 7 -13.548 -15.531 3.442 1.00 0.00 C ATOM 107 C GLU A 7 -12.838 -15.098 2.158 1.00 0.00 C ATOM 108 O GLU A 7 -11.784 -15.632 1.817 1.00 0.00 O ATOM 109 CB GLU A 7 -14.627 -16.575 3.146 1.00 0.00 C ATOM 110 CG GLU A 7 -15.099 -17.255 4.433 1.00 0.00 C ATOM 111 CD GLU A 7 -14.954 -18.775 4.335 1.00 0.00 C ATOM 112 OE1 GLU A 7 -13.811 -19.223 4.098 1.00 0.00 O ATOM 113 OE2 GLU A 7 -15.990 -19.455 4.498 1.00 0.00 O ATOM 0 H GLU A 7 -15.023 -14.538 4.550 1.00 0.00 H new ATOM 0 HA GLU A 7 -12.814 -15.992 4.103 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -15.473 -16.099 2.651 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -14.235 -17.324 2.458 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -14.519 -16.885 5.278 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -16.141 -16.997 4.624 1.00 0.00 H new ATOM 120 N GLN A 8 -13.444 -14.134 1.481 1.00 0.00 N ATOM 121 CA GLN A 8 -12.883 -13.623 0.241 1.00 0.00 C ATOM 122 C GLN A 8 -11.747 -12.641 0.538 1.00 0.00 C ATOM 123 O GLN A 8 -10.685 -12.711 -0.078 1.00 0.00 O ATOM 124 CB GLN A 8 -13.964 -12.967 -0.621 1.00 0.00 C ATOM 125 CG GLN A 8 -14.770 -14.019 -1.384 1.00 0.00 C ATOM 126 CD GLN A 8 -13.880 -14.786 -2.365 1.00 0.00 C ATOM 127 OE1 GLN A 8 -13.253 -14.221 -3.246 1.00 0.00 O ATOM 128 NE2 GLN A 8 -13.861 -16.100 -2.165 1.00 0.00 N ATOM 0 H GLN A 8 -14.318 -13.693 1.767 1.00 0.00 H new ATOM 0 HA GLN A 8 -12.475 -14.461 -0.323 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -14.631 -12.380 0.010 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -13.502 -12.276 -1.326 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -15.225 -14.715 -0.680 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -15.583 -13.537 -1.926 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -14.410 -16.509 -1.409 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -13.298 -16.700 -2.768 1.00 0.00 H new ATOM 137 N ILE A 9 -12.011 -11.749 1.481 1.00 0.00 N ATOM 138 CA ILE A 9 -11.024 -10.754 1.867 1.00 0.00 C ATOM 139 C ILE A 9 -9.757 -11.461 2.354 1.00 0.00 C ATOM 140 O ILE A 9 -8.646 -11.020 2.064 1.00 0.00 O ATOM 141 CB ILE A 9 -11.616 -9.780 2.888 1.00 0.00 C ATOM 142 CG1 ILE A 9 -11.174 -8.345 2.596 1.00 0.00 C ATOM 143 CG2 ILE A 9 -11.271 -10.207 4.316 1.00 0.00 C ATOM 144 CD1 ILE A 9 -12.225 -7.607 1.764 1.00 0.00 C ATOM 0 H ILE A 9 -12.894 -11.694 1.989 1.00 0.00 H new ATOM 0 HA ILE A 9 -10.740 -10.146 1.008 1.00 0.00 H new ATOM 0 HB ILE A 9 -12.702 -9.807 2.797 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -11.008 -7.814 3.533 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -10.224 -8.355 2.062 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -11.703 -9.498 5.022 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -11.675 -11.201 4.506 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -10.188 -10.226 4.438 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -11.887 -6.589 1.570 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -12.371 -8.127 0.817 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -13.167 -7.578 2.311 1.00 0.00 H new ATOM 156 N ALA A 10 -9.967 -12.545 3.086 1.00 0.00 N ATOM 157 CA ALA A 10 -8.856 -13.317 3.615 1.00 0.00 C ATOM 158 C ALA A 10 -7.771 -13.442 2.544 1.00 0.00 C ATOM 159 O ALA A 10 -6.581 -13.362 2.848 1.00 0.00 O ATOM 160 CB ALA A 10 -9.362 -14.680 4.093 1.00 0.00 C ATOM 0 H ALA A 10 -10.890 -12.907 3.325 1.00 0.00 H new ATOM 0 HA ALA A 10 -8.415 -12.813 4.475 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -8.528 -15.259 4.490 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -10.109 -14.537 4.874 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -9.810 -15.216 3.256 1.00 0.00 H new ATOM 166 N GLU A 11 -8.219 -13.635 1.312 1.00 0.00 N ATOM 167 CA GLU A 11 -7.301 -13.771 0.194 1.00 0.00 C ATOM 168 C GLU A 11 -6.590 -12.443 -0.074 1.00 0.00 C ATOM 169 O GLU A 11 -5.388 -12.420 -0.332 1.00 0.00 O ATOM 170 CB GLU A 11 -8.030 -14.265 -1.057 1.00 0.00 C ATOM 171 CG GLU A 11 -8.646 -15.646 -0.823 1.00 0.00 C ATOM 172 CD GLU A 11 -9.372 -16.142 -2.076 1.00 0.00 C ATOM 173 OE1 GLU A 11 -10.318 -15.442 -2.498 1.00 0.00 O ATOM 174 OE2 GLU A 11 -8.965 -17.209 -2.582 1.00 0.00 O ATOM 0 H GLU A 11 -9.206 -13.700 1.063 1.00 0.00 H new ATOM 0 HA GLU A 11 -6.550 -14.516 0.455 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -8.811 -13.556 -1.331 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -7.333 -14.311 -1.894 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -7.865 -16.354 -0.546 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -9.345 -15.600 0.012 1.00 0.00 H new ATOM 181 N PHE A 12 -7.364 -11.370 -0.003 1.00 0.00 N ATOM 182 CA PHE A 12 -6.823 -10.041 -0.235 1.00 0.00 C ATOM 183 C PHE A 12 -5.781 -9.681 0.826 1.00 0.00 C ATOM 184 O PHE A 12 -4.830 -8.953 0.545 1.00 0.00 O ATOM 185 CB PHE A 12 -7.992 -9.059 -0.138 1.00 0.00 C ATOM 186 CG PHE A 12 -8.831 -8.964 -1.415 1.00 0.00 C ATOM 187 CD1 PHE A 12 -9.427 -10.076 -1.922 1.00 0.00 C ATOM 188 CD2 PHE A 12 -8.980 -7.766 -2.042 1.00 0.00 C ATOM 189 CE1 PHE A 12 -10.206 -9.987 -3.106 1.00 0.00 C ATOM 190 CE2 PHE A 12 -9.759 -7.677 -3.226 1.00 0.00 C ATOM 191 CZ PHE A 12 -10.355 -8.789 -3.733 1.00 0.00 C ATOM 0 H PHE A 12 -8.361 -11.394 0.212 1.00 0.00 H new ATOM 0 HA PHE A 12 -6.338 -10.001 -1.211 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -8.638 -9.359 0.688 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -7.603 -8.070 0.104 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -9.308 -11.027 -1.424 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -8.506 -6.883 -1.640 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -10.680 -10.870 -3.508 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -9.878 -6.726 -3.724 1.00 0.00 H new ATOM 0 HZ PHE A 12 -10.947 -8.721 -4.634 1.00 0.00 H new ATOM 201 N LYS A 13 -5.996 -10.206 2.023 1.00 0.00 N ATOM 202 CA LYS A 13 -5.087 -9.949 3.127 1.00 0.00 C ATOM 203 C LYS A 13 -3.646 -9.988 2.616 1.00 0.00 C ATOM 204 O LYS A 13 -2.931 -8.989 2.685 1.00 0.00 O ATOM 205 CB LYS A 13 -5.356 -10.918 4.280 1.00 0.00 C ATOM 206 CG LYS A 13 -6.709 -10.628 4.935 1.00 0.00 C ATOM 207 CD LYS A 13 -6.786 -11.250 6.331 1.00 0.00 C ATOM 208 CE LYS A 13 -7.670 -10.411 7.256 1.00 0.00 C ATOM 209 NZ LYS A 13 -8.839 -11.198 7.710 1.00 0.00 N ATOM 0 H LYS A 13 -6.787 -10.808 2.253 1.00 0.00 H new ATOM 0 HA LYS A 13 -5.255 -8.952 3.533 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -5.339 -11.943 3.910 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -4.563 -10.834 5.023 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -6.860 -9.551 5.004 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -7.511 -11.023 4.312 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -7.184 -12.262 6.261 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -5.784 -11.330 6.753 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -7.092 -10.078 8.118 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -8.007 -9.516 6.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -9.428 -10.614 8.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -9.399 -11.495 6.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -8.512 -12.039 8.227 1.00 0.00 H new ATOM 223 N GLU A 14 -3.261 -11.152 2.113 1.00 0.00 N ATOM 224 CA GLU A 14 -1.918 -11.334 1.590 1.00 0.00 C ATOM 225 C GLU A 14 -1.536 -10.160 0.687 1.00 0.00 C ATOM 226 O GLU A 14 -0.388 -9.717 0.689 1.00 0.00 O ATOM 227 CB GLU A 14 -1.796 -12.663 0.843 1.00 0.00 C ATOM 228 CG GLU A 14 -1.888 -13.846 1.809 1.00 0.00 C ATOM 229 CD GLU A 14 -0.969 -14.987 1.368 1.00 0.00 C ATOM 230 OE1 GLU A 14 -1.171 -15.474 0.235 1.00 0.00 O ATOM 231 OE2 GLU A 14 -0.084 -15.346 2.175 1.00 0.00 O ATOM 0 H GLU A 14 -3.856 -11.978 2.057 1.00 0.00 H new ATOM 0 HA GLU A 14 -1.223 -11.362 2.429 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -2.585 -12.738 0.095 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -0.846 -12.698 0.309 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -1.615 -13.522 2.813 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -2.917 -14.201 1.857 1.00 0.00 H new ATOM 238 N ALA A 15 -2.520 -9.688 -0.064 1.00 0.00 N ATOM 239 CA ALA A 15 -2.302 -8.574 -0.971 1.00 0.00 C ATOM 240 C ALA A 15 -1.769 -7.377 -0.182 1.00 0.00 C ATOM 241 O ALA A 15 -0.724 -6.822 -0.519 1.00 0.00 O ATOM 242 CB ALA A 15 -3.604 -8.253 -1.709 1.00 0.00 C ATOM 0 H ALA A 15 -3.471 -10.057 -0.063 1.00 0.00 H new ATOM 0 HA ALA A 15 -1.556 -8.832 -1.723 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -3.440 -7.417 -2.389 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -3.925 -9.126 -2.277 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.376 -7.987 -0.987 1.00 0.00 H new ATOM 248 N PHE A 16 -2.511 -7.014 0.854 1.00 0.00 N ATOM 249 CA PHE A 16 -2.126 -5.893 1.694 1.00 0.00 C ATOM 250 C PHE A 16 -0.751 -6.126 2.325 1.00 0.00 C ATOM 251 O PHE A 16 0.004 -5.180 2.544 1.00 0.00 O ATOM 252 CB PHE A 16 -3.172 -5.787 2.806 1.00 0.00 C ATOM 253 CG PHE A 16 -3.056 -4.516 3.651 1.00 0.00 C ATOM 254 CD1 PHE A 16 -3.381 -3.310 3.113 1.00 0.00 C ATOM 255 CD2 PHE A 16 -2.627 -4.593 4.939 1.00 0.00 C ATOM 256 CE1 PHE A 16 -3.273 -2.131 3.897 1.00 0.00 C ATOM 257 CE2 PHE A 16 -2.520 -3.414 5.723 1.00 0.00 C ATOM 258 CZ PHE A 16 -2.845 -2.208 5.185 1.00 0.00 C ATOM 0 H PHE A 16 -3.377 -7.477 1.131 1.00 0.00 H new ATOM 0 HA PHE A 16 -2.072 -4.983 1.097 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -4.166 -5.825 2.360 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -3.082 -6.655 3.459 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -3.721 -3.249 2.090 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -2.368 -5.551 5.366 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -3.531 -1.173 3.470 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -2.181 -3.475 6.746 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.763 -1.311 5.781 1.00 0.00 H new ATOM 268 N SER A 17 -0.469 -7.391 2.599 1.00 0.00 N ATOM 269 CA SER A 17 0.801 -7.761 3.199 1.00 0.00 C ATOM 270 C SER A 17 1.954 -7.354 2.279 1.00 0.00 C ATOM 271 O SER A 17 2.903 -6.706 2.717 1.00 0.00 O ATOM 272 CB SER A 17 0.858 -9.263 3.488 1.00 0.00 C ATOM 273 OG SER A 17 2.171 -9.790 3.316 1.00 0.00 O ATOM 0 H SER A 17 -1.098 -8.173 2.416 1.00 0.00 H new ATOM 0 HA SER A 17 0.897 -7.232 4.147 1.00 0.00 H new ATOM 0 HB2 SER A 17 0.524 -9.449 4.509 1.00 0.00 H new ATOM 0 HB3 SER A 17 0.168 -9.786 2.826 1.00 0.00 H new ATOM 0 HG SER A 17 2.166 -10.750 3.511 1.00 0.00 H new ATOM 279 N LEU A 18 1.832 -7.750 1.021 1.00 0.00 N ATOM 280 CA LEU A 18 2.852 -7.434 0.035 1.00 0.00 C ATOM 281 C LEU A 18 3.361 -6.011 0.273 1.00 0.00 C ATOM 282 O LEU A 18 4.549 -5.806 0.519 1.00 0.00 O ATOM 283 CB LEU A 18 2.320 -7.669 -1.380 1.00 0.00 C ATOM 284 CG LEU A 18 2.841 -8.918 -2.094 1.00 0.00 C ATOM 285 CD1 LEU A 18 1.891 -10.100 -1.894 1.00 0.00 C ATOM 286 CD2 LEU A 18 3.100 -8.635 -3.575 1.00 0.00 C ATOM 0 H LEU A 18 1.043 -8.287 0.661 1.00 0.00 H new ATOM 0 HA LEU A 18 3.707 -8.101 0.144 1.00 0.00 H new ATOM 0 HB2 LEU A 18 1.233 -7.729 -1.333 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.565 -6.798 -1.988 1.00 0.00 H new ATOM 0 HG LEU A 18 3.796 -9.193 -1.647 1.00 0.00 H new ATOM 0 HD11 LEU A 18 2.285 -10.975 -2.412 1.00 0.00 H new ATOM 0 HD12 LEU A 18 1.801 -10.318 -0.830 1.00 0.00 H new ATOM 0 HD13 LEU A 18 0.910 -9.851 -2.298 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.470 -9.539 -4.059 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.172 -8.321 -4.053 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.843 -7.843 -3.670 1.00 0.00 H new ATOM 298 N PHE A 19 2.438 -5.065 0.190 1.00 0.00 N ATOM 299 CA PHE A 19 2.778 -3.667 0.392 1.00 0.00 C ATOM 300 C PHE A 19 3.241 -3.418 1.829 1.00 0.00 C ATOM 301 O PHE A 19 4.256 -2.759 2.054 1.00 0.00 O ATOM 302 CB PHE A 19 1.509 -2.854 0.130 1.00 0.00 C ATOM 303 CG PHE A 19 1.223 -2.607 -1.352 1.00 0.00 C ATOM 304 CD1 PHE A 19 2.031 -1.783 -2.072 1.00 0.00 C ATOM 305 CD2 PHE A 19 0.162 -3.212 -1.951 1.00 0.00 C ATOM 306 CE1 PHE A 19 1.766 -1.553 -3.448 1.00 0.00 C ATOM 307 CE2 PHE A 19 -0.103 -2.982 -3.327 1.00 0.00 C ATOM 308 CZ PHE A 19 0.705 -2.158 -4.046 1.00 0.00 C ATOM 0 H PHE A 19 1.454 -5.239 -0.015 1.00 0.00 H new ATOM 0 HA PHE A 19 3.589 -3.381 -0.278 1.00 0.00 H new ATOM 0 HB2 PHE A 19 0.659 -3.374 0.572 1.00 0.00 H new ATOM 0 HB3 PHE A 19 1.594 -1.893 0.638 1.00 0.00 H new ATOM 0 HD1 PHE A 19 2.874 -1.304 -1.597 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -0.479 -3.867 -1.380 1.00 0.00 H new ATOM 0 HE1 PHE A 19 2.407 -0.898 -4.019 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -0.946 -3.461 -3.802 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.504 -1.984 -5.093 1.00 0.00 H new ATOM 318 N ASP A 20 2.475 -3.958 2.766 1.00 0.00 N ATOM 319 CA ASP A 20 2.794 -3.803 4.175 1.00 0.00 C ATOM 320 C ASP A 20 3.976 -4.707 4.528 1.00 0.00 C ATOM 321 O ASP A 20 3.789 -5.806 5.047 1.00 0.00 O ATOM 322 CB ASP A 20 1.610 -4.208 5.055 1.00 0.00 C ATOM 323 CG ASP A 20 1.951 -4.453 6.526 1.00 0.00 C ATOM 324 OD1 ASP A 20 2.626 -3.576 7.106 1.00 0.00 O ATOM 325 OD2 ASP A 20 1.530 -5.513 7.038 1.00 0.00 O ATOM 0 H ASP A 20 1.634 -4.503 2.577 1.00 0.00 H new ATOM 0 HA ASP A 20 3.034 -2.755 4.353 1.00 0.00 H new ATOM 0 HB2 ASP A 20 0.851 -3.427 4.999 1.00 0.00 H new ATOM 0 HB3 ASP A 20 1.165 -5.115 4.645 1.00 0.00 H new ATOM 330 N LYS A 21 5.169 -4.210 4.233 1.00 0.00 N ATOM 331 CA LYS A 21 6.382 -4.959 4.513 1.00 0.00 C ATOM 332 C LYS A 21 6.856 -4.641 5.932 1.00 0.00 C ATOM 333 O LYS A 21 8.011 -4.891 6.275 1.00 0.00 O ATOM 334 CB LYS A 21 7.437 -4.692 3.438 1.00 0.00 C ATOM 335 CG LYS A 21 7.777 -5.973 2.673 1.00 0.00 C ATOM 336 CD LYS A 21 8.689 -6.880 3.502 1.00 0.00 C ATOM 337 CE LYS A 21 8.488 -8.350 3.127 1.00 0.00 C ATOM 338 NZ LYS A 21 8.138 -9.147 4.324 1.00 0.00 N ATOM 0 H LYS A 21 5.321 -3.298 3.803 1.00 0.00 H new ATOM 0 HA LYS A 21 6.186 -6.030 4.474 1.00 0.00 H new ATOM 0 HB2 LYS A 21 7.071 -3.936 2.744 1.00 0.00 H new ATOM 0 HB3 LYS A 21 8.339 -4.290 3.900 1.00 0.00 H new ATOM 0 HG2 LYS A 21 6.860 -6.505 2.422 1.00 0.00 H new ATOM 0 HG3 LYS A 21 8.267 -5.720 1.733 1.00 0.00 H new ATOM 0 HD2 LYS A 21 9.730 -6.599 3.342 1.00 0.00 H new ATOM 0 HD3 LYS A 21 8.481 -6.740 4.563 1.00 0.00 H new ATOM 0 HE2 LYS A 21 7.698 -8.436 2.381 1.00 0.00 H new ATOM 0 HE3 LYS A 21 9.398 -8.744 2.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 8.005 -10.142 4.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 8.905 -9.079 5.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 7.258 -8.781 4.739 1.00 0.00 H new ATOM 352 N ASP A 22 5.941 -4.094 6.719 1.00 0.00 N ATOM 353 CA ASP A 22 6.252 -3.739 8.093 1.00 0.00 C ATOM 354 C ASP A 22 5.441 -4.626 9.040 1.00 0.00 C ATOM 355 O ASP A 22 5.784 -4.762 10.214 1.00 0.00 O ATOM 356 CB ASP A 22 5.886 -2.281 8.382 1.00 0.00 C ATOM 357 CG ASP A 22 4.388 -2.007 8.526 1.00 0.00 C ATOM 358 OD1 ASP A 22 3.758 -2.711 9.344 1.00 0.00 O ATOM 359 OD2 ASP A 22 3.906 -1.099 7.814 1.00 0.00 O ATOM 0 H ASP A 22 4.984 -3.888 6.431 1.00 0.00 H new ATOM 0 HA ASP A 22 7.322 -3.879 8.243 1.00 0.00 H new ATOM 0 HB2 ASP A 22 6.387 -1.971 9.299 1.00 0.00 H new ATOM 0 HB3 ASP A 22 6.279 -1.657 7.579 1.00 0.00 H new ATOM 364 N GLY A 23 4.383 -5.206 8.495 1.00 0.00 N ATOM 365 CA GLY A 23 3.521 -6.077 9.277 1.00 0.00 C ATOM 366 C GLY A 23 3.008 -5.361 10.528 1.00 0.00 C ATOM 367 O GLY A 23 3.555 -5.536 11.616 1.00 0.00 O ATOM 0 H GLY A 23 4.102 -5.090 7.521 1.00 0.00 H new ATOM 0 HA2 GLY A 23 2.677 -6.402 8.668 1.00 0.00 H new ATOM 0 HA3 GLY A 23 4.070 -6.973 9.566 1.00 0.00 H new ATOM 371 N ASP A 24 1.964 -4.569 10.332 1.00 0.00 N ATOM 372 CA ASP A 24 1.372 -3.826 11.431 1.00 0.00 C ATOM 373 C ASP A 24 -0.137 -3.710 11.208 1.00 0.00 C ATOM 374 O ASP A 24 -0.921 -3.869 12.143 1.00 0.00 O ATOM 375 CB ASP A 24 1.948 -2.410 11.513 1.00 0.00 C ATOM 376 CG ASP A 24 1.694 -1.537 10.283 1.00 0.00 C ATOM 377 OD1 ASP A 24 1.443 -2.127 9.210 1.00 0.00 O ATOM 378 OD2 ASP A 24 1.755 -0.299 10.443 1.00 0.00 O ATOM 0 H ASP A 24 1.513 -4.426 9.428 1.00 0.00 H new ATOM 0 HA ASP A 24 1.593 -4.359 12.356 1.00 0.00 H new ATOM 0 HB2 ASP A 24 1.527 -1.912 12.386 1.00 0.00 H new ATOM 0 HB3 ASP A 24 3.024 -2.480 11.674 1.00 0.00 H new ATOM 383 N GLY A 25 -0.500 -3.433 9.964 1.00 0.00 N ATOM 384 CA GLY A 25 -1.901 -3.294 9.606 1.00 0.00 C ATOM 385 C GLY A 25 -2.120 -2.071 8.713 1.00 0.00 C ATOM 386 O GLY A 25 -3.229 -1.838 8.235 1.00 0.00 O ATOM 0 H GLY A 25 0.153 -3.301 9.191 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -2.239 -4.192 9.088 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -2.504 -3.202 10.510 1.00 0.00 H new ATOM 390 N THR A 26 -1.045 -1.324 8.513 1.00 0.00 N ATOM 391 CA THR A 26 -1.105 -0.131 7.685 1.00 0.00 C ATOM 392 C THR A 26 -0.005 -0.163 6.623 1.00 0.00 C ATOM 393 O THR A 26 0.987 -0.875 6.772 1.00 0.00 O ATOM 394 CB THR A 26 -1.025 1.088 8.606 1.00 0.00 C ATOM 395 OG1 THR A 26 0.314 1.070 9.091 1.00 0.00 O ATOM 396 CG2 THR A 26 -1.880 0.928 9.865 1.00 0.00 C ATOM 0 H THR A 26 -0.126 -1.521 8.910 1.00 0.00 H new ATOM 0 HA THR A 26 -2.044 -0.079 7.134 1.00 0.00 H new ATOM 0 HB THR A 26 -1.345 1.976 8.061 1.00 0.00 H new ATOM 0 HG1 THR A 26 0.343 0.606 9.954 1.00 0.00 H new ATOM 0 HG21 THR A 26 -1.787 1.821 10.484 1.00 0.00 H new ATOM 0 HG22 THR A 26 -2.923 0.790 9.581 1.00 0.00 H new ATOM 0 HG23 THR A 26 -1.539 0.059 10.428 1.00 0.00 H new ATOM 404 N ILE A 27 -0.218 0.617 5.573 1.00 0.00 N ATOM 405 CA ILE A 27 0.744 0.687 4.486 1.00 0.00 C ATOM 406 C ILE A 27 1.158 2.144 4.270 1.00 0.00 C ATOM 407 O ILE A 27 0.467 2.894 3.582 1.00 0.00 O ATOM 408 CB ILE A 27 0.183 0.015 3.231 1.00 0.00 C ATOM 409 CG1 ILE A 27 -0.111 -1.465 3.487 1.00 0.00 C ATOM 410 CG2 ILE A 27 1.119 0.215 2.037 1.00 0.00 C ATOM 411 CD1 ILE A 27 -0.794 -2.105 2.277 1.00 0.00 C ATOM 0 H ILE A 27 -1.042 1.206 5.452 1.00 0.00 H new ATOM 0 HA ILE A 27 1.647 0.133 4.740 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.764 0.493 2.981 1.00 0.00 H new ATOM 0 HG12 ILE A 27 0.818 -1.992 3.705 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.749 -1.566 4.365 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.697 -0.272 1.158 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.235 1.281 1.840 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.093 -0.221 2.261 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.992 -3.157 2.485 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.734 -1.592 2.076 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.143 -2.024 1.407 1.00 0.00 H new ATOM 423 N THR A 28 2.284 2.501 4.870 1.00 0.00 N ATOM 424 CA THR A 28 2.798 3.855 4.752 1.00 0.00 C ATOM 425 C THR A 28 3.257 4.128 3.318 1.00 0.00 C ATOM 426 O THR A 28 2.740 3.534 2.373 1.00 0.00 O ATOM 427 CB THR A 28 3.909 4.031 5.789 1.00 0.00 C ATOM 428 OG1 THR A 28 4.371 5.362 5.581 1.00 0.00 O ATOM 429 CG2 THR A 28 5.132 3.161 5.491 1.00 0.00 C ATOM 0 H THR A 28 2.855 1.876 5.439 1.00 0.00 H new ATOM 0 HA THR A 28 2.022 4.592 4.958 1.00 0.00 H new ATOM 0 HB THR A 28 3.523 3.787 6.779 1.00 0.00 H new ATOM 0 HG1 THR A 28 5.351 5.372 5.583 1.00 0.00 H new ATOM 0 HG21 THR A 28 5.890 3.324 6.257 1.00 0.00 H new ATOM 0 HG22 THR A 28 4.840 2.111 5.488 1.00 0.00 H new ATOM 0 HG23 THR A 28 5.539 3.427 4.515 1.00 0.00 H new ATOM 437 N THR A 29 4.223 5.027 3.201 1.00 0.00 N ATOM 438 CA THR A 29 4.757 5.386 1.898 1.00 0.00 C ATOM 439 C THR A 29 5.939 4.484 1.540 1.00 0.00 C ATOM 440 O THR A 29 5.959 3.876 0.470 1.00 0.00 O ATOM 441 CB THR A 29 5.115 6.873 1.928 1.00 0.00 C ATOM 442 OG1 THR A 29 5.642 7.078 3.236 1.00 0.00 O ATOM 443 CG2 THR A 29 3.879 7.774 1.879 1.00 0.00 C ATOM 0 H THR A 29 4.650 5.518 3.987 1.00 0.00 H new ATOM 0 HA THR A 29 4.019 5.230 1.111 1.00 0.00 H new ATOM 0 HB THR A 29 5.768 7.106 1.087 1.00 0.00 H new ATOM 0 HG1 THR A 29 5.901 8.017 3.341 1.00 0.00 H new ATOM 0 HG21 THR A 29 4.189 8.819 1.903 1.00 0.00 H new ATOM 0 HG22 THR A 29 3.324 7.581 0.961 1.00 0.00 H new ATOM 0 HG23 THR A 29 3.242 7.565 2.738 1.00 0.00 H new ATOM 451 N LYS A 30 6.896 4.425 2.454 1.00 0.00 N ATOM 452 CA LYS A 30 8.079 3.607 2.247 1.00 0.00 C ATOM 453 C LYS A 30 7.653 2.170 1.943 1.00 0.00 C ATOM 454 O LYS A 30 8.379 1.431 1.279 1.00 0.00 O ATOM 455 CB LYS A 30 9.029 3.727 3.441 1.00 0.00 C ATOM 456 CG LYS A 30 10.469 3.416 3.030 1.00 0.00 C ATOM 457 CD LYS A 30 11.409 3.472 4.236 1.00 0.00 C ATOM 458 CE LYS A 30 12.242 2.193 4.341 1.00 0.00 C ATOM 459 NZ LYS A 30 11.433 1.092 4.909 1.00 0.00 N ATOM 0 H LYS A 30 6.876 4.930 3.340 1.00 0.00 H new ATOM 0 HA LYS A 30 8.642 3.963 1.384 1.00 0.00 H new ATOM 0 HB2 LYS A 30 8.974 4.734 3.854 1.00 0.00 H new ATOM 0 HB3 LYS A 30 8.716 3.042 4.229 1.00 0.00 H new ATOM 0 HG2 LYS A 30 10.515 2.427 2.574 1.00 0.00 H new ATOM 0 HG3 LYS A 30 10.798 4.130 2.275 1.00 0.00 H new ATOM 0 HD2 LYS A 30 12.070 4.334 4.147 1.00 0.00 H new ATOM 0 HD3 LYS A 30 10.828 3.608 5.148 1.00 0.00 H new ATOM 0 HE2 LYS A 30 12.610 1.910 3.355 1.00 0.00 H new ATOM 0 HE3 LYS A 30 13.115 2.371 4.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 12.014 0.232 4.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 11.102 1.358 5.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 10.613 0.911 4.295 1.00 0.00 H new ATOM 473 N GLU A 31 6.478 1.816 2.443 1.00 0.00 N ATOM 474 CA GLU A 31 5.947 0.480 2.232 1.00 0.00 C ATOM 475 C GLU A 31 5.161 0.422 0.921 1.00 0.00 C ATOM 476 O GLU A 31 4.924 -0.659 0.383 1.00 0.00 O ATOM 477 CB GLU A 31 5.077 0.044 3.413 1.00 0.00 C ATOM 478 CG GLU A 31 5.907 -0.073 4.693 1.00 0.00 C ATOM 479 CD GLU A 31 5.950 -1.520 5.188 1.00 0.00 C ATOM 480 OE1 GLU A 31 4.898 -1.983 5.679 1.00 0.00 O ATOM 481 OE2 GLU A 31 7.034 -2.130 5.064 1.00 0.00 O ATOM 0 H GLU A 31 5.879 2.431 2.994 1.00 0.00 H new ATOM 0 HA GLU A 31 6.783 -0.216 2.162 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.272 0.764 3.562 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.609 -0.915 3.190 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.921 0.282 4.507 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.482 0.567 5.466 1.00 0.00 H new ATOM 488 N LEU A 32 4.780 1.597 0.444 1.00 0.00 N ATOM 489 CA LEU A 32 4.026 1.694 -0.795 1.00 0.00 C ATOM 490 C LEU A 32 4.998 1.774 -1.974 1.00 0.00 C ATOM 491 O LEU A 32 4.680 1.331 -3.076 1.00 0.00 O ATOM 492 CB LEU A 32 3.039 2.860 -0.732 1.00 0.00 C ATOM 493 CG LEU A 32 1.852 2.788 -1.695 1.00 0.00 C ATOM 494 CD1 LEU A 32 0.706 1.973 -1.093 1.00 0.00 C ATOM 495 CD2 LEU A 32 1.401 4.188 -2.115 1.00 0.00 C ATOM 0 H LEU A 32 4.979 2.491 0.893 1.00 0.00 H new ATOM 0 HA LEU A 32 3.419 0.801 -0.942 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.653 2.928 0.285 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.585 3.783 -0.928 1.00 0.00 H new ATOM 0 HG LEU A 32 2.176 2.270 -2.598 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.125 1.938 -1.798 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.050 0.960 -0.886 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.375 2.440 -0.165 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.556 4.108 -2.799 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.101 4.754 -1.233 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.224 4.701 -2.613 1.00 0.00 H new ATOM 507 N GLY A 33 6.164 2.341 -1.701 1.00 0.00 N ATOM 508 CA GLY A 33 7.185 2.485 -2.725 1.00 0.00 C ATOM 509 C GLY A 33 8.162 1.308 -2.694 1.00 0.00 C ATOM 510 O GLY A 33 9.062 1.222 -3.528 1.00 0.00 O ATOM 0 H GLY A 33 6.424 2.706 -0.785 1.00 0.00 H new ATOM 0 HA2 GLY A 33 6.715 2.546 -3.706 1.00 0.00 H new ATOM 0 HA3 GLY A 33 7.728 3.418 -2.573 1.00 0.00 H new ATOM 514 N THR A 34 7.952 0.431 -1.724 1.00 0.00 N ATOM 515 CA THR A 34 8.803 -0.737 -1.573 1.00 0.00 C ATOM 516 C THR A 34 8.397 -1.825 -2.570 1.00 0.00 C ATOM 517 O THR A 34 9.195 -2.224 -3.416 1.00 0.00 O ATOM 518 CB THR A 34 8.728 -1.191 -0.114 1.00 0.00 C ATOM 519 OG1 THR A 34 9.854 -0.570 0.501 1.00 0.00 O ATOM 520 CG2 THR A 34 8.996 -2.689 0.047 1.00 0.00 C ATOM 0 H THR A 34 7.204 0.506 -1.034 1.00 0.00 H new ATOM 0 HA THR A 34 9.842 -0.502 -1.802 1.00 0.00 H new ATOM 0 HB THR A 34 7.744 -0.952 0.290 1.00 0.00 H new ATOM 0 HG1 THR A 34 9.547 0.127 1.117 1.00 0.00 H new ATOM 0 HG21 THR A 34 8.931 -2.959 1.101 1.00 0.00 H new ATOM 0 HG22 THR A 34 8.255 -3.254 -0.519 1.00 0.00 H new ATOM 0 HG23 THR A 34 9.993 -2.922 -0.326 1.00 0.00 H new ATOM 528 N VAL A 35 7.157 -2.272 -2.436 1.00 0.00 N ATOM 529 CA VAL A 35 6.636 -3.306 -3.314 1.00 0.00 C ATOM 530 C VAL A 35 6.984 -2.961 -4.763 1.00 0.00 C ATOM 531 O VAL A 35 7.201 -3.853 -5.583 1.00 0.00 O ATOM 532 CB VAL A 35 5.133 -3.478 -3.085 1.00 0.00 C ATOM 533 CG1 VAL A 35 4.421 -3.859 -4.385 1.00 0.00 C ATOM 534 CG2 VAL A 35 4.860 -4.508 -1.988 1.00 0.00 C ATOM 0 H VAL A 35 6.498 -1.937 -1.733 1.00 0.00 H new ATOM 0 HA VAL A 35 7.098 -4.267 -3.089 1.00 0.00 H new ATOM 0 HB VAL A 35 4.733 -2.520 -2.752 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.354 -3.975 -4.195 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.574 -3.075 -5.127 1.00 0.00 H new ATOM 0 HG13 VAL A 35 4.827 -4.798 -4.760 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.784 -4.611 -1.845 1.00 0.00 H new ATOM 0 HG22 VAL A 35 5.281 -5.470 -2.279 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.320 -4.178 -1.056 1.00 0.00 H new ATOM 544 N MET A 36 7.027 -1.665 -5.036 1.00 0.00 N ATOM 545 CA MET A 36 7.346 -1.191 -6.372 1.00 0.00 C ATOM 546 C MET A 36 8.786 -1.543 -6.750 1.00 0.00 C ATOM 547 O MET A 36 9.064 -1.886 -7.898 1.00 0.00 O ATOM 548 CB MET A 36 7.158 0.326 -6.434 1.00 0.00 C ATOM 549 CG MET A 36 5.717 0.714 -6.096 1.00 0.00 C ATOM 550 SD MET A 36 4.915 1.399 -7.537 1.00 0.00 S ATOM 551 CE MET A 36 3.244 0.836 -7.258 1.00 0.00 C ATOM 0 H MET A 36 6.846 -0.928 -4.354 1.00 0.00 H new ATOM 0 HA MET A 36 6.675 -1.678 -7.080 1.00 0.00 H new ATOM 0 HB2 MET A 36 7.842 0.810 -5.736 1.00 0.00 H new ATOM 0 HB3 MET A 36 7.411 0.687 -7.431 1.00 0.00 H new ATOM 0 HG2 MET A 36 5.169 -0.161 -5.746 1.00 0.00 H new ATOM 0 HG3 MET A 36 5.708 1.442 -5.284 1.00 0.00 H new ATOM 0 HE1 MET A 36 2.604 1.178 -8.071 1.00 0.00 H new ATOM 0 HE2 MET A 36 3.229 -0.253 -7.218 1.00 0.00 H new ATOM 0 HE3 MET A 36 2.877 1.239 -6.314 1.00 0.00 H new ATOM 561 N ARG A 37 9.664 -1.446 -5.762 1.00 0.00 N ATOM 562 CA ARG A 37 11.068 -1.750 -5.977 1.00 0.00 C ATOM 563 C ARG A 37 11.214 -2.995 -6.855 1.00 0.00 C ATOM 564 O ARG A 37 12.125 -3.074 -7.678 1.00 0.00 O ATOM 565 CB ARG A 37 11.790 -1.985 -4.648 1.00 0.00 C ATOM 566 CG ARG A 37 11.798 -0.714 -3.796 1.00 0.00 C ATOM 567 CD ARG A 37 12.762 0.325 -4.371 1.00 0.00 C ATOM 568 NE ARG A 37 12.197 1.684 -4.208 1.00 0.00 N ATOM 569 CZ ARG A 37 12.927 2.807 -4.225 1.00 0.00 C ATOM 570 NH1 ARG A 37 14.254 2.742 -4.397 1.00 0.00 N ATOM 571 NH2 ARG A 37 12.329 3.997 -4.070 1.00 0.00 N ATOM 0 H ARG A 37 9.430 -1.161 -4.811 1.00 0.00 H new ATOM 0 HA ARG A 37 11.520 -0.893 -6.477 1.00 0.00 H new ATOM 0 HB2 ARG A 37 11.300 -2.791 -4.101 1.00 0.00 H new ATOM 0 HB3 ARG A 37 12.814 -2.306 -4.838 1.00 0.00 H new ATOM 0 HG2 ARG A 37 10.792 -0.296 -3.750 1.00 0.00 H new ATOM 0 HG3 ARG A 37 12.088 -0.959 -2.774 1.00 0.00 H new ATOM 0 HD2 ARG A 37 13.725 0.259 -3.865 1.00 0.00 H new ATOM 0 HD3 ARG A 37 12.942 0.121 -5.426 1.00 0.00 H new ATOM 0 HE ARG A 37 11.189 1.770 -4.074 1.00 0.00 H new ATOM 0 HH11 ARG A 37 14.709 1.837 -4.515 1.00 0.00 H new ATOM 0 HH12 ARG A 37 14.809 3.598 -4.410 1.00 0.00 H new ATOM 0 HH21 ARG A 37 11.319 4.047 -3.939 1.00 0.00 H new ATOM 0 HH22 ARG A 37 12.884 4.852 -4.083 1.00 0.00 H new ATOM 585 N SER A 38 10.303 -3.935 -6.650 1.00 0.00 N ATOM 586 CA SER A 38 10.319 -5.171 -7.413 1.00 0.00 C ATOM 587 C SER A 38 10.126 -4.870 -8.901 1.00 0.00 C ATOM 588 O SER A 38 10.887 -5.352 -9.739 1.00 0.00 O ATOM 589 CB SER A 38 9.237 -6.135 -6.923 1.00 0.00 C ATOM 590 OG SER A 38 9.668 -7.492 -6.974 1.00 0.00 O ATOM 0 H SER A 38 9.549 -3.865 -5.966 1.00 0.00 H new ATOM 0 HA SER A 38 11.287 -5.650 -7.268 1.00 0.00 H new ATOM 0 HB2 SER A 38 8.961 -5.880 -5.900 1.00 0.00 H new ATOM 0 HB3 SER A 38 8.342 -6.016 -7.533 1.00 0.00 H new ATOM 0 HG SER A 38 8.950 -8.076 -6.652 1.00 0.00 H new ATOM 596 N LEU A 39 9.106 -4.074 -9.184 1.00 0.00 N ATOM 597 CA LEU A 39 8.804 -3.703 -10.556 1.00 0.00 C ATOM 598 C LEU A 39 9.897 -2.769 -11.080 1.00 0.00 C ATOM 599 O LEU A 39 10.068 -2.625 -12.289 1.00 0.00 O ATOM 600 CB LEU A 39 7.394 -3.116 -10.655 1.00 0.00 C ATOM 601 CG LEU A 39 6.391 -3.917 -11.487 1.00 0.00 C ATOM 602 CD1 LEU A 39 6.002 -5.216 -10.778 1.00 0.00 C ATOM 603 CD2 LEU A 39 5.168 -3.068 -11.839 1.00 0.00 C ATOM 0 H LEU A 39 8.478 -3.675 -8.486 1.00 0.00 H new ATOM 0 HA LEU A 39 8.803 -4.585 -11.197 1.00 0.00 H new ATOM 0 HB2 LEU A 39 6.995 -3.008 -9.646 1.00 0.00 H new ATOM 0 HB3 LEU A 39 7.468 -2.114 -11.077 1.00 0.00 H new ATOM 0 HG LEU A 39 6.871 -4.194 -12.425 1.00 0.00 H new ATOM 0 HD11 LEU A 39 5.288 -5.766 -11.391 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.892 -5.826 -10.622 1.00 0.00 H new ATOM 0 HD13 LEU A 39 5.549 -4.983 -9.815 1.00 0.00 H new ATOM 0 HD21 LEU A 39 4.471 -3.662 -12.431 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.678 -2.739 -10.923 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.483 -2.198 -12.415 1.00 0.00 H new ATOM 615 N GLY A 40 10.607 -2.159 -10.143 1.00 0.00 N ATOM 616 CA GLY A 40 11.679 -1.243 -10.495 1.00 0.00 C ATOM 617 C GLY A 40 11.140 0.171 -10.719 1.00 0.00 C ATOM 618 O GLY A 40 11.821 1.014 -11.301 1.00 0.00 O ATOM 0 H GLY A 40 10.461 -2.281 -9.141 1.00 0.00 H new ATOM 0 HA2 GLY A 40 12.426 -1.230 -9.701 1.00 0.00 H new ATOM 0 HA3 GLY A 40 12.179 -1.593 -11.398 1.00 0.00 H new ATOM 622 N GLN A 41 9.922 0.388 -10.245 1.00 0.00 N ATOM 623 CA GLN A 41 9.283 1.686 -10.387 1.00 0.00 C ATOM 624 C GLN A 41 9.934 2.703 -9.448 1.00 0.00 C ATOM 625 O GLN A 41 10.099 3.868 -9.807 1.00 0.00 O ATOM 626 CB GLN A 41 7.778 1.587 -10.130 1.00 0.00 C ATOM 627 CG GLN A 41 6.998 1.564 -11.446 1.00 0.00 C ATOM 628 CD GLN A 41 5.489 1.580 -11.189 1.00 0.00 C ATOM 629 OE1 GLN A 41 4.830 2.603 -11.271 1.00 0.00 O ATOM 630 NE2 GLN A 41 4.982 0.391 -10.875 1.00 0.00 N ATOM 0 H GLN A 41 9.360 -0.313 -9.762 1.00 0.00 H new ATOM 0 HA GLN A 41 9.421 2.027 -11.413 1.00 0.00 H new ATOM 0 HB2 GLN A 41 7.562 0.684 -9.559 1.00 0.00 H new ATOM 0 HB3 GLN A 41 7.452 2.433 -9.525 1.00 0.00 H new ATOM 0 HG2 GLN A 41 7.276 2.425 -12.053 1.00 0.00 H new ATOM 0 HG3 GLN A 41 7.264 0.673 -12.015 1.00 0.00 H new ATOM 0 HE21 GLN A 41 5.591 -0.426 -10.824 1.00 0.00 H new ATOM 0 HE22 GLN A 41 3.984 0.296 -10.685 1.00 0.00 H new ATOM 639 N ASN A 42 10.288 2.225 -8.263 1.00 0.00 N ATOM 640 CA ASN A 42 10.917 3.079 -7.270 1.00 0.00 C ATOM 641 C ASN A 42 10.337 4.490 -7.375 1.00 0.00 C ATOM 642 O ASN A 42 11.012 5.410 -7.835 1.00 0.00 O ATOM 643 CB ASN A 42 12.427 3.170 -7.499 1.00 0.00 C ATOM 644 CG ASN A 42 12.970 1.871 -8.097 1.00 0.00 C ATOM 645 OD1 ASN A 42 12.395 0.804 -7.955 1.00 0.00 O ATOM 646 ND2 ASN A 42 14.107 2.019 -8.772 1.00 0.00 N ATOM 0 H ASN A 42 10.151 1.258 -7.969 1.00 0.00 H new ATOM 0 HA ASN A 42 10.726 2.649 -6.287 1.00 0.00 H new ATOM 0 HB2 ASN A 42 12.648 4.002 -8.167 1.00 0.00 H new ATOM 0 HB3 ASN A 42 12.930 3.378 -6.554 1.00 0.00 H new ATOM 0 HD21 ASN A 42 14.550 1.211 -9.209 1.00 0.00 H new ATOM 0 HD22 ASN A 42 14.536 2.941 -8.853 1.00 0.00 H new ATOM 653 N PRO A 43 9.058 4.621 -6.930 1.00 0.00 N ATOM 654 CA PRO A 43 8.379 5.905 -6.970 1.00 0.00 C ATOM 655 C PRO A 43 8.895 6.832 -5.867 1.00 0.00 C ATOM 656 O PRO A 43 9.450 6.370 -4.872 1.00 0.00 O ATOM 657 CB PRO A 43 6.903 5.574 -6.826 1.00 0.00 C ATOM 658 CG PRO A 43 6.845 4.170 -6.247 1.00 0.00 C ATOM 659 CD PRO A 43 8.228 3.554 -6.379 1.00 0.00 C ATOM 0 HA PRO A 43 8.562 6.450 -7.896 1.00 0.00 H new ATOM 0 HB2 PRO A 43 6.405 6.288 -6.170 1.00 0.00 H new ATOM 0 HB3 PRO A 43 6.397 5.620 -7.790 1.00 0.00 H new ATOM 0 HG2 PRO A 43 6.539 4.201 -5.201 1.00 0.00 H new ATOM 0 HG3 PRO A 43 6.107 3.568 -6.778 1.00 0.00 H new ATOM 0 HD2 PRO A 43 8.605 3.217 -5.413 1.00 0.00 H new ATOM 0 HD3 PRO A 43 8.213 2.684 -7.036 1.00 0.00 H new ATOM 667 N THR A 44 8.692 8.124 -6.081 1.00 0.00 N ATOM 668 CA THR A 44 9.129 9.120 -5.118 1.00 0.00 C ATOM 669 C THR A 44 8.103 9.259 -3.992 1.00 0.00 C ATOM 670 O THR A 44 6.924 8.962 -4.181 1.00 0.00 O ATOM 671 CB THR A 44 9.385 10.426 -5.872 1.00 0.00 C ATOM 672 OG1 THR A 44 8.259 10.556 -6.734 1.00 0.00 O ATOM 673 CG2 THR A 44 10.577 10.327 -6.827 1.00 0.00 C ATOM 0 H THR A 44 8.231 8.504 -6.908 1.00 0.00 H new ATOM 0 HA THR A 44 10.058 8.821 -4.633 1.00 0.00 H new ATOM 0 HB THR A 44 9.559 11.230 -5.157 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.343 11.379 -7.260 1.00 0.00 H new ATOM 0 HG21 THR A 44 10.715 11.281 -7.337 1.00 0.00 H new ATOM 0 HG22 THR A 44 11.477 10.084 -6.262 1.00 0.00 H new ATOM 0 HG23 THR A 44 10.389 9.546 -7.564 1.00 0.00 H new ATOM 681 N GLU A 45 8.588 9.712 -2.845 1.00 0.00 N ATOM 682 CA GLU A 45 7.728 9.894 -1.688 1.00 0.00 C ATOM 683 C GLU A 45 6.586 10.857 -2.022 1.00 0.00 C ATOM 684 O GLU A 45 5.550 10.851 -1.360 1.00 0.00 O ATOM 685 CB GLU A 45 8.528 10.390 -0.482 1.00 0.00 C ATOM 686 CG GLU A 45 8.658 9.294 0.578 1.00 0.00 C ATOM 687 CD GLU A 45 9.715 9.663 1.620 1.00 0.00 C ATOM 688 OE1 GLU A 45 9.338 10.351 2.593 1.00 0.00 O ATOM 689 OE2 GLU A 45 10.877 9.247 1.422 1.00 0.00 O ATOM 0 H GLU A 45 9.566 9.958 -2.692 1.00 0.00 H new ATOM 0 HA GLU A 45 7.298 8.928 -1.424 1.00 0.00 H new ATOM 0 HB2 GLU A 45 9.519 10.708 -0.805 1.00 0.00 H new ATOM 0 HB3 GLU A 45 8.038 11.263 -0.050 1.00 0.00 H new ATOM 0 HG2 GLU A 45 7.697 9.141 1.068 1.00 0.00 H new ATOM 0 HG3 GLU A 45 8.926 8.351 0.101 1.00 0.00 H new ATOM 696 N ALA A 46 6.815 11.661 -3.051 1.00 0.00 N ATOM 697 CA ALA A 46 5.819 12.627 -3.481 1.00 0.00 C ATOM 698 C ALA A 46 4.698 11.900 -4.226 1.00 0.00 C ATOM 699 O ALA A 46 3.519 12.156 -3.984 1.00 0.00 O ATOM 700 CB ALA A 46 6.488 13.703 -4.339 1.00 0.00 C ATOM 0 H ALA A 46 7.675 11.663 -3.599 1.00 0.00 H new ATOM 0 HA ALA A 46 5.373 13.127 -2.621 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.741 14.428 -4.662 1.00 0.00 H new ATOM 0 HB2 ALA A 46 7.256 14.209 -3.754 1.00 0.00 H new ATOM 0 HB3 ALA A 46 6.945 13.239 -5.213 1.00 0.00 H new ATOM 706 N GLU A 47 5.105 11.009 -5.118 1.00 0.00 N ATOM 707 CA GLU A 47 4.149 10.243 -5.900 1.00 0.00 C ATOM 708 C GLU A 47 3.239 9.430 -4.978 1.00 0.00 C ATOM 709 O GLU A 47 2.023 9.615 -4.980 1.00 0.00 O ATOM 710 CB GLU A 47 4.864 9.337 -6.904 1.00 0.00 C ATOM 711 CG GLU A 47 3.863 8.461 -7.660 1.00 0.00 C ATOM 712 CD GLU A 47 3.797 8.854 -9.138 1.00 0.00 C ATOM 713 OE1 GLU A 47 4.836 8.694 -9.814 1.00 0.00 O ATOM 714 OE2 GLU A 47 2.710 9.305 -9.557 1.00 0.00 O ATOM 0 H GLU A 47 6.083 10.800 -5.317 1.00 0.00 H new ATOM 0 HA GLU A 47 3.530 10.940 -6.466 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.428 9.945 -7.611 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.584 8.706 -6.382 1.00 0.00 H new ATOM 0 HG2 GLU A 47 4.151 7.414 -7.571 1.00 0.00 H new ATOM 0 HG3 GLU A 47 2.875 8.559 -7.209 1.00 0.00 H new ATOM 721 N LEU A 48 3.862 8.547 -4.212 1.00 0.00 N ATOM 722 CA LEU A 48 3.124 7.705 -3.287 1.00 0.00 C ATOM 723 C LEU A 48 2.062 8.545 -2.575 1.00 0.00 C ATOM 724 O LEU A 48 0.870 8.256 -2.669 1.00 0.00 O ATOM 725 CB LEU A 48 4.082 6.988 -2.333 1.00 0.00 C ATOM 726 CG LEU A 48 5.157 6.119 -2.989 1.00 0.00 C ATOM 727 CD1 LEU A 48 6.400 6.024 -2.103 1.00 0.00 C ATOM 728 CD2 LEU A 48 4.602 4.740 -3.349 1.00 0.00 C ATOM 0 H LEU A 48 4.871 8.396 -4.213 1.00 0.00 H new ATOM 0 HA LEU A 48 2.599 6.917 -3.826 1.00 0.00 H new ATOM 0 HB2 LEU A 48 4.576 7.738 -1.715 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.494 6.360 -1.664 1.00 0.00 H new ATOM 0 HG LEU A 48 5.462 6.596 -3.920 1.00 0.00 H new ATOM 0 HD11 LEU A 48 7.149 5.401 -2.592 1.00 0.00 H new ATOM 0 HD12 LEU A 48 6.808 7.022 -1.941 1.00 0.00 H new ATOM 0 HD13 LEU A 48 6.130 5.582 -1.144 1.00 0.00 H new ATOM 0 HD21 LEU A 48 5.386 4.142 -3.814 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.253 4.241 -2.445 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.771 4.853 -4.045 1.00 0.00 H new ATOM 740 N GLN A 49 2.532 9.570 -1.879 1.00 0.00 N ATOM 741 CA GLN A 49 1.638 10.454 -1.152 1.00 0.00 C ATOM 742 C GLN A 49 0.392 10.753 -1.988 1.00 0.00 C ATOM 743 O GLN A 49 -0.730 10.665 -1.490 1.00 0.00 O ATOM 744 CB GLN A 49 2.352 11.747 -0.751 1.00 0.00 C ATOM 745 CG GLN A 49 2.036 12.120 0.699 1.00 0.00 C ATOM 746 CD GLN A 49 3.008 11.440 1.665 1.00 0.00 C ATOM 747 OE1 GLN A 49 4.217 11.485 1.503 1.00 0.00 O ATOM 748 NE2 GLN A 49 2.416 10.809 2.674 1.00 0.00 N ATOM 0 H GLN A 49 3.521 9.808 -1.803 1.00 0.00 H new ATOM 0 HA GLN A 49 1.326 9.951 -0.237 1.00 0.00 H new ATOM 0 HB2 GLN A 49 3.428 11.625 -0.873 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.046 12.556 -1.414 1.00 0.00 H new ATOM 0 HG2 GLN A 49 2.094 13.202 0.821 1.00 0.00 H new ATOM 0 HG3 GLN A 49 1.014 11.826 0.939 1.00 0.00 H new ATOM 0 HE21 GLN A 49 1.399 10.811 2.750 1.00 0.00 H new ATOM 0 HE22 GLN A 49 2.979 10.323 3.372 1.00 0.00 H new ATOM 757 N ASP A 50 0.630 11.100 -3.244 1.00 0.00 N ATOM 758 CA ASP A 50 -0.460 11.412 -4.154 1.00 0.00 C ATOM 759 C ASP A 50 -1.325 10.166 -4.353 1.00 0.00 C ATOM 760 O ASP A 50 -2.550 10.259 -4.411 1.00 0.00 O ATOM 761 CB ASP A 50 0.072 11.842 -5.522 1.00 0.00 C ATOM 762 CG ASP A 50 -0.200 13.302 -5.892 1.00 0.00 C ATOM 763 OD1 ASP A 50 0.637 14.148 -5.512 1.00 0.00 O ATOM 764 OD2 ASP A 50 -1.239 13.538 -6.545 1.00 0.00 O ATOM 0 H ASP A 50 1.561 11.172 -3.653 1.00 0.00 H new ATOM 0 HA ASP A 50 -1.040 12.227 -3.720 1.00 0.00 H new ATOM 0 HB2 ASP A 50 1.148 11.671 -5.547 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -0.370 11.201 -6.285 1.00 0.00 H new ATOM 769 N MET A 51 -0.653 9.028 -4.452 1.00 0.00 N ATOM 770 CA MET A 51 -1.346 7.765 -4.643 1.00 0.00 C ATOM 771 C MET A 51 -2.118 7.366 -3.384 1.00 0.00 C ATOM 772 O MET A 51 -3.325 7.139 -3.437 1.00 0.00 O ATOM 773 CB MET A 51 -0.330 6.673 -4.987 1.00 0.00 C ATOM 774 CG MET A 51 0.549 7.093 -6.167 1.00 0.00 C ATOM 775 SD MET A 51 2.013 6.075 -6.231 1.00 0.00 S ATOM 776 CE MET A 51 1.869 5.428 -7.888 1.00 0.00 C ATOM 0 H MET A 51 0.363 8.954 -4.404 1.00 0.00 H new ATOM 0 HA MET A 51 -2.058 7.883 -5.460 1.00 0.00 H new ATOM 0 HB2 MET A 51 0.295 6.467 -4.118 1.00 0.00 H new ATOM 0 HB3 MET A 51 -0.853 5.748 -5.230 1.00 0.00 H new ATOM 0 HG2 MET A 51 -0.010 7.000 -7.098 1.00 0.00 H new ATOM 0 HG3 MET A 51 0.829 8.142 -6.067 1.00 0.00 H new ATOM 0 HE1 MET A 51 2.710 4.767 -8.095 1.00 0.00 H new ATOM 0 HE2 MET A 51 0.937 4.870 -7.981 1.00 0.00 H new ATOM 0 HE3 MET A 51 1.871 6.252 -8.602 1.00 0.00 H new ATOM 786 N ILE A 52 -1.388 7.293 -2.280 1.00 0.00 N ATOM 787 CA ILE A 52 -1.989 6.926 -1.009 1.00 0.00 C ATOM 788 C ILE A 52 -3.295 7.702 -0.824 1.00 0.00 C ATOM 789 O ILE A 52 -4.312 7.130 -0.435 1.00 0.00 O ATOM 790 CB ILE A 52 -0.990 7.122 0.133 1.00 0.00 C ATOM 791 CG1 ILE A 52 -0.022 5.941 0.224 1.00 0.00 C ATOM 792 CG2 ILE A 52 -1.714 7.373 1.457 1.00 0.00 C ATOM 793 CD1 ILE A 52 0.479 5.751 1.657 1.00 0.00 C ATOM 0 H ILE A 52 -0.386 7.482 -2.240 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.244 5.866 -1.000 1.00 0.00 H new ATOM 0 HB ILE A 52 -0.395 8.010 -0.082 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.519 5.032 -0.115 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.825 6.108 -0.442 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -0.981 7.509 2.252 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.328 8.270 1.372 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.350 6.519 1.692 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.165 4.905 1.693 1.00 0.00 H new ATOM 0 HD12 ILE A 52 0.997 6.653 1.984 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -0.368 5.560 2.316 1.00 0.00 H new ATOM 805 N ASN A 53 -3.224 8.994 -1.111 1.00 0.00 N ATOM 806 CA ASN A 53 -4.388 9.854 -0.981 1.00 0.00 C ATOM 807 C ASN A 53 -5.564 9.231 -1.736 1.00 0.00 C ATOM 808 O ASN A 53 -6.712 9.349 -1.310 1.00 0.00 O ATOM 809 CB ASN A 53 -4.120 11.236 -1.580 1.00 0.00 C ATOM 810 CG ASN A 53 -3.517 12.178 -0.536 1.00 0.00 C ATOM 811 OD1 ASN A 53 -3.927 12.219 0.612 1.00 0.00 O ATOM 812 ND2 ASN A 53 -2.523 12.932 -0.997 1.00 0.00 N ATOM 0 H ASN A 53 -2.379 9.466 -1.433 1.00 0.00 H new ATOM 0 HA ASN A 53 -4.614 9.958 0.080 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -3.441 11.144 -2.427 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -5.050 11.658 -1.962 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -2.055 13.594 -0.378 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -2.228 12.848 -1.970 1.00 0.00 H new ATOM 819 N GLU A 54 -5.237 8.583 -2.844 1.00 0.00 N ATOM 820 CA GLU A 54 -6.252 7.941 -3.663 1.00 0.00 C ATOM 821 C GLU A 54 -6.943 6.826 -2.875 1.00 0.00 C ATOM 822 O GLU A 54 -8.139 6.592 -3.043 1.00 0.00 O ATOM 823 CB GLU A 54 -5.650 7.403 -4.962 1.00 0.00 C ATOM 824 CG GLU A 54 -4.891 8.500 -5.710 1.00 0.00 C ATOM 825 CD GLU A 54 -4.751 8.155 -7.195 1.00 0.00 C ATOM 826 OE1 GLU A 54 -5.756 7.676 -7.763 1.00 0.00 O ATOM 827 OE2 GLU A 54 -3.643 8.379 -7.728 1.00 0.00 O ATOM 0 H GLU A 54 -4.284 8.488 -3.194 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.000 8.687 -3.931 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -4.975 6.576 -4.739 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -6.442 7.006 -5.597 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -5.416 9.449 -5.601 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -3.903 8.630 -5.268 1.00 0.00 H new ATOM 834 N VAL A 55 -6.160 6.169 -2.032 1.00 0.00 N ATOM 835 CA VAL A 55 -6.682 5.084 -1.218 1.00 0.00 C ATOM 836 C VAL A 55 -6.659 5.501 0.254 1.00 0.00 C ATOM 837 O VAL A 55 -6.468 4.665 1.137 1.00 0.00 O ATOM 838 CB VAL A 55 -5.893 3.801 -1.488 1.00 0.00 C ATOM 839 CG1 VAL A 55 -6.611 2.922 -2.515 1.00 0.00 C ATOM 840 CG2 VAL A 55 -4.467 4.119 -1.941 1.00 0.00 C ATOM 0 H VAL A 55 -5.169 6.367 -1.895 1.00 0.00 H new ATOM 0 HA VAL A 55 -7.719 4.874 -1.481 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.831 3.243 -0.554 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.029 2.017 -2.689 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.597 2.653 -2.137 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -6.718 3.470 -3.451 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -3.928 3.190 -2.126 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.499 4.708 -2.857 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -3.956 4.686 -1.163 1.00 0.00 H new ATOM 850 N ASP A 56 -6.856 6.792 0.474 1.00 0.00 N ATOM 851 CA ASP A 56 -6.861 7.330 1.824 1.00 0.00 C ATOM 852 C ASP A 56 -7.655 8.637 1.844 1.00 0.00 C ATOM 853 O ASP A 56 -7.145 9.684 1.448 1.00 0.00 O ATOM 854 CB ASP A 56 -5.439 7.633 2.301 1.00 0.00 C ATOM 855 CG ASP A 56 -5.346 8.594 3.488 1.00 0.00 C ATOM 856 OD1 ASP A 56 -5.614 9.795 3.268 1.00 0.00 O ATOM 857 OD2 ASP A 56 -5.010 8.105 4.588 1.00 0.00 O ATOM 0 H ASP A 56 -7.014 7.482 -0.260 1.00 0.00 H new ATOM 0 HA ASP A 56 -7.311 6.587 2.482 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -4.956 6.695 2.574 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -4.874 8.052 1.468 1.00 0.00 H new ATOM 862 N ALA A 57 -8.891 8.534 2.311 1.00 0.00 N ATOM 863 CA ALA A 57 -9.761 9.695 2.389 1.00 0.00 C ATOM 864 C ALA A 57 -9.706 10.275 3.804 1.00 0.00 C ATOM 865 O ALA A 57 -10.232 11.358 4.056 1.00 0.00 O ATOM 866 CB ALA A 57 -11.180 9.299 1.976 1.00 0.00 C ATOM 0 H ALA A 57 -9.310 7.664 2.639 1.00 0.00 H new ATOM 0 HA ALA A 57 -9.426 10.472 1.701 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -11.832 10.170 2.035 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -11.169 8.922 0.953 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -11.550 8.523 2.645 1.00 0.00 H new ATOM 872 N ASP A 58 -9.064 9.528 4.690 1.00 0.00 N ATOM 873 CA ASP A 58 -8.933 9.954 6.073 1.00 0.00 C ATOM 874 C ASP A 58 -7.806 10.982 6.181 1.00 0.00 C ATOM 875 O ASP A 58 -7.892 11.923 6.968 1.00 0.00 O ATOM 876 CB ASP A 58 -8.585 8.773 6.982 1.00 0.00 C ATOM 877 CG ASP A 58 -7.145 8.757 7.498 1.00 0.00 C ATOM 878 OD1 ASP A 58 -6.787 9.719 8.211 1.00 0.00 O ATOM 879 OD2 ASP A 58 -6.434 7.783 7.168 1.00 0.00 O ATOM 0 H ASP A 58 -8.629 8.630 4.477 1.00 0.00 H new ATOM 0 HA ASP A 58 -9.885 10.382 6.386 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -9.261 8.780 7.837 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -8.770 7.847 6.437 1.00 0.00 H new ATOM 884 N GLY A 59 -6.774 10.768 5.378 1.00 0.00 N ATOM 885 CA GLY A 59 -5.630 11.665 5.374 1.00 0.00 C ATOM 886 C GLY A 59 -4.721 11.400 6.576 1.00 0.00 C ATOM 887 O GLY A 59 -4.101 12.322 7.104 1.00 0.00 O ATOM 0 H GLY A 59 -6.706 9.987 4.726 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -5.065 11.535 4.451 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -5.974 12.699 5.395 1.00 0.00 H new ATOM 891 N ASN A 60 -4.671 10.137 6.972 1.00 0.00 N ATOM 892 CA ASN A 60 -3.848 9.740 8.102 1.00 0.00 C ATOM 893 C ASN A 60 -2.382 9.690 7.667 1.00 0.00 C ATOM 894 O ASN A 60 -1.481 9.737 8.503 1.00 0.00 O ATOM 895 CB ASN A 60 -4.238 8.349 8.606 1.00 0.00 C ATOM 896 CG ASN A 60 -3.980 7.286 7.536 1.00 0.00 C ATOM 897 OD1 ASN A 60 -3.579 7.575 6.421 1.00 0.00 O ATOM 898 ND2 ASN A 60 -4.231 6.043 7.937 1.00 0.00 N ATOM 0 H ASN A 60 -5.187 9.375 6.531 1.00 0.00 H new ATOM 0 HA ASN A 60 -3.997 10.468 8.899 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -3.669 8.111 9.505 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -5.292 8.341 8.885 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -4.089 5.262 7.296 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -4.565 5.871 8.885 1.00 0.00 H new ATOM 905 N GLY A 61 -2.188 9.597 6.360 1.00 0.00 N ATOM 906 CA GLY A 61 -0.847 9.541 5.804 1.00 0.00 C ATOM 907 C GLY A 61 -0.489 8.115 5.379 1.00 0.00 C ATOM 908 O GLY A 61 0.293 7.918 4.450 1.00 0.00 O ATOM 0 H GLY A 61 -2.938 9.559 5.669 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -0.777 10.209 4.945 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -0.128 9.896 6.543 1.00 0.00 H new ATOM 912 N THR A 62 -1.077 7.157 6.080 1.00 0.00 N ATOM 913 CA THR A 62 -0.830 5.756 5.788 1.00 0.00 C ATOM 914 C THR A 62 -2.054 5.126 5.121 1.00 0.00 C ATOM 915 O THR A 62 -3.057 5.800 4.893 1.00 0.00 O ATOM 916 CB THR A 62 -0.425 5.065 7.092 1.00 0.00 C ATOM 917 OG1 THR A 62 0.073 3.797 6.673 1.00 0.00 O ATOM 918 CG2 THR A 62 -1.629 4.720 7.970 1.00 0.00 C ATOM 0 H THR A 62 -1.724 7.324 6.850 1.00 0.00 H new ATOM 0 HA THR A 62 -0.014 5.639 5.075 1.00 0.00 H new ATOM 0 HB THR A 62 0.257 5.709 7.647 1.00 0.00 H new ATOM 0 HG1 THR A 62 0.360 3.283 7.457 1.00 0.00 H new ATOM 0 HG21 THR A 62 -1.286 4.232 8.882 1.00 0.00 H new ATOM 0 HG22 THR A 62 -2.166 5.633 8.227 1.00 0.00 H new ATOM 0 HG23 THR A 62 -2.295 4.049 7.427 1.00 0.00 H new ATOM 926 N ILE A 63 -1.932 3.839 4.828 1.00 0.00 N ATOM 927 CA ILE A 63 -3.017 3.111 4.192 1.00 0.00 C ATOM 928 C ILE A 63 -3.404 1.916 5.066 1.00 0.00 C ATOM 929 O ILE A 63 -2.540 1.266 5.653 1.00 0.00 O ATOM 930 CB ILE A 63 -2.638 2.728 2.760 1.00 0.00 C ATOM 931 CG1 ILE A 63 -2.336 3.972 1.922 1.00 0.00 C ATOM 932 CG2 ILE A 63 -3.720 1.855 2.121 1.00 0.00 C ATOM 933 CD1 ILE A 63 -3.437 4.217 0.888 1.00 0.00 C ATOM 0 H ILE A 63 -1.099 3.282 5.019 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.901 3.743 4.105 1.00 0.00 H new ATOM 0 HB ILE A 63 -1.725 2.134 2.795 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -2.245 4.841 2.574 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -1.378 3.851 1.417 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -3.426 1.597 1.104 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.844 0.943 2.705 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -4.662 2.402 2.098 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.198 5.107 0.306 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.509 3.357 0.223 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -4.389 4.362 1.398 1.00 0.00 H new ATOM 945 N ASP A 64 -4.703 1.663 5.125 1.00 0.00 N ATOM 946 CA ASP A 64 -5.215 0.558 5.917 1.00 0.00 C ATOM 947 C ASP A 64 -5.746 -0.531 4.982 1.00 0.00 C ATOM 948 O ASP A 64 -5.548 -0.465 3.770 1.00 0.00 O ATOM 949 CB ASP A 64 -6.367 1.011 6.816 1.00 0.00 C ATOM 950 CG ASP A 64 -6.038 2.180 7.748 1.00 0.00 C ATOM 951 OD1 ASP A 64 -5.924 3.309 7.224 1.00 0.00 O ATOM 952 OD2 ASP A 64 -5.908 1.917 8.963 1.00 0.00 O ATOM 0 H ASP A 64 -5.416 2.205 4.637 1.00 0.00 H new ATOM 0 HA ASP A 64 -4.401 0.182 6.536 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -7.210 1.294 6.186 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -6.691 0.164 7.420 1.00 0.00 H new ATOM 957 N PHE A 65 -6.409 -1.509 5.582 1.00 0.00 N ATOM 958 CA PHE A 65 -6.970 -2.611 4.818 1.00 0.00 C ATOM 959 C PHE A 65 -8.228 -2.173 4.067 1.00 0.00 C ATOM 960 O PHE A 65 -8.397 -2.493 2.891 1.00 0.00 O ATOM 961 CB PHE A 65 -7.343 -3.705 5.820 1.00 0.00 C ATOM 962 CG PHE A 65 -7.607 -5.070 5.181 1.00 0.00 C ATOM 963 CD1 PHE A 65 -6.722 -5.585 4.286 1.00 0.00 C ATOM 964 CD2 PHE A 65 -8.727 -5.769 5.508 1.00 0.00 C ATOM 965 CE1 PHE A 65 -6.967 -6.852 3.693 1.00 0.00 C ATOM 966 CE2 PHE A 65 -8.972 -7.036 4.915 1.00 0.00 C ATOM 967 CZ PHE A 65 -8.087 -7.550 4.020 1.00 0.00 C ATOM 0 H PHE A 65 -6.570 -1.561 6.588 1.00 0.00 H new ATOM 0 HA PHE A 65 -6.245 -2.962 4.084 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -6.539 -3.806 6.549 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -8.232 -3.394 6.368 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -5.833 -5.030 4.026 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -9.430 -5.360 6.219 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -6.264 -7.261 2.983 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -9.861 -7.591 5.175 1.00 0.00 H new ATOM 0 HZ PHE A 65 -8.274 -8.513 3.569 1.00 0.00 H new ATOM 977 N PRO A 66 -9.102 -1.428 4.795 1.00 0.00 N ATOM 978 CA PRO A 66 -10.341 -0.943 4.210 1.00 0.00 C ATOM 979 C PRO A 66 -10.077 0.230 3.263 1.00 0.00 C ATOM 980 O PRO A 66 -10.963 0.639 2.514 1.00 0.00 O ATOM 981 CB PRO A 66 -11.214 -0.564 5.395 1.00 0.00 C ATOM 982 CG PRO A 66 -10.270 -0.412 6.577 1.00 0.00 C ATOM 983 CD PRO A 66 -8.936 -1.029 6.190 1.00 0.00 C ATOM 0 HA PRO A 66 -10.836 -1.692 3.591 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -11.752 0.364 5.203 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -11.963 -1.332 5.590 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -10.144 0.640 6.832 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -10.678 -0.907 7.458 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -8.121 -0.314 6.303 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -8.698 -1.885 6.821 1.00 0.00 H new ATOM 991 N GLU A 67 -8.855 0.737 3.326 1.00 0.00 N ATOM 992 CA GLU A 67 -8.464 1.854 2.484 1.00 0.00 C ATOM 993 C GLU A 67 -7.732 1.349 1.238 1.00 0.00 C ATOM 994 O GLU A 67 -7.766 1.991 0.190 1.00 0.00 O ATOM 995 CB GLU A 67 -7.600 2.850 3.260 1.00 0.00 C ATOM 996 CG GLU A 67 -8.105 3.011 4.695 1.00 0.00 C ATOM 997 CD GLU A 67 -9.034 4.222 4.817 1.00 0.00 C ATOM 998 OE1 GLU A 67 -10.235 4.048 4.517 1.00 0.00 O ATOM 999 OE2 GLU A 67 -8.521 5.293 5.208 1.00 0.00 O ATOM 0 H GLU A 67 -8.122 0.395 3.948 1.00 0.00 H new ATOM 0 HA GLU A 67 -9.366 2.376 2.166 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.565 2.508 3.271 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.611 3.816 2.756 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -8.635 2.109 5.001 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -7.258 3.128 5.371 1.00 0.00 H new ATOM 1006 N PHE A 68 -7.087 0.202 1.394 1.00 0.00 N ATOM 1007 CA PHE A 68 -6.349 -0.397 0.296 1.00 0.00 C ATOM 1008 C PHE A 68 -7.228 -1.373 -0.489 1.00 0.00 C ATOM 1009 O PHE A 68 -7.137 -1.450 -1.713 1.00 0.00 O ATOM 1010 CB PHE A 68 -5.178 -1.166 0.911 1.00 0.00 C ATOM 1011 CG PHE A 68 -4.731 -2.379 0.091 1.00 0.00 C ATOM 1012 CD1 PHE A 68 -5.459 -3.527 0.124 1.00 0.00 C ATOM 1013 CD2 PHE A 68 -3.606 -2.308 -0.669 1.00 0.00 C ATOM 1014 CE1 PHE A 68 -5.044 -4.652 -0.637 1.00 0.00 C ATOM 1015 CE2 PHE A 68 -3.191 -3.434 -1.429 1.00 0.00 C ATOM 1016 CZ PHE A 68 -3.919 -4.582 -1.397 1.00 0.00 C ATOM 0 H PHE A 68 -7.061 -0.328 2.265 1.00 0.00 H new ATOM 0 HA PHE A 68 -6.011 0.379 -0.391 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -4.333 -0.488 1.028 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -5.460 -1.499 1.910 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -6.352 -3.583 0.729 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -3.028 -1.396 -0.695 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -5.622 -5.564 -0.612 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -2.297 -3.378 -2.032 1.00 0.00 H new ATOM 0 HZ PHE A 68 -3.604 -5.438 -1.975 1.00 0.00 H new ATOM 1026 N LEU A 69 -8.061 -2.093 0.248 1.00 0.00 N ATOM 1027 CA LEU A 69 -8.957 -3.060 -0.363 1.00 0.00 C ATOM 1028 C LEU A 69 -9.483 -2.497 -1.685 1.00 0.00 C ATOM 1029 O LEU A 69 -9.574 -3.218 -2.678 1.00 0.00 O ATOM 1030 CB LEU A 69 -10.060 -3.463 0.617 1.00 0.00 C ATOM 1031 CG LEU A 69 -9.718 -4.598 1.583 1.00 0.00 C ATOM 1032 CD1 LEU A 69 -10.678 -4.612 2.775 1.00 0.00 C ATOM 1033 CD2 LEU A 69 -9.686 -5.945 0.858 1.00 0.00 C ATOM 0 H LEU A 69 -8.134 -2.026 1.263 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.422 -3.980 -0.599 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -10.337 -2.586 1.202 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -10.940 -3.754 0.043 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.717 -4.420 1.977 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -10.413 -5.429 3.446 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -10.608 -3.665 3.310 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -11.698 -4.752 2.419 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -9.440 -6.735 1.568 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -10.663 -6.144 0.417 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -8.932 -5.917 0.071 1.00 0.00 H new ATOM 1045 N THR A 70 -9.815 -1.215 -1.654 1.00 0.00 N ATOM 1046 CA THR A 70 -10.330 -0.547 -2.838 1.00 0.00 C ATOM 1047 C THR A 70 -9.350 -0.697 -4.003 1.00 0.00 C ATOM 1048 O THR A 70 -9.736 -1.118 -5.093 1.00 0.00 O ATOM 1049 CB THR A 70 -10.620 0.909 -2.470 1.00 0.00 C ATOM 1050 OG1 THR A 70 -10.910 1.531 -3.719 1.00 0.00 O ATOM 1051 CG2 THR A 70 -9.375 1.645 -1.968 1.00 0.00 C ATOM 0 H THR A 70 -9.738 -0.621 -0.828 1.00 0.00 H new ATOM 0 HA THR A 70 -11.260 -1.003 -3.177 1.00 0.00 H new ATOM 0 HB THR A 70 -11.395 0.943 -1.705 1.00 0.00 H new ATOM 0 HG1 THR A 70 -11.112 2.479 -3.573 1.00 0.00 H new ATOM 0 HG21 THR A 70 -9.636 2.674 -1.721 1.00 0.00 H new ATOM 0 HG22 THR A 70 -8.990 1.145 -1.080 1.00 0.00 H new ATOM 0 HG23 THR A 70 -8.612 1.641 -2.746 1.00 0.00 H new ATOM 1059 N MET A 71 -8.102 -0.344 -3.734 1.00 0.00 N ATOM 1060 CA MET A 71 -7.064 -0.433 -4.747 1.00 0.00 C ATOM 1061 C MET A 71 -7.210 -1.715 -5.570 1.00 0.00 C ATOM 1062 O MET A 71 -7.232 -1.669 -6.798 1.00 0.00 O ATOM 1063 CB MET A 71 -5.690 -0.412 -4.073 1.00 0.00 C ATOM 1064 CG MET A 71 -4.792 0.661 -4.693 1.00 0.00 C ATOM 1065 SD MET A 71 -3.347 -0.097 -5.417 1.00 0.00 S ATOM 1066 CE MET A 71 -2.216 1.283 -5.367 1.00 0.00 C ATOM 0 H MET A 71 -7.786 0.004 -2.829 1.00 0.00 H new ATOM 0 HA MET A 71 -7.162 0.420 -5.418 1.00 0.00 H new ATOM 0 HB2 MET A 71 -5.807 -0.221 -3.006 1.00 0.00 H new ATOM 0 HB3 MET A 71 -5.217 -1.389 -4.172 1.00 0.00 H new ATOM 0 HG2 MET A 71 -5.343 1.213 -5.454 1.00 0.00 H new ATOM 0 HG3 MET A 71 -4.492 1.381 -3.931 1.00 0.00 H new ATOM 0 HE1 MET A 71 -1.256 0.982 -5.785 1.00 0.00 H new ATOM 0 HE2 MET A 71 -2.623 2.108 -5.951 1.00 0.00 H new ATOM 0 HE3 MET A 71 -2.078 1.603 -4.334 1.00 0.00 H new ATOM 1076 N MET A 72 -7.305 -2.829 -4.858 1.00 0.00 N ATOM 1077 CA MET A 72 -7.448 -4.121 -5.507 1.00 0.00 C ATOM 1078 C MET A 72 -8.740 -4.184 -6.325 1.00 0.00 C ATOM 1079 O MET A 72 -8.741 -4.673 -7.454 1.00 0.00 O ATOM 1080 CB MET A 72 -7.459 -5.226 -4.449 1.00 0.00 C ATOM 1081 CG MET A 72 -6.133 -5.268 -3.687 1.00 0.00 C ATOM 1082 SD MET A 72 -5.288 -6.805 -4.019 1.00 0.00 S ATOM 1083 CE MET A 72 -4.007 -6.223 -5.118 1.00 0.00 C ATOM 0 H MET A 72 -7.286 -2.863 -3.839 1.00 0.00 H new ATOM 0 HA MET A 72 -6.605 -4.262 -6.183 1.00 0.00 H new ATOM 0 HB2 MET A 72 -8.279 -5.058 -3.751 1.00 0.00 H new ATOM 0 HB3 MET A 72 -7.639 -6.189 -4.926 1.00 0.00 H new ATOM 0 HG2 MET A 72 -5.506 -4.427 -3.984 1.00 0.00 H new ATOM 0 HG3 MET A 72 -6.315 -5.167 -2.617 1.00 0.00 H new ATOM 0 HE1 MET A 72 -3.382 -7.062 -5.425 1.00 0.00 H new ATOM 0 HE2 MET A 72 -4.462 -5.768 -5.998 1.00 0.00 H new ATOM 0 HE3 MET A 72 -3.394 -5.483 -4.603 1.00 0.00 H new ATOM 1093 N ALA A 73 -9.808 -3.682 -5.723 1.00 0.00 N ATOM 1094 CA ALA A 73 -11.103 -3.675 -6.382 1.00 0.00 C ATOM 1095 C ALA A 73 -10.987 -2.943 -7.720 1.00 0.00 C ATOM 1096 O ALA A 73 -11.504 -3.410 -8.734 1.00 0.00 O ATOM 1097 CB ALA A 73 -12.143 -3.037 -5.458 1.00 0.00 C ATOM 0 H ALA A 73 -9.803 -3.277 -4.787 1.00 0.00 H new ATOM 0 HA ALA A 73 -11.432 -4.693 -6.591 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -13.114 -3.032 -5.952 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -12.209 -3.611 -4.534 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -11.847 -2.013 -5.229 1.00 0.00 H new ATOM 1103 N ARG A 74 -10.304 -1.809 -7.680 1.00 0.00 N ATOM 1104 CA ARG A 74 -10.112 -1.008 -8.878 1.00 0.00 C ATOM 1105 C ARG A 74 -8.644 -1.035 -9.305 1.00 0.00 C ATOM 1106 O ARG A 74 -7.976 -0.001 -9.312 1.00 0.00 O ATOM 1107 CB ARG A 74 -10.542 0.442 -8.645 1.00 0.00 C ATOM 1108 CG ARG A 74 -12.048 0.533 -8.386 1.00 0.00 C ATOM 1109 CD ARG A 74 -12.331 1.016 -6.962 1.00 0.00 C ATOM 1110 NE ARG A 74 -11.702 2.337 -6.742 1.00 0.00 N ATOM 1111 CZ ARG A 74 -12.265 3.504 -7.086 1.00 0.00 C ATOM 1112 NH1 ARG A 74 -13.471 3.519 -7.669 1.00 0.00 N ATOM 1113 NH2 ARG A 74 -11.621 4.655 -6.848 1.00 0.00 N ATOM 0 H ARG A 74 -9.876 -1.425 -6.837 1.00 0.00 H new ATOM 0 HA ARG A 74 -10.731 -1.437 -9.666 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -9.998 0.854 -7.795 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -10.282 1.046 -9.514 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -12.503 1.216 -9.103 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -12.507 -0.444 -8.541 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -13.407 1.084 -6.799 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -11.945 0.295 -6.241 1.00 0.00 H new ATOM 0 HE ARG A 74 -10.783 2.361 -6.301 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -13.960 2.643 -7.851 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -13.900 4.407 -7.931 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -10.702 4.643 -6.405 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -12.050 5.543 -7.110 1.00 0.00 H new ATOM 1127 N LYS A 75 -8.183 -2.228 -9.651 1.00 0.00 N ATOM 1128 CA LYS A 75 -6.805 -2.403 -10.078 1.00 0.00 C ATOM 1129 C LYS A 75 -6.394 -1.220 -10.958 1.00 0.00 C ATOM 1130 O LYS A 75 -7.201 -0.708 -11.732 1.00 0.00 O ATOM 1131 CB LYS A 75 -6.622 -3.764 -10.754 1.00 0.00 C ATOM 1132 CG LYS A 75 -5.461 -4.536 -10.125 1.00 0.00 C ATOM 1133 CD LYS A 75 -4.215 -4.471 -11.010 1.00 0.00 C ATOM 1134 CE LYS A 75 -4.304 -5.480 -12.156 1.00 0.00 C ATOM 1135 NZ LYS A 75 -3.000 -5.595 -12.848 1.00 0.00 N ATOM 1136 OXT LYS A 75 -5.140 -0.821 -10.809 1.00 0.00 O ATOM 0 H LYS A 75 -8.739 -3.083 -9.644 1.00 0.00 H new ATOM 0 HA LYS A 75 -6.137 -2.408 -9.216 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -7.540 -4.345 -10.665 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -6.436 -3.623 -11.819 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -5.235 -4.123 -9.142 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -5.750 -5.576 -9.974 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -4.104 -3.465 -11.414 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -3.328 -4.674 -10.410 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -4.604 -6.454 -11.769 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -5.072 -5.168 -12.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -3.078 -6.284 -13.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -2.729 -4.668 -13.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -2.276 -5.914 -12.173 1.00 0.00 H new TER 1150 LYS A 75 HETATM 1151 CE CE A 76 3.273 -0.719 7.876 1.00 0.00 CE HETATM 1152 CE CE A 77 -5.658 5.746 6.048 1.00 0.00 CE