USER MOD reduce.3.24.130724 H: found=0, std=0, add=531, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 530 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 36 HIS : no HE2:sc= -2.24! C(o=-5.2!,f=-16!) USER MOD Set 1.2: A 60 TYR OH : rot -40:sc= -2.97! USER MOD Single : A 13 LYS NZ :NH3+ 162:sc= -0.0274 (180deg=-0.387) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot 180:sc= -0.425 USER MOD Single : A 18 SER OG : rot 38:sc= 0.794 USER MOD Single : A 20 GLN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 23 MET CE :methyl -122:sc= -2.97 (180deg=-6.2!) USER MOD Single : A 28 MET CE :methyl 178:sc= -0.0895 (180deg=-0.0995) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 ASN :FLIP amide:sc= -2.23! C(o=-3.3!,f=-2.2!) USER MOD Single : A 42 GLN : amide:sc= -5.07! C(o=-5.1!,f=-12!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -137:sc= -2.42! (180deg=-5.1!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 165:sc= 0.97 (180deg=0.0901) USER MOD Single : A 63 MET CE :methyl -141:sc= -0.395 (180deg=-2.68!) USER MOD Single : A 64 SER OG : rot -147:sc= 0.184 USER MOD Single : A 65 MET CE :methyl -124:sc= -0.0683 (180deg=-1.38) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= -0.294 X(o=-0.29,f=-0.2) USER MOD Single : A 76 HIS : no HD1:sc= -0.507 X(o=-0.51,f=-0.032) USER MOD Single : A 80 SER OG : rot -13:sc= 0.876 USER MOD Single : A 81 THR OG1 : rot -31:sc= 0.0118 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 13 7.828 3.570 -8.888 1.00 0.00 N ATOM 2 CA LYS A 13 8.208 2.431 -8.006 1.00 0.00 C ATOM 3 C LYS A 13 6.953 1.630 -7.645 1.00 0.00 C ATOM 4 O LYS A 13 5.855 2.150 -7.642 1.00 0.00 O ATOM 5 CB LYS A 13 8.864 2.974 -6.734 1.00 0.00 C ATOM 6 CG LYS A 13 9.393 1.814 -5.887 1.00 0.00 C ATOM 7 CD LYS A 13 10.049 2.368 -4.620 1.00 0.00 C ATOM 8 CE LYS A 13 10.580 1.212 -3.770 1.00 0.00 C ATOM 9 NZ LYS A 13 11.692 0.532 -4.494 1.00 0.00 N ATOM 0 HA LYS A 13 8.913 1.780 -8.524 1.00 0.00 H new ATOM 0 HB2 LYS A 13 9.680 3.648 -6.994 1.00 0.00 H new ATOM 0 HB3 LYS A 13 8.141 3.555 -6.161 1.00 0.00 H new ATOM 0 HG2 LYS A 13 8.578 1.141 -5.623 1.00 0.00 H new ATOM 0 HG3 LYS A 13 10.115 1.231 -6.459 1.00 0.00 H new ATOM 0 HD2 LYS A 13 10.864 3.042 -4.885 1.00 0.00 H new ATOM 0 HD3 LYS A 13 9.326 2.951 -4.049 1.00 0.00 H new ATOM 0 HE2 LYS A 13 10.933 1.586 -2.809 1.00 0.00 H new ATOM 0 HE3 LYS A 13 9.780 0.502 -3.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 12.247 -0.036 -3.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 11.299 -0.089 -5.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 12.307 1.246 -4.935 1.00 0.00 H new ATOM 23 N SER A 14 7.104 0.367 -7.350 1.00 0.00 N ATOM 24 CA SER A 14 5.915 -0.462 -6.999 1.00 0.00 C ATOM 25 C SER A 14 5.522 -0.209 -5.544 1.00 0.00 C ATOM 26 O SER A 14 6.270 0.370 -4.781 1.00 0.00 O ATOM 27 CB SER A 14 6.250 -1.944 -7.177 1.00 0.00 C ATOM 28 OG SER A 14 6.965 -2.126 -8.389 1.00 0.00 O ATOM 0 H SER A 14 7.997 -0.126 -7.337 1.00 0.00 H new ATOM 0 HA SER A 14 5.087 -0.192 -7.654 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.845 -2.297 -6.335 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.335 -2.536 -7.190 1.00 0.00 H new ATOM 0 HG SER A 14 7.181 -3.075 -8.502 1.00 0.00 H new ATOM 34 N ILE A 15 4.349 -0.647 -5.155 1.00 0.00 N ATOM 35 CA ILE A 15 3.888 -0.448 -3.747 1.00 0.00 C ATOM 36 C ILE A 15 3.309 -1.760 -3.211 1.00 0.00 C ATOM 37 O ILE A 15 2.450 -2.368 -3.817 1.00 0.00 O ATOM 38 CB ILE A 15 2.804 0.634 -3.717 1.00 0.00 C ATOM 39 CG1 ILE A 15 3.409 1.971 -4.158 1.00 0.00 C ATOM 40 CG2 ILE A 15 2.246 0.763 -2.294 1.00 0.00 C ATOM 41 CD1 ILE A 15 2.290 2.989 -4.388 1.00 0.00 C ATOM 0 H ILE A 15 3.688 -1.137 -5.757 1.00 0.00 H new ATOM 0 HA ILE A 15 4.730 -0.141 -3.127 1.00 0.00 H new ATOM 0 HB ILE A 15 1.996 0.360 -4.395 1.00 0.00 H new ATOM 0 HG12 ILE A 15 4.098 2.338 -3.398 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.986 1.837 -5.073 1.00 0.00 H new ATOM 0 HG21 ILE A 15 1.475 1.533 -2.274 1.00 0.00 H new ATOM 0 HG22 ILE A 15 1.816 -0.189 -1.984 1.00 0.00 H new ATOM 0 HG23 ILE A 15 3.050 1.037 -1.611 1.00 0.00 H new ATOM 0 HD11 ILE A 15 2.722 3.940 -4.702 1.00 0.00 H new ATOM 0 HD12 ILE A 15 1.618 2.622 -5.164 1.00 0.00 H new ATOM 0 HD13 ILE A 15 1.732 3.132 -3.463 1.00 0.00 H new ATOM 53 N TRP A 16 3.766 -2.188 -2.065 1.00 0.00 N ATOM 54 CA TRP A 16 3.245 -3.450 -1.458 1.00 0.00 C ATOM 55 C TRP A 16 3.231 -3.269 0.061 1.00 0.00 C ATOM 56 O TRP A 16 4.194 -2.803 0.639 1.00 0.00 O ATOM 57 CB TRP A 16 4.162 -4.624 -1.818 1.00 0.00 C ATOM 58 CG TRP A 16 4.432 -4.648 -3.291 1.00 0.00 C ATOM 59 CD1 TRP A 16 5.306 -3.838 -3.934 1.00 0.00 C ATOM 60 CD2 TRP A 16 3.862 -5.524 -4.312 1.00 0.00 C ATOM 61 NE1 TRP A 16 5.306 -4.158 -5.279 1.00 0.00 N ATOM 62 CE2 TRP A 16 4.433 -5.187 -5.562 1.00 0.00 C ATOM 63 CE3 TRP A 16 2.912 -6.565 -4.279 1.00 0.00 C ATOM 64 CZ2 TRP A 16 4.080 -5.857 -6.733 1.00 0.00 C ATOM 65 CZ3 TRP A 16 2.555 -7.241 -5.456 1.00 0.00 C ATOM 66 CH2 TRP A 16 3.138 -6.888 -6.681 1.00 0.00 C ATOM 0 H TRP A 16 4.484 -1.714 -1.518 1.00 0.00 H new ATOM 0 HA TRP A 16 2.244 -3.660 -1.834 1.00 0.00 H new ATOM 0 HB2 TRP A 16 5.101 -4.540 -1.272 1.00 0.00 H new ATOM 0 HB3 TRP A 16 3.698 -5.562 -1.512 1.00 0.00 H new ATOM 0 HD1 TRP A 16 5.905 -3.068 -3.472 1.00 0.00 H new ATOM 0 HE1 TRP A 16 5.882 -3.689 -5.978 1.00 0.00 H new ATOM 0 HE3 TRP A 16 2.455 -6.844 -3.341 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 4.532 -5.581 -7.674 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 1.827 -8.038 -5.418 1.00 0.00 H new ATOM 0 HH2 TRP A 16 2.860 -7.412 -7.583 1.00 0.00 H new ATOM 77 N CYS A 17 2.148 -3.613 0.716 1.00 0.00 N ATOM 78 CA CYS A 17 2.075 -3.437 2.204 1.00 0.00 C ATOM 79 C CYS A 17 1.448 -4.673 2.856 1.00 0.00 C ATOM 80 O CYS A 17 0.633 -5.356 2.270 1.00 0.00 O ATOM 81 CB CYS A 17 1.217 -2.212 2.519 1.00 0.00 C ATOM 82 SG CYS A 17 1.831 -0.788 1.582 1.00 0.00 S ATOM 0 H CYS A 17 1.311 -4.008 0.286 1.00 0.00 H new ATOM 0 HA CYS A 17 3.083 -3.303 2.598 1.00 0.00 H new ATOM 0 HB2 CYS A 17 0.176 -2.408 2.263 1.00 0.00 H new ATOM 0 HB3 CYS A 17 1.247 -1.998 3.587 1.00 0.00 H new ATOM 0 HG CYS A 17 1.100 0.254 1.848 1.00 0.00 H new ATOM 88 N SER A 18 1.818 -4.951 4.079 1.00 0.00 N ATOM 89 CA SER A 18 1.247 -6.126 4.797 1.00 0.00 C ATOM 90 C SER A 18 -0.200 -5.807 5.196 1.00 0.00 C ATOM 91 O SER A 18 -0.554 -4.658 5.364 1.00 0.00 O ATOM 92 CB SER A 18 2.084 -6.395 6.051 1.00 0.00 C ATOM 93 OG SER A 18 3.282 -7.067 5.680 1.00 0.00 O ATOM 0 H SER A 18 2.497 -4.409 4.614 1.00 0.00 H new ATOM 0 HA SER A 18 1.261 -7.007 4.156 1.00 0.00 H new ATOM 0 HB2 SER A 18 2.320 -5.457 6.553 1.00 0.00 H new ATOM 0 HB3 SER A 18 1.517 -7.001 6.758 1.00 0.00 H new ATOM 0 HG SER A 18 3.610 -6.705 4.830 1.00 0.00 H new ATOM 99 N PRO A 19 -1.040 -6.803 5.346 1.00 0.00 N ATOM 100 CA PRO A 19 -2.466 -6.582 5.728 1.00 0.00 C ATOM 101 C PRO A 19 -2.602 -5.728 6.996 1.00 0.00 C ATOM 102 O PRO A 19 -3.520 -4.946 7.126 1.00 0.00 O ATOM 103 CB PRO A 19 -3.031 -8.000 5.948 1.00 0.00 C ATOM 104 CG PRO A 19 -1.841 -8.913 5.997 1.00 0.00 C ATOM 105 CD PRO A 19 -0.746 -8.235 5.176 1.00 0.00 C ATOM 0 HA PRO A 19 -3.006 -6.030 4.959 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -3.603 -8.053 6.874 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -3.706 -8.281 5.140 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -1.515 -9.071 7.025 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -2.085 -9.892 5.586 1.00 0.00 H new ATOM 0 HD2 PRO A 19 0.249 -8.489 5.543 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -0.785 -8.533 4.128 1.00 0.00 H new ATOM 113 N GLN A 20 -1.696 -5.859 7.926 1.00 0.00 N ATOM 114 CA GLN A 20 -1.795 -5.040 9.161 1.00 0.00 C ATOM 115 C GLN A 20 -1.746 -3.569 8.764 1.00 0.00 C ATOM 116 O GLN A 20 -2.454 -2.740 9.300 1.00 0.00 O ATOM 117 CB GLN A 20 -0.629 -5.362 10.094 1.00 0.00 C ATOM 118 CG GLN A 20 -0.802 -6.769 10.668 1.00 0.00 C ATOM 119 CD GLN A 20 0.368 -7.084 11.602 1.00 0.00 C ATOM 120 OE1 GLN A 20 0.946 -6.111 12.252 1.00 0.00 O flip ATOM 121 NE2 GLN A 20 0.759 -8.226 11.742 1.00 0.00 N flip ATOM 0 H GLN A 20 -0.898 -6.493 7.883 1.00 0.00 H new ATOM 0 HA GLN A 20 -2.727 -5.259 9.681 1.00 0.00 H new ATOM 0 HB2 GLN A 20 0.314 -5.294 9.551 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -0.585 -4.632 10.902 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -1.744 -6.839 11.211 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -0.845 -7.500 9.861 1.00 0.00 H new ATOM 0 HE21 GLN A 20 0.307 -8.986 11.234 1.00 0.00 H new ATOM 0 HE22 GLN A 20 1.539 -8.425 12.368 1.00 0.00 H new ATOM 130 N GLU A 21 -0.928 -3.238 7.810 1.00 0.00 N ATOM 131 CA GLU A 21 -0.862 -1.824 7.375 1.00 0.00 C ATOM 132 C GLU A 21 -2.257 -1.446 6.890 1.00 0.00 C ATOM 133 O GLU A 21 -2.751 -0.367 7.157 1.00 0.00 O ATOM 134 CB GLU A 21 0.143 -1.672 6.232 1.00 0.00 C ATOM 135 CG GLU A 21 1.562 -1.939 6.747 1.00 0.00 C ATOM 136 CD GLU A 21 1.947 -0.885 7.789 1.00 0.00 C ATOM 137 OE1 GLU A 21 1.470 0.232 7.678 1.00 0.00 O ATOM 138 OE2 GLU A 21 2.711 -1.216 8.680 1.00 0.00 O ATOM 0 H GLU A 21 -0.308 -3.880 7.317 1.00 0.00 H new ATOM 0 HA GLU A 21 -0.541 -1.180 8.193 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -0.099 -2.368 5.429 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.082 -0.668 5.813 1.00 0.00 H new ATOM 0 HG2 GLU A 21 1.617 -2.935 7.187 1.00 0.00 H new ATOM 0 HG3 GLU A 21 2.269 -1.918 5.918 1.00 0.00 H new ATOM 145 N ILE A 22 -2.911 -2.346 6.208 1.00 0.00 N ATOM 146 CA ILE A 22 -4.292 -2.050 5.745 1.00 0.00 C ATOM 147 C ILE A 22 -5.199 -1.955 6.979 1.00 0.00 C ATOM 148 O ILE A 22 -6.045 -1.087 7.060 1.00 0.00 O ATOM 149 CB ILE A 22 -4.791 -3.154 4.797 1.00 0.00 C ATOM 150 CG1 ILE A 22 -3.962 -3.125 3.504 1.00 0.00 C ATOM 151 CG2 ILE A 22 -6.268 -2.914 4.459 1.00 0.00 C ATOM 152 CD1 ILE A 22 -4.341 -4.310 2.609 1.00 0.00 C ATOM 0 H ILE A 22 -2.551 -3.266 5.954 1.00 0.00 H new ATOM 0 HA ILE A 22 -4.307 -1.109 5.195 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.684 -4.124 5.281 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -4.134 -2.189 2.973 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -2.899 -3.165 3.743 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.619 -3.697 3.787 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -6.858 -2.930 5.375 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -6.377 -1.944 3.974 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -3.748 -4.280 1.695 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -4.146 -5.243 3.138 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -5.400 -4.251 2.356 1.00 0.00 H new ATOM 164 N MET A 23 -5.042 -2.835 7.950 1.00 0.00 N ATOM 165 CA MET A 23 -5.912 -2.765 9.164 1.00 0.00 C ATOM 166 C MET A 23 -5.961 -1.329 9.684 1.00 0.00 C ATOM 167 O MET A 23 -6.919 -0.923 10.311 1.00 0.00 O ATOM 168 CB MET A 23 -5.348 -3.661 10.287 1.00 0.00 C ATOM 169 CG MET A 23 -5.394 -5.149 9.904 1.00 0.00 C ATOM 170 SD MET A 23 -7.115 -5.720 9.898 1.00 0.00 S ATOM 171 CE MET A 23 -7.495 -5.470 8.145 1.00 0.00 C ATOM 0 H MET A 23 -4.355 -3.589 7.949 1.00 0.00 H new ATOM 0 HA MET A 23 -6.909 -3.105 8.885 1.00 0.00 H new ATOM 0 HB2 MET A 23 -4.319 -3.372 10.501 1.00 0.00 H new ATOM 0 HB3 MET A 23 -5.920 -3.503 11.201 1.00 0.00 H new ATOM 0 HG2 MET A 23 -4.948 -5.296 8.921 1.00 0.00 H new ATOM 0 HG3 MET A 23 -4.808 -5.736 10.611 1.00 0.00 H new ATOM 0 HE1 MET A 23 -8.346 -4.795 8.050 1.00 0.00 H new ATOM 0 HE2 MET A 23 -6.630 -5.036 7.643 1.00 0.00 H new ATOM 0 HE3 MET A 23 -7.738 -6.428 7.685 1.00 0.00 H new ATOM 181 N ALA A 24 -4.940 -0.551 9.445 1.00 0.00 N ATOM 182 CA ALA A 24 -4.958 0.852 9.949 1.00 0.00 C ATOM 183 C ALA A 24 -5.806 1.713 9.016 1.00 0.00 C ATOM 184 O ALA A 24 -6.150 2.834 9.334 1.00 0.00 O ATOM 185 CB ALA A 24 -3.529 1.401 9.984 1.00 0.00 C ATOM 0 H ALA A 24 -4.103 -0.822 8.929 1.00 0.00 H new ATOM 0 HA ALA A 24 -5.381 0.872 10.953 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.542 2.427 10.352 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.919 0.786 10.645 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.107 1.382 8.979 1.00 0.00 H new ATOM 191 N ALA A 25 -6.157 1.199 7.867 1.00 0.00 N ATOM 192 CA ALA A 25 -6.993 1.990 6.920 1.00 0.00 C ATOM 193 C ALA A 25 -8.470 1.802 7.271 1.00 0.00 C ATOM 194 O ALA A 25 -9.013 0.722 7.155 1.00 0.00 O ATOM 195 CB ALA A 25 -6.742 1.504 5.492 1.00 0.00 C ATOM 0 H ALA A 25 -5.901 0.266 7.544 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.732 3.046 6.995 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.353 2.082 4.798 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -5.689 1.634 5.243 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -7.005 0.449 5.415 1.00 0.00 H new ATOM 201 N ASP A 26 -9.125 2.846 7.695 1.00 0.00 N ATOM 202 CA ASP A 26 -10.568 2.731 8.048 1.00 0.00 C ATOM 203 C ASP A 26 -11.361 2.282 6.817 1.00 0.00 C ATOM 204 O ASP A 26 -12.341 1.569 6.919 1.00 0.00 O ATOM 205 CB ASP A 26 -11.089 4.091 8.514 1.00 0.00 C ATOM 206 CG ASP A 26 -10.945 5.106 7.379 1.00 0.00 C ATOM 207 OD1 ASP A 26 -10.106 4.890 6.519 1.00 0.00 O ATOM 208 OD2 ASP A 26 -11.674 6.084 7.389 1.00 0.00 O ATOM 0 H ASP A 26 -8.723 3.776 7.813 1.00 0.00 H new ATOM 0 HA ASP A 26 -10.687 2.000 8.847 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -12.134 4.009 8.813 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -10.532 4.426 9.389 1.00 0.00 H new ATOM 213 N GLY A 27 -10.951 2.711 5.656 1.00 0.00 N ATOM 214 CA GLY A 27 -11.678 2.338 4.409 1.00 0.00 C ATOM 215 C GLY A 27 -11.909 0.824 4.349 1.00 0.00 C ATOM 216 O GLY A 27 -12.843 0.364 3.723 1.00 0.00 O ATOM 0 H GLY A 27 -10.137 3.309 5.516 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -12.635 2.859 4.370 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -11.105 2.658 3.539 1.00 0.00 H new ATOM 220 N MET A 28 -11.064 0.046 4.983 1.00 0.00 N ATOM 221 CA MET A 28 -11.224 -1.448 4.954 1.00 0.00 C ATOM 222 C MET A 28 -11.435 -1.964 6.394 1.00 0.00 C ATOM 223 O MET A 28 -10.482 -2.145 7.127 1.00 0.00 O ATOM 224 CB MET A 28 -9.949 -2.073 4.354 1.00 0.00 C ATOM 225 CG MET A 28 -9.354 -1.121 3.311 1.00 0.00 C ATOM 226 SD MET A 28 -8.275 -2.049 2.190 1.00 0.00 S ATOM 227 CE MET A 28 -8.638 -1.107 0.686 1.00 0.00 C ATOM 0 H MET A 28 -10.266 0.381 5.523 1.00 0.00 H new ATOM 0 HA MET A 28 -12.086 -1.723 4.346 1.00 0.00 H new ATOM 0 HB2 MET A 28 -9.221 -2.267 5.142 1.00 0.00 H new ATOM 0 HB3 MET A 28 -10.184 -3.033 3.894 1.00 0.00 H new ATOM 0 HG2 MET A 28 -10.152 -0.638 2.747 1.00 0.00 H new ATOM 0 HG3 MET A 28 -8.789 -0.331 3.805 1.00 0.00 H new ATOM 0 HE1 MET A 28 -8.041 -1.495 -0.139 1.00 0.00 H new ATOM 0 HE2 MET A 28 -9.696 -1.202 0.444 1.00 0.00 H new ATOM 0 HE3 MET A 28 -8.396 -0.057 0.847 1.00 0.00 H new ATOM 237 N PRO A 29 -12.668 -2.178 6.816 1.00 0.00 N ATOM 238 CA PRO A 29 -12.976 -2.650 8.201 1.00 0.00 C ATOM 239 C PRO A 29 -12.889 -4.169 8.354 1.00 0.00 C ATOM 240 O PRO A 29 -12.943 -4.907 7.390 1.00 0.00 O ATOM 241 CB PRO A 29 -14.420 -2.202 8.387 1.00 0.00 C ATOM 242 CG PRO A 29 -15.018 -2.382 7.033 1.00 0.00 C ATOM 243 CD PRO A 29 -13.915 -2.003 6.036 1.00 0.00 C ATOM 0 HA PRO A 29 -12.268 -2.254 8.929 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -14.934 -2.805 9.136 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -14.479 -1.165 8.717 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -15.344 -3.411 6.883 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -15.895 -1.748 6.905 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -13.931 -2.646 5.156 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -14.027 -0.978 5.684 1.00 0.00 H new ATOM 251 N GLY A 30 -12.757 -4.637 9.568 1.00 0.00 N ATOM 252 CA GLY A 30 -12.667 -6.104 9.819 1.00 0.00 C ATOM 253 C GLY A 30 -11.227 -6.453 10.160 1.00 0.00 C ATOM 254 O GLY A 30 -10.311 -5.717 9.847 1.00 0.00 O ATOM 0 H GLY A 30 -12.707 -4.057 10.405 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -13.329 -6.389 10.637 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -12.992 -6.659 8.939 1.00 0.00 H new ATOM 258 N SER A 31 -11.008 -7.560 10.804 1.00 0.00 N ATOM 259 CA SER A 31 -9.618 -7.939 11.167 1.00 0.00 C ATOM 260 C SER A 31 -8.867 -8.332 9.902 1.00 0.00 C ATOM 261 O SER A 31 -9.321 -8.096 8.800 1.00 0.00 O ATOM 262 CB SER A 31 -9.649 -9.130 12.127 1.00 0.00 C ATOM 263 OG SER A 31 -10.310 -10.222 11.499 1.00 0.00 O ATOM 0 H SER A 31 -11.730 -8.219 11.095 1.00 0.00 H new ATOM 0 HA SER A 31 -9.120 -7.098 11.649 1.00 0.00 H new ATOM 0 HB2 SER A 31 -8.634 -9.415 12.404 1.00 0.00 H new ATOM 0 HB3 SER A 31 -10.166 -8.857 13.047 1.00 0.00 H new ATOM 0 HG SER A 31 -10.330 -10.988 12.110 1.00 0.00 H new ATOM 269 N VAL A 32 -7.712 -8.911 10.044 1.00 0.00 N ATOM 270 CA VAL A 32 -6.933 -9.290 8.841 1.00 0.00 C ATOM 271 C VAL A 32 -7.779 -10.214 7.959 1.00 0.00 C ATOM 272 O VAL A 32 -7.843 -10.047 6.757 1.00 0.00 O ATOM 273 CB VAL A 32 -5.655 -10.015 9.272 1.00 0.00 C ATOM 274 CG1 VAL A 32 -4.902 -10.509 8.031 1.00 0.00 C ATOM 275 CG2 VAL A 32 -4.769 -9.053 10.074 1.00 0.00 C ATOM 0 H VAL A 32 -7.276 -9.137 10.938 1.00 0.00 H new ATOM 0 HA VAL A 32 -6.668 -8.395 8.277 1.00 0.00 H new ATOM 0 HB VAL A 32 -5.912 -10.871 9.896 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -3.992 -11.025 8.339 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -5.536 -11.195 7.470 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -4.641 -9.659 7.401 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -3.859 -9.568 10.382 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -4.509 -8.195 9.454 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -5.309 -8.712 10.957 1.00 0.00 H new ATOM 285 N ALA A 33 -8.430 -11.186 8.539 1.00 0.00 N ATOM 286 CA ALA A 33 -9.271 -12.113 7.726 1.00 0.00 C ATOM 287 C ALA A 33 -10.391 -11.335 7.020 1.00 0.00 C ATOM 288 O ALA A 33 -10.739 -11.622 5.892 1.00 0.00 O ATOM 289 CB ALA A 33 -9.893 -13.169 8.642 1.00 0.00 C ATOM 0 H ALA A 33 -8.416 -11.379 9.541 1.00 0.00 H new ATOM 0 HA ALA A 33 -8.643 -12.593 6.976 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -10.508 -13.847 8.050 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -9.102 -13.734 9.136 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -10.513 -12.679 9.393 1.00 0.00 H new ATOM 295 N GLY A 34 -10.975 -10.368 7.676 1.00 0.00 N ATOM 296 CA GLY A 34 -12.084 -9.600 7.036 1.00 0.00 C ATOM 297 C GLY A 34 -11.598 -8.963 5.733 1.00 0.00 C ATOM 298 O GLY A 34 -12.255 -9.040 4.715 1.00 0.00 O ATOM 0 H GLY A 34 -10.734 -10.077 8.623 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -12.926 -10.262 6.834 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -12.442 -8.827 7.716 1.00 0.00 H new ATOM 302 N VAL A 35 -10.449 -8.347 5.745 1.00 0.00 N ATOM 303 CA VAL A 35 -9.935 -7.730 4.490 1.00 0.00 C ATOM 304 C VAL A 35 -9.750 -8.847 3.458 1.00 0.00 C ATOM 305 O VAL A 35 -10.076 -8.700 2.296 1.00 0.00 O ATOM 306 CB VAL A 35 -8.592 -7.033 4.787 1.00 0.00 C ATOM 307 CG1 VAL A 35 -7.760 -6.871 3.506 1.00 0.00 C ATOM 308 CG2 VAL A 35 -8.869 -5.647 5.374 1.00 0.00 C ATOM 0 H VAL A 35 -9.847 -8.244 6.562 1.00 0.00 H new ATOM 0 HA VAL A 35 -10.631 -6.986 4.101 1.00 0.00 H new ATOM 0 HB VAL A 35 -8.032 -7.647 5.493 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -6.818 -6.377 3.744 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -7.557 -7.852 3.078 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -8.314 -6.269 2.786 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -7.924 -5.147 5.587 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -9.439 -5.056 4.657 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -9.441 -5.750 6.296 1.00 0.00 H new ATOM 318 N HIS A 36 -9.239 -9.966 3.887 1.00 0.00 N ATOM 319 CA HIS A 36 -9.036 -11.113 2.958 1.00 0.00 C ATOM 320 C HIS A 36 -10.384 -11.537 2.364 1.00 0.00 C ATOM 321 O HIS A 36 -10.476 -11.886 1.204 1.00 0.00 O ATOM 322 CB HIS A 36 -8.423 -12.291 3.727 1.00 0.00 C ATOM 323 CG HIS A 36 -6.943 -12.084 3.903 1.00 0.00 C ATOM 324 ND1 HIS A 36 -6.416 -11.052 4.663 1.00 0.00 N ATOM 325 CD2 HIS A 36 -5.869 -12.785 3.427 1.00 0.00 C ATOM 326 CE1 HIS A 36 -5.075 -11.166 4.620 1.00 0.00 C ATOM 327 NE2 HIS A 36 -4.689 -12.206 3.880 1.00 0.00 N ATOM 0 H HIS A 36 -8.950 -10.137 4.850 1.00 0.00 H new ATOM 0 HA HIS A 36 -8.364 -10.814 2.154 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -8.902 -12.387 4.701 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -8.606 -13.221 3.188 1.00 0.00 H new ATOM 0 HD1 HIS A 36 -6.946 -10.338 5.163 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -5.929 -13.658 2.794 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -4.394 -10.496 5.124 1.00 0.00 H new ATOM 335 N TYR A 37 -11.423 -11.537 3.155 1.00 0.00 N ATOM 336 CA TYR A 37 -12.749 -11.970 2.635 1.00 0.00 C ATOM 337 C TYR A 37 -13.169 -11.067 1.474 1.00 0.00 C ATOM 338 O TYR A 37 -13.535 -11.537 0.416 1.00 0.00 O ATOM 339 CB TYR A 37 -13.784 -11.874 3.761 1.00 0.00 C ATOM 340 CG TYR A 37 -15.139 -12.309 3.253 1.00 0.00 C ATOM 341 CD1 TYR A 37 -15.488 -13.665 3.268 1.00 0.00 C ATOM 342 CD2 TYR A 37 -16.049 -11.357 2.778 1.00 0.00 C ATOM 343 CE1 TYR A 37 -16.748 -14.068 2.808 1.00 0.00 C ATOM 344 CE2 TYR A 37 -17.308 -11.760 2.317 1.00 0.00 C ATOM 345 CZ TYR A 37 -17.658 -13.115 2.332 1.00 0.00 C ATOM 346 OH TYR A 37 -18.899 -13.512 1.879 1.00 0.00 O ATOM 0 H TYR A 37 -11.410 -11.257 4.136 1.00 0.00 H new ATOM 0 HA TYR A 37 -12.684 -12.999 2.281 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -13.482 -12.502 4.599 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -13.837 -10.850 4.132 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -14.786 -14.400 3.634 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -15.780 -10.311 2.767 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -17.018 -15.114 2.820 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -18.009 -11.025 1.950 1.00 0.00 H new ATOM 0 HH TYR A 37 -19.407 -12.727 1.585 1.00 0.00 H new ATOM 356 N ARG A 38 -13.110 -9.779 1.654 1.00 0.00 N ATOM 357 CA ARG A 38 -13.494 -8.861 0.547 1.00 0.00 C ATOM 358 C ARG A 38 -12.480 -8.990 -0.598 1.00 0.00 C ATOM 359 O ARG A 38 -12.838 -9.075 -1.755 1.00 0.00 O ATOM 360 CB ARG A 38 -13.509 -7.423 1.073 1.00 0.00 C ATOM 361 CG ARG A 38 -13.941 -6.464 -0.038 1.00 0.00 C ATOM 362 CD ARG A 38 -14.028 -5.046 0.533 1.00 0.00 C ATOM 363 NE ARG A 38 -14.468 -4.087 -0.536 1.00 0.00 N ATOM 364 CZ ARG A 38 -13.780 -3.910 -1.631 1.00 0.00 C ATOM 365 NH1 ARG A 38 -12.602 -4.454 -1.770 1.00 0.00 N ATOM 366 NH2 ARG A 38 -14.253 -3.146 -2.577 1.00 0.00 N ATOM 0 H ARG A 38 -12.814 -9.323 2.517 1.00 0.00 H new ATOM 0 HA ARG A 38 -14.485 -9.121 0.175 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -14.192 -7.344 1.919 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -12.518 -7.149 1.436 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -13.227 -6.495 -0.861 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -14.907 -6.767 -0.442 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -14.731 -5.023 1.365 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -13.058 -4.744 0.927 1.00 0.00 H new ATOM 0 HE ARG A 38 -15.330 -3.558 -0.402 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -12.211 -5.023 -1.019 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -12.072 -4.310 -2.629 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -15.158 -2.689 -2.459 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -13.718 -3.005 -3.434 1.00 0.00 H new ATOM 380 N ALA A 39 -11.213 -8.978 -0.276 1.00 0.00 N ATOM 381 CA ALA A 39 -10.156 -9.066 -1.327 1.00 0.00 C ATOM 382 C ALA A 39 -10.235 -10.391 -2.094 1.00 0.00 C ATOM 383 O ALA A 39 -9.864 -10.458 -3.250 1.00 0.00 O ATOM 384 CB ALA A 39 -8.781 -8.954 -0.665 1.00 0.00 C ATOM 0 H ALA A 39 -10.862 -8.910 0.679 1.00 0.00 H new ATOM 0 HA ALA A 39 -10.311 -8.252 -2.035 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -8.004 -9.018 -1.427 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -8.704 -7.998 -0.147 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -8.655 -9.766 0.051 1.00 0.00 H new ATOM 390 N ASN A 40 -10.683 -11.451 -1.478 1.00 0.00 N ATOM 391 CA ASN A 40 -10.740 -12.755 -2.201 1.00 0.00 C ATOM 392 C ASN A 40 -11.737 -12.665 -3.357 1.00 0.00 C ATOM 393 O ASN A 40 -11.505 -13.185 -4.430 1.00 0.00 O ATOM 394 CB ASN A 40 -11.195 -13.854 -1.237 1.00 0.00 C ATOM 395 CG ASN A 40 -10.101 -14.130 -0.201 1.00 0.00 C ATOM 396 OD1 ASN A 40 -8.850 -13.917 -0.505 1.00 0.00 O flip ATOM 397 ND2 ASN A 40 -10.391 -14.548 0.903 1.00 0.00 N flip ATOM 0 H ASN A 40 -11.010 -11.472 -0.512 1.00 0.00 H new ATOM 0 HA ASN A 40 -9.749 -12.989 -2.591 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -12.114 -13.551 -0.735 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -11.420 -14.765 -1.792 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -11.368 -14.716 1.144 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -9.658 -14.731 1.588 1.00 0.00 H new ATOM 404 N VAL A 41 -12.848 -12.015 -3.150 1.00 0.00 N ATOM 405 CA VAL A 41 -13.853 -11.907 -4.242 1.00 0.00 C ATOM 406 C VAL A 41 -13.272 -11.055 -5.375 1.00 0.00 C ATOM 407 O VAL A 41 -13.425 -11.365 -6.539 1.00 0.00 O ATOM 408 CB VAL A 41 -15.121 -11.243 -3.696 1.00 0.00 C ATOM 409 CG1 VAL A 41 -16.088 -10.948 -4.845 1.00 0.00 C ATOM 410 CG2 VAL A 41 -15.791 -12.179 -2.687 1.00 0.00 C ATOM 0 H VAL A 41 -13.102 -11.556 -2.275 1.00 0.00 H new ATOM 0 HA VAL A 41 -14.098 -12.899 -4.621 1.00 0.00 H new ATOM 0 HB VAL A 41 -14.855 -10.307 -3.204 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -16.988 -10.476 -4.451 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -15.610 -10.278 -5.560 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -16.356 -11.880 -5.344 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -16.694 -11.708 -2.297 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -16.054 -13.116 -3.178 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -15.103 -12.381 -1.866 1.00 0.00 H new ATOM 420 N GLN A 42 -12.593 -9.990 -5.039 1.00 0.00 N ATOM 421 CA GLN A 42 -11.991 -9.125 -6.092 1.00 0.00 C ATOM 422 C GLN A 42 -10.654 -9.729 -6.531 1.00 0.00 C ATOM 423 O GLN A 42 -10.044 -10.495 -5.813 1.00 0.00 O ATOM 424 CB GLN A 42 -11.764 -7.721 -5.533 1.00 0.00 C ATOM 425 CG GLN A 42 -13.110 -7.115 -5.132 1.00 0.00 C ATOM 426 CD GLN A 42 -12.893 -5.710 -4.572 1.00 0.00 C ATOM 427 OE1 GLN A 42 -11.935 -5.465 -3.866 1.00 0.00 O ATOM 428 NE2 GLN A 42 -13.750 -4.769 -4.859 1.00 0.00 N ATOM 0 H GLN A 42 -12.430 -9.683 -4.080 1.00 0.00 H new ATOM 0 HA GLN A 42 -12.663 -9.064 -6.948 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -11.099 -7.763 -4.670 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -11.277 -7.094 -6.280 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -13.774 -7.075 -5.996 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -13.596 -7.744 -4.386 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -14.554 -4.975 -5.452 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -13.616 -3.827 -4.491 1.00 0.00 H new ATOM 437 N GLY A 43 -10.195 -9.397 -7.708 1.00 0.00 N ATOM 438 CA GLY A 43 -8.901 -9.959 -8.194 1.00 0.00 C ATOM 439 C GLY A 43 -7.736 -9.094 -7.705 1.00 0.00 C ATOM 440 O GLY A 43 -6.948 -8.602 -8.487 1.00 0.00 O ATOM 0 H GLY A 43 -10.661 -8.760 -8.355 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.781 -10.981 -7.835 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.900 -10.002 -9.283 1.00 0.00 H new ATOM 444 N TRP A 44 -7.611 -8.912 -6.418 1.00 0.00 N ATOM 445 CA TRP A 44 -6.485 -8.086 -5.889 1.00 0.00 C ATOM 446 C TRP A 44 -5.161 -8.773 -6.235 1.00 0.00 C ATOM 447 O TRP A 44 -5.039 -9.979 -6.144 1.00 0.00 O ATOM 448 CB TRP A 44 -6.594 -7.964 -4.360 1.00 0.00 C ATOM 449 CG TRP A 44 -7.650 -6.969 -3.984 1.00 0.00 C ATOM 450 CD1 TRP A 44 -8.746 -6.675 -4.723 1.00 0.00 C ATOM 451 CD2 TRP A 44 -7.729 -6.138 -2.785 1.00 0.00 C ATOM 452 NE1 TRP A 44 -9.491 -5.721 -4.055 1.00 0.00 N ATOM 453 CE2 TRP A 44 -8.908 -5.357 -2.858 1.00 0.00 C ATOM 454 CE3 TRP A 44 -6.903 -5.983 -1.652 1.00 0.00 C ATOM 455 CZ2 TRP A 44 -9.254 -4.460 -1.846 1.00 0.00 C ATOM 456 CZ3 TRP A 44 -7.250 -5.085 -0.636 1.00 0.00 C ATOM 457 CH2 TRP A 44 -8.423 -4.324 -0.732 1.00 0.00 C ATOM 0 H TRP A 44 -8.237 -9.298 -5.711 1.00 0.00 H new ATOM 0 HA TRP A 44 -6.528 -7.092 -6.335 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -6.832 -8.936 -3.928 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -5.634 -7.658 -3.945 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -8.997 -7.114 -5.677 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -10.367 -5.333 -4.405 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -5.995 -6.562 -1.568 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -10.158 -3.875 -1.924 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -6.610 -4.978 0.227 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -8.684 -3.633 0.055 1.00 0.00 H new ATOM 468 N THR A 45 -4.158 -8.024 -6.603 1.00 0.00 N ATOM 469 CA THR A 45 -2.846 -8.655 -6.915 1.00 0.00 C ATOM 470 C THR A 45 -2.194 -9.033 -5.580 1.00 0.00 C ATOM 471 O THR A 45 -2.030 -8.203 -4.702 1.00 0.00 O ATOM 472 CB THR A 45 -1.977 -7.663 -7.711 1.00 0.00 C ATOM 473 OG1 THR A 45 -2.254 -7.812 -9.097 1.00 0.00 O ATOM 474 CG2 THR A 45 -0.479 -7.911 -7.465 1.00 0.00 C ATOM 0 H THR A 45 -4.190 -7.009 -6.701 1.00 0.00 H new ATOM 0 HA THR A 45 -2.964 -9.548 -7.528 1.00 0.00 H new ATOM 0 HB THR A 45 -2.216 -6.652 -7.379 1.00 0.00 H new ATOM 0 HG1 THR A 45 -1.705 -7.182 -9.610 1.00 0.00 H new ATOM 0 HG21 THR A 45 0.108 -7.195 -8.041 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.260 -7.790 -6.404 1.00 0.00 H new ATOM 0 HG23 THR A 45 -0.222 -8.924 -7.776 1.00 0.00 H new ATOM 482 N LYS A 46 -1.853 -10.289 -5.412 1.00 0.00 N ATOM 483 CA LYS A 46 -1.250 -10.755 -4.123 1.00 0.00 C ATOM 484 C LYS A 46 0.050 -11.513 -4.386 1.00 0.00 C ATOM 485 O LYS A 46 0.291 -12.007 -5.471 1.00 0.00 O ATOM 486 CB LYS A 46 -2.244 -11.702 -3.443 1.00 0.00 C ATOM 487 CG LYS A 46 -3.529 -10.944 -3.103 1.00 0.00 C ATOM 488 CD LYS A 46 -4.659 -11.940 -2.818 1.00 0.00 C ATOM 489 CE LYS A 46 -4.302 -12.804 -1.606 1.00 0.00 C ATOM 490 NZ LYS A 46 -3.360 -13.880 -2.024 1.00 0.00 N ATOM 0 H LYS A 46 -1.968 -11.016 -6.118 1.00 0.00 H new ATOM 0 HA LYS A 46 -1.035 -9.893 -3.491 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.469 -12.542 -4.100 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -1.804 -12.116 -2.536 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -3.367 -10.306 -2.234 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -3.807 -10.291 -3.931 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -5.589 -11.403 -2.631 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -4.826 -12.573 -3.690 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -3.847 -12.189 -0.829 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -5.205 -13.241 -1.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -3.641 -14.778 -1.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -3.385 -13.981 -3.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -2.396 -13.633 -1.723 1.00 0.00 H new ATOM 504 N ARG A 47 0.885 -11.618 -3.385 1.00 0.00 N ATOM 505 CA ARG A 47 2.175 -12.353 -3.538 1.00 0.00 C ATOM 506 C ARG A 47 2.509 -13.043 -2.213 1.00 0.00 C ATOM 507 O ARG A 47 2.019 -12.666 -1.167 1.00 0.00 O ATOM 508 CB ARG A 47 3.290 -11.368 -3.907 1.00 0.00 C ATOM 509 CG ARG A 47 3.410 -10.290 -2.827 1.00 0.00 C ATOM 510 CD ARG A 47 4.500 -9.294 -3.223 1.00 0.00 C ATOM 511 NE ARG A 47 5.832 -9.952 -3.120 1.00 0.00 N ATOM 512 CZ ARG A 47 6.880 -9.393 -3.659 1.00 0.00 C ATOM 513 NH1 ARG A 47 6.758 -8.259 -4.293 1.00 0.00 N ATOM 514 NH2 ARG A 47 8.048 -9.967 -3.566 1.00 0.00 N ATOM 0 H ARG A 47 0.726 -11.222 -2.459 1.00 0.00 H new ATOM 0 HA ARG A 47 2.087 -13.097 -4.329 1.00 0.00 H new ATOM 0 HB2 ARG A 47 4.237 -11.899 -4.011 1.00 0.00 H new ATOM 0 HB3 ARG A 47 3.076 -10.907 -4.871 1.00 0.00 H new ATOM 0 HG2 ARG A 47 2.458 -9.774 -2.705 1.00 0.00 H new ATOM 0 HG3 ARG A 47 3.651 -10.747 -1.867 1.00 0.00 H new ATOM 0 HD2 ARG A 47 4.334 -8.942 -4.241 1.00 0.00 H new ATOM 0 HD3 ARG A 47 4.463 -8.420 -2.573 1.00 0.00 H new ATOM 0 HE ARG A 47 5.925 -10.840 -2.628 1.00 0.00 H new ATOM 0 HH11 ARG A 47 5.844 -7.811 -4.366 1.00 0.00 H new ATOM 0 HH12 ARG A 47 7.576 -7.820 -4.715 1.00 0.00 H new ATOM 0 HH21 ARG A 47 8.142 -10.854 -3.071 1.00 0.00 H new ATOM 0 HH22 ARG A 47 8.867 -9.529 -3.988 1.00 0.00 H new ATOM 528 N LYS A 48 3.327 -14.059 -2.247 1.00 0.00 N ATOM 529 CA LYS A 48 3.675 -14.782 -0.990 1.00 0.00 C ATOM 530 C LYS A 48 4.778 -14.036 -0.235 1.00 0.00 C ATOM 531 O LYS A 48 5.507 -13.244 -0.798 1.00 0.00 O ATOM 532 CB LYS A 48 4.169 -16.187 -1.336 1.00 0.00 C ATOM 533 CG LYS A 48 3.007 -17.018 -1.877 1.00 0.00 C ATOM 534 CD LYS A 48 3.502 -18.423 -2.224 1.00 0.00 C ATOM 535 CE LYS A 48 2.338 -19.255 -2.765 1.00 0.00 C ATOM 536 NZ LYS A 48 2.781 -20.664 -2.955 1.00 0.00 N ATOM 0 H LYS A 48 3.770 -14.420 -3.092 1.00 0.00 H new ATOM 0 HA LYS A 48 2.788 -14.840 -0.359 1.00 0.00 H new ATOM 0 HB2 LYS A 48 4.966 -16.131 -2.077 1.00 0.00 H new ATOM 0 HB3 LYS A 48 4.590 -16.664 -0.451 1.00 0.00 H new ATOM 0 HG2 LYS A 48 2.210 -17.075 -1.135 1.00 0.00 H new ATOM 0 HG3 LYS A 48 2.586 -16.541 -2.762 1.00 0.00 H new ATOM 0 HD2 LYS A 48 4.298 -18.367 -2.966 1.00 0.00 H new ATOM 0 HD3 LYS A 48 3.924 -18.900 -1.339 1.00 0.00 H new ATOM 0 HE2 LYS A 48 1.497 -19.217 -2.072 1.00 0.00 H new ATOM 0 HE3 LYS A 48 1.990 -18.841 -3.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 1.990 -21.230 -3.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 3.570 -20.691 -3.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 3.093 -21.056 -2.043 1.00 0.00 H new ATOM 550 N LYS A 49 4.914 -14.299 1.041 1.00 0.00 N ATOM 551 CA LYS A 49 5.978 -13.623 1.840 1.00 0.00 C ATOM 552 C LYS A 49 6.413 -14.540 2.990 1.00 0.00 C ATOM 553 O LYS A 49 5.624 -14.887 3.854 1.00 0.00 O ATOM 554 CB LYS A 49 5.444 -12.305 2.410 1.00 0.00 C ATOM 555 CG LYS A 49 6.603 -11.506 3.015 1.00 0.00 C ATOM 556 CD LYS A 49 6.076 -10.188 3.586 1.00 0.00 C ATOM 557 CE LYS A 49 7.239 -9.387 4.178 1.00 0.00 C ATOM 558 NZ LYS A 49 6.794 -7.989 4.445 1.00 0.00 N ATOM 0 H LYS A 49 4.332 -14.954 1.563 1.00 0.00 H new ATOM 0 HA LYS A 49 6.832 -13.414 1.196 1.00 0.00 H new ATOM 0 HB2 LYS A 49 4.960 -11.726 1.624 1.00 0.00 H new ATOM 0 HB3 LYS A 49 4.689 -12.504 3.170 1.00 0.00 H new ATOM 0 HG2 LYS A 49 7.087 -12.086 3.801 1.00 0.00 H new ATOM 0 HG3 LYS A 49 7.358 -11.308 2.254 1.00 0.00 H new ATOM 0 HD2 LYS A 49 5.584 -9.611 2.803 1.00 0.00 H new ATOM 0 HD3 LYS A 49 5.328 -10.385 4.354 1.00 0.00 H new ATOM 0 HE2 LYS A 49 7.583 -9.853 5.101 1.00 0.00 H new ATOM 0 HE3 LYS A 49 8.083 -9.386 3.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 7.583 -7.444 4.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 6.486 -7.547 3.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 6.002 -8.000 5.119 1.00 0.00 H new ATOM 572 N GLU A 50 7.675 -14.922 2.989 1.00 0.00 N ATOM 573 CA GLU A 50 8.247 -15.814 4.055 1.00 0.00 C ATOM 574 C GLU A 50 7.169 -16.725 4.657 1.00 0.00 C ATOM 575 O GLU A 50 6.277 -17.184 3.970 1.00 0.00 O ATOM 576 CB GLU A 50 8.867 -14.932 5.145 1.00 0.00 C ATOM 577 CG GLU A 50 10.018 -14.122 4.542 1.00 0.00 C ATOM 578 CD GLU A 50 10.558 -13.142 5.585 1.00 0.00 C ATOM 579 OE1 GLU A 50 11.409 -13.543 6.362 1.00 0.00 O ATOM 580 OE2 GLU A 50 10.113 -12.007 5.588 1.00 0.00 O ATOM 0 H GLU A 50 8.348 -14.644 2.274 1.00 0.00 H new ATOM 0 HA GLU A 50 9.007 -16.458 3.613 1.00 0.00 H new ATOM 0 HB2 GLU A 50 8.114 -14.263 5.560 1.00 0.00 H new ATOM 0 HB3 GLU A 50 9.232 -15.550 5.966 1.00 0.00 H new ATOM 0 HG2 GLU A 50 10.812 -14.791 4.211 1.00 0.00 H new ATOM 0 HG3 GLU A 50 9.672 -13.579 3.663 1.00 0.00 H new ATOM 587 N GLY A 51 7.240 -16.989 5.933 1.00 0.00 N ATOM 588 CA GLY A 51 6.220 -17.866 6.578 1.00 0.00 C ATOM 589 C GLY A 51 6.188 -17.589 8.081 1.00 0.00 C ATOM 590 O GLY A 51 7.160 -17.798 8.779 1.00 0.00 O ATOM 0 H GLY A 51 7.963 -16.634 6.559 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.238 -17.681 6.142 1.00 0.00 H new ATOM 0 HA3 GLY A 51 6.458 -18.914 6.395 1.00 0.00 H new ATOM 594 N VAL A 52 5.075 -17.116 8.586 1.00 0.00 N ATOM 595 CA VAL A 52 4.968 -16.816 10.049 1.00 0.00 C ATOM 596 C VAL A 52 4.150 -17.911 10.740 1.00 0.00 C ATOM 597 O VAL A 52 2.955 -18.012 10.544 1.00 0.00 O ATOM 598 CB VAL A 52 4.260 -15.471 10.230 1.00 0.00 C ATOM 599 CG1 VAL A 52 4.298 -15.060 11.704 1.00 0.00 C ATOM 600 CG2 VAL A 52 4.968 -14.408 9.388 1.00 0.00 C ATOM 0 H VAL A 52 4.232 -16.924 8.045 1.00 0.00 H new ATOM 0 HA VAL A 52 5.965 -16.777 10.488 1.00 0.00 H new ATOM 0 HB VAL A 52 3.223 -15.563 9.909 1.00 0.00 H new ATOM 0 HG11 VAL A 52 3.793 -14.102 11.828 1.00 0.00 H new ATOM 0 HG12 VAL A 52 3.794 -15.816 12.306 1.00 0.00 H new ATOM 0 HG13 VAL A 52 5.334 -14.968 12.030 1.00 0.00 H new ATOM 0 HG21 VAL A 52 4.466 -13.449 9.515 1.00 0.00 H new ATOM 0 HG22 VAL A 52 6.005 -14.320 9.711 1.00 0.00 H new ATOM 0 HG23 VAL A 52 4.938 -14.697 8.337 1.00 0.00 H new ATOM 610 N LYS A 53 4.790 -18.711 11.561 1.00 0.00 N ATOM 611 CA LYS A 53 4.082 -19.808 12.302 1.00 0.00 C ATOM 612 C LYS A 53 2.949 -20.398 11.452 1.00 0.00 C ATOM 613 O LYS A 53 3.146 -21.336 10.704 1.00 0.00 O ATOM 614 CB LYS A 53 3.501 -19.244 13.605 1.00 0.00 C ATOM 615 CG LYS A 53 4.610 -18.593 14.439 1.00 0.00 C ATOM 616 CD LYS A 53 5.615 -19.653 14.911 1.00 0.00 C ATOM 617 CE LYS A 53 6.407 -19.116 16.105 1.00 0.00 C ATOM 618 NZ LYS A 53 7.418 -20.126 16.524 1.00 0.00 N ATOM 0 H LYS A 53 5.790 -18.650 11.753 1.00 0.00 H new ATOM 0 HA LYS A 53 4.798 -20.600 12.522 1.00 0.00 H new ATOM 0 HB2 LYS A 53 2.727 -18.510 13.379 1.00 0.00 H new ATOM 0 HB3 LYS A 53 3.027 -20.042 14.176 1.00 0.00 H new ATOM 0 HG2 LYS A 53 5.122 -17.835 13.847 1.00 0.00 H new ATOM 0 HG3 LYS A 53 4.176 -18.085 15.300 1.00 0.00 H new ATOM 0 HD2 LYS A 53 5.090 -20.566 15.191 1.00 0.00 H new ATOM 0 HD3 LYS A 53 6.294 -19.912 14.099 1.00 0.00 H new ATOM 0 HE2 LYS A 53 6.900 -18.181 15.837 1.00 0.00 H new ATOM 0 HE3 LYS A 53 5.733 -18.895 16.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 7.957 -19.762 17.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 6.937 -21.007 16.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 8.068 -20.315 15.734 1.00 0.00 H new ATOM 632 N GLY A 54 1.763 -19.848 11.564 1.00 0.00 N ATOM 633 CA GLY A 54 0.600 -20.352 10.771 1.00 0.00 C ATOM 634 C GLY A 54 -0.073 -19.170 10.075 1.00 0.00 C ATOM 635 O GLY A 54 -0.001 -18.047 10.531 1.00 0.00 O ATOM 0 H GLY A 54 1.551 -19.062 12.179 1.00 0.00 H new ATOM 0 HA2 GLY A 54 0.934 -21.083 10.035 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -0.110 -20.859 11.424 1.00 0.00 H new ATOM 639 N GLY A 55 -0.724 -19.413 8.970 1.00 0.00 N ATOM 640 CA GLY A 55 -1.401 -18.305 8.233 1.00 0.00 C ATOM 641 C GLY A 55 -0.454 -17.763 7.160 1.00 0.00 C ATOM 642 O GLY A 55 -0.884 -17.207 6.170 1.00 0.00 O ATOM 0 H GLY A 55 -0.817 -20.335 8.543 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -2.321 -18.666 7.774 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -1.680 -17.510 8.924 1.00 0.00 H new ATOM 646 N LYS A 56 0.830 -17.936 7.344 1.00 0.00 N ATOM 647 CA LYS A 56 1.809 -17.443 6.330 1.00 0.00 C ATOM 648 C LYS A 56 1.603 -15.936 6.120 1.00 0.00 C ATOM 649 O LYS A 56 0.557 -15.403 6.438 1.00 0.00 O ATOM 650 CB LYS A 56 1.573 -18.203 5.021 1.00 0.00 C ATOM 651 CG LYS A 56 2.777 -18.044 4.094 1.00 0.00 C ATOM 652 CD LYS A 56 2.559 -18.892 2.839 1.00 0.00 C ATOM 653 CE LYS A 56 3.764 -18.745 1.910 1.00 0.00 C ATOM 654 NZ LYS A 56 5.008 -19.090 2.654 1.00 0.00 N ATOM 0 H LYS A 56 1.243 -18.398 8.154 1.00 0.00 H new ATOM 0 HA LYS A 56 2.831 -17.611 6.668 1.00 0.00 H new ATOM 0 HB2 LYS A 56 1.403 -19.259 5.231 1.00 0.00 H new ATOM 0 HB3 LYS A 56 0.675 -17.827 4.531 1.00 0.00 H new ATOM 0 HG2 LYS A 56 2.906 -16.996 3.822 1.00 0.00 H new ATOM 0 HG3 LYS A 56 3.688 -18.356 4.605 1.00 0.00 H new ATOM 0 HD2 LYS A 56 2.423 -19.938 3.113 1.00 0.00 H new ATOM 0 HD3 LYS A 56 1.650 -18.576 2.327 1.00 0.00 H new ATOM 0 HE2 LYS A 56 3.652 -19.398 1.045 1.00 0.00 H new ATOM 0 HE3 LYS A 56 3.824 -17.724 1.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 5.786 -19.239 1.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 5.253 -18.312 3.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 4.854 -19.960 3.203 1.00 0.00 H new ATOM 668 N ALA A 57 2.586 -15.231 5.598 1.00 0.00 N ATOM 669 CA ALA A 57 2.419 -13.755 5.389 1.00 0.00 C ATOM 670 C ALA A 57 2.122 -13.474 3.917 1.00 0.00 C ATOM 671 O ALA A 57 2.720 -14.049 3.029 1.00 0.00 O ATOM 672 CB ALA A 57 3.702 -13.029 5.801 1.00 0.00 C ATOM 0 H ALA A 57 3.488 -15.612 5.311 1.00 0.00 H new ATOM 0 HA ALA A 57 1.589 -13.397 5.999 1.00 0.00 H new ATOM 0 HB1 ALA A 57 3.578 -11.957 5.648 1.00 0.00 H new ATOM 0 HB2 ALA A 57 3.909 -13.224 6.853 1.00 0.00 H new ATOM 0 HB3 ALA A 57 4.534 -13.388 5.195 1.00 0.00 H new ATOM 678 N VAL A 58 1.198 -12.582 3.657 1.00 0.00 N ATOM 679 CA VAL A 58 0.836 -12.231 2.249 1.00 0.00 C ATOM 680 C VAL A 58 0.865 -10.706 2.111 1.00 0.00 C ATOM 681 O VAL A 58 0.687 -9.991 3.078 1.00 0.00 O ATOM 682 CB VAL A 58 -0.572 -12.757 1.939 1.00 0.00 C ATOM 683 CG1 VAL A 58 -1.613 -11.968 2.741 1.00 0.00 C ATOM 684 CG2 VAL A 58 -0.859 -12.606 0.443 1.00 0.00 C ATOM 0 H VAL A 58 0.673 -12.076 4.370 1.00 0.00 H new ATOM 0 HA VAL A 58 1.542 -12.681 1.551 1.00 0.00 H new ATOM 0 HB VAL A 58 -0.628 -13.810 2.217 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -2.610 -12.347 2.516 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -1.414 -12.082 3.807 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -1.557 -10.913 2.472 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -1.859 -12.980 0.225 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -0.796 -11.554 0.165 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -0.126 -13.176 -0.127 1.00 0.00 H new ATOM 694 N GLU A 59 1.116 -10.201 0.927 1.00 0.00 N ATOM 695 CA GLU A 59 1.191 -8.714 0.732 1.00 0.00 C ATOM 696 C GLU A 59 0.236 -8.296 -0.398 1.00 0.00 C ATOM 697 O GLU A 59 0.041 -9.016 -1.358 1.00 0.00 O ATOM 698 CB GLU A 59 2.648 -8.350 0.367 1.00 0.00 C ATOM 699 CG GLU A 59 3.027 -6.991 0.967 1.00 0.00 C ATOM 700 CD GLU A 59 3.253 -7.148 2.472 1.00 0.00 C ATOM 701 OE1 GLU A 59 2.940 -8.209 2.989 1.00 0.00 O ATOM 702 OE2 GLU A 59 3.736 -6.208 3.081 1.00 0.00 O ATOM 0 H GLU A 59 1.273 -10.754 0.084 1.00 0.00 H new ATOM 0 HA GLU A 59 0.897 -8.192 1.642 1.00 0.00 H new ATOM 0 HB2 GLU A 59 3.325 -9.120 0.737 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.761 -8.320 -0.717 1.00 0.00 H new ATOM 0 HG2 GLU A 59 3.930 -6.609 0.490 1.00 0.00 H new ATOM 0 HG3 GLU A 59 2.236 -6.265 0.780 1.00 0.00 H new ATOM 709 N TYR A 60 -0.364 -7.133 -0.278 1.00 0.00 N ATOM 710 CA TYR A 60 -1.321 -6.642 -1.323 1.00 0.00 C ATOM 711 C TYR A 60 -0.768 -5.355 -1.945 1.00 0.00 C ATOM 712 O TYR A 60 -0.221 -4.517 -1.256 1.00 0.00 O ATOM 713 CB TYR A 60 -2.661 -6.307 -0.660 1.00 0.00 C ATOM 714 CG TYR A 60 -3.237 -7.532 0.005 1.00 0.00 C ATOM 715 CD1 TYR A 60 -2.928 -7.814 1.341 1.00 0.00 C ATOM 716 CD2 TYR A 60 -4.091 -8.380 -0.709 1.00 0.00 C ATOM 717 CE1 TYR A 60 -3.474 -8.943 1.963 1.00 0.00 C ATOM 718 CE2 TYR A 60 -4.634 -9.511 -0.088 1.00 0.00 C ATOM 719 CZ TYR A 60 -4.327 -9.791 1.248 1.00 0.00 C ATOM 720 OH TYR A 60 -4.867 -10.902 1.861 1.00 0.00 O ATOM 0 H TYR A 60 -0.230 -6.497 0.508 1.00 0.00 H new ATOM 0 HA TYR A 60 -1.452 -7.411 -2.084 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -2.522 -5.516 0.077 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -3.359 -5.928 -1.406 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -2.268 -7.160 1.892 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -4.331 -8.162 -1.739 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -3.237 -9.159 2.994 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -5.290 -10.168 -0.640 1.00 0.00 H new ATOM 0 HH TYR A 60 -4.191 -11.321 2.433 1.00 0.00 H new ATOM 730 N ASP A 61 -0.916 -5.178 -3.235 1.00 0.00 N ATOM 731 CA ASP A 61 -0.406 -3.924 -3.881 1.00 0.00 C ATOM 732 C ASP A 61 -1.558 -2.920 -3.998 1.00 0.00 C ATOM 733 O ASP A 61 -2.596 -3.212 -4.557 1.00 0.00 O ATOM 734 CB ASP A 61 0.138 -4.243 -5.274 1.00 0.00 C ATOM 735 CG ASP A 61 -0.992 -4.785 -6.142 1.00 0.00 C ATOM 736 OD1 ASP A 61 -1.974 -5.239 -5.581 1.00 0.00 O ATOM 737 OD2 ASP A 61 -0.854 -4.745 -7.354 1.00 0.00 O ATOM 0 H ASP A 61 -1.364 -5.841 -3.867 1.00 0.00 H new ATOM 0 HA ASP A 61 0.395 -3.500 -3.275 1.00 0.00 H new ATOM 0 HB2 ASP A 61 0.562 -3.346 -5.726 1.00 0.00 H new ATOM 0 HB3 ASP A 61 0.942 -4.975 -5.204 1.00 0.00 H new ATOM 742 N VAL A 62 -1.389 -1.741 -3.462 1.00 0.00 N ATOM 743 CA VAL A 62 -2.474 -0.718 -3.527 1.00 0.00 C ATOM 744 C VAL A 62 -2.670 -0.216 -4.964 1.00 0.00 C ATOM 745 O VAL A 62 -3.662 0.411 -5.276 1.00 0.00 O ATOM 746 CB VAL A 62 -2.107 0.456 -2.612 1.00 0.00 C ATOM 747 CG1 VAL A 62 -0.981 1.283 -3.241 1.00 0.00 C ATOM 748 CG2 VAL A 62 -3.333 1.346 -2.407 1.00 0.00 C ATOM 0 H VAL A 62 -0.542 -1.441 -2.979 1.00 0.00 H new ATOM 0 HA VAL A 62 -3.408 -1.172 -3.197 1.00 0.00 H new ATOM 0 HB VAL A 62 -1.770 0.065 -1.652 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -0.729 2.114 -2.583 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -0.103 0.653 -3.383 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -1.309 1.671 -4.205 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -3.072 2.181 -1.756 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -3.670 1.728 -3.370 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -4.132 0.764 -1.948 1.00 0.00 H new ATOM 758 N MET A 63 -1.728 -0.457 -5.831 1.00 0.00 N ATOM 759 CA MET A 63 -1.867 0.042 -7.229 1.00 0.00 C ATOM 760 C MET A 63 -2.893 -0.796 -7.997 1.00 0.00 C ATOM 761 O MET A 63 -3.286 -0.445 -9.092 1.00 0.00 O ATOM 762 CB MET A 63 -0.514 -0.041 -7.938 1.00 0.00 C ATOM 763 CG MET A 63 0.508 0.823 -7.196 1.00 0.00 C ATOM 764 SD MET A 63 0.105 2.575 -7.425 1.00 0.00 S ATOM 765 CE MET A 63 0.533 2.707 -9.181 1.00 0.00 C ATOM 0 H MET A 63 -0.871 -0.975 -5.635 1.00 0.00 H new ATOM 0 HA MET A 63 -2.207 1.077 -7.199 1.00 0.00 H new ATOM 0 HB2 MET A 63 -0.173 -1.076 -7.973 1.00 0.00 H new ATOM 0 HB3 MET A 63 -0.611 0.298 -8.969 1.00 0.00 H new ATOM 0 HG2 MET A 63 0.506 0.575 -6.135 1.00 0.00 H new ATOM 0 HG3 MET A 63 1.511 0.619 -7.570 1.00 0.00 H new ATOM 0 HE1 MET A 63 1.019 3.665 -9.366 1.00 0.00 H new ATOM 0 HE2 MET A 63 1.211 1.898 -9.452 1.00 0.00 H new ATOM 0 HE3 MET A 63 -0.373 2.637 -9.783 1.00 0.00 H new ATOM 775 N SER A 64 -3.331 -1.897 -7.437 1.00 0.00 N ATOM 776 CA SER A 64 -4.337 -2.757 -8.142 1.00 0.00 C ATOM 777 C SER A 64 -5.716 -2.579 -7.502 1.00 0.00 C ATOM 778 O SER A 64 -6.716 -3.005 -8.045 1.00 0.00 O ATOM 779 CB SER A 64 -3.917 -4.222 -8.033 1.00 0.00 C ATOM 780 OG SER A 64 -3.970 -4.623 -6.672 1.00 0.00 O ATOM 0 H SER A 64 -3.036 -2.239 -6.522 1.00 0.00 H new ATOM 0 HA SER A 64 -4.386 -2.463 -9.190 1.00 0.00 H new ATOM 0 HB2 SER A 64 -4.576 -4.847 -8.635 1.00 0.00 H new ATOM 0 HB3 SER A 64 -2.908 -4.354 -8.424 1.00 0.00 H new ATOM 0 HG SER A 64 -3.264 -5.280 -6.497 1.00 0.00 H new ATOM 786 N MET A 65 -5.789 -1.951 -6.358 1.00 0.00 N ATOM 787 CA MET A 65 -7.117 -1.752 -5.709 1.00 0.00 C ATOM 788 C MET A 65 -7.860 -0.615 -6.433 1.00 0.00 C ATOM 789 O MET A 65 -7.242 0.321 -6.897 1.00 0.00 O ATOM 790 CB MET A 65 -6.921 -1.368 -4.238 1.00 0.00 C ATOM 791 CG MET A 65 -6.188 -2.488 -3.493 1.00 0.00 C ATOM 792 SD MET A 65 -5.668 -1.877 -1.867 1.00 0.00 S ATOM 793 CE MET A 65 -4.430 -3.148 -1.502 1.00 0.00 C ATOM 0 H MET A 65 -4.992 -1.570 -5.848 1.00 0.00 H new ATOM 0 HA MET A 65 -7.694 -2.675 -5.767 1.00 0.00 H new ATOM 0 HB2 MET A 65 -6.351 -0.442 -4.169 1.00 0.00 H new ATOM 0 HB3 MET A 65 -7.888 -1.183 -3.771 1.00 0.00 H new ATOM 0 HG2 MET A 65 -6.841 -3.353 -3.378 1.00 0.00 H new ATOM 0 HG3 MET A 65 -5.321 -2.816 -4.066 1.00 0.00 H new ATOM 0 HE1 MET A 65 -4.670 -3.628 -0.553 1.00 0.00 H new ATOM 0 HE2 MET A 65 -4.429 -3.894 -2.297 1.00 0.00 H new ATOM 0 HE3 MET A 65 -3.444 -2.687 -1.436 1.00 0.00 H new ATOM 803 N PRO A 66 -9.174 -0.673 -6.528 1.00 0.00 N ATOM 804 CA PRO A 66 -9.966 0.395 -7.203 1.00 0.00 C ATOM 805 C PRO A 66 -9.436 1.799 -6.880 1.00 0.00 C ATOM 806 O PRO A 66 -8.808 2.012 -5.862 1.00 0.00 O ATOM 807 CB PRO A 66 -11.375 0.204 -6.631 1.00 0.00 C ATOM 808 CG PRO A 66 -11.474 -1.260 -6.321 1.00 0.00 C ATOM 809 CD PRO A 66 -10.046 -1.747 -6.011 1.00 0.00 C ATOM 0 HA PRO A 66 -9.921 0.318 -8.289 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -11.522 0.808 -5.735 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -12.137 0.508 -7.349 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -12.134 -1.431 -5.471 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -11.894 -1.806 -7.165 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -9.900 -1.897 -4.941 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -9.836 -2.699 -6.498 1.00 0.00 H new ATOM 817 N THR A 67 -9.677 2.756 -7.736 1.00 0.00 N ATOM 818 CA THR A 67 -9.180 4.137 -7.474 1.00 0.00 C ATOM 819 C THR A 67 -9.772 4.671 -6.165 1.00 0.00 C ATOM 820 O THR A 67 -9.098 5.332 -5.400 1.00 0.00 O ATOM 821 CB THR A 67 -9.584 5.054 -8.631 1.00 0.00 C ATOM 822 OG1 THR A 67 -9.015 4.565 -9.839 1.00 0.00 O ATOM 823 CG2 THR A 67 -9.075 6.471 -8.365 1.00 0.00 C ATOM 0 H THR A 67 -10.197 2.640 -8.606 1.00 0.00 H new ATOM 0 HA THR A 67 -8.094 4.114 -7.388 1.00 0.00 H new ATOM 0 HB THR A 67 -10.670 5.072 -8.719 1.00 0.00 H new ATOM 0 HG1 THR A 67 -9.273 5.149 -10.582 1.00 0.00 H new ATOM 0 HG21 THR A 67 -9.364 7.122 -9.190 1.00 0.00 H new ATOM 0 HG22 THR A 67 -9.509 6.846 -7.438 1.00 0.00 H new ATOM 0 HG23 THR A 67 -7.989 6.457 -8.277 1.00 0.00 H new ATOM 831 N LYS A 68 -11.027 4.408 -5.898 1.00 0.00 N ATOM 832 CA LYS A 68 -11.630 4.929 -4.634 1.00 0.00 C ATOM 833 C LYS A 68 -10.847 4.395 -3.433 1.00 0.00 C ATOM 834 O LYS A 68 -10.480 5.136 -2.543 1.00 0.00 O ATOM 835 CB LYS A 68 -13.091 4.477 -4.517 1.00 0.00 C ATOM 836 CG LYS A 68 -13.953 5.200 -5.555 1.00 0.00 C ATOM 837 CD LYS A 68 -15.413 4.765 -5.388 1.00 0.00 C ATOM 838 CE LYS A 68 -16.302 5.563 -6.345 1.00 0.00 C ATOM 839 NZ LYS A 68 -17.676 4.984 -6.344 1.00 0.00 N ATOM 0 H LYS A 68 -11.652 3.863 -6.492 1.00 0.00 H new ATOM 0 HA LYS A 68 -11.589 6.018 -4.651 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -13.159 3.399 -4.665 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -13.465 4.686 -3.514 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -13.866 6.279 -5.430 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -13.604 4.967 -6.561 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -15.510 3.698 -5.590 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -15.735 4.925 -4.359 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -16.336 6.609 -6.040 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -15.886 5.538 -7.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -18.281 5.525 -6.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -17.635 3.992 -6.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -18.071 5.030 -5.383 1.00 0.00 H new ATOM 853 N GLU A 69 -10.576 3.120 -3.405 1.00 0.00 N ATOM 854 CA GLU A 69 -9.804 2.552 -2.264 1.00 0.00 C ATOM 855 C GLU A 69 -8.381 3.115 -2.293 1.00 0.00 C ATOM 856 O GLU A 69 -7.803 3.423 -1.271 1.00 0.00 O ATOM 857 CB GLU A 69 -9.763 1.027 -2.379 1.00 0.00 C ATOM 858 CG GLU A 69 -11.157 0.459 -2.102 1.00 0.00 C ATOM 859 CD GLU A 69 -11.149 -1.053 -2.331 1.00 0.00 C ATOM 860 OE1 GLU A 69 -10.076 -1.596 -2.533 1.00 0.00 O ATOM 861 OE2 GLU A 69 -12.217 -1.642 -2.299 1.00 0.00 O ATOM 0 H GLU A 69 -10.854 2.448 -4.120 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.284 2.823 -1.323 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.431 0.735 -3.375 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -9.044 0.617 -1.670 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -11.454 0.680 -1.077 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -11.890 0.932 -2.755 1.00 0.00 H new ATOM 868 N ARG A 70 -7.816 3.248 -3.462 1.00 0.00 N ATOM 869 CA ARG A 70 -6.430 3.786 -3.568 1.00 0.00 C ATOM 870 C ARG A 70 -6.388 5.187 -2.951 1.00 0.00 C ATOM 871 O ARG A 70 -5.453 5.548 -2.265 1.00 0.00 O ATOM 872 CB ARG A 70 -6.045 3.868 -5.049 1.00 0.00 C ATOM 873 CG ARG A 70 -4.609 4.377 -5.196 1.00 0.00 C ATOM 874 CD ARG A 70 -4.249 4.450 -6.683 1.00 0.00 C ATOM 875 NE ARG A 70 -2.851 4.940 -6.836 1.00 0.00 N ATOM 876 CZ ARG A 70 -2.233 4.801 -7.978 1.00 0.00 C ATOM 877 NH1 ARG A 70 -2.844 4.240 -8.986 1.00 0.00 N ATOM 878 NH2 ARG A 70 -1.006 5.224 -8.112 1.00 0.00 N ATOM 0 H ARG A 70 -8.256 3.007 -4.350 1.00 0.00 H new ATOM 0 HA ARG A 70 -5.732 3.135 -3.041 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -6.139 2.885 -5.511 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -6.730 4.534 -5.574 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -4.511 5.361 -4.737 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -3.920 3.712 -4.675 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -4.352 3.466 -7.141 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -4.938 5.117 -7.202 1.00 0.00 H new ATOM 0 HE ARG A 70 -2.377 5.384 -6.050 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -3.804 3.911 -8.881 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -2.362 4.131 -9.878 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -0.529 5.663 -7.325 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -0.524 5.115 -9.004 1.00 0.00 H new ATOM 892 N GLU A 71 -7.402 5.974 -3.184 1.00 0.00 N ATOM 893 CA GLU A 71 -7.446 7.339 -2.618 1.00 0.00 C ATOM 894 C GLU A 71 -7.424 7.264 -1.087 1.00 0.00 C ATOM 895 O GLU A 71 -6.797 8.066 -0.425 1.00 0.00 O ATOM 896 CB GLU A 71 -8.744 7.992 -3.097 1.00 0.00 C ATOM 897 CG GLU A 71 -8.858 9.408 -2.551 1.00 0.00 C ATOM 898 CD GLU A 71 -7.716 10.270 -3.093 1.00 0.00 C ATOM 899 OE1 GLU A 71 -7.139 9.892 -4.098 1.00 0.00 O ATOM 900 OE2 GLU A 71 -7.445 11.299 -2.498 1.00 0.00 O ATOM 0 H GLU A 71 -8.210 5.720 -3.752 1.00 0.00 H new ATOM 0 HA GLU A 71 -6.585 7.923 -2.942 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -8.768 8.012 -4.187 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -9.599 7.400 -2.771 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -9.818 9.840 -2.835 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -8.826 9.390 -1.462 1.00 0.00 H new ATOM 907 N GLN A 72 -8.126 6.320 -0.524 1.00 0.00 N ATOM 908 CA GLN A 72 -8.177 6.202 0.962 1.00 0.00 C ATOM 909 C GLN A 72 -6.787 5.886 1.518 1.00 0.00 C ATOM 910 O GLN A 72 -6.397 6.388 2.554 1.00 0.00 O ATOM 911 CB GLN A 72 -9.140 5.076 1.349 1.00 0.00 C ATOM 912 CG GLN A 72 -10.578 5.500 1.037 1.00 0.00 C ATOM 913 CD GLN A 72 -11.010 6.607 2.001 1.00 0.00 C ATOM 914 OE1 GLN A 72 -11.433 7.665 1.578 1.00 0.00 O ATOM 915 NE2 GLN A 72 -10.924 6.406 3.287 1.00 0.00 N ATOM 0 H GLN A 72 -8.669 5.621 -1.031 1.00 0.00 H new ATOM 0 HA GLN A 72 -8.521 7.148 1.379 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -8.891 4.167 0.801 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -9.040 4.847 2.410 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -10.648 5.853 0.008 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -11.247 4.644 1.127 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -10.569 5.518 3.642 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -11.212 7.137 3.938 1.00 0.00 H new ATOM 924 N VAL A 73 -6.043 5.046 0.857 1.00 0.00 N ATOM 925 CA VAL A 73 -4.691 4.687 1.371 1.00 0.00 C ATOM 926 C VAL A 73 -3.745 5.888 1.248 1.00 0.00 C ATOM 927 O VAL A 73 -2.996 6.192 2.154 1.00 0.00 O ATOM 928 CB VAL A 73 -4.142 3.522 0.550 1.00 0.00 C ATOM 929 CG1 VAL A 73 -2.694 3.237 0.957 1.00 0.00 C ATOM 930 CG2 VAL A 73 -5.001 2.280 0.795 1.00 0.00 C ATOM 0 H VAL A 73 -6.311 4.592 -0.016 1.00 0.00 H new ATOM 0 HA VAL A 73 -4.766 4.402 2.420 1.00 0.00 H new ATOM 0 HB VAL A 73 -4.169 3.780 -0.509 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -2.308 2.405 0.368 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -2.085 4.123 0.777 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -2.657 2.980 2.016 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -4.611 1.447 0.210 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -4.976 2.023 1.854 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -6.029 2.484 0.496 1.00 0.00 H new ATOM 940 N ILE A 74 -3.770 6.576 0.138 1.00 0.00 N ATOM 941 CA ILE A 74 -2.867 7.753 -0.026 1.00 0.00 C ATOM 942 C ILE A 74 -3.180 8.781 1.061 1.00 0.00 C ATOM 943 O ILE A 74 -2.296 9.399 1.621 1.00 0.00 O ATOM 944 CB ILE A 74 -3.085 8.389 -1.406 1.00 0.00 C ATOM 945 CG1 ILE A 74 -2.664 7.401 -2.519 1.00 0.00 C ATOM 946 CG2 ILE A 74 -2.269 9.688 -1.511 1.00 0.00 C ATOM 947 CD1 ILE A 74 -1.146 7.445 -2.768 1.00 0.00 C ATOM 0 H ILE A 74 -4.374 6.376 -0.659 1.00 0.00 H new ATOM 0 HA ILE A 74 -1.830 7.428 0.059 1.00 0.00 H new ATOM 0 HB ILE A 74 -4.142 8.622 -1.530 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -2.959 6.389 -2.240 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -3.192 7.644 -3.441 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -2.425 10.138 -2.492 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -2.592 10.384 -0.737 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -1.210 9.464 -1.379 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -0.886 6.738 -3.556 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -0.856 8.451 -3.072 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -0.619 7.177 -1.852 1.00 0.00 H new ATOM 959 N ALA A 75 -4.434 8.970 1.360 1.00 0.00 N ATOM 960 CA ALA A 75 -4.812 9.958 2.407 1.00 0.00 C ATOM 961 C ALA A 75 -4.170 9.559 3.737 1.00 0.00 C ATOM 962 O ALA A 75 -3.713 10.392 4.491 1.00 0.00 O ATOM 963 CB ALA A 75 -6.334 9.978 2.560 1.00 0.00 C ATOM 0 H ALA A 75 -5.216 8.481 0.923 1.00 0.00 H new ATOM 0 HA ALA A 75 -4.463 10.949 2.118 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.613 10.701 3.326 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.791 10.260 1.612 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -6.683 8.987 2.851 1.00 0.00 H new ATOM 969 N HIS A 76 -4.145 8.290 4.034 1.00 0.00 N ATOM 970 CA HIS A 76 -3.544 7.832 5.320 1.00 0.00 C ATOM 971 C HIS A 76 -2.033 8.102 5.336 1.00 0.00 C ATOM 972 O HIS A 76 -1.470 8.442 6.353 1.00 0.00 O ATOM 973 CB HIS A 76 -3.794 6.335 5.496 1.00 0.00 C ATOM 974 CG HIS A 76 -3.349 5.914 6.868 1.00 0.00 C ATOM 975 ND1 HIS A 76 -4.248 5.673 7.896 1.00 0.00 N ATOM 976 CD2 HIS A 76 -2.103 5.697 7.403 1.00 0.00 C ATOM 977 CE1 HIS A 76 -3.536 5.328 8.984 1.00 0.00 C ATOM 978 NE2 HIS A 76 -2.223 5.327 8.739 1.00 0.00 N ATOM 0 H HIS A 76 -4.516 7.547 3.441 1.00 0.00 H new ATOM 0 HA HIS A 76 -4.008 8.384 6.138 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -4.853 6.113 5.361 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -3.251 5.772 4.737 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -1.171 5.798 6.868 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -3.973 5.082 9.940 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -1.471 5.103 9.391 1.00 0.00 H new ATOM 986 N LEU A 77 -1.362 7.941 4.229 1.00 0.00 N ATOM 987 CA LEU A 77 0.112 8.186 4.227 1.00 0.00 C ATOM 988 C LEU A 77 0.398 9.636 4.631 1.00 0.00 C ATOM 989 O LEU A 77 1.336 9.912 5.352 1.00 0.00 O ATOM 990 CB LEU A 77 0.684 7.940 2.826 1.00 0.00 C ATOM 991 CG LEU A 77 0.474 6.479 2.405 1.00 0.00 C ATOM 992 CD1 LEU A 77 1.033 6.286 0.991 1.00 0.00 C ATOM 993 CD2 LEU A 77 1.201 5.531 3.379 1.00 0.00 C ATOM 0 H LEU A 77 -1.762 7.654 3.335 1.00 0.00 H new ATOM 0 HA LEU A 77 0.579 7.505 4.938 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.201 8.604 2.109 1.00 0.00 H new ATOM 0 HB3 LEU A 77 1.748 8.178 2.815 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.591 6.248 2.423 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.889 5.251 0.681 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.511 6.948 0.300 1.00 0.00 H new ATOM 0 HD13 LEU A 77 2.097 6.522 0.985 1.00 0.00 H new ATOM 0 HD21 LEU A 77 1.043 4.498 3.068 1.00 0.00 H new ATOM 0 HD22 LEU A 77 2.268 5.752 3.374 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.806 5.671 4.385 1.00 0.00 H new ATOM 1005 N GLY A 78 -0.395 10.568 4.162 1.00 0.00 N ATOM 1006 CA GLY A 78 -0.162 12.008 4.507 1.00 0.00 C ATOM 1007 C GLY A 78 -1.130 12.461 5.604 1.00 0.00 C ATOM 1008 O GLY A 78 -0.895 13.445 6.277 1.00 0.00 O ATOM 0 H GLY A 78 -1.195 10.395 3.554 1.00 0.00 H new ATOM 0 HA2 GLY A 78 0.866 12.146 4.842 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -0.294 12.627 3.619 1.00 0.00 H new ATOM 1012 N LEU A 79 -2.221 11.766 5.783 1.00 0.00 N ATOM 1013 CA LEU A 79 -3.204 12.172 6.832 1.00 0.00 C ATOM 1014 C LEU A 79 -3.582 13.640 6.620 1.00 0.00 C ATOM 1015 O LEU A 79 -4.173 14.270 7.475 1.00 0.00 O ATOM 1016 CB LEU A 79 -2.584 11.990 8.230 1.00 0.00 C ATOM 1017 CG LEU A 79 -2.661 10.510 8.661 1.00 0.00 C ATOM 1018 CD1 LEU A 79 -1.561 10.213 9.686 1.00 0.00 C ATOM 1019 CD2 LEU A 79 -4.025 10.219 9.304 1.00 0.00 C ATOM 0 H LEU A 79 -2.475 10.935 5.249 1.00 0.00 H new ATOM 0 HA LEU A 79 -4.095 11.549 6.759 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -1.545 12.320 8.220 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -3.110 12.614 8.953 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.530 9.882 7.780 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -1.618 9.167 9.988 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -0.586 10.409 9.240 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -1.696 10.851 10.559 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -4.070 9.172 9.605 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -4.157 10.854 10.180 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -4.818 10.424 8.584 1.00 0.00 H new ATOM 1031 N SER A 80 -3.246 14.190 5.484 1.00 0.00 N ATOM 1032 CA SER A 80 -3.587 15.615 5.216 1.00 0.00 C ATOM 1033 C SER A 80 -3.434 15.900 3.721 1.00 0.00 C ATOM 1034 O SER A 80 -3.909 16.899 3.216 1.00 0.00 O ATOM 1035 CB SER A 80 -2.645 16.522 6.008 1.00 0.00 C ATOM 1036 OG SER A 80 -2.918 16.385 7.397 1.00 0.00 O ATOM 0 H SER A 80 -2.750 13.713 4.731 1.00 0.00 H new ATOM 0 HA SER A 80 -4.616 15.808 5.520 1.00 0.00 H new ATOM 0 HB2 SER A 80 -1.608 16.257 5.802 1.00 0.00 H new ATOM 0 HB3 SER A 80 -2.776 17.559 5.700 1.00 0.00 H new ATOM 0 HG SER A 80 -3.769 15.914 7.518 1.00 0.00 H new ATOM 1042 N THR A 81 -2.773 15.030 3.010 1.00 0.00 N ATOM 1043 CA THR A 81 -2.583 15.247 1.548 1.00 0.00 C ATOM 1044 C THR A 81 -3.856 14.837 0.801 1.00 0.00 C ATOM 1045 O THR A 81 -4.034 15.151 -0.359 1.00 0.00 O ATOM 1046 CB THR A 81 -1.405 14.400 1.059 1.00 0.00 C ATOM 1047 OG1 THR A 81 -1.126 14.717 -0.297 1.00 0.00 O ATOM 1048 CG2 THR A 81 -1.754 12.915 1.179 1.00 0.00 C ATOM 0 H THR A 81 -2.355 14.176 3.379 1.00 0.00 H new ATOM 0 HA THR A 81 -2.377 16.300 1.358 1.00 0.00 H new ATOM 0 HB THR A 81 -0.527 14.613 1.669 1.00 0.00 H new ATOM 0 HG1 THR A 81 -1.956 14.971 -0.751 1.00 0.00 H new ATOM 0 HG21 THR A 81 -0.914 12.314 0.830 1.00 0.00 H new ATOM 0 HG22 THR A 81 -1.965 12.674 2.221 1.00 0.00 H new ATOM 0 HG23 THR A 81 -2.632 12.697 0.571 1.00 0.00 H new TER 1056 THR A 81