USER MOD reduce.3.24.130724 H: found=0, std=0, add=884, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 882 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 125 LYS NZ :NH3+ 180:sc= 0.141 (180deg=-0.133) USER MOD Set 1.2: A 141 THR OG1 : rot -160:sc= 0.038 USER MOD Set 2.1: A 84 SER OG : rot 112:sc= 1.54 USER MOD Set 2.2: A 109 TYR OH : rot -27:sc= -0.268 USER MOD Set 2.3: A 110 ASN : amide:sc= -4.84! C(o=-3.6!,f=-8.2!) USER MOD Set 3.1: A 50 HIS : no HE2:sc= -5.14 K(o=-4.9,f=-9.9!) USER MOD Set 3.2: A 131 THR OG1 : rot 106:sc= 0.284 USER MOD Single : A 44 HIS : no HD1:sc= -14.6! C(o=-15!,f=-26!) USER MOD Single : A 45 THR OG1 : rot -84:sc= 1.07 USER MOD Single : A 46 SER OG : rot -140:sc= -0.839 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 LYS NZ :NH3+ -128:sc= 0 (180deg=-1.72) USER MOD Single : A 58 ASN : amide:sc= 0.0647 K(o=0.065,f=-3!) USER MOD Single : A 65 ASN : amide:sc= -2.66 K(o=-2.7,f=-0.91!) USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 MET CE :methyl -154:sc= -0.348 (180deg=-1.4) USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.325 USER MOD Single : A 80 MET CE :methyl 158:sc= -0.21 (180deg=-1) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot 86:sc= 0.0159 USER MOD Single : A 89 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 GLN : amide:sc= -2.86 K(o=-2.9,f=-3.7!) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 LYS NZ :NH3+ 167:sc= 0.874 (180deg=0.315) USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 THR OG1 : rot 180:sc= -0.764 USER MOD Single : A 137 SER OG : rot -108:sc= -0.256 USER MOD Single : A 139 HIS : no HE2:sc= -5.94! C(o=-5.9!,f=-6.5!) USER MOD Single : A 140 CYS SG : rot 144:sc= -0.832 USER MOD Single : A 147 THR OG1 : rot -132:sc= 0.602 USER MOD Single : A 148 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 40 2.834 11.028 4.830 1.00 0.00 N ATOM 2 CA PHE A 40 2.177 9.716 4.835 1.00 0.00 C ATOM 3 C PHE A 40 0.884 9.582 4.024 1.00 0.00 C ATOM 4 O PHE A 40 -0.200 9.372 4.534 1.00 0.00 O ATOM 5 CB PHE A 40 1.986 9.398 6.265 1.00 0.00 C ATOM 6 CG PHE A 40 2.129 7.911 6.462 1.00 0.00 C ATOM 7 CD1 PHE A 40 1.060 7.069 6.341 1.00 0.00 C ATOM 8 CD2 PHE A 40 3.393 7.440 6.742 1.00 0.00 C ATOM 9 CE1 PHE A 40 1.241 5.731 6.500 1.00 0.00 C ATOM 10 CE2 PHE A 40 3.624 6.064 6.912 1.00 0.00 C ATOM 11 CZ PHE A 40 2.508 5.237 6.788 1.00 0.00 C ATOM 0 HA PHE A 40 2.811 9.002 4.310 1.00 0.00 H new ATOM 0 HB2 PHE A 40 2.720 9.930 6.870 1.00 0.00 H new ATOM 0 HB3 PHE A 40 1.001 9.728 6.596 1.00 0.00 H new ATOM 0 HD1 PHE A 40 0.079 7.463 6.121 1.00 0.00 H new ATOM 0 HD2 PHE A 40 4.215 8.135 6.832 1.00 0.00 H new ATOM 0 HE1 PHE A 40 0.404 5.055 6.403 1.00 0.00 H new ATOM 0 HE2 PHE A 40 4.607 5.671 7.126 1.00 0.00 H new ATOM 0 HZ PHE A 40 2.633 4.172 6.921 1.00 0.00 H new ATOM 21 N ARG A 41 1.075 9.724 2.736 1.00 0.00 N ATOM 22 CA ARG A 41 -0.034 9.626 1.762 1.00 0.00 C ATOM 23 C ARG A 41 0.317 8.698 0.646 1.00 0.00 C ATOM 24 O ARG A 41 1.157 7.834 0.757 1.00 0.00 O ATOM 25 CB ARG A 41 -0.307 11.045 1.271 1.00 0.00 C ATOM 26 CG ARG A 41 -0.945 11.880 2.370 1.00 0.00 C ATOM 27 CD ARG A 41 0.119 12.766 2.991 1.00 0.00 C ATOM 28 NE ARG A 41 -0.451 13.373 4.220 1.00 0.00 N ATOM 29 CZ ARG A 41 0.092 13.077 5.366 1.00 0.00 C ATOM 30 NH1 ARG A 41 1.144 13.743 5.751 1.00 0.00 N ATOM 31 NH2 ARG A 41 -0.440 12.126 6.082 1.00 0.00 N ATOM 0 H ARG A 41 1.986 9.909 2.316 1.00 0.00 H new ATOM 0 HA ARG A 41 -0.931 9.209 2.219 1.00 0.00 H new ATOM 0 HB2 ARG A 41 0.625 11.509 0.949 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -0.965 11.014 0.402 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -1.752 12.489 1.961 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -1.387 11.233 3.128 1.00 0.00 H new ATOM 0 HD2 ARG A 41 1.008 12.183 3.231 1.00 0.00 H new ATOM 0 HD3 ARG A 41 0.426 13.542 2.290 1.00 0.00 H new ATOM 0 HE ARG A 41 -1.249 14.007 4.168 1.00 0.00 H new ATOM 0 HH11 ARG A 41 1.526 14.480 5.158 1.00 0.00 H new ATOM 0 HH12 ARG A 41 1.585 13.527 6.645 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -1.264 11.631 5.741 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -0.032 11.877 6.983 1.00 0.00 H new ATOM 45 N ARG A 42 -0.341 8.903 -0.440 1.00 0.00 N ATOM 46 CA ARG A 42 -0.015 7.997 -1.544 1.00 0.00 C ATOM 47 C ARG A 42 1.236 8.409 -2.197 1.00 0.00 C ATOM 48 O ARG A 42 1.556 9.577 -2.280 1.00 0.00 O ATOM 49 CB ARG A 42 -1.147 7.978 -2.588 1.00 0.00 C ATOM 50 CG ARG A 42 -0.681 8.203 -4.034 1.00 0.00 C ATOM 51 CD ARG A 42 -0.540 9.712 -4.270 1.00 0.00 C ATOM 52 NE ARG A 42 0.243 9.908 -5.515 1.00 0.00 N ATOM 53 CZ ARG A 42 0.211 11.069 -6.104 1.00 0.00 C ATOM 54 NH1 ARG A 42 0.000 12.129 -5.373 1.00 0.00 N ATOM 55 NH2 ARG A 42 0.393 11.131 -7.393 1.00 0.00 N ATOM 0 H ARG A 42 -1.051 9.616 -0.608 1.00 0.00 H new ATOM 0 HA ARG A 42 0.105 6.997 -1.128 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -1.662 7.019 -2.530 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -1.875 8.747 -2.330 1.00 0.00 H new ATOM 0 HG2 ARG A 42 0.271 7.702 -4.208 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -1.399 7.775 -4.734 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -1.522 10.177 -4.359 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -0.039 10.185 -3.426 1.00 0.00 H new ATOM 0 HE ARG A 42 0.798 9.145 -5.903 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -0.135 12.036 -4.366 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -0.030 13.051 -5.808 1.00 0.00 H new ATOM 0 HH21 ARG A 42 0.558 10.277 -7.926 1.00 0.00 H new ATOM 0 HH22 ARG A 42 0.371 12.033 -7.868 1.00 0.00 H new ATOM 69 N ASP A 43 1.889 7.347 -2.595 1.00 0.00 N ATOM 70 CA ASP A 43 3.193 7.478 -3.297 1.00 0.00 C ATOM 71 C ASP A 43 4.111 6.855 -2.309 1.00 0.00 C ATOM 72 O ASP A 43 5.165 6.420 -2.702 1.00 0.00 O ATOM 73 CB ASP A 43 3.701 8.922 -3.513 1.00 0.00 C ATOM 74 CG ASP A 43 5.019 8.859 -4.276 1.00 0.00 C ATOM 75 OD1 ASP A 43 4.948 8.435 -5.415 1.00 0.00 O ATOM 76 OD2 ASP A 43 6.016 9.231 -3.678 1.00 0.00 O ATOM 0 H ASP A 43 1.568 6.388 -2.461 1.00 0.00 H new ATOM 0 HA ASP A 43 3.123 7.050 -4.297 1.00 0.00 H new ATOM 0 HB2 ASP A 43 2.967 9.503 -4.071 1.00 0.00 H new ATOM 0 HB3 ASP A 43 3.841 9.422 -2.555 1.00 0.00 H new ATOM 81 N HIS A 44 3.676 6.852 -1.070 1.00 0.00 N ATOM 82 CA HIS A 44 4.499 6.247 0.011 1.00 0.00 C ATOM 83 C HIS A 44 5.606 5.271 -0.296 1.00 0.00 C ATOM 84 O HIS A 44 5.503 4.079 -0.511 1.00 0.00 O ATOM 85 CB HIS A 44 3.654 5.677 0.819 1.00 0.00 C ATOM 86 CG HIS A 44 3.616 6.296 2.104 1.00 0.00 C ATOM 87 ND1 HIS A 44 4.598 6.677 2.839 1.00 0.00 N ATOM 88 CD2 HIS A 44 2.490 6.516 2.759 1.00 0.00 C ATOM 89 CE1 HIS A 44 4.092 7.117 3.927 1.00 0.00 C ATOM 90 NE2 HIS A 44 2.773 7.030 3.920 1.00 0.00 N ATOM 0 H HIS A 44 2.785 7.244 -0.767 1.00 0.00 H new ATOM 0 HA HIS A 44 5.079 7.087 0.394 1.00 0.00 H new ATOM 0 HB2 HIS A 44 2.658 5.707 0.377 1.00 0.00 H new ATOM 0 HB3 HIS A 44 3.920 4.626 0.934 1.00 0.00 H new ATOM 0 HD2 HIS A 44 1.497 6.304 2.391 1.00 0.00 H new ATOM 0 HE1 HIS A 44 4.670 7.511 4.750 1.00 0.00 H new ATOM 0 HE2 HIS A 44 2.124 7.304 4.658 1.00 0.00 H new ATOM 98 N THR A 45 6.640 6.017 -0.264 1.00 0.00 N ATOM 99 CA THR A 45 8.065 5.610 -0.517 1.00 0.00 C ATOM 100 C THR A 45 9.234 6.310 0.168 1.00 0.00 C ATOM 101 O THR A 45 9.129 7.309 0.851 1.00 0.00 O ATOM 102 CB THR A 45 8.365 5.705 -1.983 1.00 0.00 C ATOM 103 OG1 THR A 45 7.876 6.979 -2.377 1.00 0.00 O ATOM 104 CG2 THR A 45 7.547 4.688 -2.673 1.00 0.00 C ATOM 0 H THR A 45 6.564 7.011 -0.049 1.00 0.00 H new ATOM 0 HA THR A 45 8.042 4.618 -0.066 1.00 0.00 H new ATOM 0 HB THR A 45 9.423 5.566 -2.207 1.00 0.00 H new ATOM 0 HG1 THR A 45 6.919 6.915 -2.576 1.00 0.00 H new ATOM 0 HG21 THR A 45 7.742 4.730 -3.745 1.00 0.00 H new ATOM 0 HG22 THR A 45 7.804 3.698 -2.296 1.00 0.00 H new ATOM 0 HG23 THR A 45 6.491 4.884 -2.488 1.00 0.00 H new ATOM 112 N SER A 46 10.338 5.666 -0.107 1.00 0.00 N ATOM 113 CA SER A 46 11.686 6.067 0.383 1.00 0.00 C ATOM 114 C SER A 46 12.730 5.737 -0.665 1.00 0.00 C ATOM 115 O SER A 46 13.598 4.921 -0.452 1.00 0.00 O ATOM 116 CB SER A 46 12.014 5.330 1.640 1.00 0.00 C ATOM 117 OG SER A 46 11.701 6.298 2.627 1.00 0.00 O ATOM 0 H SER A 46 10.355 4.827 -0.688 1.00 0.00 H new ATOM 0 HA SER A 46 11.682 7.139 0.579 1.00 0.00 H new ATOM 0 HB2 SER A 46 11.418 4.424 1.751 1.00 0.00 H new ATOM 0 HB3 SER A 46 13.061 5.030 1.678 1.00 0.00 H new ATOM 0 HG SER A 46 12.375 6.270 3.338 1.00 0.00 H new ATOM 123 N ASP A 47 12.586 6.383 -1.777 1.00 0.00 N ATOM 124 CA ASP A 47 13.509 6.211 -2.935 1.00 0.00 C ATOM 125 C ASP A 47 14.959 5.760 -2.676 1.00 0.00 C ATOM 126 O ASP A 47 15.490 4.920 -3.372 1.00 0.00 O ATOM 127 CB ASP A 47 13.567 7.535 -3.701 1.00 0.00 C ATOM 128 CG ASP A 47 14.104 8.628 -2.768 1.00 0.00 C ATOM 129 OD1 ASP A 47 13.400 8.941 -1.823 1.00 0.00 O ATOM 130 OD2 ASP A 47 15.197 9.087 -3.055 1.00 0.00 O ATOM 0 H ASP A 47 11.836 7.053 -1.943 1.00 0.00 H new ATOM 0 HA ASP A 47 13.070 5.373 -3.477 1.00 0.00 H new ATOM 0 HB2 ASP A 47 14.211 7.436 -4.575 1.00 0.00 H new ATOM 0 HB3 ASP A 47 12.575 7.804 -4.064 1.00 0.00 H new ATOM 135 N GLN A 48 15.586 6.325 -1.683 1.00 0.00 N ATOM 136 CA GLN A 48 16.945 6.019 -1.318 1.00 0.00 C ATOM 137 C GLN A 48 17.050 4.564 -0.861 1.00 0.00 C ATOM 138 O GLN A 48 17.929 3.801 -1.217 1.00 0.00 O ATOM 139 CB GLN A 48 17.213 7.101 -0.283 1.00 0.00 C ATOM 140 CG GLN A 48 18.119 6.600 0.738 1.00 0.00 C ATOM 141 CD GLN A 48 18.220 7.656 1.833 1.00 0.00 C ATOM 142 OE1 GLN A 48 18.766 8.728 1.663 1.00 0.00 O ATOM 143 NE2 GLN A 48 17.682 7.372 2.985 1.00 0.00 N ATOM 0 H GLN A 48 15.155 7.032 -1.087 1.00 0.00 H new ATOM 0 HA GLN A 48 17.701 6.049 -2.103 1.00 0.00 H new ATOM 0 HB2 GLN A 48 17.645 7.978 -0.765 1.00 0.00 H new ATOM 0 HB3 GLN A 48 16.276 7.418 0.175 1.00 0.00 H new ATOM 0 HG2 GLN A 48 17.750 5.660 1.148 1.00 0.00 H new ATOM 0 HG3 GLN A 48 19.101 6.398 0.311 1.00 0.00 H new ATOM 0 HE21 GLN A 48 17.224 6.472 3.126 1.00 0.00 H new ATOM 0 HE22 GLN A 48 17.719 8.050 3.746 1.00 0.00 H new ATOM 152 N LEU A 49 16.104 4.200 -0.060 1.00 0.00 N ATOM 153 CA LEU A 49 16.123 2.836 0.427 1.00 0.00 C ATOM 154 C LEU A 49 15.717 2.031 -0.775 1.00 0.00 C ATOM 155 O LEU A 49 16.258 0.982 -0.943 1.00 0.00 O ATOM 156 CB LEU A 49 15.174 2.854 1.622 1.00 0.00 C ATOM 157 CG LEU A 49 14.400 1.596 1.988 1.00 0.00 C ATOM 158 CD1 LEU A 49 13.152 1.677 1.181 1.00 0.00 C ATOM 159 CD2 LEU A 49 14.958 0.308 1.459 1.00 0.00 C ATOM 0 H LEU A 49 15.336 4.786 0.267 1.00 0.00 H new ATOM 0 HA LEU A 49 17.056 2.405 0.791 1.00 0.00 H new ATOM 0 HB2 LEU A 49 15.757 3.144 2.496 1.00 0.00 H new ATOM 0 HB3 LEU A 49 14.445 3.646 1.448 1.00 0.00 H new ATOM 0 HG LEU A 49 14.360 1.574 3.077 1.00 0.00 H new ATOM 0 HD11 LEU A 49 12.531 0.805 1.384 1.00 0.00 H new ATOM 0 HD12 LEU A 49 12.605 2.582 1.446 1.00 0.00 H new ATOM 0 HD13 LEU A 49 13.405 1.704 0.121 1.00 0.00 H new ATOM 0 HD21 LEU A 49 14.328 -0.521 1.781 1.00 0.00 H new ATOM 0 HD22 LEU A 49 14.984 0.343 0.370 1.00 0.00 H new ATOM 0 HD23 LEU A 49 15.969 0.165 1.841 1.00 0.00 H new ATOM 171 N HIS A 50 14.823 2.457 -1.606 1.00 0.00 N ATOM 172 CA HIS A 50 14.458 1.619 -2.767 1.00 0.00 C ATOM 173 C HIS A 50 15.710 1.188 -3.486 1.00 0.00 C ATOM 174 O HIS A 50 15.831 0.068 -3.943 1.00 0.00 O ATOM 175 CB HIS A 50 13.595 2.395 -3.717 1.00 0.00 C ATOM 176 CG HIS A 50 12.235 2.590 -3.126 1.00 0.00 C ATOM 177 ND1 HIS A 50 11.123 2.589 -3.768 1.00 0.00 N ATOM 178 CD2 HIS A 50 11.899 2.794 -1.830 1.00 0.00 C ATOM 179 CE1 HIS A 50 10.161 2.775 -2.933 1.00 0.00 C ATOM 180 NE2 HIS A 50 10.593 2.909 -1.702 1.00 0.00 N ATOM 0 H HIS A 50 14.330 3.347 -1.533 1.00 0.00 H new ATOM 0 HA HIS A 50 13.909 0.747 -2.412 1.00 0.00 H new ATOM 0 HB2 HIS A 50 14.051 3.362 -3.929 1.00 0.00 H new ATOM 0 HB3 HIS A 50 13.516 1.865 -4.666 1.00 0.00 H new ATOM 0 HD1 HIS A 50 11.019 2.462 -4.775 1.00 0.00 H new ATOM 0 HD2 HIS A 50 12.604 2.854 -1.014 1.00 0.00 H new ATOM 0 HE1 HIS A 50 9.119 2.816 -3.214 1.00 0.00 H new ATOM 188 N ALA A 51 16.604 2.133 -3.553 1.00 0.00 N ATOM 189 CA ALA A 51 17.884 1.897 -4.211 1.00 0.00 C ATOM 190 C ALA A 51 18.537 0.740 -3.465 1.00 0.00 C ATOM 191 O ALA A 51 19.148 -0.138 -4.041 1.00 0.00 O ATOM 192 CB ALA A 51 18.706 3.161 -4.115 1.00 0.00 C ATOM 0 H ALA A 51 16.485 3.070 -3.168 1.00 0.00 H new ATOM 0 HA ALA A 51 17.784 1.646 -5.267 1.00 0.00 H new ATOM 0 HB1 ALA A 51 19.669 3.007 -4.602 1.00 0.00 H new ATOM 0 HB2 ALA A 51 18.177 3.977 -4.608 1.00 0.00 H new ATOM 0 HB3 ALA A 51 18.865 3.413 -3.066 1.00 0.00 H new ATOM 198 N GLU A 52 18.377 0.803 -2.170 1.00 0.00 N ATOM 199 CA GLU A 52 18.917 -0.213 -1.270 1.00 0.00 C ATOM 200 C GLU A 52 18.108 -1.548 -1.281 1.00 0.00 C ATOM 201 O GLU A 52 18.736 -2.547 -1.561 1.00 0.00 O ATOM 202 CB GLU A 52 18.930 0.431 0.069 1.00 0.00 C ATOM 203 CG GLU A 52 20.137 -0.065 0.847 1.00 0.00 C ATOM 204 CD GLU A 52 21.401 0.421 0.131 1.00 0.00 C ATOM 205 OE1 GLU A 52 21.540 1.630 0.022 1.00 0.00 O ATOM 206 OE2 GLU A 52 22.151 -0.454 -0.266 1.00 0.00 O ATOM 0 H GLU A 52 17.872 1.553 -1.698 1.00 0.00 H new ATOM 0 HA GLU A 52 19.913 -0.523 -1.585 1.00 0.00 H new ATOM 0 HB2 GLU A 52 18.970 1.515 -0.036 1.00 0.00 H new ATOM 0 HB3 GLU A 52 18.012 0.196 0.608 1.00 0.00 H new ATOM 0 HG2 GLU A 52 20.111 0.311 1.870 1.00 0.00 H new ATOM 0 HG3 GLU A 52 20.129 -1.153 0.908 1.00 0.00 H new ATOM 213 N PHE A 53 16.806 -1.546 -0.972 1.00 0.00 N ATOM 214 CA PHE A 53 15.856 -2.693 -0.938 1.00 0.00 C ATOM 215 C PHE A 53 16.397 -3.799 -1.783 1.00 0.00 C ATOM 216 O PHE A 53 16.478 -4.962 -1.449 1.00 0.00 O ATOM 217 CB PHE A 53 14.605 -2.170 -1.469 1.00 0.00 C ATOM 218 CG PHE A 53 13.411 -2.715 -0.813 1.00 0.00 C ATOM 219 CD1 PHE A 53 12.944 -2.090 0.283 1.00 0.00 C ATOM 220 CD2 PHE A 53 12.789 -3.830 -1.262 1.00 0.00 C ATOM 221 CE1 PHE A 53 11.921 -2.517 0.941 1.00 0.00 C ATOM 222 CE2 PHE A 53 11.704 -4.298 -0.604 1.00 0.00 C ATOM 223 CZ PHE A 53 11.308 -3.599 0.518 1.00 0.00 C ATOM 0 H PHE A 53 16.339 -0.676 -0.716 1.00 0.00 H new ATOM 0 HA PHE A 53 15.708 -3.101 0.062 1.00 0.00 H new ATOM 0 HB2 PHE A 53 14.602 -1.085 -1.365 1.00 0.00 H new ATOM 0 HB3 PHE A 53 14.554 -2.388 -2.536 1.00 0.00 H new ATOM 0 HD1 PHE A 53 13.445 -1.196 0.625 1.00 0.00 H new ATOM 0 HD2 PHE A 53 13.156 -4.342 -2.139 1.00 0.00 H new ATOM 0 HE1 PHE A 53 11.575 -1.996 1.822 1.00 0.00 H new ATOM 0 HE2 PHE A 53 11.173 -5.176 -0.940 1.00 0.00 H new ATOM 0 HZ PHE A 53 10.455 -3.958 1.074 1.00 0.00 H new ATOM 233 N ASP A 54 16.734 -3.230 -2.897 1.00 0.00 N ATOM 234 CA ASP A 54 17.331 -3.916 -4.063 1.00 0.00 C ATOM 235 C ASP A 54 18.622 -4.629 -3.659 1.00 0.00 C ATOM 236 O ASP A 54 19.714 -4.137 -3.870 1.00 0.00 O ATOM 237 CB ASP A 54 17.517 -2.810 -5.058 1.00 0.00 C ATOM 238 CG ASP A 54 18.464 -3.165 -6.202 1.00 0.00 C ATOM 239 OD1 ASP A 54 18.367 -4.272 -6.703 1.00 0.00 O ATOM 240 OD2 ASP A 54 19.239 -2.276 -6.513 1.00 0.00 O ATOM 0 H ASP A 54 16.606 -2.230 -3.054 1.00 0.00 H new ATOM 0 HA ASP A 54 16.719 -4.713 -4.485 1.00 0.00 H new ATOM 0 HB2 ASP A 54 16.546 -2.540 -5.473 1.00 0.00 H new ATOM 0 HB3 ASP A 54 17.899 -1.930 -4.542 1.00 0.00 H new ATOM 245 N GLY A 55 18.430 -5.783 -3.078 1.00 0.00 N ATOM 246 CA GLY A 55 19.564 -6.621 -2.614 1.00 0.00 C ATOM 247 C GLY A 55 19.250 -7.103 -1.192 1.00 0.00 C ATOM 248 O GLY A 55 19.163 -8.292 -0.962 1.00 0.00 O ATOM 0 H GLY A 55 17.509 -6.186 -2.903 1.00 0.00 H new ATOM 0 HA2 GLY A 55 19.707 -7.471 -3.281 1.00 0.00 H new ATOM 0 HA3 GLY A 55 20.491 -6.047 -2.625 1.00 0.00 H new ATOM 252 N LYS A 56 19.096 -6.158 -0.298 1.00 0.00 N ATOM 253 CA LYS A 56 18.784 -6.427 1.139 1.00 0.00 C ATOM 254 C LYS A 56 18.082 -7.676 1.631 1.00 0.00 C ATOM 255 O LYS A 56 17.367 -8.379 0.944 1.00 0.00 O ATOM 256 CB LYS A 56 17.982 -5.303 1.683 1.00 0.00 C ATOM 257 CG LYS A 56 18.875 -4.109 1.811 1.00 0.00 C ATOM 258 CD LYS A 56 18.410 -3.407 3.092 1.00 0.00 C ATOM 259 CE LYS A 56 19.271 -2.201 3.405 1.00 0.00 C ATOM 260 NZ LYS A 56 18.874 -1.646 4.731 1.00 0.00 N ATOM 0 H LYS A 56 19.178 -5.166 -0.518 1.00 0.00 H new ATOM 0 HA LYS A 56 19.807 -6.572 1.486 1.00 0.00 H new ATOM 0 HB2 LYS A 56 17.143 -5.081 1.024 1.00 0.00 H new ATOM 0 HB3 LYS A 56 17.563 -5.570 2.653 1.00 0.00 H new ATOM 0 HG2 LYS A 56 19.922 -4.404 1.879 1.00 0.00 H new ATOM 0 HG3 LYS A 56 18.785 -3.453 0.945 1.00 0.00 H new ATOM 0 HD2 LYS A 56 17.371 -3.096 2.981 1.00 0.00 H new ATOM 0 HD3 LYS A 56 18.446 -4.108 3.926 1.00 0.00 H new ATOM 0 HE2 LYS A 56 20.324 -2.484 3.416 1.00 0.00 H new ATOM 0 HE3 LYS A 56 19.153 -1.444 2.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 18.684 -0.628 4.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 18.016 -2.129 5.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 19.644 -1.794 5.414 1.00 0.00 H new ATOM 274 N GLU A 57 18.355 -7.879 2.888 1.00 0.00 N ATOM 275 CA GLU A 57 17.775 -9.046 3.607 1.00 0.00 C ATOM 276 C GLU A 57 16.534 -8.607 4.362 1.00 0.00 C ATOM 277 O GLU A 57 16.385 -7.439 4.639 1.00 0.00 O ATOM 278 CB GLU A 57 18.742 -9.552 4.553 1.00 0.00 C ATOM 279 CG GLU A 57 19.957 -10.107 3.813 1.00 0.00 C ATOM 280 CD GLU A 57 21.196 -9.622 4.558 1.00 0.00 C ATOM 281 OE1 GLU A 57 21.431 -8.429 4.463 1.00 0.00 O ATOM 282 OE2 GLU A 57 21.824 -10.466 5.175 1.00 0.00 O ATOM 0 H GLU A 57 18.960 -7.282 3.453 1.00 0.00 H new ATOM 0 HA GLU A 57 17.516 -9.823 2.888 1.00 0.00 H new ATOM 0 HB2 GLU A 57 19.051 -8.756 5.230 1.00 0.00 H new ATOM 0 HB3 GLU A 57 18.290 -10.333 5.164 1.00 0.00 H new ATOM 0 HG2 GLU A 57 19.926 -11.196 3.785 1.00 0.00 H new ATOM 0 HG3 GLU A 57 19.969 -9.762 2.779 1.00 0.00 H new ATOM 289 N ASN A 58 15.682 -9.533 4.680 1.00 0.00 N ATOM 290 CA ASN A 58 14.436 -9.257 5.413 1.00 0.00 C ATOM 291 C ASN A 58 14.545 -8.218 6.521 1.00 0.00 C ATOM 292 O ASN A 58 13.962 -7.155 6.552 1.00 0.00 O ATOM 293 CB ASN A 58 14.009 -10.523 5.993 1.00 0.00 C ATOM 294 CG ASN A 58 13.439 -11.436 4.902 1.00 0.00 C ATOM 295 OD1 ASN A 58 14.103 -11.759 3.938 1.00 0.00 O ATOM 296 ND2 ASN A 58 12.217 -11.876 5.017 1.00 0.00 N ATOM 0 H ASN A 58 15.812 -10.517 4.446 1.00 0.00 H new ATOM 0 HA ASN A 58 13.728 -8.833 4.702 1.00 0.00 H new ATOM 0 HB2 ASN A 58 14.852 -11.011 6.482 1.00 0.00 H new ATOM 0 HB3 ASN A 58 13.255 -10.345 6.760 1.00 0.00 H new ATOM 0 HD21 ASN A 58 11.825 -12.487 4.300 1.00 0.00 H new ATOM 0 HD22 ASN A 58 11.653 -11.609 5.824 1.00 0.00 H new ATOM 303 N GLU A 59 15.366 -8.702 7.394 1.00 0.00 N ATOM 304 CA GLU A 59 15.848 -8.142 8.667 1.00 0.00 C ATOM 305 C GLU A 59 15.920 -6.648 8.674 1.00 0.00 C ATOM 306 O GLU A 59 15.479 -5.876 9.504 1.00 0.00 O ATOM 307 CB GLU A 59 17.176 -8.714 8.810 1.00 0.00 C ATOM 308 CG GLU A 59 17.729 -8.654 10.228 1.00 0.00 C ATOM 309 CD GLU A 59 19.205 -9.057 10.161 1.00 0.00 C ATOM 310 OE1 GLU A 59 19.441 -10.186 9.761 1.00 0.00 O ATOM 311 OE2 GLU A 59 20.006 -8.204 10.509 1.00 0.00 O ATOM 0 H GLU A 59 15.783 -9.619 7.233 1.00 0.00 H new ATOM 0 HA GLU A 59 15.168 -8.383 9.484 1.00 0.00 H new ATOM 0 HB2 GLU A 59 17.149 -9.754 8.486 1.00 0.00 H new ATOM 0 HB3 GLU A 59 17.860 -8.190 8.142 1.00 0.00 H new ATOM 0 HG2 GLU A 59 17.623 -7.650 10.639 1.00 0.00 H new ATOM 0 HG3 GLU A 59 17.177 -9.327 10.884 1.00 0.00 H new ATOM 318 N GLU A 60 16.567 -6.428 7.588 1.00 0.00 N ATOM 319 CA GLU A 60 16.987 -5.182 7.034 1.00 0.00 C ATOM 320 C GLU A 60 15.908 -4.387 6.360 1.00 0.00 C ATOM 321 O GLU A 60 15.709 -3.241 6.673 1.00 0.00 O ATOM 322 CB GLU A 60 18.091 -5.630 6.148 1.00 0.00 C ATOM 323 CG GLU A 60 19.358 -4.972 6.548 1.00 0.00 C ATOM 324 CD GLU A 60 20.495 -5.636 5.772 1.00 0.00 C ATOM 325 OE1 GLU A 60 20.553 -5.412 4.574 1.00 0.00 O ATOM 326 OE2 GLU A 60 21.236 -6.343 6.436 1.00 0.00 O ATOM 0 H GLU A 60 16.850 -7.206 6.993 1.00 0.00 H new ATOM 0 HA GLU A 60 17.294 -4.450 7.781 1.00 0.00 H new ATOM 0 HB2 GLU A 60 18.199 -6.713 6.207 1.00 0.00 H new ATOM 0 HB3 GLU A 60 17.857 -5.389 5.111 1.00 0.00 H new ATOM 0 HG2 GLU A 60 19.319 -3.905 6.330 1.00 0.00 H new ATOM 0 HG3 GLU A 60 19.518 -5.073 7.621 1.00 0.00 H new ATOM 333 N LEU A 61 15.232 -5.036 5.468 1.00 0.00 N ATOM 334 CA LEU A 61 14.152 -4.524 4.666 1.00 0.00 C ATOM 335 C LEU A 61 13.121 -3.949 5.649 1.00 0.00 C ATOM 336 O LEU A 61 12.301 -3.097 5.370 1.00 0.00 O ATOM 337 CB LEU A 61 13.833 -5.763 3.856 1.00 0.00 C ATOM 338 CG LEU A 61 13.156 -5.468 2.564 1.00 0.00 C ATOM 339 CD1 LEU A 61 11.953 -4.812 3.092 1.00 0.00 C ATOM 340 CD2 LEU A 61 14.019 -4.438 1.739 1.00 0.00 C ATOM 0 H LEU A 61 15.431 -6.015 5.260 1.00 0.00 H new ATOM 0 HA LEU A 61 14.289 -3.691 3.976 1.00 0.00 H new ATOM 0 HB2 LEU A 61 14.757 -6.306 3.657 1.00 0.00 H new ATOM 0 HB3 LEU A 61 13.198 -6.421 4.448 1.00 0.00 H new ATOM 0 HG LEU A 61 12.984 -6.316 1.901 1.00 0.00 H new ATOM 0 HD11 LEU A 61 11.309 -4.513 2.265 1.00 0.00 H new ATOM 0 HD12 LEU A 61 11.415 -5.505 3.739 1.00 0.00 H new ATOM 0 HD13 LEU A 61 12.241 -3.931 3.665 1.00 0.00 H new ATOM 0 HD21 LEU A 61 13.522 -4.223 0.793 1.00 0.00 H new ATOM 0 HD22 LEU A 61 14.128 -3.516 2.310 1.00 0.00 H new ATOM 0 HD23 LEU A 61 15.004 -4.863 1.543 1.00 0.00 H new ATOM 352 N GLU A 62 13.197 -4.490 6.819 1.00 0.00 N ATOM 353 CA GLU A 62 12.374 -4.174 7.928 1.00 0.00 C ATOM 354 C GLU A 62 12.867 -2.992 8.724 1.00 0.00 C ATOM 355 O GLU A 62 12.126 -2.114 9.092 1.00 0.00 O ATOM 356 CB GLU A 62 12.403 -5.371 8.708 1.00 0.00 C ATOM 357 CG GLU A 62 11.419 -6.336 8.204 1.00 0.00 C ATOM 358 CD GLU A 62 9.965 -5.878 8.407 1.00 0.00 C ATOM 359 OE1 GLU A 62 9.770 -4.912 9.133 1.00 0.00 O ATOM 360 OE2 GLU A 62 9.123 -6.535 7.815 1.00 0.00 O ATOM 0 H GLU A 62 13.884 -5.213 7.035 1.00 0.00 H new ATOM 0 HA GLU A 62 11.374 -3.876 7.614 1.00 0.00 H new ATOM 0 HB2 GLU A 62 13.401 -5.809 8.676 1.00 0.00 H new ATOM 0 HB3 GLU A 62 12.191 -5.138 9.751 1.00 0.00 H new ATOM 0 HG2 GLU A 62 11.595 -6.504 7.142 1.00 0.00 H new ATOM 0 HG3 GLU A 62 11.566 -7.292 8.707 1.00 0.00 H new ATOM 367 N ALA A 63 14.133 -3.058 8.971 1.00 0.00 N ATOM 368 CA ALA A 63 14.868 -2.047 9.724 1.00 0.00 C ATOM 369 C ALA A 63 14.298 -0.771 9.183 1.00 0.00 C ATOM 370 O ALA A 63 13.934 0.141 9.897 1.00 0.00 O ATOM 371 CB ALA A 63 16.331 -2.204 9.417 1.00 0.00 C ATOM 0 H ALA A 63 14.718 -3.831 8.654 1.00 0.00 H new ATOM 0 HA ALA A 63 14.778 -2.101 10.809 1.00 0.00 H new ATOM 0 HB1 ALA A 63 16.901 -1.457 9.970 1.00 0.00 H new ATOM 0 HB2 ALA A 63 16.659 -3.201 9.710 1.00 0.00 H new ATOM 0 HB3 ALA A 63 16.495 -2.067 8.348 1.00 0.00 H new ATOM 377 N LEU A 64 14.254 -0.796 7.879 1.00 0.00 N ATOM 378 CA LEU A 64 13.721 0.341 7.153 1.00 0.00 C ATOM 379 C LEU A 64 12.284 0.522 6.920 1.00 0.00 C ATOM 380 O LEU A 64 11.850 1.631 6.706 1.00 0.00 O ATOM 381 CB LEU A 64 14.380 0.410 5.862 1.00 0.00 C ATOM 382 CG LEU A 64 14.078 -0.826 5.082 1.00 0.00 C ATOM 383 CD1 LEU A 64 12.953 -0.743 4.019 1.00 0.00 C ATOM 384 CD2 LEU A 64 15.428 -1.238 4.683 1.00 0.00 C ATOM 0 H LEU A 64 14.573 -1.572 7.299 1.00 0.00 H new ATOM 0 HA LEU A 64 13.927 1.139 7.866 1.00 0.00 H new ATOM 0 HB2 LEU A 64 14.041 1.290 5.315 1.00 0.00 H new ATOM 0 HB3 LEU A 64 15.457 0.514 5.997 1.00 0.00 H new ATOM 0 HG LEU A 64 13.564 -1.604 5.646 1.00 0.00 H new ATOM 0 HD11 LEU A 64 12.842 -1.711 3.530 1.00 0.00 H new ATOM 0 HD12 LEU A 64 12.015 -0.471 4.503 1.00 0.00 H new ATOM 0 HD13 LEU A 64 13.210 0.011 3.275 1.00 0.00 H new ATOM 0 HD21 LEU A 64 15.370 -2.151 4.091 1.00 0.00 H new ATOM 0 HD22 LEU A 64 15.888 -0.449 4.088 1.00 0.00 H new ATOM 0 HD23 LEU A 64 16.031 -1.420 5.573 1.00 0.00 H new ATOM 396 N ASN A 65 11.672 -0.604 6.998 1.00 0.00 N ATOM 397 CA ASN A 65 10.199 -0.760 6.772 1.00 0.00 C ATOM 398 C ASN A 65 9.515 0.622 6.731 1.00 0.00 C ATOM 399 O ASN A 65 9.168 1.315 7.668 1.00 0.00 O ATOM 400 CB ASN A 65 9.568 -1.682 7.897 1.00 0.00 C ATOM 401 CG ASN A 65 9.411 -1.145 9.341 1.00 0.00 C ATOM 402 OD1 ASN A 65 10.080 -1.547 10.270 1.00 0.00 O ATOM 403 ND2 ASN A 65 8.522 -0.228 9.590 1.00 0.00 N ATOM 0 H ASN A 65 12.145 -1.480 7.221 1.00 0.00 H new ATOM 0 HA ASN A 65 10.035 -1.243 5.809 1.00 0.00 H new ATOM 0 HB2 ASN A 65 8.578 -1.981 7.553 1.00 0.00 H new ATOM 0 HB3 ASN A 65 10.173 -2.587 7.952 1.00 0.00 H new ATOM 0 HD21 ASN A 65 8.407 0.127 10.539 1.00 0.00 H new ATOM 0 HD22 ASN A 65 7.940 0.136 8.836 1.00 0.00 H new ATOM 410 N ILE A 66 9.390 0.897 5.461 1.00 0.00 N ATOM 411 CA ILE A 66 8.813 2.114 4.787 1.00 0.00 C ATOM 412 C ILE A 66 8.107 1.066 4.032 1.00 0.00 C ATOM 413 O ILE A 66 8.376 0.448 3.014 1.00 0.00 O ATOM 414 CB ILE A 66 10.058 2.687 4.291 1.00 0.00 C ATOM 415 CG1 ILE A 66 9.916 4.182 4.070 1.00 0.00 C ATOM 416 CG2 ILE A 66 10.752 1.992 3.065 1.00 0.00 C ATOM 417 CD1 ILE A 66 8.933 4.480 2.943 1.00 0.00 C ATOM 0 H ILE A 66 9.714 0.225 4.765 1.00 0.00 H new ATOM 0 HA ILE A 66 8.230 2.981 5.099 1.00 0.00 H new ATOM 0 HB ILE A 66 10.758 2.480 5.101 1.00 0.00 H new ATOM 0 HG12 ILE A 66 9.575 4.658 4.989 1.00 0.00 H new ATOM 0 HG13 ILE A 66 10.889 4.611 3.831 1.00 0.00 H new ATOM 0 HG21 ILE A 66 11.665 2.530 2.811 1.00 0.00 H new ATOM 0 HG22 ILE A 66 10.997 0.961 3.322 1.00 0.00 H new ATOM 0 HG23 ILE A 66 10.076 2.002 2.210 1.00 0.00 H new ATOM 0 HD11 ILE A 66 8.851 5.558 2.807 1.00 0.00 H new ATOM 0 HD12 ILE A 66 9.289 4.024 2.019 1.00 0.00 H new ATOM 0 HD13 ILE A 66 7.955 4.071 3.196 1.00 0.00 H new ATOM 429 N GLU A 67 7.087 0.923 4.747 1.00 0.00 N ATOM 430 CA GLU A 67 6.145 -0.058 4.342 1.00 0.00 C ATOM 431 C GLU A 67 5.126 0.320 3.262 1.00 0.00 C ATOM 432 O GLU A 67 4.825 -0.161 2.194 1.00 0.00 O ATOM 433 CB GLU A 67 5.514 -0.473 5.702 1.00 0.00 C ATOM 434 CG GLU A 67 6.576 -1.065 6.575 1.00 0.00 C ATOM 435 CD GLU A 67 5.968 -1.412 7.931 1.00 0.00 C ATOM 436 OE1 GLU A 67 5.678 -0.465 8.641 1.00 0.00 O ATOM 437 OE2 GLU A 67 5.823 -2.597 8.179 1.00 0.00 O ATOM 0 H GLU A 67 6.866 1.445 5.595 1.00 0.00 H new ATOM 0 HA GLU A 67 6.634 -0.865 3.796 1.00 0.00 H new ATOM 0 HB2 GLU A 67 5.067 0.394 6.189 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.714 -1.196 5.540 1.00 0.00 H new ATOM 0 HG2 GLU A 67 6.992 -1.958 6.109 1.00 0.00 H new ATOM 0 HG3 GLU A 67 7.397 -0.359 6.700 1.00 0.00 H new ATOM 444 N VAL A 68 4.716 1.354 3.777 1.00 0.00 N ATOM 445 CA VAL A 68 3.696 2.305 3.390 1.00 0.00 C ATOM 446 C VAL A 68 3.380 2.456 2.003 1.00 0.00 C ATOM 447 O VAL A 68 3.899 1.862 1.100 1.00 0.00 O ATOM 448 CB VAL A 68 4.173 3.580 3.776 1.00 0.00 C ATOM 449 CG1 VAL A 68 4.356 3.560 5.148 1.00 0.00 C ATOM 450 CG2 VAL A 68 5.498 3.776 3.013 1.00 0.00 C ATOM 0 H VAL A 68 5.139 1.656 4.654 1.00 0.00 H new ATOM 0 HA VAL A 68 2.792 1.920 3.863 1.00 0.00 H new ATOM 0 HB VAL A 68 3.493 4.399 3.544 1.00 0.00 H new ATOM 0 HG11 VAL A 68 4.724 4.531 5.480 1.00 0.00 H new ATOM 0 HG12 VAL A 68 3.407 3.345 5.639 1.00 0.00 H new ATOM 0 HG13 VAL A 68 5.081 2.789 5.407 1.00 0.00 H new ATOM 0 HG21 VAL A 68 5.923 4.747 3.266 1.00 0.00 H new ATOM 0 HG22 VAL A 68 6.199 2.989 3.292 1.00 0.00 H new ATOM 0 HG23 VAL A 68 5.310 3.731 1.940 1.00 0.00 H new ATOM 460 N ALA A 69 2.349 3.225 2.038 1.00 0.00 N ATOM 461 CA ALA A 69 1.663 3.662 0.839 1.00 0.00 C ATOM 462 C ALA A 69 0.705 4.551 0.071 1.00 0.00 C ATOM 463 O ALA A 69 1.112 5.296 -0.788 1.00 0.00 O ATOM 464 CB ALA A 69 1.252 2.551 0.184 1.00 0.00 C ATOM 0 H ALA A 69 1.941 3.581 2.902 1.00 0.00 H new ATOM 0 HA ALA A 69 2.357 4.466 1.084 1.00 0.00 H new ATOM 0 HB1 ALA A 69 0.729 2.839 -0.728 1.00 0.00 H new ATOM 0 HB2 ALA A 69 2.117 1.938 -0.071 1.00 0.00 H new ATOM 0 HB3 ALA A 69 0.579 1.980 0.823 1.00 0.00 H new ATOM 470 N VAL A 70 -0.562 4.367 0.417 1.00 0.00 N ATOM 471 CA VAL A 70 -1.685 5.103 -0.236 1.00 0.00 C ATOM 472 C VAL A 70 -2.906 5.823 0.273 1.00 0.00 C ATOM 473 O VAL A 70 -3.700 5.432 1.099 1.00 0.00 O ATOM 474 CB VAL A 70 -2.297 4.239 -1.243 1.00 0.00 C ATOM 475 CG1 VAL A 70 -1.256 3.923 -2.190 1.00 0.00 C ATOM 476 CG2 VAL A 70 -2.698 2.896 -0.583 1.00 0.00 C ATOM 0 H VAL A 70 -0.859 3.717 1.145 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.015 5.954 -0.357 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.163 4.725 -1.693 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -1.658 3.276 -2.970 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -0.881 4.843 -2.639 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -0.441 3.411 -1.678 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -3.155 2.246 -1.329 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.811 2.412 -0.175 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -3.410 3.084 0.220 1.00 0.00 H new ATOM 486 N ALA A 71 -2.999 6.940 -0.346 1.00 0.00 N ATOM 487 CA ALA A 71 -4.091 7.883 -0.112 1.00 0.00 C ATOM 488 C ALA A 71 -4.831 7.855 -1.411 1.00 0.00 C ATOM 489 O ALA A 71 -4.398 7.223 -2.355 1.00 0.00 O ATOM 490 CB ALA A 71 -3.489 9.261 0.161 1.00 0.00 C ATOM 0 H ALA A 71 -2.324 7.254 -1.043 1.00 0.00 H new ATOM 0 HA ALA A 71 -4.735 7.646 0.735 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -4.290 9.979 0.338 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -2.846 9.210 1.040 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -2.901 9.578 -0.700 1.00 0.00 H new ATOM 496 N GLY A 72 -5.931 8.537 -1.435 1.00 0.00 N ATOM 497 CA GLY A 72 -6.663 8.515 -2.746 1.00 0.00 C ATOM 498 C GLY A 72 -7.689 7.397 -2.684 1.00 0.00 C ATOM 499 O GLY A 72 -8.496 7.466 -1.771 1.00 0.00 O ATOM 0 H GLY A 72 -6.343 9.076 -0.673 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -7.151 9.472 -2.927 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -5.968 8.351 -3.569 1.00 0.00 H new ATOM 503 N ARG A 73 -7.526 6.482 -3.649 1.00 0.00 N ATOM 504 CA ARG A 73 -8.339 5.228 -3.923 1.00 0.00 C ATOM 505 C ARG A 73 -8.873 4.883 -5.345 1.00 0.00 C ATOM 506 O ARG A 73 -8.906 5.676 -6.258 1.00 0.00 O ATOM 507 CB ARG A 73 -9.499 5.270 -2.949 1.00 0.00 C ATOM 508 CG ARG A 73 -10.735 4.442 -3.268 1.00 0.00 C ATOM 509 CD ARG A 73 -11.582 5.388 -4.152 1.00 0.00 C ATOM 510 NE ARG A 73 -12.530 4.637 -5.023 1.00 0.00 N ATOM 511 CZ ARG A 73 -12.652 4.950 -6.290 1.00 0.00 C ATOM 512 NH1 ARG A 73 -12.081 6.022 -6.782 1.00 0.00 N ATOM 513 NH2 ARG A 73 -13.363 4.168 -7.054 1.00 0.00 N ATOM 0 H ARG A 73 -6.770 6.581 -4.327 1.00 0.00 H new ATOM 0 HA ARG A 73 -7.610 4.425 -3.809 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -9.128 4.952 -1.975 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -9.811 6.309 -2.848 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -10.478 3.523 -3.795 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -11.269 4.152 -2.363 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -12.140 6.075 -3.516 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -10.921 5.993 -4.772 1.00 0.00 H new ATOM 0 HE ARG A 73 -13.086 3.877 -4.632 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -11.530 6.630 -6.176 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -12.188 6.248 -7.771 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -13.807 3.338 -6.662 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -13.475 4.387 -8.044 1.00 0.00 H new ATOM 527 N MET A 74 -9.240 3.628 -5.430 1.00 0.00 N ATOM 528 CA MET A 74 -9.843 2.917 -6.613 1.00 0.00 C ATOM 529 C MET A 74 -10.589 1.930 -5.774 1.00 0.00 C ATOM 530 O MET A 74 -11.795 1.913 -5.652 1.00 0.00 O ATOM 531 CB MET A 74 -8.922 2.132 -7.591 1.00 0.00 C ATOM 532 CG MET A 74 -9.856 1.518 -8.637 1.00 0.00 C ATOM 533 SD MET A 74 -9.341 -0.048 -9.388 1.00 0.00 S ATOM 534 CE MET A 74 -8.443 0.628 -10.803 1.00 0.00 C ATOM 0 H MET A 74 -9.132 2.999 -4.634 1.00 0.00 H new ATOM 0 HA MET A 74 -10.326 3.595 -7.316 1.00 0.00 H new ATOM 0 HB2 MET A 74 -8.192 2.794 -8.058 1.00 0.00 H new ATOM 0 HB3 MET A 74 -8.361 1.359 -7.065 1.00 0.00 H new ATOM 0 HG2 MET A 74 -10.830 1.366 -8.172 1.00 0.00 H new ATOM 0 HG3 MET A 74 -9.994 2.247 -9.436 1.00 0.00 H new ATOM 0 HE1 MET A 74 -8.041 -0.189 -11.402 1.00 0.00 H new ATOM 0 HE2 MET A 74 -9.121 1.226 -11.412 1.00 0.00 H new ATOM 0 HE3 MET A 74 -7.625 1.255 -10.449 1.00 0.00 H new ATOM 544 N MET A 75 -9.665 1.186 -5.267 1.00 0.00 N ATOM 545 CA MET A 75 -9.764 0.034 -4.312 1.00 0.00 C ATOM 546 C MET A 75 -9.561 -1.408 -4.762 1.00 0.00 C ATOM 547 O MET A 75 -9.336 -2.250 -3.919 1.00 0.00 O ATOM 548 CB MET A 75 -11.143 0.043 -3.627 1.00 0.00 C ATOM 549 CG MET A 75 -12.205 -0.551 -4.574 1.00 0.00 C ATOM 550 SD MET A 75 -12.625 -2.297 -4.350 1.00 0.00 S ATOM 551 CE MET A 75 -14.424 -2.124 -4.453 1.00 0.00 C ATOM 0 H MET A 75 -8.691 1.357 -5.515 1.00 0.00 H new ATOM 0 HA MET A 75 -8.889 0.250 -3.700 1.00 0.00 H new ATOM 0 HB2 MET A 75 -11.103 -0.535 -2.703 1.00 0.00 H new ATOM 0 HB3 MET A 75 -11.416 1.062 -3.354 1.00 0.00 H new ATOM 0 HG2 MET A 75 -13.119 0.033 -4.466 1.00 0.00 H new ATOM 0 HG3 MET A 75 -11.859 -0.415 -5.599 1.00 0.00 H new ATOM 0 HE1 MET A 75 -14.900 -2.938 -3.906 1.00 0.00 H new ATOM 0 HE2 MET A 75 -14.723 -1.170 -4.018 1.00 0.00 H new ATOM 0 HE3 MET A 75 -14.734 -2.160 -5.497 1.00 0.00 H new ATOM 561 N THR A 76 -9.651 -1.662 -6.034 1.00 0.00 N ATOM 562 CA THR A 76 -9.501 -3.090 -6.475 1.00 0.00 C ATOM 563 C THR A 76 -8.557 -3.823 -7.400 1.00 0.00 C ATOM 564 O THR A 76 -8.140 -3.374 -8.449 1.00 0.00 O ATOM 565 CB THR A 76 -10.857 -3.566 -6.912 1.00 0.00 C ATOM 566 OG1 THR A 76 -10.875 -4.899 -6.425 1.00 0.00 O ATOM 567 CG2 THR A 76 -10.943 -3.782 -8.395 1.00 0.00 C ATOM 0 H THR A 76 -9.816 -0.977 -6.771 1.00 0.00 H new ATOM 0 HA THR A 76 -8.938 -3.311 -5.568 1.00 0.00 H new ATOM 0 HB THR A 76 -11.623 -2.862 -6.587 1.00 0.00 H new ATOM 0 HG1 THR A 76 -11.730 -5.319 -6.654 1.00 0.00 H new ATOM 0 HG21 THR A 76 -11.944 -4.126 -8.655 1.00 0.00 H new ATOM 0 HG22 THR A 76 -10.735 -2.845 -8.912 1.00 0.00 H new ATOM 0 HG23 THR A 76 -10.212 -4.532 -8.696 1.00 0.00 H new ATOM 575 N ARG A 77 -8.228 -4.964 -6.904 1.00 0.00 N ATOM 576 CA ARG A 77 -7.353 -5.865 -7.693 1.00 0.00 C ATOM 577 C ARG A 77 -8.198 -7.139 -7.775 1.00 0.00 C ATOM 578 O ARG A 77 -8.745 -7.516 -8.791 1.00 0.00 O ATOM 579 CB ARG A 77 -5.966 -6.521 -7.303 1.00 0.00 C ATOM 580 CG ARG A 77 -5.421 -7.055 -8.643 1.00 0.00 C ATOM 581 CD ARG A 77 -5.295 -8.586 -8.622 1.00 0.00 C ATOM 582 NE ARG A 77 -4.736 -8.981 -9.947 1.00 0.00 N ATOM 583 CZ ARG A 77 -3.502 -9.404 -10.032 1.00 0.00 C ATOM 584 NH1 ARG A 77 -2.540 -8.526 -9.970 1.00 0.00 N ATOM 585 NH2 ARG A 77 -3.261 -10.679 -10.178 1.00 0.00 N ATOM 0 H ARG A 77 -8.520 -5.318 -5.993 1.00 0.00 H new ATOM 0 HA ARG A 77 -7.064 -5.170 -8.481 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -5.289 -5.791 -6.858 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -6.093 -7.322 -6.575 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -6.084 -6.753 -9.454 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -4.447 -6.610 -8.845 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -4.641 -8.911 -7.812 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -6.266 -9.053 -8.455 1.00 0.00 H new ATOM 0 HE ARG A 77 -5.315 -8.921 -10.785 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -2.759 -7.536 -9.858 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -1.568 -8.829 -10.034 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -4.035 -11.342 -10.225 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -2.299 -11.012 -10.245 1.00 0.00 H new ATOM 599 N ARG A 78 -8.190 -7.715 -6.573 1.00 0.00 N ATOM 600 CA ARG A 78 -8.823 -8.969 -6.027 1.00 0.00 C ATOM 601 C ARG A 78 -8.218 -10.352 -6.273 1.00 0.00 C ATOM 602 O ARG A 78 -7.990 -10.692 -7.419 1.00 0.00 O ATOM 603 CB ARG A 78 -10.283 -9.076 -6.468 1.00 0.00 C ATOM 604 CG ARG A 78 -10.572 -9.591 -7.932 1.00 0.00 C ATOM 605 CD ARG A 78 -11.645 -8.716 -8.633 1.00 0.00 C ATOM 606 NE ARG A 78 -12.632 -9.614 -9.311 1.00 0.00 N ATOM 607 CZ ARG A 78 -12.752 -9.610 -10.614 1.00 0.00 C ATOM 608 NH1 ARG A 78 -11.679 -9.687 -11.351 1.00 0.00 N ATOM 609 NH2 ARG A 78 -13.944 -9.534 -11.144 1.00 0.00 N ATOM 0 H ARG A 78 -7.664 -7.259 -5.828 1.00 0.00 H new ATOM 0 HA ARG A 78 -8.641 -8.784 -4.968 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -10.796 -9.740 -5.772 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -10.738 -8.091 -6.363 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -9.650 -9.577 -8.514 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -10.910 -10.627 -7.896 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -12.150 -8.082 -7.904 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -11.176 -8.054 -9.360 1.00 0.00 H new ATOM 0 HE ARG A 78 -13.217 -10.235 -8.752 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -10.761 -9.749 -10.911 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -11.758 -9.685 -12.368 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -14.767 -9.479 -10.543 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -14.052 -9.530 -12.158 1.00 0.00 H new ATOM 623 N ILE A 79 -7.958 -11.127 -5.224 1.00 0.00 N ATOM 624 CA ILE A 79 -7.395 -12.460 -5.520 1.00 0.00 C ATOM 625 C ILE A 79 -8.301 -13.639 -5.044 1.00 0.00 C ATOM 626 O ILE A 79 -8.712 -14.418 -5.879 1.00 0.00 O ATOM 627 CB ILE A 79 -5.990 -12.583 -4.913 1.00 0.00 C ATOM 628 CG1 ILE A 79 -5.345 -13.851 -5.521 1.00 0.00 C ATOM 629 CG2 ILE A 79 -6.066 -12.861 -3.474 1.00 0.00 C ATOM 630 CD1 ILE A 79 -5.097 -13.698 -7.036 1.00 0.00 C ATOM 0 H ILE A 79 -8.107 -10.895 -4.242 1.00 0.00 H new ATOM 0 HA ILE A 79 -7.339 -12.541 -6.606 1.00 0.00 H new ATOM 0 HB ILE A 79 -5.443 -11.660 -5.104 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -4.400 -14.056 -5.017 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -5.993 -14.709 -5.344 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -5.059 -12.944 -3.066 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -6.594 -12.049 -2.974 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -6.601 -13.797 -3.312 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -4.643 -14.610 -7.424 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -6.045 -13.520 -7.544 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -4.427 -12.856 -7.212 1.00 0.00 H new ATOM 642 N MET A 80 -8.606 -13.777 -3.768 1.00 0.00 N ATOM 643 CA MET A 80 -9.480 -14.914 -3.322 1.00 0.00 C ATOM 644 C MET A 80 -10.481 -14.493 -2.253 1.00 0.00 C ATOM 645 O MET A 80 -10.646 -15.126 -1.229 1.00 0.00 O ATOM 646 CB MET A 80 -8.589 -16.061 -2.785 1.00 0.00 C ATOM 647 CG MET A 80 -7.720 -15.622 -1.593 1.00 0.00 C ATOM 648 SD MET A 80 -6.541 -16.857 -0.992 1.00 0.00 S ATOM 649 CE MET A 80 -5.616 -17.106 -2.530 1.00 0.00 C ATOM 0 H MET A 80 -8.289 -13.156 -3.024 1.00 0.00 H new ATOM 0 HA MET A 80 -10.055 -15.250 -4.185 1.00 0.00 H new ATOM 0 HB2 MET A 80 -9.220 -16.896 -2.482 1.00 0.00 H new ATOM 0 HB3 MET A 80 -7.945 -16.423 -3.587 1.00 0.00 H new ATOM 0 HG2 MET A 80 -7.168 -14.727 -1.879 1.00 0.00 H new ATOM 0 HG3 MET A 80 -8.378 -15.342 -0.770 1.00 0.00 H new ATOM 0 HE1 MET A 80 -4.631 -17.513 -2.300 1.00 0.00 H new ATOM 0 HE2 MET A 80 -6.156 -17.803 -3.171 1.00 0.00 H new ATOM 0 HE3 MET A 80 -5.503 -16.152 -3.045 1.00 0.00 H new ATOM 659 N GLY A 81 -11.129 -13.406 -2.543 1.00 0.00 N ATOM 660 CA GLY A 81 -12.147 -12.880 -1.587 1.00 0.00 C ATOM 661 C GLY A 81 -11.520 -11.940 -0.553 1.00 0.00 C ATOM 662 O GLY A 81 -11.870 -10.781 -0.455 1.00 0.00 O ATOM 0 H GLY A 81 -11.003 -12.858 -3.394 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -12.924 -12.349 -2.138 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -12.631 -13.712 -1.076 1.00 0.00 H new ATOM 666 N LYS A 82 -10.598 -12.493 0.190 1.00 0.00 N ATOM 667 CA LYS A 82 -9.883 -11.723 1.249 1.00 0.00 C ATOM 668 C LYS A 82 -8.487 -11.524 0.695 1.00 0.00 C ATOM 669 O LYS A 82 -8.375 -11.785 -0.487 1.00 0.00 O ATOM 670 CB LYS A 82 -9.871 -12.550 2.539 1.00 0.00 C ATOM 671 CG LYS A 82 -11.323 -12.693 3.028 1.00 0.00 C ATOM 672 CD LYS A 82 -12.024 -13.924 2.415 1.00 0.00 C ATOM 673 CE LYS A 82 -11.469 -15.213 3.024 1.00 0.00 C ATOM 674 NZ LYS A 82 -12.283 -16.356 2.524 1.00 0.00 N ATOM 0 H LYS A 82 -10.305 -13.466 0.105 1.00 0.00 H new ATOM 0 HA LYS A 82 -10.348 -10.767 1.491 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -9.432 -13.531 2.358 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -9.260 -12.062 3.298 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -11.333 -12.775 4.115 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -11.882 -11.793 2.771 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -13.098 -13.864 2.592 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -11.878 -13.933 1.335 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -10.422 -15.343 2.748 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -11.509 -15.166 4.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -11.920 -17.243 2.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -13.275 -16.226 2.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -12.223 -16.398 1.487 1.00 0.00 H new ATOM 688 N ALA A 83 -7.518 -11.100 1.490 1.00 0.00 N ATOM 689 CA ALA A 83 -6.144 -10.877 0.977 1.00 0.00 C ATOM 690 C ALA A 83 -5.942 -11.273 -0.469 1.00 0.00 C ATOM 691 O ALA A 83 -5.623 -12.374 -0.863 1.00 0.00 O ATOM 692 CB ALA A 83 -5.257 -11.553 1.775 1.00 0.00 C ATOM 0 H ALA A 83 -7.638 -10.901 2.483 1.00 0.00 H new ATOM 0 HA ALA A 83 -5.971 -9.801 1.010 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -4.243 -11.396 1.407 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -5.333 -11.183 2.798 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -5.489 -12.618 1.756 1.00 0.00 H new ATOM 698 N SER A 84 -6.180 -10.166 -1.079 1.00 0.00 N ATOM 699 CA SER A 84 -6.231 -9.723 -2.527 1.00 0.00 C ATOM 700 C SER A 84 -5.005 -8.861 -2.719 1.00 0.00 C ATOM 701 O SER A 84 -4.195 -8.690 -1.836 1.00 0.00 O ATOM 702 CB SER A 84 -7.481 -8.925 -2.616 1.00 0.00 C ATOM 703 OG SER A 84 -8.509 -9.902 -2.577 1.00 0.00 O ATOM 0 H SER A 84 -6.392 -9.356 -0.497 1.00 0.00 H new ATOM 0 HA SER A 84 -6.235 -10.516 -3.275 1.00 0.00 H new ATOM 0 HB2 SER A 84 -7.566 -8.221 -1.788 1.00 0.00 H new ATOM 0 HB3 SER A 84 -7.518 -8.341 -3.536 1.00 0.00 H new ATOM 0 HG SER A 84 -9.008 -9.819 -1.737 1.00 0.00 H new ATOM 709 N PHE A 85 -4.905 -8.353 -3.897 1.00 0.00 N ATOM 710 CA PHE A 85 -3.801 -7.467 -4.255 1.00 0.00 C ATOM 711 C PHE A 85 -4.781 -6.366 -4.584 1.00 0.00 C ATOM 712 O PHE A 85 -5.947 -6.675 -4.670 1.00 0.00 O ATOM 713 CB PHE A 85 -3.092 -7.973 -5.485 1.00 0.00 C ATOM 714 CG PHE A 85 -2.290 -9.275 -5.265 1.00 0.00 C ATOM 715 CD1 PHE A 85 -1.003 -9.278 -4.734 1.00 0.00 C ATOM 716 CD2 PHE A 85 -2.860 -10.484 -5.621 1.00 0.00 C ATOM 717 CE1 PHE A 85 -0.304 -10.463 -4.566 1.00 0.00 C ATOM 718 CE2 PHE A 85 -2.167 -11.667 -5.456 1.00 0.00 C ATOM 719 CZ PHE A 85 -0.893 -11.660 -4.928 1.00 0.00 C ATOM 0 H PHE A 85 -5.570 -8.525 -4.651 1.00 0.00 H new ATOM 0 HA PHE A 85 -2.980 -7.280 -3.562 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -3.828 -8.142 -6.271 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -2.414 -7.199 -5.844 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -0.543 -8.344 -4.449 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -3.858 -10.503 -6.033 1.00 0.00 H new ATOM 0 HE1 PHE A 85 0.695 -10.451 -4.155 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -2.625 -12.602 -5.742 1.00 0.00 H new ATOM 0 HZ PHE A 85 -0.356 -12.588 -4.798 1.00 0.00 H new ATOM 729 N VAL A 86 -4.391 -5.140 -4.739 1.00 0.00 N ATOM 730 CA VAL A 86 -5.420 -4.106 -5.077 1.00 0.00 C ATOM 731 C VAL A 86 -4.940 -2.937 -5.854 1.00 0.00 C ATOM 732 O VAL A 86 -3.811 -2.527 -5.711 1.00 0.00 O ATOM 733 CB VAL A 86 -6.015 -3.657 -3.811 1.00 0.00 C ATOM 734 CG1 VAL A 86 -6.294 -2.173 -3.702 1.00 0.00 C ATOM 735 CG2 VAL A 86 -7.310 -4.485 -3.668 1.00 0.00 C ATOM 0 H VAL A 86 -3.432 -4.805 -4.651 1.00 0.00 H new ATOM 0 HA VAL A 86 -6.137 -4.583 -5.745 1.00 0.00 H new ATOM 0 HB VAL A 86 -5.300 -3.817 -3.004 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -6.732 -1.956 -2.728 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -5.362 -1.618 -3.813 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -6.989 -1.875 -4.487 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -7.818 -4.210 -2.744 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -7.965 -4.285 -4.516 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -7.062 -5.546 -3.644 1.00 0.00 H new ATOM 745 N THR A 87 -5.799 -2.407 -6.671 1.00 0.00 N ATOM 746 CA THR A 87 -5.324 -1.241 -7.424 1.00 0.00 C ATOM 747 C THR A 87 -6.206 -0.129 -6.925 1.00 0.00 C ATOM 748 O THR A 87 -7.381 -0.351 -6.663 1.00 0.00 O ATOM 749 CB THR A 87 -5.515 -1.453 -8.907 1.00 0.00 C ATOM 750 OG1 THR A 87 -5.115 -2.797 -9.141 1.00 0.00 O ATOM 751 CG2 THR A 87 -4.424 -0.615 -9.611 1.00 0.00 C ATOM 0 H THR A 87 -6.757 -2.714 -6.840 1.00 0.00 H new ATOM 0 HA THR A 87 -4.262 -1.040 -7.284 1.00 0.00 H new ATOM 0 HB THR A 87 -6.527 -1.214 -9.236 1.00 0.00 H new ATOM 0 HG1 THR A 87 -5.873 -3.397 -8.978 1.00 0.00 H new ATOM 0 HG21 THR A 87 -4.516 -0.732 -10.691 1.00 0.00 H new ATOM 0 HG22 THR A 87 -4.546 0.436 -9.348 1.00 0.00 H new ATOM 0 HG23 THR A 87 -3.440 -0.957 -9.291 1.00 0.00 H new ATOM 759 N LEU A 88 -5.510 0.978 -6.822 1.00 0.00 N ATOM 760 CA LEU A 88 -6.006 2.311 -6.371 1.00 0.00 C ATOM 761 C LEU A 88 -5.604 3.391 -7.361 1.00 0.00 C ATOM 762 O LEU A 88 -4.810 3.166 -8.258 1.00 0.00 O ATOM 763 CB LEU A 88 -5.366 2.700 -5.148 1.00 0.00 C ATOM 764 CG LEU A 88 -6.194 2.484 -3.950 1.00 0.00 C ATOM 765 CD1 LEU A 88 -5.837 1.135 -3.397 1.00 0.00 C ATOM 766 CD2 LEU A 88 -5.698 3.620 -3.090 1.00 0.00 C ATOM 0 H LEU A 88 -4.518 1.002 -7.059 1.00 0.00 H new ATOM 0 HA LEU A 88 -7.087 2.219 -6.266 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -4.436 2.141 -5.041 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.099 3.755 -5.208 1.00 0.00 H new ATOM 0 HG LEU A 88 -7.277 2.483 -4.070 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -6.432 0.938 -2.505 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -6.041 0.369 -4.146 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -4.778 1.116 -3.138 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -6.222 3.609 -2.134 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -4.628 3.506 -2.918 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -5.885 4.567 -3.595 1.00 0.00 H new ATOM 778 N GLN A 89 -6.167 4.549 -7.121 1.00 0.00 N ATOM 779 CA GLN A 89 -5.866 5.694 -8.002 1.00 0.00 C ATOM 780 C GLN A 89 -5.491 6.863 -7.096 1.00 0.00 C ATOM 781 O GLN A 89 -5.747 6.812 -5.911 1.00 0.00 O ATOM 782 CB GLN A 89 -7.072 6.111 -8.760 1.00 0.00 C ATOM 783 CG GLN A 89 -7.575 5.138 -9.806 1.00 0.00 C ATOM 784 CD GLN A 89 -8.946 5.660 -10.204 1.00 0.00 C ATOM 785 OE1 GLN A 89 -9.945 5.362 -9.580 1.00 0.00 O ATOM 786 NE2 GLN A 89 -9.030 6.455 -11.236 1.00 0.00 N ATOM 0 H GLN A 89 -6.815 4.740 -6.357 1.00 0.00 H new ATOM 0 HA GLN A 89 -5.076 5.416 -8.699 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -7.877 6.295 -8.048 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -6.857 7.060 -9.251 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -6.904 5.099 -10.664 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -7.639 4.126 -9.405 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -8.190 6.704 -11.758 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -9.936 6.828 -11.520 1.00 0.00 H new ATOM 795 N ASP A 90 -4.897 7.889 -7.642 1.00 0.00 N ATOM 796 CA ASP A 90 -4.550 9.027 -6.766 1.00 0.00 C ATOM 797 C ASP A 90 -4.593 10.204 -7.669 1.00 0.00 C ATOM 798 O ASP A 90 -4.930 10.091 -8.829 1.00 0.00 O ATOM 799 CB ASP A 90 -3.160 8.861 -6.203 1.00 0.00 C ATOM 800 CG ASP A 90 -2.081 8.668 -7.285 1.00 0.00 C ATOM 801 OD1 ASP A 90 -1.897 9.572 -8.084 1.00 0.00 O ATOM 802 OD2 ASP A 90 -1.484 7.607 -7.248 1.00 0.00 O ATOM 0 H ASP A 90 -4.646 7.983 -8.626 1.00 0.00 H new ATOM 0 HA ASP A 90 -5.225 9.117 -5.915 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -2.911 9.737 -5.605 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -3.148 8.003 -5.531 1.00 0.00 H new ATOM 807 N VAL A 91 -4.244 11.310 -7.102 1.00 0.00 N ATOM 808 CA VAL A 91 -4.241 12.487 -7.880 1.00 0.00 C ATOM 809 C VAL A 91 -2.860 12.453 -8.424 1.00 0.00 C ATOM 810 O VAL A 91 -1.840 12.682 -7.807 1.00 0.00 O ATOM 811 CB VAL A 91 -4.416 13.716 -7.104 1.00 0.00 C ATOM 812 CG1 VAL A 91 -4.421 14.678 -8.290 1.00 0.00 C ATOM 813 CG2 VAL A 91 -5.769 13.642 -6.421 1.00 0.00 C ATOM 0 H VAL A 91 -3.965 11.417 -6.127 1.00 0.00 H new ATOM 0 HA VAL A 91 -5.057 12.505 -8.602 1.00 0.00 H new ATOM 0 HB VAL A 91 -3.702 13.954 -6.315 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.545 15.699 -7.930 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.477 14.596 -8.829 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -5.244 14.426 -8.959 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.930 14.546 -5.833 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -6.552 13.555 -7.174 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -5.798 12.772 -5.765 1.00 0.00 H new ATOM 823 N GLY A 92 -3.001 12.135 -9.648 1.00 0.00 N ATOM 824 CA GLY A 92 -1.848 11.977 -10.563 1.00 0.00 C ATOM 825 C GLY A 92 -1.755 10.591 -11.226 1.00 0.00 C ATOM 826 O GLY A 92 -0.924 10.447 -12.101 1.00 0.00 O ATOM 0 H GLY A 92 -3.906 11.967 -10.087 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -1.910 12.737 -11.342 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -0.929 12.164 -10.007 1.00 0.00 H new ATOM 830 N GLY A 93 -2.541 9.596 -10.868 1.00 0.00 N ATOM 831 CA GLY A 93 -2.339 8.304 -11.599 1.00 0.00 C ATOM 832 C GLY A 93 -2.577 7.143 -10.661 1.00 0.00 C ATOM 833 O GLY A 93 -3.037 7.349 -9.562 1.00 0.00 O ATOM 0 H GLY A 93 -3.266 9.616 -10.151 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -3.022 8.245 -12.447 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -1.327 8.257 -12.001 1.00 0.00 H new ATOM 837 N ARG A 94 -2.273 5.949 -11.091 1.00 0.00 N ATOM 838 CA ARG A 94 -2.504 4.805 -10.189 1.00 0.00 C ATOM 839 C ARG A 94 -1.306 4.057 -9.691 1.00 0.00 C ATOM 840 O ARG A 94 -0.225 4.070 -10.243 1.00 0.00 O ATOM 841 CB ARG A 94 -3.348 3.851 -10.882 1.00 0.00 C ATOM 842 CG ARG A 94 -4.670 4.459 -11.071 1.00 0.00 C ATOM 843 CD ARG A 94 -4.925 4.818 -12.535 1.00 0.00 C ATOM 844 NE ARG A 94 -5.037 3.561 -13.325 1.00 0.00 N ATOM 845 CZ ARG A 94 -6.207 3.236 -13.804 1.00 0.00 C ATOM 846 NH1 ARG A 94 -7.157 2.947 -12.958 1.00 0.00 N ATOM 847 NH2 ARG A 94 -6.400 3.207 -15.096 1.00 0.00 N ATOM 0 H ARG A 94 -1.884 5.726 -12.007 1.00 0.00 H new ATOM 0 HA ARG A 94 -2.944 5.254 -9.299 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -2.911 3.586 -11.845 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -3.432 2.930 -10.306 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -5.440 3.769 -10.726 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -4.749 5.357 -10.458 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -5.840 5.404 -12.626 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -4.112 5.434 -12.920 1.00 0.00 H new ATOM 0 HE ARG A 94 -4.222 2.970 -13.487 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -6.974 2.979 -11.955 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -8.083 2.689 -13.299 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -5.636 3.438 -15.731 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -7.315 2.953 -15.469 1.00 0.00 H new ATOM 861 N ILE A 95 -1.610 3.413 -8.603 1.00 0.00 N ATOM 862 CA ILE A 95 -0.575 2.580 -7.920 1.00 0.00 C ATOM 863 C ILE A 95 -1.171 1.204 -7.664 1.00 0.00 C ATOM 864 O ILE A 95 -2.385 1.076 -7.685 1.00 0.00 O ATOM 865 CB ILE A 95 -0.177 3.253 -6.594 1.00 0.00 C ATOM 866 CG1 ILE A 95 -1.092 2.879 -5.409 1.00 0.00 C ATOM 867 CG2 ILE A 95 -0.287 4.772 -6.828 1.00 0.00 C ATOM 868 CD1 ILE A 95 -2.375 3.717 -5.381 1.00 0.00 C ATOM 0 H ILE A 95 -2.526 3.424 -8.155 1.00 0.00 H new ATOM 0 HA ILE A 95 0.317 2.482 -8.538 1.00 0.00 H new ATOM 0 HB ILE A 95 0.826 2.920 -6.327 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -1.352 1.822 -5.472 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -0.549 3.018 -4.474 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -0.015 5.301 -5.915 1.00 0.00 H new ATOM 0 HG22 ILE A 95 0.387 5.066 -7.633 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -1.311 5.025 -7.102 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -2.987 3.418 -4.530 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -2.118 4.772 -5.290 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -2.934 3.558 -6.303 1.00 0.00 H new ATOM 880 N GLN A 96 -0.341 0.213 -7.424 1.00 0.00 N ATOM 881 CA GLN A 96 -0.936 -1.110 -7.174 1.00 0.00 C ATOM 882 C GLN A 96 -0.315 -1.625 -5.874 1.00 0.00 C ATOM 883 O GLN A 96 0.779 -1.273 -5.468 1.00 0.00 O ATOM 884 CB GLN A 96 -0.620 -1.973 -8.406 1.00 0.00 C ATOM 885 CG GLN A 96 0.243 -3.175 -8.096 1.00 0.00 C ATOM 886 CD GLN A 96 0.131 -4.100 -9.302 1.00 0.00 C ATOM 887 OE1 GLN A 96 0.557 -3.783 -10.394 1.00 0.00 O ATOM 888 NE2 GLN A 96 -0.446 -5.256 -9.137 1.00 0.00 N ATOM 0 H GLN A 96 0.677 0.270 -7.394 1.00 0.00 H new ATOM 0 HA GLN A 96 -2.018 -1.111 -7.044 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -1.555 -2.312 -8.851 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -0.117 -1.357 -9.152 1.00 0.00 H new ATOM 0 HG2 GLN A 96 1.278 -2.878 -7.928 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -0.097 -3.675 -7.189 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -0.803 -5.521 -8.219 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -0.540 -5.896 -9.926 1.00 0.00 H new ATOM 897 N LEU A 97 -1.071 -2.457 -5.229 1.00 0.00 N ATOM 898 CA LEU A 97 -0.585 -3.023 -3.963 1.00 0.00 C ATOM 899 C LEU A 97 -0.926 -4.491 -3.850 1.00 0.00 C ATOM 900 O LEU A 97 -1.378 -5.151 -4.766 1.00 0.00 O ATOM 901 CB LEU A 97 -1.181 -2.213 -2.751 1.00 0.00 C ATOM 902 CG LEU A 97 -2.609 -1.791 -2.987 1.00 0.00 C ATOM 903 CD1 LEU A 97 -3.208 -1.439 -1.635 1.00 0.00 C ATOM 904 CD2 LEU A 97 -2.579 -0.467 -3.751 1.00 0.00 C ATOM 0 H LEU A 97 -1.997 -2.765 -5.525 1.00 0.00 H new ATOM 0 HA LEU A 97 0.502 -2.939 -3.943 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -1.130 -2.824 -1.850 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -0.569 -1.329 -2.572 1.00 0.00 H new ATOM 0 HG LEU A 97 -3.158 -2.574 -3.510 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -4.244 -1.128 -1.766 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -3.171 -2.311 -0.982 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -2.639 -0.625 -1.186 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -3.599 -0.132 -3.939 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -2.054 0.283 -3.159 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -2.062 -0.606 -4.701 1.00 0.00 H new ATOM 916 N TYR A 98 -0.662 -4.907 -2.659 1.00 0.00 N ATOM 917 CA TYR A 98 -0.855 -6.283 -2.180 1.00 0.00 C ATOM 918 C TYR A 98 -1.572 -5.980 -0.864 1.00 0.00 C ATOM 919 O TYR A 98 -1.049 -5.306 -0.012 1.00 0.00 O ATOM 920 CB TYR A 98 0.566 -6.786 -2.150 1.00 0.00 C ATOM 921 CG TYR A 98 0.731 -8.188 -1.648 1.00 0.00 C ATOM 922 CD1 TYR A 98 0.267 -8.562 -0.414 1.00 0.00 C ATOM 923 CD2 TYR A 98 1.386 -9.093 -2.437 1.00 0.00 C ATOM 924 CE1 TYR A 98 0.489 -9.869 0.011 1.00 0.00 C ATOM 925 CE2 TYR A 98 1.589 -10.364 -2.022 1.00 0.00 C ATOM 926 CZ TYR A 98 1.150 -10.773 -0.795 1.00 0.00 C ATOM 927 OH TYR A 98 1.373 -12.070 -0.384 1.00 0.00 O ATOM 0 H TYR A 98 -0.287 -4.289 -1.940 1.00 0.00 H new ATOM 0 HA TYR A 98 -1.430 -7.044 -2.707 1.00 0.00 H new ATOM 0 HB2 TYR A 98 0.978 -6.726 -3.157 1.00 0.00 H new ATOM 0 HB3 TYR A 98 1.158 -6.120 -1.523 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -0.259 -7.859 0.215 1.00 0.00 H new ATOM 0 HD2 TYR A 98 1.747 -8.787 -3.408 1.00 0.00 H new ATOM 0 HE1 TYR A 98 0.139 -10.179 0.984 1.00 0.00 H new ATOM 0 HE2 TYR A 98 2.103 -11.062 -2.667 1.00 0.00 H new ATOM 0 HH TYR A 98 1.852 -12.558 -1.086 1.00 0.00 H new ATOM 937 N VAL A 99 -2.748 -6.500 -0.732 1.00 0.00 N ATOM 938 CA VAL A 99 -3.625 -6.329 0.425 1.00 0.00 C ATOM 939 C VAL A 99 -3.675 -7.630 1.109 1.00 0.00 C ATOM 940 O VAL A 99 -4.446 -8.485 0.721 1.00 0.00 O ATOM 941 CB VAL A 99 -4.987 -5.998 -0.019 1.00 0.00 C ATOM 942 CG1 VAL A 99 -5.607 -5.450 1.148 1.00 0.00 C ATOM 943 CG2 VAL A 99 -4.946 -4.975 -1.078 1.00 0.00 C ATOM 0 H VAL A 99 -3.162 -7.089 -1.454 1.00 0.00 H new ATOM 0 HA VAL A 99 -3.255 -5.532 1.070 1.00 0.00 H new ATOM 0 HB VAL A 99 -5.515 -6.862 -0.423 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -6.635 -5.170 0.917 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -5.604 -6.194 1.945 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -5.055 -4.568 1.473 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -5.962 -4.740 -1.397 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -4.468 -4.073 -0.695 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -4.378 -5.353 -1.928 1.00 0.00 H new ATOM 953 N ALA A 100 -2.840 -7.737 2.090 1.00 0.00 N ATOM 954 CA ALA A 100 -2.822 -8.994 2.826 1.00 0.00 C ATOM 955 C ALA A 100 -2.675 -8.686 4.288 1.00 0.00 C ATOM 956 O ALA A 100 -1.641 -8.179 4.675 1.00 0.00 O ATOM 957 CB ALA A 100 -1.701 -9.673 2.234 1.00 0.00 C ATOM 0 H ALA A 100 -2.186 -7.020 2.402 1.00 0.00 H new ATOM 0 HA ALA A 100 -3.718 -9.611 2.767 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -1.576 -10.648 2.706 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -1.879 -9.806 1.167 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -0.798 -9.080 2.380 1.00 0.00 H new ATOM 963 N ARG A 101 -3.663 -8.977 5.086 1.00 0.00 N ATOM 964 CA ARG A 101 -3.370 -8.618 6.512 1.00 0.00 C ATOM 965 C ARG A 101 -2.696 -9.828 7.157 1.00 0.00 C ATOM 966 O ARG A 101 -1.486 -9.855 7.265 1.00 0.00 O ATOM 967 CB ARG A 101 -4.662 -8.287 7.264 1.00 0.00 C ATOM 968 CG ARG A 101 -5.426 -7.187 6.525 1.00 0.00 C ATOM 969 CD ARG A 101 -4.677 -5.863 6.695 1.00 0.00 C ATOM 970 NE ARG A 101 -5.693 -4.772 6.692 1.00 0.00 N ATOM 971 CZ ARG A 101 -5.866 -4.066 7.778 1.00 0.00 C ATOM 972 NH1 ARG A 101 -5.816 -4.663 8.937 1.00 0.00 N ATOM 973 NH2 ARG A 101 -6.079 -2.782 7.681 1.00 0.00 N ATOM 0 H ARG A 101 -4.564 -9.399 4.860 1.00 0.00 H new ATOM 0 HA ARG A 101 -2.726 -7.740 6.553 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -5.283 -9.179 7.349 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -4.430 -7.962 8.278 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -5.516 -7.436 5.468 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -6.438 -7.101 6.920 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -4.112 -5.859 7.627 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -3.960 -5.721 5.887 1.00 0.00 H new ATOM 0 HE ARG A 101 -6.244 -4.580 5.856 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -5.644 -5.667 8.986 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -5.949 -4.126 9.794 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -6.109 -2.338 6.763 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -6.215 -2.223 8.523 1.00 0.00 H new ATOM 987 N ASP A 102 -3.464 -10.799 7.566 1.00 0.00 N ATOM 988 CA ASP A 102 -2.850 -11.994 8.197 1.00 0.00 C ATOM 989 C ASP A 102 -2.699 -13.083 7.147 1.00 0.00 C ATOM 990 O ASP A 102 -1.666 -13.242 6.530 1.00 0.00 O ATOM 991 CB ASP A 102 -3.764 -12.444 9.336 1.00 0.00 C ATOM 992 CG ASP A 102 -3.590 -11.474 10.503 1.00 0.00 C ATOM 993 OD1 ASP A 102 -3.878 -10.307 10.298 1.00 0.00 O ATOM 994 OD2 ASP A 102 -3.175 -11.968 11.538 1.00 0.00 O ATOM 0 H ASP A 102 -4.481 -10.815 7.491 1.00 0.00 H new ATOM 0 HA ASP A 102 -1.861 -11.771 8.598 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -4.803 -12.458 9.006 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -3.514 -13.459 9.645 1.00 0.00 H new ATOM 999 N ASP A 103 -3.778 -13.796 6.988 1.00 0.00 N ATOM 1000 CA ASP A 103 -3.838 -14.908 6.011 1.00 0.00 C ATOM 1001 C ASP A 103 -5.113 -14.833 5.163 1.00 0.00 C ATOM 1002 O ASP A 103 -5.069 -14.767 3.949 1.00 0.00 O ATOM 1003 CB ASP A 103 -3.778 -16.124 6.801 1.00 0.00 C ATOM 1004 CG ASP A 103 -2.450 -16.177 7.563 1.00 0.00 C ATOM 1005 OD1 ASP A 103 -1.439 -16.276 6.890 1.00 0.00 O ATOM 1006 OD2 ASP A 103 -2.521 -16.111 8.779 1.00 0.00 O ATOM 0 H ASP A 103 -4.641 -13.647 7.510 1.00 0.00 H new ATOM 0 HA ASP A 103 -3.015 -14.866 5.297 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -4.612 -16.156 7.502 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -3.872 -16.996 6.153 1.00 0.00 H new ATOM 1011 N LEU A 104 -6.223 -14.852 5.859 1.00 0.00 N ATOM 1012 CA LEU A 104 -7.581 -14.786 5.244 1.00 0.00 C ATOM 1013 C LEU A 104 -8.332 -13.574 5.839 1.00 0.00 C ATOM 1014 O LEU A 104 -9.330 -13.738 6.515 1.00 0.00 O ATOM 1015 CB LEU A 104 -8.347 -16.046 5.599 1.00 0.00 C ATOM 1016 CG LEU A 104 -7.976 -17.330 4.815 1.00 0.00 C ATOM 1017 CD1 LEU A 104 -6.538 -17.804 5.089 1.00 0.00 C ATOM 1018 CD2 LEU A 104 -8.935 -18.433 5.293 1.00 0.00 C ATOM 0 H LEU A 104 -6.239 -14.914 6.877 1.00 0.00 H new ATOM 0 HA LEU A 104 -7.496 -14.691 4.161 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -8.204 -16.243 6.662 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -9.409 -15.852 5.451 1.00 0.00 H new ATOM 0 HG LEU A 104 -8.053 -17.119 3.748 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -6.336 -18.707 4.512 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -5.836 -17.023 4.798 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -6.422 -18.019 6.151 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -8.713 -19.362 4.767 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -8.810 -18.584 6.365 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -9.963 -18.136 5.086 1.00 0.00 H new ATOM 1030 N PRO A 105 -7.849 -12.392 5.584 1.00 0.00 N ATOM 1031 CA PRO A 105 -8.249 -11.186 6.336 1.00 0.00 C ATOM 1032 C PRO A 105 -9.451 -10.368 5.848 1.00 0.00 C ATOM 1033 O PRO A 105 -9.609 -10.097 4.676 1.00 0.00 O ATOM 1034 CB PRO A 105 -7.006 -10.408 6.344 1.00 0.00 C ATOM 1035 CG PRO A 105 -6.386 -10.685 4.954 1.00 0.00 C ATOM 1036 CD PRO A 105 -6.832 -12.093 4.566 1.00 0.00 C ATOM 0 HA PRO A 105 -8.645 -11.478 7.309 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -7.200 -9.346 6.490 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -6.342 -10.724 7.148 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -6.727 -9.953 4.222 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -5.299 -10.617 4.991 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -7.244 -12.125 3.558 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -6.006 -12.804 4.595 1.00 0.00 H new ATOM 1044 N GLU A 106 -10.260 -10.008 6.812 1.00 0.00 N ATOM 1045 CA GLU A 106 -11.465 -9.230 6.700 1.00 0.00 C ATOM 1046 C GLU A 106 -11.527 -8.033 5.778 1.00 0.00 C ATOM 1047 O GLU A 106 -10.643 -7.759 4.995 1.00 0.00 O ATOM 1048 CB GLU A 106 -11.725 -8.902 8.108 1.00 0.00 C ATOM 1049 CG GLU A 106 -12.849 -9.757 8.473 1.00 0.00 C ATOM 1050 CD GLU A 106 -13.164 -9.599 9.953 1.00 0.00 C ATOM 1051 OE1 GLU A 106 -13.417 -8.467 10.329 1.00 0.00 O ATOM 1052 OE2 GLU A 106 -13.132 -10.623 10.614 1.00 0.00 O ATOM 0 H GLU A 106 -10.075 -10.276 7.779 1.00 0.00 H new ATOM 0 HA GLU A 106 -12.224 -9.811 6.177 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -10.853 -9.102 8.731 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -11.970 -7.847 8.233 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -13.723 -9.496 7.877 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -12.612 -10.798 8.252 1.00 0.00 H new ATOM 1059 N GLY A 107 -12.620 -7.335 5.945 1.00 0.00 N ATOM 1060 CA GLY A 107 -12.836 -6.127 5.108 1.00 0.00 C ATOM 1061 C GLY A 107 -12.351 -4.829 5.751 1.00 0.00 C ATOM 1062 O GLY A 107 -12.788 -3.756 5.396 1.00 0.00 O ATOM 0 H GLY A 107 -13.359 -7.547 6.615 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -12.324 -6.262 4.155 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -13.900 -6.036 4.888 1.00 0.00 H new ATOM 1066 N VAL A 108 -11.453 -4.958 6.688 1.00 0.00 N ATOM 1067 CA VAL A 108 -10.876 -3.803 7.376 1.00 0.00 C ATOM 1068 C VAL A 108 -9.934 -3.218 6.313 1.00 0.00 C ATOM 1069 O VAL A 108 -9.540 -2.073 6.267 1.00 0.00 O ATOM 1070 CB VAL A 108 -10.107 -4.262 8.545 1.00 0.00 C ATOM 1071 CG1 VAL A 108 -9.776 -2.983 9.299 1.00 0.00 C ATOM 1072 CG2 VAL A 108 -11.034 -5.111 9.415 1.00 0.00 C ATOM 0 H VAL A 108 -11.092 -5.857 7.006 1.00 0.00 H new ATOM 0 HA VAL A 108 -11.612 -3.087 7.742 1.00 0.00 H new ATOM 0 HB VAL A 108 -9.222 -4.842 8.282 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -9.200 -3.226 10.192 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -9.191 -2.324 8.658 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -10.700 -2.482 9.588 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -10.489 -5.465 10.290 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -11.884 -4.509 9.736 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -11.391 -5.965 8.840 1.00 0.00 H new ATOM 1082 N TYR A 109 -9.620 -4.155 5.484 1.00 0.00 N ATOM 1083 CA TYR A 109 -8.764 -4.075 4.296 1.00 0.00 C ATOM 1084 C TYR A 109 -9.468 -3.561 3.082 1.00 0.00 C ATOM 1085 O TYR A 109 -10.244 -2.651 3.187 1.00 0.00 O ATOM 1086 CB TYR A 109 -8.246 -5.553 4.281 1.00 0.00 C ATOM 1087 CG TYR A 109 -8.623 -6.465 3.092 1.00 0.00 C ATOM 1088 CD1 TYR A 109 -9.924 -6.587 2.546 1.00 0.00 C ATOM 1089 CD2 TYR A 109 -7.620 -7.207 2.549 1.00 0.00 C ATOM 1090 CE1 TYR A 109 -10.147 -7.444 1.491 1.00 0.00 C ATOM 1091 CE2 TYR A 109 -7.853 -8.047 1.496 1.00 0.00 C ATOM 1092 CZ TYR A 109 -9.113 -8.176 0.955 1.00 0.00 C ATOM 1093 OH TYR A 109 -9.329 -9.022 -0.112 1.00 0.00 O ATOM 0 H TYR A 109 -9.981 -5.100 5.614 1.00 0.00 H new ATOM 0 HA TYR A 109 -7.955 -3.344 4.309 1.00 0.00 H new ATOM 0 HB2 TYR A 109 -7.158 -5.521 4.340 1.00 0.00 H new ATOM 0 HB3 TYR A 109 -8.601 -6.036 5.192 1.00 0.00 H new ATOM 0 HD1 TYR A 109 -10.739 -6.009 2.956 1.00 0.00 H new ATOM 0 HD2 TYR A 109 -6.623 -7.131 2.957 1.00 0.00 H new ATOM 0 HE1 TYR A 109 -11.141 -7.542 1.081 1.00 0.00 H new ATOM 0 HE2 TYR A 109 -7.036 -8.619 1.082 1.00 0.00 H new ATOM 0 HH TYR A 109 -10.260 -9.327 -0.104 1.00 0.00 H new ATOM 1103 N ASN A 110 -9.129 -4.125 1.970 1.00 0.00 N ATOM 1104 CA ASN A 110 -9.694 -3.824 0.642 1.00 0.00 C ATOM 1105 C ASN A 110 -11.172 -3.463 0.709 1.00 0.00 C ATOM 1106 O ASN A 110 -11.688 -2.915 -0.247 1.00 0.00 O ATOM 1107 CB ASN A 110 -9.371 -5.059 -0.275 1.00 0.00 C ATOM 1108 CG ASN A 110 -10.526 -5.853 -0.908 1.00 0.00 C ATOM 1109 OD1 ASN A 110 -11.696 -5.734 -0.603 1.00 0.00 O ATOM 1110 ND2 ASN A 110 -10.172 -6.713 -1.827 1.00 0.00 N ATOM 0 H ASN A 110 -8.414 -4.851 1.932 1.00 0.00 H new ATOM 0 HA ASN A 110 -9.241 -2.930 0.213 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -8.734 -4.706 -1.086 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -8.778 -5.758 0.315 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -10.879 -7.285 -2.289 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -9.189 -6.812 -2.082 1.00 0.00 H new ATOM 1117 N GLU A 111 -11.867 -3.759 1.784 1.00 0.00 N ATOM 1118 CA GLU A 111 -13.241 -3.424 1.771 1.00 0.00 C ATOM 1119 C GLU A 111 -13.456 -2.055 2.301 1.00 0.00 C ATOM 1120 O GLU A 111 -14.319 -1.314 1.883 1.00 0.00 O ATOM 1121 CB GLU A 111 -13.909 -4.437 2.544 1.00 0.00 C ATOM 1122 CG GLU A 111 -14.972 -4.552 1.582 1.00 0.00 C ATOM 1123 CD GLU A 111 -16.164 -5.371 2.078 1.00 0.00 C ATOM 1124 OE1 GLU A 111 -16.021 -5.944 3.146 1.00 0.00 O ATOM 1125 OE2 GLU A 111 -17.143 -5.377 1.349 1.00 0.00 O ATOM 0 H GLU A 111 -11.513 -4.207 2.629 1.00 0.00 H new ATOM 0 HA GLU A 111 -13.647 -3.404 0.759 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -13.330 -5.350 2.685 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -14.231 -4.109 3.532 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -15.316 -3.553 1.312 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -14.580 -5.010 0.674 1.00 0.00 H new ATOM 1132 N GLN A 112 -12.661 -1.776 3.268 1.00 0.00 N ATOM 1133 CA GLN A 112 -12.671 -0.503 3.908 1.00 0.00 C ATOM 1134 C GLN A 112 -12.319 0.212 2.596 1.00 0.00 C ATOM 1135 O GLN A 112 -13.026 1.084 2.161 1.00 0.00 O ATOM 1136 CB GLN A 112 -11.641 -0.782 4.862 1.00 0.00 C ATOM 1137 CG GLN A 112 -11.631 0.314 5.765 1.00 0.00 C ATOM 1138 CD GLN A 112 -11.001 0.044 7.118 1.00 0.00 C ATOM 1139 OE1 GLN A 112 -9.883 0.427 7.393 1.00 0.00 O ATOM 1140 NE2 GLN A 112 -11.707 -0.624 7.986 1.00 0.00 N ATOM 0 H GLN A 112 -11.975 -2.430 3.645 1.00 0.00 H new ATOM 0 HA GLN A 112 -13.468 0.016 4.440 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -11.839 -1.717 5.386 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -10.674 -0.891 4.371 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -11.100 1.143 5.296 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -12.659 0.642 5.922 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -12.646 -0.941 7.744 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -11.321 -0.830 8.907 1.00 0.00 H new ATOM 1149 N PHE A 113 -11.226 -0.167 1.982 1.00 0.00 N ATOM 1150 CA PHE A 113 -10.823 0.468 0.688 1.00 0.00 C ATOM 1151 C PHE A 113 -12.018 0.645 -0.242 1.00 0.00 C ATOM 1152 O PHE A 113 -12.131 1.612 -0.971 1.00 0.00 O ATOM 1153 CB PHE A 113 -9.942 -0.333 -0.169 1.00 0.00 C ATOM 1154 CG PHE A 113 -8.439 -0.341 0.107 1.00 0.00 C ATOM 1155 CD1 PHE A 113 -7.816 0.585 0.913 1.00 0.00 C ATOM 1156 CD2 PHE A 113 -7.675 -1.316 -0.496 1.00 0.00 C ATOM 1157 CE1 PHE A 113 -6.455 0.530 1.108 1.00 0.00 C ATOM 1158 CE2 PHE A 113 -6.321 -1.374 -0.310 1.00 0.00 C ATOM 1159 CZ PHE A 113 -5.700 -0.449 0.499 1.00 0.00 C ATOM 0 H PHE A 113 -10.593 -0.891 2.322 1.00 0.00 H new ATOM 0 HA PHE A 113 -10.340 1.380 1.040 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -10.289 -1.365 -0.123 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -10.085 0.006 -1.195 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -8.398 1.357 1.394 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -8.154 -2.049 -1.128 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -5.975 1.260 1.743 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -5.740 -2.144 -0.797 1.00 0.00 H new ATOM 0 HZ PHE A 113 -4.632 -0.490 0.655 1.00 0.00 H new ATOM 1169 N LYS A 114 -12.887 -0.336 -0.165 1.00 0.00 N ATOM 1170 CA LYS A 114 -14.080 -0.239 -1.073 1.00 0.00 C ATOM 1171 C LYS A 114 -14.916 0.941 -0.645 1.00 0.00 C ATOM 1172 O LYS A 114 -15.483 1.650 -1.449 1.00 0.00 O ATOM 1173 CB LYS A 114 -14.927 -1.553 -1.021 1.00 0.00 C ATOM 1174 CG LYS A 114 -16.352 -1.281 -1.528 1.00 0.00 C ATOM 1175 CD LYS A 114 -17.090 -2.629 -1.658 1.00 0.00 C ATOM 1176 CE LYS A 114 -18.571 -2.373 -1.986 1.00 0.00 C ATOM 1177 NZ LYS A 114 -19.278 -3.664 -2.238 1.00 0.00 N ATOM 0 H LYS A 114 -12.834 -1.152 0.445 1.00 0.00 H new ATOM 0 HA LYS A 114 -13.743 -0.103 -2.101 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -14.456 -2.323 -1.632 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -14.962 -1.933 0.000 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -16.881 -0.624 -0.837 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -16.321 -0.772 -2.491 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -16.632 -3.232 -2.442 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -17.004 -3.194 -0.730 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -19.047 -1.845 -1.160 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -18.650 -1.730 -2.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -20.277 -3.476 -2.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -18.833 -4.153 -3.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -19.218 -4.264 -1.391 1.00 0.00 H new ATOM 1191 N LYS A 115 -14.960 1.113 0.637 1.00 0.00 N ATOM 1192 CA LYS A 115 -15.679 2.153 1.287 1.00 0.00 C ATOM 1193 C LYS A 115 -15.100 3.480 0.836 1.00 0.00 C ATOM 1194 O LYS A 115 -15.836 4.440 0.737 1.00 0.00 O ATOM 1195 CB LYS A 115 -15.510 1.897 2.742 1.00 0.00 C ATOM 1196 CG LYS A 115 -16.798 2.194 3.370 1.00 0.00 C ATOM 1197 CD LYS A 115 -16.655 2.063 4.889 1.00 0.00 C ATOM 1198 CE LYS A 115 -17.976 2.478 5.541 1.00 0.00 C ATOM 1199 NZ LYS A 115 -17.917 2.288 7.021 1.00 0.00 N ATOM 0 H LYS A 115 -14.470 0.500 1.288 1.00 0.00 H new ATOM 0 HA LYS A 115 -16.742 2.183 1.049 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -15.220 0.862 2.922 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -14.722 2.525 3.157 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -17.121 3.202 3.108 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -17.562 1.509 3.003 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -16.406 1.037 5.158 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -15.841 2.693 5.248 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -18.188 3.522 5.312 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -18.793 1.888 5.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -18.823 2.575 7.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -17.737 1.286 7.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -17.151 2.870 7.415 1.00 0.00 H new ATOM 1213 N TRP A 116 -13.815 3.561 0.567 1.00 0.00 N ATOM 1214 CA TRP A 116 -13.413 4.921 0.150 1.00 0.00 C ATOM 1215 C TRP A 116 -13.662 5.229 -1.271 1.00 0.00 C ATOM 1216 O TRP A 116 -13.514 4.459 -2.200 1.00 0.00 O ATOM 1217 CB TRP A 116 -12.005 5.200 0.345 1.00 0.00 C ATOM 1218 CG TRP A 116 -11.924 4.551 1.622 1.00 0.00 C ATOM 1219 CD1 TRP A 116 -11.352 3.402 1.554 1.00 0.00 C ATOM 1220 CD2 TRP A 116 -12.502 4.724 2.787 1.00 0.00 C ATOM 1221 NE1 TRP A 116 -11.612 2.854 2.688 1.00 0.00 N ATOM 1222 CE2 TRP A 116 -12.315 3.581 3.461 1.00 0.00 C ATOM 1223 CE3 TRP A 116 -13.151 5.743 3.339 1.00 0.00 C ATOM 1224 CZ2 TRP A 116 -12.770 3.252 4.646 1.00 0.00 C ATOM 1225 CZ3 TRP A 116 -13.678 5.522 4.628 1.00 0.00 C ATOM 1226 CH2 TRP A 116 -13.494 4.269 5.290 1.00 0.00 C ATOM 0 H TRP A 116 -13.105 2.830 0.612 1.00 0.00 H new ATOM 0 HA TRP A 116 -14.041 5.534 0.796 1.00 0.00 H new ATOM 0 HB2 TRP A 116 -11.361 4.755 -0.414 1.00 0.00 H new ATOM 0 HB3 TRP A 116 -11.770 6.264 0.379 1.00 0.00 H new ATOM 0 HD1 TRP A 116 -10.783 2.991 0.733 1.00 0.00 H new ATOM 0 HE1 TRP A 116 -11.285 1.922 2.944 1.00 0.00 H new ATOM 0 HE3 TRP A 116 -13.268 6.688 2.829 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 -12.602 2.282 5.089 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 -14.228 6.310 5.121 1.00 0.00 H new ATOM 0 HH2 TRP A 116 -13.907 4.106 6.274 1.00 0.00 H new ATOM 1237 N ASP A 117 -14.080 6.434 -1.275 1.00 0.00 N ATOM 1238 CA ASP A 117 -14.458 7.182 -2.445 1.00 0.00 C ATOM 1239 C ASP A 117 -13.619 8.306 -2.915 1.00 0.00 C ATOM 1240 O ASP A 117 -12.594 8.702 -2.401 1.00 0.00 O ATOM 1241 CB ASP A 117 -15.833 7.606 -2.175 1.00 0.00 C ATOM 1242 CG ASP A 117 -16.143 8.091 -0.763 1.00 0.00 C ATOM 1243 OD1 ASP A 117 -16.195 7.264 0.134 1.00 0.00 O ATOM 1244 OD2 ASP A 117 -16.322 9.285 -0.662 1.00 0.00 O ATOM 0 H ASP A 117 -14.180 6.974 -0.415 1.00 0.00 H new ATOM 0 HA ASP A 117 -14.321 6.517 -3.298 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -16.083 8.407 -2.871 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -16.496 6.770 -2.399 1.00 0.00 H new ATOM 1249 N LEU A 118 -14.221 8.740 -3.965 1.00 0.00 N ATOM 1250 CA LEU A 118 -13.735 9.859 -4.762 1.00 0.00 C ATOM 1251 C LEU A 118 -12.899 10.989 -4.243 1.00 0.00 C ATOM 1252 O LEU A 118 -11.733 11.185 -4.522 1.00 0.00 O ATOM 1253 CB LEU A 118 -14.988 10.370 -5.472 1.00 0.00 C ATOM 1254 CG LEU A 118 -16.402 10.257 -4.843 1.00 0.00 C ATOM 1255 CD1 LEU A 118 -17.118 8.914 -5.133 1.00 0.00 C ATOM 1256 CD2 LEU A 118 -16.504 10.701 -3.413 1.00 0.00 C ATOM 0 H LEU A 118 -15.086 8.332 -4.319 1.00 0.00 H new ATOM 0 HA LEU A 118 -12.924 9.423 -5.346 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -14.821 11.427 -5.679 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -15.032 9.860 -6.434 1.00 0.00 H new ATOM 0 HG LEU A 118 -16.976 11.008 -5.386 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -18.099 8.915 -4.659 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -17.235 8.789 -6.209 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -16.524 8.091 -4.735 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -17.531 10.583 -3.068 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -15.841 10.095 -2.796 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -16.214 11.749 -3.336 1.00 0.00 H new ATOM 1268 N GLY A 119 -13.632 11.660 -3.476 1.00 0.00 N ATOM 1269 CA GLY A 119 -13.173 12.880 -2.775 1.00 0.00 C ATOM 1270 C GLY A 119 -12.857 12.744 -1.291 1.00 0.00 C ATOM 1271 O GLY A 119 -11.944 13.395 -0.813 1.00 0.00 O ATOM 0 H GLY A 119 -14.602 11.415 -3.277 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -12.279 13.246 -3.280 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -13.940 13.646 -2.890 1.00 0.00 H new ATOM 1275 N ASP A 120 -13.588 11.936 -0.567 1.00 0.00 N ATOM 1276 CA ASP A 120 -13.352 11.753 0.815 1.00 0.00 C ATOM 1277 C ASP A 120 -12.045 11.034 0.574 1.00 0.00 C ATOM 1278 O ASP A 120 -11.897 10.474 -0.497 1.00 0.00 O ATOM 1279 CB ASP A 120 -14.344 10.806 1.271 1.00 0.00 C ATOM 1280 CG ASP A 120 -13.864 9.345 1.383 1.00 0.00 C ATOM 1281 OD1 ASP A 120 -13.590 8.724 0.368 1.00 0.00 O ATOM 1282 OD2 ASP A 120 -13.805 8.922 2.522 1.00 0.00 O ATOM 0 H ASP A 120 -14.366 11.389 -0.936 1.00 0.00 H new ATOM 0 HA ASP A 120 -13.362 12.596 1.506 1.00 0.00 H new ATOM 0 HB2 ASP A 120 -14.706 11.127 2.248 1.00 0.00 H new ATOM 0 HB3 ASP A 120 -15.194 10.840 0.589 1.00 0.00 H new ATOM 1287 N ILE A 121 -11.140 11.022 1.482 1.00 0.00 N ATOM 1288 CA ILE A 121 -9.891 10.225 1.029 1.00 0.00 C ATOM 1289 C ILE A 121 -9.031 9.305 1.953 1.00 0.00 C ATOM 1290 O ILE A 121 -9.147 9.264 3.160 1.00 0.00 O ATOM 1291 CB ILE A 121 -9.025 11.317 0.308 1.00 0.00 C ATOM 1292 CG1 ILE A 121 -9.123 11.067 -1.219 1.00 0.00 C ATOM 1293 CG2 ILE A 121 -7.528 11.366 0.677 1.00 0.00 C ATOM 1294 CD1 ILE A 121 -8.169 11.970 -2.029 1.00 0.00 C ATOM 0 H ILE A 121 -11.150 11.450 2.408 1.00 0.00 H new ATOM 0 HA ILE A 121 -10.290 9.388 0.457 1.00 0.00 H new ATOM 0 HB ILE A 121 -9.436 12.271 0.639 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -8.894 10.022 -1.428 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -10.148 11.240 -1.547 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -7.040 12.161 0.113 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -7.423 11.561 1.744 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -7.062 10.411 0.435 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -8.278 11.754 -3.092 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -8.414 13.016 -1.844 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -7.140 11.779 -1.724 1.00 0.00 H new ATOM 1306 N LEU A 122 -8.150 8.530 1.371 1.00 0.00 N ATOM 1307 CA LEU A 122 -7.329 7.661 2.293 1.00 0.00 C ATOM 1308 C LEU A 122 -5.966 8.246 2.418 1.00 0.00 C ATOM 1309 O LEU A 122 -5.634 9.174 1.706 1.00 0.00 O ATOM 1310 CB LEU A 122 -6.971 6.247 1.799 1.00 0.00 C ATOM 1311 CG LEU A 122 -8.079 5.307 1.508 1.00 0.00 C ATOM 1312 CD1 LEU A 122 -9.149 6.105 0.820 1.00 0.00 C ATOM 1313 CD2 LEU A 122 -7.523 4.300 0.499 1.00 0.00 C ATOM 0 H LEU A 122 -7.964 8.455 0.371 1.00 0.00 H new ATOM 0 HA LEU A 122 -7.961 7.608 3.179 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -6.376 6.352 0.892 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -6.330 5.784 2.549 1.00 0.00 H new ATOM 0 HG LEU A 122 -8.465 4.815 2.401 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -9.992 5.455 0.583 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -9.483 6.908 1.477 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -8.750 6.532 -0.100 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -8.297 3.576 0.243 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -7.205 4.825 -0.402 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -6.670 3.780 0.936 1.00 0.00 H new ATOM 1325 N GLY A 123 -5.313 7.606 3.357 1.00 0.00 N ATOM 1326 CA GLY A 123 -3.906 7.820 3.818 1.00 0.00 C ATOM 1327 C GLY A 123 -3.626 6.323 4.106 1.00 0.00 C ATOM 1328 O GLY A 123 -4.257 5.825 5.012 1.00 0.00 O ATOM 0 H GLY A 123 -5.763 6.854 3.880 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -3.256 8.248 3.055 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -3.826 8.457 4.699 1.00 0.00 H new ATOM 1332 N ALA A 124 -2.772 5.582 3.433 1.00 0.00 N ATOM 1333 CA ALA A 124 -2.651 4.160 3.848 1.00 0.00 C ATOM 1334 C ALA A 124 -1.243 3.757 3.719 1.00 0.00 C ATOM 1335 O ALA A 124 -0.398 4.495 3.252 1.00 0.00 O ATOM 1336 CB ALA A 124 -3.417 3.376 2.948 1.00 0.00 C ATOM 0 H ALA A 124 -2.185 5.886 2.656 1.00 0.00 H new ATOM 0 HA ALA A 124 -2.995 4.027 4.874 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -3.346 2.325 3.230 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -4.459 3.692 2.986 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -3.035 3.507 1.936 1.00 0.00 H new ATOM 1342 N LYS A 125 -1.060 2.552 4.149 1.00 0.00 N ATOM 1343 CA LYS A 125 0.298 2.058 4.067 1.00 0.00 C ATOM 1344 C LYS A 125 0.409 0.579 3.890 1.00 0.00 C ATOM 1345 O LYS A 125 -0.446 -0.146 4.357 1.00 0.00 O ATOM 1346 CB LYS A 125 0.904 2.633 5.339 1.00 0.00 C ATOM 1347 CG LYS A 125 1.753 1.655 6.130 1.00 0.00 C ATOM 1348 CD LYS A 125 0.842 0.849 7.045 1.00 0.00 C ATOM 1349 CE LYS A 125 1.685 0.101 8.063 1.00 0.00 C ATOM 1350 NZ LYS A 125 0.790 -0.754 8.888 1.00 0.00 N ATOM 0 H LYS A 125 -1.764 1.923 4.535 1.00 0.00 H new ATOM 0 HA LYS A 125 0.836 2.371 3.172 1.00 0.00 H new ATOM 0 HB2 LYS A 125 1.516 3.496 5.077 1.00 0.00 H new ATOM 0 HB3 LYS A 125 0.099 2.995 5.978 1.00 0.00 H new ATOM 0 HG2 LYS A 125 2.294 0.992 5.455 1.00 0.00 H new ATOM 0 HG3 LYS A 125 2.500 2.191 6.716 1.00 0.00 H new ATOM 0 HD2 LYS A 125 0.141 1.511 7.553 1.00 0.00 H new ATOM 0 HD3 LYS A 125 0.250 0.146 6.459 1.00 0.00 H new ATOM 0 HE2 LYS A 125 2.432 -0.511 7.558 1.00 0.00 H new ATOM 0 HE3 LYS A 125 2.225 0.805 8.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 1.356 -1.272 9.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 0.093 -0.157 9.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 0.294 -1.432 8.274 1.00 0.00 H new ATOM 1364 N GLY A 126 1.435 0.134 3.207 1.00 0.00 N ATOM 1365 CA GLY A 126 1.478 -1.356 3.090 1.00 0.00 C ATOM 1366 C GLY A 126 2.893 -1.502 3.457 1.00 0.00 C ATOM 1367 O GLY A 126 3.288 -0.657 4.251 1.00 0.00 O ATOM 0 H GLY A 126 2.178 0.674 2.764 1.00 0.00 H new ATOM 0 HA2 GLY A 126 0.798 -1.864 3.774 1.00 0.00 H new ATOM 0 HA3 GLY A 126 1.251 -1.719 2.087 1.00 0.00 H new ATOM 1371 N LYS A 127 3.558 -2.535 2.955 1.00 0.00 N ATOM 1372 CA LYS A 127 4.968 -2.654 3.267 1.00 0.00 C ATOM 1373 C LYS A 127 5.586 -2.510 1.944 1.00 0.00 C ATOM 1374 O LYS A 127 4.981 -2.938 0.984 1.00 0.00 O ATOM 1375 CB LYS A 127 5.394 -3.879 3.755 1.00 0.00 C ATOM 1376 CG LYS A 127 6.361 -4.666 2.936 1.00 0.00 C ATOM 1377 CD LYS A 127 6.794 -5.850 3.805 1.00 0.00 C ATOM 1378 CE LYS A 127 7.774 -6.716 3.026 1.00 0.00 C ATOM 1379 NZ LYS A 127 8.947 -5.909 2.596 1.00 0.00 N ATOM 0 H LYS A 127 3.166 -3.266 2.361 1.00 0.00 H new ATOM 0 HA LYS A 127 5.218 -1.936 4.048 1.00 0.00 H new ATOM 0 HB2 LYS A 127 5.846 -3.709 4.732 1.00 0.00 H new ATOM 0 HB3 LYS A 127 4.512 -4.499 3.915 1.00 0.00 H new ATOM 0 HG2 LYS A 127 5.898 -5.011 2.012 1.00 0.00 H new ATOM 0 HG3 LYS A 127 7.219 -4.056 2.654 1.00 0.00 H new ATOM 0 HD2 LYS A 127 7.259 -5.491 4.723 1.00 0.00 H new ATOM 0 HD3 LYS A 127 5.924 -6.438 4.097 1.00 0.00 H new ATOM 0 HE2 LYS A 127 8.105 -7.550 3.645 1.00 0.00 H new ATOM 0 HE3 LYS A 127 7.279 -7.143 2.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 9.702 -6.543 2.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 8.666 -5.272 1.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 9.295 -5.347 3.399 1.00 0.00 H new ATOM 1393 N LEU A 128 6.748 -1.942 1.854 1.00 0.00 N ATOM 1394 CA LEU A 128 7.133 -1.898 0.403 1.00 0.00 C ATOM 1395 C LEU A 128 7.888 -3.113 0.053 1.00 0.00 C ATOM 1396 O LEU A 128 8.524 -3.693 0.895 1.00 0.00 O ATOM 1397 CB LEU A 128 8.040 -0.684 0.032 1.00 0.00 C ATOM 1398 CG LEU A 128 9.560 -0.978 -0.049 1.00 0.00 C ATOM 1399 CD1 LEU A 128 10.214 -1.570 -1.275 1.00 0.00 C ATOM 1400 CD2 LEU A 128 10.318 0.181 0.388 1.00 0.00 C ATOM 0 H LEU A 128 7.365 -1.563 2.572 1.00 0.00 H new ATOM 0 HA LEU A 128 6.195 -1.813 -0.146 1.00 0.00 H new ATOM 0 HB2 LEU A 128 7.713 -0.291 -0.931 1.00 0.00 H new ATOM 0 HB3 LEU A 128 7.880 0.103 0.768 1.00 0.00 H new ATOM 0 HG LEU A 128 9.597 -1.841 0.615 1.00 0.00 H new ATOM 0 HD11 LEU A 128 11.283 -1.685 -1.097 1.00 0.00 H new ATOM 0 HD12 LEU A 128 9.774 -2.545 -1.487 1.00 0.00 H new ATOM 0 HD13 LEU A 128 10.057 -0.908 -2.127 1.00 0.00 H new ATOM 0 HD21 LEU A 128 11.384 -0.037 0.327 1.00 0.00 H new ATOM 0 HD22 LEU A 128 10.084 1.031 -0.253 1.00 0.00 H new ATOM 0 HD23 LEU A 128 10.055 0.420 1.418 1.00 0.00 H new ATOM 1412 N PHE A 129 7.755 -3.495 -1.171 1.00 0.00 N ATOM 1413 CA PHE A 129 8.446 -4.638 -1.717 1.00 0.00 C ATOM 1414 C PHE A 129 7.893 -4.193 -2.987 1.00 0.00 C ATOM 1415 O PHE A 129 7.247 -4.925 -3.632 1.00 0.00 O ATOM 1416 CB PHE A 129 7.850 -5.834 -1.145 1.00 0.00 C ATOM 1417 CG PHE A 129 6.433 -6.191 -1.645 1.00 0.00 C ATOM 1418 CD1 PHE A 129 5.468 -5.208 -1.757 1.00 0.00 C ATOM 1419 CD2 PHE A 129 6.147 -7.485 -2.061 1.00 0.00 C ATOM 1420 CE1 PHE A 129 4.243 -5.536 -2.299 1.00 0.00 C ATOM 1421 CE2 PHE A 129 4.904 -7.797 -2.594 1.00 0.00 C ATOM 1422 CZ PHE A 129 3.964 -6.813 -2.711 1.00 0.00 C ATOM 0 H PHE A 129 7.153 -3.019 -1.843 1.00 0.00 H new ATOM 0 HA PHE A 129 9.508 -4.868 -1.632 1.00 0.00 H new ATOM 0 HB2 PHE A 129 8.509 -6.678 -1.350 1.00 0.00 H new ATOM 0 HB3 PHE A 129 7.812 -5.715 -0.062 1.00 0.00 H new ATOM 0 HD1 PHE A 129 5.670 -4.200 -1.426 1.00 0.00 H new ATOM 0 HD2 PHE A 129 6.898 -8.255 -1.969 1.00 0.00 H new ATOM 0 HE1 PHE A 129 3.488 -4.771 -2.401 1.00 0.00 H new ATOM 0 HE2 PHE A 129 4.683 -8.805 -2.912 1.00 0.00 H new ATOM 0 HZ PHE A 129 2.996 -7.042 -3.130 1.00 0.00 H new ATOM 1432 N LYS A 130 8.203 -2.968 -3.196 1.00 0.00 N ATOM 1433 CA LYS A 130 7.871 -2.023 -4.322 1.00 0.00 C ATOM 1434 C LYS A 130 8.552 -1.574 -5.615 1.00 0.00 C ATOM 1435 O LYS A 130 7.880 -1.615 -6.625 1.00 0.00 O ATOM 1436 CB LYS A 130 7.465 -0.733 -3.591 1.00 0.00 C ATOM 1437 CG LYS A 130 6.848 0.398 -4.499 1.00 0.00 C ATOM 1438 CD LYS A 130 7.938 1.194 -5.246 1.00 0.00 C ATOM 1439 CE LYS A 130 7.386 2.488 -5.809 1.00 0.00 C ATOM 1440 NZ LYS A 130 8.493 3.237 -6.476 1.00 0.00 N ATOM 0 H LYS A 130 8.781 -2.486 -2.507 1.00 0.00 H new ATOM 0 HA LYS A 130 7.286 -2.760 -4.871 1.00 0.00 H new ATOM 0 HB2 LYS A 130 6.741 -0.988 -2.817 1.00 0.00 H new ATOM 0 HB3 LYS A 130 8.343 -0.330 -3.087 1.00 0.00 H new ATOM 0 HG2 LYS A 130 6.165 -0.049 -5.222 1.00 0.00 H new ATOM 0 HG3 LYS A 130 6.260 1.078 -3.883 1.00 0.00 H new ATOM 0 HD2 LYS A 130 8.762 1.413 -4.566 1.00 0.00 H new ATOM 0 HD3 LYS A 130 8.345 0.587 -6.055 1.00 0.00 H new ATOM 0 HE2 LYS A 130 6.589 2.279 -6.523 1.00 0.00 H new ATOM 0 HE3 LYS A 130 6.950 3.090 -5.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 8.124 4.128 -6.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 9.239 3.446 -5.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 8.888 2.660 -7.245 1.00 0.00 H new ATOM 1454 N THR A 131 9.781 -1.155 -5.673 1.00 0.00 N ATOM 1455 CA THR A 131 10.297 -0.727 -7.005 1.00 0.00 C ATOM 1456 C THR A 131 10.341 -1.817 -8.088 1.00 0.00 C ATOM 1457 O THR A 131 9.544 -2.728 -8.096 1.00 0.00 O ATOM 1458 CB THR A 131 11.648 -0.147 -6.731 1.00 0.00 C ATOM 1459 OG1 THR A 131 11.396 0.601 -5.554 1.00 0.00 O ATOM 1460 CG2 THR A 131 12.018 0.994 -7.697 1.00 0.00 C ATOM 0 H THR A 131 10.432 -1.090 -4.891 1.00 0.00 H new ATOM 0 HA THR A 131 9.605 -0.009 -7.444 1.00 0.00 H new ATOM 0 HB THR A 131 12.401 -0.935 -6.749 1.00 0.00 H new ATOM 0 HG1 THR A 131 11.782 0.136 -4.782 1.00 0.00 H new ATOM 0 HG21 THR A 131 13.009 1.374 -7.448 1.00 0.00 H new ATOM 0 HG22 THR A 131 12.020 0.618 -8.720 1.00 0.00 H new ATOM 0 HG23 THR A 131 11.288 1.798 -7.607 1.00 0.00 H new ATOM 1468 N LYS A 132 11.270 -1.699 -8.991 1.00 0.00 N ATOM 1469 CA LYS A 132 11.396 -2.702 -10.088 1.00 0.00 C ATOM 1470 C LYS A 132 12.786 -3.337 -10.065 1.00 0.00 C ATOM 1471 O LYS A 132 13.166 -4.047 -10.974 1.00 0.00 O ATOM 1472 CB LYS A 132 11.165 -1.984 -11.407 1.00 0.00 C ATOM 1473 CG LYS A 132 12.172 -0.825 -11.484 1.00 0.00 C ATOM 1474 CD LYS A 132 12.975 -0.939 -12.774 1.00 0.00 C ATOM 1475 CE LYS A 132 12.101 -0.493 -13.941 1.00 0.00 C ATOM 1476 NZ LYS A 132 12.850 -0.693 -15.210 1.00 0.00 N ATOM 0 H LYS A 132 11.955 -0.944 -9.019 1.00 0.00 H new ATOM 0 HA LYS A 132 10.662 -3.498 -9.960 1.00 0.00 H new ATOM 0 HB2 LYS A 132 11.302 -2.668 -12.245 1.00 0.00 H new ATOM 0 HB3 LYS A 132 10.143 -1.609 -11.466 1.00 0.00 H new ATOM 0 HG2 LYS A 132 11.648 0.130 -11.452 1.00 0.00 H new ATOM 0 HG3 LYS A 132 12.840 -0.851 -10.623 1.00 0.00 H new ATOM 0 HD2 LYS A 132 13.871 -0.321 -12.716 1.00 0.00 H new ATOM 0 HD3 LYS A 132 13.306 -1.967 -12.922 1.00 0.00 H new ATOM 0 HE2 LYS A 132 11.173 -1.065 -13.957 1.00 0.00 H new ATOM 0 HE3 LYS A 132 11.827 0.556 -13.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 12.261 -0.391 -16.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 13.723 -0.129 -15.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 13.090 -1.699 -15.316 1.00 0.00 H new ATOM 1490 N THR A 133 13.503 -3.052 -9.014 1.00 0.00 N ATOM 1491 CA THR A 133 14.875 -3.600 -8.856 1.00 0.00 C ATOM 1492 C THR A 133 14.911 -4.585 -7.692 1.00 0.00 C ATOM 1493 O THR A 133 15.686 -4.446 -6.770 1.00 0.00 O ATOM 1494 CB THR A 133 15.797 -2.408 -8.619 1.00 0.00 C ATOM 1495 OG1 THR A 133 15.389 -1.901 -7.360 1.00 0.00 O ATOM 1496 CG2 THR A 133 15.387 -1.258 -9.523 1.00 0.00 C ATOM 0 H THR A 133 13.190 -2.454 -8.249 1.00 0.00 H new ATOM 0 HA THR A 133 15.197 -4.149 -9.741 1.00 0.00 H new ATOM 0 HB THR A 133 16.838 -2.707 -8.743 1.00 0.00 H new ATOM 0 HG1 THR A 133 15.938 -1.124 -7.127 1.00 0.00 H new ATOM 0 HG21 THR A 133 16.047 -0.408 -9.352 1.00 0.00 H new ATOM 0 HG22 THR A 133 15.460 -1.570 -10.565 1.00 0.00 H new ATOM 0 HG23 THR A 133 14.359 -0.970 -9.302 1.00 0.00 H new ATOM 1504 N GLY A 134 14.054 -5.565 -7.763 1.00 0.00 N ATOM 1505 CA GLY A 134 14.020 -6.579 -6.669 1.00 0.00 C ATOM 1506 C GLY A 134 12.814 -6.345 -5.765 1.00 0.00 C ATOM 1507 O GLY A 134 12.532 -7.118 -4.873 1.00 0.00 O ATOM 0 H GLY A 134 13.384 -5.708 -8.519 1.00 0.00 H new ATOM 0 HA2 GLY A 134 13.974 -7.581 -7.095 1.00 0.00 H new ATOM 0 HA3 GLY A 134 14.938 -6.523 -6.084 1.00 0.00 H new ATOM 1511 N GLU A 135 12.133 -5.265 -6.029 1.00 0.00 N ATOM 1512 CA GLU A 135 10.966 -4.835 -5.313 1.00 0.00 C ATOM 1513 C GLU A 135 9.778 -5.017 -6.306 1.00 0.00 C ATOM 1514 O GLU A 135 9.976 -5.103 -7.499 1.00 0.00 O ATOM 1515 CB GLU A 135 11.158 -3.521 -5.150 1.00 0.00 C ATOM 1516 CG GLU A 135 12.051 -3.300 -4.010 1.00 0.00 C ATOM 1517 CD GLU A 135 12.691 -1.916 -4.059 1.00 0.00 C ATOM 1518 OE1 GLU A 135 13.724 -1.841 -4.709 1.00 0.00 O ATOM 1519 OE2 GLU A 135 12.123 -1.025 -3.454 1.00 0.00 O ATOM 0 H GLU A 135 12.390 -4.631 -6.786 1.00 0.00 H new ATOM 0 HA GLU A 135 10.786 -5.359 -4.374 1.00 0.00 H new ATOM 0 HB2 GLU A 135 11.589 -3.090 -6.053 1.00 0.00 H new ATOM 0 HB3 GLU A 135 10.204 -3.021 -4.982 1.00 0.00 H new ATOM 0 HG2 GLU A 135 11.491 -3.410 -3.081 1.00 0.00 H new ATOM 0 HG3 GLU A 135 12.830 -4.062 -4.004 1.00 0.00 H new ATOM 1526 N LEU A 136 8.605 -5.092 -5.768 1.00 0.00 N ATOM 1527 CA LEU A 136 7.324 -5.233 -6.382 1.00 0.00 C ATOM 1528 C LEU A 136 6.355 -4.066 -6.572 1.00 0.00 C ATOM 1529 O LEU A 136 6.243 -3.422 -7.597 1.00 0.00 O ATOM 1530 CB LEU A 136 6.772 -6.375 -5.584 1.00 0.00 C ATOM 1531 CG LEU A 136 5.842 -7.163 -6.190 1.00 0.00 C ATOM 1532 CD1 LEU A 136 4.979 -6.369 -7.041 1.00 0.00 C ATOM 1533 CD2 LEU A 136 6.659 -8.256 -6.817 1.00 0.00 C ATOM 0 H LEU A 136 8.511 -5.050 -4.753 1.00 0.00 H new ATOM 0 HA LEU A 136 7.458 -5.361 -7.456 1.00 0.00 H new ATOM 0 HB2 LEU A 136 7.605 -7.008 -5.279 1.00 0.00 H new ATOM 0 HB3 LEU A 136 6.330 -5.969 -4.674 1.00 0.00 H new ATOM 0 HG LEU A 136 5.104 -7.629 -5.536 1.00 0.00 H new ATOM 0 HD11 LEU A 136 4.242 -7.016 -7.517 1.00 0.00 H new ATOM 0 HD12 LEU A 136 4.467 -5.617 -6.440 1.00 0.00 H new ATOM 0 HD13 LEU A 136 5.577 -5.876 -7.807 1.00 0.00 H new ATOM 0 HD21 LEU A 136 5.999 -8.952 -7.336 1.00 0.00 H new ATOM 0 HD22 LEU A 136 7.361 -7.823 -7.529 1.00 0.00 H new ATOM 0 HD23 LEU A 136 7.210 -8.788 -6.042 1.00 0.00 H new ATOM 1545 N SER A 137 5.689 -3.903 -5.476 1.00 0.00 N ATOM 1546 CA SER A 137 4.625 -2.887 -5.299 1.00 0.00 C ATOM 1547 C SER A 137 4.428 -2.634 -3.840 1.00 0.00 C ATOM 1548 O SER A 137 5.319 -2.817 -3.045 1.00 0.00 O ATOM 1549 CB SER A 137 3.325 -3.387 -5.969 1.00 0.00 C ATOM 1550 OG SER A 137 2.815 -2.167 -6.474 1.00 0.00 O ATOM 0 H SER A 137 5.850 -4.469 -4.643 1.00 0.00 H new ATOM 0 HA SER A 137 4.910 -1.948 -5.773 1.00 0.00 H new ATOM 0 HB2 SER A 137 3.517 -4.115 -6.757 1.00 0.00 H new ATOM 0 HB3 SER A 137 2.646 -3.859 -5.258 1.00 0.00 H new ATOM 0 HG SER A 137 2.038 -1.893 -5.944 1.00 0.00 H new ATOM 1556 N ILE A 138 3.257 -2.199 -3.516 1.00 0.00 N ATOM 1557 CA ILE A 138 3.015 -1.953 -2.062 1.00 0.00 C ATOM 1558 C ILE A 138 2.311 -3.126 -1.462 1.00 0.00 C ATOM 1559 O ILE A 138 1.531 -3.778 -2.110 1.00 0.00 O ATOM 1560 CB ILE A 138 2.181 -0.749 -1.897 1.00 0.00 C ATOM 1561 CG1 ILE A 138 3.184 0.335 -1.992 1.00 0.00 C ATOM 1562 CG2 ILE A 138 1.527 -0.732 -0.495 1.00 0.00 C ATOM 1563 CD1 ILE A 138 2.521 1.505 -2.712 1.00 0.00 C ATOM 0 H ILE A 138 2.482 -2.007 -4.151 1.00 0.00 H new ATOM 0 HA ILE A 138 3.972 -1.808 -1.560 1.00 0.00 H new ATOM 0 HB ILE A 138 1.368 -0.676 -2.620 1.00 0.00 H new ATOM 0 HG12 ILE A 138 3.520 0.635 -1.000 1.00 0.00 H new ATOM 0 HG13 ILE A 138 4.065 -0.003 -2.538 1.00 0.00 H new ATOM 0 HG21 ILE A 138 0.915 0.164 -0.390 1.00 0.00 H new ATOM 0 HG22 ILE A 138 0.901 -1.616 -0.375 1.00 0.00 H new ATOM 0 HG23 ILE A 138 2.304 -0.732 0.269 1.00 0.00 H new ATOM 0 HD11 ILE A 138 3.231 2.327 -2.802 1.00 0.00 H new ATOM 0 HD12 ILE A 138 2.205 1.189 -3.706 1.00 0.00 H new ATOM 0 HD13 ILE A 138 1.652 1.837 -2.144 1.00 0.00 H new ATOM 1575 N HIS A 139 2.619 -3.356 -0.225 1.00 0.00 N ATOM 1576 CA HIS A 139 1.975 -4.510 0.488 1.00 0.00 C ATOM 1577 C HIS A 139 1.141 -4.134 1.720 1.00 0.00 C ATOM 1578 O HIS A 139 1.495 -4.357 2.862 1.00 0.00 O ATOM 1579 CB HIS A 139 3.111 -5.523 0.822 1.00 0.00 C ATOM 1580 CG HIS A 139 2.565 -6.779 1.552 1.00 0.00 C ATOM 1581 ND1 HIS A 139 3.243 -7.864 1.749 1.00 0.00 N ATOM 1582 CD2 HIS A 139 1.329 -7.071 2.129 1.00 0.00 C ATOM 1583 CE1 HIS A 139 2.516 -8.739 2.375 1.00 0.00 C ATOM 1584 NE2 HIS A 139 1.318 -8.287 2.629 1.00 0.00 N ATOM 0 H HIS A 139 3.279 -2.809 0.328 1.00 0.00 H new ATOM 0 HA HIS A 139 1.228 -4.952 -0.171 1.00 0.00 H new ATOM 0 HB2 HIS A 139 3.611 -5.826 -0.098 1.00 0.00 H new ATOM 0 HB3 HIS A 139 3.860 -5.036 1.446 1.00 0.00 H new ATOM 0 HD1 HIS A 139 4.209 -8.010 1.455 1.00 0.00 H new ATOM 0 HD2 HIS A 139 0.492 -6.389 2.161 1.00 0.00 H new ATOM 0 HE1 HIS A 139 2.861 -9.724 2.653 1.00 0.00 H new ATOM 1592 N CYS A 140 0.023 -3.545 1.371 1.00 0.00 N ATOM 1593 CA CYS A 140 -1.012 -3.060 2.331 1.00 0.00 C ATOM 1594 C CYS A 140 -1.264 -3.883 3.590 1.00 0.00 C ATOM 1595 O CYS A 140 -1.542 -5.075 3.545 1.00 0.00 O ATOM 1596 CB CYS A 140 -2.328 -2.916 1.599 1.00 0.00 C ATOM 1597 SG CYS A 140 -3.788 -2.644 2.632 1.00 0.00 S ATOM 0 H CYS A 140 -0.224 -3.373 0.397 1.00 0.00 H new ATOM 0 HA CYS A 140 -0.595 -2.122 2.699 1.00 0.00 H new ATOM 0 HB2 CYS A 140 -2.242 -2.084 0.900 1.00 0.00 H new ATOM 0 HB3 CYS A 140 -2.491 -3.816 1.005 1.00 0.00 H new ATOM 0 HG CYS A 140 -4.605 -1.836 2.024 1.00 0.00 H new ATOM 1603 N THR A 141 -1.138 -3.111 4.646 1.00 0.00 N ATOM 1604 CA THR A 141 -1.315 -3.547 6.054 1.00 0.00 C ATOM 1605 C THR A 141 -2.347 -2.658 6.750 1.00 0.00 C ATOM 1606 O THR A 141 -3.200 -3.197 7.423 1.00 0.00 O ATOM 1607 CB THR A 141 -0.014 -3.454 6.792 1.00 0.00 C ATOM 1608 OG1 THR A 141 0.562 -2.231 6.370 1.00 0.00 O ATOM 1609 CG2 THR A 141 0.876 -4.606 6.351 1.00 0.00 C ATOM 0 H THR A 141 -0.901 -2.122 4.568 1.00 0.00 H new ATOM 0 HA THR A 141 -1.660 -4.581 6.055 1.00 0.00 H new ATOM 0 HB THR A 141 -0.138 -3.498 7.874 1.00 0.00 H new ATOM 0 HG1 THR A 141 1.525 -2.244 6.549 1.00 0.00 H new ATOM 0 HG21 THR A 141 1.828 -4.553 6.879 1.00 0.00 H new ATOM 0 HG22 THR A 141 0.386 -5.552 6.580 1.00 0.00 H new ATOM 0 HG23 THR A 141 1.053 -4.539 5.277 1.00 0.00 H new ATOM 1617 N GLU A 142 -2.286 -1.347 6.615 1.00 0.00 N ATOM 1618 CA GLU A 142 -3.321 -0.548 7.314 1.00 0.00 C ATOM 1619 C GLU A 142 -3.930 0.501 6.422 1.00 0.00 C ATOM 1620 O GLU A 142 -3.372 0.924 5.427 1.00 0.00 O ATOM 1621 CB GLU A 142 -2.706 0.120 8.560 1.00 0.00 C ATOM 1622 CG GLU A 142 -2.620 -0.929 9.683 1.00 0.00 C ATOM 1623 CD GLU A 142 -4.031 -1.427 10.050 1.00 0.00 C ATOM 1624 OE1 GLU A 142 -4.968 -0.673 9.836 1.00 0.00 O ATOM 1625 OE2 GLU A 142 -4.091 -2.546 10.533 1.00 0.00 O ATOM 0 H GLU A 142 -1.594 -0.827 6.075 1.00 0.00 H new ATOM 0 HA GLU A 142 -4.119 -1.229 7.609 1.00 0.00 H new ATOM 0 HB2 GLU A 142 -1.715 0.511 8.330 1.00 0.00 H new ATOM 0 HB3 GLU A 142 -3.317 0.965 8.877 1.00 0.00 H new ATOM 0 HG2 GLU A 142 -2.002 -1.767 9.362 1.00 0.00 H new ATOM 0 HG3 GLU A 142 -2.139 -0.496 10.560 1.00 0.00 H new ATOM 1632 N LEU A 143 -5.097 0.879 6.852 1.00 0.00 N ATOM 1633 CA LEU A 143 -5.892 1.904 6.135 1.00 0.00 C ATOM 1634 C LEU A 143 -6.222 3.057 7.053 1.00 0.00 C ATOM 1635 O LEU A 143 -6.866 2.874 8.067 1.00 0.00 O ATOM 1636 CB LEU A 143 -7.192 1.307 5.647 1.00 0.00 C ATOM 1637 CG LEU A 143 -7.024 0.431 4.419 1.00 0.00 C ATOM 1638 CD1 LEU A 143 -6.420 -0.940 4.720 1.00 0.00 C ATOM 1639 CD2 LEU A 143 -8.414 0.231 3.871 1.00 0.00 C ATOM 0 H LEU A 143 -5.543 0.510 7.692 1.00 0.00 H new ATOM 0 HA LEU A 143 -5.298 2.258 5.293 1.00 0.00 H new ATOM 0 HB2 LEU A 143 -7.637 0.717 6.448 1.00 0.00 H new ATOM 0 HB3 LEU A 143 -7.891 2.112 5.418 1.00 0.00 H new ATOM 0 HG LEU A 143 -6.337 0.919 3.727 1.00 0.00 H new ATOM 0 HD11 LEU A 143 -6.330 -1.509 3.795 1.00 0.00 H new ATOM 0 HD12 LEU A 143 -5.433 -0.813 5.165 1.00 0.00 H new ATOM 0 HD13 LEU A 143 -7.065 -1.477 5.415 1.00 0.00 H new ATOM 0 HD21 LEU A 143 -8.367 -0.395 2.980 1.00 0.00 H new ATOM 0 HD22 LEU A 143 -9.035 -0.255 4.623 1.00 0.00 H new ATOM 0 HD23 LEU A 143 -8.846 1.198 3.613 1.00 0.00 H new ATOM 1651 N ARG A 144 -5.767 4.214 6.664 1.00 0.00 N ATOM 1652 CA ARG A 144 -6.046 5.406 7.494 1.00 0.00 C ATOM 1653 C ARG A 144 -6.884 6.398 6.703 1.00 0.00 C ATOM 1654 O ARG A 144 -6.394 7.291 6.035 1.00 0.00 O ATOM 1655 CB ARG A 144 -4.751 6.126 7.951 1.00 0.00 C ATOM 1656 CG ARG A 144 -3.922 5.251 8.900 1.00 0.00 C ATOM 1657 CD ARG A 144 -3.051 4.223 8.154 1.00 0.00 C ATOM 1658 NE ARG A 144 -2.235 3.540 9.202 1.00 0.00 N ATOM 1659 CZ ARG A 144 -0.929 3.594 9.191 1.00 0.00 C ATOM 1660 NH1 ARG A 144 -0.326 4.663 8.743 1.00 0.00 N ATOM 1661 NH2 ARG A 144 -0.265 2.564 9.642 1.00 0.00 N ATOM 0 H ARG A 144 -5.222 4.381 5.818 1.00 0.00 H new ATOM 0 HA ARG A 144 -6.578 5.056 8.379 1.00 0.00 H new ATOM 0 HB2 ARG A 144 -4.152 6.386 7.079 1.00 0.00 H new ATOM 0 HB3 ARG A 144 -5.010 7.060 8.450 1.00 0.00 H new ATOM 0 HG2 ARG A 144 -3.282 5.889 9.509 1.00 0.00 H new ATOM 0 HG3 ARG A 144 -4.592 4.727 9.582 1.00 0.00 H new ATOM 0 HD2 ARG A 144 -3.669 3.507 7.612 1.00 0.00 H new ATOM 0 HD3 ARG A 144 -2.412 4.713 7.419 1.00 0.00 H new ATOM 0 HE ARG A 144 -2.707 3.020 9.942 1.00 0.00 H new ATOM 0 HH11 ARG A 144 -0.874 5.453 8.403 1.00 0.00 H new ATOM 0 HH12 ARG A 144 0.693 4.708 8.733 1.00 0.00 H new ATOM 0 HH21 ARG A 144 -0.766 1.747 9.990 1.00 0.00 H new ATOM 0 HH22 ARG A 144 0.755 2.577 9.646 1.00 0.00 H new ATOM 1675 N LEU A 145 -8.164 6.166 6.803 1.00 0.00 N ATOM 1676 CA LEU A 145 -9.151 7.007 6.139 1.00 0.00 C ATOM 1677 C LEU A 145 -9.315 8.302 6.913 1.00 0.00 C ATOM 1678 O LEU A 145 -9.051 8.359 8.099 1.00 0.00 O ATOM 1679 CB LEU A 145 -10.365 6.102 6.081 1.00 0.00 C ATOM 1680 CG LEU A 145 -10.318 5.240 4.938 1.00 0.00 C ATOM 1681 CD1 LEU A 145 -10.064 5.981 3.737 1.00 0.00 C ATOM 1682 CD2 LEU A 145 -9.447 4.009 4.951 1.00 0.00 C ATOM 0 H LEU A 145 -8.562 5.396 7.341 1.00 0.00 H new ATOM 0 HA LEU A 145 -8.901 7.354 5.137 1.00 0.00 H new ATOM 0 HB2 LEU A 145 -10.418 5.502 6.990 1.00 0.00 H new ATOM 0 HB3 LEU A 145 -11.271 6.707 6.046 1.00 0.00 H new ATOM 0 HG LEU A 145 -11.323 4.819 4.981 1.00 0.00 H new ATOM 0 HD11 LEU A 145 -10.034 5.298 2.888 1.00 0.00 H new ATOM 0 HD12 LEU A 145 -10.857 6.713 3.587 1.00 0.00 H new ATOM 0 HD13 LEU A 145 -9.107 6.496 3.823 1.00 0.00 H new ATOM 0 HD21 LEU A 145 -9.544 3.485 4.000 1.00 0.00 H new ATOM 0 HD22 LEU A 145 -8.407 4.300 5.101 1.00 0.00 H new ATOM 0 HD23 LEU A 145 -9.760 3.351 5.761 1.00 0.00 H new ATOM 1694 N LEU A 146 -9.746 9.320 6.212 1.00 0.00 N ATOM 1695 CA LEU A 146 -9.939 10.622 6.748 1.00 0.00 C ATOM 1696 C LEU A 146 -11.349 11.153 7.124 1.00 0.00 C ATOM 1697 O LEU A 146 -12.155 10.682 7.901 1.00 0.00 O ATOM 1698 CB LEU A 146 -9.186 11.286 5.636 1.00 0.00 C ATOM 1699 CG LEU A 146 -10.180 11.424 4.306 1.00 0.00 C ATOM 1700 CD1 LEU A 146 -9.248 12.001 3.322 1.00 0.00 C ATOM 1701 CD2 LEU A 146 -11.414 10.252 4.044 1.00 0.00 C ATOM 0 H LEU A 146 -9.977 9.252 5.221 1.00 0.00 H new ATOM 0 HA LEU A 146 -9.622 10.776 7.779 1.00 0.00 H new ATOM 0 HB2 LEU A 146 -8.842 12.271 5.951 1.00 0.00 H new ATOM 0 HB3 LEU A 146 -8.299 10.704 5.383 1.00 0.00 H new ATOM 0 HG LEU A 146 -11.062 12.063 4.344 1.00 0.00 H new ATOM 0 HD11 LEU A 146 -9.767 12.153 2.375 1.00 0.00 H new ATOM 0 HD12 LEU A 146 -8.877 12.957 3.690 1.00 0.00 H new ATOM 0 HD13 LEU A 146 -8.410 11.320 3.172 1.00 0.00 H new ATOM 0 HD21 LEU A 146 -11.962 10.498 3.135 1.00 0.00 H new ATOM 0 HD22 LEU A 146 -10.963 9.265 3.940 1.00 0.00 H new ATOM 0 HD23 LEU A 146 -12.099 10.250 4.892 1.00 0.00 H new ATOM 1713 N THR A 147 -11.405 12.201 6.381 1.00 0.00 N ATOM 1714 CA THR A 147 -12.353 13.276 6.120 1.00 0.00 C ATOM 1715 C THR A 147 -13.129 13.180 4.765 1.00 0.00 C ATOM 1716 O THR A 147 -13.378 12.153 4.150 1.00 0.00 O ATOM 1717 CB THR A 147 -11.460 14.587 6.338 1.00 0.00 C ATOM 1718 OG1 THR A 147 -12.324 15.712 6.436 1.00 0.00 O ATOM 1719 CG2 THR A 147 -10.457 14.933 5.226 1.00 0.00 C ATOM 0 H THR A 147 -10.589 12.375 5.794 1.00 0.00 H new ATOM 0 HA THR A 147 -13.215 13.252 6.787 1.00 0.00 H new ATOM 0 HB THR A 147 -10.880 14.363 7.233 1.00 0.00 H new ATOM 0 HG1 THR A 147 -11.995 16.429 5.854 1.00 0.00 H new ATOM 0 HG21 THR A 147 -9.916 15.840 5.494 1.00 0.00 H new ATOM 0 HG22 THR A 147 -9.751 14.112 5.104 1.00 0.00 H new ATOM 0 HG23 THR A 147 -10.992 15.093 4.290 1.00 0.00 H new ATOM 1727 N LYS A 148 -13.281 14.363 4.290 1.00 0.00 N ATOM 1728 CA LYS A 148 -14.021 14.807 3.091 1.00 0.00 C ATOM 1729 C LYS A 148 -15.016 13.945 2.329 1.00 0.00 C ATOM 1730 O LYS A 148 -15.487 12.938 2.806 1.00 0.00 O ATOM 1731 CB LYS A 148 -12.903 15.282 2.210 1.00 0.00 C ATOM 1732 CG LYS A 148 -12.599 16.759 2.447 1.00 0.00 C ATOM 1733 CD LYS A 148 -11.384 17.080 1.588 1.00 0.00 C ATOM 1734 CE LYS A 148 -10.938 18.519 1.847 1.00 0.00 C ATOM 1735 NZ LYS A 148 -11.164 19.351 0.632 1.00 0.00 N ATOM 0 H LYS A 148 -12.853 15.159 4.763 1.00 0.00 H new ATOM 0 HA LYS A 148 -14.776 15.510 3.444 1.00 0.00 H new ATOM 0 HB2 LYS A 148 -12.009 14.689 2.402 1.00 0.00 H new ATOM 0 HB3 LYS A 148 -13.170 15.127 1.165 1.00 0.00 H new ATOM 0 HG2 LYS A 148 -13.449 17.382 2.169 1.00 0.00 H new ATOM 0 HG3 LYS A 148 -12.394 16.951 3.500 1.00 0.00 H new ATOM 0 HD2 LYS A 148 -10.572 16.390 1.817 1.00 0.00 H new ATOM 0 HD3 LYS A 148 -11.627 16.948 0.534 1.00 0.00 H new ATOM 0 HE2 LYS A 148 -11.492 18.934 2.689 1.00 0.00 H new ATOM 0 HE3 LYS A 148 -9.883 18.538 2.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 148 -10.858 20.327 0.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 148 -10.617 18.962 -0.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 148 -12.176 19.346 0.391 1.00 0.00 H new ATOM 1749 N ALA A 149 -15.301 14.478 1.183 1.00 0.00 N ATOM 1750 CA ALA A 149 -16.260 14.007 0.148 1.00 0.00 C ATOM 1751 C ALA A 149 -16.689 12.561 0.093 1.00 0.00 C ATOM 1752 O ALA A 149 -16.393 12.000 -0.935 1.00 0.00 O ATOM 1753 CB ALA A 149 -15.667 14.464 -1.166 1.00 0.00 C ATOM 1754 OXT ALA A 149 -17.285 12.092 1.049 1.00 0.00 O ATOM 0 H ALA A 149 -14.840 15.339 0.889 1.00 0.00 H new ATOM 0 HA ALA A 149 -17.223 14.441 0.416 1.00 0.00 H new ATOM 0 HB1 ALA A 149 -16.316 14.155 -1.985 1.00 0.00 H new ATOM 0 HB2 ALA A 149 -15.575 15.550 -1.166 1.00 0.00 H new ATOM 0 HB3 ALA A 149 -14.682 14.017 -1.296 1.00 0.00 H new TER 1760 ALA A 149