USER MOD reduce.3.24.130724 H: found=0, std=0, add=1001, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 998 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 53 THR OG1 : rot 180:sc= -0.076 USER MOD Set 1.2: A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 170:sc= -0.193 (180deg=-0.397) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 72:sc= 0.723 USER MOD Single : A 14 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00915) USER MOD Single : A 16 LYS NZ :NH3+ -170:sc=-0.00539 (180deg=-0.211) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= -1.98! USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN :FLIP amide:sc= -0.115 F(o=-1.1,f=-0.12) USER MOD Single : A 40 ASN : amide:sc= -1.74 X(o=-1.7,f=-1.8) USER MOD Single : A 41 GLN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 43 GLN :FLIP amide:sc= -1.47 F(o=-3.7!,f=-1.5) USER MOD Single : A 44 ASN : amide:sc= -0.795 X(o=-0.79,f=-0.79) USER MOD Single : A 50 ASN : amide:sc= -0.014 K(o=-0.014,f=-4!) USER MOD Single : A 62 LYS NZ :NH3+ 172:sc= 0.925 (180deg=0.887) USER MOD Single : A 69 TYR OH : rot -15:sc= -0.0532 USER MOD Single : A 71 GLN : amide:sc= -0.0757 K(o=-0.076,f=-2.1!) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= -1.38 K(o=-1.4,f=-2.4!) USER MOD Single : A 84 HIS : no HD1:sc= -0.492 K(o=-0.49,f=-1.6) USER MOD Single : A 87 TYR OH : rot 150:sc= -1.54! USER MOD Single : A 88 MET CE :methyl -158:sc= -0.562 (180deg=-1.42) USER MOD Single : A 98 THR OG1 : rot 105:sc= -0.204 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 THR OG1 : rot 84:sc= 1.2 USER MOD Single : A 111 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0534) USER MOD Single : A 112 GLN : amide:sc= -0.208 X(o=-0.21,f=-0.21) USER MOD Single : A 115 THR OG1 : rot 108:sc= 1.27 USER MOD Single : A 116 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.905 1.974 -4.338 1.00 15.44 N ATOM 2 CA MET A 1 -0.702 0.915 -5.321 1.00 3.31 C ATOM 3 C MET A 1 0.322 -0.100 -4.823 1.00 74.14 C ATOM 4 O MET A 1 0.959 -0.792 -5.616 1.00 71.53 O ATOM 5 CB MET A 1 -0.243 1.509 -6.654 1.00 63.25 C ATOM 6 CG MET A 1 0.587 2.773 -6.503 1.00 72.34 C ATOM 7 SD MET A 1 2.129 2.490 -5.613 1.00 74.21 S ATOM 8 CE MET A 1 2.813 4.145 -5.584 1.00 74.05 C ATOM 0 H1 MET A 1 -1.471 2.737 -4.761 1.00 15.44 H new ATOM 0 H2 MET A 1 -1.406 1.589 -3.512 1.00 15.44 H new ATOM 0 H3 MET A 1 0.017 2.352 -4.039 1.00 15.44 H new ATOM 0 HA MET A 1 -1.653 0.402 -5.468 1.00 3.31 H new ATOM 0 HB2 MET A 1 0.341 0.763 -7.193 1.00 63.25 H new ATOM 0 HB3 MET A 1 -1.119 1.730 -7.264 1.00 63.25 H new ATOM 0 HG2 MET A 1 0.811 3.176 -7.491 1.00 72.34 H new ATOM 0 HG3 MET A 1 0.001 3.527 -5.977 1.00 72.34 H new ATOM 0 HE1 MET A 1 3.771 4.134 -5.065 1.00 74.05 H new ATOM 0 HE2 MET A 1 2.958 4.497 -6.605 1.00 74.05 H new ATOM 0 HE3 MET A 1 2.127 4.813 -5.064 1.00 74.05 H new ATOM 18 N SER A 2 0.474 -0.182 -3.505 1.00 74.23 N ATOM 19 CA SER A 2 1.425 -1.110 -2.902 1.00 34.35 C ATOM 20 C SER A 2 0.864 -2.529 -2.890 1.00 3.11 C ATOM 21 O SER A 2 1.590 -3.496 -3.122 1.00 53.21 O ATOM 22 CB SER A 2 1.763 -0.671 -1.476 1.00 53.05 C ATOM 23 OG SER A 2 2.387 0.601 -1.469 1.00 72.31 O ATOM 0 H SER A 2 -0.048 0.382 -2.835 1.00 74.23 H new ATOM 0 HA SER A 2 2.335 -1.102 -3.502 1.00 34.35 H new ATOM 0 HB2 SER A 2 0.853 -0.636 -0.877 1.00 53.05 H new ATOM 0 HB3 SER A 2 2.422 -1.405 -1.012 1.00 53.05 H new ATOM 0 HG SER A 2 2.591 0.860 -0.546 1.00 72.31 H new ATOM 29 N SER A 3 -0.431 -2.645 -2.617 1.00 72.01 N ATOM 30 CA SER A 3 -1.089 -3.945 -2.571 1.00 24.41 C ATOM 31 C SER A 3 -2.239 -4.009 -3.572 1.00 2.44 C ATOM 32 O SER A 3 -3.375 -4.307 -3.209 1.00 21.24 O ATOM 33 CB SER A 3 -1.611 -4.226 -1.160 1.00 44.53 C ATOM 34 OG SER A 3 -0.634 -3.912 -0.183 1.00 72.50 O ATOM 0 H SER A 3 -1.046 -1.854 -2.424 1.00 72.01 H new ATOM 0 HA SER A 3 -0.355 -4.705 -2.838 1.00 24.41 H new ATOM 0 HB2 SER A 3 -2.512 -3.640 -0.979 1.00 44.53 H new ATOM 0 HB3 SER A 3 -1.891 -5.276 -1.075 1.00 44.53 H new ATOM 0 HG SER A 3 -0.992 -4.099 0.710 1.00 72.50 H new ATOM 40 N GLU A 4 -1.931 -3.728 -4.834 1.00 74.53 N ATOM 41 CA GLU A 4 -2.938 -3.752 -5.889 1.00 44.43 C ATOM 42 C GLU A 4 -3.628 -5.112 -5.950 1.00 72.00 C ATOM 43 O GLU A 4 -4.796 -5.212 -6.327 1.00 41.22 O ATOM 44 CB GLU A 4 -2.300 -3.430 -7.242 1.00 55.41 C ATOM 45 CG GLU A 4 -2.155 -1.941 -7.507 1.00 51.52 C ATOM 46 CD GLU A 4 -2.157 -1.610 -8.987 1.00 0.52 C ATOM 47 OE1 GLU A 4 -1.740 -2.472 -9.788 1.00 52.33 O1- ATOM 48 OE2 GLU A 4 -2.578 -0.489 -9.344 1.00 44.14 O ATOM 0 H GLU A 4 -0.993 -3.481 -5.151 1.00 74.53 H new ATOM 0 HA GLU A 4 -3.686 -2.993 -5.660 1.00 44.43 H new ATOM 0 HB2 GLU A 4 -1.316 -3.897 -7.291 1.00 55.41 H new ATOM 0 HB3 GLU A 4 -2.903 -3.874 -8.034 1.00 55.41 H new ATOM 0 HG2 GLU A 4 -2.970 -1.407 -7.018 1.00 51.52 H new ATOM 0 HG3 GLU A 4 -1.227 -1.585 -7.060 1.00 51.52 H new ATOM 55 N LEU A 5 -2.897 -6.157 -5.579 1.00 43.24 N ATOM 56 CA LEU A 5 -3.438 -7.512 -5.591 1.00 13.32 C ATOM 57 C LEU A 5 -4.734 -7.589 -4.791 1.00 63.44 C ATOM 58 O LEU A 5 -5.649 -8.335 -5.141 1.00 51.25 O ATOM 59 CB LEU A 5 -2.414 -8.496 -5.023 1.00 63.32 C ATOM 60 CG LEU A 5 -2.229 -8.469 -3.505 1.00 2.52 C ATOM 61 CD1 LEU A 5 -1.465 -9.699 -3.039 1.00 32.23 C ATOM 62 CD2 LEU A 5 -1.510 -7.198 -3.078 1.00 74.41 C ATOM 0 H LEU A 5 -1.928 -6.092 -5.266 1.00 43.24 H new ATOM 0 HA LEU A 5 -3.656 -7.781 -6.625 1.00 13.32 H new ATOM 0 HB2 LEU A 5 -2.707 -9.504 -5.316 1.00 63.32 H new ATOM 0 HB3 LEU A 5 -1.450 -8.296 -5.490 1.00 63.32 H new ATOM 0 HG LEU A 5 -3.214 -8.480 -3.037 1.00 2.52 H new ATOM 0 HD11 LEU A 5 -1.343 -9.663 -1.956 1.00 32.23 H new ATOM 0 HD12 LEU A 5 -2.020 -10.597 -3.312 1.00 32.23 H new ATOM 0 HD13 LEU A 5 -0.484 -9.720 -3.514 1.00 32.23 H new ATOM 0 HD21 LEU A 5 -1.387 -7.196 -1.995 1.00 74.41 H new ATOM 0 HD22 LEU A 5 -0.531 -7.156 -3.554 1.00 74.41 H new ATOM 0 HD23 LEU A 5 -2.097 -6.330 -3.378 1.00 74.41 H new ATOM 74 N LEU A 6 -4.806 -6.812 -3.716 1.00 10.52 N ATOM 75 CA LEU A 6 -5.991 -6.790 -2.866 1.00 13.21 C ATOM 76 C LEU A 6 -7.169 -6.148 -3.591 1.00 51.12 C ATOM 77 O LEU A 6 -8.303 -6.619 -3.492 1.00 73.12 O ATOM 78 CB LEU A 6 -5.700 -6.030 -1.571 1.00 44.03 C ATOM 79 CG LEU A 6 -4.556 -6.577 -0.714 1.00 1.52 C ATOM 80 CD1 LEU A 6 -4.222 -5.609 0.410 1.00 31.20 C ATOM 81 CD2 LEU A 6 -4.916 -7.945 -0.154 1.00 22.10 C ATOM 0 H LEU A 6 -4.058 -6.189 -3.412 1.00 10.52 H new ATOM 0 HA LEU A 6 -6.254 -7.820 -2.625 1.00 13.21 H new ATOM 0 HB2 LEU A 6 -5.475 -4.994 -1.824 1.00 44.03 H new ATOM 0 HB3 LEU A 6 -6.607 -6.020 -0.967 1.00 44.03 H new ATOM 0 HG LEU A 6 -3.674 -6.686 -1.345 1.00 1.52 H new ATOM 0 HD11 LEU A 6 -3.407 -6.014 1.009 1.00 31.20 H new ATOM 0 HD12 LEU A 6 -3.920 -4.651 -0.013 1.00 31.20 H new ATOM 0 HD13 LEU A 6 -5.100 -5.467 1.041 1.00 31.20 H new ATOM 0 HD21 LEU A 6 -4.091 -8.318 0.453 1.00 22.10 H new ATOM 0 HD22 LEU A 6 -5.811 -7.862 0.462 1.00 22.10 H new ATOM 0 HD23 LEU A 6 -5.104 -8.636 -0.975 1.00 22.10 H new ATOM 93 N ASP A 7 -6.894 -5.074 -4.322 1.00 4.52 N ATOM 94 CA ASP A 7 -7.930 -4.370 -5.067 1.00 25.12 C ATOM 95 C ASP A 7 -8.462 -5.233 -6.207 1.00 33.21 C ATOM 96 O ASP A 7 -9.635 -5.147 -6.569 1.00 24.02 O ATOM 97 CB ASP A 7 -7.384 -3.052 -5.620 1.00 34.32 C ATOM 98 CG ASP A 7 -8.445 -1.971 -5.695 1.00 10.52 C ATOM 99 OD1 ASP A 7 -9.463 -2.187 -6.385 1.00 22.32 O1- ATOM 100 OD2 ASP A 7 -8.257 -0.910 -5.063 1.00 34.22 O ATOM 0 H ASP A 7 -5.961 -4.672 -4.415 1.00 4.52 H new ATOM 0 HA ASP A 7 -8.752 -4.156 -4.384 1.00 25.12 H new ATOM 0 HB2 ASP A 7 -6.564 -2.709 -4.989 1.00 34.32 H new ATOM 0 HB3 ASP A 7 -6.972 -3.222 -6.615 1.00 34.32 H new ATOM 105 N ALA A 8 -7.590 -6.063 -6.770 1.00 74.43 N ATOM 106 CA ALA A 8 -7.972 -6.943 -7.868 1.00 44.45 C ATOM 107 C ALA A 8 -9.066 -7.914 -7.438 1.00 72.11 C ATOM 108 O ALA A 8 -10.118 -8.000 -8.072 1.00 71.43 O ATOM 109 CB ALA A 8 -6.758 -7.704 -8.380 1.00 72.11 C ATOM 0 H ALA A 8 -6.614 -6.145 -6.484 1.00 74.43 H new ATOM 0 HA ALA A 8 -8.368 -6.327 -8.675 1.00 44.45 H new ATOM 0 HB1 ALA A 8 -7.057 -8.357 -9.200 1.00 72.11 H new ATOM 0 HB2 ALA A 8 -6.008 -6.997 -8.735 1.00 72.11 H new ATOM 0 HB3 ALA A 8 -6.338 -8.304 -7.573 1.00 72.11 H new ATOM 115 N LEU A 9 -8.811 -8.646 -6.359 1.00 65.10 N ATOM 116 CA LEU A 9 -9.774 -9.613 -5.845 1.00 30.43 C ATOM 117 C LEU A 9 -11.097 -8.935 -5.506 1.00 2.51 C ATOM 118 O LEU A 9 -12.159 -9.556 -5.564 1.00 14.11 O ATOM 119 CB LEU A 9 -9.213 -10.311 -4.605 1.00 54.45 C ATOM 120 CG LEU A 9 -7.836 -10.955 -4.763 1.00 52.20 C ATOM 121 CD1 LEU A 9 -7.026 -10.804 -3.484 1.00 21.41 C ATOM 122 CD2 LEU A 9 -7.974 -12.423 -5.138 1.00 32.24 C ATOM 0 H LEU A 9 -7.945 -8.588 -5.823 1.00 65.10 H new ATOM 0 HA LEU A 9 -9.956 -10.356 -6.621 1.00 30.43 H new ATOM 0 HB2 LEU A 9 -9.161 -9.583 -3.795 1.00 54.45 H new ATOM 0 HB3 LEU A 9 -9.919 -11.082 -4.296 1.00 54.45 H new ATOM 0 HG LEU A 9 -7.307 -10.443 -5.567 1.00 52.20 H new ATOM 0 HD11 LEU A 9 -6.049 -11.268 -3.615 1.00 21.41 H new ATOM 0 HD12 LEU A 9 -6.897 -9.746 -3.258 1.00 21.41 H new ATOM 0 HD13 LEU A 9 -7.551 -11.290 -2.661 1.00 21.41 H new ATOM 0 HD21 LEU A 9 -6.984 -12.865 -5.246 1.00 32.24 H new ATOM 0 HD22 LEU A 9 -8.523 -12.948 -4.356 1.00 32.24 H new ATOM 0 HD23 LEU A 9 -8.515 -12.508 -6.081 1.00 32.24 H new ATOM 134 N THR A 10 -11.028 -7.654 -5.154 1.00 42.42 N ATOM 135 CA THR A 10 -12.221 -6.891 -4.807 1.00 45.22 C ATOM 136 C THR A 10 -13.093 -6.647 -6.033 1.00 33.22 C ATOM 137 O THR A 10 -14.302 -6.872 -6.001 1.00 71.53 O ATOM 138 CB THR A 10 -11.855 -5.536 -4.171 1.00 10.42 C ATOM 139 OG1 THR A 10 -11.029 -5.742 -3.020 1.00 72.25 O ATOM 140 CG2 THR A 10 -13.108 -4.771 -3.774 1.00 62.04 C ATOM 0 H THR A 10 -10.158 -7.124 -5.102 1.00 42.42 H new ATOM 0 HA THR A 10 -12.778 -7.485 -4.082 1.00 45.22 H new ATOM 0 HB THR A 10 -11.308 -4.948 -4.908 1.00 10.42 H new ATOM 0 HG1 THR A 10 -10.139 -6.036 -3.305 1.00 72.25 H new ATOM 0 HG21 THR A 10 -12.826 -3.818 -3.327 1.00 62.04 H new ATOM 0 HG22 THR A 10 -13.720 -4.591 -4.658 1.00 62.04 H new ATOM 0 HG23 THR A 10 -13.678 -5.356 -3.052 1.00 62.04 H new ATOM 148 N ILE A 11 -12.470 -6.185 -7.113 1.00 32.10 N ATOM 149 CA ILE A 11 -13.191 -5.911 -8.350 1.00 21.23 C ATOM 150 C ILE A 11 -13.985 -7.130 -8.806 1.00 62.33 C ATOM 151 O ILE A 11 -15.066 -7.002 -9.382 1.00 65.32 O ATOM 152 CB ILE A 11 -12.232 -5.486 -9.478 1.00 71.24 C ATOM 153 CG1 ILE A 11 -11.450 -4.237 -9.069 1.00 53.43 C ATOM 154 CG2 ILE A 11 -13.004 -5.237 -10.764 1.00 64.41 C ATOM 155 CD1 ILE A 11 -9.999 -4.265 -9.495 1.00 14.01 C ATOM 0 H ILE A 11 -11.469 -5.993 -7.156 1.00 32.10 H new ATOM 0 HA ILE A 11 -13.878 -5.091 -8.139 1.00 21.23 H new ATOM 0 HB ILE A 11 -11.522 -6.294 -9.655 1.00 71.24 H new ATOM 0 HG12 ILE A 11 -11.930 -3.360 -9.502 1.00 53.43 H new ATOM 0 HG13 ILE A 11 -11.500 -4.126 -7.986 1.00 53.43 H new ATOM 0 HG21 ILE A 11 -12.312 -4.937 -11.551 1.00 64.41 H new ATOM 0 HG22 ILE A 11 -13.519 -6.150 -11.062 1.00 64.41 H new ATOM 0 HG23 ILE A 11 -13.735 -4.444 -10.602 1.00 64.41 H new ATOM 0 HD11 ILE A 11 -9.507 -3.348 -9.171 1.00 14.01 H new ATOM 0 HD12 ILE A 11 -9.503 -5.123 -9.041 1.00 14.01 H new ATOM 0 HD13 ILE A 11 -9.940 -4.345 -10.580 1.00 14.01 H new ATOM 167 N LEU A 12 -13.443 -8.315 -8.541 1.00 75.15 N ATOM 168 CA LEU A 12 -14.101 -9.559 -8.922 1.00 35.45 C ATOM 169 C LEU A 12 -15.462 -9.684 -8.245 1.00 52.41 C ATOM 170 O LEU A 12 -16.355 -10.365 -8.748 1.00 23.30 O ATOM 171 CB LEU A 12 -13.224 -10.757 -8.552 1.00 52.11 C ATOM 172 CG LEU A 12 -11.785 -10.719 -9.068 1.00 0.22 C ATOM 173 CD1 LEU A 12 -11.087 -12.043 -8.801 1.00 0.53 C ATOM 174 CD2 LEU A 12 -11.759 -10.390 -10.555 1.00 60.44 C ATOM 0 H LEU A 12 -12.550 -8.439 -8.064 1.00 75.15 H new ATOM 0 HA LEU A 12 -14.252 -9.546 -10.001 1.00 35.45 H new ATOM 0 HB2 LEU A 12 -13.197 -10.841 -7.466 1.00 52.11 H new ATOM 0 HB3 LEU A 12 -13.701 -11.662 -8.930 1.00 52.11 H new ATOM 0 HG LEU A 12 -11.249 -9.935 -8.534 1.00 0.22 H new ATOM 0 HD11 LEU A 12 -10.064 -11.997 -9.175 1.00 0.53 H new ATOM 0 HD12 LEU A 12 -11.073 -12.237 -7.728 1.00 0.53 H new ATOM 0 HD13 LEU A 12 -11.623 -12.846 -9.308 1.00 0.53 H new ATOM 0 HD21 LEU A 12 -10.727 -10.367 -10.905 1.00 60.44 H new ATOM 0 HD22 LEU A 12 -12.312 -11.151 -11.106 1.00 60.44 H new ATOM 0 HD23 LEU A 12 -12.220 -9.416 -10.720 1.00 60.44 H new ATOM 186 N GLU A 13 -15.614 -9.019 -7.104 1.00 2.20 N ATOM 187 CA GLU A 13 -16.868 -9.055 -6.360 1.00 73.44 C ATOM 188 C GLU A 13 -18.035 -8.617 -7.240 1.00 24.32 C ATOM 189 O GLU A 13 -19.176 -9.029 -7.028 1.00 32.15 O ATOM 190 CB GLU A 13 -16.780 -8.157 -5.125 1.00 53.14 C ATOM 191 CG GLU A 13 -17.109 -6.701 -5.407 1.00 32.32 C ATOM 192 CD GLU A 13 -16.578 -5.766 -4.338 1.00 22.03 C ATOM 193 OE1 GLU A 13 -16.030 -6.264 -3.333 1.00 5.24 O ATOM 194 OE2 GLU A 13 -16.712 -4.536 -4.505 1.00 34.44 O1- ATOM 0 H GLU A 13 -14.885 -8.449 -6.675 1.00 2.20 H new ATOM 0 HA GLU A 13 -17.042 -10.082 -6.041 1.00 73.44 H new ATOM 0 HB2 GLU A 13 -17.462 -8.534 -4.363 1.00 53.14 H new ATOM 0 HB3 GLU A 13 -15.773 -8.220 -4.711 1.00 53.14 H new ATOM 0 HG2 GLU A 13 -16.690 -6.418 -6.373 1.00 32.32 H new ATOM 0 HG3 GLU A 13 -18.190 -6.585 -5.482 1.00 32.32 H new ATOM 201 N LYS A 14 -17.741 -7.778 -8.227 1.00 41.41 N ATOM 202 CA LYS A 14 -18.764 -7.282 -9.140 1.00 53.15 C ATOM 203 C LYS A 14 -19.574 -8.433 -9.727 1.00 32.03 C ATOM 204 O LYS A 14 -20.751 -8.276 -10.048 1.00 33.02 O ATOM 205 CB LYS A 14 -18.122 -6.469 -10.266 1.00 52.04 C ATOM 206 CG LYS A 14 -19.100 -5.573 -11.005 1.00 23.23 C ATOM 207 CD LYS A 14 -19.564 -4.417 -10.134 1.00 74.34 C ATOM 208 CE LYS A 14 -21.015 -4.058 -10.413 1.00 0.54 C ATOM 209 NZ LYS A 14 -21.206 -3.561 -11.804 1.00 44.11 N1+ ATOM 0 H LYS A 14 -16.802 -7.427 -8.415 1.00 41.41 H new ATOM 0 HA LYS A 14 -19.438 -6.638 -8.575 1.00 53.15 H new ATOM 0 HB2 LYS A 14 -17.324 -5.855 -9.849 1.00 52.04 H new ATOM 0 HB3 LYS A 14 -17.660 -7.153 -10.978 1.00 52.04 H new ATOM 0 HG2 LYS A 14 -18.628 -5.184 -11.907 1.00 23.23 H new ATOM 0 HG3 LYS A 14 -19.962 -6.159 -11.324 1.00 23.23 H new ATOM 0 HD2 LYS A 14 -19.449 -4.683 -9.083 1.00 74.34 H new ATOM 0 HD3 LYS A 14 -18.932 -3.548 -10.314 1.00 74.34 H new ATOM 0 HE2 LYS A 14 -21.643 -4.934 -10.251 1.00 0.54 H new ATOM 0 HE3 LYS A 14 -21.343 -3.295 -9.707 1.00 0.54 H new ATOM 0 HZ1 LYS A 14 -22.194 -3.263 -11.934 1.00 44.11 H new ATOM 0 HZ2 LYS A 14 -20.575 -2.751 -11.973 1.00 44.11 H new ATOM 0 HZ3 LYS A 14 -20.982 -4.321 -12.478 1.00 44.11 H new ATOM 223 N GLU A 15 -18.934 -9.591 -9.864 1.00 31.13 N ATOM 224 CA GLU A 15 -19.596 -10.769 -10.413 1.00 10.21 C ATOM 225 C GLU A 15 -20.335 -11.536 -9.319 1.00 74.31 C ATOM 226 O GLU A 15 -20.523 -11.034 -8.211 1.00 23.34 O ATOM 227 CB GLU A 15 -18.576 -11.684 -11.094 1.00 45.25 C ATOM 228 CG GLU A 15 -17.586 -10.942 -11.976 1.00 55.15 C ATOM 229 CD GLU A 15 -18.268 -10.033 -12.979 1.00 24.20 C ATOM 230 OE1 GLU A 15 -18.850 -10.553 -13.954 1.00 50.25 O1- ATOM 231 OE2 GLU A 15 -18.218 -8.799 -12.790 1.00 1.53 O ATOM 0 H GLU A 15 -17.959 -9.738 -9.603 1.00 31.13 H new ATOM 0 HA GLU A 15 -20.323 -10.435 -11.153 1.00 10.21 H new ATOM 0 HB2 GLU A 15 -18.027 -12.235 -10.330 1.00 45.25 H new ATOM 0 HB3 GLU A 15 -19.107 -12.420 -11.698 1.00 45.25 H new ATOM 0 HG2 GLU A 15 -16.919 -10.350 -11.349 1.00 55.15 H new ATOM 0 HG3 GLU A 15 -16.966 -11.664 -12.508 1.00 55.15 H new ATOM 238 N LYS A 16 -20.751 -12.757 -9.640 1.00 54.02 N ATOM 239 CA LYS A 16 -21.468 -13.596 -8.687 1.00 15.32 C ATOM 240 C LYS A 16 -21.078 -15.061 -8.851 1.00 60.10 C ATOM 241 O LYS A 16 -20.885 -15.541 -9.968 1.00 20.10 O ATOM 242 CB LYS A 16 -22.979 -13.435 -8.870 1.00 20.41 C ATOM 243 CG LYS A 16 -23.555 -14.312 -9.970 1.00 32.52 C ATOM 244 CD LYS A 16 -23.011 -13.923 -11.335 1.00 20.11 C ATOM 245 CE LYS A 16 -23.300 -12.465 -11.656 1.00 73.12 C ATOM 246 NZ LYS A 16 -24.748 -12.144 -11.520 1.00 30.23 N1+ ATOM 0 H LYS A 16 -20.604 -13.187 -10.553 1.00 54.02 H new ATOM 0 HA LYS A 16 -21.194 -13.276 -7.682 1.00 15.32 H new ATOM 0 HB2 LYS A 16 -23.478 -13.671 -7.930 1.00 20.41 H new ATOM 0 HB3 LYS A 16 -23.200 -12.392 -9.095 1.00 20.41 H new ATOM 0 HG2 LYS A 16 -23.317 -15.356 -9.766 1.00 32.52 H new ATOM 0 HG3 LYS A 16 -24.642 -14.227 -9.973 1.00 32.52 H new ATOM 0 HD2 LYS A 16 -21.935 -14.096 -11.362 1.00 20.11 H new ATOM 0 HD3 LYS A 16 -23.455 -14.560 -12.100 1.00 20.11 H new ATOM 0 HE2 LYS A 16 -22.722 -11.825 -10.990 1.00 73.12 H new ATOM 0 HE3 LYS A 16 -22.973 -12.245 -12.672 1.00 73.12 H new ATOM 0 HZ1 LYS A 16 -24.931 -11.196 -11.907 1.00 30.23 H new ATOM 0 HZ2 LYS A 16 -25.310 -12.846 -12.043 1.00 30.23 H new ATOM 0 HZ3 LYS A 16 -25.015 -12.166 -10.515 1.00 30.23 H new ATOM 260 N GLY A 17 -20.967 -15.768 -7.730 1.00 53.14 N ATOM 261 CA GLY A 17 -20.601 -17.173 -7.773 1.00 1.24 C ATOM 262 C GLY A 17 -19.110 -17.378 -7.953 1.00 24.31 C ATOM 263 O GLY A 17 -18.645 -18.512 -8.076 1.00 30.33 O ATOM 0 H GLY A 17 -21.124 -15.394 -6.794 1.00 53.14 H new ATOM 0 HA2 GLY A 17 -20.923 -17.658 -6.851 1.00 1.24 H new ATOM 0 HA3 GLY A 17 -21.133 -17.659 -8.591 1.00 1.24 H new ATOM 267 N ILE A 18 -18.361 -16.281 -7.970 1.00 51.44 N ATOM 268 CA ILE A 18 -16.914 -16.348 -8.136 1.00 32.50 C ATOM 269 C ILE A 18 -16.196 -16.120 -6.810 1.00 3.32 C ATOM 270 O ILE A 18 -15.751 -15.010 -6.517 1.00 25.41 O ATOM 271 CB ILE A 18 -16.417 -15.312 -9.161 1.00 45.15 C ATOM 272 CG1 ILE A 18 -17.288 -15.349 -10.419 1.00 2.33 C ATOM 273 CG2 ILE A 18 -14.960 -15.570 -9.512 1.00 34.32 C ATOM 274 CD1 ILE A 18 -16.866 -14.351 -11.475 1.00 3.12 C ATOM 0 H ILE A 18 -18.731 -15.336 -7.871 1.00 51.44 H new ATOM 0 HA ILE A 18 -16.685 -17.349 -8.502 1.00 32.50 H new ATOM 0 HB ILE A 18 -16.493 -14.319 -8.718 1.00 45.15 H new ATOM 0 HG12 ILE A 18 -17.255 -16.352 -10.845 1.00 2.33 H new ATOM 0 HG13 ILE A 18 -18.324 -15.155 -10.140 1.00 2.33 H new ATOM 0 HG21 ILE A 18 -14.624 -14.829 -10.238 1.00 34.32 H new ATOM 0 HG22 ILE A 18 -14.351 -15.498 -8.611 1.00 34.32 H new ATOM 0 HG23 ILE A 18 -14.860 -16.568 -9.939 1.00 34.32 H new ATOM 0 HD11 ILE A 18 -17.527 -14.433 -12.338 1.00 3.12 H new ATOM 0 HD12 ILE A 18 -16.926 -13.342 -11.067 1.00 3.12 H new ATOM 0 HD13 ILE A 18 -15.841 -14.558 -11.782 1.00 3.12 H new ATOM 286 N SER A 19 -16.087 -17.177 -6.014 1.00 72.20 N ATOM 287 CA SER A 19 -15.425 -17.093 -4.717 1.00 5.03 C ATOM 288 C SER A 19 -13.968 -16.669 -4.877 1.00 10.11 C ATOM 289 O SER A 19 -13.151 -17.406 -5.428 1.00 55.41 O ATOM 290 CB SER A 19 -15.500 -18.438 -3.993 1.00 70.31 C ATOM 291 OG SER A 19 -16.751 -18.604 -3.350 1.00 12.11 O ATOM 0 H SER A 19 -16.448 -18.103 -6.244 1.00 72.20 H new ATOM 0 HA SER A 19 -15.941 -16.340 -4.122 1.00 5.03 H new ATOM 0 HB2 SER A 19 -15.345 -19.247 -4.706 1.00 70.31 H new ATOM 0 HB3 SER A 19 -14.698 -18.503 -3.257 1.00 70.31 H new ATOM 0 HG SER A 19 -16.773 -19.472 -2.896 1.00 12.11 H new ATOM 297 N LYS A 20 -13.650 -15.473 -4.392 1.00 21.45 N ATOM 298 CA LYS A 20 -12.293 -14.948 -4.480 1.00 74.43 C ATOM 299 C LYS A 20 -11.352 -15.717 -3.558 1.00 44.01 C ATOM 300 O LYS A 20 -10.133 -15.664 -3.717 1.00 62.25 O ATOM 301 CB LYS A 20 -12.275 -13.461 -4.119 1.00 25.14 C ATOM 302 CG LYS A 20 -12.691 -13.177 -2.686 1.00 31.04 C ATOM 303 CD LYS A 20 -11.940 -11.988 -2.111 1.00 45.33 C ATOM 304 CE LYS A 20 -12.421 -10.679 -2.717 1.00 73.32 C ATOM 305 NZ LYS A 20 -13.598 -10.131 -1.988 1.00 24.23 N1+ ATOM 0 H LYS A 20 -14.314 -14.849 -3.934 1.00 21.45 H new ATOM 0 HA LYS A 20 -11.948 -15.070 -5.507 1.00 74.43 H new ATOM 0 HB2 LYS A 20 -11.271 -13.069 -4.281 1.00 25.14 H new ATOM 0 HB3 LYS A 20 -12.940 -12.924 -4.795 1.00 25.14 H new ATOM 0 HG2 LYS A 20 -13.763 -12.983 -2.649 1.00 31.04 H new ATOM 0 HG3 LYS A 20 -12.505 -14.058 -2.071 1.00 31.04 H new ATOM 0 HD2 LYS A 20 -12.074 -11.960 -1.030 1.00 45.33 H new ATOM 0 HD3 LYS A 20 -10.873 -12.106 -2.297 1.00 45.33 H new ATOM 0 HE2 LYS A 20 -11.610 -9.950 -2.698 1.00 73.32 H new ATOM 0 HE3 LYS A 20 -12.683 -10.837 -3.763 1.00 73.32 H new ATOM 0 HZ1 LYS A 20 -13.896 -9.239 -2.431 1.00 24.23 H new ATOM 0 HZ2 LYS A 20 -14.380 -10.815 -2.027 1.00 24.23 H new ATOM 0 HZ3 LYS A 20 -13.341 -9.956 -0.996 1.00 24.23 H new ATOM 319 N GLU A 21 -11.927 -16.432 -2.595 1.00 64.52 N ATOM 320 CA GLU A 21 -11.137 -17.212 -1.649 1.00 11.33 C ATOM 321 C GLU A 21 -10.215 -18.182 -2.381 1.00 34.03 C ATOM 322 O GLU A 21 -9.072 -18.394 -1.974 1.00 42.53 O ATOM 323 CB GLU A 21 -12.056 -17.983 -0.700 1.00 34.13 C ATOM 324 CG GLU A 21 -13.012 -17.093 0.079 1.00 74.01 C ATOM 325 CD GLU A 21 -13.574 -17.778 1.310 1.00 20.11 C ATOM 326 OE1 GLU A 21 -13.182 -18.932 1.579 1.00 42.41 O1- ATOM 327 OE2 GLU A 21 -14.406 -17.157 2.005 1.00 12.41 O ATOM 0 H GLU A 21 -12.935 -16.487 -2.450 1.00 64.52 H new ATOM 0 HA GLU A 21 -10.524 -16.522 -1.070 1.00 11.33 H new ATOM 0 HB2 GLU A 21 -12.634 -18.707 -1.275 1.00 34.13 H new ATOM 0 HB3 GLU A 21 -11.445 -18.549 0.003 1.00 34.13 H new ATOM 0 HG2 GLU A 21 -12.492 -16.183 0.379 1.00 74.01 H new ATOM 0 HG3 GLU A 21 -13.833 -16.791 -0.571 1.00 74.01 H new ATOM 334 N ILE A 22 -10.719 -18.769 -3.461 1.00 11.12 N ATOM 335 CA ILE A 22 -9.941 -19.716 -4.250 1.00 52.11 C ATOM 336 C ILE A 22 -8.947 -18.993 -5.154 1.00 5.14 C ATOM 337 O ILE A 22 -7.915 -19.549 -5.529 1.00 62.02 O ATOM 338 CB ILE A 22 -10.849 -20.609 -5.115 1.00 23.14 C ATOM 339 CG1 ILE A 22 -11.846 -21.365 -4.234 1.00 11.11 C ATOM 340 CG2 ILE A 22 -10.012 -21.583 -5.931 1.00 74.20 C ATOM 341 CD1 ILE A 22 -13.158 -20.636 -4.044 1.00 40.42 C ATOM 0 H ILE A 22 -11.663 -18.605 -3.810 1.00 11.12 H new ATOM 0 HA ILE A 22 -9.397 -20.343 -3.543 1.00 52.11 H new ATOM 0 HB ILE A 22 -11.408 -19.975 -5.803 1.00 23.14 H new ATOM 0 HG12 ILE A 22 -12.043 -22.341 -4.677 1.00 11.11 H new ATOM 0 HG13 ILE A 22 -11.394 -21.543 -3.258 1.00 11.11 H new ATOM 0 HG21 ILE A 22 -10.668 -22.207 -6.537 1.00 74.20 H new ATOM 0 HG22 ILE A 22 -9.337 -21.027 -6.582 1.00 74.20 H new ATOM 0 HG23 ILE A 22 -9.430 -22.214 -5.259 1.00 74.20 H new ATOM 0 HD11 ILE A 22 -13.816 -21.230 -3.409 1.00 40.42 H new ATOM 0 HD12 ILE A 22 -12.973 -19.671 -3.572 1.00 40.42 H new ATOM 0 HD13 ILE A 22 -13.632 -20.481 -5.013 1.00 40.42 H new ATOM 353 N ILE A 23 -9.266 -17.749 -5.499 1.00 13.43 N ATOM 354 CA ILE A 23 -8.401 -16.950 -6.356 1.00 72.34 C ATOM 355 C ILE A 23 -7.050 -16.699 -5.693 1.00 55.40 C ATOM 356 O ILE A 23 -6.007 -16.764 -6.345 1.00 31.34 O ATOM 357 CB ILE A 23 -9.047 -15.596 -6.703 1.00 24.53 C ATOM 358 CG1 ILE A 23 -10.383 -15.813 -7.420 1.00 1.43 C ATOM 359 CG2 ILE A 23 -8.108 -14.765 -7.563 1.00 41.41 C ATOM 360 CD1 ILE A 23 -10.261 -16.626 -8.690 1.00 34.01 C ATOM 0 H ILE A 23 -10.117 -17.274 -5.198 1.00 13.43 H new ATOM 0 HA ILE A 23 -8.254 -17.520 -7.274 1.00 72.34 H new ATOM 0 HB ILE A 23 -9.236 -15.053 -5.777 1.00 24.53 H new ATOM 0 HG12 ILE A 23 -11.073 -16.315 -6.742 1.00 1.43 H new ATOM 0 HG13 ILE A 23 -10.820 -14.843 -7.659 1.00 1.43 H new ATOM 0 HG21 ILE A 23 -8.580 -13.811 -7.799 1.00 41.41 H new ATOM 0 HG22 ILE A 23 -7.180 -14.586 -7.020 1.00 41.41 H new ATOM 0 HG23 ILE A 23 -7.890 -15.301 -8.487 1.00 41.41 H new ATOM 0 HD11 ILE A 23 -11.245 -16.740 -9.145 1.00 34.01 H new ATOM 0 HD12 ILE A 23 -9.596 -16.115 -9.387 1.00 34.01 H new ATOM 0 HD13 ILE A 23 -9.854 -17.609 -8.455 1.00 34.01 H new ATOM 372 N ILE A 24 -7.077 -16.415 -4.396 1.00 51.31 N ATOM 373 CA ILE A 24 -5.854 -16.159 -3.644 1.00 74.21 C ATOM 374 C ILE A 24 -4.851 -17.293 -3.824 1.00 44.54 C ATOM 375 O ILE A 24 -3.641 -17.068 -3.841 1.00 32.23 O ATOM 376 CB ILE A 24 -6.144 -15.976 -2.144 1.00 32.43 C ATOM 377 CG1 ILE A 24 -7.023 -14.745 -1.918 1.00 11.23 C ATOM 378 CG2 ILE A 24 -4.843 -15.855 -1.364 1.00 1.24 C ATOM 379 CD1 ILE A 24 -8.421 -15.080 -1.445 1.00 31.23 C ATOM 0 H ILE A 24 -7.932 -16.356 -3.843 1.00 51.31 H new ATOM 0 HA ILE A 24 -5.428 -15.236 -4.037 1.00 74.21 H new ATOM 0 HB ILE A 24 -6.681 -16.853 -1.784 1.00 32.43 H new ATOM 0 HG12 ILE A 24 -6.545 -14.097 -1.183 1.00 11.23 H new ATOM 0 HG13 ILE A 24 -7.088 -14.179 -2.847 1.00 11.23 H new ATOM 0 HG21 ILE A 24 -5.065 -15.726 -0.305 1.00 1.24 H new ATOM 0 HG22 ILE A 24 -4.250 -16.759 -1.503 1.00 1.24 H new ATOM 0 HG23 ILE A 24 -4.281 -14.993 -1.725 1.00 1.24 H new ATOM 0 HD11 ILE A 24 -8.988 -14.160 -1.305 1.00 31.23 H new ATOM 0 HD12 ILE A 24 -8.917 -15.703 -2.189 1.00 31.23 H new ATOM 0 HD13 ILE A 24 -8.366 -15.619 -0.499 1.00 31.23 H new ATOM 391 N GLU A 25 -5.362 -18.513 -3.958 1.00 72.53 N ATOM 392 CA GLU A 25 -4.510 -19.682 -4.136 1.00 43.13 C ATOM 393 C GLU A 25 -3.821 -19.650 -5.498 1.00 2.50 C ATOM 394 O GLU A 25 -2.711 -20.159 -5.655 1.00 34.42 O ATOM 395 CB GLU A 25 -5.332 -20.966 -4.000 1.00 73.04 C ATOM 396 CG GLU A 25 -6.144 -21.034 -2.718 1.00 44.41 C ATOM 397 CD GLU A 25 -6.568 -22.449 -2.371 1.00 73.01 C ATOM 398 OE1 GLU A 25 -7.637 -22.883 -2.853 1.00 32.20 O ATOM 399 OE2 GLU A 25 -5.832 -23.120 -1.618 1.00 21.12 O1- ATOM 0 H GLU A 25 -6.361 -18.717 -3.947 1.00 72.53 H new ATOM 0 HA GLU A 25 -3.746 -19.664 -3.359 1.00 43.13 H new ATOM 0 HB2 GLU A 25 -6.006 -21.048 -4.852 1.00 73.04 H new ATOM 0 HB3 GLU A 25 -4.661 -21.824 -4.041 1.00 73.04 H new ATOM 0 HG2 GLU A 25 -5.556 -20.623 -1.897 1.00 44.41 H new ATOM 0 HG3 GLU A 25 -7.030 -20.408 -2.820 1.00 44.41 H new ATOM 406 N ALA A 26 -4.486 -19.049 -6.478 1.00 1.41 N ATOM 407 CA ALA A 26 -3.938 -18.948 -7.825 1.00 44.13 C ATOM 408 C ALA A 26 -2.669 -18.101 -7.839 1.00 13.13 C ATOM 409 O ALA A 26 -1.683 -18.455 -8.484 1.00 24.00 O ATOM 410 CB ALA A 26 -4.975 -18.366 -8.775 1.00 14.40 C ATOM 0 H ALA A 26 -5.406 -18.624 -6.365 1.00 1.41 H new ATOM 0 HA ALA A 26 -3.677 -19.952 -8.161 1.00 44.13 H new ATOM 0 HB1 ALA A 26 -4.552 -18.296 -9.777 1.00 14.40 H new ATOM 0 HB2 ALA A 26 -5.853 -19.012 -8.796 1.00 14.40 H new ATOM 0 HB3 ALA A 26 -5.264 -17.372 -8.433 1.00 14.40 H new ATOM 416 N ILE A 27 -2.704 -16.980 -7.126 1.00 44.10 N ATOM 417 CA ILE A 27 -1.557 -16.083 -7.057 1.00 13.45 C ATOM 418 C ILE A 27 -0.344 -16.788 -6.460 1.00 13.44 C ATOM 419 O ILE A 27 0.739 -16.781 -7.044 1.00 54.42 O ATOM 420 CB ILE A 27 -1.873 -14.830 -6.219 1.00 20.00 C ATOM 421 CG1 ILE A 27 -3.010 -14.034 -6.862 1.00 25.54 C ATOM 422 CG2 ILE A 27 -0.630 -13.964 -6.074 1.00 13.51 C ATOM 423 CD1 ILE A 27 -4.374 -14.363 -6.295 1.00 74.33 C ATOM 0 H ILE A 27 -3.514 -16.672 -6.588 1.00 44.10 H new ATOM 0 HA ILE A 27 -1.331 -15.779 -8.079 1.00 13.45 H new ATOM 0 HB ILE A 27 -2.192 -15.145 -5.225 1.00 20.00 H new ATOM 0 HG12 ILE A 27 -2.818 -12.969 -6.730 1.00 25.54 H new ATOM 0 HG13 ILE A 27 -3.016 -14.226 -7.935 1.00 25.54 H new ATOM 0 HG21 ILE A 27 -0.868 -13.082 -5.479 1.00 13.51 H new ATOM 0 HG22 ILE A 27 0.155 -14.535 -5.578 1.00 13.51 H new ATOM 0 HG23 ILE A 27 -0.285 -13.654 -7.061 1.00 13.51 H new ATOM 0 HD11 ILE A 27 -5.132 -13.762 -6.797 1.00 74.33 H new ATOM 0 HD12 ILE A 27 -4.588 -15.420 -6.451 1.00 74.33 H new ATOM 0 HD13 ILE A 27 -4.387 -14.144 -5.227 1.00 74.33 H new ATOM 435 N GLU A 28 -0.533 -17.396 -5.293 1.00 54.21 N ATOM 436 CA GLU A 28 0.547 -18.107 -4.618 1.00 54.51 C ATOM 437 C GLU A 28 1.169 -19.152 -5.539 1.00 43.41 C ATOM 438 O GLU A 28 2.391 -19.248 -5.649 1.00 43.02 O ATOM 439 CB GLU A 28 0.028 -18.776 -3.345 1.00 64.12 C ATOM 440 CG GLU A 28 -0.640 -17.813 -2.378 1.00 40.22 C ATOM 441 CD GLU A 28 -1.347 -18.524 -1.241 1.00 51.43 C ATOM 442 OE1 GLU A 28 -1.091 -19.730 -1.044 1.00 75.44 O1- ATOM 443 OE2 GLU A 28 -2.159 -17.874 -0.548 1.00 63.03 O ATOM 0 H GLU A 28 -1.423 -17.411 -4.795 1.00 54.21 H new ATOM 0 HA GLU A 28 1.315 -17.381 -4.351 1.00 54.51 H new ATOM 0 HB2 GLU A 28 -0.684 -19.555 -3.619 1.00 64.12 H new ATOM 0 HB3 GLU A 28 0.859 -19.268 -2.839 1.00 64.12 H new ATOM 0 HG2 GLU A 28 0.110 -17.137 -1.968 1.00 40.22 H new ATOM 0 HG3 GLU A 28 -1.359 -17.200 -2.921 1.00 40.22 H new ATOM 450 N ALA A 29 0.319 -19.934 -6.197 1.00 30.04 N ATOM 451 CA ALA A 29 0.785 -20.971 -7.109 1.00 12.54 C ATOM 452 C ALA A 29 1.588 -20.372 -8.258 1.00 13.03 C ATOM 453 O ALA A 29 2.499 -21.007 -8.788 1.00 61.31 O ATOM 454 CB ALA A 29 -0.395 -21.769 -7.647 1.00 31.13 C ATOM 0 H ALA A 29 -0.696 -19.869 -6.115 1.00 30.04 H new ATOM 0 HA ALA A 29 1.441 -21.641 -6.553 1.00 12.54 H new ATOM 0 HB1 ALA A 29 -0.033 -22.540 -8.327 1.00 31.13 H new ATOM 0 HB2 ALA A 29 -0.926 -22.236 -6.818 1.00 31.13 H new ATOM 0 HB3 ALA A 29 -1.072 -21.102 -8.182 1.00 31.13 H new ATOM 460 N ALA A 30 1.244 -19.146 -8.639 1.00 53.23 N ATOM 461 CA ALA A 30 1.935 -18.461 -9.725 1.00 23.45 C ATOM 462 C ALA A 30 3.308 -17.972 -9.278 1.00 61.02 C ATOM 463 O ALA A 30 4.272 -18.010 -10.046 1.00 51.44 O ATOM 464 CB ALA A 30 1.096 -17.297 -10.231 1.00 32.41 C ATOM 0 H ALA A 30 0.491 -18.607 -8.212 1.00 53.23 H new ATOM 0 HA ALA A 30 2.079 -19.172 -10.539 1.00 23.45 H new ATOM 0 HB1 ALA A 30 1.623 -16.794 -11.042 1.00 32.41 H new ATOM 0 HB2 ALA A 30 0.139 -17.670 -10.597 1.00 32.41 H new ATOM 0 HB3 ALA A 30 0.924 -16.592 -9.418 1.00 32.41 H new ATOM 470 N LEU A 31 3.393 -17.512 -8.035 1.00 5.35 N ATOM 471 CA LEU A 31 4.650 -17.014 -7.488 1.00 1.23 C ATOM 472 C LEU A 31 5.640 -18.155 -7.272 1.00 21.11 C ATOM 473 O LEU A 31 6.787 -18.085 -7.710 1.00 34.51 O ATOM 474 CB LEU A 31 4.400 -16.283 -6.167 1.00 45.33 C ATOM 475 CG LEU A 31 3.998 -14.813 -6.280 1.00 33.31 C ATOM 476 CD1 LEU A 31 2.493 -14.658 -6.127 1.00 53.12 C ATOM 477 CD2 LEU A 31 4.729 -13.979 -5.239 1.00 43.31 C ATOM 0 H LEU A 31 2.606 -17.473 -7.387 1.00 5.35 H new ATOM 0 HA LEU A 31 5.080 -16.316 -8.207 1.00 1.23 H new ATOM 0 HB2 LEU A 31 3.617 -16.812 -5.624 1.00 45.33 H new ATOM 0 HB3 LEU A 31 5.305 -16.346 -5.563 1.00 45.33 H new ATOM 0 HG LEU A 31 4.281 -14.454 -7.269 1.00 33.31 H new ATOM 0 HD11 LEU A 31 2.225 -13.605 -6.210 1.00 53.12 H new ATOM 0 HD12 LEU A 31 1.988 -15.224 -6.910 1.00 53.12 H new ATOM 0 HD13 LEU A 31 2.186 -15.034 -5.151 1.00 53.12 H new ATOM 0 HD21 LEU A 31 4.431 -12.935 -5.334 1.00 43.31 H new ATOM 0 HD22 LEU A 31 4.477 -14.339 -4.242 1.00 43.31 H new ATOM 0 HD23 LEU A 31 5.805 -14.064 -5.394 1.00 43.31 H new ATOM 489 N ILE A 32 5.185 -19.205 -6.594 1.00 24.45 N ATOM 490 CA ILE A 32 6.030 -20.362 -6.323 1.00 71.03 C ATOM 491 C ILE A 32 6.645 -20.905 -7.609 1.00 24.23 C ATOM 492 O ILE A 32 7.820 -21.273 -7.638 1.00 63.05 O ATOM 493 CB ILE A 32 5.238 -21.486 -5.631 1.00 60.21 C ATOM 494 CG1 ILE A 32 6.127 -22.714 -5.426 1.00 22.33 C ATOM 495 CG2 ILE A 32 4.007 -21.847 -6.447 1.00 41.15 C ATOM 496 CD1 ILE A 32 5.761 -23.529 -4.205 1.00 4.22 C ATOM 0 H ILE A 32 4.238 -19.278 -6.223 1.00 24.45 H new ATOM 0 HA ILE A 32 6.824 -20.025 -5.657 1.00 71.03 H new ATOM 0 HB ILE A 32 4.910 -21.131 -4.654 1.00 60.21 H new ATOM 0 HG12 ILE A 32 6.064 -23.350 -6.309 1.00 22.33 H new ATOM 0 HG13 ILE A 32 7.164 -22.391 -5.339 1.00 22.33 H new ATOM 0 HG21 ILE A 32 3.458 -22.643 -5.944 1.00 41.15 H new ATOM 0 HG22 ILE A 32 3.366 -20.971 -6.546 1.00 41.15 H new ATOM 0 HG23 ILE A 32 4.313 -22.186 -7.437 1.00 41.15 H new ATOM 0 HD11 ILE A 32 6.433 -24.383 -4.123 1.00 4.22 H new ATOM 0 HD12 ILE A 32 5.852 -22.909 -3.313 1.00 4.22 H new ATOM 0 HD13 ILE A 32 4.734 -23.883 -4.298 1.00 4.22 H new ATOM 508 N SER A 33 5.845 -20.952 -8.669 1.00 23.51 N ATOM 509 CA SER A 33 6.310 -21.453 -9.956 1.00 62.33 C ATOM 510 C SER A 33 7.442 -20.586 -10.499 1.00 1.44 C ATOM 511 O SER A 33 8.469 -21.096 -10.947 1.00 2.10 O ATOM 512 CB SER A 33 5.157 -21.492 -10.960 1.00 3.21 C ATOM 513 OG SER A 33 5.636 -21.431 -12.291 1.00 24.42 O ATOM 0 H SER A 33 4.871 -20.649 -8.662 1.00 23.51 H new ATOM 0 HA SER A 33 6.688 -22.465 -9.809 1.00 62.33 H new ATOM 0 HB2 SER A 33 4.580 -22.406 -10.820 1.00 3.21 H new ATOM 0 HB3 SER A 33 4.482 -20.657 -10.775 1.00 3.21 H new ATOM 0 HG SER A 33 4.879 -21.459 -12.913 1.00 24.42 H new ATOM 519 N ALA A 34 7.247 -19.272 -10.456 1.00 22.53 N ATOM 520 CA ALA A 34 8.250 -18.334 -10.941 1.00 1.34 C ATOM 521 C ALA A 34 9.585 -18.542 -10.234 1.00 52.14 C ATOM 522 O ALA A 34 10.624 -18.689 -10.878 1.00 62.24 O ATOM 523 CB ALA A 34 7.769 -16.902 -10.753 1.00 23.24 C ATOM 0 H ALA A 34 6.402 -18.833 -10.090 1.00 22.53 H new ATOM 0 HA ALA A 34 8.399 -18.519 -12.005 1.00 1.34 H new ATOM 0 HB1 ALA A 34 8.529 -16.212 -11.120 1.00 23.24 H new ATOM 0 HB2 ALA A 34 6.844 -16.753 -11.310 1.00 23.24 H new ATOM 0 HB3 ALA A 34 7.589 -16.715 -9.694 1.00 23.24 H new ATOM 529 N TYR A 35 9.549 -18.554 -8.906 1.00 60.44 N ATOM 530 CA TYR A 35 10.757 -18.743 -8.111 1.00 42.44 C ATOM 531 C TYR A 35 11.308 -20.155 -8.283 1.00 40.45 C ATOM 532 O TYR A 35 12.515 -20.380 -8.186 1.00 13.24 O ATOM 533 CB TYR A 35 10.468 -18.472 -6.633 1.00 14.41 C ATOM 534 CG TYR A 35 11.645 -18.747 -5.726 1.00 55.14 C ATOM 535 CD1 TYR A 35 11.882 -20.024 -5.231 1.00 72.52 C ATOM 536 CD2 TYR A 35 12.522 -17.732 -5.364 1.00 31.21 C ATOM 537 CE1 TYR A 35 12.956 -20.279 -4.400 1.00 4.45 C ATOM 538 CE2 TYR A 35 13.599 -17.978 -4.535 1.00 13.02 C ATOM 539 CZ TYR A 35 13.812 -19.254 -4.055 1.00 1.20 C ATOM 540 OH TYR A 35 14.884 -19.505 -3.230 1.00 72.42 O ATOM 0 H TYR A 35 8.697 -18.435 -8.358 1.00 60.44 H new ATOM 0 HA TYR A 35 11.507 -18.035 -8.463 1.00 42.44 H new ATOM 0 HB2 TYR A 35 10.165 -17.432 -6.516 1.00 14.41 H new ATOM 0 HB3 TYR A 35 9.625 -19.087 -6.317 1.00 14.41 H new ATOM 0 HD1 TYR A 35 11.216 -20.830 -5.500 1.00 72.52 H new ATOM 0 HD2 TYR A 35 12.359 -16.732 -5.738 1.00 31.21 H new ATOM 0 HE1 TYR A 35 13.125 -21.277 -4.022 1.00 4.45 H new ATOM 0 HE2 TYR A 35 14.270 -17.177 -4.264 1.00 13.02 H new ATOM 0 HH TYR A 35 15.387 -18.676 -3.086 1.00 72.42 H new ATOM 550 N LYS A 36 10.414 -21.104 -8.540 1.00 5.13 N ATOM 551 CA LYS A 36 10.808 -22.495 -8.727 1.00 11.15 C ATOM 552 C LYS A 36 11.776 -22.634 -9.898 1.00 32.14 C ATOM 553 O LYS A 36 12.678 -23.471 -9.874 1.00 62.43 O ATOM 554 CB LYS A 36 9.574 -23.369 -8.965 1.00 64.34 C ATOM 555 CG LYS A 36 9.890 -24.849 -9.087 1.00 20.30 C ATOM 556 CD LYS A 36 8.783 -25.706 -8.495 1.00 1.42 C ATOM 557 CE LYS A 36 8.825 -25.699 -6.975 1.00 45.53 C ATOM 558 NZ LYS A 36 8.403 -27.008 -6.403 1.00 21.13 N1+ ATOM 0 H LYS A 36 9.412 -20.935 -8.623 1.00 5.13 H new ATOM 0 HA LYS A 36 11.312 -22.828 -7.820 1.00 11.15 H new ATOM 0 HB2 LYS A 36 8.872 -23.223 -8.144 1.00 64.34 H new ATOM 0 HB3 LYS A 36 9.074 -23.037 -9.875 1.00 64.34 H new ATOM 0 HG2 LYS A 36 10.029 -25.107 -10.137 1.00 20.30 H new ATOM 0 HG3 LYS A 36 10.830 -25.065 -8.579 1.00 20.30 H new ATOM 0 HD2 LYS A 36 7.815 -25.338 -8.835 1.00 1.42 H new ATOM 0 HD3 LYS A 36 8.880 -26.729 -8.858 1.00 1.42 H new ATOM 0 HE2 LYS A 36 9.836 -25.465 -6.641 1.00 45.53 H new ATOM 0 HE3 LYS A 36 8.174 -24.911 -6.597 1.00 45.53 H new ATOM 0 HZ1 LYS A 36 8.445 -26.963 -5.365 1.00 21.13 H new ATOM 0 HZ2 LYS A 36 7.429 -27.219 -6.701 1.00 21.13 H new ATOM 0 HZ3 LYS A 36 9.040 -27.757 -6.743 1.00 21.13 H new ATOM 572 N ARG A 37 11.583 -21.807 -10.921 1.00 74.25 N ATOM 573 CA ARG A 37 12.438 -21.839 -12.101 1.00 53.51 C ATOM 574 C ARG A 37 13.895 -21.583 -11.722 1.00 13.30 C ATOM 575 O ARG A 37 14.809 -21.917 -12.473 1.00 74.35 O ATOM 576 CB ARG A 37 11.975 -20.796 -13.120 1.00 25.33 C ATOM 577 CG ARG A 37 10.622 -21.109 -13.739 1.00 1.44 C ATOM 578 CD ARG A 37 10.729 -22.207 -14.786 1.00 4.13 C ATOM 579 NE ARG A 37 9.487 -22.368 -15.537 1.00 22.22 N ATOM 580 CZ ARG A 37 9.266 -23.365 -16.387 1.00 71.43 C ATOM 581 NH1 ARG A 37 10.199 -24.284 -16.591 1.00 64.15 N1+ ATOM 582 NH2 ARG A 37 8.110 -23.444 -17.034 1.00 43.33 N ATOM 0 H ARG A 37 10.842 -21.107 -10.956 1.00 74.25 H new ATOM 0 HA ARG A 37 12.364 -22.831 -12.547 1.00 53.51 H new ATOM 0 HB2 ARG A 37 11.926 -19.822 -12.634 1.00 25.33 H new ATOM 0 HB3 ARG A 37 12.719 -20.719 -13.913 1.00 25.33 H new ATOM 0 HG2 ARG A 37 9.926 -21.416 -12.958 1.00 1.44 H new ATOM 0 HG3 ARG A 37 10.212 -20.208 -14.196 1.00 1.44 H new ATOM 0 HD2 ARG A 37 11.541 -21.974 -15.474 1.00 4.13 H new ATOM 0 HD3 ARG A 37 10.983 -23.149 -14.300 1.00 4.13 H new ATOM 0 HE ARG A 37 8.749 -21.677 -15.402 1.00 22.22 H new ATOM 0 HH11 ARG A 37 11.088 -24.227 -16.095 1.00 64.15 H new ATOM 0 HH12 ARG A 37 10.028 -25.049 -17.244 1.00 64.15 H new ATOM 0 HH21 ARG A 37 7.390 -22.739 -16.879 1.00 43.33 H new ATOM 0 HH22 ARG A 37 7.942 -24.210 -17.686 1.00 43.33 H new ATOM 596 N ASN A 38 14.101 -20.987 -10.552 1.00 64.14 N ATOM 597 CA ASN A 38 15.446 -20.685 -10.074 1.00 2.44 C ATOM 598 C ASN A 38 16.092 -21.920 -9.455 1.00 62.25 C ATOM 599 O ASN A 38 17.222 -22.278 -9.793 1.00 62.41 O ATOM 600 CB ASN A 38 15.403 -19.550 -9.050 1.00 14.03 C ATOM 601 CG ASN A 38 14.882 -18.255 -9.642 1.00 30.51 C ATOM 602 OD1 ASN A 38 13.567 -18.163 -9.802 1.00 23.41 O flip ATOM 603 ND2 ASN A 38 15.654 -17.348 -9.953 1.00 43.51 N flip ATOM 0 H ASN A 38 13.354 -20.704 -9.918 1.00 64.14 H new ATOM 0 HA ASN A 38 16.047 -20.372 -10.928 1.00 2.44 H new ATOM 0 HB2 ASN A 38 14.770 -19.844 -8.213 1.00 14.03 H new ATOM 0 HB3 ASN A 38 16.404 -19.387 -8.651 1.00 14.03 H new ATOM 0 HD21 ASN A 38 16.658 -17.462 -9.812 1.00 43.51 H new ATOM 0 HD22 ASN A 38 15.290 -16.482 -10.351 1.00 43.51 H new ATOM 610 N PHE A 39 15.369 -22.569 -8.549 1.00 74.50 N ATOM 611 CA PHE A 39 15.872 -23.764 -7.881 1.00 13.22 C ATOM 612 C PHE A 39 14.787 -24.833 -7.788 1.00 13.23 C ATOM 613 O PHE A 39 14.322 -25.168 -6.700 1.00 12.23 O ATOM 614 CB PHE A 39 16.383 -23.416 -6.482 1.00 22.33 C ATOM 615 CG PHE A 39 17.531 -22.448 -6.485 1.00 63.55 C ATOM 616 CD1 PHE A 39 18.835 -22.900 -6.620 1.00 54.30 C ATOM 617 CD2 PHE A 39 17.307 -21.087 -6.355 1.00 1.45 C ATOM 618 CE1 PHE A 39 19.893 -22.011 -6.625 1.00 20.44 C ATOM 619 CE2 PHE A 39 18.363 -20.195 -6.359 1.00 73.20 C ATOM 620 CZ PHE A 39 19.658 -20.657 -6.493 1.00 41.30 C ATOM 0 H PHE A 39 14.432 -22.288 -8.260 1.00 74.50 H new ATOM 0 HA PHE A 39 16.697 -24.160 -8.473 1.00 13.22 H new ATOM 0 HB2 PHE A 39 15.564 -22.994 -5.900 1.00 22.33 H new ATOM 0 HB3 PHE A 39 16.692 -24.332 -5.979 1.00 22.33 H new ATOM 0 HD1 PHE A 39 19.026 -23.958 -6.722 1.00 54.30 H new ATOM 0 HD2 PHE A 39 16.297 -20.719 -6.249 1.00 1.45 H new ATOM 0 HE1 PHE A 39 20.904 -22.376 -6.732 1.00 20.44 H new ATOM 0 HE2 PHE A 39 18.176 -19.136 -6.257 1.00 73.20 H new ATOM 0 HZ PHE A 39 20.484 -19.961 -6.494 1.00 41.30 H new ATOM 630 N ASN A 40 14.387 -25.363 -8.939 1.00 5.11 N ATOM 631 CA ASN A 40 13.356 -26.393 -8.988 1.00 31.44 C ATOM 632 C ASN A 40 13.920 -27.749 -8.573 1.00 13.21 C ATOM 633 O ASN A 40 13.394 -28.400 -7.670 1.00 10.21 O ATOM 634 CB ASN A 40 12.763 -26.485 -10.396 1.00 21.11 C ATOM 635 CG ASN A 40 13.831 -26.503 -11.472 1.00 35.33 C ATOM 636 OD1 ASN A 40 14.286 -27.566 -11.894 1.00 34.12 O ATOM 637 ND2 ASN A 40 14.238 -25.322 -11.923 1.00 33.42 N ATOM 0 H ASN A 40 14.761 -25.096 -9.850 1.00 5.11 H new ATOM 0 HA ASN A 40 12.569 -26.116 -8.286 1.00 31.44 H new ATOM 0 HB2 ASN A 40 12.157 -27.388 -10.474 1.00 21.11 H new ATOM 0 HB3 ASN A 40 12.097 -25.639 -10.563 1.00 21.11 H new ATOM 0 HD21 ASN A 40 14.955 -25.272 -12.647 1.00 33.42 H new ATOM 0 HD22 ASN A 40 13.834 -24.465 -11.545 1.00 33.42 H new ATOM 644 N GLN A 41 14.992 -28.166 -9.238 1.00 42.41 N ATOM 645 CA GLN A 41 15.627 -29.444 -8.937 1.00 32.21 C ATOM 646 C GLN A 41 16.695 -29.281 -7.862 1.00 10.23 C ATOM 647 O GLN A 41 17.472 -30.199 -7.601 1.00 2.54 O ATOM 648 CB GLN A 41 16.246 -30.040 -10.202 1.00 24.30 C ATOM 649 CG GLN A 41 17.409 -29.229 -10.751 1.00 23.03 C ATOM 650 CD GLN A 41 18.003 -29.835 -12.006 1.00 60.23 C ATOM 651 OE1 GLN A 41 17.698 -30.973 -12.364 1.00 25.31 O ATOM 652 NE2 GLN A 41 18.859 -29.079 -12.681 1.00 53.52 N ATOM 0 H GLN A 41 15.439 -27.639 -9.988 1.00 42.41 H new ATOM 0 HA GLN A 41 14.861 -30.122 -8.562 1.00 32.21 H new ATOM 0 HB2 GLN A 41 16.589 -31.052 -9.986 1.00 24.30 H new ATOM 0 HB3 GLN A 41 15.476 -30.121 -10.969 1.00 24.30 H new ATOM 0 HG2 GLN A 41 17.070 -28.216 -10.967 1.00 23.03 H new ATOM 0 HG3 GLN A 41 18.184 -29.150 -9.988 1.00 23.03 H new ATOM 0 HE21 GLN A 41 19.083 -28.141 -12.348 1.00 53.52 H new ATOM 0 HE22 GLN A 41 19.293 -29.435 -13.533 1.00 53.52 H new ATOM 661 N ALA A 42 16.729 -28.107 -7.241 1.00 53.10 N ATOM 662 CA ALA A 42 17.701 -27.824 -6.192 1.00 45.11 C ATOM 663 C ALA A 42 17.099 -28.047 -4.809 1.00 30.22 C ATOM 664 O ALA A 42 17.773 -28.525 -3.898 1.00 53.42 O ATOM 665 CB ALA A 42 18.217 -26.398 -6.321 1.00 52.01 C ATOM 0 H ALA A 42 16.094 -27.336 -7.446 1.00 53.10 H new ATOM 0 HA ALA A 42 18.537 -28.514 -6.311 1.00 45.11 H new ATOM 0 HB1 ALA A 42 18.942 -26.201 -5.531 1.00 52.01 H new ATOM 0 HB2 ALA A 42 18.695 -26.270 -7.292 1.00 52.01 H new ATOM 0 HB3 ALA A 42 17.384 -25.700 -6.232 1.00 52.01 H new ATOM 671 N GLN A 43 15.825 -27.698 -4.662 1.00 44.33 N ATOM 672 CA GLN A 43 15.132 -27.861 -3.388 1.00 63.21 C ATOM 673 C GLN A 43 13.655 -27.505 -3.523 1.00 62.24 C ATOM 674 O GLN A 43 13.253 -26.831 -4.470 1.00 74.55 O ATOM 675 CB GLN A 43 15.783 -26.986 -2.315 1.00 72.12 C ATOM 676 CG GLN A 43 15.515 -27.464 -0.897 1.00 43.55 C ATOM 677 CD GLN A 43 16.178 -26.589 0.148 1.00 74.41 C ATOM 678 OE1 GLN A 43 15.372 -25.850 0.901 1.00 53.02 O flip ATOM 679 NE2 GLN A 43 17.403 -26.578 0.280 1.00 50.05 N flip ATOM 0 H GLN A 43 15.252 -27.301 -5.407 1.00 44.33 H new ATOM 0 HA GLN A 43 15.210 -28.907 -3.091 1.00 63.21 H new ATOM 0 HB2 GLN A 43 16.860 -26.959 -2.483 1.00 72.12 H new ATOM 0 HB3 GLN A 43 15.418 -25.964 -2.420 1.00 72.12 H new ATOM 0 HG2 GLN A 43 14.439 -27.482 -0.721 1.00 43.55 H new ATOM 0 HG3 GLN A 43 15.873 -28.488 -0.789 1.00 43.55 H new ATOM 0 HE21 GLN A 43 17.986 -27.162 -0.320 1.00 50.05 H new ATOM 0 HE22 GLN A 43 17.834 -25.985 0.989 1.00 50.05 H new ATOM 688 N ASN A 44 12.852 -27.964 -2.569 1.00 61.24 N ATOM 689 CA ASN A 44 11.418 -27.696 -2.582 1.00 5.03 C ATOM 690 C ASN A 44 11.111 -26.346 -1.941 1.00 45.14 C ATOM 691 O ASN A 44 11.954 -25.766 -1.256 1.00 15.42 O ATOM 692 CB ASN A 44 10.663 -28.805 -1.846 1.00 2.54 C ATOM 693 CG ASN A 44 9.161 -28.697 -2.021 1.00 33.50 C ATOM 694 OD1 ASN A 44 8.643 -28.828 -3.131 1.00 53.44 O ATOM 695 ND2 ASN A 44 8.454 -28.456 -0.924 1.00 2.43 N ATOM 0 H ASN A 44 13.169 -28.523 -1.777 1.00 61.24 H new ATOM 0 HA ASN A 44 11.089 -27.669 -3.621 1.00 5.03 H new ATOM 0 HB2 ASN A 44 11.000 -29.775 -2.212 1.00 2.54 H new ATOM 0 HB3 ASN A 44 10.906 -28.763 -0.784 1.00 2.54 H new ATOM 0 HD21 ASN A 44 7.439 -28.372 -0.980 1.00 2.43 H new ATOM 0 HD22 ASN A 44 8.926 -28.355 -0.025 1.00 2.43 H new ATOM 702 N VAL A 45 9.900 -25.850 -2.168 1.00 44.30 N ATOM 703 CA VAL A 45 9.480 -24.570 -1.612 1.00 71.11 C ATOM 704 C VAL A 45 7.960 -24.459 -1.570 1.00 24.13 C ATOM 705 O VAL A 45 7.258 -25.140 -2.319 1.00 24.45 O ATOM 706 CB VAL A 45 10.047 -23.391 -2.426 1.00 60.41 C ATOM 707 CG1 VAL A 45 9.333 -23.274 -3.763 1.00 23.33 C ATOM 708 CG2 VAL A 45 9.936 -22.096 -1.637 1.00 21.34 C ATOM 0 H VAL A 45 9.191 -26.316 -2.734 1.00 44.30 H new ATOM 0 HA VAL A 45 9.872 -24.524 -0.596 1.00 71.11 H new ATOM 0 HB VAL A 45 11.103 -23.581 -2.620 1.00 60.41 H new ATOM 0 HG11 VAL A 45 9.747 -22.436 -4.324 1.00 23.33 H new ATOM 0 HG12 VAL A 45 9.471 -24.194 -4.331 1.00 23.33 H new ATOM 0 HG13 VAL A 45 8.269 -23.108 -3.594 1.00 23.33 H new ATOM 0 HG21 VAL A 45 10.341 -21.274 -2.227 1.00 21.34 H new ATOM 0 HG22 VAL A 45 8.889 -21.897 -1.409 1.00 21.34 H new ATOM 0 HG23 VAL A 45 10.498 -22.187 -0.708 1.00 21.34 H new ATOM 718 N ARG A 46 7.459 -23.599 -0.691 1.00 33.25 N ATOM 719 CA ARG A 46 6.021 -23.400 -0.551 1.00 13.25 C ATOM 720 C ARG A 46 5.701 -21.937 -0.257 1.00 35.22 C ATOM 721 O ARG A 46 6.006 -21.429 0.822 1.00 45.34 O ATOM 722 CB ARG A 46 5.468 -24.289 0.565 1.00 60.23 C ATOM 723 CG ARG A 46 6.370 -24.367 1.785 1.00 34.50 C ATOM 724 CD ARG A 46 5.751 -25.218 2.883 1.00 54.54 C ATOM 725 NE ARG A 46 4.366 -24.841 3.152 1.00 74.02 N ATOM 726 CZ ARG A 46 4.017 -23.710 3.754 1.00 73.42 C ATOM 727 NH1 ARG A 46 4.946 -22.849 4.147 1.00 53.11 N1+ ATOM 728 NH2 ARG A 46 2.735 -23.437 3.964 1.00 42.44 N ATOM 0 H ARG A 46 8.027 -23.028 -0.065 1.00 33.25 H new ATOM 0 HA ARG A 46 5.548 -23.675 -1.493 1.00 13.25 H new ATOM 0 HB2 ARG A 46 4.492 -23.911 0.869 1.00 60.23 H new ATOM 0 HB3 ARG A 46 5.313 -25.294 0.174 1.00 60.23 H new ATOM 0 HG2 ARG A 46 7.335 -24.786 1.499 1.00 34.50 H new ATOM 0 HG3 ARG A 46 6.558 -23.363 2.164 1.00 34.50 H new ATOM 0 HD2 ARG A 46 5.791 -26.268 2.594 1.00 54.54 H new ATOM 0 HD3 ARG A 46 6.338 -25.116 3.796 1.00 54.54 H new ATOM 0 HE ARG A 46 3.627 -25.481 2.862 1.00 74.02 H new ATOM 0 HH11 ARG A 46 5.932 -23.055 3.987 1.00 53.11 H new ATOM 0 HH12 ARG A 46 4.674 -21.981 4.609 1.00 53.11 H new ATOM 0 HH21 ARG A 46 2.017 -24.096 3.663 1.00 42.44 H new ATOM 0 HH22 ARG A 46 2.468 -22.568 4.426 1.00 42.44 H new ATOM 742 N VAL A 47 5.083 -21.266 -1.223 1.00 13.15 N ATOM 743 CA VAL A 47 4.720 -19.863 -1.069 1.00 40.55 C ATOM 744 C VAL A 47 3.404 -19.715 -0.314 1.00 21.11 C ATOM 745 O VAL A 47 2.494 -20.529 -0.469 1.00 40.40 O ATOM 746 CB VAL A 47 4.598 -19.160 -2.434 1.00 43.43 C ATOM 747 CG1 VAL A 47 4.171 -17.711 -2.253 1.00 73.12 C ATOM 748 CG2 VAL A 47 5.913 -19.245 -3.195 1.00 3.11 C ATOM 0 H VAL A 47 4.823 -21.672 -2.122 1.00 13.15 H new ATOM 0 HA VAL A 47 5.519 -19.392 -0.497 1.00 40.55 H new ATOM 0 HB VAL A 47 3.831 -19.669 -3.018 1.00 43.43 H new ATOM 0 HG11 VAL A 47 4.090 -17.231 -3.228 1.00 73.12 H new ATOM 0 HG12 VAL A 47 3.204 -17.677 -1.750 1.00 73.12 H new ATOM 0 HG13 VAL A 47 4.912 -17.186 -1.650 1.00 73.12 H new ATOM 0 HG21 VAL A 47 5.810 -18.743 -4.157 1.00 3.11 H new ATOM 0 HG22 VAL A 47 6.700 -18.761 -2.616 1.00 3.11 H new ATOM 0 HG23 VAL A 47 6.173 -20.291 -3.357 1.00 3.11 H new ATOM 758 N ASP A 48 3.310 -18.671 0.502 1.00 31.11 N ATOM 759 CA ASP A 48 2.103 -18.415 1.280 1.00 72.44 C ATOM 760 C ASP A 48 1.780 -16.924 1.307 1.00 70.23 C ATOM 761 O ASP A 48 2.423 -16.153 2.022 1.00 21.40 O ATOM 762 CB ASP A 48 2.270 -18.940 2.707 1.00 33.25 C ATOM 763 CG ASP A 48 0.953 -19.370 3.323 1.00 71.03 C ATOM 764 OD1 ASP A 48 0.057 -19.798 2.567 1.00 23.12 O ATOM 765 OD2 ASP A 48 0.819 -19.277 4.562 1.00 32.52 O1- ATOM 0 H ASP A 48 4.055 -17.988 0.642 1.00 31.11 H new ATOM 0 HA ASP A 48 1.275 -18.939 0.803 1.00 72.44 H new ATOM 0 HB2 ASP A 48 2.959 -19.785 2.702 1.00 33.25 H new ATOM 0 HB3 ASP A 48 2.721 -18.165 3.326 1.00 33.25 H new ATOM 770 N LEU A 49 0.784 -16.525 0.526 1.00 24.33 N ATOM 771 CA LEU A 49 0.376 -15.126 0.459 1.00 74.30 C ATOM 772 C LEU A 49 -0.763 -14.844 1.434 1.00 41.23 C ATOM 773 O LEU A 49 -1.626 -15.693 1.657 1.00 13.24 O ATOM 774 CB LEU A 49 -0.055 -14.767 -0.964 1.00 25.14 C ATOM 775 CG LEU A 49 -0.561 -13.339 -1.172 1.00 4.23 C ATOM 776 CD1 LEU A 49 -0.246 -12.860 -2.580 1.00 52.13 C ATOM 777 CD2 LEU A 49 -2.057 -13.260 -0.901 1.00 21.20 C ATOM 0 H LEU A 49 0.243 -17.151 -0.071 1.00 24.33 H new ATOM 0 HA LEU A 49 1.231 -14.510 0.739 1.00 74.30 H new ATOM 0 HB2 LEU A 49 0.791 -14.932 -1.631 1.00 25.14 H new ATOM 0 HB3 LEU A 49 -0.841 -15.458 -1.269 1.00 25.14 H new ATOM 0 HG LEU A 49 -0.048 -12.685 -0.466 1.00 4.23 H new ATOM 0 HD11 LEU A 49 -0.614 -11.842 -2.709 1.00 52.13 H new ATOM 0 HD12 LEU A 49 0.832 -12.879 -2.738 1.00 52.13 H new ATOM 0 HD13 LEU A 49 -0.730 -13.515 -3.304 1.00 52.13 H new ATOM 0 HD21 LEU A 49 -2.401 -12.237 -1.054 1.00 21.20 H new ATOM 0 HD22 LEU A 49 -2.586 -13.926 -1.583 1.00 21.20 H new ATOM 0 HD23 LEU A 49 -2.257 -13.560 0.128 1.00 21.20 H new ATOM 789 N ASN A 50 -0.762 -13.646 2.008 1.00 2.14 N ATOM 790 CA ASN A 50 -1.795 -13.251 2.957 1.00 51.24 C ATOM 791 C ASN A 50 -2.628 -12.097 2.407 1.00 73.32 C ATOM 792 O ASN A 50 -2.200 -10.942 2.431 1.00 30.13 O ATOM 793 CB ASN A 50 -1.166 -12.849 4.292 1.00 23.52 C ATOM 794 CG ASN A 50 -0.646 -14.043 5.069 1.00 61.45 C ATOM 795 OD1 ASN A 50 -0.364 -15.095 4.496 1.00 42.53 O ATOM 796 ND2 ASN A 50 -0.516 -13.884 6.381 1.00 44.50 N ATOM 0 H ASN A 50 -0.056 -12.931 1.832 1.00 2.14 H new ATOM 0 HA ASN A 50 -2.452 -14.106 3.116 1.00 51.24 H new ATOM 0 HB2 ASN A 50 -0.347 -12.153 4.110 1.00 23.52 H new ATOM 0 HB3 ASN A 50 -1.905 -12.321 4.894 1.00 23.52 H new ATOM 0 HD21 ASN A 50 -0.170 -14.652 6.956 1.00 44.50 H new ATOM 0 HD22 ASN A 50 -0.762 -12.994 6.814 1.00 44.50 H new ATOM 803 N ARG A 51 -3.818 -12.416 1.910 1.00 0.13 N ATOM 804 CA ARG A 51 -4.709 -11.407 1.352 1.00 51.01 C ATOM 805 C ARG A 51 -5.250 -10.493 2.449 1.00 31.24 C ATOM 806 O ARG A 51 -5.846 -9.454 2.167 1.00 2.24 O ATOM 807 CB ARG A 51 -5.870 -12.073 0.612 1.00 21.12 C ATOM 808 CG ARG A 51 -6.738 -12.949 1.500 1.00 33.14 C ATOM 809 CD ARG A 51 -8.210 -12.824 1.139 1.00 3.53 C ATOM 810 NE ARG A 51 -8.853 -11.714 1.838 1.00 0.04 N ATOM 811 CZ ARG A 51 -9.078 -11.703 3.147 1.00 72.34 C ATOM 812 NH1 ARG A 51 -8.716 -12.737 3.895 1.00 33.11 N1+ ATOM 813 NH2 ARG A 51 -9.668 -10.657 3.711 1.00 73.32 N ATOM 0 H ARG A 51 -4.188 -13.366 1.882 1.00 0.13 H new ATOM 0 HA ARG A 51 -4.137 -10.803 0.648 1.00 51.01 H new ATOM 0 HB2 ARG A 51 -6.492 -11.300 0.160 1.00 21.12 H new ATOM 0 HB3 ARG A 51 -5.471 -12.678 -0.202 1.00 21.12 H new ATOM 0 HG2 ARG A 51 -6.426 -13.989 1.404 1.00 33.14 H new ATOM 0 HG3 ARG A 51 -6.593 -12.668 2.543 1.00 33.14 H new ATOM 0 HD2 ARG A 51 -8.308 -12.680 0.063 1.00 3.53 H new ATOM 0 HD3 ARG A 51 -8.724 -13.753 1.385 1.00 3.53 H new ATOM 0 HE ARG A 51 -9.145 -10.904 1.291 1.00 0.04 H new ATOM 0 HH11 ARG A 51 -8.263 -13.544 3.465 1.00 33.11 H new ATOM 0 HH12 ARG A 51 -8.890 -12.725 4.900 1.00 33.11 H new ATOM 0 HH21 ARG A 51 -9.949 -9.860 3.139 1.00 73.32 H new ATOM 0 HH22 ARG A 51 -9.840 -10.649 4.716 1.00 73.32 H new ATOM 827 N GLU A 52 -5.038 -10.890 3.700 1.00 34.15 N ATOM 828 CA GLU A 52 -5.506 -10.108 4.839 1.00 24.22 C ATOM 829 C GLU A 52 -4.682 -8.833 4.998 1.00 0.20 C ATOM 830 O GLU A 52 -5.215 -7.772 5.322 1.00 22.35 O ATOM 831 CB GLU A 52 -5.433 -10.938 6.121 1.00 52.12 C ATOM 832 CG GLU A 52 -4.051 -11.503 6.402 1.00 75.31 C ATOM 833 CD GLU A 52 -4.001 -12.313 7.685 1.00 73.42 C ATOM 834 OE1 GLU A 52 -4.424 -13.488 7.660 1.00 11.41 O ATOM 835 OE2 GLU A 52 -3.541 -11.771 8.711 1.00 52.33 O1- ATOM 0 H GLU A 52 -4.546 -11.748 3.950 1.00 34.15 H new ATOM 0 HA GLU A 52 -6.544 -9.830 4.654 1.00 24.22 H new ATOM 0 HB2 GLU A 52 -5.741 -10.318 6.963 1.00 52.12 H new ATOM 0 HB3 GLU A 52 -6.145 -11.760 6.053 1.00 52.12 H new ATOM 0 HG2 GLU A 52 -3.743 -12.133 5.567 1.00 75.31 H new ATOM 0 HG3 GLU A 52 -3.334 -10.685 6.465 1.00 75.31 H new ATOM 842 N THR A 53 -3.377 -8.946 4.767 1.00 23.40 N ATOM 843 CA THR A 53 -2.479 -7.805 4.886 1.00 34.31 C ATOM 844 C THR A 53 -1.665 -7.610 3.612 1.00 54.44 C ATOM 845 O THR A 53 -0.643 -6.926 3.615 1.00 31.00 O ATOM 846 CB THR A 53 -1.516 -7.970 6.076 1.00 73.11 C ATOM 847 OG1 THR A 53 -0.575 -9.015 5.804 1.00 13.41 O ATOM 848 CG2 THR A 53 -2.280 -8.290 7.352 1.00 32.42 C ATOM 0 H THR A 53 -2.919 -9.817 4.496 1.00 23.40 H new ATOM 0 HA THR A 53 -3.104 -6.928 5.052 1.00 34.31 H new ATOM 0 HB THR A 53 -0.984 -7.029 6.216 1.00 73.11 H new ATOM 0 HG1 THR A 53 0.035 -9.112 6.565 1.00 13.41 H new ATOM 0 HG21 THR A 53 -1.578 -8.402 8.178 1.00 32.42 H new ATOM 0 HG22 THR A 53 -2.974 -7.480 7.573 1.00 32.42 H new ATOM 0 HG23 THR A 53 -2.836 -9.218 7.220 1.00 32.42 H new ATOM 856 N GLY A 54 -2.127 -8.217 2.522 1.00 23.41 N ATOM 857 CA GLY A 54 -1.430 -8.096 1.255 1.00 44.31 C ATOM 858 C GLY A 54 0.044 -8.436 1.369 1.00 5.13 C ATOM 859 O GLY A 54 0.866 -7.922 0.612 1.00 74.51 O ATOM 0 H GLY A 54 -2.971 -8.790 2.494 1.00 23.41 H new ATOM 0 HA2 GLY A 54 -1.896 -8.755 0.523 1.00 44.31 H new ATOM 0 HA3 GLY A 54 -1.537 -7.078 0.881 1.00 44.31 H new ATOM 863 N SER A 55 0.377 -9.303 2.321 1.00 33.40 N ATOM 864 CA SER A 55 1.762 -9.706 2.536 1.00 75.11 C ATOM 865 C SER A 55 2.063 -11.019 1.818 1.00 63.23 C ATOM 866 O SER A 55 1.152 -11.728 1.392 1.00 45.55 O ATOM 867 CB SER A 55 2.046 -9.852 4.032 1.00 55.25 C ATOM 868 OG SER A 55 2.407 -8.607 4.606 1.00 71.01 O ATOM 0 H SER A 55 -0.293 -9.739 2.955 1.00 33.40 H new ATOM 0 HA SER A 55 2.409 -8.931 2.125 1.00 75.11 H new ATOM 0 HB2 SER A 55 1.164 -10.246 4.536 1.00 55.25 H new ATOM 0 HB3 SER A 55 2.849 -10.573 4.184 1.00 55.25 H new ATOM 0 HG SER A 55 2.582 -8.726 5.563 1.00 71.01 H new ATOM 874 N ILE A 56 3.347 -11.335 1.691 1.00 3.53 N ATOM 875 CA ILE A 56 3.769 -12.562 1.027 1.00 74.13 C ATOM 876 C ILE A 56 5.090 -13.069 1.597 1.00 0.40 C ATOM 877 O ILE A 56 5.977 -12.283 1.928 1.00 42.33 O ATOM 878 CB ILE A 56 3.923 -12.357 -0.491 1.00 73.52 C ATOM 879 CG1 ILE A 56 3.106 -13.401 -1.255 1.00 3.03 C ATOM 880 CG2 ILE A 56 5.390 -12.429 -0.889 1.00 41.12 C ATOM 881 CD1 ILE A 56 3.438 -14.826 -0.873 1.00 3.04 C ATOM 0 H ILE A 56 4.113 -10.759 2.039 1.00 3.53 H new ATOM 0 HA ILE A 56 2.990 -13.302 1.208 1.00 74.13 H new ATOM 0 HB ILE A 56 3.545 -11.368 -0.749 1.00 73.52 H new ATOM 0 HG12 ILE A 56 2.046 -13.223 -1.076 1.00 3.03 H new ATOM 0 HG13 ILE A 56 3.275 -13.271 -2.324 1.00 3.03 H new ATOM 0 HG21 ILE A 56 5.483 -12.282 -1.965 1.00 41.12 H new ATOM 0 HG22 ILE A 56 5.947 -11.651 -0.367 1.00 41.12 H new ATOM 0 HG23 ILE A 56 5.792 -13.406 -0.620 1.00 41.12 H new ATOM 0 HD11 ILE A 56 2.821 -15.512 -1.454 1.00 3.04 H new ATOM 0 HD12 ILE A 56 4.490 -15.022 -1.078 1.00 3.04 H new ATOM 0 HD13 ILE A 56 3.242 -14.973 0.189 1.00 3.04 H new ATOM 893 N ARG A 57 5.212 -14.388 1.707 1.00 32.14 N ATOM 894 CA ARG A 57 6.425 -15.001 2.237 1.00 64.45 C ATOM 895 C ARG A 57 6.649 -16.380 1.624 1.00 32.01 C ATOM 896 O ARG A 57 5.717 -17.175 1.500 1.00 32.22 O ATOM 897 CB ARG A 57 6.340 -15.115 3.761 1.00 61.04 C ATOM 898 CG ARG A 57 6.389 -13.775 4.475 1.00 70.51 C ATOM 899 CD ARG A 57 7.753 -13.118 4.335 1.00 15.33 C ATOM 900 NE ARG A 57 7.957 -12.062 5.324 1.00 71.31 N ATOM 901 CZ ARG A 57 7.483 -10.829 5.192 1.00 72.11 C ATOM 902 NH1 ARG A 57 6.781 -10.497 4.117 1.00 34.40 N1+ ATOM 903 NH2 ARG A 57 7.711 -9.925 6.136 1.00 34.43 N ATOM 0 H ARG A 57 4.487 -15.052 1.437 1.00 32.14 H new ATOM 0 HA ARG A 57 7.270 -14.364 1.974 1.00 64.45 H new ATOM 0 HB2 ARG A 57 5.415 -15.626 4.028 1.00 61.04 H new ATOM 0 HB3 ARG A 57 7.161 -15.737 4.117 1.00 61.04 H new ATOM 0 HG2 ARG A 57 5.623 -13.116 4.067 1.00 70.51 H new ATOM 0 HG3 ARG A 57 6.159 -13.916 5.531 1.00 70.51 H new ATOM 0 HD2 ARG A 57 8.532 -13.873 4.445 1.00 15.33 H new ATOM 0 HD3 ARG A 57 7.853 -12.700 3.333 1.00 15.33 H new ATOM 0 HE ARG A 57 8.493 -12.285 6.163 1.00 71.31 H new ATOM 0 HH11 ARG A 57 6.604 -11.190 3.389 1.00 34.40 H new ATOM 0 HH12 ARG A 57 6.418 -9.549 4.018 1.00 34.40 H new ATOM 0 HH21 ARG A 57 8.251 -10.177 6.964 1.00 34.43 H new ATOM 0 HH22 ARG A 57 7.346 -8.978 6.034 1.00 34.43 H new ATOM 917 N VAL A 58 7.892 -16.658 1.242 1.00 42.34 N ATOM 918 CA VAL A 58 8.239 -17.940 0.643 1.00 43.54 C ATOM 919 C VAL A 58 9.233 -18.702 1.511 1.00 10.15 C ATOM 920 O VAL A 58 10.344 -18.233 1.760 1.00 73.04 O ATOM 921 CB VAL A 58 8.838 -17.758 -0.765 1.00 23.50 C ATOM 922 CG1 VAL A 58 8.900 -19.091 -1.495 1.00 55.51 C ATOM 923 CG2 VAL A 58 8.032 -16.743 -1.559 1.00 4.35 C ATOM 0 H VAL A 58 8.675 -16.011 1.337 1.00 42.34 H new ATOM 0 HA VAL A 58 7.315 -18.513 0.566 1.00 43.54 H new ATOM 0 HB VAL A 58 9.855 -17.380 -0.662 1.00 23.50 H new ATOM 0 HG11 VAL A 58 9.326 -18.943 -2.487 1.00 55.51 H new ATOM 0 HG12 VAL A 58 9.524 -19.785 -0.932 1.00 55.51 H new ATOM 0 HG13 VAL A 58 7.895 -19.501 -1.589 1.00 55.51 H new ATOM 0 HG21 VAL A 58 8.469 -16.627 -2.551 1.00 4.35 H new ATOM 0 HG22 VAL A 58 7.003 -17.090 -1.654 1.00 4.35 H new ATOM 0 HG23 VAL A 58 8.045 -15.783 -1.042 1.00 4.35 H new ATOM 933 N PHE A 59 8.826 -19.880 1.973 1.00 1.31 N ATOM 934 CA PHE A 59 9.681 -20.708 2.816 1.00 44.44 C ATOM 935 C PHE A 59 9.982 -22.043 2.141 1.00 1.24 C ATOM 936 O PHE A 59 9.196 -22.531 1.330 1.00 3.23 O ATOM 937 CB PHE A 59 9.017 -20.948 4.173 1.00 43.13 C ATOM 938 CG PHE A 59 8.541 -19.687 4.839 1.00 34.01 C ATOM 939 CD1 PHE A 59 7.268 -19.199 4.597 1.00 45.01 C ATOM 940 CD2 PHE A 59 9.369 -18.991 5.704 1.00 52.45 C ATOM 941 CE1 PHE A 59 6.826 -18.041 5.209 1.00 52.11 C ATOM 942 CE2 PHE A 59 8.934 -17.831 6.318 1.00 33.32 C ATOM 943 CZ PHE A 59 7.661 -17.356 6.070 1.00 33.22 C ATOM 0 H PHE A 59 7.909 -20.283 1.778 1.00 1.31 H new ATOM 0 HA PHE A 59 10.621 -20.178 2.968 1.00 44.44 H new ATOM 0 HB2 PHE A 59 8.170 -21.621 4.040 1.00 43.13 H new ATOM 0 HB3 PHE A 59 9.725 -21.452 4.831 1.00 43.13 H new ATOM 0 HD1 PHE A 59 6.613 -19.729 3.922 1.00 45.01 H new ATOM 0 HD2 PHE A 59 10.365 -19.358 5.901 1.00 52.45 H new ATOM 0 HE1 PHE A 59 5.830 -17.673 5.014 1.00 52.11 H new ATOM 0 HE2 PHE A 59 9.589 -17.297 6.991 1.00 33.32 H new ATOM 0 HZ PHE A 59 7.319 -16.450 6.549 1.00 33.22 H new ATOM 953 N ALA A 60 11.125 -22.628 2.483 1.00 64.33 N ATOM 954 CA ALA A 60 11.529 -23.907 1.912 1.00 61.55 C ATOM 955 C ALA A 60 11.334 -25.041 2.913 1.00 45.11 C ATOM 956 O ALA A 60 11.873 -25.003 4.019 1.00 31.21 O ATOM 957 CB ALA A 60 12.979 -23.847 1.455 1.00 21.41 C ATOM 0 H ALA A 60 11.788 -22.237 3.153 1.00 64.33 H new ATOM 0 HA ALA A 60 10.896 -24.107 1.048 1.00 61.55 H new ATOM 0 HB1 ALA A 60 13.267 -24.809 1.031 1.00 21.41 H new ATOM 0 HB2 ALA A 60 13.090 -23.069 0.699 1.00 21.41 H new ATOM 0 HB3 ALA A 60 13.620 -23.620 2.307 1.00 21.41 H new ATOM 963 N ARG A 61 10.561 -26.047 2.518 1.00 41.23 N ATOM 964 CA ARG A 61 10.294 -27.191 3.382 1.00 72.14 C ATOM 965 C ARG A 61 11.477 -28.154 3.390 1.00 20.13 C ATOM 966 O ARG A 61 11.907 -28.636 2.342 1.00 1.01 O ATOM 967 CB ARG A 61 9.032 -27.922 2.921 1.00 64.24 C ATOM 968 CG ARG A 61 8.150 -28.394 4.065 1.00 32.03 C ATOM 969 CD ARG A 61 6.989 -29.238 3.561 1.00 70.43 C ATOM 970 NE ARG A 61 5.905 -29.315 4.536 1.00 4.21 N ATOM 971 CZ ARG A 61 4.974 -30.262 4.526 1.00 31.53 C ATOM 972 NH1 ARG A 61 4.994 -31.208 3.597 1.00 71.04 N1+ ATOM 973 NH2 ARG A 61 4.019 -30.265 5.448 1.00 24.30 N ATOM 0 H ARG A 61 10.108 -26.093 1.605 1.00 41.23 H new ATOM 0 HA ARG A 61 10.142 -26.821 4.396 1.00 72.14 H new ATOM 0 HB2 ARG A 61 8.454 -27.260 2.277 1.00 64.24 H new ATOM 0 HB3 ARG A 61 9.321 -28.782 2.317 1.00 64.24 H new ATOM 0 HG2 ARG A 61 8.745 -28.975 4.769 1.00 32.03 H new ATOM 0 HG3 ARG A 61 7.765 -27.531 4.609 1.00 32.03 H new ATOM 0 HD2 ARG A 61 6.610 -28.815 2.631 1.00 70.43 H new ATOM 0 HD3 ARG A 61 7.344 -30.243 3.333 1.00 70.43 H new ATOM 0 HE ARG A 61 5.860 -28.603 5.265 1.00 4.21 H new ATOM 0 HH11 ARG A 61 5.726 -31.210 2.887 1.00 71.04 H new ATOM 0 HH12 ARG A 61 4.277 -31.934 3.593 1.00 71.04 H new ATOM 0 HH21 ARG A 61 4.000 -29.540 6.165 1.00 24.30 H new ATOM 0 HH22 ARG A 61 3.304 -30.993 5.440 1.00 24.30 H new ATOM 987 N LYS A 62 12.001 -28.428 4.580 1.00 10.33 N ATOM 988 CA LYS A 62 13.135 -29.334 4.726 1.00 21.43 C ATOM 989 C LYS A 62 12.823 -30.438 5.731 1.00 75.40 C ATOM 990 O LYS A 62 12.277 -30.178 6.804 1.00 2.42 O ATOM 991 CB LYS A 62 14.378 -28.560 5.172 1.00 43.22 C ATOM 992 CG LYS A 62 15.018 -27.745 4.061 1.00 41.54 C ATOM 993 CD LYS A 62 15.883 -26.627 4.618 1.00 43.23 C ATOM 994 CE LYS A 62 17.025 -26.284 3.673 1.00 43.44 C ATOM 995 NZ LYS A 62 18.331 -26.796 4.173 1.00 24.24 N1+ ATOM 0 H LYS A 62 11.659 -28.036 5.457 1.00 10.33 H new ATOM 0 HA LYS A 62 13.329 -29.793 3.757 1.00 21.43 H new ATOM 0 HB2 LYS A 62 14.106 -27.893 5.990 1.00 43.22 H new ATOM 0 HB3 LYS A 62 15.112 -29.263 5.565 1.00 43.22 H new ATOM 0 HG2 LYS A 62 15.625 -28.397 3.433 1.00 41.54 H new ATOM 0 HG3 LYS A 62 14.241 -27.322 3.424 1.00 41.54 H new ATOM 0 HD2 LYS A 62 15.271 -25.741 4.787 1.00 43.23 H new ATOM 0 HD3 LYS A 62 16.287 -26.925 5.586 1.00 43.23 H new ATOM 0 HE2 LYS A 62 16.822 -26.707 2.689 1.00 43.44 H new ATOM 0 HE3 LYS A 62 17.082 -25.203 3.550 1.00 43.44 H new ATOM 0 HZ1 LYS A 62 19.059 -26.663 3.442 1.00 24.24 H new ATOM 0 HZ2 LYS A 62 18.603 -26.275 5.031 1.00 24.24 H new ATOM 0 HZ3 LYS A 62 18.245 -27.808 4.395 1.00 24.24 H new ATOM 1009 N ASP A 63 13.175 -31.669 5.380 1.00 23.54 N ATOM 1010 CA ASP A 63 12.935 -32.813 6.252 1.00 42.41 C ATOM 1011 C ASP A 63 13.937 -32.838 7.402 1.00 73.33 C ATOM 1012 O ASP A 63 15.132 -33.050 7.194 1.00 62.32 O ATOM 1013 CB ASP A 63 13.019 -34.116 5.456 1.00 73.01 C ATOM 1014 CG ASP A 63 11.728 -34.909 5.505 1.00 64.14 C ATOM 1015 OD1 ASP A 63 11.021 -34.828 6.530 1.00 40.11 O ATOM 1016 OD2 ASP A 63 11.425 -35.611 4.517 1.00 60.22 O1- ATOM 0 H ASP A 63 13.628 -31.901 4.496 1.00 23.54 H new ATOM 0 HA ASP A 63 11.933 -32.717 6.669 1.00 42.41 H new ATOM 0 HB2 ASP A 63 13.263 -33.889 4.418 1.00 73.01 H new ATOM 0 HB3 ASP A 63 13.832 -34.727 5.849 1.00 73.01 H new ATOM 1021 N VAL A 64 13.442 -32.621 8.616 1.00 22.25 N ATOM 1022 CA VAL A 64 14.294 -32.619 9.800 1.00 63.30 C ATOM 1023 C VAL A 64 14.846 -34.012 10.081 1.00 51.12 C ATOM 1024 O VAL A 64 14.094 -34.942 10.376 1.00 75.14 O ATOM 1025 CB VAL A 64 13.529 -32.122 11.040 1.00 43.02 C ATOM 1026 CG1 VAL A 64 14.426 -32.151 12.268 1.00 52.52 C ATOM 1027 CG2 VAL A 64 12.982 -30.721 10.804 1.00 14.04 C ATOM 0 H VAL A 64 12.456 -32.444 8.806 1.00 22.25 H new ATOM 0 HA VAL A 64 15.120 -31.938 9.595 1.00 63.30 H new ATOM 0 HB VAL A 64 12.687 -32.791 11.217 1.00 43.02 H new ATOM 0 HG11 VAL A 64 13.868 -31.796 13.135 1.00 52.52 H new ATOM 0 HG12 VAL A 64 14.765 -33.171 12.447 1.00 52.52 H new ATOM 0 HG13 VAL A 64 15.289 -31.506 12.103 1.00 52.52 H new ATOM 0 HG21 VAL A 64 12.444 -30.386 11.691 1.00 14.04 H new ATOM 0 HG22 VAL A 64 13.807 -30.038 10.600 1.00 14.04 H new ATOM 0 HG23 VAL A 64 12.303 -30.734 9.952 1.00 14.04 H new ATOM 1037 N VAL A 65 16.165 -34.148 9.991 1.00 11.54 N ATOM 1038 CA VAL A 65 16.819 -35.428 10.238 1.00 13.21 C ATOM 1039 C VAL A 65 18.160 -35.234 10.938 1.00 31.21 C ATOM 1040 O VAL A 65 18.748 -34.153 10.886 1.00 25.11 O ATOM 1041 CB VAL A 65 17.046 -36.204 8.926 1.00 54.34 C ATOM 1042 CG1 VAL A 65 15.717 -36.536 8.265 1.00 54.12 C ATOM 1043 CG2 VAL A 65 17.936 -35.409 7.983 1.00 31.51 C ATOM 0 H VAL A 65 16.801 -33.388 9.749 1.00 11.54 H new ATOM 0 HA VAL A 65 16.155 -36.004 10.883 1.00 13.21 H new ATOM 0 HB VAL A 65 17.551 -37.141 9.162 1.00 54.34 H new ATOM 0 HG11 VAL A 65 15.897 -37.084 7.340 1.00 54.12 H new ATOM 0 HG12 VAL A 65 15.119 -37.149 8.939 1.00 54.12 H new ATOM 0 HG13 VAL A 65 15.181 -35.613 8.042 1.00 54.12 H new ATOM 0 HG21 VAL A 65 18.085 -35.973 7.062 1.00 31.51 H new ATOM 0 HG22 VAL A 65 17.461 -34.455 7.752 1.00 31.51 H new ATOM 0 HG23 VAL A 65 18.900 -35.229 8.458 1.00 31.51 H new ATOM 1053 N ASP A 66 18.636 -36.286 11.593 1.00 62.52 N ATOM 1054 CA ASP A 66 19.908 -36.233 12.304 1.00 23.33 C ATOM 1055 C ASP A 66 21.035 -35.803 11.369 1.00 21.04 C ATOM 1056 O ASP A 66 21.895 -35.007 11.746 1.00 0.24 O ATOM 1057 CB ASP A 66 20.231 -37.595 12.919 1.00 11.32 C ATOM 1058 CG ASP A 66 21.318 -37.512 13.973 1.00 10.50 C ATOM 1059 OD1 ASP A 66 21.274 -36.575 14.797 1.00 75.33 O1- ATOM 1060 OD2 ASP A 66 22.212 -38.383 13.974 1.00 32.13 O ATOM 0 H ASP A 66 18.160 -37.187 11.647 1.00 62.52 H new ATOM 0 HA ASP A 66 19.820 -35.495 13.102 1.00 23.33 H new ATOM 0 HB2 ASP A 66 19.328 -38.012 13.365 1.00 11.32 H new ATOM 0 HB3 ASP A 66 20.544 -38.281 12.132 1.00 11.32 H new ATOM 1065 N GLU A 67 21.023 -36.335 10.152 1.00 15.03 N ATOM 1066 CA GLU A 67 22.045 -36.006 9.165 1.00 31.11 C ATOM 1067 C GLU A 67 21.438 -35.889 7.771 1.00 50.23 C ATOM 1068 O GLU A 67 20.503 -36.612 7.425 1.00 63.43 O ATOM 1069 CB GLU A 67 23.147 -37.070 9.166 1.00 55.42 C ATOM 1070 CG GLU A 67 24.128 -36.929 10.317 1.00 72.25 C ATOM 1071 CD GLU A 67 25.268 -37.924 10.237 1.00 31.21 C ATOM 1072 OE1 GLU A 67 25.616 -38.337 9.111 1.00 25.33 O1- ATOM 1073 OE2 GLU A 67 25.813 -38.290 11.299 1.00 71.05 O ATOM 0 H GLU A 67 20.318 -36.995 9.825 1.00 15.03 H new ATOM 0 HA GLU A 67 22.478 -35.043 9.435 1.00 31.11 H new ATOM 0 HB2 GLU A 67 22.687 -38.057 9.211 1.00 55.42 H new ATOM 0 HB3 GLU A 67 23.694 -37.015 8.225 1.00 55.42 H new ATOM 0 HG2 GLU A 67 24.534 -35.917 10.322 1.00 72.25 H new ATOM 0 HG3 GLU A 67 23.598 -37.065 11.260 1.00 72.25 H new ATOM 1080 N VAL A 68 21.976 -34.973 6.972 1.00 15.43 N ATOM 1081 CA VAL A 68 21.488 -34.760 5.615 1.00 65.11 C ATOM 1082 C VAL A 68 21.424 -36.072 4.842 1.00 4.00 C ATOM 1083 O VAL A 68 22.450 -36.698 4.572 1.00 42.11 O ATOM 1084 CB VAL A 68 22.382 -33.767 4.846 1.00 61.52 C ATOM 1085 CG1 VAL A 68 21.904 -33.621 3.409 1.00 71.34 C ATOM 1086 CG2 VAL A 68 22.406 -32.419 5.549 1.00 63.52 C ATOM 0 H VAL A 68 22.750 -34.366 7.241 1.00 15.43 H new ATOM 0 HA VAL A 68 20.485 -34.343 5.701 1.00 65.11 H new ATOM 0 HB VAL A 68 23.399 -34.159 4.827 1.00 61.52 H new ATOM 0 HG11 VAL A 68 22.547 -32.916 2.882 1.00 71.34 H new ATOM 0 HG12 VAL A 68 21.944 -34.590 2.912 1.00 71.34 H new ATOM 0 HG13 VAL A 68 20.879 -33.252 3.402 1.00 71.34 H new ATOM 0 HG21 VAL A 68 23.042 -31.730 4.993 1.00 63.52 H new ATOM 0 HG22 VAL A 68 21.394 -32.018 5.601 1.00 63.52 H new ATOM 0 HG23 VAL A 68 22.800 -32.542 6.558 1.00 63.52 H new ATOM 1096 N TYR A 69 20.211 -36.484 4.487 1.00 32.10 N ATOM 1097 CA TYR A 69 20.012 -37.724 3.746 1.00 32.14 C ATOM 1098 C TYR A 69 19.409 -37.447 2.373 1.00 61.22 C ATOM 1099 O TYR A 69 19.554 -38.244 1.446 1.00 10.20 O ATOM 1100 CB TYR A 69 19.105 -38.671 4.532 1.00 62.24 C ATOM 1101 CG TYR A 69 19.572 -38.924 5.948 1.00 44.51 C ATOM 1102 CD1 TYR A 69 20.903 -39.219 6.218 1.00 73.44 C ATOM 1103 CD2 TYR A 69 18.684 -38.869 7.015 1.00 23.33 C ATOM 1104 CE1 TYR A 69 21.336 -39.450 7.509 1.00 1.01 C ATOM 1105 CE2 TYR A 69 19.108 -39.097 8.310 1.00 60.10 C ATOM 1106 CZ TYR A 69 20.435 -39.388 8.551 1.00 34.24 C ATOM 1107 OH TYR A 69 20.860 -39.618 9.839 1.00 60.13 O ATOM 0 H TYR A 69 19.352 -35.977 4.700 1.00 32.10 H new ATOM 0 HA TYR A 69 20.985 -38.195 3.607 1.00 32.14 H new ATOM 0 HB2 TYR A 69 18.098 -38.256 4.560 1.00 62.24 H new ATOM 0 HB3 TYR A 69 19.043 -39.622 4.004 1.00 62.24 H new ATOM 0 HD1 TYR A 69 21.611 -39.268 5.404 1.00 73.44 H new ATOM 0 HD2 TYR A 69 17.644 -38.644 6.829 1.00 23.33 H new ATOM 0 HE1 TYR A 69 22.374 -39.678 7.701 1.00 1.01 H new ATOM 0 HE2 TYR A 69 18.405 -39.048 9.129 1.00 60.10 H new ATOM 0 HH TYR A 69 21.745 -40.039 9.821 1.00 60.13 H new ATOM 1117 N ASP A 70 18.732 -36.311 2.249 1.00 20.02 N ATOM 1118 CA ASP A 70 18.108 -35.925 0.989 1.00 33.31 C ATOM 1119 C ASP A 70 18.803 -34.707 0.388 1.00 24.14 C ATOM 1120 O ASP A 70 18.489 -33.569 0.734 1.00 24.10 O ATOM 1121 CB ASP A 70 16.622 -35.626 1.202 1.00 13.03 C ATOM 1122 CG ASP A 70 15.770 -36.879 1.174 1.00 63.42 C ATOM 1123 OD1 ASP A 70 16.305 -37.967 1.476 1.00 60.34 O ATOM 1124 OD2 ASP A 70 14.568 -36.774 0.850 1.00 62.25 O1- ATOM 0 H ASP A 70 18.601 -35.641 3.007 1.00 20.02 H new ATOM 0 HA ASP A 70 18.208 -36.758 0.293 1.00 33.31 H new ATOM 0 HB2 ASP A 70 16.489 -35.121 2.159 1.00 13.03 H new ATOM 0 HB3 ASP A 70 16.278 -34.939 0.429 1.00 13.03 H new ATOM 1129 N GLN A 71 19.749 -34.957 -0.512 1.00 45.13 N ATOM 1130 CA GLN A 71 20.489 -33.881 -1.160 1.00 73.34 C ATOM 1131 C GLN A 71 19.539 -32.847 -1.754 1.00 44.25 C ATOM 1132 O GLN A 71 19.862 -31.662 -1.828 1.00 55.10 O ATOM 1133 CB GLN A 71 21.398 -34.445 -2.253 1.00 71.25 C ATOM 1134 CG GLN A 71 22.354 -35.517 -1.756 1.00 52.44 C ATOM 1135 CD GLN A 71 23.593 -35.640 -2.620 1.00 44.52 C ATOM 1136 OE1 GLN A 71 23.849 -34.797 -3.481 1.00 34.54 O ATOM 1137 NE2 GLN A 71 24.372 -36.691 -2.394 1.00 51.40 N ATOM 0 H GLN A 71 20.021 -35.894 -0.809 1.00 45.13 H new ATOM 0 HA GLN A 71 21.103 -33.390 -0.405 1.00 73.34 H new ATOM 0 HB2 GLN A 71 20.780 -34.861 -3.049 1.00 71.25 H new ATOM 0 HB3 GLN A 71 21.975 -33.630 -2.691 1.00 71.25 H new ATOM 0 HG2 GLN A 71 22.651 -35.288 -0.733 1.00 52.44 H new ATOM 0 HG3 GLN A 71 21.837 -36.476 -1.731 1.00 52.44 H new ATOM 0 HE21 GLN A 71 24.122 -37.365 -1.670 1.00 51.40 H new ATOM 0 HE22 GLN A 71 25.221 -36.824 -2.944 1.00 51.40 H new ATOM 1146 N ARG A 72 18.365 -33.304 -2.178 1.00 4.45 N ATOM 1147 CA ARG A 72 17.368 -32.420 -2.769 1.00 31.14 C ATOM 1148 C ARG A 72 16.881 -31.393 -1.750 1.00 3.13 C ATOM 1149 O ARG A 72 16.787 -30.202 -2.049 1.00 25.45 O ATOM 1150 CB ARG A 72 16.184 -33.230 -3.298 1.00 14.31 C ATOM 1151 CG ARG A 72 16.082 -33.241 -4.814 1.00 43.23 C ATOM 1152 CD ARG A 72 16.006 -31.831 -5.376 1.00 44.31 C ATOM 1153 NE ARG A 72 15.185 -31.766 -6.583 1.00 31.03 N ATOM 1154 CZ ARG A 72 13.863 -31.903 -6.579 1.00 1.35 C ATOM 1155 NH1 ARG A 72 13.218 -32.112 -5.440 1.00 20.14 N1+ ATOM 1156 NH2 ARG A 72 13.185 -31.832 -7.718 1.00 72.31 N ATOM 0 H ARG A 72 18.081 -34.282 -2.123 1.00 4.45 H new ATOM 0 HA ARG A 72 17.836 -31.891 -3.599 1.00 31.14 H new ATOM 0 HB2 ARG A 72 16.268 -34.256 -2.941 1.00 14.31 H new ATOM 0 HB3 ARG A 72 15.262 -32.823 -2.883 1.00 14.31 H new ATOM 0 HG2 ARG A 72 16.946 -33.756 -5.234 1.00 43.23 H new ATOM 0 HG3 ARG A 72 15.198 -33.803 -5.116 1.00 43.23 H new ATOM 0 HD2 ARG A 72 15.594 -31.162 -4.621 1.00 44.31 H new ATOM 0 HD3 ARG A 72 17.012 -31.476 -5.602 1.00 44.31 H new ATOM 0 HE ARG A 72 15.651 -31.607 -7.476 1.00 31.03 H new ATOM 0 HH11 ARG A 72 13.736 -32.168 -4.563 1.00 20.14 H new ATOM 0 HH12 ARG A 72 12.203 -32.217 -5.440 1.00 20.14 H new ATOM 0 HH21 ARG A 72 13.679 -31.672 -8.596 1.00 72.31 H new ATOM 0 HH22 ARG A 72 12.170 -31.937 -7.715 1.00 72.31 H new ATOM 1170 N LEU A 73 16.572 -31.863 -0.546 1.00 3.20 N ATOM 1171 CA LEU A 73 16.094 -30.987 0.518 1.00 51.45 C ATOM 1172 C LEU A 73 16.141 -31.693 1.868 1.00 42.22 C ATOM 1173 O LEU A 73 15.548 -32.758 2.043 1.00 32.31 O ATOM 1174 CB LEU A 73 14.666 -30.523 0.221 1.00 24.54 C ATOM 1175 CG LEU A 73 13.592 -31.611 0.236 1.00 44.12 C ATOM 1176 CD1 LEU A 73 12.702 -31.463 1.461 1.00 70.54 C ATOM 1177 CD2 LEU A 73 12.761 -31.558 -1.038 1.00 14.14 C ATOM 0 H LEU A 73 16.644 -32.846 -0.282 1.00 3.20 H new ATOM 0 HA LEU A 73 16.750 -30.118 0.561 1.00 51.45 H new ATOM 0 HB2 LEU A 73 14.393 -29.761 0.951 1.00 24.54 H new ATOM 0 HB3 LEU A 73 14.657 -30.044 -0.758 1.00 24.54 H new ATOM 0 HG LEU A 73 14.085 -32.582 0.284 1.00 44.12 H new ATOM 0 HD11 LEU A 73 11.943 -32.245 1.456 1.00 70.54 H new ATOM 0 HD12 LEU A 73 13.307 -31.550 2.363 1.00 70.54 H new ATOM 0 HD13 LEU A 73 12.217 -30.487 1.443 1.00 70.54 H new ATOM 0 HD21 LEU A 73 12.002 -32.339 -1.010 1.00 14.14 H new ATOM 0 HD22 LEU A 73 12.277 -30.584 -1.117 1.00 14.14 H new ATOM 0 HD23 LEU A 73 13.408 -31.712 -1.901 1.00 14.14 H new ATOM 1189 N GLU A 74 16.848 -31.093 2.821 1.00 52.14 N ATOM 1190 CA GLU A 74 16.970 -31.666 4.156 1.00 53.33 C ATOM 1191 C GLU A 74 17.473 -30.624 5.151 1.00 31.14 C ATOM 1192 O GLU A 74 18.100 -29.636 4.767 1.00 54.40 O ATOM 1193 CB GLU A 74 17.919 -32.866 4.135 1.00 34.50 C ATOM 1194 CG GLU A 74 17.591 -33.920 5.180 1.00 5.55 C ATOM 1195 CD GLU A 74 16.684 -35.011 4.644 1.00 50.11 C ATOM 1196 OE1 GLU A 74 15.560 -34.686 4.205 1.00 53.23 O ATOM 1197 OE2 GLU A 74 17.098 -36.188 4.663 1.00 54.12 O1- ATOM 0 H GLU A 74 17.344 -30.211 2.693 1.00 52.14 H new ATOM 0 HA GLU A 74 15.981 -31.999 4.473 1.00 53.33 H new ATOM 0 HB2 GLU A 74 17.889 -33.325 3.147 1.00 34.50 H new ATOM 0 HB3 GLU A 74 18.939 -32.515 4.293 1.00 34.50 H new ATOM 0 HG2 GLU A 74 18.517 -34.368 5.542 1.00 5.55 H new ATOM 0 HG3 GLU A 74 17.112 -33.442 6.035 1.00 5.55 H new ATOM 1204 N ILE A 75 17.191 -30.851 6.429 1.00 62.14 N ATOM 1205 CA ILE A 75 17.614 -29.933 7.479 1.00 30.31 C ATOM 1206 C ILE A 75 18.071 -30.690 8.722 1.00 75.04 C ATOM 1207 O ILE A 75 17.347 -31.536 9.248 1.00 14.04 O ATOM 1208 CB ILE A 75 16.482 -28.965 7.871 1.00 50.21 C ATOM 1209 CG1 ILE A 75 16.919 -28.080 9.040 1.00 4.55 C ATOM 1210 CG2 ILE A 75 15.222 -29.740 8.228 1.00 62.41 C ATOM 1211 CD1 ILE A 75 16.595 -26.616 8.844 1.00 31.35 C ATOM 0 H ILE A 75 16.671 -31.663 6.763 1.00 62.14 H new ATOM 0 HA ILE A 75 18.450 -29.360 7.077 1.00 30.31 H new ATOM 0 HB ILE A 75 16.261 -28.324 7.018 1.00 50.21 H new ATOM 0 HG12 ILE A 75 16.436 -28.432 9.952 1.00 4.55 H new ATOM 0 HG13 ILE A 75 17.994 -28.189 9.186 1.00 4.55 H new ATOM 0 HG21 ILE A 75 14.431 -29.042 8.503 1.00 62.41 H new ATOM 0 HG22 ILE A 75 14.903 -30.331 7.369 1.00 62.41 H new ATOM 0 HG23 ILE A 75 15.429 -30.403 9.068 1.00 62.41 H new ATOM 0 HD11 ILE A 75 16.933 -26.049 9.711 1.00 31.35 H new ATOM 0 HD12 ILE A 75 17.100 -26.248 7.951 1.00 31.35 H new ATOM 0 HD13 ILE A 75 15.518 -26.494 8.728 1.00 31.35 H new ATOM 1223 N SER A 76 19.277 -30.382 9.185 1.00 72.03 N ATOM 1224 CA SER A 76 19.833 -31.035 10.365 1.00 2.32 C ATOM 1225 C SER A 76 18.996 -30.724 11.603 1.00 11.44 C ATOM 1226 O SER A 76 18.560 -29.590 11.802 1.00 13.53 O ATOM 1227 CB SER A 76 21.279 -30.588 10.588 1.00 63.42 C ATOM 1228 OG SER A 76 22.179 -31.670 10.419 1.00 63.00 O ATOM 0 H SER A 76 19.889 -29.684 8.762 1.00 72.03 H new ATOM 0 HA SER A 76 19.815 -32.112 10.196 1.00 2.32 H new ATOM 0 HB2 SER A 76 21.529 -29.791 9.888 1.00 63.42 H new ATOM 0 HB3 SER A 76 21.385 -30.176 11.592 1.00 63.42 H new ATOM 0 HG SER A 76 23.097 -31.358 10.565 1.00 63.00 H new ATOM 1234 N ILE A 77 18.776 -31.741 12.430 1.00 32.21 N ATOM 1235 CA ILE A 77 17.993 -31.577 13.648 1.00 42.24 C ATOM 1236 C ILE A 77 18.494 -30.394 14.469 1.00 3.30 C ATOM 1237 O ILE A 77 17.705 -29.664 15.068 1.00 62.34 O ATOM 1238 CB ILE A 77 18.037 -32.846 14.520 1.00 2.05 C ATOM 1239 CG1 ILE A 77 17.197 -32.653 15.784 1.00 61.14 C ATOM 1240 CG2 ILE A 77 19.473 -33.193 14.880 1.00 44.33 C ATOM 1241 CD1 ILE A 77 15.724 -32.454 15.506 1.00 2.10 C ATOM 0 H ILE A 77 19.129 -32.686 12.279 1.00 32.21 H new ATOM 0 HA ILE A 77 16.964 -31.392 13.339 1.00 42.24 H new ATOM 0 HB ILE A 77 17.616 -33.674 13.950 1.00 2.05 H new ATOM 0 HG12 ILE A 77 17.322 -33.522 16.430 1.00 61.14 H new ATOM 0 HG13 ILE A 77 17.575 -31.790 16.333 1.00 61.14 H new ATOM 0 HG21 ILE A 77 19.487 -34.092 15.496 1.00 44.33 H new ATOM 0 HG22 ILE A 77 20.044 -33.369 13.969 1.00 44.33 H new ATOM 0 HG23 ILE A 77 19.919 -32.367 15.434 1.00 44.33 H new ATOM 0 HD11 ILE A 77 15.190 -32.324 16.447 1.00 2.10 H new ATOM 0 HD12 ILE A 77 15.587 -31.568 14.886 1.00 2.10 H new ATOM 0 HD13 ILE A 77 15.331 -33.327 14.984 1.00 2.10 H new ATOM 1253 N GLU A 78 19.810 -30.209 14.489 1.00 30.11 N ATOM 1254 CA GLU A 78 20.416 -29.112 15.236 1.00 0.34 C ATOM 1255 C GLU A 78 20.158 -27.776 14.545 1.00 42.21 C ATOM 1256 O GLU A 78 20.010 -26.746 15.200 1.00 45.21 O ATOM 1257 CB GLU A 78 21.921 -29.338 15.387 1.00 12.10 C ATOM 1258 CG GLU A 78 22.698 -29.151 14.093 1.00 52.02 C ATOM 1259 CD GLU A 78 23.871 -30.104 13.975 1.00 3.31 C ATOM 1260 OE1 GLU A 78 23.639 -31.298 13.692 1.00 41.43 O1- ATOM 1261 OE2 GLU A 78 25.021 -29.656 14.165 1.00 44.14 O ATOM 0 H GLU A 78 20.477 -30.804 13.997 1.00 30.11 H new ATOM 0 HA GLU A 78 19.959 -29.084 16.225 1.00 0.34 H new ATOM 0 HB2 GLU A 78 22.310 -28.649 16.137 1.00 12.10 H new ATOM 0 HB3 GLU A 78 22.093 -30.347 15.761 1.00 12.10 H new ATOM 0 HG2 GLU A 78 22.028 -29.299 13.246 1.00 52.02 H new ATOM 0 HG3 GLU A 78 23.061 -28.125 14.037 1.00 52.02 H new ATOM 1268 N GLU A 79 20.108 -27.804 13.216 1.00 34.12 N ATOM 1269 CA GLU A 79 19.869 -26.594 12.436 1.00 41.22 C ATOM 1270 C GLU A 79 18.496 -26.006 12.751 1.00 73.11 C ATOM 1271 O GLU A 79 18.371 -24.819 13.048 1.00 3.25 O ATOM 1272 CB GLU A 79 19.977 -26.896 10.941 1.00 40.51 C ATOM 1273 CG GLU A 79 19.924 -25.656 10.064 1.00 71.40 C ATOM 1274 CD GLU A 79 20.101 -25.974 8.592 1.00 23.32 C ATOM 1275 OE1 GLU A 79 21.154 -26.539 8.229 1.00 73.13 O1- ATOM 1276 OE2 GLU A 79 19.185 -25.658 7.803 1.00 25.22 O ATOM 0 H GLU A 79 20.229 -28.649 12.658 1.00 34.12 H new ATOM 0 HA GLU A 79 20.629 -25.861 12.707 1.00 41.22 H new ATOM 0 HB2 GLU A 79 20.911 -27.424 10.752 1.00 40.51 H new ATOM 0 HB3 GLU A 79 19.168 -27.568 10.655 1.00 40.51 H new ATOM 0 HG2 GLU A 79 18.968 -25.153 10.211 1.00 71.40 H new ATOM 0 HG3 GLU A 79 20.702 -24.960 10.378 1.00 71.40 H new ATOM 1283 N ALA A 80 17.469 -26.847 12.681 1.00 23.40 N ATOM 1284 CA ALA A 80 16.106 -26.412 12.959 1.00 41.12 C ATOM 1285 C ALA A 80 15.993 -25.823 14.361 1.00 13.05 C ATOM 1286 O ALA A 80 15.163 -24.949 14.611 1.00 13.31 O ATOM 1287 CB ALA A 80 15.137 -27.573 12.792 1.00 63.34 C ATOM 0 H ALA A 80 17.555 -27.833 12.434 1.00 23.40 H new ATOM 0 HA ALA A 80 15.847 -25.631 12.244 1.00 41.12 H new ATOM 0 HB1 ALA A 80 14.123 -27.234 13.003 1.00 63.34 H new ATOM 0 HB2 ALA A 80 15.190 -27.947 11.769 1.00 63.34 H new ATOM 0 HB3 ALA A 80 15.403 -28.372 13.484 1.00 63.34 H new ATOM 1293 N GLN A 81 16.831 -26.308 15.272 1.00 53.33 N ATOM 1294 CA GLN A 81 16.823 -25.830 16.649 1.00 55.10 C ATOM 1295 C GLN A 81 17.298 -24.383 16.725 1.00 65.05 C ATOM 1296 O GLN A 81 16.945 -23.651 17.650 1.00 13.14 O ATOM 1297 CB GLN A 81 17.708 -26.717 17.525 1.00 55.14 C ATOM 1298 CG GLN A 81 17.297 -28.180 17.521 1.00 15.04 C ATOM 1299 CD GLN A 81 16.562 -28.582 18.785 1.00 74.24 C ATOM 1300 OE1 GLN A 81 16.829 -28.058 19.866 1.00 60.45 O ATOM 1301 NE2 GLN A 81 15.627 -29.518 18.654 1.00 12.11 N ATOM 0 H GLN A 81 17.524 -27.032 15.081 1.00 53.33 H new ATOM 0 HA GLN A 81 15.798 -25.877 17.017 1.00 55.10 H new ATOM 0 HB2 GLN A 81 18.740 -26.637 17.183 1.00 55.14 H new ATOM 0 HB3 GLN A 81 17.682 -26.344 18.549 1.00 55.14 H new ATOM 0 HG2 GLN A 81 16.660 -28.372 16.658 1.00 15.04 H new ATOM 0 HG3 GLN A 81 18.184 -28.803 17.407 1.00 15.04 H new ATOM 0 HE21 GLN A 81 15.438 -29.926 17.738 1.00 12.11 H new ATOM 0 HE22 GLN A 81 15.098 -29.828 19.469 1.00 12.11 H new ATOM 1310 N GLY A 82 18.103 -23.977 15.748 1.00 10.33 N ATOM 1311 CA GLY A 82 18.614 -22.618 15.723 1.00 0.41 C ATOM 1312 C GLY A 82 17.507 -21.583 15.717 1.00 3.45 C ATOM 1313 O GLY A 82 17.661 -20.497 16.279 1.00 20.11 O ATOM 0 H GLY A 82 18.411 -24.565 14.973 1.00 10.33 H new ATOM 0 HA2 GLY A 82 19.253 -22.457 16.591 1.00 0.41 H new ATOM 0 HA3 GLY A 82 19.238 -22.484 14.839 1.00 0.41 H new ATOM 1317 N ILE A 83 16.391 -21.916 15.080 1.00 31.40 N ATOM 1318 CA ILE A 83 15.255 -21.005 15.002 1.00 1.12 C ATOM 1319 C ILE A 83 14.078 -21.523 15.822 1.00 73.35 C ATOM 1320 O ILE A 83 13.221 -20.752 16.254 1.00 13.12 O ATOM 1321 CB ILE A 83 14.799 -20.797 13.546 1.00 1.41 C ATOM 1322 CG1 ILE A 83 14.234 -22.099 12.974 1.00 4.34 C ATOM 1323 CG2 ILE A 83 15.956 -20.296 12.695 1.00 22.22 C ATOM 1324 CD1 ILE A 83 13.756 -21.973 11.545 1.00 2.43 C ATOM 0 H ILE A 83 16.248 -22.810 14.610 1.00 31.40 H new ATOM 0 HA ILE A 83 15.587 -20.050 15.410 1.00 1.12 H new ATOM 0 HB ILE A 83 14.011 -20.044 13.532 1.00 1.41 H new ATOM 0 HG12 ILE A 83 15.001 -22.872 13.025 1.00 4.34 H new ATOM 0 HG13 ILE A 83 13.404 -22.431 13.598 1.00 4.34 H new ATOM 0 HG21 ILE A 83 15.618 -20.154 11.669 1.00 22.22 H new ATOM 0 HG22 ILE A 83 16.316 -19.347 13.093 1.00 22.22 H new ATOM 0 HG23 ILE A 83 16.764 -21.027 12.713 1.00 22.22 H new ATOM 0 HD11 ILE A 83 13.369 -22.933 11.205 1.00 2.43 H new ATOM 0 HD12 ILE A 83 12.967 -21.223 11.490 1.00 2.43 H new ATOM 0 HD13 ILE A 83 14.588 -21.671 10.908 1.00 2.43 H new ATOM 1336 N HIS A 84 14.044 -22.835 16.035 1.00 63.03 N ATOM 1337 CA HIS A 84 12.974 -23.457 16.806 1.00 54.51 C ATOM 1338 C HIS A 84 13.419 -24.804 17.367 1.00 12.33 C ATOM 1339 O HIS A 84 13.372 -25.831 16.689 1.00 53.42 O ATOM 1340 CB HIS A 84 11.730 -23.638 15.938 1.00 32.52 C ATOM 1341 CG HIS A 84 10.453 -23.287 16.638 1.00 13.05 C ATOM 1342 ND1 HIS A 84 10.225 -23.561 17.970 1.00 42.33 N ATOM 1343 CD2 HIS A 84 9.333 -22.678 16.183 1.00 40.41 C ATOM 1344 CE1 HIS A 84 9.019 -23.137 18.304 1.00 4.32 C ATOM 1345 NE2 HIS A 84 8.457 -22.597 17.238 1.00 13.00 N ATOM 0 H HIS A 84 14.745 -23.487 15.684 1.00 63.03 H new ATOM 0 HA HIS A 84 12.732 -22.799 17.641 1.00 54.51 H new ATOM 0 HB2 HIS A 84 11.827 -23.020 15.046 1.00 32.52 H new ATOM 0 HB3 HIS A 84 11.678 -24.674 15.604 1.00 32.52 H new ATOM 0 HD2 HIS A 84 9.160 -22.322 15.178 1.00 40.41 H new ATOM 0 HE1 HIS A 84 8.569 -23.218 19.283 1.00 4.32 H new ATOM 0 HE2 HIS A 84 7.524 -22.186 17.204 1.00 13.00 H new ATOM 1353 N PRO A 85 13.864 -24.803 18.632 1.00 51.33 N ATOM 1354 CA PRO A 85 14.328 -26.017 19.310 1.00 21.45 C ATOM 1355 C PRO A 85 13.187 -26.984 19.609 1.00 1.12 C ATOM 1356 O PRO A 85 13.417 -28.110 20.051 1.00 55.23 O ATOM 1357 CB PRO A 85 14.934 -25.487 20.612 1.00 54.51 C ATOM 1358 CG PRO A 85 14.236 -24.194 20.856 1.00 23.33 C ATOM 1359 CD PRO A 85 13.949 -23.615 19.498 1.00 35.21 C ATOM 0 HA PRO A 85 15.029 -26.584 18.698 1.00 21.45 H new ATOM 0 HB2 PRO A 85 14.775 -26.184 21.435 1.00 54.51 H new ATOM 0 HB3 PRO A 85 16.011 -25.344 20.518 1.00 54.51 H new ATOM 0 HG2 PRO A 85 13.314 -24.348 21.417 1.00 23.33 H new ATOM 0 HG3 PRO A 85 14.858 -23.520 21.444 1.00 23.33 H new ATOM 0 HD2 PRO A 85 13.019 -23.046 19.492 1.00 35.21 H new ATOM 0 HD3 PRO A 85 14.739 -22.938 19.175 1.00 35.21 H new ATOM 1367 N GLU A 86 11.959 -26.538 19.364 1.00 11.24 N ATOM 1368 CA GLU A 86 10.784 -27.367 19.608 1.00 2.30 C ATOM 1369 C GLU A 86 10.650 -28.448 18.540 1.00 54.33 C ATOM 1370 O GLU A 86 9.937 -29.435 18.727 1.00 72.01 O ATOM 1371 CB GLU A 86 9.521 -26.503 19.636 1.00 32.11 C ATOM 1372 CG GLU A 86 9.373 -25.682 20.906 1.00 10.02 C ATOM 1373 CD GLU A 86 7.962 -25.169 21.108 1.00 32.22 C ATOM 1374 OE1 GLU A 86 7.190 -25.154 20.126 1.00 51.41 O1- ATOM 1375 OE2 GLU A 86 7.627 -24.781 22.248 1.00 32.50 O ATOM 0 H GLU A 86 11.752 -25.609 18.997 1.00 11.24 H new ATOM 0 HA GLU A 86 10.907 -27.851 20.577 1.00 2.30 H new ATOM 0 HB2 GLU A 86 9.532 -25.831 18.778 1.00 32.11 H new ATOM 0 HB3 GLU A 86 8.648 -27.147 19.526 1.00 32.11 H new ATOM 0 HG2 GLU A 86 9.660 -26.291 21.763 1.00 10.02 H new ATOM 0 HG3 GLU A 86 10.061 -24.837 20.870 1.00 10.02 H new ATOM 1382 N TYR A 87 11.339 -28.256 17.421 1.00 13.33 N ATOM 1383 CA TYR A 87 11.295 -29.213 16.322 1.00 62.40 C ATOM 1384 C TYR A 87 11.708 -30.603 16.793 1.00 30.01 C ATOM 1385 O TYR A 87 12.045 -30.800 17.960 1.00 64.21 O ATOM 1386 CB TYR A 87 12.208 -28.755 15.183 1.00 41.24 C ATOM 1387 CG TYR A 87 11.605 -27.668 14.323 1.00 51.15 C ATOM 1388 CD1 TYR A 87 10.298 -27.763 13.863 1.00 4.14 C ATOM 1389 CD2 TYR A 87 12.343 -26.544 13.971 1.00 24.43 C ATOM 1390 CE1 TYR A 87 9.744 -26.773 13.075 1.00 10.23 C ATOM 1391 CE2 TYR A 87 11.797 -25.548 13.187 1.00 41.22 C ATOM 1392 CZ TYR A 87 10.496 -25.667 12.740 1.00 73.33 C ATOM 1393 OH TYR A 87 9.947 -24.677 11.957 1.00 33.41 O ATOM 0 H TYR A 87 11.935 -27.446 17.251 1.00 13.33 H new ATOM 0 HA TYR A 87 10.269 -29.263 15.958 1.00 62.40 H new ATOM 0 HB2 TYR A 87 13.147 -28.395 15.604 1.00 41.24 H new ATOM 0 HB3 TYR A 87 12.449 -29.612 14.554 1.00 41.24 H new ATOM 0 HD1 TYR A 87 9.704 -28.626 14.126 1.00 4.14 H new ATOM 0 HD2 TYR A 87 13.362 -26.448 14.317 1.00 24.43 H new ATOM 0 HE1 TYR A 87 8.727 -26.865 12.723 1.00 10.23 H new ATOM 0 HE2 TYR A 87 12.384 -24.680 12.925 1.00 41.22 H new ATOM 0 HH TYR A 87 10.352 -23.815 12.188 1.00 33.41 H new ATOM 1403 N MET A 88 11.680 -31.565 15.876 1.00 30.33 N ATOM 1404 CA MET A 88 12.053 -32.937 16.196 1.00 15.53 C ATOM 1405 C MET A 88 12.295 -33.746 14.925 1.00 10.42 C ATOM 1406 O MET A 88 11.629 -33.541 13.911 1.00 24.25 O ATOM 1407 CB MET A 88 10.962 -33.602 17.038 1.00 14.22 C ATOM 1408 CG MET A 88 11.385 -34.932 17.642 1.00 4.24 C ATOM 1409 SD MET A 88 12.451 -34.733 19.082 1.00 21.05 S ATOM 1410 CE MET A 88 14.061 -35.022 18.354 1.00 34.51 C ATOM 0 H MET A 88 11.403 -31.419 14.905 1.00 30.33 H new ATOM 0 HA MET A 88 12.979 -32.910 16.770 1.00 15.53 H new ATOM 0 HB2 MET A 88 10.670 -32.924 17.840 1.00 14.22 H new ATOM 0 HB3 MET A 88 10.080 -33.759 16.417 1.00 14.22 H new ATOM 0 HG2 MET A 88 10.497 -35.496 17.927 1.00 4.24 H new ATOM 0 HG3 MET A 88 11.907 -35.520 16.887 1.00 4.24 H new ATOM 0 HE1 MET A 88 14.764 -35.320 19.132 1.00 34.51 H new ATOM 0 HE2 MET A 88 13.987 -35.814 17.609 1.00 34.51 H new ATOM 0 HE3 MET A 88 14.414 -34.108 17.877 1.00 34.51 H new ATOM 1420 N VAL A 89 13.252 -34.666 14.988 1.00 2.14 N ATOM 1421 CA VAL A 89 13.581 -35.506 13.842 1.00 32.25 C ATOM 1422 C VAL A 89 12.334 -36.172 13.273 1.00 31.51 C ATOM 1423 O VAL A 89 11.629 -36.896 13.976 1.00 22.02 O ATOM 1424 CB VAL A 89 14.606 -36.592 14.219 1.00 43.25 C ATOM 1425 CG1 VAL A 89 14.971 -37.427 13.001 1.00 5.33 C ATOM 1426 CG2 VAL A 89 15.846 -35.965 14.837 1.00 64.13 C ATOM 0 H VAL A 89 13.813 -34.849 15.820 1.00 2.14 H new ATOM 0 HA VAL A 89 14.017 -34.854 13.085 1.00 32.25 H new ATOM 0 HB VAL A 89 14.154 -37.251 14.960 1.00 43.25 H new ATOM 0 HG11 VAL A 89 15.696 -38.189 13.286 1.00 5.33 H new ATOM 0 HG12 VAL A 89 14.075 -37.908 12.608 1.00 5.33 H new ATOM 0 HG13 VAL A 89 15.404 -36.783 12.235 1.00 5.33 H new ATOM 0 HG21 VAL A 89 16.559 -36.748 15.097 1.00 64.13 H new ATOM 0 HG22 VAL A 89 16.303 -35.281 14.122 1.00 64.13 H new ATOM 0 HG23 VAL A 89 15.566 -35.416 15.736 1.00 64.13 H new ATOM 1436 N GLY A 90 12.067 -35.923 11.994 1.00 61.31 N ATOM 1437 CA GLY A 90 10.905 -36.507 11.353 1.00 5.34 C ATOM 1438 C GLY A 90 9.891 -35.464 10.929 1.00 73.20 C ATOM 1439 O GLY A 90 8.982 -35.751 10.149 1.00 73.05 O ATOM 0 H GLY A 90 12.635 -35.327 11.392 1.00 61.31 H new ATOM 0 HA2 GLY A 90 11.223 -37.076 10.479 1.00 5.34 H new ATOM 0 HA3 GLY A 90 10.432 -37.212 12.037 1.00 5.34 H new ATOM 1443 N ASP A 91 10.043 -34.250 11.447 1.00 14.12 N ATOM 1444 CA ASP A 91 9.131 -33.159 11.117 1.00 22.15 C ATOM 1445 C ASP A 91 9.688 -32.312 9.977 1.00 32.31 C ATOM 1446 O ASP A 91 10.702 -32.657 9.371 1.00 53.31 O ATOM 1447 CB ASP A 91 8.887 -32.284 12.348 1.00 12.13 C ATOM 1448 CG ASP A 91 7.455 -31.791 12.431 1.00 44.21 C ATOM 1449 OD1 ASP A 91 6.714 -31.952 11.439 1.00 10.52 O1- ATOM 1450 OD2 ASP A 91 7.077 -31.242 13.488 1.00 3.14 O ATOM 0 H ASP A 91 10.788 -33.996 12.096 1.00 14.12 H new ATOM 0 HA ASP A 91 8.184 -33.592 10.794 1.00 22.15 H new ATOM 0 HB2 ASP A 91 9.126 -32.852 13.247 1.00 12.13 H new ATOM 0 HB3 ASP A 91 9.562 -31.429 12.322 1.00 12.13 H new ATOM 1455 N VAL A 92 9.015 -31.202 9.690 1.00 31.51 N ATOM 1456 CA VAL A 92 9.441 -30.306 8.622 1.00 42.33 C ATOM 1457 C VAL A 92 9.571 -28.872 9.126 1.00 75.52 C ATOM 1458 O VAL A 92 8.820 -28.440 10.001 1.00 53.31 O ATOM 1459 CB VAL A 92 8.456 -30.333 7.438 1.00 41.12 C ATOM 1460 CG1 VAL A 92 8.611 -31.622 6.645 1.00 55.14 C ATOM 1461 CG2 VAL A 92 7.026 -30.171 7.931 1.00 61.45 C ATOM 0 H VAL A 92 8.173 -30.902 10.182 1.00 31.51 H new ATOM 0 HA VAL A 92 10.415 -30.660 8.283 1.00 42.33 H new ATOM 0 HB VAL A 92 8.686 -29.497 6.777 1.00 41.12 H new ATOM 0 HG11 VAL A 92 7.907 -31.624 5.813 1.00 55.14 H new ATOM 0 HG12 VAL A 92 9.628 -31.692 6.260 1.00 55.14 H new ATOM 0 HG13 VAL A 92 8.408 -32.475 7.293 1.00 55.14 H new ATOM 0 HG21 VAL A 92 6.344 -30.192 7.081 1.00 61.45 H new ATOM 0 HG22 VAL A 92 6.782 -30.985 8.613 1.00 61.45 H new ATOM 0 HG23 VAL A 92 6.927 -29.219 8.452 1.00 61.45 H new ATOM 1471 N VAL A 93 10.530 -28.139 8.569 1.00 53.22 N ATOM 1472 CA VAL A 93 10.757 -26.754 8.961 1.00 1.40 C ATOM 1473 C VAL A 93 10.669 -25.821 7.759 1.00 13.54 C ATOM 1474 O VAL A 93 11.071 -26.178 6.652 1.00 42.32 O ATOM 1475 CB VAL A 93 12.133 -26.579 9.631 1.00 33.33 C ATOM 1476 CG1 VAL A 93 13.240 -27.083 8.718 1.00 2.00 C ATOM 1477 CG2 VAL A 93 12.363 -25.123 10.006 1.00 1.50 C ATOM 0 H VAL A 93 11.162 -28.482 7.845 1.00 53.22 H new ATOM 0 HA VAL A 93 9.976 -26.496 9.676 1.00 1.40 H new ATOM 0 HB VAL A 93 12.149 -27.173 10.545 1.00 33.33 H new ATOM 0 HG11 VAL A 93 14.204 -26.951 9.208 1.00 2.00 H new ATOM 0 HG12 VAL A 93 13.083 -28.140 8.505 1.00 2.00 H new ATOM 0 HG13 VAL A 93 13.227 -26.519 7.785 1.00 2.00 H new ATOM 0 HG21 VAL A 93 13.340 -25.019 10.478 1.00 1.50 H new ATOM 0 HG22 VAL A 93 12.326 -24.506 9.108 1.00 1.50 H new ATOM 0 HG23 VAL A 93 11.588 -24.799 10.701 1.00 1.50 H new ATOM 1487 N GLU A 94 10.138 -24.623 7.984 1.00 63.33 N ATOM 1488 CA GLU A 94 9.996 -23.638 6.918 1.00 13.04 C ATOM 1489 C GLU A 94 10.892 -22.429 7.171 1.00 14.14 C ATOM 1490 O GLU A 94 10.652 -21.646 8.088 1.00 22.33 O ATOM 1491 CB GLU A 94 8.538 -23.189 6.799 1.00 72.23 C ATOM 1492 CG GLU A 94 7.696 -24.084 5.907 1.00 51.42 C ATOM 1493 CD GLU A 94 6.286 -24.276 6.434 1.00 45.35 C ATOM 1494 OE1 GLU A 94 5.804 -23.389 7.169 1.00 3.23 O ATOM 1495 OE2 GLU A 94 5.667 -25.311 6.112 1.00 11.44 O1- ATOM 0 H GLU A 94 9.799 -24.311 8.894 1.00 63.33 H new ATOM 0 HA GLU A 94 10.302 -24.107 5.983 1.00 13.04 H new ATOM 0 HB2 GLU A 94 8.093 -23.160 7.794 1.00 72.23 H new ATOM 0 HB3 GLU A 94 8.511 -22.172 6.408 1.00 72.23 H new ATOM 0 HG2 GLU A 94 7.650 -23.653 4.907 1.00 51.42 H new ATOM 0 HG3 GLU A 94 8.180 -25.056 5.814 1.00 51.42 H new ATOM 1502 N ILE A 95 11.928 -22.287 6.349 1.00 43.41 N ATOM 1503 CA ILE A 95 12.861 -21.174 6.484 1.00 24.11 C ATOM 1504 C ILE A 95 12.691 -20.176 5.344 1.00 51.42 C ATOM 1505 O ILE A 95 12.511 -20.562 4.189 1.00 43.44 O ATOM 1506 CB ILE A 95 14.320 -21.665 6.509 1.00 24.30 C ATOM 1507 CG1 ILE A 95 14.469 -22.842 7.474 1.00 21.22 C ATOM 1508 CG2 ILE A 95 15.253 -20.529 6.903 1.00 24.14 C ATOM 1509 CD1 ILE A 95 14.264 -24.190 6.819 1.00 4.40 C ATOM 0 H ILE A 95 12.142 -22.927 5.584 1.00 43.41 H new ATOM 0 HA ILE A 95 12.635 -20.683 7.431 1.00 24.11 H new ATOM 0 HB ILE A 95 14.591 -22.003 5.509 1.00 24.30 H new ATOM 0 HG12 ILE A 95 15.463 -22.812 7.921 1.00 21.22 H new ATOM 0 HG13 ILE A 95 13.751 -22.729 8.286 1.00 21.22 H new ATOM 0 HG21 ILE A 95 16.281 -20.891 6.917 1.00 24.14 H new ATOM 0 HG22 ILE A 95 15.163 -19.717 6.181 1.00 24.14 H new ATOM 0 HG23 ILE A 95 14.984 -20.164 7.894 1.00 24.14 H new ATOM 0 HD11 ILE A 95 14.385 -24.978 7.562 1.00 4.40 H new ATOM 0 HD12 ILE A 95 13.261 -24.240 6.396 1.00 4.40 H new ATOM 0 HD13 ILE A 95 14.999 -24.324 6.025 1.00 4.40 H new ATOM 1521 N GLU A 96 12.753 -18.890 5.677 1.00 15.41 N ATOM 1522 CA GLU A 96 12.607 -17.835 4.681 1.00 4.20 C ATOM 1523 C GLU A 96 13.606 -18.022 3.541 1.00 3.25 C ATOM 1524 O GLU A 96 14.816 -18.067 3.762 1.00 21.32 O ATOM 1525 CB GLU A 96 12.805 -16.462 5.327 1.00 33.11 C ATOM 1526 CG GLU A 96 14.158 -16.293 5.995 1.00 44.11 C ATOM 1527 CD GLU A 96 14.132 -15.271 7.115 1.00 24.12 C ATOM 1528 OE1 GLU A 96 13.883 -14.082 6.826 1.00 23.44 O1- ATOM 1529 OE2 GLU A 96 14.362 -15.660 8.279 1.00 64.34 O ATOM 0 H GLU A 96 12.903 -18.554 6.628 1.00 15.41 H new ATOM 0 HA GLU A 96 11.599 -17.894 4.272 1.00 4.20 H new ATOM 0 HB2 GLU A 96 12.686 -15.691 4.566 1.00 33.11 H new ATOM 0 HB3 GLU A 96 12.021 -16.302 6.067 1.00 33.11 H new ATOM 0 HG2 GLU A 96 14.485 -17.254 6.392 1.00 44.11 H new ATOM 0 HG3 GLU A 96 14.892 -15.990 5.249 1.00 44.11 H new ATOM 1536 N VAL A 97 13.089 -18.130 2.322 1.00 52.41 N ATOM 1537 CA VAL A 97 13.933 -18.312 1.146 1.00 41.24 C ATOM 1538 C VAL A 97 13.512 -17.378 0.017 1.00 64.02 C ATOM 1539 O VAL A 97 13.952 -17.526 -1.123 1.00 40.42 O ATOM 1540 CB VAL A 97 13.887 -19.766 0.641 1.00 14.31 C ATOM 1541 CG1 VAL A 97 12.561 -20.049 -0.049 1.00 41.13 C ATOM 1542 CG2 VAL A 97 15.053 -20.040 -0.295 1.00 14.33 C ATOM 0 H VAL A 97 12.089 -18.095 2.122 1.00 52.41 H new ATOM 0 HA VAL A 97 14.953 -18.074 1.449 1.00 41.24 H new ATOM 0 HB VAL A 97 13.973 -20.434 1.498 1.00 14.31 H new ATOM 0 HG11 VAL A 97 12.546 -21.081 -0.399 1.00 41.13 H new ATOM 0 HG12 VAL A 97 11.744 -19.893 0.655 1.00 41.13 H new ATOM 0 HG13 VAL A 97 12.442 -19.376 -0.898 1.00 41.13 H new ATOM 0 HG21 VAL A 97 15.006 -21.072 -0.643 1.00 14.33 H new ATOM 0 HG22 VAL A 97 14.999 -19.366 -1.150 1.00 14.33 H new ATOM 0 HG23 VAL A 97 15.991 -19.879 0.236 1.00 14.33 H new ATOM 1552 N THR A 98 12.654 -16.415 0.342 1.00 74.11 N ATOM 1553 CA THR A 98 12.172 -15.457 -0.645 1.00 21.42 C ATOM 1554 C THR A 98 13.227 -14.400 -0.946 1.00 23.55 C ATOM 1555 O THR A 98 13.958 -13.948 -0.064 1.00 72.05 O ATOM 1556 CB THR A 98 10.883 -14.760 -0.168 1.00 64.13 C ATOM 1557 OG1 THR A 98 10.509 -13.736 -1.095 1.00 65.23 O ATOM 1558 CG2 THR A 98 11.077 -14.154 1.214 1.00 33.24 C ATOM 0 H THR A 98 12.279 -16.278 1.281 1.00 74.11 H new ATOM 0 HA THR A 98 11.957 -16.020 -1.553 1.00 21.42 H new ATOM 0 HB THR A 98 10.090 -15.506 -0.113 1.00 64.13 H new ATOM 0 HG1 THR A 98 9.742 -14.039 -1.625 1.00 65.23 H new ATOM 0 HG21 THR A 98 10.155 -13.667 1.531 1.00 33.24 H new ATOM 0 HG22 THR A 98 11.334 -14.941 1.923 1.00 33.24 H new ATOM 0 HG23 THR A 98 11.881 -13.419 1.179 1.00 33.24 H new ATOM 1566 N PRO A 99 13.310 -13.993 -2.222 1.00 61.42 N ATOM 1567 CA PRO A 99 14.273 -12.981 -2.668 1.00 22.35 C ATOM 1568 C PRO A 99 13.938 -11.589 -2.143 1.00 21.13 C ATOM 1569 O PRO A 99 12.795 -11.311 -1.779 1.00 4.33 O ATOM 1570 CB PRO A 99 14.148 -13.021 -4.194 1.00 33.45 C ATOM 1571 CG PRO A 99 12.771 -13.531 -4.447 1.00 23.31 C ATOM 1572 CD PRO A 99 12.470 -14.487 -3.325 1.00 75.43 C ATOM 0 HA PRO A 99 15.279 -13.187 -2.303 1.00 22.35 H new ATOM 0 HB2 PRO A 99 14.290 -12.032 -4.629 1.00 33.45 H new ATOM 0 HB3 PRO A 99 14.900 -13.675 -4.636 1.00 33.45 H new ATOM 0 HG2 PRO A 99 12.050 -12.714 -4.467 1.00 23.31 H new ATOM 0 HG3 PRO A 99 12.712 -14.032 -5.413 1.00 23.31 H new ATOM 0 HD2 PRO A 99 11.413 -14.476 -3.061 1.00 75.43 H new ATOM 0 HD3 PRO A 99 12.721 -15.513 -3.593 1.00 75.43 H new ATOM 1580 N LYS A 100 14.939 -10.718 -2.107 1.00 1.34 N ATOM 1581 CA LYS A 100 14.752 -9.354 -1.628 1.00 31.23 C ATOM 1582 C LYS A 100 14.030 -8.506 -2.671 1.00 11.53 C ATOM 1583 O LYS A 100 13.680 -7.354 -2.413 1.00 43.02 O ATOM 1584 CB LYS A 100 16.102 -8.721 -1.286 1.00 14.02 C ATOM 1585 CG LYS A 100 16.010 -7.611 -0.254 1.00 13.24 C ATOM 1586 CD LYS A 100 17.384 -7.087 0.126 1.00 51.30 C ATOM 1587 CE LYS A 100 18.083 -8.014 1.109 1.00 60.13 C ATOM 1588 NZ LYS A 100 19.144 -7.308 1.880 1.00 62.04 N1+ ATOM 0 H LYS A 100 15.891 -10.933 -2.405 1.00 1.34 H new ATOM 0 HA LYS A 100 14.138 -9.393 -0.728 1.00 31.23 H new ATOM 0 HB2 LYS A 100 16.773 -9.496 -0.915 1.00 14.02 H new ATOM 0 HB3 LYS A 100 16.548 -8.322 -2.197 1.00 14.02 H new ATOM 0 HG2 LYS A 100 15.405 -6.795 -0.649 1.00 13.24 H new ATOM 0 HG3 LYS A 100 15.502 -7.982 0.636 1.00 13.24 H new ATOM 0 HD2 LYS A 100 17.994 -6.979 -0.771 1.00 51.30 H new ATOM 0 HD3 LYS A 100 17.287 -6.095 0.566 1.00 51.30 H new ATOM 0 HE2 LYS A 100 17.350 -8.431 1.799 1.00 60.13 H new ATOM 0 HE3 LYS A 100 18.524 -8.851 0.568 1.00 60.13 H new ATOM 0 HZ1 LYS A 100 19.596 -7.974 2.538 1.00 62.04 H new ATOM 0 HZ2 LYS A 100 19.858 -6.932 1.224 1.00 62.04 H new ATOM 0 HZ3 LYS A 100 18.720 -6.525 2.417 1.00 62.04 H new ATOM 1602 N ASP A 101 13.810 -9.083 -3.847 1.00 23.32 N ATOM 1603 CA ASP A 101 13.127 -8.381 -4.927 1.00 41.13 C ATOM 1604 C ASP A 101 11.725 -8.944 -5.140 1.00 43.12 C ATOM 1605 O ASP A 101 11.031 -8.565 -6.083 1.00 15.43 O ATOM 1606 CB ASP A 101 13.935 -8.485 -6.221 1.00 64.01 C ATOM 1607 CG ASP A 101 13.552 -7.419 -7.230 1.00 62.02 C ATOM 1608 OD1 ASP A 101 13.183 -6.306 -6.803 1.00 12.30 O ATOM 1609 OD2 ASP A 101 13.623 -7.699 -8.445 1.00 24.30 O1- ATOM 0 H ASP A 101 14.095 -10.035 -4.077 1.00 23.32 H new ATOM 0 HA ASP A 101 13.038 -7.331 -4.647 1.00 41.13 H new ATOM 0 HB2 ASP A 101 14.997 -8.399 -5.991 1.00 64.01 H new ATOM 0 HB3 ASP A 101 13.784 -9.470 -6.662 1.00 64.01 H new ATOM 1614 N PHE A 102 11.317 -9.851 -4.260 1.00 61.52 N ATOM 1615 CA PHE A 102 9.999 -10.467 -4.353 1.00 41.25 C ATOM 1616 C PHE A 102 8.901 -9.449 -4.064 1.00 61.03 C ATOM 1617 O PHE A 102 7.742 -9.649 -4.428 1.00 73.03 O ATOM 1618 CB PHE A 102 9.892 -11.641 -3.376 1.00 42.23 C ATOM 1619 CG PHE A 102 9.235 -12.855 -3.968 1.00 43.43 C ATOM 1620 CD1 PHE A 102 9.680 -13.384 -5.170 1.00 34.02 C ATOM 1621 CD2 PHE A 102 8.173 -13.468 -3.323 1.00 61.34 C ATOM 1622 CE1 PHE A 102 9.076 -14.501 -5.716 1.00 50.23 C ATOM 1623 CE2 PHE A 102 7.565 -14.586 -3.866 1.00 54.01 C ATOM 1624 CZ PHE A 102 8.018 -15.102 -5.063 1.00 15.23 C ATOM 0 H PHE A 102 11.880 -10.176 -3.474 1.00 61.52 H new ATOM 0 HA PHE A 102 9.869 -10.836 -5.370 1.00 41.25 H new ATOM 0 HB2 PHE A 102 10.891 -11.909 -3.032 1.00 42.23 H new ATOM 0 HB3 PHE A 102 9.328 -11.323 -2.499 1.00 42.23 H new ATOM 0 HD1 PHE A 102 10.507 -12.918 -5.685 1.00 34.02 H new ATOM 0 HD2 PHE A 102 7.816 -13.069 -2.385 1.00 61.34 H new ATOM 0 HE1 PHE A 102 9.431 -14.904 -6.653 1.00 50.23 H new ATOM 0 HE2 PHE A 102 6.737 -15.054 -3.354 1.00 54.01 H new ATOM 0 HZ PHE A 102 7.546 -15.975 -5.489 1.00 15.23 H new ATOM 1634 N GLY A 103 9.273 -8.356 -3.406 1.00 33.20 N ATOM 1635 CA GLY A 103 8.308 -7.322 -3.078 1.00 14.33 C ATOM 1636 C GLY A 103 7.491 -6.890 -4.279 1.00 14.11 C ATOM 1637 O GLY A 103 6.261 -6.865 -4.225 1.00 52.21 O ATOM 0 H GLY A 103 10.226 -8.167 -3.094 1.00 33.20 H new ATOM 0 HA2 GLY A 103 7.638 -7.688 -2.300 1.00 14.33 H new ATOM 0 HA3 GLY A 103 8.831 -6.458 -2.668 1.00 14.33 H new ATOM 1641 N ARG A 104 8.174 -6.547 -5.366 1.00 11.41 N ATOM 1642 CA ARG A 104 7.503 -6.110 -6.585 1.00 21.11 C ATOM 1643 C ARG A 104 6.956 -7.305 -7.360 1.00 54.21 C ATOM 1644 O ARG A 104 5.845 -7.257 -7.890 1.00 35.02 O ATOM 1645 CB ARG A 104 8.468 -5.315 -7.466 1.00 50.22 C ATOM 1646 CG ARG A 104 9.709 -6.094 -7.868 1.00 72.45 C ATOM 1647 CD ARG A 104 10.691 -5.220 -8.633 1.00 22.14 C ATOM 1648 NE ARG A 104 11.307 -4.209 -7.777 1.00 50.51 N ATOM 1649 CZ ARG A 104 12.310 -3.429 -8.164 1.00 32.33 C ATOM 1650 NH1 ARG A 104 12.807 -3.544 -9.388 1.00 65.42 N1+ ATOM 1651 NH2 ARG A 104 12.817 -2.533 -7.327 1.00 63.54 N ATOM 0 H ARG A 104 9.192 -6.563 -5.428 1.00 11.41 H new ATOM 0 HA ARG A 104 6.668 -5.468 -6.302 1.00 21.11 H new ATOM 0 HB2 ARG A 104 7.944 -4.994 -8.366 1.00 50.22 H new ATOM 0 HB3 ARG A 104 8.772 -4.413 -6.935 1.00 50.22 H new ATOM 0 HG2 ARG A 104 10.193 -6.494 -6.977 1.00 72.45 H new ATOM 0 HG3 ARG A 104 9.422 -6.946 -8.484 1.00 72.45 H new ATOM 0 HD2 ARG A 104 11.468 -5.846 -9.071 1.00 22.14 H new ATOM 0 HD3 ARG A 104 10.174 -4.730 -9.458 1.00 22.14 H new ATOM 0 HE ARG A 104 10.947 -4.096 -6.829 1.00 50.51 H new ATOM 0 HH11 ARG A 104 12.419 -4.232 -10.033 1.00 65.42 H new ATOM 0 HH12 ARG A 104 13.577 -2.944 -9.684 1.00 65.42 H new ATOM 0 HH21 ARG A 104 12.437 -2.443 -6.385 1.00 63.54 H new ATOM 0 HH22 ARG A 104 13.587 -1.935 -7.626 1.00 63.54 H new ATOM 1665 N ILE A 105 7.743 -8.374 -7.424 1.00 74.15 N ATOM 1666 CA ILE A 105 7.336 -9.579 -8.135 1.00 51.42 C ATOM 1667 C ILE A 105 5.979 -10.074 -7.647 1.00 31.22 C ATOM 1668 O ILE A 105 5.165 -10.559 -8.433 1.00 32.23 O ATOM 1669 CB ILE A 105 8.372 -10.707 -7.967 1.00 41.53 C ATOM 1670 CG1 ILE A 105 9.741 -10.253 -8.476 1.00 71.02 C ATOM 1671 CG2 ILE A 105 7.916 -11.958 -8.704 1.00 4.21 C ATOM 1672 CD1 ILE A 105 10.868 -11.189 -8.098 1.00 51.01 C ATOM 0 H ILE A 105 8.665 -8.430 -6.992 1.00 74.15 H new ATOM 0 HA ILE A 105 7.265 -9.315 -9.190 1.00 51.42 H new ATOM 0 HB ILE A 105 8.460 -10.944 -6.907 1.00 41.53 H new ATOM 0 HG12 ILE A 105 9.704 -10.162 -9.562 1.00 71.02 H new ATOM 0 HG13 ILE A 105 9.956 -9.260 -8.080 1.00 71.02 H new ATOM 0 HG21 ILE A 105 8.658 -12.746 -8.576 1.00 4.21 H new ATOM 0 HG22 ILE A 105 6.960 -12.290 -8.299 1.00 4.21 H new ATOM 0 HG23 ILE A 105 7.803 -11.734 -9.765 1.00 4.21 H new ATOM 0 HD11 ILE A 105 11.808 -10.804 -8.492 1.00 51.01 H new ATOM 0 HD12 ILE A 105 10.932 -11.261 -7.012 1.00 51.01 H new ATOM 0 HD13 ILE A 105 10.676 -12.177 -8.517 1.00 51.01 H new ATOM 1684 N ALA A 106 5.741 -9.947 -6.345 1.00 52.13 N ATOM 1685 CA ALA A 106 4.481 -10.377 -5.753 1.00 0.32 C ATOM 1686 C ALA A 106 3.294 -9.746 -6.472 1.00 11.13 C ATOM 1687 O ALA A 106 2.330 -10.430 -6.815 1.00 42.22 O ATOM 1688 CB ALA A 106 4.449 -10.031 -4.272 1.00 60.32 C ATOM 0 H ALA A 106 6.405 -9.550 -5.681 1.00 52.13 H new ATOM 0 HA ALA A 106 4.406 -11.459 -5.863 1.00 0.32 H new ATOM 0 HB1 ALA A 106 3.502 -10.358 -3.842 1.00 60.32 H new ATOM 0 HB2 ALA A 106 5.271 -10.534 -3.763 1.00 60.32 H new ATOM 0 HB3 ALA A 106 4.551 -8.953 -4.148 1.00 60.32 H new ATOM 1694 N ALA A 107 3.369 -8.438 -6.695 1.00 54.24 N ATOM 1695 CA ALA A 107 2.301 -7.716 -7.374 1.00 40.42 C ATOM 1696 C ALA A 107 2.220 -8.110 -8.846 1.00 61.51 C ATOM 1697 O ALA A 107 1.132 -8.218 -9.409 1.00 62.23 O ATOM 1698 CB ALA A 107 2.509 -6.215 -7.238 1.00 41.43 C ATOM 0 H ALA A 107 4.159 -7.857 -6.415 1.00 54.24 H new ATOM 0 HA ALA A 107 1.357 -7.985 -6.901 1.00 40.42 H new ATOM 0 HB1 ALA A 107 1.704 -5.688 -7.750 1.00 41.43 H new ATOM 0 HB2 ALA A 107 2.508 -5.942 -6.183 1.00 41.43 H new ATOM 0 HB3 ALA A 107 3.464 -5.938 -7.684 1.00 41.43 H new ATOM 1704 N GLN A 108 3.379 -8.322 -9.461 1.00 63.24 N ATOM 1705 CA GLN A 108 3.439 -8.702 -10.867 1.00 24.31 C ATOM 1706 C GLN A 108 2.817 -10.077 -11.085 1.00 33.31 C ATOM 1707 O GLN A 108 2.268 -10.360 -12.151 1.00 5.33 O ATOM 1708 CB GLN A 108 4.889 -8.701 -11.356 1.00 74.24 C ATOM 1709 CG GLN A 108 5.042 -9.149 -12.801 1.00 10.13 C ATOM 1710 CD GLN A 108 6.457 -8.973 -13.318 1.00 34.33 C ATOM 1711 OE1 GLN A 108 6.747 -8.034 -14.059 1.00 30.11 O ATOM 1712 NE2 GLN A 108 7.346 -9.879 -12.929 1.00 30.20 N ATOM 0 H GLN A 108 4.289 -8.237 -9.008 1.00 63.24 H new ATOM 0 HA GLN A 108 2.870 -7.971 -11.440 1.00 24.31 H new ATOM 0 HB2 GLN A 108 5.299 -7.697 -11.250 1.00 74.24 H new ATOM 0 HB3 GLN A 108 5.480 -9.356 -10.716 1.00 74.24 H new ATOM 0 HG2 GLN A 108 4.756 -10.197 -12.885 1.00 10.13 H new ATOM 0 HG3 GLN A 108 4.356 -8.580 -13.429 1.00 10.13 H new ATOM 0 HE21 GLN A 108 7.062 -10.641 -12.314 1.00 30.20 H new ATOM 0 HE22 GLN A 108 8.313 -9.813 -13.245 1.00 30.20 H new ATOM 1721 N THR A 109 2.907 -10.930 -10.070 1.00 14.35 N ATOM 1722 CA THR A 109 2.355 -12.277 -10.151 1.00 1.22 C ATOM 1723 C THR A 109 0.874 -12.287 -9.787 1.00 5.53 C ATOM 1724 O THR A 109 0.086 -13.026 -10.377 1.00 22.25 O ATOM 1725 CB THR A 109 3.107 -13.250 -9.224 1.00 63.33 C ATOM 1726 OG1 THR A 109 4.503 -12.935 -9.213 1.00 62.10 O ATOM 1727 CG2 THR A 109 2.908 -14.689 -9.674 1.00 43.12 C ATOM 0 H THR A 109 3.357 -10.712 -9.181 1.00 14.35 H new ATOM 0 HA THR A 109 2.475 -12.606 -11.183 1.00 1.22 H new ATOM 0 HB THR A 109 2.704 -13.143 -8.217 1.00 63.33 H new ATOM 0 HG1 THR A 109 4.672 -12.221 -8.564 1.00 62.10 H new ATOM 0 HG21 THR A 109 3.448 -15.358 -9.004 1.00 43.12 H new ATOM 0 HG22 THR A 109 1.846 -14.934 -9.652 1.00 43.12 H new ATOM 0 HG23 THR A 109 3.287 -14.808 -10.689 1.00 43.12 H new ATOM 1735 N ALA A 110 0.504 -11.462 -8.814 1.00 1.34 N ATOM 1736 CA ALA A 110 -0.883 -11.375 -8.374 1.00 65.20 C ATOM 1737 C ALA A 110 -1.735 -10.620 -9.389 1.00 34.15 C ATOM 1738 O ALA A 110 -2.903 -10.947 -9.601 1.00 63.40 O ATOM 1739 CB ALA A 110 -0.963 -10.702 -7.012 1.00 42.13 C ATOM 0 H ALA A 110 1.145 -10.844 -8.315 1.00 1.34 H new ATOM 0 HA ALA A 110 -1.276 -12.388 -8.291 1.00 65.20 H new ATOM 0 HB1 ALA A 110 -2.004 -10.644 -6.696 1.00 42.13 H new ATOM 0 HB2 ALA A 110 -0.395 -11.283 -6.285 1.00 42.13 H new ATOM 0 HB3 ALA A 110 -0.547 -9.697 -7.078 1.00 42.13 H new ATOM 1745 N LYS A 111 -1.144 -9.609 -10.016 1.00 4.43 N ATOM 1746 CA LYS A 111 -1.847 -8.808 -11.011 1.00 13.33 C ATOM 1747 C LYS A 111 -2.132 -9.627 -12.266 1.00 33.32 C ATOM 1748 O LYS A 111 -3.177 -9.469 -12.896 1.00 3.05 O ATOM 1749 CB LYS A 111 -1.025 -7.570 -11.373 1.00 20.42 C ATOM 1750 CG LYS A 111 0.244 -7.887 -12.145 1.00 74.20 C ATOM 1751 CD LYS A 111 0.039 -7.732 -13.643 1.00 34.11 C ATOM 1752 CE LYS A 111 1.362 -7.559 -14.372 1.00 74.34 C ATOM 1753 NZ LYS A 111 1.929 -6.195 -14.179 1.00 63.44 N1+ ATOM 0 H LYS A 111 -0.178 -9.324 -9.852 1.00 4.43 H new ATOM 0 HA LYS A 111 -2.797 -8.492 -10.581 1.00 13.33 H new ATOM 0 HB2 LYS A 111 -1.642 -6.895 -11.966 1.00 20.42 H new ATOM 0 HB3 LYS A 111 -0.761 -7.039 -10.458 1.00 20.42 H new ATOM 0 HG2 LYS A 111 1.046 -7.226 -11.816 1.00 74.20 H new ATOM 0 HG3 LYS A 111 0.561 -8.906 -11.924 1.00 74.20 H new ATOM 0 HD2 LYS A 111 -0.480 -8.608 -14.033 1.00 34.11 H new ATOM 0 HD3 LYS A 111 -0.600 -6.870 -13.837 1.00 34.11 H new ATOM 0 HE2 LYS A 111 2.074 -8.302 -14.013 1.00 74.34 H new ATOM 0 HE3 LYS A 111 1.217 -7.745 -15.436 1.00 74.34 H new ATOM 0 HZ1 LYS A 111 2.735 -6.060 -14.822 1.00 63.44 H new ATOM 0 HZ2 LYS A 111 1.199 -5.483 -14.385 1.00 63.44 H new ATOM 0 HZ3 LYS A 111 2.249 -6.088 -13.195 1.00 63.44 H new ATOM 1767 N GLN A 112 -1.196 -10.502 -12.622 1.00 52.54 N ATOM 1768 CA GLN A 112 -1.349 -11.344 -13.802 1.00 10.21 C ATOM 1769 C GLN A 112 -2.331 -12.482 -13.536 1.00 0.31 C ATOM 1770 O GLN A 112 -3.042 -12.924 -14.437 1.00 14.34 O ATOM 1771 CB GLN A 112 0.006 -11.915 -14.225 1.00 41.41 C ATOM 1772 CG GLN A 112 0.646 -12.808 -13.176 1.00 33.01 C ATOM 1773 CD GLN A 112 1.888 -13.510 -13.686 1.00 31.12 C ATOM 1774 OE1 GLN A 112 2.832 -12.868 -14.149 1.00 53.14 O ATOM 1775 NE2 GLN A 112 1.897 -14.835 -13.604 1.00 73.33 N ATOM 0 H GLN A 112 -0.325 -10.646 -12.111 1.00 52.54 H new ATOM 0 HA GLN A 112 -1.745 -10.727 -14.609 1.00 10.21 H new ATOM 0 HB2 GLN A 112 -0.121 -12.484 -15.146 1.00 41.41 H new ATOM 0 HB3 GLN A 112 0.683 -11.091 -14.450 1.00 41.41 H new ATOM 0 HG2 GLN A 112 0.905 -12.209 -12.303 1.00 33.01 H new ATOM 0 HG3 GLN A 112 -0.079 -13.553 -12.848 1.00 33.01 H new ATOM 0 HE21 GLN A 112 1.094 -15.327 -13.213 1.00 73.33 H new ATOM 0 HE22 GLN A 112 2.707 -15.361 -13.932 1.00 73.33 H new ATOM 1784 N VAL A 113 -2.364 -12.949 -12.291 1.00 42.44 N ATOM 1785 CA VAL A 113 -3.259 -14.033 -11.906 1.00 53.54 C ATOM 1786 C VAL A 113 -4.699 -13.546 -11.799 1.00 33.44 C ATOM 1787 O VAL A 113 -5.602 -14.102 -12.424 1.00 10.35 O ATOM 1788 CB VAL A 113 -2.838 -14.657 -10.561 1.00 51.35 C ATOM 1789 CG1 VAL A 113 -3.927 -15.582 -10.038 1.00 52.31 C ATOM 1790 CG2 VAL A 113 -1.520 -15.401 -10.708 1.00 71.43 C ATOM 0 H VAL A 113 -1.781 -12.593 -11.533 1.00 42.44 H new ATOM 0 HA VAL A 113 -3.193 -14.791 -12.687 1.00 53.54 H new ATOM 0 HB VAL A 113 -2.697 -13.855 -9.836 1.00 51.35 H new ATOM 0 HG11 VAL A 113 -3.612 -16.014 -9.088 1.00 52.31 H new ATOM 0 HG12 VAL A 113 -4.847 -15.015 -9.892 1.00 52.31 H new ATOM 0 HG13 VAL A 113 -4.103 -16.381 -10.759 1.00 52.31 H new ATOM 0 HG21 VAL A 113 -1.238 -15.835 -9.749 1.00 71.43 H new ATOM 0 HG22 VAL A 113 -1.631 -16.195 -11.447 1.00 71.43 H new ATOM 0 HG23 VAL A 113 -0.745 -14.707 -11.034 1.00 71.43 H new ATOM 1800 N VAL A 114 -4.907 -12.502 -11.004 1.00 62.31 N ATOM 1801 CA VAL A 114 -6.238 -11.937 -10.815 1.00 44.31 C ATOM 1802 C VAL A 114 -6.867 -11.556 -12.152 1.00 24.40 C ATOM 1803 O VAL A 114 -8.077 -11.683 -12.341 1.00 43.44 O ATOM 1804 CB VAL A 114 -6.198 -10.695 -9.906 1.00 25.43 C ATOM 1805 CG1 VAL A 114 -5.717 -11.069 -8.512 1.00 75.53 C ATOM 1806 CG2 VAL A 114 -5.311 -9.619 -10.514 1.00 62.43 C ATOM 0 H VAL A 114 -4.170 -12.030 -10.480 1.00 62.31 H new ATOM 0 HA VAL A 114 -6.844 -12.707 -10.337 1.00 44.31 H new ATOM 0 HB VAL A 114 -7.209 -10.296 -9.821 1.00 25.43 H new ATOM 0 HG11 VAL A 114 -5.695 -10.179 -7.884 1.00 75.53 H new ATOM 0 HG12 VAL A 114 -6.396 -11.803 -8.078 1.00 75.53 H new ATOM 0 HG13 VAL A 114 -4.715 -11.494 -8.575 1.00 75.53 H new ATOM 0 HG21 VAL A 114 -5.294 -8.748 -9.859 1.00 62.43 H new ATOM 0 HG22 VAL A 114 -4.298 -10.005 -10.631 1.00 62.43 H new ATOM 0 HG23 VAL A 114 -5.704 -9.332 -11.489 1.00 62.43 H new ATOM 1816 N THR A 115 -6.036 -11.086 -13.077 1.00 11.13 N ATOM 1817 CA THR A 115 -6.510 -10.685 -14.396 1.00 33.11 C ATOM 1818 C THR A 115 -6.988 -11.889 -15.198 1.00 25.41 C ATOM 1819 O THR A 115 -7.878 -11.771 -16.040 1.00 0.53 O ATOM 1820 CB THR A 115 -5.409 -9.958 -15.191 1.00 14.23 C ATOM 1821 OG1 THR A 115 -5.051 -8.739 -14.529 1.00 20.24 O ATOM 1822 CG2 THR A 115 -5.874 -9.654 -16.606 1.00 72.31 C ATOM 0 H THR A 115 -5.032 -10.974 -12.937 1.00 11.13 H new ATOM 0 HA THR A 115 -7.345 -10.003 -14.238 1.00 33.11 H new ATOM 0 HB THR A 115 -4.539 -10.612 -15.245 1.00 14.23 H new ATOM 0 HG1 THR A 115 -4.166 -8.837 -14.119 1.00 20.24 H new ATOM 0 HG21 THR A 115 -5.080 -9.141 -17.148 1.00 72.31 H new ATOM 0 HG22 THR A 115 -6.118 -10.585 -17.117 1.00 72.31 H new ATOM 0 HG23 THR A 115 -6.758 -9.018 -16.570 1.00 72.31 H new ATOM 1830 N GLN A 116 -6.393 -13.047 -14.931 1.00 72.25 N ATOM 1831 CA GLN A 116 -6.759 -14.273 -15.629 1.00 54.01 C ATOM 1832 C GLN A 116 -8.127 -14.771 -15.174 1.00 61.15 C ATOM 1833 O GLN A 116 -8.904 -15.297 -15.970 1.00 62.10 O ATOM 1834 CB GLN A 116 -5.704 -15.355 -15.393 1.00 65.13 C ATOM 1835 CG GLN A 116 -4.492 -15.232 -16.301 1.00 43.44 C ATOM 1836 CD GLN A 116 -3.453 -16.304 -16.036 1.00 55.41 C ATOM 1837 OE1 GLN A 116 -2.374 -16.023 -15.512 1.00 43.23 O ATOM 1838 NE2 GLN A 116 -3.772 -17.540 -16.399 1.00 23.42 N ATOM 0 H GLN A 116 -5.655 -13.162 -14.236 1.00 72.25 H new ATOM 0 HA GLN A 116 -6.809 -14.052 -16.695 1.00 54.01 H new ATOM 0 HB2 GLN A 116 -5.376 -15.310 -14.355 1.00 65.13 H new ATOM 0 HB3 GLN A 116 -6.160 -16.334 -15.541 1.00 65.13 H new ATOM 0 HG2 GLN A 116 -4.814 -15.293 -17.341 1.00 43.44 H new ATOM 0 HG3 GLN A 116 -4.039 -14.250 -16.164 1.00 43.44 H new ATOM 0 HE21 GLN A 116 -4.677 -17.727 -16.830 1.00 23.42 H new ATOM 0 HE22 GLN A 116 -3.112 -18.303 -16.247 1.00 23.42 H new ATOM 1847 N ARG A 117 -8.413 -14.603 -13.887 1.00 54.30 N ATOM 1848 CA ARG A 117 -9.686 -15.037 -13.324 1.00 0.51 C ATOM 1849 C ARG A 117 -10.841 -14.223 -13.901 1.00 2.44 C ATOM 1850 O ARG A 117 -11.967 -14.709 -14.005 1.00 12.00 O ATOM 1851 CB ARG A 117 -9.666 -14.906 -11.801 1.00 31.12 C ATOM 1852 CG ARG A 117 -8.382 -15.411 -11.163 1.00 40.43 C ATOM 1853 CD ARG A 117 -8.073 -16.838 -11.586 1.00 72.54 C ATOM 1854 NE ARG A 117 -9.181 -17.745 -11.303 1.00 64.15 N ATOM 1855 CZ ARG A 117 -9.054 -19.067 -11.250 1.00 13.24 C ATOM 1856 NH1 ARG A 117 -7.873 -19.632 -11.460 1.00 21.13 N1+ ATOM 1857 NH2 ARG A 117 -10.109 -19.826 -10.986 1.00 63.20 N ATOM 0 H ARG A 117 -7.780 -14.169 -13.215 1.00 54.30 H new ATOM 0 HA ARG A 117 -9.834 -16.084 -13.589 1.00 0.51 H new ATOM 0 HB2 ARG A 117 -9.808 -13.859 -11.533 1.00 31.12 H new ATOM 0 HB3 ARG A 117 -10.509 -15.458 -11.386 1.00 31.12 H new ATOM 0 HG2 ARG A 117 -7.554 -14.760 -11.444 1.00 40.43 H new ATOM 0 HG3 ARG A 117 -8.471 -15.363 -10.078 1.00 40.43 H new ATOM 0 HD2 ARG A 117 -7.850 -16.860 -12.653 1.00 72.54 H new ATOM 0 HD3 ARG A 117 -7.179 -17.184 -11.067 1.00 72.54 H new ATOM 0 HE ARG A 117 -10.103 -17.342 -11.137 1.00 64.15 H new ATOM 0 HH11 ARG A 117 -7.059 -19.052 -11.663 1.00 21.13 H new ATOM 0 HH12 ARG A 117 -7.779 -20.647 -11.419 1.00 21.13 H new ATOM 0 HH21 ARG A 117 -11.019 -19.395 -10.823 1.00 63.20 H new ATOM 0 HH22 ARG A 117 -10.010 -20.840 -10.946 1.00 63.20 H new ATOM 1871 N VAL A 118 -10.553 -12.980 -14.273 1.00 41.12 N ATOM 1872 CA VAL A 118 -11.567 -12.097 -14.838 1.00 4.21 C ATOM 1873 C VAL A 118 -12.045 -12.607 -16.193 1.00 14.31 C ATOM 1874 O VAL A 118 -13.243 -12.772 -16.418 1.00 21.50 O ATOM 1875 CB VAL A 118 -11.034 -10.662 -15.001 1.00 24.22 C ATOM 1876 CG1 VAL A 118 -12.167 -9.706 -15.340 1.00 62.13 C ATOM 1877 CG2 VAL A 118 -10.309 -10.216 -13.739 1.00 2.43 C ATOM 0 H VAL A 118 -9.626 -12.562 -14.193 1.00 41.12 H new ATOM 0 HA VAL A 118 -12.404 -12.088 -14.140 1.00 4.21 H new ATOM 0 HB VAL A 118 -10.322 -10.650 -15.826 1.00 24.22 H new ATOM 0 HG11 VAL A 118 -11.771 -8.697 -15.451 1.00 62.13 H new ATOM 0 HG12 VAL A 118 -12.638 -10.016 -16.273 1.00 62.13 H new ATOM 0 HG13 VAL A 118 -12.906 -9.719 -14.539 1.00 62.13 H new ATOM 0 HG21 VAL A 118 -9.939 -9.199 -13.872 1.00 2.43 H new ATOM 0 HG22 VAL A 118 -10.998 -10.244 -12.895 1.00 2.43 H new ATOM 0 HG23 VAL A 118 -9.470 -10.885 -13.545 1.00 2.43 H new ATOM 1887 N ARG A 119 -11.099 -12.856 -17.093 1.00 45.44 N ATOM 1888 CA ARG A 119 -11.423 -13.346 -18.427 1.00 54.32 C ATOM 1889 C ARG A 119 -11.855 -14.809 -18.378 1.00 31.42 C ATOM 1890 O ARG A 119 -12.802 -15.208 -19.054 1.00 55.43 O ATOM 1891 CB ARG A 119 -10.219 -13.189 -19.358 1.00 34.42 C ATOM 1892 CG ARG A 119 -8.975 -13.914 -18.871 1.00 12.01 C ATOM 1893 CD ARG A 119 -7.780 -13.633 -19.769 1.00 74.24 C ATOM 1894 NE ARG A 119 -7.402 -12.223 -19.750 1.00 63.02 N ATOM 1895 CZ ARG A 119 -6.634 -11.655 -20.675 1.00 41.21 C ATOM 1896 NH1 ARG A 119 -6.166 -12.374 -21.685 1.00 65.13 N1+ ATOM 1897 NH2 ARG A 119 -6.333 -10.366 -20.589 1.00 64.13 N ATOM 0 H ARG A 119 -10.102 -12.726 -16.922 1.00 45.44 H new ATOM 0 HA ARG A 119 -12.252 -12.753 -18.814 1.00 54.32 H new ATOM 0 HB2 ARG A 119 -10.484 -13.563 -20.347 1.00 34.42 H new ATOM 0 HB3 ARG A 119 -9.992 -12.129 -19.469 1.00 34.42 H new ATOM 0 HG2 ARG A 119 -8.747 -13.603 -17.852 1.00 12.01 H new ATOM 0 HG3 ARG A 119 -9.166 -14.987 -18.842 1.00 12.01 H new ATOM 0 HD2 ARG A 119 -6.934 -14.240 -19.447 1.00 74.24 H new ATOM 0 HD3 ARG A 119 -8.016 -13.932 -20.790 1.00 74.24 H new ATOM 0 HE ARG A 119 -7.746 -11.642 -18.985 1.00 63.02 H new ATOM 0 HH11 ARG A 119 -6.395 -13.366 -21.754 1.00 65.13 H new ATOM 0 HH12 ARG A 119 -5.577 -11.936 -22.393 1.00 65.13 H new ATOM 0 HH21 ARG A 119 -6.691 -9.809 -19.813 1.00 64.13 H new ATOM 0 HH22 ARG A 119 -5.744 -9.931 -21.299 1.00 64.13 H new ATOM 1911 N GLU A 120 -11.153 -15.600 -17.574 1.00 3.12 N ATOM 1912 CA GLU A 120 -11.464 -17.020 -17.439 1.00 33.03 C ATOM 1913 C GLU A 120 -12.895 -17.219 -16.948 1.00 32.20 C ATOM 1914 O GLU A 120 -13.629 -18.059 -17.465 1.00 44.34 O ATOM 1915 CB GLU A 120 -10.484 -17.690 -16.474 1.00 30.44 C ATOM 1916 CG GLU A 120 -9.120 -17.962 -17.085 1.00 1.51 C ATOM 1917 CD GLU A 120 -9.007 -19.362 -17.659 1.00 53.43 C ATOM 1918 OE1 GLU A 120 -10.050 -20.037 -17.781 1.00 71.34 O1- ATOM 1919 OE2 GLU A 120 -7.877 -19.781 -17.987 1.00 11.10 O ATOM 0 H GLU A 120 -10.366 -15.284 -17.007 1.00 3.12 H new ATOM 0 HA GLU A 120 -11.368 -17.482 -18.422 1.00 33.03 H new ATOM 0 HB2 GLU A 120 -10.360 -17.055 -15.596 1.00 30.44 H new ATOM 0 HB3 GLU A 120 -10.913 -18.631 -16.129 1.00 30.44 H new ATOM 0 HG2 GLU A 120 -8.927 -17.234 -17.873 1.00 1.51 H new ATOM 0 HG3 GLU A 120 -8.351 -17.821 -16.325 1.00 1.51 H new ATOM 1926 N ALA A 121 -13.283 -16.438 -15.944 1.00 41.02 N ATOM 1927 CA ALA A 121 -14.626 -16.528 -15.383 1.00 30.52 C ATOM 1928 C ALA A 121 -15.685 -16.292 -16.454 1.00 21.14 C ATOM 1929 O ALA A 121 -16.583 -17.113 -16.643 1.00 23.24 O ATOM 1930 CB ALA A 121 -14.790 -15.528 -14.247 1.00 61.44 C ATOM 0 H ALA A 121 -12.687 -15.737 -15.503 1.00 41.02 H new ATOM 0 HA ALA A 121 -14.763 -17.535 -14.990 1.00 30.52 H new ATOM 0 HB1 ALA A 121 -15.797 -15.605 -13.837 1.00 61.44 H new ATOM 0 HB2 ALA A 121 -14.062 -15.743 -13.465 1.00 61.44 H new ATOM 0 HB3 ALA A 121 -14.629 -14.518 -14.625 1.00 61.44 H new ATOM 1936 N GLU A 122 -15.575 -15.167 -17.154 1.00 33.52 N ATOM 1937 CA GLU A 122 -16.524 -14.824 -18.205 1.00 11.20 C ATOM 1938 C GLU A 122 -16.418 -15.801 -19.374 1.00 55.40 C ATOM 1939 O GLU A 122 -17.378 -16.001 -20.118 1.00 21.30 O ATOM 1940 CB GLU A 122 -16.283 -13.396 -18.696 1.00 64.21 C ATOM 1941 CG GLU A 122 -14.903 -13.182 -19.294 1.00 13.33 C ATOM 1942 CD GLU A 122 -14.841 -11.970 -20.202 1.00 3.12 C ATOM 1943 OE1 GLU A 122 -15.565 -11.951 -21.219 1.00 51.22 O1- ATOM 1944 OE2 GLU A 122 -14.068 -11.038 -19.894 1.00 65.03 O ATOM 0 H GLU A 122 -14.837 -14.478 -17.011 1.00 33.52 H new ATOM 0 HA GLU A 122 -17.529 -14.891 -17.787 1.00 11.20 H new ATOM 0 HB2 GLU A 122 -17.036 -13.146 -19.443 1.00 64.21 H new ATOM 0 HB3 GLU A 122 -16.419 -12.707 -17.863 1.00 64.21 H new ATOM 0 HG2 GLU A 122 -14.177 -13.066 -18.489 1.00 13.33 H new ATOM 0 HG3 GLU A 122 -14.614 -14.069 -19.858 1.00 13.33 H new ATOM 1951 N ARG A 123 -15.244 -16.404 -19.528 1.00 41.24 N ATOM 1952 CA ARG A 123 -15.010 -17.356 -20.606 1.00 72.40 C ATOM 1953 C ARG A 123 -15.849 -18.616 -20.409 1.00 72.21 C ATOM 1954 O ARG A 123 -16.181 -19.310 -21.370 1.00 44.14 O ATOM 1955 CB ARG A 123 -13.528 -17.725 -20.678 1.00 64.22 C ATOM 1956 CG ARG A 123 -12.707 -16.781 -21.542 1.00 70.24 C ATOM 1957 CD ARG A 123 -12.623 -17.272 -22.979 1.00 32.51 C ATOM 1958 NE ARG A 123 -12.006 -18.592 -23.070 1.00 10.34 N ATOM 1959 CZ ARG A 123 -11.793 -19.226 -24.218 1.00 11.52 C ATOM 1960 NH1 ARG A 123 -12.146 -18.662 -25.366 1.00 52.13 N1+ ATOM 1961 NH2 ARG A 123 -11.227 -20.426 -24.220 1.00 40.43 N ATOM 0 H ARG A 123 -14.440 -16.250 -18.919 1.00 41.24 H new ATOM 0 HA ARG A 123 -15.306 -16.885 -21.543 1.00 72.40 H new ATOM 0 HB2 ARG A 123 -13.115 -17.733 -19.669 1.00 64.22 H new ATOM 0 HB3 ARG A 123 -13.433 -18.738 -21.070 1.00 64.22 H new ATOM 0 HG2 ARG A 123 -13.153 -15.787 -21.522 1.00 70.24 H new ATOM 0 HG3 ARG A 123 -11.703 -16.688 -21.129 1.00 70.24 H new ATOM 0 HD2 ARG A 123 -13.624 -17.309 -23.409 1.00 32.51 H new ATOM 0 HD3 ARG A 123 -12.048 -16.561 -23.572 1.00 32.51 H new ATOM 0 HE ARG A 123 -11.723 -19.053 -22.205 1.00 10.34 H new ATOM 0 HH11 ARG A 123 -12.582 -17.740 -25.368 1.00 52.13 H new ATOM 0 HH12 ARG A 123 -11.981 -19.151 -26.246 1.00 52.13 H new ATOM 0 HH21 ARG A 123 -10.955 -20.863 -23.339 1.00 40.43 H new ATOM 0 HH22 ARG A 123 -11.064 -20.912 -25.102 1.00 40.43 H new ATOM 1975 N GLY A 124 -16.189 -18.906 -19.156 1.00 5.13 N ATOM 1976 CA GLY A 124 -16.984 -20.081 -18.856 1.00 42.31 C ATOM 1977 C GLY A 124 -17.498 -20.084 -17.430 1.00 72.23 C ATOM 1978 O GLY A 124 -17.515 -21.124 -16.772 1.00 21.50 O ATOM 0 H GLY A 124 -15.927 -18.347 -18.344 1.00 5.13 H new ATOM 0 HA2 GLY A 124 -17.828 -20.130 -19.544 1.00 42.31 H new ATOM 0 HA3 GLY A 124 -16.384 -20.975 -19.025 1.00 42.31 H new TER 1982 GLY A 124