USER MOD reduce.3.24.130724 H: found=0, std=0, add=824, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 824 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 52 HIS : no HD1:sc= -2.5 K(o=-3.4,f=-4.1) USER MOD Set 1.2: A 95 CYS SG : rot 129:sc= -0.935 USER MOD Set 2.1: A 31 TYR OH : rot 161:sc= 1.35 USER MOD Set 2.2: A 38 SER OG : rot 83:sc= 1.11 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 158:sc= 0.369 (180deg=0.0777!) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 HIS : no HD1:sc= -0.0986 X(o=-0.099,f=0) USER MOD Single : A 17 LYS NZ :NH3+ -101:sc= 1.25 (180deg=-0.306) USER MOD Single : A 24 MET CE :methyl -173:sc= -0.369 (180deg=-0.623) USER MOD Single : A 25 LYS NZ :NH3+ -170:sc= -0.0286 (180deg=-0.196) USER MOD Single : A 27 MET CE :methyl -179:sc= 0 (180deg=-0.0072) USER MOD Single : A 29 ASN :FLIP amide:sc= -0.263 F(o=-3.1!,f=-0.26) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ -167:sc= -0.0183 (180deg=-0.181) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 171:sc= 1.28 (180deg=0.922) USER MOD Single : A 65 ASN : amide:sc= -2.22! C(o=-2.2!,f=-5.2!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot -171:sc= 0.00613 USER MOD Single : A 76 GLN : amide:sc= -1.25! C(o=-1.3!,f=-5.4!) USER MOD Single : A 77 CYS SG : rot -52:sc= -1.55! USER MOD Single : A 83 THR OG1 : rot -121:sc= -1.11 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 TYR OH : rot 110:sc= -0.216 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 145:sc= -2.32 (180deg=-3.97!) USER MOD Single : A 99 HIS : no HD1:sc=-0.00847 X(o=-0.0085,f=-0.0085) USER MOD Single : A 100 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 101 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 102 HIS : no HE2:sc= 0.354 K(o=0.35,f=-1.8) USER MOD Single : A 103 HIS : no HD1:sc= -0.0165 X(o=-0.017,f=-0.0092) USER MOD Single : A 104 HIS : no HD1:sc= -0.0239 X(o=-0.024,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.322 1.750 -0.539 1.00 34.14 N ATOM 2 CA MET A 1 2.762 1.572 -0.217 1.00 60.44 C ATOM 3 C MET A 1 3.248 0.171 -0.612 1.00 62.31 C ATOM 4 O MET A 1 2.646 -0.835 -0.236 1.00 53.14 O ATOM 5 CB MET A 1 3.004 1.803 1.281 1.00 74.02 C ATOM 6 CG MET A 1 2.706 3.223 1.743 1.00 11.34 C ATOM 7 SD MET A 1 1.004 3.717 1.411 1.00 41.20 S ATOM 8 CE MET A 1 1.002 5.383 2.077 1.00 3.24 C ATOM 0 H1 MET A 1 0.927 2.514 0.046 1.00 34.14 H new ATOM 0 H2 MET A 1 1.219 1.995 -1.544 1.00 34.14 H new ATOM 0 H3 MET A 1 0.811 0.865 -0.344 1.00 34.14 H new ATOM 0 HA MET A 1 3.327 2.307 -0.791 1.00 60.44 H new ATOM 0 HB2 MET A 1 2.385 1.109 1.850 1.00 74.02 H new ATOM 0 HB3 MET A 1 4.043 1.567 1.512 1.00 74.02 H new ATOM 0 HG2 MET A 1 2.901 3.302 2.812 1.00 11.34 H new ATOM 0 HG3 MET A 1 3.385 3.914 1.243 1.00 11.34 H new ATOM 0 HE1 MET A 1 0.014 5.826 1.947 1.00 3.24 H new ATOM 0 HE2 MET A 1 1.248 5.351 3.138 1.00 3.24 H new ATOM 0 HE3 MET A 1 1.742 5.986 1.551 1.00 3.24 H new ATOM 20 N ALA A 2 4.338 0.108 -1.374 1.00 62.14 N ATOM 21 CA ALA A 2 4.917 -1.174 -1.784 1.00 21.25 C ATOM 22 C ALA A 2 5.765 -1.790 -0.658 1.00 21.21 C ATOM 23 O ALA A 2 6.979 -1.577 -0.590 1.00 74.14 O ATOM 24 CB ALA A 2 5.748 -1.001 -3.053 1.00 61.14 C ATOM 0 H ALA A 2 4.839 0.926 -1.720 1.00 62.14 H new ATOM 0 HA ALA A 2 4.098 -1.861 -1.995 1.00 21.25 H new ATOM 0 HB1 ALA A 2 6.171 -1.962 -3.345 1.00 61.14 H new ATOM 0 HB2 ALA A 2 5.113 -0.626 -3.855 1.00 61.14 H new ATOM 0 HB3 ALA A 2 6.554 -0.291 -2.866 1.00 61.14 H new ATOM 30 N LYS A 3 5.112 -2.526 0.240 1.00 44.05 N ATOM 31 CA LYS A 3 5.800 -3.179 1.363 1.00 13.23 C ATOM 32 C LYS A 3 4.898 -4.211 2.059 1.00 41.05 C ATOM 33 O LYS A 3 3.672 -4.069 2.076 1.00 53.04 O ATOM 34 CB LYS A 3 6.263 -2.131 2.391 1.00 31.31 C ATOM 35 CG LYS A 3 6.947 -2.736 3.615 1.00 74.52 C ATOM 36 CD LYS A 3 7.368 -1.677 4.630 1.00 34.21 C ATOM 37 CE LYS A 3 8.387 -0.702 4.051 1.00 51.30 C ATOM 38 NZ LYS A 3 8.956 0.189 5.095 1.00 34.50 N ATOM 0 H LYS A 3 4.105 -2.688 0.215 1.00 44.05 H new ATOM 0 HA LYS A 3 6.666 -3.700 0.954 1.00 13.23 H new ATOM 0 HB2 LYS A 3 6.951 -1.438 1.906 1.00 31.31 H new ATOM 0 HB3 LYS A 3 5.401 -1.549 2.717 1.00 31.31 H new ATOM 0 HG2 LYS A 3 6.270 -3.444 4.093 1.00 74.52 H new ATOM 0 HG3 LYS A 3 7.824 -3.299 3.296 1.00 74.52 H new ATOM 0 HD2 LYS A 3 6.489 -1.126 4.964 1.00 34.21 H new ATOM 0 HD3 LYS A 3 7.792 -2.165 5.508 1.00 34.21 H new ATOM 0 HE2 LYS A 3 9.192 -1.260 3.572 1.00 51.30 H new ATOM 0 HE3 LYS A 3 7.913 -0.098 3.277 1.00 51.30 H new ATOM 0 HZ1 LYS A 3 9.644 0.837 4.661 1.00 34.50 H new ATOM 0 HZ2 LYS A 3 8.192 0.740 5.535 1.00 34.50 H new ATOM 0 HZ3 LYS A 3 9.431 -0.385 5.820 1.00 34.50 H new ATOM 52 N ALA A 4 5.512 -5.258 2.615 1.00 11.52 N ATOM 53 CA ALA A 4 4.794 -6.232 3.447 1.00 63.01 C ATOM 54 C ALA A 4 4.642 -5.702 4.882 1.00 5.13 C ATOM 55 O ALA A 4 5.639 -5.454 5.571 1.00 12.23 O ATOM 56 CB ALA A 4 5.523 -7.575 3.443 1.00 2.13 C ATOM 0 H ALA A 4 6.507 -5.455 2.505 1.00 11.52 H new ATOM 0 HA ALA A 4 3.798 -6.380 3.029 1.00 63.01 H new ATOM 0 HB1 ALA A 4 4.979 -8.286 4.064 1.00 2.13 H new ATOM 0 HB2 ALA A 4 5.581 -7.954 2.423 1.00 2.13 H new ATOM 0 HB3 ALA A 4 6.530 -7.444 3.839 1.00 2.13 H new ATOM 62 N GLN A 5 3.399 -5.529 5.325 1.00 53.41 N ATOM 63 CA GLN A 5 3.113 -4.910 6.625 1.00 42.20 C ATOM 64 C GLN A 5 3.785 -5.665 7.792 1.00 3.32 C ATOM 65 O GLN A 5 3.761 -6.901 7.848 1.00 23.43 O ATOM 66 CB GLN A 5 1.592 -4.828 6.856 1.00 45.22 C ATOM 67 CG GLN A 5 0.919 -6.178 7.095 1.00 15.34 C ATOM 68 CD GLN A 5 -0.589 -6.068 7.251 1.00 51.23 C ATOM 69 OE1 GLN A 5 -1.335 -6.188 6.287 1.00 23.44 O ATOM 70 NE2 GLN A 5 -1.051 -5.818 8.459 1.00 34.25 N ATOM 0 H GLN A 5 2.568 -5.809 4.803 1.00 53.41 H new ATOM 0 HA GLN A 5 3.532 -3.904 6.601 1.00 42.20 H new ATOM 0 HB2 GLN A 5 1.401 -4.183 7.714 1.00 45.22 H new ATOM 0 HB3 GLN A 5 1.130 -4.353 5.991 1.00 45.22 H new ATOM 0 HG2 GLN A 5 1.145 -6.844 6.262 1.00 15.34 H new ATOM 0 HG3 GLN A 5 1.340 -6.634 7.991 1.00 15.34 H new ATOM 0 HE21 GLN A 5 -0.405 -5.723 9.243 1.00 34.25 H new ATOM 0 HE22 GLN A 5 -2.055 -5.719 8.611 1.00 34.25 H new ATOM 79 N PRO A 6 4.426 -4.929 8.725 1.00 21.33 N ATOM 80 CA PRO A 6 4.983 -5.519 9.954 1.00 41.12 C ATOM 81 C PRO A 6 3.878 -5.999 10.912 1.00 41.35 C ATOM 82 O PRO A 6 2.801 -5.402 10.983 1.00 52.03 O ATOM 83 CB PRO A 6 5.784 -4.363 10.589 1.00 43.23 C ATOM 84 CG PRO A 6 5.915 -3.335 9.511 1.00 13.23 C ATOM 85 CD PRO A 6 4.689 -3.483 8.652 1.00 70.21 C ATOM 0 HA PRO A 6 5.590 -6.400 9.744 1.00 41.12 H new ATOM 0 HB2 PRO A 6 5.267 -3.957 11.459 1.00 43.23 H new ATOM 0 HB3 PRO A 6 6.762 -4.703 10.930 1.00 43.23 H new ATOM 0 HG2 PRO A 6 5.978 -2.332 9.933 1.00 13.23 H new ATOM 0 HG3 PRO A 6 6.822 -3.493 8.928 1.00 13.23 H new ATOM 0 HD2 PRO A 6 3.852 -2.898 9.034 1.00 70.21 H new ATOM 0 HD3 PRO A 6 4.868 -3.154 7.628 1.00 70.21 H new ATOM 93 N ILE A 7 4.144 -7.069 11.653 1.00 64.21 N ATOM 94 CA ILE A 7 3.144 -7.638 12.563 1.00 10.33 C ATOM 95 C ILE A 7 3.156 -6.914 13.920 1.00 63.10 C ATOM 96 O ILE A 7 4.077 -7.077 14.714 1.00 53.31 O ATOM 97 CB ILE A 7 3.359 -9.167 12.775 1.00 12.34 C ATOM 98 CG1 ILE A 7 3.075 -9.958 11.480 1.00 53.24 C ATOM 99 CG2 ILE A 7 2.478 -9.693 13.909 1.00 15.05 C ATOM 100 CD1 ILE A 7 4.049 -9.693 10.349 1.00 20.31 C ATOM 0 H ILE A 7 5.037 -7.561 11.645 1.00 64.21 H new ATOM 0 HA ILE A 7 2.170 -7.494 12.095 1.00 10.33 H new ATOM 0 HB ILE A 7 4.405 -9.312 13.047 1.00 12.34 H new ATOM 0 HG12 ILE A 7 3.089 -11.023 11.711 1.00 53.24 H new ATOM 0 HG13 ILE A 7 2.068 -9.719 11.138 1.00 53.24 H new ATOM 0 HG21 ILE A 7 2.648 -10.762 14.036 1.00 15.05 H new ATOM 0 HG22 ILE A 7 2.728 -9.174 14.834 1.00 15.05 H new ATOM 0 HG23 ILE A 7 1.430 -9.518 13.666 1.00 15.05 H new ATOM 0 HD11 ILE A 7 3.771 -10.292 9.482 1.00 20.31 H new ATOM 0 HD12 ILE A 7 4.021 -8.636 10.085 1.00 20.31 H new ATOM 0 HD13 ILE A 7 5.057 -9.961 10.666 1.00 20.31 H new ATOM 112 N GLU A 8 2.136 -6.095 14.169 1.00 14.33 N ATOM 113 CA GLU A 8 2.015 -5.369 15.441 1.00 44.23 C ATOM 114 C GLU A 8 0.914 -5.995 16.315 1.00 13.25 C ATOM 115 O GLU A 8 -0.243 -6.098 15.899 1.00 31.22 O ATOM 116 CB GLU A 8 1.731 -3.878 15.161 1.00 33.41 C ATOM 117 CG GLU A 8 1.807 -2.958 16.387 1.00 1.44 C ATOM 118 CD GLU A 8 0.494 -2.854 17.153 1.00 53.22 C ATOM 119 OE1 GLU A 8 -0.355 -2.021 16.769 1.00 12.02 O ATOM 120 OE2 GLU A 8 0.306 -3.594 18.139 1.00 61.45 O ATOM 0 H GLU A 8 1.379 -5.915 13.510 1.00 14.33 H new ATOM 0 HA GLU A 8 2.953 -5.444 15.991 1.00 44.23 H new ATOM 0 HB2 GLU A 8 2.442 -3.523 14.415 1.00 33.41 H new ATOM 0 HB3 GLU A 8 0.737 -3.790 14.721 1.00 33.41 H new ATOM 0 HG2 GLU A 8 2.582 -3.326 17.059 1.00 1.44 H new ATOM 0 HG3 GLU A 8 2.110 -1.962 16.065 1.00 1.44 H new ATOM 127 N ILE A 9 1.289 -6.435 17.519 1.00 4.21 N ATOM 128 CA ILE A 9 0.349 -7.093 18.437 1.00 21.41 C ATOM 129 C ILE A 9 0.440 -6.504 19.860 1.00 54.42 C ATOM 130 O ILE A 9 1.494 -6.559 20.501 1.00 14.02 O ATOM 131 CB ILE A 9 0.610 -8.624 18.504 1.00 63.32 C ATOM 132 CG1 ILE A 9 0.490 -9.263 17.108 1.00 72.14 C ATOM 133 CG2 ILE A 9 -0.354 -9.296 19.483 1.00 2.34 C ATOM 134 CD1 ILE A 9 0.759 -10.757 17.092 1.00 44.23 C ATOM 0 H ILE A 9 2.238 -6.348 17.883 1.00 4.21 H new ATOM 0 HA ILE A 9 -0.652 -6.914 18.044 1.00 21.41 H new ATOM 0 HB ILE A 9 1.628 -8.776 18.864 1.00 63.32 H new ATOM 0 HG12 ILE A 9 -0.512 -9.080 16.720 1.00 72.14 H new ATOM 0 HG13 ILE A 9 1.189 -8.770 16.432 1.00 72.14 H new ATOM 0 HG21 ILE A 9 -0.153 -10.367 19.514 1.00 2.34 H new ATOM 0 HG22 ILE A 9 -0.216 -8.872 20.478 1.00 2.34 H new ATOM 0 HG23 ILE A 9 -1.380 -9.128 19.156 1.00 2.34 H new ATOM 0 HD11 ILE A 9 0.655 -11.134 16.075 1.00 44.23 H new ATOM 0 HD12 ILE A 9 1.771 -10.948 17.449 1.00 44.23 H new ATOM 0 HD13 ILE A 9 0.044 -11.262 17.741 1.00 44.23 H new ATOM 146 N ALA A 10 -0.668 -5.924 20.334 1.00 72.44 N ATOM 147 CA ALA A 10 -0.772 -5.407 21.711 1.00 74.33 C ATOM 148 C ALA A 10 0.235 -4.276 21.997 1.00 0.42 C ATOM 149 O ALA A 10 0.597 -4.029 23.151 1.00 3.33 O ATOM 150 CB ALA A 10 -0.596 -6.546 22.715 1.00 54.10 C ATOM 0 H ALA A 10 -1.516 -5.798 19.781 1.00 72.44 H new ATOM 0 HA ALA A 10 -1.768 -4.977 21.820 1.00 74.33 H new ATOM 0 HB1 ALA A 10 -0.675 -6.153 23.729 1.00 54.10 H new ATOM 0 HB2 ALA A 10 -1.372 -7.295 22.555 1.00 54.10 H new ATOM 0 HB3 ALA A 10 0.384 -7.003 22.578 1.00 54.10 H new ATOM 156 N GLY A 11 0.668 -3.583 20.947 1.00 1.03 N ATOM 157 CA GLY A 11 1.654 -2.513 21.096 1.00 74.25 C ATOM 158 C GLY A 11 3.074 -2.966 20.774 1.00 1.52 C ATOM 159 O GLY A 11 4.001 -2.155 20.734 1.00 0.34 O ATOM 0 H GLY A 11 0.355 -3.741 19.989 1.00 1.03 H new ATOM 0 HA2 GLY A 11 1.385 -1.684 20.441 1.00 74.25 H new ATOM 0 HA3 GLY A 11 1.621 -2.135 22.118 1.00 74.25 H new ATOM 163 N HIS A 12 3.249 -4.265 20.544 1.00 54.11 N ATOM 164 CA HIS A 12 4.563 -4.829 20.215 1.00 44.43 C ATOM 165 C HIS A 12 4.735 -4.943 18.692 1.00 25.33 C ATOM 166 O HIS A 12 4.088 -5.773 18.051 1.00 61.13 O ATOM 167 CB HIS A 12 4.725 -6.214 20.861 1.00 71.53 C ATOM 168 CG HIS A 12 4.515 -6.221 22.346 1.00 30.32 C ATOM 169 ND1 HIS A 12 5.535 -6.046 23.254 1.00 43.31 N ATOM 170 CD2 HIS A 12 3.392 -6.400 23.083 1.00 41.01 C ATOM 171 CE1 HIS A 12 5.052 -6.118 24.477 1.00 74.22 C ATOM 172 NE2 HIS A 12 3.756 -6.330 24.403 1.00 2.13 N ATOM 0 H HIS A 12 2.496 -4.952 20.579 1.00 54.11 H new ATOM 0 HA HIS A 12 5.330 -4.161 20.607 1.00 44.43 H new ATOM 0 HB2 HIS A 12 4.017 -6.904 20.401 1.00 71.53 H new ATOM 0 HB3 HIS A 12 5.724 -6.591 20.644 1.00 71.53 H new ATOM 0 HD2 HIS A 12 2.395 -6.567 22.702 1.00 41.01 H new ATOM 0 HE1 HIS A 12 5.624 -6.020 25.388 1.00 74.22 H new ATOM 0 HE2 HIS A 12 3.125 -6.427 25.198 1.00 2.13 H new ATOM 181 N GLU A 13 5.589 -4.099 18.119 1.00 73.22 N ATOM 182 CA GLU A 13 5.834 -4.112 16.671 1.00 32.32 C ATOM 183 C GLU A 13 6.877 -5.176 16.283 1.00 3.22 C ATOM 184 O GLU A 13 7.960 -5.255 16.872 1.00 10.10 O ATOM 185 CB GLU A 13 6.271 -2.716 16.173 1.00 53.53 C ATOM 186 CG GLU A 13 7.646 -2.240 16.659 1.00 12.42 C ATOM 187 CD GLU A 13 7.741 -2.077 18.171 1.00 12.44 C ATOM 188 OE1 GLU A 13 6.924 -1.328 18.746 1.00 0.43 O ATOM 189 OE2 GLU A 13 8.630 -2.699 18.791 1.00 45.34 O ATOM 0 H GLU A 13 6.124 -3.397 18.630 1.00 73.22 H new ATOM 0 HA GLU A 13 4.895 -4.374 16.184 1.00 32.32 H new ATOM 0 HB2 GLU A 13 6.273 -2.723 15.083 1.00 53.53 H new ATOM 0 HB3 GLU A 13 5.523 -1.988 16.486 1.00 53.53 H new ATOM 0 HG2 GLU A 13 8.403 -2.952 16.331 1.00 12.42 H new ATOM 0 HG3 GLU A 13 7.879 -1.287 16.185 1.00 12.42 H new ATOM 196 N PHE A 14 6.537 -6.006 15.300 1.00 13.44 N ATOM 197 CA PHE A 14 7.440 -7.059 14.814 1.00 32.11 C ATOM 198 C PHE A 14 7.713 -6.914 13.305 1.00 30.13 C ATOM 199 O PHE A 14 6.792 -6.680 12.519 1.00 31.25 O ATOM 200 CB PHE A 14 6.840 -8.442 15.104 1.00 23.54 C ATOM 201 CG PHE A 14 6.593 -8.715 16.570 1.00 25.35 C ATOM 202 CD1 PHE A 14 7.655 -8.871 17.450 1.00 61.15 C ATOM 203 CD2 PHE A 14 5.300 -8.826 17.063 1.00 61.31 C ATOM 204 CE1 PHE A 14 7.432 -9.131 18.789 1.00 34.43 C ATOM 205 CE2 PHE A 14 5.072 -9.085 18.400 1.00 54.03 C ATOM 206 CZ PHE A 14 6.140 -9.238 19.265 1.00 72.24 C ATOM 0 H PHE A 14 5.638 -5.973 14.819 1.00 13.44 H new ATOM 0 HA PHE A 14 8.388 -6.956 15.341 1.00 32.11 H new ATOM 0 HB2 PHE A 14 5.898 -8.537 14.564 1.00 23.54 H new ATOM 0 HB3 PHE A 14 7.511 -9.206 14.712 1.00 23.54 H new ATOM 0 HD1 PHE A 14 8.668 -8.788 17.084 1.00 61.15 H new ATOM 0 HD2 PHE A 14 4.462 -8.708 16.392 1.00 61.31 H new ATOM 0 HE1 PHE A 14 8.268 -9.250 19.463 1.00 34.43 H new ATOM 0 HE2 PHE A 14 4.061 -9.168 18.770 1.00 54.03 H new ATOM 0 HZ PHE A 14 5.964 -9.441 20.311 1.00 72.24 H new ATOM 216 N ALA A 15 8.978 -7.066 12.905 1.00 2.10 N ATOM 217 CA ALA A 15 9.376 -6.915 11.496 1.00 74.45 C ATOM 218 C ALA A 15 8.667 -7.931 10.581 1.00 42.21 C ATOM 219 O ALA A 15 8.123 -7.568 9.534 1.00 20.04 O ATOM 220 CB ALA A 15 10.891 -7.040 11.364 1.00 15.10 C ATOM 0 H ALA A 15 9.747 -7.294 13.535 1.00 2.10 H new ATOM 0 HA ALA A 15 9.068 -5.922 11.170 1.00 74.45 H new ATOM 0 HB1 ALA A 15 11.176 -6.927 10.318 1.00 15.10 H new ATOM 0 HB2 ALA A 15 11.373 -6.263 11.957 1.00 15.10 H new ATOM 0 HB3 ALA A 15 11.208 -8.019 11.722 1.00 15.10 H new ATOM 226 N ARG A 16 8.678 -9.205 10.980 1.00 53.22 N ATOM 227 CA ARG A 16 7.982 -10.260 10.228 1.00 1.42 C ATOM 228 C ARG A 16 7.238 -11.225 11.165 1.00 40.42 C ATOM 229 O ARG A 16 7.363 -11.149 12.388 1.00 75.24 O ATOM 230 CB ARG A 16 8.953 -11.050 9.328 1.00 41.21 C ATOM 231 CG ARG A 16 10.127 -11.704 10.061 1.00 22.14 C ATOM 232 CD ARG A 16 11.281 -10.731 10.275 1.00 74.05 C ATOM 233 NE ARG A 16 11.811 -10.232 9.008 1.00 42.33 N ATOM 234 CZ ARG A 16 12.739 -9.322 8.902 1.00 41.14 C ATOM 235 NH1 ARG A 16 13.291 -8.812 9.953 1.00 42.33 N ATOM 236 NH2 ARG A 16 13.124 -8.940 7.732 1.00 72.21 N ATOM 0 H ARG A 16 9.159 -9.534 11.817 1.00 53.22 H new ATOM 0 HA ARG A 16 7.250 -9.760 9.593 1.00 1.42 H new ATOM 0 HB2 ARG A 16 8.392 -11.826 8.807 1.00 41.21 H new ATOM 0 HB3 ARG A 16 9.349 -10.377 8.567 1.00 41.21 H new ATOM 0 HG2 ARG A 16 9.787 -12.081 11.026 1.00 22.14 H new ATOM 0 HG3 ARG A 16 10.478 -12.563 9.489 1.00 22.14 H new ATOM 0 HD2 ARG A 16 10.941 -9.892 10.883 1.00 74.05 H new ATOM 0 HD3 ARG A 16 12.076 -11.227 10.832 1.00 74.05 H new ATOM 0 HE ARG A 16 11.429 -10.623 8.147 1.00 42.33 H new ATOM 0 HH11 ARG A 16 13.002 -9.120 10.881 1.00 42.33 H new ATOM 0 HH12 ARG A 16 14.016 -8.101 9.854 1.00 42.33 H new ATOM 0 HH21 ARG A 16 12.703 -9.349 6.898 1.00 72.21 H new ATOM 0 HH22 ARG A 16 13.849 -8.229 7.641 1.00 72.21 H new ATOM 250 N LYS A 17 6.471 -12.138 10.574 1.00 12.41 N ATOM 251 CA LYS A 17 5.668 -13.108 11.332 1.00 61.25 C ATOM 252 C LYS A 17 6.540 -13.967 12.262 1.00 71.43 C ATOM 253 O LYS A 17 6.146 -14.273 13.393 1.00 14.43 O ATOM 254 CB LYS A 17 4.910 -14.018 10.358 1.00 63.04 C ATOM 255 CG LYS A 17 3.901 -14.957 11.019 1.00 35.52 C ATOM 256 CD LYS A 17 2.539 -14.292 11.221 1.00 71.11 C ATOM 257 CE LYS A 17 1.497 -15.284 11.734 1.00 0.14 C ATOM 258 NZ LYS A 17 0.111 -14.770 11.580 1.00 24.24 N ATOM 0 H LYS A 17 6.385 -12.230 9.562 1.00 12.41 H new ATOM 0 HA LYS A 17 4.966 -12.550 11.951 1.00 61.25 H new ATOM 0 HB2 LYS A 17 4.386 -13.395 9.633 1.00 63.04 H new ATOM 0 HB3 LYS A 17 5.633 -14.615 9.802 1.00 63.04 H new ATOM 0 HG2 LYS A 17 3.780 -15.849 10.404 1.00 35.52 H new ATOM 0 HG3 LYS A 17 4.290 -15.285 11.983 1.00 35.52 H new ATOM 0 HD2 LYS A 17 2.637 -13.469 11.929 1.00 71.11 H new ATOM 0 HD3 LYS A 17 2.200 -13.863 10.278 1.00 71.11 H new ATOM 0 HE2 LYS A 17 1.596 -16.225 11.193 1.00 0.14 H new ATOM 0 HE3 LYS A 17 1.689 -15.499 12.785 1.00 0.14 H new ATOM 0 HZ1 LYS A 17 -0.229 -14.409 12.494 1.00 24.24 H new ATOM 0 HZ2 LYS A 17 0.101 -14.002 10.879 1.00 24.24 H new ATOM 0 HZ3 LYS A 17 -0.511 -15.539 11.259 1.00 24.24 H new ATOM 272 N ALA A 18 7.722 -14.353 11.773 1.00 33.43 N ATOM 273 CA ALA A 18 8.673 -15.162 12.551 1.00 72.44 C ATOM 274 C ALA A 18 8.951 -14.543 13.927 1.00 41.41 C ATOM 275 O ALA A 18 9.195 -15.257 14.901 1.00 23.21 O ATOM 276 CB ALA A 18 9.977 -15.336 11.776 1.00 11.22 C ATOM 0 H ALA A 18 8.047 -14.118 10.835 1.00 33.43 H new ATOM 0 HA ALA A 18 8.220 -16.140 12.714 1.00 72.44 H new ATOM 0 HB1 ALA A 18 10.672 -15.937 12.363 1.00 11.22 H new ATOM 0 HB2 ALA A 18 9.774 -15.838 10.830 1.00 11.22 H new ATOM 0 HB3 ALA A 18 10.418 -14.358 11.581 1.00 11.22 H new ATOM 282 N ASP A 19 8.906 -13.215 13.999 1.00 12.53 N ATOM 283 CA ASP A 19 9.075 -12.500 15.264 1.00 54.23 C ATOM 284 C ASP A 19 7.920 -12.793 16.235 1.00 15.45 C ATOM 285 O ASP A 19 8.143 -13.188 17.381 1.00 72.13 O ATOM 286 CB ASP A 19 9.162 -10.996 15.005 1.00 22.33 C ATOM 287 CG ASP A 19 10.479 -10.586 14.378 1.00 62.43 C ATOM 288 OD1 ASP A 19 11.536 -10.860 14.986 1.00 51.24 O ATOM 289 OD2 ASP A 19 10.467 -9.997 13.279 1.00 72.05 O ATOM 0 H ASP A 19 8.753 -12.609 13.193 1.00 12.53 H new ATOM 0 HA ASP A 19 10.000 -12.848 15.724 1.00 54.23 H new ATOM 0 HB2 ASP A 19 8.344 -10.696 14.350 1.00 22.33 H new ATOM 0 HB3 ASP A 19 9.030 -10.461 15.946 1.00 22.33 H new ATOM 294 N ALA A 20 6.689 -12.592 15.767 1.00 31.22 N ATOM 295 CA ALA A 20 5.497 -12.851 16.583 1.00 75.14 C ATOM 296 C ALA A 20 5.445 -14.315 17.050 1.00 44.34 C ATOM 297 O ALA A 20 5.129 -14.602 18.207 1.00 65.52 O ATOM 298 CB ALA A 20 4.237 -12.497 15.800 1.00 21.44 C ATOM 0 H ALA A 20 6.488 -12.251 14.827 1.00 31.22 H new ATOM 0 HA ALA A 20 5.552 -12.221 17.471 1.00 75.14 H new ATOM 0 HB1 ALA A 20 3.359 -12.693 16.415 1.00 21.44 H new ATOM 0 HB2 ALA A 20 4.262 -11.442 15.529 1.00 21.44 H new ATOM 0 HB3 ALA A 20 4.189 -13.103 14.895 1.00 21.44 H new ATOM 304 N LEU A 21 5.761 -15.234 16.136 1.00 71.34 N ATOM 305 CA LEU A 21 5.819 -16.666 16.459 1.00 41.13 C ATOM 306 C LEU A 21 6.909 -16.953 17.502 1.00 55.13 C ATOM 307 O LEU A 21 6.703 -17.737 18.428 1.00 50.11 O ATOM 308 CB LEU A 21 6.078 -17.496 15.190 1.00 0.21 C ATOM 309 CG LEU A 21 5.015 -17.364 14.085 1.00 54.24 C ATOM 310 CD1 LEU A 21 5.389 -18.205 12.867 1.00 54.01 C ATOM 311 CD2 LEU A 21 3.635 -17.764 14.605 1.00 33.31 C ATOM 0 H LEU A 21 5.981 -15.015 15.165 1.00 71.34 H new ATOM 0 HA LEU A 21 4.855 -16.951 16.879 1.00 41.13 H new ATOM 0 HB2 LEU A 21 7.044 -17.205 14.777 1.00 0.21 H new ATOM 0 HB3 LEU A 21 6.155 -18.546 15.473 1.00 0.21 H new ATOM 0 HG LEU A 21 4.977 -16.318 13.782 1.00 54.24 H new ATOM 0 HD11 LEU A 21 4.623 -18.095 12.100 1.00 54.01 H new ATOM 0 HD12 LEU A 21 6.348 -17.868 12.473 1.00 54.01 H new ATOM 0 HD13 LEU A 21 5.464 -19.253 13.158 1.00 54.01 H new ATOM 0 HD21 LEU A 21 2.901 -17.662 13.805 1.00 33.31 H new ATOM 0 HD22 LEU A 21 3.660 -18.799 14.945 1.00 33.31 H new ATOM 0 HD23 LEU A 21 3.358 -17.116 15.437 1.00 33.31 H new ATOM 323 N ALA A 22 8.066 -16.305 17.349 1.00 43.21 N ATOM 324 CA ALA A 22 9.174 -16.452 18.300 1.00 60.45 C ATOM 325 C ALA A 22 8.775 -15.975 19.704 1.00 72.25 C ATOM 326 O ALA A 22 9.024 -16.658 20.695 1.00 54.23 O ATOM 327 CB ALA A 22 10.398 -15.685 17.806 1.00 41.54 C ATOM 0 H ALA A 22 8.262 -15.671 16.574 1.00 43.21 H new ATOM 0 HA ALA A 22 9.421 -17.512 18.366 1.00 60.45 H new ATOM 0 HB1 ALA A 22 11.213 -15.802 18.520 1.00 41.54 H new ATOM 0 HB2 ALA A 22 10.706 -16.077 16.837 1.00 41.54 H new ATOM 0 HB3 ALA A 22 10.150 -14.628 17.708 1.00 41.54 H new ATOM 333 N PHE A 23 8.146 -14.802 19.777 1.00 5.33 N ATOM 334 CA PHE A 23 7.687 -14.250 21.055 1.00 71.11 C ATOM 335 C PHE A 23 6.717 -15.221 21.750 1.00 1.13 C ATOM 336 O PHE A 23 6.959 -15.650 22.881 1.00 43.22 O ATOM 337 CB PHE A 23 7.020 -12.882 20.839 1.00 40.23 C ATOM 338 CG PHE A 23 6.690 -12.154 22.123 1.00 12.13 C ATOM 339 CD1 PHE A 23 7.661 -11.411 22.782 1.00 34.21 C ATOM 340 CD2 PHE A 23 5.415 -12.210 22.668 1.00 63.21 C ATOM 341 CE1 PHE A 23 7.367 -10.743 23.954 1.00 62.34 C ATOM 342 CE2 PHE A 23 5.117 -11.544 23.841 1.00 63.33 C ATOM 343 CZ PHE A 23 6.094 -10.810 24.485 1.00 40.52 C ATOM 0 H PHE A 23 7.942 -14.215 18.968 1.00 5.33 H new ATOM 0 HA PHE A 23 8.554 -14.114 21.702 1.00 71.11 H new ATOM 0 HB2 PHE A 23 7.680 -12.257 20.238 1.00 40.23 H new ATOM 0 HB3 PHE A 23 6.104 -13.022 20.266 1.00 40.23 H new ATOM 0 HD1 PHE A 23 8.659 -11.355 22.372 1.00 34.21 H new ATOM 0 HD2 PHE A 23 4.646 -12.781 22.169 1.00 63.21 H new ATOM 0 HE1 PHE A 23 8.132 -10.169 24.455 1.00 62.34 H new ATOM 0 HE2 PHE A 23 4.121 -11.597 24.254 1.00 63.33 H new ATOM 0 HZ PHE A 23 5.863 -10.289 25.402 1.00 40.52 H new ATOM 353 N MET A 24 5.629 -15.570 21.058 1.00 73.32 N ATOM 354 CA MET A 24 4.662 -16.555 21.564 1.00 63.32 C ATOM 355 C MET A 24 5.327 -17.899 21.912 1.00 23.13 C ATOM 356 O MET A 24 4.920 -18.570 22.858 1.00 43.33 O ATOM 357 CB MET A 24 3.529 -16.773 20.551 1.00 23.20 C ATOM 358 CG MET A 24 2.587 -15.581 20.422 1.00 4.41 C ATOM 359 SD MET A 24 1.238 -15.871 19.258 1.00 22.55 S ATOM 360 CE MET A 24 2.143 -16.035 17.722 1.00 65.13 C ATOM 0 H MET A 24 5.393 -15.185 20.143 1.00 73.32 H new ATOM 0 HA MET A 24 4.246 -16.147 22.485 1.00 63.32 H new ATOM 0 HB2 MET A 24 3.963 -16.990 19.575 1.00 23.20 H new ATOM 0 HB3 MET A 24 2.953 -17.650 20.846 1.00 23.20 H new ATOM 0 HG2 MET A 24 2.170 -15.347 21.402 1.00 4.41 H new ATOM 0 HG3 MET A 24 3.156 -14.709 20.100 1.00 4.41 H new ATOM 0 HE1 MET A 24 1.441 -16.094 16.890 1.00 65.13 H new ATOM 0 HE2 MET A 24 2.792 -15.170 17.588 1.00 65.13 H new ATOM 0 HE3 MET A 24 2.748 -16.941 17.751 1.00 65.13 H new ATOM 370 N LYS A 25 6.349 -18.288 21.153 1.00 52.23 N ATOM 371 CA LYS A 25 7.082 -19.529 21.427 1.00 13.51 C ATOM 372 C LYS A 25 7.816 -19.456 22.777 1.00 45.02 C ATOM 373 O LYS A 25 7.660 -20.333 23.632 1.00 74.11 O ATOM 374 CB LYS A 25 8.085 -19.819 20.303 1.00 0.43 C ATOM 375 CG LYS A 25 8.800 -21.159 20.442 1.00 44.30 C ATOM 376 CD LYS A 25 7.842 -22.338 20.267 1.00 51.31 C ATOM 377 CE LYS A 25 8.541 -23.674 20.497 1.00 52.21 C ATOM 378 NZ LYS A 25 9.742 -23.832 19.637 1.00 52.45 N ATOM 0 H LYS A 25 6.690 -17.766 20.346 1.00 52.23 H new ATOM 0 HA LYS A 25 6.355 -20.340 21.475 1.00 13.51 H new ATOM 0 HB2 LYS A 25 7.561 -19.795 19.347 1.00 0.43 H new ATOM 0 HB3 LYS A 25 8.829 -19.022 20.279 1.00 0.43 H new ATOM 0 HG2 LYS A 25 9.596 -21.225 19.700 1.00 44.30 H new ATOM 0 HG3 LYS A 25 9.273 -21.218 21.422 1.00 44.30 H new ATOM 0 HD2 LYS A 25 7.011 -22.238 20.965 1.00 51.31 H new ATOM 0 HD3 LYS A 25 7.419 -22.317 19.263 1.00 51.31 H new ATOM 0 HE2 LYS A 25 8.832 -23.755 21.544 1.00 52.21 H new ATOM 0 HE3 LYS A 25 7.843 -24.487 20.297 1.00 52.21 H new ATOM 0 HZ1 LYS A 25 10.087 -24.811 19.699 1.00 52.45 H new ATOM 0 HZ2 LYS A 25 9.494 -23.614 18.651 1.00 52.45 H new ATOM 0 HZ3 LYS A 25 10.487 -23.181 19.958 1.00 52.45 H new ATOM 392 N VAL A 26 8.607 -18.400 22.962 1.00 14.35 N ATOM 393 CA VAL A 26 9.383 -18.209 24.193 1.00 22.25 C ATOM 394 C VAL A 26 8.470 -18.089 25.425 1.00 40.22 C ATOM 395 O VAL A 26 8.631 -18.825 26.397 1.00 2.32 O ATOM 396 CB VAL A 26 10.293 -16.957 24.096 1.00 11.03 C ATOM 397 CG1 VAL A 26 11.064 -16.736 25.396 1.00 31.14 C ATOM 398 CG2 VAL A 26 11.254 -17.076 22.914 1.00 64.12 C ATOM 0 H VAL A 26 8.730 -17.658 22.273 1.00 14.35 H new ATOM 0 HA VAL A 26 10.010 -19.093 24.310 1.00 22.25 H new ATOM 0 HB VAL A 26 9.653 -16.090 23.932 1.00 11.03 H new ATOM 0 HG11 VAL A 26 11.694 -15.852 25.300 1.00 31.14 H new ATOM 0 HG12 VAL A 26 10.361 -16.593 26.216 1.00 31.14 H new ATOM 0 HG13 VAL A 26 11.688 -17.606 25.601 1.00 31.14 H new ATOM 0 HG21 VAL A 26 11.883 -16.187 22.865 1.00 64.12 H new ATOM 0 HG22 VAL A 26 11.882 -17.958 23.043 1.00 64.12 H new ATOM 0 HG23 VAL A 26 10.684 -17.169 21.990 1.00 64.12 H new ATOM 408 N MET A 27 7.502 -17.170 25.373 1.00 23.24 N ATOM 409 CA MET A 27 6.558 -16.978 26.484 1.00 1.31 C ATOM 410 C MET A 27 5.828 -18.294 26.822 1.00 12.23 C ATOM 411 O MET A 27 5.611 -18.612 27.991 1.00 64.43 O ATOM 412 CB MET A 27 5.552 -15.867 26.135 1.00 14.44 C ATOM 413 CG MET A 27 4.625 -16.221 24.981 1.00 33.35 C ATOM 414 SD MET A 27 3.810 -14.788 24.247 1.00 51.52 S ATOM 415 CE MET A 27 2.838 -14.180 25.619 1.00 52.41 C ATOM 0 H MET A 27 7.349 -16.549 24.579 1.00 23.24 H new ATOM 0 HA MET A 27 7.120 -16.675 27.368 1.00 1.31 H new ATOM 0 HB2 MET A 27 4.951 -15.643 27.016 1.00 14.44 H new ATOM 0 HB3 MET A 27 6.100 -14.959 25.884 1.00 14.44 H new ATOM 0 HG2 MET A 27 5.198 -16.738 24.211 1.00 33.35 H new ATOM 0 HG3 MET A 27 3.866 -16.919 25.336 1.00 33.35 H new ATOM 0 HE1 MET A 27 2.269 -13.306 25.302 1.00 52.41 H new ATOM 0 HE2 MET A 27 2.152 -14.959 25.952 1.00 52.41 H new ATOM 0 HE3 MET A 27 3.500 -13.904 26.440 1.00 52.41 H new ATOM 425 N LEU A 28 5.485 -19.066 25.789 1.00 64.21 N ATOM 426 CA LEU A 28 4.842 -20.373 25.969 1.00 23.00 C ATOM 427 C LEU A 28 5.761 -21.348 26.723 1.00 52.23 C ATOM 428 O LEU A 28 5.341 -22.006 27.675 1.00 23.25 O ATOM 429 CB LEU A 28 4.470 -20.960 24.600 1.00 31.21 C ATOM 430 CG LEU A 28 3.761 -22.323 24.624 1.00 53.21 C ATOM 431 CD1 LEU A 28 2.443 -22.241 25.393 1.00 55.21 C ATOM 432 CD2 LEU A 28 3.526 -22.825 23.201 1.00 73.11 C ATOM 0 H LEU A 28 5.642 -18.809 24.814 1.00 64.21 H new ATOM 0 HA LEU A 28 3.940 -20.230 26.564 1.00 23.00 H new ATOM 0 HB2 LEU A 28 3.827 -20.247 24.083 1.00 31.21 H new ATOM 0 HB3 LEU A 28 5.380 -21.056 24.008 1.00 31.21 H new ATOM 0 HG LEU A 28 4.406 -23.034 25.140 1.00 53.21 H new ATOM 0 HD11 LEU A 28 1.961 -23.219 25.395 1.00 55.21 H new ATOM 0 HD12 LEU A 28 2.639 -21.931 26.419 1.00 55.21 H new ATOM 0 HD13 LEU A 28 1.787 -21.514 24.914 1.00 55.21 H new ATOM 0 HD21 LEU A 28 3.023 -23.791 23.235 1.00 73.11 H new ATOM 0 HD22 LEU A 28 2.904 -22.111 22.661 1.00 73.11 H new ATOM 0 HD23 LEU A 28 4.483 -22.932 22.690 1.00 73.11 H new ATOM 444 N ASN A 29 7.022 -21.423 26.295 1.00 41.44 N ATOM 445 CA ASN A 29 8.005 -22.312 26.927 1.00 71.30 C ATOM 446 C ASN A 29 8.490 -21.744 28.272 1.00 3.42 C ATOM 447 O ASN A 29 9.137 -22.441 29.059 1.00 73.23 O ATOM 448 CB ASN A 29 9.196 -22.548 25.985 1.00 40.33 C ATOM 449 CG ASN A 29 8.823 -23.339 24.735 1.00 54.33 C ATOM 450 OD1 ASN A 29 7.631 -23.133 24.216 1.00 14.14 O flip ATOM 451 ND2 ASN A 29 9.613 -24.128 24.227 1.00 61.43 N flip ATOM 0 H ASN A 29 7.389 -20.880 25.514 1.00 41.44 H new ATOM 0 HA ASN A 29 7.516 -23.266 27.124 1.00 71.30 H new ATOM 0 HB2 ASN A 29 9.613 -21.586 25.688 1.00 40.33 H new ATOM 0 HB3 ASN A 29 9.979 -23.081 26.525 1.00 40.33 H new ATOM 0 HD21 ASN A 29 10.531 -24.271 24.647 1.00 61.43 H new ATOM 0 HD22 ASN A 29 9.351 -24.641 23.385 1.00 61.43 H new ATOM 458 N ARG A 30 8.182 -20.471 28.518 1.00 5.25 N ATOM 459 CA ARG A 30 8.473 -19.820 29.800 1.00 61.23 C ATOM 460 C ARG A 30 7.474 -20.265 30.884 1.00 74.31 C ATOM 461 O ARG A 30 7.826 -20.380 32.059 1.00 51.44 O ATOM 462 CB ARG A 30 8.460 -18.292 29.607 1.00 32.24 C ATOM 463 CG ARG A 30 8.476 -17.465 30.897 1.00 52.42 C ATOM 464 CD ARG A 30 7.089 -16.924 31.237 1.00 53.40 C ATOM 465 NE ARG A 30 7.108 -16.053 32.408 1.00 54.30 N ATOM 466 CZ ARG A 30 6.309 -15.039 32.583 1.00 62.10 C ATOM 467 NH1 ARG A 30 5.458 -14.698 31.669 1.00 32.33 N ATOM 468 NH2 ARG A 30 6.385 -14.350 33.669 1.00 53.43 N ATOM 0 H ARG A 30 7.726 -19.862 27.839 1.00 5.25 H new ATOM 0 HA ARG A 30 9.464 -20.120 30.142 1.00 61.23 H new ATOM 0 HB2 ARG A 30 9.325 -18.012 29.005 1.00 32.24 H new ATOM 0 HB3 ARG A 30 7.572 -18.023 29.034 1.00 32.24 H new ATOM 0 HG2 ARG A 30 8.838 -18.081 31.720 1.00 52.42 H new ATOM 0 HG3 ARG A 30 9.174 -16.635 30.789 1.00 52.42 H new ATOM 0 HD2 ARG A 30 6.697 -16.372 30.383 1.00 53.40 H new ATOM 0 HD3 ARG A 30 6.410 -17.757 31.417 1.00 53.40 H new ATOM 0 HE ARG A 30 7.792 -16.251 33.138 1.00 54.30 H new ATOM 0 HH11 ARG A 30 5.407 -15.226 30.798 1.00 32.33 H new ATOM 0 HH12 ARG A 30 4.839 -13.902 31.820 1.00 32.33 H new ATOM 0 HH21 ARG A 30 7.067 -14.600 34.385 1.00 53.43 H new ATOM 0 HH22 ARG A 30 5.763 -13.555 33.813 1.00 53.43 H new ATOM 482 N TYR A 31 6.225 -20.509 30.488 1.00 13.21 N ATOM 483 CA TYR A 31 5.231 -21.098 31.395 1.00 25.04 C ATOM 484 C TYR A 31 5.351 -22.630 31.405 1.00 20.15 C ATOM 485 O TYR A 31 5.841 -23.235 30.449 1.00 23.22 O ATOM 486 CB TYR A 31 3.802 -20.696 30.990 1.00 52.14 C ATOM 487 CG TYR A 31 3.484 -19.223 31.184 1.00 55.31 C ATOM 488 CD1 TYR A 31 3.026 -18.742 32.409 1.00 25.52 C ATOM 489 CD2 TYR A 31 3.637 -18.314 30.144 1.00 24.42 C ATOM 490 CE1 TYR A 31 2.733 -17.403 32.585 1.00 71.31 C ATOM 491 CE2 TYR A 31 3.347 -16.975 30.313 1.00 64.15 C ATOM 492 CZ TYR A 31 2.895 -16.524 31.534 1.00 32.02 C ATOM 493 OH TYR A 31 2.616 -15.186 31.705 1.00 75.05 O ATOM 0 H TYR A 31 5.875 -20.310 29.551 1.00 13.21 H new ATOM 0 HA TYR A 31 5.430 -20.715 32.396 1.00 25.04 H new ATOM 0 HB2 TYR A 31 3.649 -20.953 29.942 1.00 52.14 H new ATOM 0 HB3 TYR A 31 3.093 -21.287 31.570 1.00 52.14 H new ATOM 0 HD1 TYR A 31 2.898 -19.427 33.234 1.00 25.52 H new ATOM 0 HD2 TYR A 31 3.990 -18.662 29.184 1.00 24.42 H new ATOM 0 HE1 TYR A 31 2.379 -17.046 33.541 1.00 71.31 H new ATOM 0 HE2 TYR A 31 3.474 -16.284 29.492 1.00 64.15 H new ATOM 0 HH TYR A 31 3.053 -14.668 30.998 1.00 75.05 H new ATOM 503 N ARG A 32 4.917 -23.254 32.493 1.00 31.23 N ATOM 504 CA ARG A 32 4.929 -24.718 32.598 1.00 55.15 C ATOM 505 C ARG A 32 3.624 -25.307 32.025 1.00 55.43 C ATOM 506 O ARG A 32 2.634 -24.588 31.877 1.00 74.32 O ATOM 507 CB ARG A 32 5.115 -25.152 34.067 1.00 63.41 C ATOM 508 CG ARG A 32 6.506 -24.878 34.648 1.00 3.32 C ATOM 509 CD ARG A 32 6.847 -23.388 34.703 1.00 54.45 C ATOM 510 NE ARG A 32 8.106 -23.142 35.401 1.00 35.53 N ATOM 511 CZ ARG A 32 8.807 -22.042 35.308 1.00 0.43 C ATOM 512 NH1 ARG A 32 8.446 -21.082 34.518 1.00 54.40 N ATOM 513 NH2 ARG A 32 9.888 -21.913 36.002 1.00 61.31 N ATOM 0 H ARG A 32 4.552 -22.775 33.317 1.00 31.23 H new ATOM 0 HA ARG A 32 5.768 -25.100 32.016 1.00 55.15 H new ATOM 0 HB2 ARG A 32 4.374 -24.639 34.679 1.00 63.41 H new ATOM 0 HB3 ARG A 32 4.908 -26.219 34.144 1.00 63.41 H new ATOM 0 HG2 ARG A 32 6.563 -25.296 35.653 1.00 3.32 H new ATOM 0 HG3 ARG A 32 7.254 -25.394 34.046 1.00 3.32 H new ATOM 0 HD2 ARG A 32 6.911 -22.993 33.689 1.00 54.45 H new ATOM 0 HD3 ARG A 32 6.043 -22.850 35.205 1.00 54.45 H new ATOM 0 HE ARG A 32 8.465 -23.882 36.005 1.00 35.53 H new ATOM 0 HH11 ARG A 32 7.601 -21.176 33.954 1.00 54.40 H new ATOM 0 HH12 ARG A 32 9.006 -20.232 34.460 1.00 54.40 H new ATOM 0 HH21 ARG A 32 10.191 -22.667 36.619 1.00 61.31 H new ATOM 0 HH22 ARG A 32 10.439 -21.057 35.934 1.00 61.31 H new ATOM 527 N PRO A 33 3.600 -26.616 31.682 1.00 74.33 N ATOM 528 CA PRO A 33 2.391 -27.279 31.144 1.00 54.14 C ATOM 529 C PRO A 33 1.279 -27.480 32.200 1.00 64.15 C ATOM 530 O PRO A 33 0.750 -28.583 32.372 1.00 31.01 O ATOM 531 CB PRO A 33 2.929 -28.626 30.639 1.00 41.44 C ATOM 532 CG PRO A 33 4.130 -28.892 31.479 1.00 34.12 C ATOM 533 CD PRO A 33 4.745 -27.548 31.768 1.00 73.25 C ATOM 0 HA PRO A 33 1.909 -26.678 30.373 1.00 54.14 H new ATOM 0 HB2 PRO A 33 2.186 -29.416 30.749 1.00 41.44 H new ATOM 0 HB3 PRO A 33 3.188 -28.578 29.581 1.00 41.44 H new ATOM 0 HG2 PRO A 33 3.854 -29.401 32.403 1.00 34.12 H new ATOM 0 HG3 PRO A 33 4.835 -29.539 30.957 1.00 34.12 H new ATOM 0 HD2 PRO A 33 5.209 -27.523 32.754 1.00 73.25 H new ATOM 0 HD3 PRO A 33 5.521 -27.298 31.044 1.00 73.25 H new ATOM 541 N GLY A 34 0.921 -26.399 32.883 1.00 31.44 N ATOM 542 CA GLY A 34 -0.153 -26.429 33.868 1.00 53.34 C ATOM 543 C GLY A 34 -0.356 -25.085 34.570 1.00 41.03 C ATOM 544 O GLY A 34 -0.930 -25.027 35.660 1.00 41.44 O ATOM 0 H GLY A 34 1.362 -25.486 32.771 1.00 31.44 H new ATOM 0 HA2 GLY A 34 -1.081 -26.720 33.377 1.00 53.34 H new ATOM 0 HA3 GLY A 34 0.066 -27.193 34.614 1.00 53.34 H new ATOM 548 N ASP A 35 0.095 -23.996 33.938 1.00 12.41 N ATOM 549 CA ASP A 35 0.034 -22.661 34.550 1.00 4.13 C ATOM 550 C ASP A 35 -0.987 -21.746 33.858 1.00 42.21 C ATOM 551 O ASP A 35 -1.389 -21.983 32.716 1.00 72.53 O ATOM 552 CB ASP A 35 1.414 -21.990 34.508 1.00 13.44 C ATOM 553 CG ASP A 35 2.462 -22.714 35.336 1.00 45.53 C ATOM 554 OD1 ASP A 35 2.093 -23.451 36.275 1.00 44.31 O ATOM 555 OD2 ASP A 35 3.666 -22.526 35.068 1.00 21.40 O ATOM 0 H ASP A 35 0.506 -24.011 33.005 1.00 12.41 H new ATOM 0 HA ASP A 35 -0.284 -22.805 35.583 1.00 4.13 H new ATOM 0 HB2 ASP A 35 1.752 -21.936 33.473 1.00 13.44 H new ATOM 0 HB3 ASP A 35 1.323 -20.965 34.867 1.00 13.44 H new ATOM 560 N ILE A 36 -1.391 -20.694 34.567 1.00 62.15 N ATOM 561 CA ILE A 36 -2.262 -19.655 34.009 1.00 33.23 C ATOM 562 C ILE A 36 -1.420 -18.520 33.407 1.00 64.02 C ATOM 563 O ILE A 36 -0.420 -18.099 33.993 1.00 10.43 O ATOM 564 CB ILE A 36 -3.196 -19.059 35.097 1.00 61.41 C ATOM 565 CG1 ILE A 36 -4.025 -20.163 35.770 1.00 53.42 C ATOM 566 CG2 ILE A 36 -4.112 -17.986 34.507 1.00 45.12 C ATOM 567 CD1 ILE A 36 -4.960 -20.893 34.831 1.00 11.12 C ATOM 0 H ILE A 36 -1.127 -20.536 35.539 1.00 62.15 H new ATOM 0 HA ILE A 36 -2.870 -20.121 33.234 1.00 33.23 H new ATOM 0 HB ILE A 36 -2.568 -18.590 35.855 1.00 61.41 H new ATOM 0 HG12 ILE A 36 -3.347 -20.885 36.225 1.00 53.42 H new ATOM 0 HG13 ILE A 36 -4.610 -19.722 36.578 1.00 53.42 H new ATOM 0 HG21 ILE A 36 -4.755 -17.586 35.291 1.00 45.12 H new ATOM 0 HG22 ILE A 36 -3.507 -17.182 34.088 1.00 45.12 H new ATOM 0 HG23 ILE A 36 -4.727 -18.425 33.721 1.00 45.12 H new ATOM 0 HD11 ILE A 36 -5.508 -21.656 35.384 1.00 11.12 H new ATOM 0 HD12 ILE A 36 -5.664 -20.184 34.395 1.00 11.12 H new ATOM 0 HD13 ILE A 36 -4.382 -21.366 34.037 1.00 11.12 H new ATOM 579 N VAL A 37 -1.823 -18.033 32.237 1.00 12.12 N ATOM 580 CA VAL A 37 -1.132 -16.917 31.585 1.00 12.04 C ATOM 581 C VAL A 37 -1.400 -15.585 32.315 1.00 45.23 C ATOM 582 O VAL A 37 -2.515 -15.329 32.780 1.00 51.44 O ATOM 583 CB VAL A 37 -1.561 -16.795 30.097 1.00 10.23 C ATOM 584 CG1 VAL A 37 -0.887 -15.603 29.421 1.00 4.31 C ATOM 585 CG2 VAL A 37 -1.253 -18.087 29.341 1.00 12.22 C ATOM 0 H VAL A 37 -2.625 -18.392 31.718 1.00 12.12 H new ATOM 0 HA VAL A 37 -0.063 -17.127 31.631 1.00 12.04 H new ATOM 0 HB VAL A 37 -2.638 -16.627 30.073 1.00 10.23 H new ATOM 0 HG11 VAL A 37 -1.208 -15.545 28.381 1.00 4.31 H new ATOM 0 HG12 VAL A 37 -1.167 -14.685 29.938 1.00 4.31 H new ATOM 0 HG13 VAL A 37 0.195 -15.726 29.460 1.00 4.31 H new ATOM 0 HG21 VAL A 37 -1.561 -17.982 28.301 1.00 12.22 H new ATOM 0 HG22 VAL A 37 -0.182 -18.288 29.384 1.00 12.22 H new ATOM 0 HG23 VAL A 37 -1.796 -18.914 29.798 1.00 12.22 H new ATOM 595 N SER A 38 -0.362 -14.752 32.430 1.00 74.45 N ATOM 596 CA SER A 38 -0.478 -13.433 33.078 1.00 21.40 C ATOM 597 C SER A 38 -1.443 -12.506 32.318 1.00 22.30 C ATOM 598 O SER A 38 -1.730 -12.720 31.140 1.00 20.24 O ATOM 599 CB SER A 38 0.899 -12.760 33.171 1.00 44.11 C ATOM 600 OG SER A 38 1.845 -13.588 33.834 1.00 64.34 O ATOM 0 H SER A 38 0.573 -14.964 32.083 1.00 74.45 H new ATOM 0 HA SER A 38 -0.877 -13.600 34.078 1.00 21.40 H new ATOM 0 HB2 SER A 38 1.259 -12.527 32.169 1.00 44.11 H new ATOM 0 HB3 SER A 38 0.806 -11.814 33.704 1.00 44.11 H new ATOM 0 HG SER A 38 2.221 -14.231 33.197 1.00 64.34 H new ATOM 606 N THR A 39 -1.923 -11.461 32.994 1.00 61.14 N ATOM 607 CA THR A 39 -2.870 -10.506 32.395 1.00 43.32 C ATOM 608 C THR A 39 -2.273 -9.802 31.162 1.00 34.22 C ATOM 609 O THR A 39 -2.907 -9.736 30.107 1.00 2.14 O ATOM 610 CB THR A 39 -3.324 -9.434 33.421 1.00 71.51 C ATOM 611 OG1 THR A 39 -3.861 -10.068 34.595 1.00 23.01 O ATOM 612 CG2 THR A 39 -4.378 -8.504 32.824 1.00 33.23 C ATOM 0 H THR A 39 -1.673 -11.250 33.960 1.00 61.14 H new ATOM 0 HA THR A 39 -3.735 -11.091 32.082 1.00 43.32 H new ATOM 0 HB THR A 39 -2.449 -8.841 33.689 1.00 71.51 H new ATOM 0 HG1 THR A 39 -4.143 -9.383 35.237 1.00 23.01 H new ATOM 0 HG21 THR A 39 -4.675 -7.765 33.568 1.00 33.23 H new ATOM 0 HG22 THR A 39 -3.964 -7.996 31.953 1.00 33.23 H new ATOM 0 HG23 THR A 39 -5.249 -9.086 32.524 1.00 33.23 H new ATOM 620 N VAL A 40 -1.050 -9.282 31.299 1.00 14.51 N ATOM 621 CA VAL A 40 -0.363 -8.605 30.185 1.00 44.03 C ATOM 622 C VAL A 40 -0.117 -9.569 29.011 1.00 23.13 C ATOM 623 O VAL A 40 -0.449 -9.271 27.860 1.00 63.01 O ATOM 624 CB VAL A 40 0.994 -8.006 30.637 1.00 3.13 C ATOM 625 CG1 VAL A 40 1.681 -7.278 29.482 1.00 23.23 C ATOM 626 CG2 VAL A 40 0.802 -7.073 31.831 1.00 31.40 C ATOM 0 H VAL A 40 -0.513 -9.314 32.166 1.00 14.51 H new ATOM 0 HA VAL A 40 -1.019 -7.798 29.857 1.00 44.03 H new ATOM 0 HB VAL A 40 1.640 -8.827 30.948 1.00 3.13 H new ATOM 0 HG11 VAL A 40 2.631 -6.867 29.825 1.00 23.23 H new ATOM 0 HG12 VAL A 40 1.862 -7.978 28.667 1.00 23.23 H new ATOM 0 HG13 VAL A 40 1.041 -6.469 29.130 1.00 23.23 H new ATOM 0 HG21 VAL A 40 1.766 -6.664 32.132 1.00 31.40 H new ATOM 0 HG22 VAL A 40 0.133 -6.259 31.553 1.00 31.40 H new ATOM 0 HG23 VAL A 40 0.369 -7.630 32.662 1.00 31.40 H new ATOM 636 N ASP A 41 0.478 -10.719 29.319 1.00 14.53 N ATOM 637 CA ASP A 41 0.710 -11.780 28.330 1.00 32.55 C ATOM 638 C ASP A 41 -0.610 -12.196 27.653 1.00 21.22 C ATOM 639 O ASP A 41 -0.661 -12.434 26.443 1.00 11.32 O ATOM 640 CB ASP A 41 1.357 -12.993 29.015 1.00 13.34 C ATOM 641 CG ASP A 41 2.682 -12.666 29.691 1.00 73.33 C ATOM 642 OD1 ASP A 41 2.766 -11.635 30.392 1.00 40.02 O ATOM 643 OD2 ASP A 41 3.633 -13.463 29.561 1.00 45.41 O ATOM 0 H ASP A 41 0.813 -10.945 30.255 1.00 14.53 H new ATOM 0 HA ASP A 41 1.381 -11.398 27.561 1.00 32.55 H new ATOM 0 HB2 ASP A 41 0.667 -13.393 29.758 1.00 13.34 H new ATOM 0 HB3 ASP A 41 1.518 -13.777 28.275 1.00 13.34 H new ATOM 648 N GLY A 42 -1.675 -12.276 28.449 1.00 53.30 N ATOM 649 CA GLY A 42 -2.998 -12.590 27.921 1.00 65.12 C ATOM 650 C GLY A 42 -3.502 -11.538 26.940 1.00 61.45 C ATOM 651 O GLY A 42 -4.057 -11.872 25.895 1.00 41.32 O ATOM 0 H GLY A 42 -1.646 -12.128 29.458 1.00 53.30 H new ATOM 0 HA2 GLY A 42 -2.966 -13.559 27.424 1.00 65.12 H new ATOM 0 HA3 GLY A 42 -3.703 -12.679 28.747 1.00 65.12 H new ATOM 655 N ALA A 43 -3.295 -10.262 27.274 1.00 40.42 N ATOM 656 CA ALA A 43 -3.667 -9.149 26.388 1.00 1.23 C ATOM 657 C ALA A 43 -3.015 -9.295 25.002 1.00 22.32 C ATOM 658 O ALA A 43 -3.616 -8.961 23.977 1.00 41.22 O ATOM 659 CB ALA A 43 -3.272 -7.819 27.023 1.00 23.41 C ATOM 0 H ALA A 43 -2.870 -9.970 28.154 1.00 40.42 H new ATOM 0 HA ALA A 43 -4.748 -9.172 26.252 1.00 1.23 H new ATOM 0 HB1 ALA A 43 -3.552 -7.001 26.359 1.00 23.41 H new ATOM 0 HB2 ALA A 43 -3.787 -7.704 27.977 1.00 23.41 H new ATOM 0 HB3 ALA A 43 -2.195 -7.800 27.188 1.00 23.41 H new ATOM 665 N PHE A 44 -1.781 -9.800 24.987 1.00 11.22 N ATOM 666 CA PHE A 44 -1.069 -10.094 23.738 1.00 11.13 C ATOM 667 C PHE A 44 -1.775 -11.222 22.967 1.00 42.23 C ATOM 668 O PHE A 44 -1.987 -11.126 21.758 1.00 21.24 O ATOM 669 CB PHE A 44 0.387 -10.487 24.046 1.00 75.21 C ATOM 670 CG PHE A 44 1.253 -10.678 22.824 1.00 23.34 C ATOM 671 CD1 PHE A 44 1.303 -11.901 22.167 1.00 51.34 C ATOM 672 CD2 PHE A 44 2.024 -9.633 22.338 1.00 42.12 C ATOM 673 CE1 PHE A 44 2.100 -12.073 21.054 1.00 24.23 C ATOM 674 CE2 PHE A 44 2.823 -9.801 21.224 1.00 61.43 C ATOM 675 CZ PHE A 44 2.861 -11.023 20.580 1.00 23.21 C ATOM 0 H PHE A 44 -1.249 -10.016 25.830 1.00 11.22 H new ATOM 0 HA PHE A 44 -1.071 -9.200 23.114 1.00 11.13 H new ATOM 0 HB2 PHE A 44 0.833 -9.717 24.676 1.00 75.21 H new ATOM 0 HB3 PHE A 44 0.387 -11.411 24.624 1.00 75.21 H new ATOM 0 HD1 PHE A 44 0.711 -12.727 22.532 1.00 51.34 H new ATOM 0 HD2 PHE A 44 1.999 -8.675 22.837 1.00 42.12 H new ATOM 0 HE1 PHE A 44 2.129 -13.029 20.553 1.00 24.23 H new ATOM 0 HE2 PHE A 44 3.418 -8.978 20.856 1.00 61.43 H new ATOM 0 HZ PHE A 44 3.484 -11.156 19.708 1.00 23.21 H new ATOM 685 N LEU A 45 -2.139 -12.285 23.683 1.00 44.22 N ATOM 686 CA LEU A 45 -2.847 -13.428 23.091 1.00 43.34 C ATOM 687 C LEU A 45 -4.224 -13.028 22.531 1.00 60.52 C ATOM 688 O LEU A 45 -4.643 -13.528 21.487 1.00 21.33 O ATOM 689 CB LEU A 45 -3.004 -14.542 24.134 1.00 23.01 C ATOM 690 CG LEU A 45 -1.698 -15.240 24.544 1.00 23.10 C ATOM 691 CD1 LEU A 45 -1.932 -16.181 25.720 1.00 1.23 C ATOM 692 CD2 LEU A 45 -1.105 -16.000 23.358 1.00 13.50 C ATOM 0 H LEU A 45 -1.955 -12.382 24.682 1.00 44.22 H new ATOM 0 HA LEU A 45 -2.248 -13.790 22.255 1.00 43.34 H new ATOM 0 HB2 LEU A 45 -3.468 -14.121 25.026 1.00 23.01 H new ATOM 0 HB3 LEU A 45 -3.691 -15.292 23.741 1.00 23.01 H new ATOM 0 HG LEU A 45 -0.986 -14.476 24.858 1.00 23.10 H new ATOM 0 HD11 LEU A 45 -0.993 -16.664 25.992 1.00 1.23 H new ATOM 0 HD12 LEU A 45 -2.308 -15.613 26.571 1.00 1.23 H new ATOM 0 HD13 LEU A 45 -2.662 -16.940 25.439 1.00 1.23 H new ATOM 0 HD21 LEU A 45 -0.180 -16.489 23.665 1.00 13.50 H new ATOM 0 HD22 LEU A 45 -1.816 -16.751 23.015 1.00 13.50 H new ATOM 0 HD23 LEU A 45 -0.895 -15.302 22.547 1.00 13.50 H new ATOM 704 N VAL A 46 -4.926 -12.133 23.229 1.00 50.44 N ATOM 705 CA VAL A 46 -6.217 -11.616 22.752 1.00 32.33 C ATOM 706 C VAL A 46 -6.055 -10.928 21.387 1.00 54.13 C ATOM 707 O VAL A 46 -6.809 -11.191 20.445 1.00 1.51 O ATOM 708 CB VAL A 46 -6.841 -10.611 23.756 1.00 31.12 C ATOM 709 CG1 VAL A 46 -8.159 -10.045 23.220 1.00 61.25 C ATOM 710 CG2 VAL A 46 -7.047 -11.267 25.120 1.00 51.24 C ATOM 0 H VAL A 46 -4.626 -11.750 24.125 1.00 50.44 H new ATOM 0 HA VAL A 46 -6.886 -12.471 22.656 1.00 32.33 H new ATOM 0 HB VAL A 46 -6.145 -9.781 23.878 1.00 31.12 H new ATOM 0 HG11 VAL A 46 -8.575 -9.344 23.943 1.00 61.25 H new ATOM 0 HG12 VAL A 46 -7.977 -9.529 22.277 1.00 61.25 H new ATOM 0 HG13 VAL A 46 -8.865 -10.859 23.057 1.00 61.25 H new ATOM 0 HG21 VAL A 46 -7.485 -10.545 25.809 1.00 51.24 H new ATOM 0 HG22 VAL A 46 -7.716 -12.121 25.016 1.00 51.24 H new ATOM 0 HG23 VAL A 46 -6.087 -11.604 25.510 1.00 51.24 H new ATOM 720 N GLU A 47 -5.057 -10.054 21.292 1.00 10.02 N ATOM 721 CA GLU A 47 -4.737 -9.378 20.034 1.00 45.41 C ATOM 722 C GLU A 47 -4.330 -10.384 18.950 1.00 45.43 C ATOM 723 O GLU A 47 -4.818 -10.326 17.817 1.00 5.20 O ATOM 724 CB GLU A 47 -3.618 -8.356 20.256 1.00 65.25 C ATOM 725 CG GLU A 47 -4.018 -7.200 21.158 1.00 75.21 C ATOM 726 CD GLU A 47 -5.162 -6.381 20.584 1.00 20.34 C ATOM 727 OE1 GLU A 47 -4.900 -5.522 19.718 1.00 62.43 O ATOM 728 OE2 GLU A 47 -6.319 -6.587 20.996 1.00 11.44 O ATOM 0 H GLU A 47 -4.453 -9.795 22.072 1.00 10.02 H new ATOM 0 HA GLU A 47 -5.632 -8.859 19.691 1.00 45.41 H new ATOM 0 HB2 GLU A 47 -2.756 -8.863 20.690 1.00 65.25 H new ATOM 0 HB3 GLU A 47 -3.303 -7.960 19.291 1.00 65.25 H new ATOM 0 HG2 GLU A 47 -4.308 -7.589 22.134 1.00 75.21 H new ATOM 0 HG3 GLU A 47 -3.156 -6.552 21.316 1.00 75.21 H new ATOM 735 N ALA A 48 -3.439 -11.306 19.304 1.00 24.43 N ATOM 736 CA ALA A 48 -3.024 -12.369 18.388 1.00 61.43 C ATOM 737 C ALA A 48 -4.234 -13.174 17.892 1.00 34.42 C ATOM 738 O ALA A 48 -4.304 -13.552 16.723 1.00 51.32 O ATOM 739 CB ALA A 48 -2.019 -13.288 19.072 1.00 63.51 C ATOM 0 H ALA A 48 -2.989 -11.340 20.219 1.00 24.43 H new ATOM 0 HA ALA A 48 -2.549 -11.907 17.522 1.00 61.43 H new ATOM 0 HB1 ALA A 48 -1.717 -14.075 18.381 1.00 63.51 H new ATOM 0 HB2 ALA A 48 -1.143 -12.712 19.370 1.00 63.51 H new ATOM 0 HB3 ALA A 48 -2.477 -13.735 19.954 1.00 63.51 H new ATOM 745 N LEU A 49 -5.189 -13.418 18.791 1.00 23.31 N ATOM 746 CA LEU A 49 -6.423 -14.138 18.457 1.00 52.14 C ATOM 747 C LEU A 49 -7.263 -13.358 17.427 1.00 54.14 C ATOM 748 O LEU A 49 -7.771 -13.936 16.463 1.00 60.11 O ATOM 749 CB LEU A 49 -7.242 -14.399 19.731 1.00 61.43 C ATOM 750 CG LEU A 49 -8.486 -15.287 19.555 1.00 54.41 C ATOM 751 CD1 LEU A 49 -8.100 -16.658 19.006 1.00 62.35 C ATOM 752 CD2 LEU A 49 -9.237 -15.430 20.880 1.00 23.43 C ATOM 0 H LEU A 49 -5.132 -13.125 19.766 1.00 23.31 H new ATOM 0 HA LEU A 49 -6.149 -15.093 18.009 1.00 52.14 H new ATOM 0 HB2 LEU A 49 -6.590 -14.862 20.471 1.00 61.43 H new ATOM 0 HB3 LEU A 49 -7.558 -13.440 20.140 1.00 61.43 H new ATOM 0 HG LEU A 49 -9.148 -14.806 18.835 1.00 54.41 H new ATOM 0 HD11 LEU A 49 -8.995 -17.269 18.890 1.00 62.35 H new ATOM 0 HD12 LEU A 49 -7.614 -16.539 18.038 1.00 62.35 H new ATOM 0 HD13 LEU A 49 -7.415 -17.147 19.698 1.00 62.35 H new ATOM 0 HD21 LEU A 49 -10.114 -16.061 20.735 1.00 23.43 H new ATOM 0 HD22 LEU A 49 -8.581 -15.884 21.623 1.00 23.43 H new ATOM 0 HD23 LEU A 49 -9.552 -14.446 21.228 1.00 23.43 H new ATOM 764 N LYS A 50 -7.392 -12.043 17.633 1.00 44.01 N ATOM 765 CA LYS A 50 -8.086 -11.166 16.675 1.00 62.20 C ATOM 766 C LYS A 50 -7.490 -11.295 15.262 1.00 24.01 C ATOM 767 O LYS A 50 -8.199 -11.198 14.262 1.00 34.12 O ATOM 768 CB LYS A 50 -8.002 -9.702 17.129 1.00 33.11 C ATOM 769 CG LYS A 50 -8.750 -9.403 18.424 1.00 1.35 C ATOM 770 CD LYS A 50 -8.565 -7.949 18.855 1.00 45.41 C ATOM 771 CE LYS A 50 -9.374 -7.612 20.103 1.00 22.43 C ATOM 772 NZ LYS A 50 -10.838 -7.741 19.873 1.00 65.00 N ATOM 0 H LYS A 50 -7.026 -11.560 18.453 1.00 44.01 H new ATOM 0 HA LYS A 50 -9.129 -11.479 16.643 1.00 62.20 H new ATOM 0 HB2 LYS A 50 -6.954 -9.433 17.258 1.00 33.11 H new ATOM 0 HB3 LYS A 50 -8.399 -9.065 16.338 1.00 33.11 H new ATOM 0 HG2 LYS A 50 -9.811 -9.611 18.289 1.00 1.35 H new ATOM 0 HG3 LYS A 50 -8.393 -10.065 19.213 1.00 1.35 H new ATOM 0 HD2 LYS A 50 -7.509 -7.760 19.047 1.00 45.41 H new ATOM 0 HD3 LYS A 50 -8.864 -7.289 18.041 1.00 45.41 H new ATOM 0 HE2 LYS A 50 -9.076 -8.273 20.917 1.00 22.43 H new ATOM 0 HE3 LYS A 50 -9.145 -6.594 20.419 1.00 22.43 H new ATOM 0 HZ1 LYS A 50 -11.353 -7.298 20.660 1.00 65.00 H new ATOM 0 HZ2 LYS A 50 -11.093 -7.268 18.983 1.00 65.00 H new ATOM 0 HZ3 LYS A 50 -11.093 -8.748 19.815 1.00 65.00 H new ATOM 786 N ARG A 51 -6.180 -11.526 15.193 1.00 74.30 N ATOM 787 CA ARG A 51 -5.473 -11.674 13.911 1.00 33.04 C ATOM 788 C ARG A 51 -5.612 -13.100 13.323 1.00 32.51 C ATOM 789 O ARG A 51 -4.691 -13.611 12.681 1.00 32.42 O ATOM 790 CB ARG A 51 -3.987 -11.293 14.087 1.00 41.25 C ATOM 791 CG ARG A 51 -3.665 -9.841 13.699 1.00 21.22 C ATOM 792 CD ARG A 51 -3.003 -9.051 14.830 1.00 72.42 C ATOM 793 NE ARG A 51 -3.957 -8.659 15.869 1.00 75.22 N ATOM 794 CZ ARG A 51 -3.829 -7.598 16.626 1.00 40.43 C ATOM 795 NH1 ARG A 51 -2.787 -6.831 16.530 1.00 14.33 N ATOM 796 NH2 ARG A 51 -4.748 -7.306 17.489 1.00 12.31 N ATOM 0 H ARG A 51 -5.579 -11.616 16.012 1.00 74.30 H new ATOM 0 HA ARG A 51 -5.937 -10.996 13.195 1.00 33.04 H new ATOM 0 HB2 ARG A 51 -3.702 -11.452 15.127 1.00 41.25 H new ATOM 0 HB3 ARG A 51 -3.376 -11.964 13.483 1.00 41.25 H new ATOM 0 HG2 ARG A 51 -3.007 -9.841 12.830 1.00 21.22 H new ATOM 0 HG3 ARG A 51 -4.585 -9.338 13.402 1.00 21.22 H new ATOM 0 HD2 ARG A 51 -2.212 -9.654 15.276 1.00 72.42 H new ATOM 0 HD3 ARG A 51 -2.531 -8.159 14.419 1.00 72.42 H new ATOM 0 HE ARG A 51 -4.775 -9.251 16.013 1.00 75.22 H new ATOM 0 HH11 ARG A 51 -2.052 -7.051 15.857 1.00 14.33 H new ATOM 0 HH12 ARG A 51 -2.703 -6.008 17.127 1.00 14.33 H new ATOM 0 HH21 ARG A 51 -5.571 -7.902 17.579 1.00 12.31 H new ATOM 0 HH22 ARG A 51 -4.649 -6.480 18.079 1.00 12.31 H new ATOM 810 N HIS A 52 -6.773 -13.727 13.529 1.00 53.52 N ATOM 811 CA HIS A 52 -7.087 -15.037 12.928 1.00 52.11 C ATOM 812 C HIS A 52 -8.370 -14.967 12.079 1.00 62.41 C ATOM 813 O HIS A 52 -9.306 -14.241 12.420 1.00 55.54 O ATOM 814 CB HIS A 52 -7.263 -16.111 14.015 1.00 74.35 C ATOM 815 CG HIS A 52 -5.985 -16.543 14.661 1.00 51.13 C ATOM 816 ND1 HIS A 52 -5.279 -17.656 14.259 1.00 60.11 N ATOM 817 CD2 HIS A 52 -5.292 -16.018 15.693 1.00 22.42 C ATOM 818 CE1 HIS A 52 -4.210 -17.796 15.015 1.00 34.42 C ATOM 819 NE2 HIS A 52 -4.194 -16.816 15.893 1.00 71.20 N ATOM 0 H HIS A 52 -7.520 -13.349 14.112 1.00 53.52 H new ATOM 0 HA HIS A 52 -6.248 -15.306 12.286 1.00 52.11 H new ATOM 0 HB2 HIS A 52 -7.934 -15.728 14.783 1.00 74.35 H new ATOM 0 HB3 HIS A 52 -7.747 -16.982 13.574 1.00 74.35 H new ATOM 0 HD2 HIS A 52 -5.553 -15.134 16.256 1.00 22.42 H new ATOM 0 HE1 HIS A 52 -3.473 -18.581 14.929 1.00 34.42 H new ATOM 0 HE2 HIS A 52 -3.480 -16.673 16.607 1.00 71.20 H new ATOM 828 N PRO A 53 -8.441 -15.729 10.966 1.00 62.25 N ATOM 829 CA PRO A 53 -9.660 -15.809 10.137 1.00 55.13 C ATOM 830 C PRO A 53 -10.796 -16.570 10.846 1.00 14.44 C ATOM 831 O PRO A 53 -11.958 -16.505 10.441 1.00 25.10 O ATOM 832 CB PRO A 53 -9.191 -16.568 8.886 1.00 70.24 C ATOM 833 CG PRO A 53 -8.028 -17.379 9.351 1.00 33.03 C ATOM 834 CD PRO A 53 -7.347 -16.560 10.418 1.00 70.01 C ATOM 0 HA PRO A 53 -10.075 -14.825 9.918 1.00 55.13 H new ATOM 0 HB2 PRO A 53 -9.983 -17.203 8.487 1.00 70.24 H new ATOM 0 HB3 PRO A 53 -8.902 -15.881 8.091 1.00 70.24 H new ATOM 0 HG2 PRO A 53 -8.356 -18.340 9.747 1.00 33.03 H new ATOM 0 HG3 PRO A 53 -7.346 -17.590 8.527 1.00 33.03 H new ATOM 0 HD2 PRO A 53 -6.900 -17.192 11.185 1.00 70.01 H new ATOM 0 HD3 PRO A 53 -6.546 -15.947 10.004 1.00 70.01 H new ATOM 842 N ASP A 54 -10.439 -17.305 11.899 1.00 35.42 N ATOM 843 CA ASP A 54 -11.413 -18.035 12.723 1.00 32.52 C ATOM 844 C ASP A 54 -11.721 -17.275 14.028 1.00 43.35 C ATOM 845 O ASP A 54 -12.322 -17.833 14.951 1.00 2.13 O ATOM 846 CB ASP A 54 -10.862 -19.422 13.068 1.00 31.10 C ATOM 847 CG ASP A 54 -10.504 -20.237 11.839 1.00 50.41 C ATOM 848 OD1 ASP A 54 -9.359 -20.110 11.354 1.00 14.33 O ATOM 849 OD2 ASP A 54 -11.364 -21.011 11.362 1.00 12.43 O ATOM 0 H ASP A 54 -9.473 -17.413 12.207 1.00 35.42 H new ATOM 0 HA ASP A 54 -12.335 -18.129 12.150 1.00 32.52 H new ATOM 0 HB2 ASP A 54 -9.977 -19.310 13.694 1.00 31.10 H new ATOM 0 HB3 ASP A 54 -11.602 -19.966 13.656 1.00 31.10 H new ATOM 854 N ALA A 55 -11.320 -16.000 14.088 1.00 65.45 N ATOM 855 CA ALA A 55 -11.432 -15.188 15.310 1.00 3.45 C ATOM 856 C ALA A 55 -12.813 -15.307 15.973 1.00 23.22 C ATOM 857 O ALA A 55 -12.918 -15.753 17.110 1.00 21.13 O ATOM 858 CB ALA A 55 -11.118 -13.725 15.003 1.00 64.43 C ATOM 0 H ALA A 55 -10.911 -15.502 13.297 1.00 65.45 H new ATOM 0 HA ALA A 55 -10.702 -15.577 16.020 1.00 3.45 H new ATOM 0 HB1 ALA A 55 -11.204 -13.135 15.915 1.00 64.43 H new ATOM 0 HB2 ALA A 55 -10.103 -13.645 14.614 1.00 64.43 H new ATOM 0 HB3 ALA A 55 -11.822 -13.350 14.260 1.00 64.43 H new ATOM 864 N THR A 56 -13.865 -14.935 15.246 1.00 5.01 N ATOM 865 CA THR A 56 -15.241 -14.965 15.782 1.00 2.35 C ATOM 866 C THR A 56 -15.577 -16.302 16.463 1.00 61.14 C ATOM 867 O THR A 56 -16.214 -16.329 17.516 1.00 33.11 O ATOM 868 CB THR A 56 -16.292 -14.689 14.674 1.00 64.42 C ATOM 869 OG1 THR A 56 -17.619 -14.734 15.225 1.00 4.25 O ATOM 870 CG2 THR A 56 -16.174 -15.697 13.530 1.00 31.54 C ATOM 0 H THR A 56 -13.799 -14.608 14.282 1.00 5.01 H new ATOM 0 HA THR A 56 -15.283 -14.173 16.530 1.00 2.35 H new ATOM 0 HB THR A 56 -16.099 -13.694 14.274 1.00 64.42 H new ATOM 0 HG1 THR A 56 -18.273 -14.557 14.517 1.00 4.25 H new ATOM 0 HG21 THR A 56 -16.924 -15.475 12.771 1.00 31.54 H new ATOM 0 HG22 THR A 56 -15.180 -15.631 13.088 1.00 31.54 H new ATOM 0 HG23 THR A 56 -16.334 -16.704 13.915 1.00 31.54 H new ATOM 878 N SER A 57 -15.116 -17.403 15.872 1.00 45.13 N ATOM 879 CA SER A 57 -15.392 -18.749 16.400 1.00 21.13 C ATOM 880 C SER A 57 -14.609 -19.029 17.691 1.00 62.43 C ATOM 881 O SER A 57 -15.124 -19.649 18.621 1.00 34.42 O ATOM 882 CB SER A 57 -15.049 -19.810 15.346 1.00 61.21 C ATOM 883 OG SER A 57 -15.233 -21.129 15.843 1.00 4.41 O ATOM 0 H SER A 57 -14.548 -17.395 15.025 1.00 45.13 H new ATOM 0 HA SER A 57 -16.455 -18.796 16.637 1.00 21.13 H new ATOM 0 HB2 SER A 57 -15.675 -19.663 14.466 1.00 61.21 H new ATOM 0 HB3 SER A 57 -14.015 -19.683 15.026 1.00 61.21 H new ATOM 0 HG SER A 57 -15.006 -21.777 15.143 1.00 4.41 H new ATOM 889 N LYS A 58 -13.358 -18.569 17.743 1.00 44.21 N ATOM 890 CA LYS A 58 -12.501 -18.776 18.922 1.00 65.20 C ATOM 891 C LYS A 58 -12.693 -17.671 19.977 1.00 30.33 C ATOM 892 O LYS A 58 -12.224 -17.794 21.109 1.00 51.40 O ATOM 893 CB LYS A 58 -11.020 -18.855 18.508 1.00 22.54 C ATOM 894 CG LYS A 58 -10.596 -20.194 17.893 1.00 54.33 C ATOM 895 CD LYS A 58 -11.295 -20.480 16.563 1.00 74.30 C ATOM 896 CE LYS A 58 -10.810 -21.782 15.932 1.00 21.12 C ATOM 897 NZ LYS A 58 -11.057 -22.955 16.809 1.00 31.55 N ATOM 0 H LYS A 58 -12.912 -18.051 16.986 1.00 44.21 H new ATOM 0 HA LYS A 58 -12.800 -19.722 19.373 1.00 65.20 H new ATOM 0 HB2 LYS A 58 -10.815 -18.060 17.791 1.00 22.54 H new ATOM 0 HB3 LYS A 58 -10.401 -18.661 19.384 1.00 22.54 H new ATOM 0 HG2 LYS A 58 -9.517 -20.193 17.739 1.00 54.33 H new ATOM 0 HG3 LYS A 58 -10.817 -20.998 18.595 1.00 54.33 H new ATOM 0 HD2 LYS A 58 -12.372 -20.534 16.723 1.00 74.30 H new ATOM 0 HD3 LYS A 58 -11.116 -19.654 15.874 1.00 74.30 H new ATOM 0 HE2 LYS A 58 -11.314 -21.931 14.977 1.00 21.12 H new ATOM 0 HE3 LYS A 58 -9.743 -21.706 15.721 1.00 21.12 H new ATOM 0 HZ1 LYS A 58 -10.854 -23.830 16.284 1.00 31.55 H new ATOM 0 HZ2 LYS A 58 -10.439 -22.901 17.643 1.00 31.55 H new ATOM 0 HZ3 LYS A 58 -12.051 -22.957 17.114 1.00 31.55 H new ATOM 911 N ILE A 59 -13.368 -16.586 19.606 1.00 22.42 N ATOM 912 CA ILE A 59 -13.654 -15.497 20.545 1.00 70.34 C ATOM 913 C ILE A 59 -15.032 -15.673 21.202 1.00 21.42 C ATOM 914 O ILE A 59 -15.137 -15.739 22.432 1.00 65.11 O ATOM 915 CB ILE A 59 -13.580 -14.105 19.858 1.00 5.12 C ATOM 916 CG1 ILE A 59 -12.150 -13.830 19.361 1.00 2.05 C ATOM 917 CG2 ILE A 59 -14.034 -13.001 20.815 1.00 50.11 C ATOM 918 CD1 ILE A 59 -11.993 -12.516 18.623 1.00 54.44 C ATOM 0 H ILE A 59 -13.728 -16.435 18.664 1.00 22.42 H new ATOM 0 HA ILE A 59 -12.884 -15.542 21.316 1.00 70.34 H new ATOM 0 HB ILE A 59 -14.253 -14.110 19.001 1.00 5.12 H new ATOM 0 HG12 ILE A 59 -11.472 -13.838 20.215 1.00 2.05 H new ATOM 0 HG13 ILE A 59 -11.843 -14.643 18.703 1.00 2.05 H new ATOM 0 HG21 ILE A 59 -13.974 -12.036 20.312 1.00 50.11 H new ATOM 0 HG22 ILE A 59 -15.063 -13.186 21.122 1.00 50.11 H new ATOM 0 HG23 ILE A 59 -13.389 -12.993 21.694 1.00 50.11 H new ATOM 0 HD11 ILE A 59 -10.957 -12.398 18.306 1.00 54.44 H new ATOM 0 HD12 ILE A 59 -12.643 -12.510 17.748 1.00 54.44 H new ATOM 0 HD13 ILE A 59 -12.266 -11.693 19.283 1.00 54.44 H new ATOM 930 N GLY A 60 -16.078 -15.751 20.379 1.00 40.30 N ATOM 931 CA GLY A 60 -17.441 -15.871 20.890 1.00 23.14 C ATOM 932 C GLY A 60 -17.871 -14.672 21.741 1.00 53.34 C ATOM 933 O GLY A 60 -17.775 -13.527 21.291 1.00 44.50 O ATOM 0 H GLY A 60 -16.007 -15.733 19.362 1.00 40.30 H new ATOM 0 HA2 GLY A 60 -18.129 -15.979 20.051 1.00 23.14 H new ATOM 0 HA3 GLY A 60 -17.520 -16.780 21.487 1.00 23.14 H new ATOM 937 N PRO A 61 -18.332 -14.901 22.987 1.00 44.03 N ATOM 938 CA PRO A 61 -18.781 -13.818 23.883 1.00 31.02 C ATOM 939 C PRO A 61 -17.620 -12.959 24.420 1.00 3.31 C ATOM 940 O PRO A 61 -17.820 -11.819 24.852 1.00 23.43 O ATOM 941 CB PRO A 61 -19.465 -14.576 25.028 1.00 12.21 C ATOM 942 CG PRO A 61 -18.773 -15.897 25.061 1.00 65.00 C ATOM 943 CD PRO A 61 -18.455 -16.229 23.625 1.00 53.21 C ATOM 0 HA PRO A 61 -19.428 -13.109 23.367 1.00 31.02 H new ATOM 0 HB2 PRO A 61 -19.358 -14.047 25.975 1.00 12.21 H new ATOM 0 HB3 PRO A 61 -20.534 -14.691 24.846 1.00 12.21 H new ATOM 0 HG2 PRO A 61 -17.865 -15.848 25.662 1.00 65.00 H new ATOM 0 HG3 PRO A 61 -19.409 -16.661 25.507 1.00 65.00 H new ATOM 0 HD2 PRO A 61 -17.532 -16.803 23.540 1.00 53.21 H new ATOM 0 HD3 PRO A 61 -19.244 -16.824 23.166 1.00 53.21 H new ATOM 951 N GLY A 62 -16.408 -13.510 24.398 1.00 21.32 N ATOM 952 CA GLY A 62 -15.243 -12.771 24.876 1.00 0.10 C ATOM 953 C GLY A 62 -14.148 -13.661 25.458 1.00 40.23 C ATOM 954 O GLY A 62 -14.346 -14.860 25.669 1.00 74.43 O ATOM 0 H GLY A 62 -16.209 -14.451 24.060 1.00 21.32 H new ATOM 0 HA2 GLY A 62 -14.828 -12.192 24.051 1.00 0.10 H new ATOM 0 HA3 GLY A 62 -15.563 -12.059 25.637 1.00 0.10 H new ATOM 958 N VAL A 63 -12.985 -13.069 25.715 1.00 3.34 N ATOM 959 CA VAL A 63 -11.845 -13.796 26.276 1.00 73.40 C ATOM 960 C VAL A 63 -11.834 -13.746 27.813 1.00 10.45 C ATOM 961 O VAL A 63 -11.857 -12.667 28.407 1.00 42.54 O ATOM 962 CB VAL A 63 -10.508 -13.222 25.745 1.00 51.31 C ATOM 963 CG1 VAL A 63 -9.323 -13.984 26.329 1.00 44.10 C ATOM 964 CG2 VAL A 63 -10.474 -13.249 24.216 1.00 42.14 C ATOM 0 H VAL A 63 -12.804 -12.080 25.543 1.00 3.34 H new ATOM 0 HA VAL A 63 -11.951 -14.834 25.961 1.00 73.40 H new ATOM 0 HB VAL A 63 -10.433 -12.183 26.065 1.00 51.31 H new ATOM 0 HG11 VAL A 63 -8.394 -13.564 25.943 1.00 44.10 H new ATOM 0 HG12 VAL A 63 -9.335 -13.899 27.416 1.00 44.10 H new ATOM 0 HG13 VAL A 63 -9.391 -15.035 26.047 1.00 44.10 H new ATOM 0 HG21 VAL A 63 -9.526 -12.841 23.866 1.00 42.14 H new ATOM 0 HG22 VAL A 63 -10.578 -14.277 23.868 1.00 42.14 H new ATOM 0 HG23 VAL A 63 -11.294 -12.648 23.823 1.00 42.14 H new ATOM 974 N ARG A 64 -11.798 -14.919 28.449 1.00 70.54 N ATOM 975 CA ARG A 64 -11.713 -15.001 29.913 1.00 34.32 C ATOM 976 C ARG A 64 -10.246 -15.125 30.372 1.00 73.01 C ATOM 977 O ARG A 64 -9.711 -14.221 31.018 1.00 41.42 O ATOM 978 CB ARG A 64 -12.545 -16.185 30.434 1.00 53.00 C ATOM 979 CG ARG A 64 -12.549 -16.305 31.954 1.00 14.21 C ATOM 980 CD ARG A 64 -13.344 -17.515 32.438 1.00 50.33 C ATOM 981 NE ARG A 64 -13.113 -17.779 33.858 1.00 62.10 N ATOM 982 CZ ARG A 64 -13.692 -18.734 34.536 1.00 73.23 C ATOM 983 NH1 ARG A 64 -14.606 -19.477 33.995 1.00 1.01 N ATOM 984 NH2 ARG A 64 -13.372 -18.926 35.773 1.00 52.42 N ATOM 0 H ARG A 64 -11.826 -15.823 27.978 1.00 70.54 H new ATOM 0 HA ARG A 64 -12.121 -14.081 30.331 1.00 34.32 H new ATOM 0 HB2 ARG A 64 -13.572 -16.079 30.083 1.00 53.00 H new ATOM 0 HB3 ARG A 64 -12.155 -17.109 30.006 1.00 53.00 H new ATOM 0 HG2 ARG A 64 -11.523 -16.380 32.313 1.00 14.21 H new ATOM 0 HG3 ARG A 64 -12.972 -15.398 32.387 1.00 14.21 H new ATOM 0 HD2 ARG A 64 -14.407 -17.344 32.267 1.00 50.33 H new ATOM 0 HD3 ARG A 64 -13.064 -18.392 31.854 1.00 50.33 H new ATOM 0 HE ARG A 64 -12.455 -17.177 34.353 1.00 62.10 H new ATOM 0 HH11 ARG A 64 -14.883 -19.320 33.026 1.00 1.01 H new ATOM 0 HH12 ARG A 64 -15.048 -20.218 34.538 1.00 1.01 H new ATOM 0 HH21 ARG A 64 -12.670 -18.333 36.216 1.00 52.42 H new ATOM 0 HH22 ARG A 64 -13.821 -19.670 36.306 1.00 52.42 H new ATOM 998 N ASN A 65 -9.601 -16.244 30.030 1.00 24.50 N ATOM 999 CA ASN A 65 -8.181 -16.463 30.358 1.00 33.14 C ATOM 1000 C ASN A 65 -7.540 -17.515 29.431 1.00 5.52 C ATOM 1001 O ASN A 65 -8.170 -17.987 28.482 1.00 41.34 O ATOM 1002 CB ASN A 65 -8.016 -16.865 31.838 1.00 53.31 C ATOM 1003 CG ASN A 65 -8.920 -18.013 32.258 1.00 12.34 C ATOM 1004 OD1 ASN A 65 -10.033 -17.803 32.720 1.00 22.12 O ATOM 1005 ND2 ASN A 65 -8.452 -19.232 32.118 1.00 40.25 N ATOM 0 H ASN A 65 -10.037 -17.016 29.525 1.00 24.50 H new ATOM 0 HA ASN A 65 -7.658 -15.520 30.197 1.00 33.14 H new ATOM 0 HB2 ASN A 65 -6.978 -17.146 32.017 1.00 53.31 H new ATOM 0 HB3 ASN A 65 -8.225 -16.000 32.467 1.00 53.31 H new ATOM 0 HD21 ASN A 65 -9.020 -20.032 32.397 1.00 40.25 H new ATOM 0 HD22 ASN A 65 -7.520 -19.379 31.730 1.00 40.25 H new ATOM 1012 N PHE A 66 -6.276 -17.853 29.697 1.00 33.55 N ATOM 1013 CA PHE A 66 -5.537 -18.839 28.890 1.00 23.22 C ATOM 1014 C PHE A 66 -4.703 -19.782 29.779 1.00 74.52 C ATOM 1015 O PHE A 66 -3.944 -19.325 30.640 1.00 41.55 O ATOM 1016 CB PHE A 66 -4.587 -18.133 27.904 1.00 13.23 C ATOM 1017 CG PHE A 66 -5.262 -17.295 26.843 1.00 72.24 C ATOM 1018 CD1 PHE A 66 -5.583 -15.964 27.082 1.00 40.21 C ATOM 1019 CD2 PHE A 66 -5.551 -17.831 25.595 1.00 61.34 C ATOM 1020 CE1 PHE A 66 -6.177 -15.193 26.102 1.00 41.04 C ATOM 1021 CE2 PHE A 66 -6.148 -17.063 24.614 1.00 52.43 C ATOM 1022 CZ PHE A 66 -6.460 -15.741 24.867 1.00 12.33 C ATOM 0 H PHE A 66 -5.737 -17.459 30.468 1.00 33.55 H new ATOM 0 HA PHE A 66 -6.278 -19.422 28.343 1.00 23.22 H new ATOM 0 HB2 PHE A 66 -3.910 -17.494 28.472 1.00 13.23 H new ATOM 0 HB3 PHE A 66 -3.975 -18.888 27.412 1.00 13.23 H new ATOM 0 HD1 PHE A 66 -5.365 -15.527 28.046 1.00 40.21 H new ATOM 0 HD2 PHE A 66 -5.306 -18.862 25.388 1.00 61.34 H new ATOM 0 HE1 PHE A 66 -6.420 -14.160 26.302 1.00 41.04 H new ATOM 0 HE2 PHE A 66 -6.371 -17.496 23.650 1.00 52.43 H new ATOM 0 HZ PHE A 66 -6.924 -15.138 24.101 1.00 12.33 H new ATOM 1032 N GLU A 67 -4.840 -21.090 29.563 1.00 63.35 N ATOM 1033 CA GLU A 67 -3.990 -22.082 30.238 1.00 72.54 C ATOM 1034 C GLU A 67 -2.852 -22.556 29.322 1.00 3.21 C ATOM 1035 O GLU A 67 -3.022 -22.667 28.108 1.00 53.12 O ATOM 1036 CB GLU A 67 -4.810 -23.303 30.705 1.00 1.02 C ATOM 1037 CG GLU A 67 -5.439 -23.160 32.093 1.00 32.34 C ATOM 1038 CD GLU A 67 -6.716 -22.336 32.103 1.00 11.42 C ATOM 1039 OE1 GLU A 67 -6.644 -21.112 31.896 1.00 1.10 O ATOM 1040 OE2 GLU A 67 -7.799 -22.919 32.340 1.00 15.41 O ATOM 0 H GLU A 67 -5.529 -21.491 28.927 1.00 63.35 H new ATOM 0 HA GLU A 67 -3.563 -21.589 31.111 1.00 72.54 H new ATOM 0 HB2 GLU A 67 -5.602 -23.490 29.980 1.00 1.02 H new ATOM 0 HB3 GLU A 67 -4.163 -24.180 30.703 1.00 1.02 H new ATOM 0 HG2 GLU A 67 -5.654 -24.153 32.489 1.00 32.34 H new ATOM 0 HG3 GLU A 67 -4.715 -22.699 32.765 1.00 32.34 H new ATOM 1047 N VAL A 68 -1.692 -22.833 29.910 1.00 13.24 N ATOM 1048 CA VAL A 68 -0.554 -23.380 29.163 1.00 14.23 C ATOM 1049 C VAL A 68 -0.352 -24.870 29.474 1.00 60.13 C ATOM 1050 O VAL A 68 -0.075 -25.241 30.613 1.00 55.43 O ATOM 1051 CB VAL A 68 0.756 -22.616 29.488 1.00 2.43 C ATOM 1052 CG1 VAL A 68 1.953 -23.243 28.770 1.00 23.45 C ATOM 1053 CG2 VAL A 68 0.619 -21.139 29.128 1.00 3.55 C ATOM 0 H VAL A 68 -1.511 -22.689 30.903 1.00 13.24 H new ATOM 0 HA VAL A 68 -0.784 -23.259 28.104 1.00 14.23 H new ATOM 0 HB VAL A 68 0.934 -22.693 30.561 1.00 2.43 H new ATOM 0 HG11 VAL A 68 2.857 -22.687 29.016 1.00 23.45 H new ATOM 0 HG12 VAL A 68 2.066 -24.279 29.088 1.00 23.45 H new ATOM 0 HG13 VAL A 68 1.789 -23.210 27.693 1.00 23.45 H new ATOM 0 HG21 VAL A 68 1.548 -20.620 29.363 1.00 3.55 H new ATOM 0 HG22 VAL A 68 0.409 -21.042 28.063 1.00 3.55 H new ATOM 0 HG23 VAL A 68 -0.198 -20.699 29.701 1.00 3.55 H new ATOM 1063 N ARG A 69 -0.503 -25.722 28.460 1.00 34.31 N ATOM 1064 CA ARG A 69 -0.256 -27.166 28.609 1.00 41.11 C ATOM 1065 C ARG A 69 0.537 -27.714 27.412 1.00 2.44 C ATOM 1066 O ARG A 69 0.910 -26.964 26.509 1.00 23.12 O ATOM 1067 CB ARG A 69 -1.579 -27.940 28.777 1.00 11.33 C ATOM 1068 CG ARG A 69 -2.340 -27.593 30.056 1.00 44.04 C ATOM 1069 CD ARG A 69 -3.543 -28.505 30.273 1.00 71.41 C ATOM 1070 NE ARG A 69 -4.260 -28.174 31.504 1.00 41.34 N ATOM 1071 CZ ARG A 69 -4.634 -29.048 32.404 1.00 70.02 C ATOM 1072 NH1 ARG A 69 -4.362 -30.307 32.260 1.00 14.25 N ATOM 1073 NH2 ARG A 69 -5.271 -28.652 33.460 1.00 73.43 N ATOM 0 H ARG A 69 -0.795 -25.442 27.524 1.00 34.31 H new ATOM 0 HA ARG A 69 0.340 -27.309 29.510 1.00 41.11 H new ATOM 0 HB2 ARG A 69 -2.219 -27.737 27.918 1.00 11.33 H new ATOM 0 HB3 ARG A 69 -1.367 -29.009 28.771 1.00 11.33 H new ATOM 0 HG2 ARG A 69 -1.667 -27.671 30.910 1.00 44.04 H new ATOM 0 HG3 ARG A 69 -2.675 -26.557 30.008 1.00 44.04 H new ATOM 0 HD2 ARG A 69 -4.221 -28.421 29.424 1.00 71.41 H new ATOM 0 HD3 ARG A 69 -3.210 -29.542 30.314 1.00 71.41 H new ATOM 0 HE ARG A 69 -4.484 -27.193 31.673 1.00 41.34 H new ATOM 0 HH11 ARG A 69 -3.851 -30.627 31.438 1.00 14.25 H new ATOM 0 HH12 ARG A 69 -4.659 -30.977 32.969 1.00 14.25 H new ATOM 0 HH21 ARG A 69 -5.480 -27.662 33.588 1.00 73.43 H new ATOM 0 HH22 ARG A 69 -5.564 -29.330 34.163 1.00 73.43 H new ATOM 1087 N SER A 70 0.801 -29.022 27.409 1.00 12.23 N ATOM 1088 CA SER A 70 1.588 -29.641 26.329 1.00 33.13 C ATOM 1089 C SER A 70 0.716 -29.942 25.103 1.00 25.40 C ATOM 1090 O SER A 70 -0.514 -29.957 25.185 1.00 65.24 O ATOM 1091 CB SER A 70 2.258 -30.940 26.808 1.00 1.23 C ATOM 1092 OG SER A 70 1.310 -31.984 26.977 1.00 20.22 O ATOM 0 H SER A 70 0.488 -29.671 28.131 1.00 12.23 H new ATOM 0 HA SER A 70 2.359 -28.924 26.045 1.00 33.13 H new ATOM 0 HB2 SER A 70 3.015 -31.248 26.086 1.00 1.23 H new ATOM 0 HB3 SER A 70 2.773 -30.758 27.752 1.00 1.23 H new ATOM 0 HG SER A 70 1.768 -32.796 27.280 1.00 20.22 H new ATOM 1098 N ALA A 71 1.364 -30.179 23.970 1.00 41.24 N ATOM 1099 CA ALA A 71 0.666 -30.515 22.726 1.00 64.32 C ATOM 1100 C ALA A 71 1.133 -31.873 22.190 1.00 13.01 C ATOM 1101 O ALA A 71 0.356 -32.825 22.104 1.00 22.24 O ATOM 1102 CB ALA A 71 0.898 -29.422 21.690 1.00 35.25 C ATOM 0 H ALA A 71 2.380 -30.145 23.882 1.00 41.24 H new ATOM 0 HA ALA A 71 -0.402 -30.584 22.933 1.00 64.32 H new ATOM 0 HB1 ALA A 71 0.376 -29.678 20.768 1.00 35.25 H new ATOM 0 HB2 ALA A 71 0.518 -28.474 22.070 1.00 35.25 H new ATOM 0 HB3 ALA A 71 1.966 -29.331 21.490 1.00 35.25 H new ATOM 1108 N ASP A 72 2.411 -31.951 21.833 1.00 43.52 N ATOM 1109 CA ASP A 72 3.023 -33.190 21.349 1.00 1.31 C ATOM 1110 C ASP A 72 4.073 -33.705 22.352 1.00 64.04 C ATOM 1111 O ASP A 72 4.023 -33.369 23.539 1.00 33.45 O ATOM 1112 CB ASP A 72 3.657 -32.943 19.974 1.00 2.13 C ATOM 1113 CG ASP A 72 2.633 -32.492 18.947 1.00 52.30 C ATOM 1114 OD1 ASP A 72 1.928 -33.362 18.390 1.00 24.12 O ATOM 1115 OD2 ASP A 72 2.515 -31.271 18.700 1.00 60.01 O ATOM 0 H ASP A 72 3.054 -31.160 21.870 1.00 43.52 H new ATOM 0 HA ASP A 72 2.253 -33.955 21.252 1.00 1.31 H new ATOM 0 HB2 ASP A 72 4.436 -32.186 20.065 1.00 2.13 H new ATOM 0 HB3 ASP A 72 4.139 -33.857 19.628 1.00 2.13 H new ATOM 1120 N TYR A 73 5.013 -34.521 21.876 1.00 73.43 N ATOM 1121 CA TYR A 73 6.054 -35.099 22.738 1.00 40.21 C ATOM 1122 C TYR A 73 6.878 -34.015 23.456 1.00 64.43 C ATOM 1123 O TYR A 73 7.054 -34.059 24.673 1.00 23.45 O ATOM 1124 CB TYR A 73 6.980 -36.002 21.912 1.00 4.42 C ATOM 1125 CG TYR A 73 6.254 -37.163 21.261 1.00 63.23 C ATOM 1126 CD1 TYR A 73 5.840 -38.250 22.018 1.00 10.52 C ATOM 1127 CD2 TYR A 73 5.977 -37.169 19.897 1.00 22.43 C ATOM 1128 CE1 TYR A 73 5.169 -39.307 21.443 1.00 74.34 C ATOM 1129 CE2 TYR A 73 5.308 -38.226 19.313 1.00 41.42 C ATOM 1130 CZ TYR A 73 4.905 -39.291 20.091 1.00 71.22 C ATOM 1131 OH TYR A 73 4.231 -40.345 19.517 1.00 54.14 O ATOM 0 H TYR A 73 5.078 -34.800 20.897 1.00 73.43 H new ATOM 0 HA TYR A 73 5.553 -35.691 23.504 1.00 40.21 H new ATOM 0 HB2 TYR A 73 7.465 -35.405 21.139 1.00 4.42 H new ATOM 0 HB3 TYR A 73 7.769 -36.390 22.557 1.00 4.42 H new ATOM 0 HD1 TYR A 73 6.048 -38.268 23.078 1.00 10.52 H new ATOM 0 HD2 TYR A 73 6.290 -36.335 19.287 1.00 22.43 H new ATOM 0 HE1 TYR A 73 4.852 -40.143 22.049 1.00 74.34 H new ATOM 0 HE2 TYR A 73 5.101 -38.219 18.253 1.00 41.42 H new ATOM 0 HH TYR A 73 4.123 -40.180 18.557 1.00 54.14 H new ATOM 1141 N GLY A 74 7.381 -33.045 22.697 1.00 21.53 N ATOM 1142 CA GLY A 74 8.181 -31.971 23.282 1.00 12.22 C ATOM 1143 C GLY A 74 7.699 -30.577 22.890 1.00 40.40 C ATOM 1144 O GLY A 74 8.505 -29.663 22.712 1.00 11.30 O ATOM 0 H GLY A 74 7.252 -32.979 21.687 1.00 21.53 H new ATOM 0 HA2 GLY A 74 8.161 -32.063 24.368 1.00 12.22 H new ATOM 0 HA3 GLY A 74 9.219 -32.090 22.971 1.00 12.22 H new ATOM 1148 N THR A 75 6.383 -30.410 22.755 1.00 51.20 N ATOM 1149 CA THR A 75 5.797 -29.109 22.391 1.00 0.33 C ATOM 1150 C THR A 75 4.697 -28.690 23.375 1.00 35.02 C ATOM 1151 O THR A 75 4.112 -29.525 24.068 1.00 53.34 O ATOM 1152 CB THR A 75 5.188 -29.121 20.965 1.00 14.20 C ATOM 1153 OG1 THR A 75 4.079 -30.025 20.911 1.00 33.24 O ATOM 1154 CG2 THR A 75 6.221 -29.523 19.919 1.00 5.24 C ATOM 0 H THR A 75 5.699 -31.155 22.891 1.00 51.20 H new ATOM 0 HA THR A 75 6.620 -28.395 22.427 1.00 0.33 H new ATOM 0 HB THR A 75 4.850 -28.109 20.742 1.00 14.20 H new ATOM 0 HG1 THR A 75 3.795 -30.139 19.980 1.00 33.24 H new ATOM 0 HG21 THR A 75 5.759 -29.521 18.932 1.00 5.24 H new ATOM 0 HG22 THR A 75 7.049 -28.814 19.934 1.00 5.24 H new ATOM 0 HG23 THR A 75 6.595 -30.522 20.142 1.00 5.24 H new ATOM 1162 N GLN A 76 4.419 -27.390 23.424 1.00 3.25 N ATOM 1163 CA GLN A 76 3.363 -26.834 24.284 1.00 54.35 C ATOM 1164 C GLN A 76 2.292 -26.122 23.441 1.00 32.42 C ATOM 1165 O GLN A 76 2.422 -26.015 22.222 1.00 54.42 O ATOM 1166 CB GLN A 76 3.971 -25.857 25.301 1.00 20.23 C ATOM 1167 CG GLN A 76 4.827 -26.519 26.373 1.00 55.52 C ATOM 1168 CD GLN A 76 5.636 -25.514 27.178 1.00 54.33 C ATOM 1169 OE1 GLN A 76 6.782 -25.225 26.855 1.00 34.31 O ATOM 1170 NE2 GLN A 76 5.036 -24.950 28.208 1.00 54.53 N ATOM 0 H GLN A 76 4.914 -26.689 22.873 1.00 3.25 H new ATOM 0 HA GLN A 76 2.888 -27.655 24.820 1.00 54.35 H new ATOM 0 HB2 GLN A 76 4.579 -25.127 24.767 1.00 20.23 H new ATOM 0 HB3 GLN A 76 3.164 -25.307 25.785 1.00 20.23 H new ATOM 0 HG2 GLN A 76 4.185 -27.086 27.047 1.00 55.52 H new ATOM 0 HG3 GLN A 76 5.504 -27.232 25.903 1.00 55.52 H new ATOM 0 HE21 GLN A 76 4.081 -25.214 28.449 1.00 54.53 H new ATOM 0 HE22 GLN A 76 5.527 -24.250 28.763 1.00 54.53 H new ATOM 1179 N CYS A 77 1.240 -25.628 24.094 1.00 74.34 N ATOM 1180 CA CYS A 77 0.146 -24.935 23.392 1.00 71.33 C ATOM 1181 C CYS A 77 -0.680 -24.059 24.344 1.00 13.13 C ATOM 1182 O CYS A 77 -0.861 -24.392 25.518 1.00 62.21 O ATOM 1183 CB CYS A 77 -0.778 -25.951 22.705 1.00 41.41 C ATOM 1184 SG CYS A 77 -2.198 -25.219 21.854 1.00 32.11 S ATOM 0 H CYS A 77 1.117 -25.692 25.105 1.00 74.34 H new ATOM 0 HA CYS A 77 0.604 -24.288 22.644 1.00 71.33 H new ATOM 0 HB2 CYS A 77 -0.195 -26.524 21.984 1.00 41.41 H new ATOM 0 HB3 CYS A 77 -1.142 -26.655 23.453 1.00 41.41 H new ATOM 0 HG CYS A 77 -2.836 -24.434 22.671 1.00 32.11 H new ATOM 1190 N PHE A 78 -1.171 -22.931 23.828 1.00 64.23 N ATOM 1191 CA PHE A 78 -2.078 -22.058 24.583 1.00 44.35 C ATOM 1192 C PHE A 78 -3.524 -22.563 24.487 1.00 32.35 C ATOM 1193 O PHE A 78 -3.980 -22.969 23.416 1.00 42.40 O ATOM 1194 CB PHE A 78 -2.012 -20.614 24.060 1.00 43.35 C ATOM 1195 CG PHE A 78 -0.681 -19.933 24.256 1.00 21.13 C ATOM 1196 CD1 PHE A 78 -0.311 -19.452 25.506 1.00 0.13 C ATOM 1197 CD2 PHE A 78 0.194 -19.759 23.192 1.00 44.21 C ATOM 1198 CE1 PHE A 78 0.903 -18.817 25.688 1.00 51.33 C ATOM 1199 CE2 PHE A 78 1.407 -19.123 23.369 1.00 64.30 C ATOM 1200 CZ PHE A 78 1.762 -18.651 24.618 1.00 25.54 C ATOM 0 H PHE A 78 -0.956 -22.598 22.888 1.00 64.23 H new ATOM 0 HA PHE A 78 -1.758 -22.076 25.625 1.00 44.35 H new ATOM 0 HB2 PHE A 78 -2.251 -20.616 22.996 1.00 43.35 H new ATOM 0 HB3 PHE A 78 -2.783 -20.026 24.558 1.00 43.35 H new ATOM 0 HD1 PHE A 78 -0.980 -19.576 26.345 1.00 0.13 H new ATOM 0 HD2 PHE A 78 -0.078 -20.126 22.213 1.00 44.21 H new ATOM 0 HE1 PHE A 78 1.180 -18.451 26.665 1.00 51.33 H new ATOM 0 HE2 PHE A 78 2.077 -18.995 22.532 1.00 64.30 H new ATOM 0 HZ PHE A 78 2.710 -18.153 24.758 1.00 25.54 H new ATOM 1210 N TRP A 79 -4.241 -22.543 25.604 1.00 63.40 N ATOM 1211 CA TRP A 79 -5.644 -22.963 25.626 1.00 22.55 C ATOM 1212 C TRP A 79 -6.596 -21.761 25.718 1.00 71.21 C ATOM 1213 O TRP A 79 -6.523 -20.956 26.646 1.00 60.30 O ATOM 1214 CB TRP A 79 -5.886 -23.947 26.776 1.00 2.33 C ATOM 1215 CG TRP A 79 -5.275 -25.295 26.514 1.00 74.02 C ATOM 1216 CD1 TRP A 79 -3.964 -25.647 26.655 1.00 61.32 C ATOM 1217 CD2 TRP A 79 -5.957 -26.466 26.050 1.00 70.34 C ATOM 1218 NE1 TRP A 79 -3.790 -26.963 26.298 1.00 51.53 N ATOM 1219 CE2 TRP A 79 -4.998 -27.487 25.927 1.00 53.30 C ATOM 1220 CE3 TRP A 79 -7.289 -26.749 25.728 1.00 41.53 C ATOM 1221 CZ2 TRP A 79 -5.326 -28.770 25.494 1.00 64.42 C ATOM 1222 CZ3 TRP A 79 -7.613 -28.023 25.298 1.00 24.51 C ATOM 1223 CH2 TRP A 79 -6.635 -29.020 25.185 1.00 70.23 C ATOM 0 H TRP A 79 -3.878 -22.241 26.508 1.00 63.40 H new ATOM 0 HA TRP A 79 -5.857 -23.469 24.684 1.00 22.55 H new ATOM 0 HB2 TRP A 79 -5.471 -23.536 27.696 1.00 2.33 H new ATOM 0 HB3 TRP A 79 -6.959 -24.061 26.933 1.00 2.33 H new ATOM 0 HD1 TRP A 79 -3.179 -24.989 26.997 1.00 61.32 H new ATOM 0 HE1 TRP A 79 -2.903 -27.467 26.308 1.00 51.53 H new ATOM 0 HE3 TRP A 79 -8.050 -25.987 25.814 1.00 41.53 H new ATOM 0 HZ2 TRP A 79 -4.574 -29.540 25.405 1.00 64.42 H new ATOM 0 HZ3 TRP A 79 -8.637 -28.253 25.045 1.00 24.51 H new ATOM 0 HH2 TRP A 79 -6.920 -30.005 24.847 1.00 70.23 H new ATOM 1234 N ILE A 80 -7.484 -21.654 24.734 1.00 42.43 N ATOM 1235 CA ILE A 80 -8.435 -20.544 24.640 1.00 1.12 C ATOM 1236 C ILE A 80 -9.653 -20.752 25.560 1.00 51.10 C ATOM 1237 O ILE A 80 -10.637 -21.387 25.176 1.00 64.02 O ATOM 1238 CB ILE A 80 -8.930 -20.374 23.178 1.00 51.40 C ATOM 1239 CG1 ILE A 80 -7.741 -20.266 22.210 1.00 53.42 C ATOM 1240 CG2 ILE A 80 -9.837 -19.153 23.050 1.00 41.25 C ATOM 1241 CD1 ILE A 80 -8.147 -20.161 20.753 1.00 4.55 C ATOM 0 H ILE A 80 -7.567 -22.333 23.978 1.00 42.43 H new ATOM 0 HA ILE A 80 -7.907 -19.646 24.961 1.00 1.12 H new ATOM 0 HB ILE A 80 -9.509 -21.259 22.913 1.00 51.40 H new ATOM 0 HG12 ILE A 80 -7.146 -19.392 22.476 1.00 53.42 H new ATOM 0 HG13 ILE A 80 -7.100 -21.139 22.337 1.00 53.42 H new ATOM 0 HG21 ILE A 80 -10.171 -19.055 22.017 1.00 41.25 H new ATOM 0 HG22 ILE A 80 -10.703 -19.273 23.702 1.00 41.25 H new ATOM 0 HG23 ILE A 80 -9.286 -18.258 23.340 1.00 41.25 H new ATOM 0 HD11 ILE A 80 -7.255 -20.088 20.131 1.00 4.55 H new ATOM 0 HD12 ILE A 80 -8.716 -21.046 20.469 1.00 4.55 H new ATOM 0 HD13 ILE A 80 -8.762 -19.273 20.610 1.00 4.55 H new ATOM 1253 N LEU A 81 -9.582 -20.221 26.779 1.00 71.53 N ATOM 1254 CA LEU A 81 -10.715 -20.286 27.713 1.00 65.33 C ATOM 1255 C LEU A 81 -11.741 -19.185 27.411 1.00 10.42 C ATOM 1256 O LEU A 81 -11.434 -17.989 27.476 1.00 5.42 O ATOM 1257 CB LEU A 81 -10.241 -20.181 29.174 1.00 41.15 C ATOM 1258 CG LEU A 81 -9.640 -21.466 29.777 1.00 64.35 C ATOM 1259 CD1 LEU A 81 -10.683 -22.580 29.829 1.00 63.43 C ATOM 1260 CD2 LEU A 81 -8.406 -21.920 29.000 1.00 54.34 C ATOM 0 H LEU A 81 -8.759 -19.743 27.146 1.00 71.53 H new ATOM 0 HA LEU A 81 -11.194 -21.255 27.577 1.00 65.33 H new ATOM 0 HB2 LEU A 81 -9.495 -19.388 29.238 1.00 41.15 H new ATOM 0 HB3 LEU A 81 -11.087 -19.874 29.790 1.00 41.15 H new ATOM 0 HG LEU A 81 -9.328 -21.239 30.796 1.00 64.35 H new ATOM 0 HD11 LEU A 81 -10.236 -23.477 30.258 1.00 63.43 H new ATOM 0 HD12 LEU A 81 -11.524 -22.263 30.446 1.00 63.43 H new ATOM 0 HD13 LEU A 81 -11.034 -22.797 28.820 1.00 63.43 H new ATOM 0 HD21 LEU A 81 -8.006 -22.828 29.451 1.00 54.34 H new ATOM 0 HD22 LEU A 81 -8.681 -22.119 27.964 1.00 54.34 H new ATOM 0 HD23 LEU A 81 -7.649 -21.137 29.030 1.00 54.34 H new ATOM 1272 N ARG A 82 -12.953 -19.598 27.055 1.00 60.24 N ATOM 1273 CA ARG A 82 -14.042 -18.656 26.764 1.00 44.11 C ATOM 1274 C ARG A 82 -14.788 -18.258 28.042 1.00 74.41 C ATOM 1275 O ARG A 82 -14.754 -18.979 29.040 1.00 41.21 O ATOM 1276 CB ARG A 82 -15.030 -19.272 25.760 1.00 22.51 C ATOM 1277 CG ARG A 82 -14.403 -19.697 24.428 1.00 55.41 C ATOM 1278 CD ARG A 82 -13.747 -18.527 23.696 1.00 4.24 C ATOM 1279 NE ARG A 82 -12.520 -18.083 24.357 1.00 22.23 N ATOM 1280 CZ ARG A 82 -12.023 -16.882 24.262 1.00 22.23 C ATOM 1281 NH1 ARG A 82 -12.643 -15.965 23.592 1.00 52.22 N ATOM 1282 NH2 ARG A 82 -10.913 -16.598 24.864 1.00 24.10 N ATOM 0 H ARG A 82 -13.212 -20.580 26.959 1.00 60.24 H new ATOM 0 HA ARG A 82 -13.598 -17.760 26.330 1.00 44.11 H new ATOM 0 HB2 ARG A 82 -15.500 -20.142 26.219 1.00 22.51 H new ATOM 0 HB3 ARG A 82 -15.822 -18.550 25.560 1.00 22.51 H new ATOM 0 HG2 ARG A 82 -13.658 -20.472 24.610 1.00 55.41 H new ATOM 0 HG3 ARG A 82 -15.171 -20.136 23.791 1.00 55.41 H new ATOM 0 HD2 ARG A 82 -13.520 -18.822 22.672 1.00 4.24 H new ATOM 0 HD3 ARG A 82 -14.449 -17.695 23.640 1.00 4.24 H new ATOM 0 HE ARG A 82 -12.019 -18.760 24.932 1.00 22.23 H new ATOM 0 HH11 ARG A 82 -13.528 -16.179 23.133 1.00 52.22 H new ATOM 0 HH12 ARG A 82 -12.247 -15.028 23.523 1.00 52.22 H new ATOM 0 HH21 ARG A 82 -10.431 -17.313 25.410 1.00 24.10 H new ATOM 0 HH22 ARG A 82 -10.520 -15.660 24.793 1.00 24.10 H new ATOM 1296 N THR A 83 -15.473 -17.114 28.006 1.00 35.41 N ATOM 1297 CA THR A 83 -16.300 -16.681 29.143 1.00 73.01 C ATOM 1298 C THR A 83 -17.471 -17.646 29.374 1.00 10.01 C ATOM 1299 O THR A 83 -18.105 -17.626 30.427 1.00 70.34 O ATOM 1300 CB THR A 83 -16.851 -15.249 28.952 1.00 4.41 C ATOM 1301 OG1 THR A 83 -17.641 -15.182 27.759 1.00 2.42 O ATOM 1302 CG2 THR A 83 -15.718 -14.231 28.872 1.00 45.43 C ATOM 0 H THR A 83 -15.475 -16.473 27.212 1.00 35.41 H new ATOM 0 HA THR A 83 -15.648 -16.685 30.016 1.00 73.01 H new ATOM 0 HB THR A 83 -17.472 -15.009 29.815 1.00 4.41 H new ATOM 0 HG1 THR A 83 -17.262 -14.512 27.153 1.00 2.42 H new ATOM 0 HG21 THR A 83 -16.135 -13.233 28.738 1.00 45.43 H new ATOM 0 HG22 THR A 83 -15.137 -14.261 29.794 1.00 45.43 H new ATOM 0 HG23 THR A 83 -15.072 -14.471 28.028 1.00 45.43 H new ATOM 1310 N ASP A 84 -17.760 -18.489 28.379 1.00 4.30 N ATOM 1311 CA ASP A 84 -18.712 -19.594 28.552 1.00 63.12 C ATOM 1312 C ASP A 84 -18.195 -20.599 29.595 1.00 33.22 C ATOM 1313 O ASP A 84 -18.964 -21.199 30.344 1.00 72.54 O ATOM 1314 CB ASP A 84 -18.923 -20.335 27.228 1.00 63.13 C ATOM 1315 CG ASP A 84 -19.369 -19.419 26.111 1.00 73.12 C ATOM 1316 OD1 ASP A 84 -20.562 -19.048 26.076 1.00 23.33 O ATOM 1317 OD2 ASP A 84 -18.532 -19.075 25.256 1.00 52.51 O ATOM 0 H ASP A 84 -17.350 -18.429 27.447 1.00 4.30 H new ATOM 0 HA ASP A 84 -19.655 -19.165 28.891 1.00 63.12 H new ATOM 0 HB2 ASP A 84 -17.994 -20.827 26.940 1.00 63.13 H new ATOM 0 HB3 ASP A 84 -19.668 -21.118 27.369 1.00 63.13 H new ATOM 1322 N GLY A 85 -16.872 -20.762 29.632 1.00 65.20 N ATOM 1323 CA GLY A 85 -16.243 -21.787 30.461 1.00 25.11 C ATOM 1324 C GLY A 85 -15.538 -22.848 29.618 1.00 43.54 C ATOM 1325 O GLY A 85 -14.603 -23.504 30.077 1.00 32.43 O ATOM 0 H GLY A 85 -16.215 -20.195 29.096 1.00 65.20 H new ATOM 0 HA2 GLY A 85 -15.523 -21.319 31.132 1.00 25.11 H new ATOM 0 HA3 GLY A 85 -16.999 -22.263 31.086 1.00 25.11 H new ATOM 1329 N SER A 86 -15.994 -23.007 28.374 1.00 12.02 N ATOM 1330 CA SER A 86 -15.394 -23.964 27.429 1.00 35.13 C ATOM 1331 C SER A 86 -13.969 -23.551 27.034 1.00 2.20 C ATOM 1332 O SER A 86 -13.605 -22.375 27.115 1.00 53.43 O ATOM 1333 CB SER A 86 -16.255 -24.069 26.160 1.00 44.23 C ATOM 1334 OG SER A 86 -17.610 -24.367 26.469 1.00 1.55 O ATOM 0 H SER A 86 -16.782 -22.484 27.991 1.00 12.02 H new ATOM 0 HA SER A 86 -15.349 -24.931 27.930 1.00 35.13 H new ATOM 0 HB2 SER A 86 -16.205 -23.131 25.608 1.00 44.23 H new ATOM 0 HB3 SER A 86 -15.851 -24.844 25.509 1.00 44.23 H new ATOM 0 HG SER A 86 -18.129 -24.425 25.640 1.00 1.55 H new ATOM 1340 N GLU A 87 -13.168 -24.518 26.591 1.00 60.25 N ATOM 1341 CA GLU A 87 -11.786 -24.250 26.164 1.00 34.21 C ATOM 1342 C GLU A 87 -11.542 -24.621 24.688 1.00 73.43 C ATOM 1343 O GLU A 87 -12.455 -25.049 23.978 1.00 74.22 O ATOM 1344 CB GLU A 87 -10.784 -24.978 27.083 1.00 63.32 C ATOM 1345 CG GLU A 87 -11.257 -26.330 27.631 1.00 13.03 C ATOM 1346 CD GLU A 87 -11.659 -27.327 26.554 1.00 4.10 C ATOM 1347 OE1 GLU A 87 -10.771 -27.840 25.849 1.00 54.24 O ATOM 1348 OE2 GLU A 87 -12.872 -27.607 26.413 1.00 53.04 O ATOM 0 H GLU A 87 -13.447 -25.496 26.516 1.00 60.25 H new ATOM 0 HA GLU A 87 -11.628 -23.175 26.250 1.00 34.21 H new ATOM 0 HB2 GLU A 87 -9.857 -25.133 26.531 1.00 63.32 H new ATOM 0 HB3 GLU A 87 -10.549 -24.326 27.924 1.00 63.32 H new ATOM 0 HG2 GLU A 87 -10.461 -26.765 28.235 1.00 13.03 H new ATOM 0 HG3 GLU A 87 -12.106 -26.165 28.294 1.00 13.03 H new ATOM 1355 N GLU A 88 -10.299 -24.436 24.241 1.00 3.42 N ATOM 1356 CA GLU A 88 -9.902 -24.704 22.850 1.00 53.22 C ATOM 1357 C GLU A 88 -8.367 -24.615 22.733 1.00 22.34 C ATOM 1358 O GLU A 88 -7.709 -24.123 23.647 1.00 63.23 O ATOM 1359 CB GLU A 88 -10.585 -23.679 21.910 1.00 75.40 C ATOM 1360 CG GLU A 88 -11.116 -24.259 20.595 1.00 73.40 C ATOM 1361 CD GLU A 88 -10.027 -24.634 19.600 1.00 65.33 C ATOM 1362 OE1 GLU A 88 -9.551 -23.741 18.869 1.00 13.14 O ATOM 1363 OE2 GLU A 88 -9.656 -25.826 19.533 1.00 53.43 O ATOM 0 H GLU A 88 -9.537 -24.097 24.829 1.00 3.42 H new ATOM 0 HA GLU A 88 -10.218 -25.705 22.558 1.00 53.22 H new ATOM 0 HB2 GLU A 88 -11.413 -23.214 22.445 1.00 75.40 H new ATOM 0 HB3 GLU A 88 -9.871 -22.889 21.679 1.00 75.40 H new ATOM 0 HG2 GLU A 88 -11.713 -25.144 20.815 1.00 73.40 H new ATOM 0 HG3 GLU A 88 -11.782 -23.532 20.132 1.00 73.40 H new ATOM 1370 N ARG A 89 -7.790 -25.090 21.633 1.00 63.54 N ATOM 1371 CA ARG A 89 -6.339 -24.973 21.421 1.00 22.40 C ATOM 1372 C ARG A 89 -6.011 -24.593 19.969 1.00 54.44 C ATOM 1373 O ARG A 89 -6.562 -25.162 19.026 1.00 63.44 O ATOM 1374 CB ARG A 89 -5.624 -26.282 21.801 1.00 23.13 C ATOM 1375 CG ARG A 89 -5.998 -27.481 20.929 1.00 11.00 C ATOM 1376 CD ARG A 89 -5.135 -28.701 21.242 1.00 42.33 C ATOM 1377 NE ARG A 89 -3.705 -28.399 21.139 1.00 62.04 N ATOM 1378 CZ ARG A 89 -2.926 -28.807 20.173 1.00 22.31 C ATOM 1379 NH1 ARG A 89 -3.392 -29.514 19.195 1.00 53.01 N ATOM 1380 NH2 ARG A 89 -1.674 -28.496 20.186 1.00 63.32 N ATOM 0 H ARG A 89 -8.293 -25.556 20.878 1.00 63.54 H new ATOM 0 HA ARG A 89 -5.978 -24.174 22.069 1.00 22.40 H new ATOM 0 HB2 ARG A 89 -4.547 -26.125 21.739 1.00 23.13 H new ATOM 0 HB3 ARG A 89 -5.853 -26.518 22.840 1.00 23.13 H new ATOM 0 HG2 ARG A 89 -7.048 -27.729 21.083 1.00 11.00 H new ATOM 0 HG3 ARG A 89 -5.885 -27.216 19.878 1.00 11.00 H new ATOM 0 HD2 ARG A 89 -5.360 -29.056 22.248 1.00 42.33 H new ATOM 0 HD3 ARG A 89 -5.386 -29.509 20.555 1.00 42.33 H new ATOM 0 HE ARG A 89 -3.288 -27.829 21.875 1.00 62.04 H new ATOM 0 HH11 ARG A 89 -4.381 -29.761 19.170 1.00 53.01 H new ATOM 0 HH12 ARG A 89 -2.770 -29.825 18.449 1.00 53.01 H new ATOM 0 HH21 ARG A 89 -1.296 -27.934 20.949 1.00 63.32 H new ATOM 0 HH22 ARG A 89 -1.062 -28.812 19.434 1.00 63.32 H new ATOM 1394 N PHE A 90 -5.099 -23.637 19.789 1.00 31.42 N ATOM 1395 CA PHE A 90 -4.726 -23.171 18.446 1.00 43.51 C ATOM 1396 C PHE A 90 -3.210 -23.286 18.200 1.00 54.31 C ATOM 1397 O PHE A 90 -2.405 -22.606 18.842 1.00 51.25 O ATOM 1398 CB PHE A 90 -5.207 -21.722 18.224 1.00 74.25 C ATOM 1399 CG PHE A 90 -4.517 -20.684 19.084 1.00 21.35 C ATOM 1400 CD1 PHE A 90 -4.701 -20.662 20.459 1.00 65.01 C ATOM 1401 CD2 PHE A 90 -3.690 -19.725 18.511 1.00 43.24 C ATOM 1402 CE1 PHE A 90 -4.075 -19.712 21.243 1.00 35.33 C ATOM 1403 CE2 PHE A 90 -3.061 -18.773 19.292 1.00 24.13 C ATOM 1404 CZ PHE A 90 -3.254 -18.766 20.659 1.00 15.02 C ATOM 0 H PHE A 90 -4.605 -23.170 20.550 1.00 31.42 H new ATOM 0 HA PHE A 90 -5.222 -23.819 17.723 1.00 43.51 H new ATOM 0 HB2 PHE A 90 -5.059 -21.462 17.176 1.00 74.25 H new ATOM 0 HB3 PHE A 90 -6.279 -21.677 18.415 1.00 74.25 H new ATOM 0 HD1 PHE A 90 -5.342 -21.397 20.923 1.00 65.01 H new ATOM 0 HD2 PHE A 90 -3.537 -19.723 17.442 1.00 43.24 H new ATOM 0 HE1 PHE A 90 -4.227 -19.709 22.312 1.00 35.33 H new ATOM 0 HE2 PHE A 90 -2.419 -18.036 18.833 1.00 24.13 H new ATOM 0 HZ PHE A 90 -2.764 -18.023 21.271 1.00 15.02 H new ATOM 1414 N SER A 91 -2.822 -24.163 17.273 1.00 21.53 N ATOM 1415 CA SER A 91 -1.413 -24.294 16.878 1.00 71.33 C ATOM 1416 C SER A 91 -0.960 -23.065 16.077 1.00 72.35 C ATOM 1417 O SER A 91 -0.934 -23.083 14.846 1.00 13.12 O ATOM 1418 CB SER A 91 -1.191 -25.575 16.057 1.00 62.13 C ATOM 1419 OG SER A 91 -1.520 -26.733 16.809 1.00 0.43 O ATOM 0 H SER A 91 -3.458 -24.792 16.782 1.00 21.53 H new ATOM 0 HA SER A 91 -0.813 -24.359 17.786 1.00 71.33 H new ATOM 0 HB2 SER A 91 -1.800 -25.540 15.153 1.00 62.13 H new ATOM 0 HB3 SER A 91 -0.150 -25.629 15.738 1.00 62.13 H new ATOM 0 HG SER A 91 -1.371 -27.532 16.261 1.00 0.43 H new ATOM 1425 N TYR A 92 -0.613 -21.997 16.798 1.00 21.22 N ATOM 1426 CA TYR A 92 -0.266 -20.696 16.198 1.00 33.22 C ATOM 1427 C TYR A 92 0.826 -20.787 15.113 1.00 33.12 C ATOM 1428 O TYR A 92 0.890 -19.934 14.227 1.00 1.11 O ATOM 1429 CB TYR A 92 0.168 -19.710 17.296 1.00 54.04 C ATOM 1430 CG TYR A 92 1.334 -20.197 18.143 1.00 55.43 C ATOM 1431 CD1 TYR A 92 1.123 -21.043 19.228 1.00 2.13 C ATOM 1432 CD2 TYR A 92 2.642 -19.813 17.857 1.00 64.41 C ATOM 1433 CE1 TYR A 92 2.176 -21.490 20.001 1.00 2.51 C ATOM 1434 CE2 TYR A 92 3.700 -20.259 18.627 1.00 3.33 C ATOM 1435 CZ TYR A 92 3.461 -21.097 19.695 1.00 34.52 C ATOM 1436 OH TYR A 92 4.513 -21.537 20.465 1.00 12.41 O ATOM 0 H TYR A 92 -0.563 -22.004 17.817 1.00 21.22 H new ATOM 0 HA TYR A 92 -1.167 -20.337 15.700 1.00 33.22 H new ATOM 0 HB2 TYR A 92 0.441 -18.763 16.831 1.00 54.04 H new ATOM 0 HB3 TYR A 92 -0.683 -19.511 17.948 1.00 54.04 H new ATOM 0 HD1 TYR A 92 0.118 -21.355 19.469 1.00 2.13 H new ATOM 0 HD2 TYR A 92 2.833 -19.157 17.021 1.00 64.41 H new ATOM 0 HE1 TYR A 92 1.994 -22.144 20.841 1.00 2.51 H new ATOM 0 HE2 TYR A 92 4.709 -19.952 18.393 1.00 3.33 H new ATOM 0 HH TYR A 92 5.052 -22.173 19.950 1.00 12.41 H new ATOM 1446 N LYS A 93 1.684 -21.809 15.184 1.00 14.42 N ATOM 1447 CA LYS A 93 2.749 -21.988 14.186 1.00 65.22 C ATOM 1448 C LYS A 93 2.173 -22.182 12.771 1.00 1.34 C ATOM 1449 O LYS A 93 2.818 -21.842 11.778 1.00 21.45 O ATOM 1450 CB LYS A 93 3.654 -23.173 14.557 1.00 20.54 C ATOM 1451 CG LYS A 93 2.942 -24.523 14.604 1.00 31.51 C ATOM 1452 CD LYS A 93 3.915 -25.666 14.903 1.00 14.54 C ATOM 1453 CE LYS A 93 4.979 -25.818 13.813 1.00 31.31 C ATOM 1454 NZ LYS A 93 5.909 -26.948 14.088 1.00 10.34 N ATOM 0 H LYS A 93 1.665 -22.521 15.914 1.00 14.42 H new ATOM 0 HA LYS A 93 3.347 -21.077 14.184 1.00 65.22 H new ATOM 0 HB2 LYS A 93 4.469 -23.231 13.836 1.00 20.54 H new ATOM 0 HB3 LYS A 93 4.104 -22.979 15.531 1.00 20.54 H new ATOM 0 HG2 LYS A 93 2.164 -24.498 15.367 1.00 31.51 H new ATOM 0 HG3 LYS A 93 2.447 -24.707 13.651 1.00 31.51 H new ATOM 0 HD2 LYS A 93 4.402 -25.485 15.861 1.00 14.54 H new ATOM 0 HD3 LYS A 93 3.359 -26.599 14.999 1.00 14.54 H new ATOM 0 HE2 LYS A 93 4.491 -25.977 12.851 1.00 31.31 H new ATOM 0 HE3 LYS A 93 5.549 -24.892 13.732 1.00 31.31 H new ATOM 0 HZ1 LYS A 93 6.612 -27.013 13.324 1.00 10.34 H new ATOM 0 HZ2 LYS A 93 6.395 -26.785 14.993 1.00 10.34 H new ATOM 0 HZ3 LYS A 93 5.370 -27.836 14.139 1.00 10.34 H new ATOM 1468 N LYS A 94 0.959 -22.729 12.682 1.00 31.32 N ATOM 1469 CA LYS A 94 0.278 -22.895 11.391 1.00 25.41 C ATOM 1470 C LYS A 94 -0.827 -21.844 11.218 1.00 15.33 C ATOM 1471 O LYS A 94 -2.019 -22.132 11.368 1.00 72.23 O ATOM 1472 CB LYS A 94 -0.304 -24.311 11.247 1.00 3.11 C ATOM 1473 CG LYS A 94 0.722 -25.427 11.420 1.00 32.12 C ATOM 1474 CD LYS A 94 1.918 -25.293 10.471 1.00 63.03 C ATOM 1475 CE LYS A 94 1.553 -25.511 8.999 1.00 73.33 C ATOM 1476 NZ LYS A 94 0.840 -24.352 8.393 1.00 0.34 N ATOM 0 H LYS A 94 0.426 -23.065 13.485 1.00 31.32 H new ATOM 0 HA LYS A 94 1.020 -22.751 10.605 1.00 25.41 H new ATOM 0 HB2 LYS A 94 -1.096 -24.443 11.984 1.00 3.11 H new ATOM 0 HB3 LYS A 94 -0.764 -24.405 10.263 1.00 3.11 H new ATOM 0 HG2 LYS A 94 1.080 -25.427 12.449 1.00 32.12 H new ATOM 0 HG3 LYS A 94 0.237 -26.388 11.251 1.00 32.12 H new ATOM 0 HD2 LYS A 94 2.355 -24.301 10.586 1.00 63.03 H new ATOM 0 HD3 LYS A 94 2.683 -26.014 10.759 1.00 63.03 H new ATOM 0 HE2 LYS A 94 2.462 -25.707 8.431 1.00 73.33 H new ATOM 0 HE3 LYS A 94 0.927 -26.399 8.914 1.00 73.33 H new ATOM 0 HZ1 LYS A 94 1.123 -24.252 7.397 1.00 0.34 H new ATOM 0 HZ2 LYS A 94 -0.187 -24.509 8.447 1.00 0.34 H new ATOM 0 HZ3 LYS A 94 1.085 -23.484 8.911 1.00 0.34 H new ATOM 1490 N CYS A 95 -0.407 -20.618 10.923 1.00 22.12 N ATOM 1491 CA CYS A 95 -1.323 -19.483 10.752 1.00 10.40 C ATOM 1492 C CYS A 95 -0.594 -18.302 10.099 1.00 5.15 C ATOM 1493 O CYS A 95 -0.700 -17.155 10.545 1.00 4.31 O ATOM 1494 CB CYS A 95 -1.907 -19.060 12.112 1.00 11.44 C ATOM 1495 SG CYS A 95 -3.081 -17.681 12.031 1.00 25.12 S ATOM 0 H CYS A 95 0.576 -20.378 10.795 1.00 22.12 H new ATOM 0 HA CYS A 95 -2.140 -19.792 10.100 1.00 10.40 H new ATOM 0 HB2 CYS A 95 -2.405 -19.919 12.562 1.00 11.44 H new ATOM 0 HB3 CYS A 95 -1.087 -18.784 12.775 1.00 11.44 H new ATOM 0 HG CYS A 95 -4.172 -18.002 12.661 1.00 25.12 H new ATOM 1501 N VAL A 96 0.149 -18.588 9.030 1.00 22.30 N ATOM 1502 CA VAL A 96 0.961 -17.571 8.347 1.00 34.11 C ATOM 1503 C VAL A 96 0.537 -17.408 6.877 1.00 13.12 C ATOM 1504 O VAL A 96 -0.073 -16.407 6.490 1.00 24.30 O ATOM 1505 CB VAL A 96 2.468 -17.941 8.398 1.00 31.24 C ATOM 1506 CG1 VAL A 96 3.329 -16.829 7.799 1.00 33.24 C ATOM 1507 CG2 VAL A 96 2.906 -18.270 9.826 1.00 33.40 C ATOM 0 H VAL A 96 0.208 -19.518 8.614 1.00 22.30 H new ATOM 0 HA VAL A 96 0.798 -16.629 8.870 1.00 34.11 H new ATOM 0 HB VAL A 96 2.612 -18.835 7.792 1.00 31.24 H new ATOM 0 HG11 VAL A 96 4.379 -17.116 7.848 1.00 33.24 H new ATOM 0 HG12 VAL A 96 3.045 -16.669 6.759 1.00 33.24 H new ATOM 0 HG13 VAL A 96 3.177 -15.908 8.362 1.00 33.24 H new ATOM 0 HG21 VAL A 96 3.966 -18.525 9.832 1.00 33.40 H new ATOM 0 HG22 VAL A 96 2.738 -17.404 10.467 1.00 33.40 H new ATOM 0 HG23 VAL A 96 2.327 -19.115 10.199 1.00 33.40 H new ATOM 1517 N LEU A 97 0.870 -18.410 6.072 1.00 61.24 N ATOM 1518 CA LEU A 97 0.551 -18.424 4.643 1.00 0.34 C ATOM 1519 C LEU A 97 0.493 -19.881 4.167 1.00 13.52 C ATOM 1520 O LEU A 97 1.523 -20.558 4.074 1.00 13.32 O ATOM 1521 CB LEU A 97 1.607 -17.614 3.856 1.00 72.21 C ATOM 1522 CG LEU A 97 1.302 -17.326 2.368 1.00 0.33 C ATOM 1523 CD1 LEU A 97 1.493 -18.566 1.493 1.00 1.42 C ATOM 1524 CD2 LEU A 97 -0.109 -16.766 2.201 1.00 14.21 C ATOM 0 H LEU A 97 1.371 -19.240 6.390 1.00 61.24 H new ATOM 0 HA LEU A 97 -0.418 -17.957 4.467 1.00 0.34 H new ATOM 0 HB2 LEU A 97 1.750 -16.660 4.364 1.00 72.21 H new ATOM 0 HB3 LEU A 97 2.555 -18.149 3.910 1.00 72.21 H new ATOM 0 HG LEU A 97 2.018 -16.576 2.033 1.00 0.33 H new ATOM 0 HD11 LEU A 97 1.268 -18.318 0.456 1.00 1.42 H new ATOM 0 HD12 LEU A 97 2.525 -18.909 1.568 1.00 1.42 H new ATOM 0 HD13 LEU A 97 0.822 -19.356 1.831 1.00 1.42 H new ATOM 0 HD21 LEU A 97 -0.301 -16.571 1.146 1.00 14.21 H new ATOM 0 HD22 LEU A 97 -0.834 -17.489 2.574 1.00 14.21 H new ATOM 0 HD23 LEU A 97 -0.201 -15.837 2.764 1.00 14.21 H new ATOM 1536 N GLU A 98 -0.712 -20.366 3.884 1.00 2.50 N ATOM 1537 CA GLU A 98 -0.923 -21.792 3.632 1.00 44.13 C ATOM 1538 C GLU A 98 -2.260 -22.057 2.920 1.00 42.22 C ATOM 1539 O GLU A 98 -3.328 -22.030 3.537 1.00 64.23 O ATOM 1540 CB GLU A 98 -0.832 -22.560 4.967 1.00 31.01 C ATOM 1541 CG GLU A 98 -1.563 -21.880 6.129 1.00 42.53 C ATOM 1542 CD GLU A 98 -1.037 -22.313 7.492 1.00 71.41 C ATOM 1543 OE1 GLU A 98 -0.080 -21.680 7.999 1.00 53.32 O ATOM 1544 OE2 GLU A 98 -1.558 -23.301 8.054 1.00 51.34 O ATOM 0 H GLU A 98 -1.556 -19.797 3.823 1.00 2.50 H new ATOM 0 HA GLU A 98 -0.143 -22.148 2.959 1.00 44.13 H new ATOM 0 HB2 GLU A 98 -1.243 -23.560 4.828 1.00 31.01 H new ATOM 0 HB3 GLU A 98 0.218 -22.682 5.233 1.00 31.01 H new ATOM 0 HG2 GLU A 98 -1.462 -20.799 6.033 1.00 42.53 H new ATOM 0 HG3 GLU A 98 -2.627 -22.108 6.066 1.00 42.53 H new ATOM 1551 N HIS A 99 -2.184 -22.302 1.610 1.00 34.50 N ATOM 1552 CA HIS A 99 -3.371 -22.555 0.786 1.00 32.15 C ATOM 1553 C HIS A 99 -4.127 -23.812 1.241 1.00 33.43 C ATOM 1554 O HIS A 99 -3.520 -24.825 1.583 1.00 44.21 O ATOM 1555 CB HIS A 99 -2.969 -22.696 -0.690 1.00 42.11 C ATOM 1556 CG HIS A 99 -4.116 -23.039 -1.596 1.00 25.51 C ATOM 1557 ND1 HIS A 99 -4.343 -24.311 -2.073 1.00 54.30 N ATOM 1558 CD2 HIS A 99 -5.111 -22.272 -2.099 1.00 41.02 C ATOM 1559 CE1 HIS A 99 -5.424 -24.311 -2.826 1.00 12.14 C ATOM 1560 NE2 HIS A 99 -5.909 -23.090 -2.858 1.00 53.15 N ATOM 0 H HIS A 99 -1.306 -22.331 1.092 1.00 34.50 H new ATOM 0 HA HIS A 99 -4.040 -21.702 0.905 1.00 32.15 H new ATOM 0 HB2 HIS A 99 -2.519 -21.762 -1.026 1.00 42.11 H new ATOM 0 HB3 HIS A 99 -2.205 -23.468 -0.777 1.00 42.11 H new ATOM 0 HD2 HIS A 99 -5.251 -21.214 -1.934 1.00 41.02 H new ATOM 0 HE1 HIS A 99 -5.841 -25.169 -3.332 1.00 12.14 H new ATOM 0 HE2 HIS A 99 -6.744 -22.798 -3.365 1.00 53.15 H new ATOM 1569 N HIS A 100 -5.458 -23.728 1.220 1.00 75.52 N ATOM 1570 CA HIS A 100 -6.339 -24.840 1.608 1.00 35.35 C ATOM 1571 C HIS A 100 -5.927 -26.175 0.954 1.00 3.54 C ATOM 1572 O HIS A 100 -6.116 -26.379 -0.247 1.00 32.02 O ATOM 1573 CB HIS A 100 -7.788 -24.491 1.232 1.00 44.45 C ATOM 1574 CG HIS A 100 -8.795 -25.543 1.591 1.00 10.14 C ATOM 1575 ND1 HIS A 100 -9.441 -25.580 2.805 1.00 54.23 N ATOM 1576 CD2 HIS A 100 -9.281 -26.591 0.882 1.00 32.25 C ATOM 1577 CE1 HIS A 100 -10.274 -26.597 2.829 1.00 10.43 C ATOM 1578 NE2 HIS A 100 -10.198 -27.225 1.678 1.00 74.44 N ATOM 0 H HIS A 100 -5.960 -22.888 0.934 1.00 75.52 H new ATOM 0 HA HIS A 100 -6.250 -24.976 2.686 1.00 35.35 H new ATOM 0 HB2 HIS A 100 -8.064 -23.559 1.726 1.00 44.45 H new ATOM 0 HB3 HIS A 100 -7.838 -24.310 0.158 1.00 44.45 H new ATOM 0 HD2 HIS A 100 -8.998 -26.873 -0.122 1.00 32.25 H new ATOM 0 HE1 HIS A 100 -10.913 -26.870 3.656 1.00 10.43 H new ATOM 0 HE2 HIS A 100 -10.736 -28.052 1.418 1.00 74.44 H new ATOM 1587 N HIS A 101 -5.353 -27.069 1.757 1.00 42.11 N ATOM 1588 CA HIS A 101 -4.997 -28.421 1.307 1.00 12.31 C ATOM 1589 C HIS A 101 -4.660 -29.297 2.528 1.00 51.13 C ATOM 1590 O HIS A 101 -4.059 -28.816 3.487 1.00 43.01 O ATOM 1591 CB HIS A 101 -3.809 -28.375 0.326 1.00 43.32 C ATOM 1592 CG HIS A 101 -3.798 -29.509 -0.655 1.00 54.21 C ATOM 1593 ND1 HIS A 101 -3.117 -30.687 -0.443 1.00 61.51 N ATOM 1594 CD2 HIS A 101 -4.397 -29.639 -1.864 1.00 62.41 C ATOM 1595 CE1 HIS A 101 -3.298 -31.491 -1.473 1.00 40.42 C ATOM 1596 NE2 HIS A 101 -4.069 -30.881 -2.346 1.00 62.12 N ATOM 0 H HIS A 101 -5.121 -26.882 2.733 1.00 42.11 H new ATOM 0 HA HIS A 101 -5.847 -28.855 0.781 1.00 12.31 H new ATOM 0 HB2 HIS A 101 -3.836 -27.432 -0.221 1.00 43.32 H new ATOM 0 HB3 HIS A 101 -2.879 -28.387 0.894 1.00 43.32 H new ATOM 0 HD2 HIS A 101 -5.016 -28.903 -2.356 1.00 62.41 H new ATOM 0 HE1 HIS A 101 -2.883 -32.482 -1.581 1.00 40.42 H new ATOM 0 HE2 HIS A 101 -4.374 -31.269 -3.239 1.00 62.12 H new ATOM 1605 N HIS A 102 -5.052 -30.573 2.501 1.00 41.25 N ATOM 1606 CA HIS A 102 -4.914 -31.443 3.683 1.00 14.20 C ATOM 1607 C HIS A 102 -3.458 -31.549 4.178 1.00 35.02 C ATOM 1608 O HIS A 102 -2.511 -31.570 3.388 1.00 3.22 O ATOM 1609 CB HIS A 102 -5.472 -32.849 3.409 1.00 54.40 C ATOM 1610 CG HIS A 102 -4.558 -33.744 2.621 1.00 52.24 C ATOM 1611 ND1 HIS A 102 -3.655 -34.599 3.216 1.00 31.34 N ATOM 1612 CD2 HIS A 102 -4.415 -33.929 1.286 1.00 10.41 C ATOM 1613 CE1 HIS A 102 -3.002 -35.267 2.290 1.00 2.12 C ATOM 1614 NE2 HIS A 102 -3.441 -34.880 1.111 1.00 53.51 N ATOM 0 H HIS A 102 -5.464 -31.028 1.686 1.00 41.25 H new ATOM 0 HA HIS A 102 -5.499 -30.972 4.473 1.00 14.20 H new ATOM 0 HB2 HIS A 102 -5.695 -33.329 4.362 1.00 54.40 H new ATOM 0 HB3 HIS A 102 -6.416 -32.752 2.872 1.00 54.40 H new ATOM 0 HD1 HIS A 102 -3.515 -34.698 4.221 1.00 31.34 H new ATOM 0 HD2 HIS A 102 -4.965 -33.423 0.506 1.00 10.41 H new ATOM 0 HE1 HIS A 102 -2.236 -36.007 2.467 1.00 2.12 H new ATOM 1623 N HIS A 103 -3.300 -31.612 5.498 1.00 64.43 N ATOM 1624 CA HIS A 103 -1.993 -31.797 6.142 1.00 13.24 C ATOM 1625 C HIS A 103 -1.311 -33.107 5.695 1.00 54.15 C ATOM 1626 O HIS A 103 -1.980 -34.106 5.434 1.00 24.12 O ATOM 1627 CB HIS A 103 -2.193 -31.796 7.668 1.00 41.40 C ATOM 1628 CG HIS A 103 -0.960 -32.089 8.473 1.00 73.20 C ATOM 1629 ND1 HIS A 103 -0.066 -31.117 8.865 1.00 44.23 N ATOM 1630 CD2 HIS A 103 -0.489 -33.253 8.982 1.00 15.24 C ATOM 1631 CE1 HIS A 103 0.900 -31.669 9.574 1.00 41.20 C ATOM 1632 NE2 HIS A 103 0.667 -32.962 9.665 1.00 34.40 N ATOM 0 H HIS A 103 -4.075 -31.536 6.157 1.00 64.43 H new ATOM 0 HA HIS A 103 -1.338 -30.978 5.844 1.00 13.24 H new ATOM 0 HB2 HIS A 103 -2.580 -30.822 7.967 1.00 41.40 H new ATOM 0 HB3 HIS A 103 -2.956 -32.533 7.919 1.00 41.40 H new ATOM 0 HD2 HIS A 103 -0.939 -34.229 8.871 1.00 15.24 H new ATOM 0 HE1 HIS A 103 1.741 -31.148 10.007 1.00 41.20 H new ATOM 0 HE2 HIS A 103 1.249 -33.637 10.161 1.00 34.40 H new ATOM 1641 N HIS A 104 0.023 -33.079 5.597 1.00 64.35 N ATOM 1642 CA HIS A 104 0.818 -34.294 5.331 1.00 44.55 C ATOM 1643 C HIS A 104 1.187 -35.017 6.642 1.00 32.33 C ATOM 1644 O HIS A 104 2.209 -34.646 7.265 1.00 38.20 O ATOM 1645 CB HIS A 104 2.102 -33.954 4.551 1.00 3.52 C ATOM 1646 CG HIS A 104 1.895 -33.705 3.088 1.00 2.20 C ATOM 1647 ND1 HIS A 104 2.476 -32.653 2.410 1.00 2.32 N ATOM 1648 CD2 HIS A 104 1.204 -34.406 2.158 1.00 21.44 C ATOM 1649 CE1 HIS A 104 2.153 -32.718 1.135 1.00 44.05 C ATOM 1650 NE2 HIS A 104 1.384 -33.772 0.953 1.00 32.14 N ATOM 1651 OXT HIS A 104 0.455 -35.946 7.042 1.00 38.20 O ATOM 0 H HIS A 104 0.579 -32.230 5.697 1.00 64.35 H new ATOM 0 HA HIS A 104 0.201 -34.958 4.726 1.00 44.55 H new ATOM 0 HB2 HIS A 104 2.558 -33.070 4.996 1.00 3.52 H new ATOM 0 HB3 HIS A 104 2.811 -34.773 4.670 1.00 3.52 H new ATOM 0 HD2 HIS A 104 0.620 -35.298 2.332 1.00 21.44 H new ATOM 0 HE1 HIS A 104 2.466 -32.025 0.368 1.00 44.05 H new ATOM 0 HE2 HIS A 104 0.987 -34.069 0.062 1.00 32.14 H new TER 1660 HIS A 104