USER MOD reduce.3.24.130724 H: found=0, std=0, add=573, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 574 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 83 MET CE :methyl -167:sc= -1.33 (180deg=-1.69!) USER MOD Set 1.2: A 85 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 57 GLN : amide:sc= 0.864 K(o=2.1,f=-5.5!) USER MOD Set 2.2: A 60 LYS NZ :NH3+ -154:sc= 1.25 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= 1.33 K(o=1.3,f=-8.3!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 73:sc= 1.22 USER MOD Single : A 30 ASN : amide:sc= 0.963 K(o=0.96,f=-0.029) USER MOD Single : A 31 ASN : amide:sc=-0.000353 K(o=-0.00035,f=-0.75) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 34:sc= 1.27 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 30:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -115:sc= 0.00558 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -0.441 X(o=-0.44,f=-0.8) USER MOD Single : A 52 ASN : amide:sc=-0.00203 K(o=-0.002,f=-0.84) USER MOD Single : A 53 SER OG : rot 90:sc= 1.3 USER MOD Single : A 56 MET CE :methyl -136:sc= 0 (180deg=-0.0188) USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 LYS NZ :NH3+ -168:sc= 1.23 (180deg=1.11) USER MOD Single : A 67 MET CE :methyl -165:sc= 0 (180deg=-0.137) USER MOD Single : A 69 THR OG1 : rot -68:sc= 1.26 USER MOD Single : A 82 ASN : amide:sc= -0.174 X(o=-0.17,f=-0.26) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 14 -3.659 -0.635 -2.869 0.49 2.95 N ATOM 2 CA ASN A 14 -2.829 -0.952 -4.052 0.49 2.23 C ATOM 3 C ASN A 14 -1.401 -1.246 -3.606 0.49 1.90 C ATOM 4 O ASN A 14 -0.996 -0.766 -2.549 0.49 2.04 O ATOM 5 CB ASN A 14 -2.826 0.180 -5.109 0.49 2.58 C ATOM 6 CG ASN A 14 -4.223 0.662 -5.479 0.49 2.61 C ATOM 7 OD1 ASN A 14 -4.944 1.166 -4.635 0.49 3.28 O ATOM 8 ND2 ASN A 14 -4.663 0.515 -6.710 0.49 2.67 N ATOM 0 HA ASN A 14 -3.269 -1.828 -4.529 0.49 2.23 H new ATOM 0 HB2 ASN A 14 -2.248 1.022 -4.728 0.49 2.58 H new ATOM 0 HB3 ASN A 14 -2.321 -0.173 -6.008 0.49 2.58 H new ATOM 0 HD21 ASN A 14 -5.604 0.822 -6.955 0.49 2.67 H new ATOM 0 HD22 ASN A 14 -4.063 0.094 -7.419 0.49 2.67 H new ATOM 15 N PRO A 15 -0.589 -1.953 -4.413 0.49 1.60 N ATOM 16 CA PRO A 15 0.859 -1.772 -4.378 0.49 1.48 C ATOM 17 C PRO A 15 1.217 -0.311 -4.710 0.49 1.40 C ATOM 18 O PRO A 15 0.594 0.313 -5.575 0.49 1.52 O ATOM 19 CB PRO A 15 1.408 -2.755 -5.416 0.49 1.45 C ATOM 20 CG PRO A 15 0.272 -2.886 -6.429 0.49 1.51 C ATOM 21 CD PRO A 15 -0.977 -2.758 -5.562 0.49 1.54 C ATOM 0 HA PRO A 15 1.289 -1.968 -3.395 0.49 1.48 H new ATOM 0 HB2 PRO A 15 2.318 -2.378 -5.882 0.49 1.45 H new ATOM 0 HB3 PRO A 15 1.655 -3.716 -4.965 0.49 1.45 H new ATOM 0 HG2 PRO A 15 0.317 -2.106 -7.189 0.49 1.51 H new ATOM 0 HG3 PRO A 15 0.305 -3.842 -6.951 0.49 1.51 H new ATOM 0 HD2 PRO A 15 -1.788 -2.284 -6.114 0.49 1.54 H new ATOM 0 HD3 PRO A 15 -1.336 -3.738 -5.248 0.49 1.54 H new ATOM 29 N CYS A 16 2.218 0.251 -4.031 1.00 1.36 N ATOM 30 CA CYS A 16 2.625 1.654 -4.198 1.00 1.31 C ATOM 31 C CYS A 16 3.719 1.805 -5.273 1.00 1.16 C ATOM 32 O CYS A 16 4.912 1.914 -4.968 1.00 1.05 O ATOM 33 CB CYS A 16 3.015 2.253 -2.838 1.00 1.44 C ATOM 34 SG CYS A 16 1.678 3.152 -2.005 1.00 1.49 S ATOM 0 H CYS A 16 2.776 -0.255 -3.343 1.00 1.36 H new ATOM 0 HA CYS A 16 1.777 2.230 -4.570 1.00 1.31 H new ATOM 0 HB2 CYS A 16 3.358 1.450 -2.186 1.00 1.44 H new ATOM 0 HB3 CYS A 16 3.858 2.930 -2.981 1.00 1.44 H new ATOM 39 N LEU A 17 3.310 1.816 -6.548 1.00 1.23 N ATOM 40 CA LEU A 17 4.221 1.833 -7.702 1.00 1.18 C ATOM 41 C LEU A 17 5.173 3.039 -7.711 1.00 1.16 C ATOM 42 O LEU A 17 6.296 2.909 -8.181 1.00 1.10 O ATOM 43 CB LEU A 17 3.405 1.785 -9.014 1.00 1.37 C ATOM 44 CG LEU A 17 3.054 0.387 -9.562 1.00 1.42 C ATOM 45 CD1 LEU A 17 4.301 -0.390 -9.996 1.00 2.12 C ATOM 46 CD2 LEU A 17 2.273 -0.471 -8.569 1.00 2.15 C ATOM 0 H LEU A 17 2.325 1.813 -6.812 1.00 1.23 H new ATOM 0 HA LEU A 17 4.851 0.947 -7.619 1.00 1.18 H new ATOM 0 HB2 LEU A 17 2.475 2.332 -8.856 1.00 1.37 H new ATOM 0 HB3 LEU A 17 3.964 2.321 -9.782 1.00 1.37 H new ATOM 0 HG LEU A 17 2.419 0.581 -10.427 1.00 1.42 H new ATOM 0 HD11 LEU A 17 4.006 -1.369 -10.375 1.00 2.12 H new ATOM 0 HD12 LEU A 17 4.819 0.162 -10.780 1.00 2.12 H new ATOM 0 HD13 LEU A 17 4.966 -0.517 -9.142 1.00 2.12 H new ATOM 0 HD21 LEU A 17 2.058 -1.441 -9.017 1.00 2.15 H new ATOM 0 HD22 LEU A 17 2.866 -0.612 -7.665 1.00 2.15 H new ATOM 0 HD23 LEU A 17 1.337 0.027 -8.315 1.00 2.15 H new ATOM 58 N SER A 18 4.778 4.183 -7.149 1.00 1.30 N ATOM 59 CA SER A 18 5.605 5.405 -7.123 1.00 1.40 C ATOM 60 C SER A 18 6.857 5.251 -6.262 1.00 1.30 C ATOM 61 O SER A 18 7.960 5.605 -6.681 1.00 1.32 O ATOM 62 CB SER A 18 4.804 6.574 -6.549 1.00 1.70 C ATOM 63 OG SER A 18 3.524 6.641 -7.152 1.00 1.79 O ATOM 0 H SER A 18 3.872 4.295 -6.695 1.00 1.30 H new ATOM 0 HA SER A 18 5.901 5.589 -8.156 1.00 1.40 H new ATOM 0 HB2 SER A 18 4.699 6.456 -5.471 1.00 1.70 H new ATOM 0 HB3 SER A 18 5.341 7.508 -6.717 1.00 1.70 H new ATOM 0 HG SER A 18 3.023 7.393 -6.773 1.00 1.79 H new ATOM 69 N GLU A 19 6.682 4.687 -5.064 1.00 1.26 N ATOM 70 CA GLU A 19 7.774 4.401 -4.134 1.00 1.19 C ATOM 71 C GLU A 19 8.540 3.144 -4.579 1.00 0.87 C ATOM 72 O GLU A 19 9.750 3.063 -4.374 1.00 0.83 O ATOM 73 CB GLU A 19 7.201 4.267 -2.707 1.00 1.40 C ATOM 74 CG GLU A 19 8.197 4.616 -1.584 1.00 2.09 C ATOM 75 CD GLU A 19 8.367 6.128 -1.339 1.00 2.21 C ATOM 76 OE1 GLU A 19 8.240 6.937 -2.293 1.00 2.76 O ATOM 77 OE2 GLU A 19 8.580 6.530 -0.169 1.00 2.84 O ATOM 0 H GLU A 19 5.766 4.413 -4.710 1.00 1.26 H new ATOM 0 HA GLU A 19 8.492 5.222 -4.133 1.00 1.19 H new ATOM 0 HB2 GLU A 19 6.329 4.915 -2.617 1.00 1.40 H new ATOM 0 HB3 GLU A 19 6.854 3.244 -2.563 1.00 1.40 H new ATOM 0 HG2 GLU A 19 7.865 4.144 -0.659 1.00 2.09 H new ATOM 0 HG3 GLU A 19 9.169 4.187 -1.829 1.00 2.09 H new ATOM 84 N SER A 20 7.867 2.201 -5.258 1.00 0.78 N ATOM 85 CA SER A 20 8.526 1.009 -5.831 1.00 0.74 C ATOM 86 C SER A 20 9.437 1.356 -7.023 1.00 0.86 C ATOM 87 O SER A 20 10.551 0.842 -7.137 1.00 0.96 O ATOM 88 CB SER A 20 7.494 -0.047 -6.246 1.00 0.94 C ATOM 89 OG SER A 20 8.121 -1.315 -6.310 1.00 1.48 O ATOM 0 H SER A 20 6.862 2.239 -5.426 1.00 0.78 H new ATOM 0 HA SER A 20 9.158 0.597 -5.044 1.00 0.74 H new ATOM 0 HB2 SER A 20 6.673 -0.071 -5.530 1.00 0.94 H new ATOM 0 HB3 SER A 20 7.065 0.208 -7.215 1.00 0.94 H new ATOM 0 HG SER A 20 7.463 -1.992 -6.574 1.00 1.48 H new ATOM 95 N ASP A 21 9.020 2.292 -7.880 1.00 0.99 N ATOM 96 CA ASP A 21 9.839 2.839 -8.964 1.00 1.23 C ATOM 97 C ASP A 21 11.027 3.636 -8.407 1.00 1.30 C ATOM 98 O ASP A 21 12.164 3.411 -8.824 1.00 1.49 O ATOM 99 CB ASP A 21 8.962 3.700 -9.887 1.00 1.39 C ATOM 100 CG ASP A 21 9.730 4.179 -11.119 1.00 1.91 C ATOM 101 OD1 ASP A 21 10.024 3.341 -12.005 1.00 3.43 O ATOM 102 OD2 ASP A 21 10.054 5.389 -11.211 1.00 1.84 O ATOM 0 H ASP A 21 8.085 2.698 -7.839 1.00 0.99 H new ATOM 0 HA ASP A 21 10.253 2.018 -9.549 1.00 1.23 H new ATOM 0 HB2 ASP A 21 8.092 3.124 -10.203 1.00 1.39 H new ATOM 0 HB3 ASP A 21 8.589 4.562 -9.334 1.00 1.39 H new ATOM 107 N ALA A 22 10.805 4.490 -7.399 1.00 1.23 N ATOM 108 CA ALA A 22 11.877 5.256 -6.769 1.00 1.37 C ATOM 109 C ALA A 22 12.900 4.355 -6.047 1.00 1.23 C ATOM 110 O ALA A 22 14.104 4.590 -6.175 1.00 1.43 O ATOM 111 CB ALA A 22 11.251 6.305 -5.848 1.00 1.46 C ATOM 0 H ALA A 22 9.882 4.665 -7.003 1.00 1.23 H new ATOM 0 HA ALA A 22 12.456 5.766 -7.539 1.00 1.37 H new ATOM 0 HB1 ALA A 22 12.039 6.886 -5.369 1.00 1.46 H new ATOM 0 HB2 ALA A 22 10.615 6.969 -6.433 1.00 1.46 H new ATOM 0 HB3 ALA A 22 10.652 5.808 -5.085 1.00 1.46 H new ATOM 117 N SER A 23 12.438 3.290 -5.376 1.00 0.93 N ATOM 118 CA SER A 23 13.262 2.180 -4.865 1.00 0.82 C ATOM 119 C SER A 23 14.055 1.479 -5.976 1.00 1.03 C ATOM 120 O SER A 23 15.276 1.375 -5.891 1.00 1.11 O ATOM 121 CB SER A 23 12.384 1.136 -4.160 1.00 0.63 C ATOM 122 OG SER A 23 13.198 0.199 -3.485 1.00 1.58 O ATOM 0 H SER A 23 11.447 3.172 -5.166 1.00 0.93 H new ATOM 0 HA SER A 23 13.968 2.621 -4.162 1.00 0.82 H new ATOM 0 HB2 SER A 23 11.717 1.628 -3.452 1.00 0.63 H new ATOM 0 HB3 SER A 23 11.755 0.625 -4.889 1.00 0.63 H new ATOM 0 HG SER A 23 12.632 -0.463 -3.036 1.00 1.58 H new ATOM 128 N THR A 24 13.401 1.077 -7.073 1.00 1.24 N ATOM 129 CA THR A 24 14.057 0.426 -8.227 1.00 1.63 C ATOM 130 C THR A 24 15.187 1.303 -8.786 1.00 1.91 C ATOM 131 O THR A 24 16.298 0.820 -9.032 1.00 2.12 O ATOM 132 CB THR A 24 13.033 0.118 -9.339 1.00 1.74 C ATOM 133 OG1 THR A 24 11.991 -0.714 -8.865 1.00 1.61 O ATOM 134 CG2 THR A 24 13.661 -0.617 -10.524 1.00 2.10 C ATOM 0 H THR A 24 12.394 1.193 -7.191 1.00 1.24 H new ATOM 0 HA THR A 24 14.487 -0.512 -7.875 1.00 1.63 H new ATOM 0 HB THR A 24 12.655 1.091 -9.653 1.00 1.74 H new ATOM 0 HG1 THR A 24 11.397 -0.195 -8.284 1.00 1.61 H new ATOM 0 HG21 THR A 24 12.898 -0.810 -11.278 1.00 2.10 H new ATOM 0 HG22 THR A 24 14.451 -0.003 -10.956 1.00 2.10 H new ATOM 0 HG23 THR A 24 14.082 -1.563 -10.184 1.00 2.10 H new ATOM 142 N ARG A 25 14.934 2.614 -8.900 1.00 1.95 N ATOM 143 CA ARG A 25 15.916 3.616 -9.335 1.00 2.26 C ATOM 144 C ARG A 25 17.009 3.883 -8.292 1.00 2.06 C ATOM 145 O ARG A 25 18.153 4.073 -8.697 1.00 2.21 O ATOM 146 CB ARG A 25 15.198 4.909 -9.771 1.00 2.53 C ATOM 147 CG ARG A 25 14.720 4.887 -11.233 1.00 3.11 C ATOM 148 CD ARG A 25 13.432 4.101 -11.515 1.00 3.65 C ATOM 149 NE ARG A 25 13.310 3.823 -12.956 1.00 4.74 N ATOM 150 CZ ARG A 25 12.571 4.438 -13.860 1.00 5.13 C ATOM 151 NH1 ARG A 25 11.608 5.263 -13.567 1.00 4.84 N ATOM 152 NH2 ARG A 25 12.803 4.214 -15.119 1.00 6.41 N ATOM 0 H ARG A 25 14.021 3.016 -8.688 1.00 1.95 H new ATOM 0 HA ARG A 25 16.441 3.205 -10.197 1.00 2.26 H new ATOM 0 HB2 ARG A 25 14.340 5.075 -9.120 1.00 2.53 H new ATOM 0 HB3 ARG A 25 15.873 5.754 -9.631 1.00 2.53 H new ATOM 0 HG2 ARG A 25 14.571 5.916 -11.560 1.00 3.11 H new ATOM 0 HG3 ARG A 25 15.517 4.469 -11.848 1.00 3.11 H new ATOM 0 HD2 ARG A 25 13.439 3.165 -10.956 1.00 3.65 H new ATOM 0 HD3 ARG A 25 12.568 4.670 -11.173 1.00 3.65 H new ATOM 0 HE ARG A 25 13.875 3.048 -13.303 1.00 4.74 H new ATOM 0 HH11 ARG A 25 11.389 5.465 -12.592 1.00 4.84 H new ATOM 0 HH12 ARG A 25 11.072 5.707 -14.313 1.00 4.84 H new ATOM 0 HH21 ARG A 25 13.546 3.572 -15.394 1.00 6.41 H new ATOM 0 HH22 ARG A 25 12.242 4.680 -15.832 1.00 6.41 H new ATOM 166 N CYS A 26 16.723 3.810 -6.986 1.00 1.76 N ATOM 167 CA CYS A 26 17.744 3.802 -5.923 1.00 1.61 C ATOM 168 C CYS A 26 18.681 2.591 -6.067 1.00 1.61 C ATOM 169 O CYS A 26 19.901 2.710 -6.026 1.00 1.75 O ATOM 170 CB CYS A 26 17.075 3.811 -4.529 1.00 1.30 C ATOM 171 SG CYS A 26 18.210 3.457 -3.148 1.00 1.12 S ATOM 0 H CYS A 26 15.768 3.754 -6.631 1.00 1.76 H new ATOM 0 HA CYS A 26 18.345 4.706 -6.024 1.00 1.61 H new ATOM 0 HB2 CYS A 26 16.616 4.786 -4.366 1.00 1.30 H new ATOM 0 HB3 CYS A 26 16.271 3.075 -4.520 1.00 1.30 H new ATOM 176 N LEU A 27 18.124 1.406 -6.279 1.00 1.54 N ATOM 177 CA LEU A 27 18.869 0.148 -6.356 1.00 1.65 C ATOM 178 C LEU A 27 19.718 0.020 -7.625 1.00 2.08 C ATOM 179 O LEU A 27 20.803 -0.570 -7.612 1.00 2.32 O ATOM 180 CB LEU A 27 17.827 -0.965 -6.222 1.00 1.62 C ATOM 181 CG LEU A 27 17.638 -1.351 -4.756 1.00 1.32 C ATOM 182 CD1 LEU A 27 17.437 -0.239 -3.723 1.00 0.90 C ATOM 183 CD2 LEU A 27 16.444 -2.296 -4.636 1.00 1.49 C ATOM 0 H LEU A 27 17.119 1.286 -6.406 1.00 1.54 H new ATOM 0 HA LEU A 27 19.608 0.092 -5.556 1.00 1.65 H new ATOM 0 HB2 LEU A 27 16.877 -0.634 -6.642 1.00 1.62 H new ATOM 0 HB3 LEU A 27 18.142 -1.837 -6.795 1.00 1.62 H new ATOM 0 HG LEU A 27 18.603 -1.791 -4.504 1.00 1.32 H new ATOM 0 HD11 LEU A 27 17.318 -0.679 -2.733 1.00 0.90 H new ATOM 0 HD12 LEU A 27 18.305 0.421 -3.725 1.00 0.90 H new ATOM 0 HD13 LEU A 27 16.545 0.334 -3.975 1.00 0.90 H new ATOM 0 HD21 LEU A 27 16.304 -2.575 -3.592 1.00 1.49 H new ATOM 0 HD22 LEU A 27 15.547 -1.797 -5.001 1.00 1.49 H new ATOM 0 HD23 LEU A 27 16.628 -3.192 -5.229 1.00 1.49 H new ATOM 195 N ASP A 28 19.244 0.635 -8.701 1.00 2.21 N ATOM 196 CA ASP A 28 20.025 0.849 -9.925 1.00 2.63 C ATOM 197 C ASP A 28 21.038 2.016 -9.834 1.00 2.62 C ATOM 198 O ASP A 28 22.085 1.955 -10.481 1.00 2.82 O ATOM 199 CB ASP A 28 19.100 0.963 -11.142 1.00 3.08 C ATOM 200 CG ASP A 28 19.862 0.559 -12.404 1.00 4.00 C ATOM 201 OD1 ASP A 28 19.918 -0.656 -12.712 1.00 5.42 O ATOM 202 OD2 ASP A 28 20.456 1.431 -13.075 1.00 3.78 O ATOM 0 H ASP A 28 18.295 1.006 -8.755 1.00 2.21 H new ATOM 0 HA ASP A 28 20.649 -0.036 -10.053 1.00 2.63 H new ATOM 0 HB2 ASP A 28 18.228 0.322 -11.010 1.00 3.08 H new ATOM 0 HB3 ASP A 28 18.733 1.985 -11.238 1.00 3.08 H new ATOM 207 N GLU A 29 20.811 3.033 -8.994 1.00 2.46 N ATOM 208 CA GLU A 29 21.806 4.059 -8.640 1.00 2.54 C ATOM 209 C GLU A 29 23.022 3.451 -7.923 1.00 2.49 C ATOM 210 O GLU A 29 24.159 3.605 -8.380 1.00 2.86 O ATOM 211 CB GLU A 29 21.169 5.145 -7.741 1.00 2.43 C ATOM 212 CG GLU A 29 20.739 6.393 -8.513 1.00 2.74 C ATOM 213 CD GLU A 29 20.339 7.539 -7.574 1.00 2.61 C ATOM 214 OE1 GLU A 29 21.181 7.988 -6.762 1.00 2.71 O ATOM 215 OE2 GLU A 29 19.210 8.072 -7.699 1.00 3.67 O ATOM 0 H GLU A 29 19.913 3.171 -8.531 1.00 2.46 H new ATOM 0 HA GLU A 29 22.148 4.510 -9.572 1.00 2.54 H new ATOM 0 HB2 GLU A 29 20.302 4.724 -7.233 1.00 2.43 H new ATOM 0 HB3 GLU A 29 21.882 5.432 -6.969 1.00 2.43 H new ATOM 0 HG2 GLU A 29 21.555 6.720 -9.157 1.00 2.74 H new ATOM 0 HG3 GLU A 29 19.899 6.146 -9.163 1.00 2.74 H new ATOM 222 N ASN A 30 22.785 2.756 -6.807 1.00 2.10 N ATOM 223 CA ASN A 30 23.801 2.341 -5.842 1.00 2.00 C ATOM 224 C ASN A 30 23.819 0.812 -5.628 1.00 1.91 C ATOM 225 O ASN A 30 23.252 0.312 -4.661 1.00 1.82 O ATOM 226 CB ASN A 30 23.614 3.165 -4.542 1.00 1.82 C ATOM 227 CG ASN A 30 22.175 3.326 -4.066 1.00 1.55 C ATOM 228 OD1 ASN A 30 21.647 4.429 -3.988 1.00 1.71 O ATOM 229 ND2 ASN A 30 21.510 2.235 -3.761 1.00 1.29 N ATOM 0 H ASN A 30 21.846 2.457 -6.543 1.00 2.10 H new ATOM 0 HA ASN A 30 24.795 2.557 -6.234 1.00 2.00 H new ATOM 0 HB2 ASN A 30 24.190 2.692 -3.747 1.00 1.82 H new ATOM 0 HB3 ASN A 30 24.040 4.156 -4.697 1.00 1.82 H new ATOM 0 HD21 ASN A 30 20.539 2.298 -3.454 1.00 1.29 H new ATOM 0 HD22 ASN A 30 21.964 1.324 -3.831 1.00 1.29 H new ATOM 236 N ASN A 31 24.488 0.064 -6.512 1.00 2.12 N ATOM 237 CA ASN A 31 24.998 -1.301 -6.281 1.00 2.22 C ATOM 238 C ASN A 31 23.999 -2.296 -5.630 1.00 2.09 C ATOM 239 O ASN A 31 24.379 -3.097 -4.768 1.00 2.11 O ATOM 240 CB ASN A 31 26.342 -1.175 -5.527 1.00 2.21 C ATOM 241 CG ASN A 31 27.256 -2.389 -5.632 1.00 3.51 C ATOM 242 OD1 ASN A 31 27.174 -3.202 -6.547 1.00 4.20 O ATOM 243 ND2 ASN A 31 28.207 -2.505 -4.737 1.00 4.24 N ATOM 0 H ASN A 31 24.700 0.404 -7.450 1.00 2.12 H new ATOM 0 HA ASN A 31 25.153 -1.774 -7.251 1.00 2.22 H new ATOM 0 HB2 ASN A 31 26.875 -0.304 -5.908 1.00 2.21 H new ATOM 0 HB3 ASN A 31 26.134 -0.986 -4.474 1.00 2.21 H new ATOM 0 HD21 ASN A 31 28.878 -3.271 -4.802 1.00 4.24 H new ATOM 0 HD22 ASN A 31 28.276 -1.830 -3.976 1.00 4.24 H new ATOM 250 N TYR A 32 22.713 -2.224 -5.995 1.00 2.04 N ATOM 251 CA TYR A 32 21.615 -3.008 -5.421 1.00 1.92 C ATOM 252 C TYR A 32 21.457 -2.864 -3.887 1.00 1.57 C ATOM 253 O TYR A 32 21.213 -3.842 -3.178 1.00 1.70 O ATOM 254 CB TYR A 32 21.680 -4.461 -5.941 1.00 2.33 C ATOM 255 CG TYR A 32 20.341 -5.105 -6.263 1.00 2.44 C ATOM 256 CD1 TYR A 32 19.179 -4.786 -5.531 1.00 2.82 C ATOM 257 CD2 TYR A 32 20.259 -6.023 -7.328 1.00 3.34 C ATOM 258 CE1 TYR A 32 17.945 -5.368 -5.868 1.00 2.96 C ATOM 259 CE2 TYR A 32 19.025 -6.613 -7.666 1.00 3.57 C ATOM 260 CZ TYR A 32 17.861 -6.283 -6.940 1.00 2.89 C ATOM 261 OH TYR A 32 16.663 -6.829 -7.280 1.00 3.19 O ATOM 0 H TYR A 32 22.397 -1.591 -6.730 1.00 2.04 H new ATOM 0 HA TYR A 32 20.677 -2.582 -5.778 1.00 1.92 H new ATOM 0 HB2 TYR A 32 22.297 -4.479 -6.840 1.00 2.33 H new ATOM 0 HB3 TYR A 32 22.187 -5.073 -5.194 1.00 2.33 H new ATOM 0 HD1 TYR A 32 19.238 -4.091 -4.707 1.00 2.82 H new ATOM 0 HD2 TYR A 32 21.147 -6.276 -7.889 1.00 3.34 H new ATOM 0 HE1 TYR A 32 17.059 -5.115 -5.305 1.00 2.96 H new ATOM 0 HE2 TYR A 32 18.970 -7.319 -8.482 1.00 3.57 H new ATOM 0 HH TYR A 32 16.784 -7.436 -8.040 1.00 3.19 H new ATOM 271 N ASP A 33 21.594 -1.649 -3.338 1.00 1.27 N ATOM 272 CA ASP A 33 21.588 -1.374 -1.889 1.00 1.07 C ATOM 273 C ASP A 33 20.177 -1.332 -1.252 1.00 0.90 C ATOM 274 O ASP A 33 19.711 -0.352 -0.658 1.00 0.78 O ATOM 275 CB ASP A 33 22.499 -0.192 -1.521 1.00 1.11 C ATOM 276 CG ASP A 33 23.142 -0.355 -0.142 1.00 1.27 C ATOM 277 OD1 ASP A 33 22.607 -1.098 0.717 1.00 1.91 O ATOM 278 OD2 ASP A 33 24.237 0.215 0.066 1.00 2.02 O ATOM 0 H ASP A 33 21.715 -0.807 -3.901 1.00 1.27 H new ATOM 0 HA ASP A 33 22.038 -2.246 -1.414 1.00 1.07 H new ATOM 0 HB2 ASP A 33 23.281 -0.092 -2.274 1.00 1.11 H new ATOM 0 HB3 ASP A 33 21.918 0.730 -1.541 1.00 1.11 H new ATOM 283 N ARG A 34 19.497 -2.473 -1.383 1.00 1.02 N ATOM 284 CA ARG A 34 18.186 -2.804 -0.794 1.00 1.03 C ATOM 285 C ARG A 34 18.145 -2.742 0.739 1.00 1.07 C ATOM 286 O ARG A 34 17.057 -2.699 1.313 1.00 1.13 O ATOM 287 CB ARG A 34 17.730 -4.162 -1.357 1.00 1.31 C ATOM 288 CG ARG A 34 18.402 -5.384 -0.702 1.00 2.03 C ATOM 289 CD ARG A 34 18.482 -6.603 -1.634 1.00 2.31 C ATOM 290 NE ARG A 34 17.235 -6.876 -2.374 1.00 2.70 N ATOM 291 CZ ARG A 34 17.114 -7.699 -3.400 1.00 3.44 C ATOM 292 NH1 ARG A 34 18.077 -8.468 -3.813 1.00 3.84 N ATOM 293 NH2 ARG A 34 16.009 -7.768 -4.069 1.00 4.79 N ATOM 0 H ARG A 34 19.867 -3.244 -1.939 1.00 1.02 H new ATOM 0 HA ARG A 34 17.477 -2.030 -1.087 1.00 1.03 H new ATOM 0 HB2 ARG A 34 16.650 -4.248 -1.234 1.00 1.31 H new ATOM 0 HB3 ARG A 34 17.932 -4.183 -2.428 1.00 1.31 H new ATOM 0 HG2 ARG A 34 19.408 -5.111 -0.385 1.00 2.03 H new ATOM 0 HG3 ARG A 34 17.848 -5.657 0.196 1.00 2.03 H new ATOM 0 HD2 ARG A 34 19.290 -6.448 -2.349 1.00 2.31 H new ATOM 0 HD3 ARG A 34 18.742 -7.482 -1.044 1.00 2.31 H new ATOM 0 HE ARG A 34 16.394 -6.387 -2.067 1.00 2.70 H new ATOM 0 HH11 ARG A 34 18.980 -8.454 -3.339 1.00 3.84 H new ATOM 0 HH12 ARG A 34 17.930 -9.086 -4.611 1.00 3.84 H new ATOM 0 HH21 ARG A 34 15.216 -7.182 -3.806 1.00 4.79 H new ATOM 0 HH22 ARG A 34 15.930 -8.408 -4.859 1.00 4.79 H new ATOM 307 N GLU A 35 19.303 -2.664 1.396 1.00 1.16 N ATOM 308 CA GLU A 35 19.431 -2.307 2.817 1.00 1.33 C ATOM 309 C GLU A 35 19.224 -0.796 3.021 1.00 1.24 C ATOM 310 O GLU A 35 18.326 -0.404 3.768 1.00 1.39 O ATOM 311 CB GLU A 35 20.802 -2.729 3.370 1.00 1.64 C ATOM 312 CG GLU A 35 21.015 -4.246 3.452 1.00 1.94 C ATOM 313 CD GLU A 35 22.501 -4.561 3.654 1.00 2.47 C ATOM 314 OE1 GLU A 35 22.972 -4.618 4.816 1.00 3.26 O ATOM 315 OE2 GLU A 35 23.229 -4.727 2.647 1.00 3.04 O ATOM 0 H GLU A 35 20.200 -2.851 0.949 1.00 1.16 H new ATOM 0 HA GLU A 35 18.657 -2.844 3.365 1.00 1.33 H new ATOM 0 HB2 GLU A 35 21.581 -2.299 2.741 1.00 1.64 H new ATOM 0 HB3 GLU A 35 20.925 -2.303 4.366 1.00 1.64 H new ATOM 0 HG2 GLU A 35 20.433 -4.658 4.276 1.00 1.94 H new ATOM 0 HG3 GLU A 35 20.656 -4.721 2.539 1.00 1.94 H new ATOM 322 N ARG A 36 19.984 0.063 2.316 1.00 1.15 N ATOM 323 CA ARG A 36 19.863 1.538 2.403 1.00 1.24 C ATOM 324 C ARG A 36 18.486 2.049 1.987 1.00 1.12 C ATOM 325 O ARG A 36 18.001 3.013 2.587 1.00 1.44 O ATOM 326 CB ARG A 36 20.920 2.228 1.520 1.00 1.31 C ATOM 327 CG ARG A 36 22.362 2.040 1.997 1.00 1.71 C ATOM 328 CD ARG A 36 22.710 2.815 3.266 1.00 2.01 C ATOM 329 NE ARG A 36 24.105 2.538 3.631 1.00 2.18 N ATOM 330 CZ ARG A 36 24.769 3.015 4.660 1.00 2.85 C ATOM 331 NH1 ARG A 36 24.257 3.867 5.500 1.00 4.24 N ATOM 332 NH2 ARG A 36 25.988 2.613 4.839 1.00 3.13 N ATOM 0 H ARG A 36 20.706 -0.245 1.664 1.00 1.15 H new ATOM 0 HA ARG A 36 20.019 1.785 3.453 1.00 1.24 H new ATOM 0 HB2 ARG A 36 20.833 1.844 0.504 1.00 1.31 H new ATOM 0 HB3 ARG A 36 20.700 3.295 1.478 1.00 1.31 H new ATOM 0 HG2 ARG A 36 22.539 0.979 2.173 1.00 1.71 H new ATOM 0 HG3 ARG A 36 23.039 2.348 1.200 1.00 1.71 H new ATOM 0 HD2 ARG A 36 22.569 3.884 3.105 1.00 2.01 H new ATOM 0 HD3 ARG A 36 22.044 2.525 4.079 1.00 2.01 H new ATOM 0 HE ARG A 36 24.616 1.904 3.017 1.00 2.18 H new ATOM 0 HH11 ARG A 36 23.299 4.194 5.375 1.00 4.24 H new ATOM 0 HH12 ARG A 36 24.814 4.208 6.284 1.00 4.24 H new ATOM 0 HH21 ARG A 36 26.405 1.945 4.191 1.00 3.13 H new ATOM 0 HH22 ARG A 36 26.530 2.964 5.628 1.00 3.13 H new ATOM 346 N CYS A 37 17.854 1.394 1.008 1.00 0.79 N ATOM 347 CA CYS A 37 16.496 1.723 0.547 1.00 0.67 C ATOM 348 C CYS A 37 15.380 0.783 1.077 1.00 0.71 C ATOM 349 O CYS A 37 14.247 0.865 0.607 1.00 0.80 O ATOM 350 CB CYS A 37 16.517 1.961 -0.978 1.00 0.54 C ATOM 351 SG CYS A 37 17.136 3.621 -1.414 1.00 0.92 S ATOM 0 H CYS A 37 18.273 0.611 0.506 1.00 0.79 H new ATOM 0 HA CYS A 37 16.193 2.662 1.011 1.00 0.67 H new ATOM 0 HB2 CYS A 37 17.144 1.206 -1.452 1.00 0.54 H new ATOM 0 HB3 CYS A 37 15.510 1.835 -1.377 1.00 0.54 H new ATOM 356 N SER A 38 15.629 -0.032 2.119 1.00 0.83 N ATOM 357 CA SER A 38 14.591 -0.839 2.811 1.00 0.98 C ATOM 358 C SER A 38 13.385 -0.014 3.299 1.00 1.03 C ATOM 359 O SER A 38 12.283 -0.542 3.418 1.00 1.10 O ATOM 360 CB SER A 38 15.192 -1.544 4.039 1.00 1.26 C ATOM 361 OG SER A 38 15.855 -2.748 3.697 1.00 1.71 O ATOM 0 H SER A 38 16.562 -0.154 2.512 1.00 0.83 H new ATOM 0 HA SER A 38 14.239 -1.552 2.065 1.00 0.98 H new ATOM 0 HB2 SER A 38 15.895 -0.873 4.533 1.00 1.26 H new ATOM 0 HB3 SER A 38 14.399 -1.759 4.756 1.00 1.26 H new ATOM 0 HG SER A 38 16.268 -2.654 2.813 1.00 1.71 H new ATOM 367 N THR A 39 13.554 1.283 3.569 1.00 1.06 N ATOM 368 CA THR A 39 12.472 2.189 3.991 1.00 1.13 C ATOM 369 C THR A 39 11.397 2.393 2.913 1.00 1.13 C ATOM 370 O THR A 39 10.208 2.456 3.222 1.00 1.23 O ATOM 371 CB THR A 39 13.078 3.510 4.484 1.00 1.28 C ATOM 372 OG1 THR A 39 12.166 4.203 5.303 1.00 2.85 O ATOM 373 CG2 THR A 39 13.588 4.456 3.396 1.00 2.44 C ATOM 0 H THR A 39 14.461 1.745 3.501 1.00 1.06 H new ATOM 0 HA THR A 39 11.939 1.720 4.818 1.00 1.13 H new ATOM 0 HB THR A 39 13.960 3.199 5.045 1.00 1.28 H new ATOM 0 HG1 THR A 39 12.572 5.041 5.608 1.00 2.85 H new ATOM 0 HG21 THR A 39 13.994 5.356 3.858 1.00 2.44 H new ATOM 0 HG22 THR A 39 14.369 3.960 2.819 1.00 2.44 H new ATOM 0 HG23 THR A 39 12.765 4.727 2.735 1.00 2.44 H new ATOM 381 N TYR A 40 11.788 2.375 1.637 1.00 1.02 N ATOM 382 CA TYR A 40 10.862 2.431 0.497 1.00 1.01 C ATOM 383 C TYR A 40 9.985 1.169 0.454 1.00 0.99 C ATOM 384 O TYR A 40 8.756 1.240 0.411 1.00 1.08 O ATOM 385 CB TYR A 40 11.636 2.562 -0.828 1.00 0.88 C ATOM 386 CG TYR A 40 12.378 3.869 -1.072 1.00 0.97 C ATOM 387 CD1 TYR A 40 13.484 4.236 -0.280 1.00 2.03 C ATOM 388 CD2 TYR A 40 11.992 4.696 -2.144 1.00 1.92 C ATOM 389 CE1 TYR A 40 14.153 5.451 -0.516 1.00 2.10 C ATOM 390 CE2 TYR A 40 12.667 5.903 -2.398 1.00 2.03 C ATOM 391 CZ TYR A 40 13.738 6.297 -1.566 1.00 1.29 C ATOM 392 OH TYR A 40 14.364 7.494 -1.740 1.00 1.48 O ATOM 0 H TYR A 40 12.768 2.320 1.360 1.00 1.02 H new ATOM 0 HA TYR A 40 10.226 3.307 0.625 1.00 1.01 H new ATOM 0 HB2 TYR A 40 12.359 1.748 -0.879 1.00 0.88 H new ATOM 0 HB3 TYR A 40 10.932 2.415 -1.647 1.00 0.88 H new ATOM 0 HD1 TYR A 40 13.820 3.582 0.511 1.00 2.03 H new ATOM 0 HD2 TYR A 40 11.169 4.400 -2.778 1.00 1.92 H new ATOM 0 HE1 TYR A 40 14.987 5.737 0.108 1.00 2.10 H new ATOM 0 HE2 TYR A 40 12.367 6.527 -3.227 1.00 2.03 H new ATOM 0 HH TYR A 40 13.967 7.963 -2.504 1.00 1.48 H new ATOM 402 N PHE A 41 10.624 -0.001 0.548 1.00 0.91 N ATOM 403 CA PHE A 41 9.943 -1.298 0.564 1.00 0.95 C ATOM 404 C PHE A 41 9.059 -1.485 1.815 1.00 1.06 C ATOM 405 O PHE A 41 8.005 -2.118 1.746 1.00 1.08 O ATOM 406 CB PHE A 41 11.011 -2.390 0.413 1.00 0.93 C ATOM 407 CG PHE A 41 10.483 -3.804 0.269 1.00 1.57 C ATOM 408 CD1 PHE A 41 9.488 -4.111 -0.681 1.00 2.80 C ATOM 409 CD2 PHE A 41 11.024 -4.830 1.066 1.00 2.68 C ATOM 410 CE1 PHE A 41 9.017 -5.430 -0.810 1.00 3.93 C ATOM 411 CE2 PHE A 41 10.563 -6.152 0.929 1.00 3.81 C ATOM 412 CZ PHE A 41 9.553 -6.450 -0.005 1.00 4.17 C ATOM 0 H PHE A 41 11.639 -0.074 0.616 1.00 0.91 H new ATOM 0 HA PHE A 41 9.244 -1.361 -0.270 1.00 0.95 H new ATOM 0 HB2 PHE A 41 11.622 -2.158 -0.460 1.00 0.93 H new ATOM 0 HB3 PHE A 41 11.669 -2.353 1.281 1.00 0.93 H new ATOM 0 HD1 PHE A 41 9.086 -3.331 -1.311 1.00 2.80 H new ATOM 0 HD2 PHE A 41 11.796 -4.602 1.786 1.00 2.68 H new ATOM 0 HE1 PHE A 41 8.243 -5.659 -1.528 1.00 3.93 H new ATOM 0 HE2 PHE A 41 10.983 -6.937 1.540 1.00 3.81 H new ATOM 0 HZ PHE A 41 9.190 -7.462 -0.103 1.00 4.17 H new ATOM 422 N LEU A 42 9.414 -0.846 2.936 1.00 1.16 N ATOM 423 CA LEU A 42 8.556 -0.738 4.118 1.00 1.28 C ATOM 424 C LEU A 42 7.301 0.105 3.862 1.00 1.31 C ATOM 425 O LEU A 42 6.196 -0.369 4.121 1.00 1.38 O ATOM 426 CB LEU A 42 9.398 -0.220 5.301 1.00 1.37 C ATOM 427 CG LEU A 42 8.599 0.257 6.527 1.00 1.41 C ATOM 428 CD1 LEU A 42 7.783 -0.858 7.163 1.00 1.42 C ATOM 429 CD2 LEU A 42 9.553 0.806 7.578 1.00 1.52 C ATOM 0 H LEU A 42 10.317 -0.384 3.047 1.00 1.16 H new ATOM 0 HA LEU A 42 8.174 -1.727 4.370 1.00 1.28 H new ATOM 0 HB2 LEU A 42 10.075 -1.014 5.617 1.00 1.37 H new ATOM 0 HB3 LEU A 42 10.017 0.605 4.949 1.00 1.37 H new ATOM 0 HG LEU A 42 7.912 1.026 6.175 1.00 1.41 H new ATOM 0 HD11 LEU A 42 7.240 -0.466 8.023 1.00 1.42 H new ATOM 0 HD12 LEU A 42 7.074 -1.251 6.434 1.00 1.42 H new ATOM 0 HD13 LEU A 42 8.450 -1.657 7.488 1.00 1.42 H new ATOM 0 HD21 LEU A 42 8.985 1.143 8.445 1.00 1.52 H new ATOM 0 HD22 LEU A 42 10.249 0.024 7.882 1.00 1.52 H new ATOM 0 HD23 LEU A 42 10.110 1.645 7.161 1.00 1.52 H new ATOM 441 N ARG A 43 7.430 1.309 3.298 1.00 1.28 N ATOM 442 CA ARG A 43 6.261 2.131 2.920 1.00 1.32 C ATOM 443 C ARG A 43 5.369 1.411 1.906 1.00 1.23 C ATOM 444 O ARG A 43 4.145 1.538 1.951 1.00 1.28 O ATOM 445 CB ARG A 43 6.728 3.477 2.365 1.00 1.31 C ATOM 446 CG ARG A 43 7.510 4.315 3.390 1.00 1.63 C ATOM 447 CD ARG A 43 8.360 5.344 2.640 1.00 1.86 C ATOM 448 NE ARG A 43 9.402 5.943 3.486 1.00 2.86 N ATOM 449 CZ ARG A 43 10.459 6.599 3.051 1.00 3.95 C ATOM 450 NH1 ARG A 43 10.647 6.856 1.786 1.00 4.15 N ATOM 451 NH2 ARG A 43 11.358 7.002 3.900 1.00 5.49 N ATOM 0 H ARG A 43 8.330 1.742 3.090 1.00 1.28 H new ATOM 0 HA ARG A 43 5.664 2.301 3.816 1.00 1.32 H new ATOM 0 HB2 ARG A 43 7.356 3.304 1.491 1.00 1.31 H new ATOM 0 HB3 ARG A 43 5.861 4.044 2.027 1.00 1.31 H new ATOM 0 HG2 ARG A 43 6.822 4.817 4.070 1.00 1.63 H new ATOM 0 HG3 ARG A 43 8.146 3.671 3.998 1.00 1.63 H new ATOM 0 HD2 ARG A 43 8.827 4.865 1.779 1.00 1.86 H new ATOM 0 HD3 ARG A 43 7.713 6.132 2.254 1.00 1.86 H new ATOM 0 HE ARG A 43 9.298 5.842 4.496 1.00 2.86 H new ATOM 0 HH11 ARG A 43 9.963 6.546 1.096 1.00 4.15 H new ATOM 0 HH12 ARG A 43 11.478 7.367 1.487 1.00 4.15 H new ATOM 0 HH21 ARG A 43 11.242 6.810 4.895 1.00 5.49 H new ATOM 0 HH22 ARG A 43 12.179 7.510 3.571 1.00 5.49 H new ATOM 465 N TYR A 44 5.970 0.580 1.055 1.00 1.16 N ATOM 466 CA TYR A 44 5.245 -0.264 0.103 1.00 1.13 C ATOM 467 C TYR A 44 4.461 -1.375 0.824 1.00 1.22 C ATOM 468 O TYR A 44 3.275 -1.557 0.542 1.00 1.27 O ATOM 469 CB TYR A 44 6.238 -0.784 -0.942 1.00 1.05 C ATOM 470 CG TYR A 44 5.656 -1.673 -2.016 1.00 1.10 C ATOM 471 CD1 TYR A 44 5.586 -3.065 -1.818 1.00 1.85 C ATOM 472 CD2 TYR A 44 5.258 -1.112 -3.243 1.00 2.46 C ATOM 473 CE1 TYR A 44 5.124 -3.901 -2.853 1.00 1.92 C ATOM 474 CE2 TYR A 44 4.795 -1.945 -4.280 1.00 2.50 C ATOM 475 CZ TYR A 44 4.733 -3.341 -4.088 1.00 1.30 C ATOM 476 OH TYR A 44 4.311 -4.135 -5.105 1.00 1.45 O ATOM 0 H TYR A 44 6.983 0.472 1.006 1.00 1.16 H new ATOM 0 HA TYR A 44 4.486 0.317 -0.420 1.00 1.13 H new ATOM 0 HB2 TYR A 44 6.712 0.072 -1.423 1.00 1.05 H new ATOM 0 HB3 TYR A 44 7.024 -1.336 -0.426 1.00 1.05 H new ATOM 0 HD1 TYR A 44 5.887 -3.492 -0.873 1.00 1.85 H new ATOM 0 HD2 TYR A 44 5.307 -0.043 -3.390 1.00 2.46 H new ATOM 0 HE1 TYR A 44 5.069 -4.969 -2.702 1.00 1.92 H new ATOM 0 HE2 TYR A 44 4.488 -1.515 -5.222 1.00 2.50 H new ATOM 0 HH TYR A 44 3.886 -4.938 -4.738 1.00 1.45 H new ATOM 486 N LYS A 45 5.066 -2.025 1.834 1.00 1.28 N ATOM 487 CA LYS A 45 4.372 -2.914 2.785 1.00 1.44 C ATOM 488 C LYS A 45 3.184 -2.208 3.445 1.00 1.51 C ATOM 489 O LYS A 45 2.071 -2.717 3.358 1.00 1.63 O ATOM 490 CB LYS A 45 5.347 -3.462 3.858 1.00 1.76 C ATOM 491 CG LYS A 45 5.554 -4.983 3.777 1.00 1.70 C ATOM 492 CD LYS A 45 6.461 -5.422 2.614 1.00 2.32 C ATOM 493 CE LYS A 45 7.941 -5.123 2.887 1.00 3.69 C ATOM 494 NZ LYS A 45 8.556 -6.115 3.801 1.00 3.64 N ATOM 0 H LYS A 45 6.067 -1.947 2.016 1.00 1.28 H new ATOM 0 HA LYS A 45 3.987 -3.759 2.215 1.00 1.44 H new ATOM 0 HB2 LYS A 45 6.311 -2.966 3.749 1.00 1.76 H new ATOM 0 HB3 LYS A 45 4.967 -3.207 4.847 1.00 1.76 H new ATOM 0 HG2 LYS A 45 5.986 -5.333 4.715 1.00 1.70 H new ATOM 0 HG3 LYS A 45 4.583 -5.468 3.672 1.00 1.70 H new ATOM 0 HD2 LYS A 45 6.334 -6.491 2.440 1.00 2.32 H new ATOM 0 HD3 LYS A 45 6.151 -4.912 1.702 1.00 2.32 H new ATOM 0 HE2 LYS A 45 8.487 -5.114 1.944 1.00 3.69 H new ATOM 0 HE3 LYS A 45 8.034 -4.127 3.320 1.00 3.69 H new ATOM 0 HZ1 LYS A 45 8.832 -5.646 4.687 1.00 3.64 H new ATOM 0 HZ2 LYS A 45 7.870 -6.869 4.007 1.00 3.64 H new ATOM 0 HZ3 LYS A 45 9.398 -6.527 3.351 1.00 3.64 H new ATOM 508 N ASN A 46 3.382 -1.033 4.047 1.00 1.49 N ATOM 509 CA ASN A 46 2.331 -0.299 4.773 1.00 1.52 C ATOM 510 C ASN A 46 1.155 0.113 3.863 1.00 1.59 C ATOM 511 O ASN A 46 -0.002 0.072 4.285 1.00 1.72 O ATOM 512 CB ASN A 46 2.936 0.968 5.416 1.00 1.52 C ATOM 513 CG ASN A 46 4.196 0.774 6.248 1.00 1.49 C ATOM 514 OD1 ASN A 46 4.414 -0.234 6.910 1.00 1.55 O ATOM 515 ND2 ASN A 46 5.065 1.757 6.229 1.00 1.45 N ATOM 0 H ASN A 46 4.283 -0.556 4.047 1.00 1.49 H new ATOM 0 HA ASN A 46 1.939 -0.973 5.535 1.00 1.52 H new ATOM 0 HB2 ASN A 46 3.159 1.680 4.622 1.00 1.52 H new ATOM 0 HB3 ASN A 46 2.176 1.425 6.050 1.00 1.52 H new ATOM 0 HD21 ASN A 46 5.928 1.685 6.767 1.00 1.45 H new ATOM 0 HD22 ASN A 46 4.877 2.593 5.676 1.00 1.45 H new ATOM 522 N CYS A 47 1.451 0.491 2.615 1.00 1.58 N ATOM 523 CA CYS A 47 0.489 0.816 1.566 1.00 1.66 C ATOM 524 C CYS A 47 -0.385 -0.379 1.175 1.00 1.73 C ATOM 525 O CYS A 47 -1.616 -0.295 1.261 1.00 1.88 O ATOM 526 CB CYS A 47 1.308 1.383 0.397 1.00 1.77 C ATOM 527 SG CYS A 47 0.448 1.772 -1.144 1.00 1.78 S ATOM 0 H CYS A 47 2.416 0.582 2.297 1.00 1.58 H new ATOM 0 HA CYS A 47 -0.234 1.554 1.913 1.00 1.66 H new ATOM 0 HB2 CYS A 47 1.796 2.294 0.744 1.00 1.77 H new ATOM 0 HB3 CYS A 47 2.097 0.667 0.166 1.00 1.77 H new ATOM 532 N ARG A 48 0.221 -1.527 0.837 1.00 1.67 N ATOM 533 CA ARG A 48 -0.552 -2.714 0.453 1.00 1.79 C ATOM 534 C ARG A 48 -1.237 -3.394 1.636 1.00 1.56 C ATOM 535 O ARG A 48 -2.360 -3.867 1.474 1.00 1.43 O ATOM 536 CB ARG A 48 0.283 -3.628 -0.451 1.00 2.12 C ATOM 537 CG ARG A 48 1.457 -4.377 0.196 1.00 1.57 C ATOM 538 CD ARG A 48 1.019 -5.686 0.858 1.00 2.76 C ATOM 539 NE ARG A 48 2.183 -6.555 1.116 1.00 3.57 N ATOM 540 CZ ARG A 48 2.553 -7.093 2.264 1.00 5.46 C ATOM 541 NH1 ARG A 48 1.824 -7.032 3.339 1.00 7.00 N ATOM 542 NH2 ARG A 48 3.692 -7.706 2.356 1.00 6.12 N ATOM 0 H ARG A 48 1.233 -1.657 0.822 1.00 1.67 H new ATOM 0 HA ARG A 48 -1.399 -2.397 -0.155 1.00 1.79 H new ATOM 0 HB2 ARG A 48 -0.385 -4.367 -0.894 1.00 2.12 H new ATOM 0 HB3 ARG A 48 0.677 -3.025 -1.269 1.00 2.12 H new ATOM 0 HG2 ARG A 48 2.210 -4.591 -0.562 1.00 1.57 H new ATOM 0 HG3 ARG A 48 1.927 -3.736 0.941 1.00 1.57 H new ATOM 0 HD2 ARG A 48 0.505 -5.471 1.795 1.00 2.76 H new ATOM 0 HD3 ARG A 48 0.307 -6.204 0.215 1.00 2.76 H new ATOM 0 HE ARG A 48 2.773 -6.766 0.311 1.00 3.57 H new ATOM 0 HH11 ARG A 48 0.924 -6.553 3.318 1.00 7.00 H new ATOM 0 HH12 ARG A 48 2.152 -7.463 4.203 1.00 7.00 H new ATOM 0 HH21 ARG A 48 4.302 -7.773 1.542 1.00 6.12 H new ATOM 0 HH22 ARG A 48 3.977 -8.121 3.243 1.00 6.12 H new ATOM 556 N ARG A 49 -0.619 -3.372 2.827 1.00 1.52 N ATOM 557 CA ARG A 49 -1.155 -3.929 4.086 1.00 1.39 C ATOM 558 C ARG A 49 -2.447 -3.244 4.504 1.00 1.23 C ATOM 559 O ARG A 49 -3.356 -3.930 4.971 1.00 1.13 O ATOM 560 CB ARG A 49 -0.107 -3.822 5.210 1.00 1.41 C ATOM 561 CG ARG A 49 -0.573 -4.426 6.551 1.00 1.31 C ATOM 562 CD ARG A 49 0.422 -4.149 7.682 1.00 1.59 C ATOM 563 NE ARG A 49 1.690 -4.868 7.475 1.00 2.04 N ATOM 564 CZ ARG A 49 2.912 -4.373 7.464 1.00 3.16 C ATOM 565 NH1 ARG A 49 3.202 -3.119 7.657 1.00 4.07 N ATOM 566 NH2 ARG A 49 3.912 -5.168 7.248 1.00 4.22 N ATOM 0 H ARG A 49 0.302 -2.951 2.948 1.00 1.52 H new ATOM 0 HA ARG A 49 -1.382 -4.980 3.908 1.00 1.39 H new ATOM 0 HB2 ARG A 49 0.806 -4.325 4.893 1.00 1.41 H new ATOM 0 HB3 ARG A 49 0.144 -2.772 5.362 1.00 1.41 H new ATOM 0 HG2 ARG A 49 -1.547 -4.013 6.816 1.00 1.31 H new ATOM 0 HG3 ARG A 49 -0.703 -5.502 6.438 1.00 1.31 H new ATOM 0 HD2 ARG A 49 0.616 -3.078 7.743 1.00 1.59 H new ATOM 0 HD3 ARG A 49 -0.016 -4.448 8.634 1.00 1.59 H new ATOM 0 HE ARG A 49 1.614 -5.873 7.321 1.00 2.04 H new ATOM 0 HH11 ARG A 49 2.457 -2.444 7.832 1.00 4.07 H new ATOM 0 HH12 ARG A 49 4.174 -2.811 7.634 1.00 4.07 H new ATOM 0 HH21 ARG A 49 3.748 -6.162 7.089 1.00 4.22 H new ATOM 0 HH22 ARG A 49 4.863 -4.800 7.236 1.00 4.22 H new ATOM 580 N PHE A 50 -2.566 -1.933 4.294 1.00 1.23 N ATOM 581 CA PHE A 50 -3.770 -1.203 4.694 1.00 1.06 C ATOM 582 C PHE A 50 -4.981 -1.720 3.917 1.00 0.98 C ATOM 583 O PHE A 50 -5.942 -2.257 4.474 1.00 0.79 O ATOM 584 CB PHE A 50 -3.584 0.301 4.460 1.00 1.11 C ATOM 585 CG PHE A 50 -4.804 1.086 4.893 1.00 0.96 C ATOM 586 CD1 PHE A 50 -5.032 1.337 6.259 1.00 1.78 C ATOM 587 CD2 PHE A 50 -5.761 1.479 3.940 1.00 2.01 C ATOM 588 CE1 PHE A 50 -6.220 1.966 6.670 1.00 1.82 C ATOM 589 CE2 PHE A 50 -6.951 2.103 4.349 1.00 1.90 C ATOM 590 CZ PHE A 50 -7.185 2.336 5.715 1.00 0.79 C ATOM 0 H PHE A 50 -1.849 -1.358 3.852 1.00 1.23 H new ATOM 0 HA PHE A 50 -3.943 -1.367 5.758 1.00 1.06 H new ATOM 0 HB2 PHE A 50 -2.711 0.651 5.011 1.00 1.11 H new ATOM 0 HB3 PHE A 50 -3.388 0.484 3.403 1.00 1.11 H new ATOM 0 HD1 PHE A 50 -4.294 1.046 6.992 1.00 1.78 H new ATOM 0 HD2 PHE A 50 -5.580 1.300 2.890 1.00 2.01 H new ATOM 0 HE1 PHE A 50 -6.392 2.165 7.717 1.00 1.82 H new ATOM 0 HE2 PHE A 50 -7.685 2.403 3.615 1.00 1.90 H new ATOM 0 HZ PHE A 50 -8.107 2.800 6.032 1.00 0.79 H new ATOM 600 N TRP A 51 -4.874 -1.637 2.594 1.00 1.12 N ATOM 601 CA TRP A 51 -5.955 -2.035 1.698 1.00 1.06 C ATOM 602 C TRP A 51 -6.222 -3.551 1.715 1.00 1.05 C ATOM 603 O TRP A 51 -7.383 -3.957 1.682 1.00 0.92 O ATOM 604 CB TRP A 51 -5.679 -1.447 0.313 1.00 1.19 C ATOM 605 CG TRP A 51 -5.829 0.048 0.261 1.00 1.21 C ATOM 606 CD1 TRP A 51 -4.839 0.958 0.087 1.00 1.36 C ATOM 607 CD2 TRP A 51 -7.048 0.832 0.479 1.00 1.10 C ATOM 608 NE1 TRP A 51 -5.380 2.229 0.062 1.00 1.39 N ATOM 609 CE2 TRP A 51 -6.721 2.213 0.358 1.00 1.24 C ATOM 610 CE3 TRP A 51 -8.386 0.524 0.816 1.00 0.93 C ATOM 611 CZ2 TRP A 51 -7.658 3.234 0.550 1.00 1.26 C ATOM 612 CZ3 TRP A 51 -9.334 1.545 1.042 1.00 0.95 C ATOM 613 CH2 TRP A 51 -8.970 2.897 0.917 1.00 1.13 C ATOM 0 H TRP A 51 -4.041 -1.294 2.115 1.00 1.12 H new ATOM 0 HA TRP A 51 -6.899 -1.621 2.052 1.00 1.06 H new ATOM 0 HB2 TRP A 51 -4.668 -1.715 0.007 1.00 1.19 H new ATOM 0 HB3 TRP A 51 -6.360 -1.899 -0.408 1.00 1.19 H new ATOM 0 HD1 TRP A 51 -3.789 0.725 -0.016 1.00 1.36 H new ATOM 0 HE1 TRP A 51 -4.850 3.074 -0.150 1.00 1.39 H new ATOM 0 HE3 TRP A 51 -8.688 -0.509 0.902 1.00 0.93 H new ATOM 0 HZ2 TRP A 51 -7.375 4.268 0.418 1.00 1.26 H new ATOM 0 HZ3 TRP A 51 -10.347 1.286 1.313 1.00 0.95 H new ATOM 0 HH2 TRP A 51 -9.697 3.674 1.103 1.00 1.13 H new ATOM 624 N ASN A 52 -5.202 -4.394 1.915 1.00 1.19 N ATOM 625 CA ASN A 52 -5.387 -5.818 2.187 1.00 1.23 C ATOM 626 C ASN A 52 -6.124 -6.079 3.515 1.00 1.08 C ATOM 627 O ASN A 52 -6.954 -6.981 3.582 1.00 1.10 O ATOM 628 CB ASN A 52 -4.006 -6.489 2.182 1.00 1.43 C ATOM 629 CG ASN A 52 -3.486 -6.853 0.801 1.00 1.74 C ATOM 630 OD1 ASN A 52 -4.136 -6.703 -0.226 1.00 2.23 O ATOM 631 ND2 ASN A 52 -2.294 -7.391 0.746 1.00 1.71 N ATOM 0 H ASN A 52 -4.224 -4.104 1.892 1.00 1.19 H new ATOM 0 HA ASN A 52 -6.021 -6.244 1.409 1.00 1.23 H new ATOM 0 HB2 ASN A 52 -3.290 -5.821 2.661 1.00 1.43 H new ATOM 0 HB3 ASN A 52 -4.054 -7.394 2.788 1.00 1.43 H new ATOM 0 HD21 ASN A 52 -1.908 -7.685 -0.151 1.00 1.71 H new ATOM 0 HD22 ASN A 52 -1.751 -7.517 1.600 1.00 1.71 H new ATOM 638 N SER A 53 -5.889 -5.279 4.560 1.00 0.94 N ATOM 639 CA SER A 53 -6.624 -5.398 5.829 1.00 0.80 C ATOM 640 C SER A 53 -8.096 -4.986 5.666 1.00 0.61 C ATOM 641 O SER A 53 -8.981 -5.668 6.178 1.00 0.62 O ATOM 642 CB SER A 53 -5.942 -4.608 6.954 1.00 0.72 C ATOM 643 OG SER A 53 -4.574 -4.979 7.074 1.00 1.62 O ATOM 0 H SER A 53 -5.190 -4.536 4.554 1.00 0.94 H new ATOM 0 HA SER A 53 -6.607 -6.450 6.116 1.00 0.80 H new ATOM 0 HB2 SER A 53 -6.017 -3.540 6.752 1.00 0.72 H new ATOM 0 HB3 SER A 53 -6.457 -4.791 7.897 1.00 0.72 H new ATOM 0 HG SER A 53 -4.027 -4.401 6.503 1.00 1.62 H new ATOM 649 N ILE A 54 -8.392 -3.955 4.861 1.00 0.52 N ATOM 650 CA ILE A 54 -9.775 -3.610 4.480 1.00 0.42 C ATOM 651 C ILE A 54 -10.453 -4.789 3.761 1.00 0.45 C ATOM 652 O ILE A 54 -11.572 -5.178 4.117 1.00 0.46 O ATOM 653 CB ILE A 54 -9.766 -2.316 3.630 1.00 0.47 C ATOM 654 CG1 ILE A 54 -9.283 -1.091 4.444 1.00 0.55 C ATOM 655 CG2 ILE A 54 -11.113 -2.013 2.952 1.00 0.51 C ATOM 656 CD1 ILE A 54 -10.153 -0.702 5.650 1.00 0.59 C ATOM 0 H ILE A 54 -7.687 -3.339 4.457 1.00 0.52 H new ATOM 0 HA ILE A 54 -10.368 -3.416 5.374 1.00 0.42 H new ATOM 0 HB ILE A 54 -9.049 -2.508 2.832 1.00 0.47 H new ATOM 0 HG12 ILE A 54 -8.272 -1.291 4.799 1.00 0.55 H new ATOM 0 HG13 ILE A 54 -9.222 -0.234 3.773 1.00 0.55 H new ATOM 0 HG21 ILE A 54 -11.031 -1.092 2.374 1.00 0.51 H new ATOM 0 HG22 ILE A 54 -11.379 -2.835 2.288 1.00 0.51 H new ATOM 0 HG23 ILE A 54 -11.885 -1.896 3.713 1.00 0.51 H new ATOM 0 HD11 ILE A 54 -9.721 0.168 6.145 1.00 0.59 H new ATOM 0 HD12 ILE A 54 -11.160 -0.462 5.310 1.00 0.59 H new ATOM 0 HD13 ILE A 54 -10.196 -1.535 6.352 1.00 0.59 H new ATOM 668 N VAL A 55 -9.748 -5.418 2.814 1.00 0.60 N ATOM 669 CA VAL A 55 -10.208 -6.624 2.105 1.00 0.73 C ATOM 670 C VAL A 55 -10.502 -7.775 3.073 1.00 0.84 C ATOM 671 O VAL A 55 -11.579 -8.355 2.974 1.00 0.92 O ATOM 672 CB VAL A 55 -9.197 -7.007 1.006 1.00 0.98 C ATOM 673 CG1 VAL A 55 -9.378 -8.416 0.432 1.00 1.17 C ATOM 674 CG2 VAL A 55 -9.308 -6.000 -0.142 1.00 1.01 C ATOM 0 H VAL A 55 -8.827 -5.101 2.512 1.00 0.60 H new ATOM 0 HA VAL A 55 -11.157 -6.403 1.616 1.00 0.73 H new ATOM 0 HB VAL A 55 -8.217 -6.991 1.483 1.00 0.98 H new ATOM 0 HG11 VAL A 55 -8.623 -8.597 -0.333 1.00 1.17 H new ATOM 0 HG12 VAL A 55 -9.269 -9.151 1.230 1.00 1.17 H new ATOM 0 HG13 VAL A 55 -10.371 -8.504 -0.009 1.00 1.17 H new ATOM 0 HG21 VAL A 55 -8.597 -6.262 -0.925 1.00 1.01 H new ATOM 0 HG22 VAL A 55 -10.319 -6.021 -0.548 1.00 1.01 H new ATOM 0 HG23 VAL A 55 -9.087 -4.999 0.229 1.00 1.01 H new ATOM 684 N MET A 56 -9.642 -8.055 4.060 1.00 0.93 N ATOM 685 CA MET A 56 -9.913 -9.051 5.119 1.00 1.08 C ATOM 686 C MET A 56 -11.207 -8.733 5.891 1.00 1.08 C ATOM 687 O MET A 56 -12.079 -9.592 6.045 1.00 1.33 O ATOM 688 CB MET A 56 -8.742 -9.114 6.119 1.00 1.09 C ATOM 689 CG MET A 56 -7.422 -9.628 5.535 1.00 1.46 C ATOM 690 SD MET A 56 -7.303 -11.423 5.313 1.00 2.07 S ATOM 691 CE MET A 56 -7.045 -11.943 7.032 1.00 2.28 C ATOM 0 H MET A 56 -8.734 -7.599 4.152 1.00 0.93 H new ATOM 0 HA MET A 56 -10.031 -10.013 4.621 1.00 1.08 H new ATOM 0 HB2 MET A 56 -8.578 -8.117 6.527 1.00 1.09 H new ATOM 0 HB3 MET A 56 -9.029 -9.756 6.952 1.00 1.09 H new ATOM 0 HG2 MET A 56 -7.264 -9.150 4.568 1.00 1.46 H new ATOM 0 HG3 MET A 56 -6.609 -9.307 6.186 1.00 1.46 H new ATOM 0 HE1 MET A 56 -6.257 -12.695 7.070 1.00 2.28 H new ATOM 0 HE2 MET A 56 -6.754 -11.081 7.633 1.00 2.28 H new ATOM 0 HE3 MET A 56 -7.969 -12.365 7.427 1.00 2.28 H new ATOM 701 N GLN A 57 -11.380 -7.472 6.304 1.00 0.87 N ATOM 702 CA GLN A 57 -12.544 -7.024 7.078 1.00 0.97 C ATOM 703 C GLN A 57 -13.851 -7.076 6.274 1.00 1.07 C ATOM 704 O GLN A 57 -14.919 -7.247 6.861 1.00 1.37 O ATOM 705 CB GLN A 57 -12.302 -5.617 7.655 1.00 0.86 C ATOM 706 CG GLN A 57 -11.203 -5.561 8.730 1.00 0.91 C ATOM 707 CD GLN A 57 -11.463 -6.477 9.924 1.00 1.01 C ATOM 708 OE1 GLN A 57 -12.586 -6.778 10.298 1.00 1.80 O ATOM 709 NE2 GLN A 57 -10.430 -6.996 10.545 1.00 1.04 N ATOM 0 H GLN A 57 -10.711 -6.728 6.109 1.00 0.87 H new ATOM 0 HA GLN A 57 -12.665 -7.725 7.903 1.00 0.97 H new ATOM 0 HB2 GLN A 57 -12.034 -4.943 6.841 1.00 0.86 H new ATOM 0 HB3 GLN A 57 -13.233 -5.246 8.083 1.00 0.86 H new ATOM 0 HG2 GLN A 57 -10.250 -5.832 8.276 1.00 0.91 H new ATOM 0 HG3 GLN A 57 -11.107 -4.535 9.085 1.00 0.91 H new ATOM 0 HE21 GLN A 57 -9.484 -6.757 10.248 1.00 1.04 H new ATOM 0 HE22 GLN A 57 -10.573 -7.638 11.325 1.00 1.04 H new ATOM 718 N ARG A 58 -13.794 -7.016 4.937 1.00 0.92 N ATOM 719 CA ARG A 58 -14.946 -7.322 4.062 1.00 1.05 C ATOM 720 C ARG A 58 -15.107 -8.807 3.707 1.00 1.24 C ATOM 721 O ARG A 58 -16.220 -9.275 3.459 1.00 1.48 O ATOM 722 CB ARG A 58 -14.825 -6.446 2.802 1.00 0.88 C ATOM 723 CG ARG A 58 -15.483 -5.076 3.000 1.00 1.12 C ATOM 724 CD ARG A 58 -14.895 -4.017 2.047 1.00 1.09 C ATOM 725 NE ARG A 58 -15.727 -2.798 1.932 1.00 1.15 N ATOM 726 CZ ARG A 58 -15.931 -1.841 2.819 1.00 1.57 C ATOM 727 NH1 ARG A 58 -15.411 -1.824 4.007 1.00 2.56 N ATOM 728 NH2 ARG A 58 -16.679 -0.836 2.486 1.00 1.72 N ATOM 0 H ARG A 58 -12.951 -6.755 4.426 1.00 0.92 H new ATOM 0 HA ARG A 58 -15.856 -7.091 4.616 1.00 1.05 H new ATOM 0 HB2 ARG A 58 -13.773 -6.312 2.552 1.00 0.88 H new ATOM 0 HB3 ARG A 58 -15.291 -6.955 1.958 1.00 0.88 H new ATOM 0 HG2 ARG A 58 -16.557 -5.160 2.832 1.00 1.12 H new ATOM 0 HG3 ARG A 58 -15.346 -4.753 4.032 1.00 1.12 H new ATOM 0 HD2 ARG A 58 -13.901 -3.737 2.397 1.00 1.09 H new ATOM 0 HD3 ARG A 58 -14.772 -4.458 1.058 1.00 1.09 H new ATOM 0 HE ARG A 58 -16.211 -2.681 1.042 1.00 1.15 H new ATOM 0 HH11 ARG A 58 -14.800 -2.584 4.307 1.00 2.56 H new ATOM 0 HH12 ARG A 58 -15.613 -1.051 4.641 1.00 2.56 H new ATOM 0 HH21 ARG A 58 -17.096 -0.796 1.556 1.00 1.72 H new ATOM 0 HH22 ARG A 58 -16.851 -0.085 3.154 1.00 1.72 H new ATOM 742 N ARG A 59 -14.012 -9.566 3.697 1.00 1.24 N ATOM 743 CA ARG A 59 -13.980 -10.988 3.294 1.00 1.53 C ATOM 744 C ARG A 59 -14.515 -11.949 4.359 1.00 1.89 C ATOM 745 O ARG A 59 -15.104 -12.971 4.003 1.00 2.04 O ATOM 746 CB ARG A 59 -12.580 -11.344 2.762 1.00 1.59 C ATOM 747 CG ARG A 59 -12.484 -12.776 2.211 1.00 1.92 C ATOM 748 CD ARG A 59 -11.282 -12.923 1.269 1.00 2.11 C ATOM 749 NE ARG A 59 -11.130 -14.305 0.772 1.00 2.60 N ATOM 750 CZ ARG A 59 -10.249 -14.724 -0.118 1.00 3.06 C ATOM 751 NH1 ARG A 59 -9.453 -13.920 -0.759 1.00 3.15 N ATOM 752 NH2 ARG A 59 -10.150 -15.990 -0.402 1.00 3.64 N ATOM 0 H ARG A 59 -13.097 -9.210 3.974 1.00 1.24 H new ATOM 0 HA ARG A 59 -14.687 -11.123 2.476 1.00 1.53 H new ATOM 0 HB2 ARG A 59 -12.308 -10.640 1.975 1.00 1.59 H new ATOM 0 HB3 ARG A 59 -11.852 -11.221 3.564 1.00 1.59 H new ATOM 0 HG2 ARG A 59 -12.392 -13.482 3.037 1.00 1.92 H new ATOM 0 HG3 ARG A 59 -13.401 -13.027 1.678 1.00 1.92 H new ATOM 0 HD2 ARG A 59 -11.400 -12.245 0.423 1.00 2.11 H new ATOM 0 HD3 ARG A 59 -10.374 -12.625 1.792 1.00 2.11 H new ATOM 0 HE ARG A 59 -11.767 -15.004 1.153 1.00 2.60 H new ATOM 0 HH11 ARG A 59 -9.492 -12.916 -0.583 1.00 3.15 H new ATOM 0 HH12 ARG A 59 -8.789 -14.293 -1.438 1.00 3.15 H new ATOM 0 HH21 ARG A 59 -10.755 -16.666 0.064 1.00 3.64 H new ATOM 0 HH22 ARG A 59 -9.467 -16.306 -1.091 1.00 3.64 H new ATOM 766 N LYS A 60 -14.447 -11.593 5.645 1.00 2.07 N ATOM 767 CA LYS A 60 -15.026 -12.377 6.762 1.00 2.51 C ATOM 768 C LYS A 60 -16.541 -12.645 6.680 1.00 2.52 C ATOM 769 O LYS A 60 -17.013 -13.594 7.306 1.00 2.76 O ATOM 770 CB LYS A 60 -14.655 -11.709 8.092 1.00 2.80 C ATOM 771 CG LYS A 60 -15.329 -10.343 8.275 1.00 2.74 C ATOM 772 CD LYS A 60 -14.828 -9.666 9.547 1.00 3.05 C ATOM 773 CE LYS A 60 -15.542 -8.335 9.790 1.00 2.99 C ATOM 774 NZ LYS A 60 -15.061 -7.728 11.053 1.00 3.47 N ATOM 0 H LYS A 60 -13.982 -10.739 5.954 1.00 2.07 H new ATOM 0 HA LYS A 60 -14.585 -13.371 6.686 1.00 2.51 H new ATOM 0 HB2 LYS A 60 -14.940 -12.364 8.915 1.00 2.80 H new ATOM 0 HB3 LYS A 60 -13.573 -11.586 8.143 1.00 2.80 H new ATOM 0 HG2 LYS A 60 -15.121 -9.710 7.413 1.00 2.74 H new ATOM 0 HG3 LYS A 60 -16.411 -10.468 8.325 1.00 2.74 H new ATOM 0 HD2 LYS A 60 -14.987 -10.327 10.399 1.00 3.05 H new ATOM 0 HD3 LYS A 60 -13.754 -9.496 9.472 1.00 3.05 H new ATOM 0 HE2 LYS A 60 -15.358 -7.656 8.957 1.00 2.99 H new ATOM 0 HE3 LYS A 60 -16.619 -8.494 9.840 1.00 2.99 H new ATOM 0 HZ1 LYS A 60 -15.798 -7.107 11.442 1.00 3.47 H new ATOM 0 HZ2 LYS A 60 -14.844 -8.479 11.739 1.00 3.47 H new ATOM 0 HZ3 LYS A 60 -14.203 -7.171 10.866 1.00 3.47 H new ATOM 788 N ASN A 61 -17.303 -11.853 5.912 1.00 2.29 N ATOM 789 CA ASN A 61 -18.709 -12.141 5.576 1.00 2.43 C ATOM 790 C ASN A 61 -18.964 -12.620 4.122 1.00 2.07 C ATOM 791 O ASN A 61 -20.121 -12.821 3.754 1.00 1.97 O ATOM 792 CB ASN A 61 -19.582 -10.936 5.968 1.00 2.55 C ATOM 793 CG ASN A 61 -19.811 -10.864 7.466 1.00 3.27 C ATOM 794 OD1 ASN A 61 -20.563 -11.642 8.041 1.00 3.88 O ATOM 795 ND2 ASN A 61 -19.163 -9.949 8.141 1.00 3.32 N ATOM 0 H ASN A 61 -16.959 -10.985 5.501 1.00 2.29 H new ATOM 0 HA ASN A 61 -18.998 -13.011 6.166 1.00 2.43 H new ATOM 0 HB2 ASN A 61 -19.104 -10.017 5.630 1.00 2.55 H new ATOM 0 HB3 ASN A 61 -20.543 -11.003 5.457 1.00 2.55 H new ATOM 0 HD21 ASN A 61 -19.282 -9.881 9.152 1.00 3.32 H new ATOM 0 HD22 ASN A 61 -18.538 -9.304 7.656 1.00 3.32 H new ATOM 802 N GLY A 62 -17.934 -12.797 3.282 1.00 1.94 N ATOM 803 CA GLY A 62 -18.035 -13.461 1.961 1.00 1.79 C ATOM 804 C GLY A 62 -18.920 -12.762 0.910 1.00 1.53 C ATOM 805 O GLY A 62 -19.336 -13.373 -0.077 1.00 1.62 O ATOM 0 H GLY A 62 -16.989 -12.480 3.499 1.00 1.94 H new ATOM 0 HA2 GLY A 62 -17.030 -13.560 1.550 1.00 1.79 H new ATOM 0 HA3 GLY A 62 -18.418 -14.470 2.114 1.00 1.79 H new ATOM 809 N VAL A 63 -19.265 -11.495 1.142 1.00 1.44 N ATOM 810 CA VAL A 63 -20.531 -10.892 0.680 1.00 1.48 C ATOM 811 C VAL A 63 -20.465 -10.153 -0.666 1.00 1.36 C ATOM 812 O VAL A 63 -21.448 -10.164 -1.413 1.00 1.56 O ATOM 813 CB VAL A 63 -21.095 -10.008 1.818 1.00 1.99 C ATOM 814 CG1 VAL A 63 -20.118 -8.942 2.334 1.00 2.32 C ATOM 815 CG2 VAL A 63 -22.405 -9.314 1.447 1.00 2.37 C ATOM 0 H VAL A 63 -18.673 -10.846 1.660 1.00 1.44 H new ATOM 0 HA VAL A 63 -21.214 -11.712 0.460 1.00 1.48 H new ATOM 0 HB VAL A 63 -21.274 -10.727 2.618 1.00 1.99 H new ATOM 0 HG11 VAL A 63 -20.593 -8.368 3.129 1.00 2.32 H new ATOM 0 HG12 VAL A 63 -19.222 -9.427 2.722 1.00 2.32 H new ATOM 0 HG13 VAL A 63 -19.844 -8.274 1.518 1.00 2.32 H new ATOM 0 HG21 VAL A 63 -22.747 -8.710 2.287 1.00 2.37 H new ATOM 0 HG22 VAL A 63 -22.244 -8.672 0.581 1.00 2.37 H new ATOM 0 HG23 VAL A 63 -23.159 -10.064 1.208 1.00 2.37 H new ATOM 825 N LYS A 64 -19.343 -9.502 -0.987 1.00 1.51 N ATOM 826 CA LYS A 64 -19.222 -8.480 -2.045 1.00 1.47 C ATOM 827 C LYS A 64 -17.916 -8.610 -2.848 1.00 1.43 C ATOM 828 O LYS A 64 -17.047 -9.380 -2.428 1.00 1.43 O ATOM 829 CB LYS A 64 -19.353 -7.109 -1.344 1.00 1.46 C ATOM 830 CG LYS A 64 -18.166 -6.700 -0.442 1.00 1.50 C ATOM 831 CD LYS A 64 -18.027 -5.174 -0.366 1.00 1.59 C ATOM 832 CE LYS A 64 -19.264 -4.479 0.227 1.00 1.55 C ATOM 833 NZ LYS A 64 -19.343 -3.070 -0.214 1.00 2.50 N ATOM 0 H LYS A 64 -18.461 -9.674 -0.504 1.00 1.51 H new ATOM 0 HA LYS A 64 -20.007 -8.607 -2.791 1.00 1.47 H new ATOM 0 HB2 LYS A 64 -19.486 -6.343 -2.108 1.00 1.46 H new ATOM 0 HB3 LYS A 64 -20.259 -7.116 -0.739 1.00 1.46 H new ATOM 0 HG2 LYS A 64 -18.311 -7.105 0.560 1.00 1.50 H new ATOM 0 HG3 LYS A 64 -17.244 -7.133 -0.831 1.00 1.50 H new ATOM 0 HD2 LYS A 64 -17.155 -4.925 0.238 1.00 1.59 H new ATOM 0 HD3 LYS A 64 -17.844 -4.783 -1.367 1.00 1.59 H new ATOM 0 HE2 LYS A 64 -20.165 -5.010 -0.078 1.00 1.55 H new ATOM 0 HE3 LYS A 64 -19.222 -4.521 1.315 1.00 1.55 H new ATOM 0 HZ1 LYS A 64 -20.058 -2.569 0.351 1.00 2.50 H new ATOM 0 HZ2 LYS A 64 -18.418 -2.613 -0.084 1.00 2.50 H new ATOM 0 HZ3 LYS A 64 -19.609 -3.035 -1.219 1.00 2.50 H new ATOM 847 N PRO A 65 -17.700 -7.831 -3.930 1.00 1.45 N ATOM 848 CA PRO A 65 -16.342 -7.542 -4.390 1.00 1.41 C ATOM 849 C PRO A 65 -15.580 -6.815 -3.269 1.00 1.28 C ATOM 850 O PRO A 65 -15.974 -5.733 -2.837 1.00 1.30 O ATOM 851 CB PRO A 65 -16.518 -6.681 -5.644 1.00 1.54 C ATOM 852 CG PRO A 65 -17.837 -5.952 -5.394 1.00 1.58 C ATOM 853 CD PRO A 65 -18.658 -7.038 -4.698 1.00 1.56 C ATOM 0 HA PRO A 65 -15.760 -8.432 -4.628 1.00 1.41 H new ATOM 0 HB2 PRO A 65 -15.691 -5.982 -5.770 1.00 1.54 H new ATOM 0 HB3 PRO A 65 -16.561 -7.291 -6.547 1.00 1.54 H new ATOM 0 HG2 PRO A 65 -17.706 -5.071 -4.766 1.00 1.58 H new ATOM 0 HG3 PRO A 65 -18.302 -5.617 -6.321 1.00 1.58 H new ATOM 0 HD2 PRO A 65 -19.414 -6.599 -4.046 1.00 1.56 H new ATOM 0 HD3 PRO A 65 -19.184 -7.657 -5.425 1.00 1.56 H new ATOM 861 N PHE A 66 -14.534 -7.449 -2.739 1.00 1.20 N ATOM 862 CA PHE A 66 -13.860 -7.019 -1.511 1.00 1.04 C ATOM 863 C PHE A 66 -12.968 -5.794 -1.706 1.00 0.98 C ATOM 864 O PHE A 66 -12.959 -4.904 -0.856 1.00 0.92 O ATOM 865 CB PHE A 66 -13.018 -8.177 -0.973 1.00 1.09 C ATOM 866 CG PHE A 66 -13.768 -9.471 -0.726 1.00 1.17 C ATOM 867 CD1 PHE A 66 -14.966 -9.476 0.014 1.00 1.60 C ATOM 868 CD2 PHE A 66 -13.276 -10.676 -1.261 1.00 2.45 C ATOM 869 CE1 PHE A 66 -15.671 -10.674 0.213 1.00 1.58 C ATOM 870 CE2 PHE A 66 -13.970 -11.879 -1.045 1.00 2.59 C ATOM 871 CZ PHE A 66 -15.166 -11.879 -0.308 1.00 1.42 C ATOM 0 H PHE A 66 -14.125 -8.286 -3.154 1.00 1.20 H new ATOM 0 HA PHE A 66 -14.638 -6.732 -0.803 1.00 1.04 H new ATOM 0 HB2 PHE A 66 -12.211 -8.374 -1.678 1.00 1.09 H new ATOM 0 HB3 PHE A 66 -12.554 -7.862 -0.038 1.00 1.09 H new ATOM 0 HD1 PHE A 66 -15.344 -8.554 0.430 1.00 1.60 H new ATOM 0 HD2 PHE A 66 -12.363 -10.676 -1.839 1.00 2.45 H new ATOM 0 HE1 PHE A 66 -16.599 -10.670 0.765 1.00 1.58 H new ATOM 0 HE2 PHE A 66 -13.583 -12.804 -1.446 1.00 2.59 H new ATOM 0 HZ PHE A 66 -15.698 -12.804 -0.141 1.00 1.42 H new ATOM 881 N MET A 67 -12.228 -5.757 -2.817 1.00 1.08 N ATOM 882 CA MET A 67 -11.469 -4.579 -3.240 1.00 1.08 C ATOM 883 C MET A 67 -12.393 -3.354 -3.396 1.00 1.02 C ATOM 884 O MET A 67 -13.271 -3.363 -4.266 1.00 1.12 O ATOM 885 CB MET A 67 -10.704 -4.864 -4.547 1.00 1.33 C ATOM 886 CG MET A 67 -9.287 -5.358 -4.251 1.00 1.54 C ATOM 887 SD MET A 67 -8.276 -4.116 -3.395 1.00 1.67 S ATOM 888 CE MET A 67 -6.792 -5.092 -3.077 1.00 1.90 C ATOM 0 H MET A 67 -12.139 -6.550 -3.452 1.00 1.08 H new ATOM 0 HA MET A 67 -10.739 -4.349 -2.464 1.00 1.08 H new ATOM 0 HB2 MET A 67 -11.240 -5.612 -5.131 1.00 1.33 H new ATOM 0 HB3 MET A 67 -10.659 -3.959 -5.152 1.00 1.33 H new ATOM 0 HG2 MET A 67 -9.341 -6.260 -3.641 1.00 1.54 H new ATOM 0 HG3 MET A 67 -8.800 -5.635 -5.186 1.00 1.54 H new ATOM 0 HE1 MET A 67 -6.175 -4.585 -2.335 1.00 1.90 H new ATOM 0 HE2 MET A 67 -7.077 -6.075 -2.702 1.00 1.90 H new ATOM 0 HE3 MET A 67 -6.227 -5.207 -4.002 1.00 1.90 H new ATOM 898 N PRO A 68 -12.222 -2.301 -2.570 1.00 0.90 N ATOM 899 CA PRO A 68 -13.231 -1.262 -2.384 1.00 0.86 C ATOM 900 C PRO A 68 -13.452 -0.396 -3.627 1.00 1.12 C ATOM 901 O PRO A 68 -12.507 0.073 -4.275 1.00 1.41 O ATOM 902 CB PRO A 68 -12.774 -0.438 -1.173 1.00 0.75 C ATOM 903 CG PRO A 68 -11.273 -0.693 -1.099 1.00 0.76 C ATOM 904 CD PRO A 68 -11.144 -2.122 -1.609 1.00 0.83 C ATOM 0 HA PRO A 68 -14.207 -1.714 -2.211 1.00 0.86 H new ATOM 0 HB2 PRO A 68 -12.993 0.622 -1.306 1.00 0.75 H new ATOM 0 HB3 PRO A 68 -13.278 -0.756 -0.261 1.00 0.75 H new ATOM 0 HG2 PRO A 68 -10.713 0.009 -1.718 1.00 0.76 H new ATOM 0 HG3 PRO A 68 -10.896 -0.592 -0.081 1.00 0.76 H new ATOM 0 HD2 PRO A 68 -10.173 -2.284 -2.077 1.00 0.83 H new ATOM 0 HD3 PRO A 68 -11.227 -2.838 -0.791 1.00 0.83 H new ATOM 912 N THR A 69 -14.726 -0.124 -3.907 1.00 1.16 N ATOM 913 CA THR A 69 -15.176 0.825 -4.925 1.00 1.48 C ATOM 914 C THR A 69 -14.909 2.265 -4.492 1.00 1.66 C ATOM 915 O THR A 69 -14.611 2.536 -3.330 1.00 1.56 O ATOM 916 CB THR A 69 -16.655 0.605 -5.287 1.00 1.57 C ATOM 917 OG1 THR A 69 -17.472 0.819 -4.162 1.00 1.60 O ATOM 918 CG2 THR A 69 -16.946 -0.804 -5.813 1.00 1.44 C ATOM 0 H THR A 69 -15.499 -0.573 -3.415 1.00 1.16 H new ATOM 0 HA THR A 69 -14.595 0.642 -5.829 1.00 1.48 H new ATOM 0 HB THR A 69 -16.873 1.321 -6.080 1.00 1.57 H new ATOM 0 HG1 THR A 69 -17.312 0.112 -3.502 1.00 1.60 H new ATOM 0 HG21 THR A 69 -18.006 -0.892 -6.049 1.00 1.44 H new ATOM 0 HG22 THR A 69 -16.357 -0.985 -6.712 1.00 1.44 H new ATOM 0 HG23 THR A 69 -16.682 -1.538 -5.052 1.00 1.44 H new ATOM 926 N ALA A 70 -14.967 3.201 -5.434 1.00 1.93 N ATOM 927 CA ALA A 70 -14.466 4.567 -5.256 1.00 2.11 C ATOM 928 C ALA A 70 -15.098 5.314 -4.060 1.00 2.14 C ATOM 929 O ALA A 70 -14.392 6.041 -3.359 1.00 2.17 O ATOM 930 CB ALA A 70 -14.658 5.327 -6.574 1.00 2.37 C ATOM 0 H ALA A 70 -15.368 3.034 -6.357 1.00 1.93 H new ATOM 0 HA ALA A 70 -13.407 4.510 -5.006 1.00 2.11 H new ATOM 0 HB1 ALA A 70 -14.291 6.347 -6.462 1.00 2.37 H new ATOM 0 HB2 ALA A 70 -14.103 4.826 -7.367 1.00 2.37 H new ATOM 0 HB3 ALA A 70 -15.717 5.348 -6.831 1.00 2.37 H new ATOM 936 N ALA A 71 -16.386 5.088 -3.778 1.00 2.17 N ATOM 937 CA ALA A 71 -17.080 5.651 -2.616 1.00 2.28 C ATOM 938 C ALA A 71 -16.648 5.015 -1.274 1.00 2.00 C ATOM 939 O ALA A 71 -16.534 5.712 -0.261 1.00 2.01 O ATOM 940 CB ALA A 71 -18.587 5.493 -2.853 1.00 2.48 C ATOM 0 H ALA A 71 -16.983 4.500 -4.359 1.00 2.17 H new ATOM 0 HA ALA A 71 -16.811 6.703 -2.523 1.00 2.28 H new ATOM 0 HB1 ALA A 71 -19.134 5.903 -2.004 1.00 2.48 H new ATOM 0 HB2 ALA A 71 -18.871 6.027 -3.760 1.00 2.48 H new ATOM 0 HB3 ALA A 71 -18.829 4.436 -2.964 1.00 2.48 H new ATOM 946 N GLU A 72 -16.364 3.710 -1.255 1.00 1.78 N ATOM 947 CA GLU A 72 -15.825 2.995 -0.103 1.00 1.53 C ATOM 948 C GLU A 72 -14.408 3.497 0.158 1.00 1.39 C ATOM 949 O GLU A 72 -14.120 3.989 1.247 1.00 1.35 O ATOM 950 CB GLU A 72 -15.823 1.478 -0.363 1.00 1.30 C ATOM 951 CG GLU A 72 -17.210 0.902 -0.659 1.00 1.45 C ATOM 952 CD GLU A 72 -17.106 -0.575 -1.041 1.00 1.63 C ATOM 953 OE1 GLU A 72 -17.163 -1.440 -0.136 1.00 2.46 O ATOM 954 OE2 GLU A 72 -16.981 -0.876 -2.254 1.00 2.06 O ATOM 0 H GLU A 72 -16.508 3.108 -2.065 1.00 1.78 H new ATOM 0 HA GLU A 72 -16.448 3.180 0.772 1.00 1.53 H new ATOM 0 HB2 GLU A 72 -15.163 1.263 -1.204 1.00 1.30 H new ATOM 0 HB3 GLU A 72 -15.406 0.970 0.507 1.00 1.30 H new ATOM 0 HG2 GLU A 72 -17.851 1.013 0.216 1.00 1.45 H new ATOM 0 HG3 GLU A 72 -17.677 1.461 -1.470 1.00 1.45 H new ATOM 961 N ARG A 73 -13.548 3.463 -0.871 1.00 1.38 N ATOM 962 CA ARG A 73 -12.174 3.983 -0.825 1.00 1.35 C ATOM 963 C ARG A 73 -12.135 5.416 -0.288 1.00 1.50 C ATOM 964 O ARG A 73 -11.310 5.728 0.568 1.00 1.41 O ATOM 965 CB ARG A 73 -11.570 3.885 -2.238 1.00 1.52 C ATOM 966 CG ARG A 73 -10.053 4.119 -2.251 1.00 2.13 C ATOM 967 CD ARG A 73 -9.530 4.206 -3.688 1.00 2.45 C ATOM 968 NE ARG A 73 -8.068 4.384 -3.707 1.00 2.66 N ATOM 969 CZ ARG A 73 -7.158 3.444 -3.882 1.00 2.59 C ATOM 970 NH1 ARG A 73 -7.438 2.188 -4.058 1.00 2.85 N ATOM 971 NH2 ARG A 73 -5.899 3.758 -3.878 1.00 3.44 N ATOM 0 H ARG A 73 -13.794 3.065 -1.777 1.00 1.38 H new ATOM 0 HA ARG A 73 -11.578 3.385 -0.136 1.00 1.35 H new ATOM 0 HB2 ARG A 73 -11.785 2.900 -2.653 1.00 1.52 H new ATOM 0 HB3 ARG A 73 -12.052 4.617 -2.886 1.00 1.52 H new ATOM 0 HG2 ARG A 73 -9.818 5.040 -1.717 1.00 2.13 H new ATOM 0 HG3 ARG A 73 -9.550 3.308 -1.724 1.00 2.13 H new ATOM 0 HD2 ARG A 73 -9.797 3.300 -4.232 1.00 2.45 H new ATOM 0 HD3 ARG A 73 -10.008 5.039 -4.203 1.00 2.45 H new ATOM 0 HE ARG A 73 -7.722 5.334 -3.571 1.00 2.66 H new ATOM 0 HH11 ARG A 73 -8.410 1.878 -4.066 1.00 2.85 H new ATOM 0 HH12 ARG A 73 -6.686 1.511 -4.188 1.00 2.85 H new ATOM 0 HH21 ARG A 73 -5.616 4.728 -3.740 1.00 3.44 H new ATOM 0 HH22 ARG A 73 -5.193 3.035 -4.013 1.00 3.44 H new ATOM 985 N ASP A 74 -13.064 6.257 -0.743 1.00 1.74 N ATOM 986 CA ASP A 74 -13.222 7.629 -0.272 1.00 1.92 C ATOM 987 C ASP A 74 -13.553 7.722 1.224 1.00 1.82 C ATOM 988 O ASP A 74 -12.812 8.385 1.957 1.00 1.77 O ATOM 989 CB ASP A 74 -14.307 8.334 -1.096 1.00 2.25 C ATOM 990 CG ASP A 74 -14.486 9.779 -0.637 1.00 2.47 C ATOM 991 OD1 ASP A 74 -13.512 10.559 -0.766 1.00 2.09 O ATOM 992 OD2 ASP A 74 -15.572 10.140 -0.136 1.00 3.58 O ATOM 0 H ASP A 74 -13.739 5.997 -1.462 1.00 1.74 H new ATOM 0 HA ASP A 74 -12.261 8.125 -0.407 1.00 1.92 H new ATOM 0 HB2 ASP A 74 -14.038 8.314 -2.152 1.00 2.25 H new ATOM 0 HB3 ASP A 74 -15.251 7.797 -0.997 1.00 2.25 H new ATOM 997 N GLU A 75 -14.630 7.072 1.691 1.00 1.82 N ATOM 998 CA GLU A 75 -15.019 7.157 3.106 1.00 1.80 C ATOM 999 C GLU A 75 -13.977 6.517 4.039 1.00 1.52 C ATOM 1000 O GLU A 75 -13.753 6.996 5.152 1.00 1.44 O ATOM 1001 CB GLU A 75 -16.440 6.613 3.345 1.00 1.95 C ATOM 1002 CG GLU A 75 -16.627 5.095 3.200 1.00 1.79 C ATOM 1003 CD GLU A 75 -18.044 4.659 3.598 1.00 1.97 C ATOM 1004 OE1 GLU A 75 -18.997 4.870 2.811 1.00 2.10 O ATOM 1005 OE2 GLU A 75 -18.207 4.034 4.680 1.00 2.96 O ATOM 0 H GLU A 75 -15.240 6.489 1.118 1.00 1.82 H new ATOM 0 HA GLU A 75 -15.044 8.216 3.363 1.00 1.80 H new ATOM 0 HB2 GLU A 75 -16.751 6.900 4.349 1.00 1.95 H new ATOM 0 HB3 GLU A 75 -17.116 7.108 2.648 1.00 1.95 H new ATOM 0 HG2 GLU A 75 -16.431 4.801 2.169 1.00 1.79 H new ATOM 0 HG3 GLU A 75 -15.898 4.577 3.823 1.00 1.79 H new ATOM 1012 N ILE A 76 -13.280 5.483 3.569 1.00 1.37 N ATOM 1013 CA ILE A 76 -12.224 4.793 4.312 1.00 1.12 C ATOM 1014 C ILE A 76 -10.992 5.699 4.464 1.00 1.10 C ATOM 1015 O ILE A 76 -10.518 5.898 5.580 1.00 1.05 O ATOM 1016 CB ILE A 76 -11.942 3.433 3.634 1.00 0.95 C ATOM 1017 CG1 ILE A 76 -13.158 2.488 3.819 1.00 1.01 C ATOM 1018 CG2 ILE A 76 -10.671 2.800 4.213 1.00 0.75 C ATOM 1019 CD1 ILE A 76 -13.257 1.361 2.781 1.00 0.96 C ATOM 0 H ILE A 76 -13.437 5.092 2.640 1.00 1.37 H new ATOM 0 HA ILE A 76 -12.540 4.575 5.332 1.00 1.12 H new ATOM 0 HB ILE A 76 -11.785 3.595 2.568 1.00 0.95 H new ATOM 0 HG12 ILE A 76 -13.108 2.045 4.813 1.00 1.01 H new ATOM 0 HG13 ILE A 76 -14.072 3.081 3.780 1.00 1.01 H new ATOM 0 HG21 ILE A 76 -10.486 1.843 3.725 1.00 0.75 H new ATOM 0 HG22 ILE A 76 -9.824 3.464 4.042 1.00 0.75 H new ATOM 0 HG23 ILE A 76 -10.798 2.643 5.284 1.00 0.75 H new ATOM 0 HD11 ILE A 76 -14.136 0.751 2.989 1.00 0.96 H new ATOM 0 HD12 ILE A 76 -13.341 1.792 1.783 1.00 0.96 H new ATOM 0 HD13 ILE A 76 -12.364 0.739 2.833 1.00 0.96 H new ATOM 1031 N LEU A 77 -10.523 6.357 3.397 1.00 1.21 N ATOM 1032 CA LEU A 77 -9.464 7.378 3.501 1.00 1.30 C ATOM 1033 C LEU A 77 -9.878 8.567 4.384 1.00 1.43 C ATOM 1034 O LEU A 77 -9.058 9.115 5.125 1.00 1.43 O ATOM 1035 CB LEU A 77 -9.100 7.854 2.089 1.00 1.46 C ATOM 1036 CG LEU A 77 -8.193 6.863 1.341 1.00 1.40 C ATOM 1037 CD1 LEU A 77 -8.176 7.273 -0.124 1.00 1.60 C ATOM 1038 CD2 LEU A 77 -6.753 6.838 1.877 1.00 1.36 C ATOM 0 H LEU A 77 -10.859 6.202 2.447 1.00 1.21 H new ATOM 0 HA LEU A 77 -8.597 6.926 3.983 1.00 1.30 H new ATOM 0 HB2 LEU A 77 -10.014 8.007 1.515 1.00 1.46 H new ATOM 0 HB3 LEU A 77 -8.599 8.820 2.154 1.00 1.46 H new ATOM 0 HG LEU A 77 -8.594 5.859 1.484 1.00 1.40 H new ATOM 0 HD11 LEU A 77 -7.540 6.589 -0.686 1.00 1.60 H new ATOM 0 HD12 LEU A 77 -9.189 7.237 -0.524 1.00 1.60 H new ATOM 0 HD13 LEU A 77 -7.786 8.287 -0.214 1.00 1.60 H new ATOM 0 HD21 LEU A 77 -6.165 6.119 1.307 1.00 1.36 H new ATOM 0 HD22 LEU A 77 -6.310 7.829 1.777 1.00 1.36 H new ATOM 0 HD23 LEU A 77 -6.761 6.548 2.928 1.00 1.36 H new ATOM 1050 N ARG A 78 -11.168 8.920 4.364 1.00 1.58 N ATOM 1051 CA ARG A 78 -11.763 9.934 5.256 1.00 1.73 C ATOM 1052 C ARG A 78 -11.863 9.478 6.721 1.00 1.65 C ATOM 1053 O ARG A 78 -11.862 10.331 7.611 1.00 1.85 O ATOM 1054 CB ARG A 78 -13.122 10.400 4.703 1.00 1.90 C ATOM 1055 CG ARG A 78 -12.969 11.313 3.475 1.00 2.05 C ATOM 1056 CD ARG A 78 -14.230 11.347 2.602 1.00 2.27 C ATOM 1057 NE ARG A 78 -15.426 11.829 3.319 1.00 3.94 N ATOM 1058 CZ ARG A 78 -16.671 11.443 3.096 1.00 5.21 C ATOM 1059 NH1 ARG A 78 -16.978 10.560 2.193 1.00 5.61 N ATOM 1060 NH2 ARG A 78 -17.651 11.958 3.773 1.00 6.74 N ATOM 0 H ARG A 78 -11.842 8.506 3.720 1.00 1.58 H new ATOM 0 HA ARG A 78 -11.082 10.785 5.270 1.00 1.73 H new ATOM 0 HB2 ARG A 78 -13.720 9.530 4.434 1.00 1.90 H new ATOM 0 HB3 ARG A 78 -13.666 10.932 5.483 1.00 1.90 H new ATOM 0 HG2 ARG A 78 -12.734 12.324 3.806 1.00 2.05 H new ATOM 0 HG3 ARG A 78 -12.126 10.970 2.875 1.00 2.05 H new ATOM 0 HD2 ARG A 78 -14.049 11.989 1.740 1.00 2.27 H new ATOM 0 HD3 ARG A 78 -14.424 10.345 2.218 1.00 2.27 H new ATOM 0 HE ARG A 78 -15.279 12.522 4.053 1.00 3.94 H new ATOM 0 HH11 ARG A 78 -16.245 10.137 1.624 1.00 5.61 H new ATOM 0 HH12 ARG A 78 -17.952 10.291 2.054 1.00 5.61 H new ATOM 0 HH21 ARG A 78 -17.464 12.666 4.483 1.00 6.74 H new ATOM 0 HH22 ARG A 78 -18.609 11.655 3.595 1.00 6.74 H new ATOM 1074 N ALA A 79 -11.882 8.168 6.984 1.00 1.43 N ATOM 1075 CA ALA A 79 -11.754 7.569 8.319 1.00 1.36 C ATOM 1076 C ALA A 79 -10.289 7.385 8.787 1.00 1.12 C ATOM 1077 O ALA A 79 -10.010 7.437 9.991 1.00 1.17 O ATOM 1078 CB ALA A 79 -12.525 6.244 8.320 1.00 1.39 C ATOM 0 H ALA A 79 -11.991 7.470 6.249 1.00 1.43 H new ATOM 0 HA ALA A 79 -12.181 8.259 9.046 1.00 1.36 H new ATOM 0 HB1 ALA A 79 -12.446 5.778 9.302 1.00 1.39 H new ATOM 0 HB2 ALA A 79 -13.574 6.433 8.092 1.00 1.39 H new ATOM 0 HB3 ALA A 79 -12.104 5.578 7.567 1.00 1.39 H new ATOM 1084 N VAL A 80 -9.321 7.248 7.870 1.00 0.94 N ATOM 1085 CA VAL A 80 -7.884 7.363 8.182 1.00 0.81 C ATOM 1086 C VAL A 80 -7.554 8.806 8.557 1.00 0.96 C ATOM 1087 O VAL A 80 -6.778 9.050 9.484 1.00 0.93 O ATOM 1088 CB VAL A 80 -7.015 6.910 6.991 1.00 0.77 C ATOM 1089 CG1 VAL A 80 -5.519 7.055 7.275 1.00 0.86 C ATOM 1090 CG2 VAL A 80 -7.247 5.436 6.660 1.00 0.68 C ATOM 0 H VAL A 80 -9.510 7.054 6.887 1.00 0.94 H new ATOM 0 HA VAL A 80 -7.662 6.708 9.025 1.00 0.81 H new ATOM 0 HB VAL A 80 -7.309 7.554 6.162 1.00 0.77 H new ATOM 0 HG11 VAL A 80 -4.950 6.723 6.407 1.00 0.86 H new ATOM 0 HG12 VAL A 80 -5.288 8.100 7.483 1.00 0.86 H new ATOM 0 HG13 VAL A 80 -5.252 6.445 8.138 1.00 0.86 H new ATOM 0 HG21 VAL A 80 -6.619 5.149 5.816 1.00 0.68 H new ATOM 0 HG22 VAL A 80 -6.993 4.824 7.526 1.00 0.68 H new ATOM 0 HG23 VAL A 80 -8.295 5.282 6.402 1.00 0.68 H new ATOM 1100 N GLY A 81 -8.144 9.761 7.830 1.00 1.21 N ATOM 1101 CA GLY A 81 -7.940 11.202 7.991 1.00 1.40 C ATOM 1102 C GLY A 81 -6.628 11.709 7.383 1.00 1.39 C ATOM 1103 O GLY A 81 -6.359 12.911 7.406 1.00 1.55 O ATOM 0 H GLY A 81 -8.803 9.541 7.083 1.00 1.21 H new ATOM 0 HA2 GLY A 81 -8.773 11.732 7.529 1.00 1.40 H new ATOM 0 HA3 GLY A 81 -7.956 11.446 9.053 1.00 1.40 H new ATOM 1107 N ASN A 82 -5.834 10.809 6.798 1.00 1.28 N ATOM 1108 CA ASN A 82 -4.575 11.074 6.097 1.00 1.42 C ATOM 1109 C ASN A 82 -4.337 9.990 5.021 1.00 1.49 C ATOM 1110 O ASN A 82 -5.181 9.113 4.827 1.00 1.47 O ATOM 1111 CB ASN A 82 -3.443 11.143 7.151 1.00 1.32 C ATOM 1112 CG ASN A 82 -2.218 11.876 6.631 1.00 1.88 C ATOM 1113 OD1 ASN A 82 -2.219 13.097 6.510 1.00 2.94 O ATOM 1114 ND2 ASN A 82 -1.192 11.162 6.235 1.00 2.06 N ATOM 0 H ASN A 82 -6.067 9.816 6.801 1.00 1.28 H new ATOM 0 HA ASN A 82 -4.604 12.028 5.570 1.00 1.42 H new ATOM 0 HB2 ASN A 82 -3.812 11.645 8.045 1.00 1.32 H new ATOM 0 HB3 ASN A 82 -3.161 10.132 7.446 1.00 1.32 H new ATOM 0 HD21 ASN A 82 -0.381 11.621 5.820 1.00 2.06 H new ATOM 0 HD22 ASN A 82 -1.205 10.148 6.342 1.00 2.06 H new ATOM 1121 N MET A 83 -3.183 10.011 4.354 1.00 1.61 N ATOM 1122 CA MET A 83 -2.617 8.823 3.715 1.00 1.54 C ATOM 1123 C MET A 83 -2.292 7.786 4.811 1.00 1.53 C ATOM 1124 O MET A 83 -1.638 8.164 5.790 1.00 1.74 O ATOM 1125 CB MET A 83 -1.347 9.242 2.950 1.00 1.63 C ATOM 1126 CG MET A 83 -0.873 8.235 1.894 1.00 1.56 C ATOM 1127 SD MET A 83 -1.507 8.530 0.217 1.00 1.54 S ATOM 1128 CE MET A 83 -3.181 7.853 0.350 1.00 1.42 C ATOM 0 H MET A 83 -2.615 10.851 4.242 1.00 1.61 H new ATOM 0 HA MET A 83 -3.319 8.377 3.011 1.00 1.54 H new ATOM 0 HB2 MET A 83 -1.532 10.199 2.462 1.00 1.63 H new ATOM 0 HB3 MET A 83 -0.542 9.401 3.668 1.00 1.63 H new ATOM 0 HG2 MET A 83 0.216 8.249 1.863 1.00 1.56 H new ATOM 0 HG3 MET A 83 -1.170 7.234 2.208 1.00 1.56 H new ATOM 0 HE1 MET A 83 -3.612 7.750 -0.646 1.00 1.42 H new ATOM 0 HE2 MET A 83 -3.141 6.876 0.831 1.00 1.42 H new ATOM 0 HE3 MET A 83 -3.799 8.525 0.945 1.00 1.42 H new ATOM 1138 N PRO A 84 -2.697 6.505 4.685 1.00 1.36 N ATOM 1139 CA PRO A 84 -2.367 5.457 5.656 1.00 1.39 C ATOM 1140 C PRO A 84 -0.913 4.968 5.544 1.00 1.52 C ATOM 1141 O PRO A 84 -0.488 4.108 6.322 1.00 1.61 O ATOM 1142 CB PRO A 84 -3.391 4.339 5.425 1.00 1.24 C ATOM 1143 CG PRO A 84 -3.880 4.526 3.987 1.00 1.19 C ATOM 1144 CD PRO A 84 -3.582 5.988 3.654 1.00 1.24 C ATOM 0 HA PRO A 84 -2.427 5.839 6.675 1.00 1.39 H new ATOM 0 HB2 PRO A 84 -2.938 3.357 5.561 1.00 1.24 H new ATOM 0 HB3 PRO A 84 -4.217 4.410 6.133 1.00 1.24 H new ATOM 0 HG2 PRO A 84 -3.363 3.852 3.304 1.00 1.19 H new ATOM 0 HG3 PRO A 84 -4.945 4.311 3.901 1.00 1.19 H new ATOM 0 HD2 PRO A 84 -3.114 6.069 2.673 1.00 1.24 H new ATOM 0 HD3 PRO A 84 -4.505 6.567 3.616 1.00 1.24 H new ATOM 1152 N TYR A 85 -0.159 5.505 4.577 1.00 1.57 N ATOM 1153 CA TYR A 85 1.259 5.208 4.303 1.00 1.77 C ATOM 1154 C TYR A 85 2.112 6.461 4.032 1.00 2.36 C ATOM 1155 O TYR A 85 3.294 6.333 3.633 1.00 2.51 O ATOM 1156 CB TYR A 85 1.330 4.163 3.178 1.00 1.43 C ATOM 1157 CG TYR A 85 0.477 4.486 1.966 1.00 1.31 C ATOM 1158 CD1 TYR A 85 -0.859 4.045 1.922 1.00 2.13 C ATOM 1159 CD2 TYR A 85 1.006 5.230 0.898 1.00 2.04 C ATOM 1160 CE1 TYR A 85 -1.670 4.333 0.810 1.00 2.14 C ATOM 1161 CE2 TYR A 85 0.205 5.503 -0.228 1.00 2.21 C ATOM 1162 CZ TYR A 85 -1.130 5.045 -0.282 1.00 1.58 C ATOM 1163 OH TYR A 85 -1.902 5.284 -1.375 1.00 1.84 O ATOM 0 H TYR A 85 -0.538 6.195 3.929 1.00 1.57 H new ATOM 0 HA TYR A 85 1.710 4.790 5.203 1.00 1.77 H new ATOM 0 HB2 TYR A 85 2.367 4.060 2.860 1.00 1.43 H new ATOM 0 HB3 TYR A 85 1.022 3.197 3.577 1.00 1.43 H new ATOM 0 HD1 TYR A 85 -1.264 3.481 2.749 1.00 2.13 H new ATOM 0 HD2 TYR A 85 2.023 5.591 0.940 1.00 2.04 H new ATOM 0 HE1 TYR A 85 -2.701 4.011 0.792 1.00 2.14 H new ATOM 0 HE2 TYR A 85 0.614 6.065 -1.054 1.00 2.21 H new ATOM 0 HH TYR A 85 -1.384 5.786 -2.038 1.00 1.84 H new TER 1173 TYR A 85