USER MOD reduce.3.24.130724 H: found=0, std=0, add=750, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 751 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 76 TYR OH : rot 180:sc= 0.987 USER MOD Set 1.2: A 80 LYS NZ :NH3+ -148:sc= 1.15 (180deg=-0.155) USER MOD Set 2.1: A 69 CYS SG : rot -170:sc= 0.0595 USER MOD Set 2.2: A 94 TYR OH : rot 29:sc= 0.12 USER MOD Set 3.1: A 50 THR OG1 : rot 180:sc= 0.0631 USER MOD Set 3.2: A 100 MET CE :methyl 139:sc= -0.0225 (180deg=-0.269) USER MOD Set 4.1: A 32 GLN : amide:sc= 0.78 K(o=1.7,f=-0.65) USER MOD Set 4.2: A 41 GLN : amide:sc= 0.889 K(o=1.7,f=0) USER MOD Set 4.3: A 117 SER OG : rot -170:sc= 0 USER MOD Single : A 38 ASN :FLIP amide:sc= -0.923 F(o=-1.5,f=-0.92) USER MOD Single : A 42 TYR OH : rot 142:sc= 1.18 USER MOD Single : A 43 ASN : amide:sc= -0.178 K(o=-0.18,f=-8.7!) USER MOD Single : A 55 LYS NZ :NH3+ -163:sc= -0.0338 (180deg=-0.303) USER MOD Single : A 56 GLN : amide:sc= -0.128 K(o=-0.13,f=-0.88) USER MOD Single : A 60 LYS NZ :NH3+ -133:sc= 1.3 (180deg=0.771) USER MOD Single : A 61 ASN : amide:sc= -0.155 K(o=-0.16,f=-4.7!) USER MOD Single : A 64 LYS NZ :NH3+ -133:sc= 0.934 (180deg=-0.18) USER MOD Single : A 70 THR OG1 : rot -103:sc= -1.77! USER MOD Single : A 72 SER OG : rot 180:sc=-0.00729 USER MOD Single : A 78 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00925) USER MOD Single : A 85 SER OG : rot 98:sc= 1.24 USER MOD Single : A 87 ASN : amide:sc= -0.0851 X(o=-0.085,f=-0.036) USER MOD Single : A 89 ASN :FLIP amide:sc= -0.508 F(o=-2.8!,f=-0.51) USER MOD Single : A 90 THR OG1 : rot 180:sc= -0.141 USER MOD Single : A 91 MET CE :methyl 138:sc= -0.136 (180deg=-0.64) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= 0.459 X(o=0.46,f=0) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0.0375 USER MOD Single : A 103 THR OG1 : rot 69:sc= 0.865 USER MOD Single : A 104 LYS NZ :NH3+ -179:sc= 0.121 (180deg=0.116) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 HIS : no HD1:sc= -0.345 X(o=-0.34,f=0.024) USER MOD Single : A 109 MET CE :methyl -110:sc= -3.16 (180deg=-8.09!) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ -145:sc= -1.47 (180deg=-3.65!) USER MOD Single : A 114 SER OG : rot 180:sc= 0.0106 USER MOD Single : A 118 TYR OH : rot 180:sc= -0.565 USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 30 N PHE A 28 -7.945 -1.965 10.169 1.00 1.27 N ATOM 31 CA PHE A 28 -6.570 -1.564 9.919 1.00 1.21 C ATOM 32 C PHE A 28 -5.962 -2.418 8.819 1.00 0.94 C ATOM 33 O PHE A 28 -6.159 -3.635 8.783 1.00 0.94 O ATOM 34 CB PHE A 28 -5.728 -1.668 11.190 1.00 1.52 C ATOM 35 CG PHE A 28 -6.021 -0.595 12.201 1.00 1.96 C ATOM 36 CD1 PHE A 28 -5.694 0.727 11.939 1.00 2.75 C ATOM 37 CD2 PHE A 28 -6.613 -0.906 13.414 1.00 2.12 C ATOM 38 CE1 PHE A 28 -5.955 1.718 12.866 1.00 3.75 C ATOM 39 CE2 PHE A 28 -6.876 0.081 14.345 1.00 2.99 C ATOM 40 CZ PHE A 28 -6.546 1.394 14.071 1.00 3.85 C ATOM 0 HA PHE A 28 -6.576 -0.523 9.597 1.00 1.21 H new ATOM 0 HB2 PHE A 28 -5.898 -2.642 11.648 1.00 1.52 H new ATOM 0 HB3 PHE A 28 -4.673 -1.622 10.920 1.00 1.52 H new ATOM 0 HD1 PHE A 28 -5.230 0.985 10.999 1.00 2.75 H new ATOM 0 HD2 PHE A 28 -6.872 -1.931 13.635 1.00 2.12 H new ATOM 0 HE1 PHE A 28 -5.697 2.744 12.648 1.00 3.75 H new ATOM 0 HE2 PHE A 28 -7.339 -0.174 15.287 1.00 2.99 H new ATOM 0 HZ PHE A 28 -6.750 2.166 14.798 1.00 3.85 H new ATOM 50 N GLY A 29 -5.218 -1.778 7.930 1.00 0.85 N ATOM 51 CA GLY A 29 -4.646 -2.475 6.802 1.00 0.73 C ATOM 52 C GLY A 29 -3.162 -2.725 6.967 1.00 0.63 C ATOM 53 O GLY A 29 -2.462 -1.959 7.632 1.00 0.69 O ATOM 0 H GLY A 29 -5.000 -0.782 7.972 1.00 0.85 H new ATOM 0 HA2 GLY A 29 -5.159 -3.427 6.669 1.00 0.73 H new ATOM 0 HA3 GLY A 29 -4.815 -1.893 5.896 1.00 0.73 H new ATOM 57 N ALA A 30 -2.688 -3.797 6.359 1.00 0.66 N ATOM 58 CA ALA A 30 -1.281 -4.161 6.394 1.00 0.59 C ATOM 59 C ALA A 30 -0.913 -4.840 5.088 1.00 0.56 C ATOM 60 O ALA A 30 -1.292 -5.984 4.847 1.00 0.65 O ATOM 61 CB ALA A 30 -0.984 -5.075 7.578 1.00 0.71 C ATOM 0 H ALA A 30 -3.269 -4.443 5.825 1.00 0.66 H new ATOM 0 HA ALA A 30 -0.681 -3.260 6.517 1.00 0.59 H new ATOM 0 HB1 ALA A 30 0.075 -5.333 7.582 1.00 0.71 H new ATOM 0 HB2 ALA A 30 -1.236 -4.562 8.506 1.00 0.71 H new ATOM 0 HB3 ALA A 30 -1.579 -5.985 7.494 1.00 0.71 H new ATOM 67 N ILE A 31 -0.210 -4.116 4.234 1.00 0.49 N ATOM 68 CA ILE A 31 0.120 -4.603 2.909 1.00 0.53 C ATOM 69 C ILE A 31 1.639 -4.737 2.771 1.00 0.43 C ATOM 70 O ILE A 31 2.390 -4.126 3.526 1.00 0.49 O ATOM 71 CB ILE A 31 -0.355 -3.779 1.970 1.00 0.62 C ATOM 72 CG1 ILE A 31 -1.811 -3.399 2.261 1.00 0.82 C ATOM 73 CG2 ILE A 31 -0.257 -4.406 0.582 1.00 1.08 C ATOM 74 CD1 ILE A 31 -2.388 -2.390 1.291 1.00 0.96 C ATOM 0 H ILE A 31 0.145 -3.182 4.439 1.00 0.49 H new ATOM 0 HA ILE A 31 -0.342 -5.581 2.772 1.00 0.53 H new ATOM 0 HB ILE A 31 0.258 -2.878 1.990 1.00 0.62 H new ATOM 0 HG12 ILE A 31 -2.423 -4.301 2.238 1.00 0.82 H new ATOM 0 HG13 ILE A 31 -1.876 -2.995 3.271 1.00 0.82 H new ATOM 0 HG21 ILE A 31 -0.651 -3.711 -0.160 1.00 1.08 H new ATOM 0 HG22 ILE A 31 0.786 -4.626 0.355 1.00 1.08 H new ATOM 0 HG23 ILE A 31 -0.836 -5.329 0.558 1.00 1.08 H new ATOM 0 HD11 ILE A 31 -3.421 -2.173 1.563 1.00 0.96 H new ATOM 0 HD12 ILE A 31 -1.802 -1.472 1.329 1.00 0.96 H new ATOM 0 HD13 ILE A 31 -2.357 -2.798 0.281 1.00 0.96 H new ATOM 86 N GLN A 32 2.086 -5.582 1.861 1.00 0.39 N ATOM 87 CA GLN A 32 3.505 -5.735 1.592 1.00 0.34 C ATOM 88 C GLN A 32 3.778 -5.431 0.119 1.00 0.33 C ATOM 89 O GLN A 32 3.326 -6.165 -0.758 1.00 0.36 O ATOM 90 CB GLN A 32 3.947 -7.158 1.957 1.00 0.37 C ATOM 91 CG GLN A 32 5.448 -7.391 1.881 1.00 0.53 C ATOM 92 CD GLN A 32 5.850 -8.758 2.404 1.00 0.58 C ATOM 93 OE1 GLN A 32 5.082 -9.720 2.332 1.00 0.68 O ATOM 94 NE2 GLN A 32 7.059 -8.855 2.933 1.00 0.86 N ATOM 0 H GLN A 32 1.483 -6.177 1.292 1.00 0.39 H new ATOM 0 HA GLN A 32 4.078 -5.035 2.199 1.00 0.34 H new ATOM 0 HB2 GLN A 32 3.608 -7.382 2.968 1.00 0.37 H new ATOM 0 HB3 GLN A 32 3.449 -7.862 1.291 1.00 0.37 H new ATOM 0 HG2 GLN A 32 5.776 -7.290 0.847 1.00 0.53 H new ATOM 0 HG3 GLN A 32 5.962 -6.620 2.455 1.00 0.53 H new ATOM 0 HE21 GLN A 32 7.665 -8.036 2.974 1.00 0.86 H new ATOM 0 HE22 GLN A 32 7.385 -9.749 3.300 1.00 0.86 H new ATOM 103 N LEU A 33 4.475 -4.329 -0.148 1.00 0.38 N ATOM 104 CA LEU A 33 4.806 -3.951 -1.523 1.00 0.41 C ATOM 105 C LEU A 33 6.306 -4.070 -1.739 1.00 0.33 C ATOM 106 O LEU A 33 7.077 -3.855 -0.812 1.00 0.36 O ATOM 107 CB LEU A 33 4.389 -2.508 -1.846 1.00 0.56 C ATOM 108 CG LEU A 33 2.994 -2.078 -1.386 1.00 0.91 C ATOM 109 CD1 LEU A 33 2.699 -0.659 -1.845 1.00 1.24 C ATOM 110 CD2 LEU A 33 1.935 -3.037 -1.909 1.00 1.62 C ATOM 0 H LEU A 33 4.820 -3.685 0.563 1.00 0.38 H new ATOM 0 HA LEU A 33 4.258 -4.626 -2.180 1.00 0.41 H new ATOM 0 HB2 LEU A 33 5.118 -1.834 -1.397 1.00 0.56 H new ATOM 0 HB3 LEU A 33 4.449 -2.370 -2.925 1.00 0.56 H new ATOM 0 HG LEU A 33 2.969 -2.103 -0.297 1.00 0.91 H new ATOM 0 HD11 LEU A 33 1.703 -0.368 -1.510 1.00 1.24 H new ATOM 0 HD12 LEU A 33 3.438 0.021 -1.421 1.00 1.24 H new ATOM 0 HD13 LEU A 33 2.744 -0.612 -2.933 1.00 1.24 H new ATOM 0 HD21 LEU A 33 0.951 -2.713 -1.570 1.00 1.62 H new ATOM 0 HD22 LEU A 33 1.959 -3.046 -2.999 1.00 1.62 H new ATOM 0 HD23 LEU A 33 2.135 -4.040 -1.533 1.00 1.62 H new ATOM 122 N ASP A 34 6.722 -4.388 -2.950 1.00 0.33 N ATOM 123 CA ASP A 34 8.144 -4.513 -3.250 1.00 0.34 C ATOM 124 C ASP A 34 8.631 -3.296 -4.035 1.00 0.40 C ATOM 125 O ASP A 34 7.823 -2.495 -4.509 1.00 0.43 O ATOM 126 CB ASP A 34 8.433 -5.801 -4.024 1.00 0.38 C ATOM 127 CG ASP A 34 8.390 -5.609 -5.524 1.00 0.51 C ATOM 128 OD1 ASP A 34 7.364 -5.143 -6.044 1.00 0.89 O ATOM 129 OD2 ASP A 34 9.395 -5.922 -6.190 1.00 1.22 O ATOM 0 H ASP A 34 6.103 -4.565 -3.741 1.00 0.33 H new ATOM 0 HA ASP A 34 8.686 -4.560 -2.306 1.00 0.34 H new ATOM 0 HB2 ASP A 34 9.415 -6.177 -3.739 1.00 0.38 H new ATOM 0 HB3 ASP A 34 7.706 -6.561 -3.739 1.00 0.38 H new ATOM 134 N GLY A 35 9.950 -3.162 -4.161 1.00 0.47 N ATOM 135 CA GLY A 35 10.542 -1.997 -4.807 1.00 0.57 C ATOM 136 C GLY A 35 10.210 -1.878 -6.288 1.00 0.64 C ATOM 137 O GLY A 35 10.552 -0.879 -6.926 1.00 0.79 O ATOM 0 H GLY A 35 10.627 -3.846 -3.824 1.00 0.47 H new ATOM 0 HA2 GLY A 35 10.201 -1.097 -4.295 1.00 0.57 H new ATOM 0 HA3 GLY A 35 11.625 -2.040 -4.690 1.00 0.57 H new ATOM 141 N ASP A 36 9.563 -2.895 -6.845 1.00 0.58 N ATOM 142 CA ASP A 36 9.116 -2.840 -8.231 1.00 0.66 C ATOM 143 C ASP A 36 7.721 -2.240 -8.299 1.00 0.61 C ATOM 144 O ASP A 36 7.447 -1.359 -9.116 1.00 0.78 O ATOM 145 CB ASP A 36 9.104 -4.232 -8.863 1.00 0.69 C ATOM 146 CG ASP A 36 8.867 -4.183 -10.357 1.00 1.21 C ATOM 147 OD1 ASP A 36 7.697 -4.264 -10.790 1.00 1.95 O ATOM 148 OD2 ASP A 36 9.856 -4.072 -11.112 1.00 1.56 O ATOM 0 H ASP A 36 9.337 -3.764 -6.361 1.00 0.58 H new ATOM 0 HA ASP A 36 9.815 -2.215 -8.787 1.00 0.66 H new ATOM 0 HB2 ASP A 36 10.055 -4.727 -8.664 1.00 0.69 H new ATOM 0 HB3 ASP A 36 8.327 -4.835 -8.394 1.00 0.69 H new ATOM 153 N GLY A 37 6.852 -2.708 -7.415 1.00 0.51 N ATOM 154 CA GLY A 37 5.486 -2.228 -7.384 1.00 0.53 C ATOM 155 C GLY A 37 4.483 -3.356 -7.263 1.00 0.47 C ATOM 156 O GLY A 37 3.280 -3.153 -7.443 1.00 0.53 O ATOM 0 H GLY A 37 7.071 -3.416 -6.714 1.00 0.51 H new ATOM 0 HA2 GLY A 37 5.363 -1.544 -6.545 1.00 0.53 H new ATOM 0 HA3 GLY A 37 5.282 -1.659 -8.291 1.00 0.53 H new ATOM 160 N ASN A 38 4.977 -4.545 -6.946 1.00 0.40 N ATOM 161 CA ASN A 38 4.127 -5.722 -6.829 1.00 0.39 C ATOM 162 C ASN A 38 3.612 -5.855 -5.413 1.00 0.34 C ATOM 163 O ASN A 38 4.271 -5.437 -4.459 1.00 0.40 O ATOM 164 CB ASN A 38 4.874 -7.009 -7.208 1.00 0.44 C ATOM 165 CG ASN A 38 5.001 -7.211 -8.707 1.00 0.70 C ATOM 166 OD1 ASN A 38 5.095 -6.122 -9.447 1.00 1.30 O flip ATOM 167 ND2 ASN A 38 5.007 -8.342 -9.199 1.00 1.24 N flip ATOM 0 H ASN A 38 5.965 -4.720 -6.765 1.00 0.40 H new ATOM 0 HA ASN A 38 3.297 -5.588 -7.522 1.00 0.39 H new ATOM 0 HB2 ASN A 38 5.870 -6.986 -6.766 1.00 0.44 H new ATOM 0 HB3 ASN A 38 4.353 -7.864 -6.776 1.00 0.44 H new ATOM 0 HD21 ASN A 38 4.932 -9.161 -8.596 1.00 1.24 H new ATOM 0 HD22 ASN A 38 5.087 -8.458 -10.209 1.00 1.24 H new ATOM 174 N ILE A 39 2.431 -6.427 -5.283 1.00 0.32 N ATOM 175 CA ILE A 39 1.864 -6.697 -3.982 1.00 0.32 C ATOM 176 C ILE A 39 2.203 -8.121 -3.557 1.00 0.36 C ATOM 177 O ILE A 39 2.360 -9.010 -4.396 1.00 0.41 O ATOM 178 CB ILE A 39 0.551 -6.540 -3.975 1.00 0.37 C ATOM 179 CG1 ILE A 39 0.151 -5.260 -4.698 1.00 0.41 C ATOM 180 CG2 ILE A 39 0.029 -6.516 -2.542 1.00 0.43 C ATOM 181 CD1 ILE A 39 -1.342 -5.105 -4.878 1.00 0.89 C ATOM 0 H ILE A 39 1.846 -6.714 -6.068 1.00 0.32 H new ATOM 0 HA ILE A 39 2.294 -5.982 -3.281 1.00 0.32 H new ATOM 0 HB ILE A 39 0.106 -7.384 -4.502 1.00 0.37 H new ATOM 0 HG12 ILE A 39 0.532 -4.404 -4.140 1.00 0.41 H new ATOM 0 HG13 ILE A 39 0.630 -5.241 -5.677 1.00 0.41 H new ATOM 0 HG21 ILE A 39 -1.053 -6.386 -2.551 1.00 0.43 H new ATOM 0 HG22 ILE A 39 0.278 -7.455 -2.048 1.00 0.43 H new ATOM 0 HG23 ILE A 39 0.489 -5.689 -2.001 1.00 0.43 H new ATOM 0 HD11 ILE A 39 -1.551 -4.171 -5.400 1.00 0.89 H new ATOM 0 HD12 ILE A 39 -1.727 -5.941 -5.462 1.00 0.89 H new ATOM 0 HD13 ILE A 39 -1.827 -5.091 -3.902 1.00 0.89 H new ATOM 193 N LEU A 40 2.412 -8.305 -2.266 1.00 0.40 N ATOM 194 CA LEU A 40 2.693 -9.609 -1.706 1.00 0.49 C ATOM 195 C LEU A 40 1.483 -10.122 -0.948 1.00 0.56 C ATOM 196 O LEU A 40 0.826 -11.076 -1.356 1.00 0.73 O ATOM 197 CB LEU A 40 3.881 -9.511 -0.748 1.00 0.55 C ATOM 198 CG LEU A 40 5.273 -9.369 -1.386 1.00 0.59 C ATOM 199 CD1 LEU A 40 5.661 -10.644 -2.116 1.00 1.39 C ATOM 200 CD2 LEU A 40 5.341 -8.175 -2.331 1.00 1.45 C ATOM 0 H LEU A 40 2.391 -7.552 -1.578 1.00 0.40 H new ATOM 0 HA LEU A 40 2.929 -10.298 -2.517 1.00 0.49 H new ATOM 0 HB2 LEU A 40 3.719 -8.656 -0.091 1.00 0.55 H new ATOM 0 HB3 LEU A 40 3.885 -10.401 -0.118 1.00 0.55 H new ATOM 0 HG LEU A 40 5.985 -9.195 -0.579 1.00 0.59 H new ATOM 0 HD11 LEU A 40 6.649 -10.523 -2.560 1.00 1.39 H new ATOM 0 HD12 LEU A 40 5.680 -11.475 -1.411 1.00 1.39 H new ATOM 0 HD13 LEU A 40 4.933 -10.850 -2.901 1.00 1.39 H new ATOM 0 HD21 LEU A 40 6.340 -8.108 -2.762 1.00 1.45 H new ATOM 0 HD22 LEU A 40 4.609 -8.301 -3.129 1.00 1.45 H new ATOM 0 HD23 LEU A 40 5.122 -7.261 -1.779 1.00 1.45 H new ATOM 212 N GLN A 41 1.193 -9.463 0.162 1.00 0.59 N ATOM 213 CA GLN A 41 0.121 -9.884 1.040 1.00 0.73 C ATOM 214 C GLN A 41 -0.737 -8.696 1.447 1.00 0.61 C ATOM 215 O GLN A 41 -0.220 -7.636 1.799 1.00 0.60 O ATOM 216 CB GLN A 41 0.694 -10.548 2.294 1.00 0.99 C ATOM 217 CG GLN A 41 1.600 -11.732 2.000 1.00 0.88 C ATOM 218 CD GLN A 41 2.283 -12.265 3.243 1.00 1.20 C ATOM 219 OE1 GLN A 41 1.760 -13.146 3.926 1.00 1.99 O ATOM 220 NE2 GLN A 41 3.460 -11.736 3.545 1.00 1.30 N ATOM 0 H GLN A 41 1.690 -8.629 0.475 1.00 0.59 H new ATOM 0 HA GLN A 41 -0.498 -10.601 0.500 1.00 0.73 H new ATOM 0 HB2 GLN A 41 1.254 -9.806 2.863 1.00 0.99 H new ATOM 0 HB3 GLN A 41 -0.129 -10.880 2.927 1.00 0.99 H new ATOM 0 HG2 GLN A 41 1.014 -12.529 1.542 1.00 0.88 H new ATOM 0 HG3 GLN A 41 2.356 -11.435 1.273 1.00 0.88 H new ATOM 0 HE21 GLN A 41 3.859 -11.008 2.953 1.00 1.30 H new ATOM 0 HE22 GLN A 41 3.967 -12.057 4.370 1.00 1.30 H new ATOM 229 N TYR A 42 -2.042 -8.877 1.359 1.00 0.68 N ATOM 230 CA TYR A 42 -2.998 -7.907 1.882 1.00 0.69 C ATOM 231 C TYR A 42 -3.423 -8.292 3.295 1.00 0.78 C ATOM 232 O TYR A 42 -2.932 -9.270 3.860 1.00 1.25 O ATOM 233 CB TYR A 42 -4.244 -7.829 0.993 1.00 0.78 C ATOM 234 CG TYR A 42 -4.195 -6.771 -0.086 1.00 0.68 C ATOM 235 CD1 TYR A 42 -5.373 -6.289 -0.645 1.00 0.83 C ATOM 236 CD2 TYR A 42 -2.992 -6.251 -0.542 1.00 0.57 C ATOM 237 CE1 TYR A 42 -5.354 -5.319 -1.626 1.00 0.80 C ATOM 238 CE2 TYR A 42 -2.966 -5.279 -1.525 1.00 0.56 C ATOM 239 CZ TYR A 42 -4.148 -4.818 -2.064 1.00 0.63 C ATOM 240 OH TYR A 42 -4.124 -3.853 -3.041 1.00 0.71 O ATOM 0 H TYR A 42 -2.472 -9.695 0.926 1.00 0.68 H new ATOM 0 HA TYR A 42 -2.508 -6.934 1.895 1.00 0.69 H new ATOM 0 HB2 TYR A 42 -4.397 -8.800 0.522 1.00 0.78 H new ATOM 0 HB3 TYR A 42 -5.112 -7.641 1.625 1.00 0.78 H new ATOM 0 HD1 TYR A 42 -6.320 -6.681 -0.305 1.00 0.83 H new ATOM 0 HD2 TYR A 42 -2.064 -6.610 -0.123 1.00 0.57 H new ATOM 0 HE1 TYR A 42 -6.279 -4.955 -2.048 1.00 0.80 H new ATOM 0 HE2 TYR A 42 -2.022 -4.882 -1.869 1.00 0.56 H new ATOM 0 HH TYR A 42 -3.415 -3.206 -2.844 1.00 0.71 H new ATOM 250 N ASN A 43 -4.350 -7.527 3.847 1.00 0.89 N ATOM 251 CA ASN A 43 -4.905 -7.805 5.162 1.00 0.95 C ATOM 252 C ASN A 43 -6.403 -8.055 5.014 1.00 1.08 C ATOM 253 O ASN A 43 -6.989 -7.735 3.976 1.00 1.63 O ATOM 254 CB ASN A 43 -4.636 -6.616 6.100 1.00 0.96 C ATOM 255 CG ASN A 43 -4.766 -6.942 7.585 1.00 1.38 C ATOM 256 OD1 ASN A 43 -5.494 -7.846 7.990 1.00 2.13 O ATOM 257 ND2 ASN A 43 -4.062 -6.188 8.413 1.00 1.66 N ATOM 0 H ASN A 43 -4.739 -6.698 3.398 1.00 0.89 H new ATOM 0 HA ASN A 43 -4.436 -8.689 5.594 1.00 0.95 H new ATOM 0 HB2 ASN A 43 -3.631 -6.239 5.910 1.00 0.96 H new ATOM 0 HB3 ASN A 43 -5.330 -5.812 5.855 1.00 0.96 H new ATOM 0 HD21 ASN A 43 -4.114 -6.349 9.419 1.00 1.66 H new ATOM 0 HD22 ASN A 43 -3.467 -5.446 8.046 1.00 1.66 H new ATOM 264 N ALA A 44 -7.024 -8.604 6.047 1.00 1.12 N ATOM 265 CA ALA A 44 -8.449 -8.918 6.018 1.00 1.23 C ATOM 266 C ALA A 44 -9.300 -7.660 6.203 1.00 1.22 C ATOM 267 O ALA A 44 -10.472 -7.734 6.567 1.00 1.39 O ATOM 268 CB ALA A 44 -8.777 -9.956 7.080 1.00 1.48 C ATOM 0 H ALA A 44 -6.561 -8.844 6.924 1.00 1.12 H new ATOM 0 HA ALA A 44 -8.688 -9.332 5.038 1.00 1.23 H new ATOM 0 HB1 ALA A 44 -9.843 -10.183 7.050 1.00 1.48 H new ATOM 0 HB2 ALA A 44 -8.207 -10.865 6.889 1.00 1.48 H new ATOM 0 HB3 ALA A 44 -8.517 -9.565 8.064 1.00 1.48 H new ATOM 274 N ALA A 45 -8.697 -6.504 5.966 1.00 1.21 N ATOM 275 CA ALA A 45 -9.427 -5.250 5.939 1.00 1.34 C ATOM 276 C ALA A 45 -9.855 -4.918 4.513 1.00 1.26 C ATOM 277 O ALA A 45 -11.028 -4.638 4.257 1.00 1.38 O ATOM 278 CB ALA A 45 -8.582 -4.128 6.525 1.00 1.52 C ATOM 0 H ALA A 45 -7.697 -6.411 5.789 1.00 1.21 H new ATOM 0 HA ALA A 45 -10.323 -5.355 6.551 1.00 1.34 H new ATOM 0 HB1 ALA A 45 -9.145 -3.195 6.497 1.00 1.52 H new ATOM 0 HB2 ALA A 45 -8.326 -4.366 7.557 1.00 1.52 H new ATOM 0 HB3 ALA A 45 -7.668 -4.018 5.941 1.00 1.52 H new ATOM 284 N GLU A 46 -8.907 -5.000 3.575 1.00 1.18 N ATOM 285 CA GLU A 46 -9.182 -4.672 2.178 1.00 1.23 C ATOM 286 C GLU A 46 -10.093 -5.729 1.563 1.00 1.20 C ATOM 287 O GLU A 46 -10.865 -5.456 0.643 1.00 1.42 O ATOM 288 CB GLU A 46 -7.891 -4.591 1.351 1.00 1.27 C ATOM 289 CG GLU A 46 -6.686 -4.001 2.075 1.00 1.10 C ATOM 290 CD GLU A 46 -6.976 -2.703 2.801 1.00 1.31 C ATOM 291 OE1 GLU A 46 -7.099 -2.734 4.043 1.00 2.12 O ATOM 292 OE2 GLU A 46 -7.076 -1.445 2.076 1.00 1.31 O ATOM 0 H GLU A 46 -7.947 -5.290 3.759 1.00 1.18 H new ATOM 0 HA GLU A 46 -9.669 -3.697 2.162 1.00 1.23 H new ATOM 0 HB2 GLU A 46 -7.634 -5.594 1.011 1.00 1.27 H new ATOM 0 HB3 GLU A 46 -8.087 -3.993 0.461 1.00 1.27 H new ATOM 0 HG2 GLU A 46 -6.314 -4.731 2.793 1.00 1.10 H new ATOM 0 HG3 GLU A 46 -5.889 -3.830 1.352 1.00 1.10 H new ATOM 300 N GLY A 47 -9.993 -6.946 2.071 1.00 1.08 N ATOM 301 CA GLY A 47 -10.814 -8.027 1.567 1.00 1.18 C ATOM 302 C GLY A 47 -12.144 -8.118 2.279 1.00 1.25 C ATOM 303 O GLY A 47 -13.011 -8.896 1.889 1.00 1.42 O ATOM 0 H GLY A 47 -9.357 -7.206 2.825 1.00 1.08 H new ATOM 0 HA2 GLY A 47 -10.985 -7.883 0.500 1.00 1.18 H new ATOM 0 HA3 GLY A 47 -10.279 -8.970 1.680 1.00 1.18 H new ATOM 307 N ASP A 48 -12.314 -7.305 3.308 1.00 1.26 N ATOM 308 CA ASP A 48 -13.524 -7.346 4.116 1.00 1.49 C ATOM 309 C ASP A 48 -14.635 -6.533 3.463 1.00 1.53 C ATOM 310 O ASP A 48 -15.691 -7.067 3.126 1.00 1.74 O ATOM 311 CB ASP A 48 -13.237 -6.817 5.522 1.00 1.72 C ATOM 312 CG ASP A 48 -14.410 -6.990 6.464 1.00 2.01 C ATOM 313 OD1 ASP A 48 -15.044 -5.978 6.825 1.00 2.28 O ATOM 314 OD2 ASP A 48 -14.686 -8.138 6.869 1.00 2.35 O ATOM 0 H ASP A 48 -11.631 -6.608 3.605 1.00 1.26 H new ATOM 0 HA ASP A 48 -13.855 -8.382 4.189 1.00 1.49 H new ATOM 0 HB2 ASP A 48 -12.369 -7.335 5.930 1.00 1.72 H new ATOM 0 HB3 ASP A 48 -12.978 -5.760 5.462 1.00 1.72 H new ATOM 319 N ILE A 49 -14.387 -5.242 3.276 1.00 1.50 N ATOM 320 CA ILE A 49 -15.369 -4.356 2.680 1.00 1.74 C ATOM 321 C ILE A 49 -15.163 -4.207 1.171 1.00 1.73 C ATOM 322 O ILE A 49 -16.111 -4.346 0.397 1.00 2.08 O ATOM 323 CB ILE A 49 -15.360 -3.167 3.266 1.00 1.98 C ATOM 324 CG1 ILE A 49 -13.941 -2.650 3.518 1.00 2.10 C ATOM 325 CG2 ILE A 49 -16.167 -3.219 4.557 1.00 2.43 C ATOM 326 CD1 ILE A 49 -13.887 -1.376 4.337 1.00 2.59 C ATOM 0 H ILE A 49 -13.510 -4.788 3.531 1.00 1.50 H new ATOM 0 HA ILE A 49 -16.345 -4.814 2.839 1.00 1.74 H new ATOM 0 HB ILE A 49 -15.827 -2.457 2.584 1.00 1.98 H new ATOM 0 HG12 ILE A 49 -13.369 -3.424 4.030 1.00 2.10 H new ATOM 0 HG13 ILE A 49 -13.453 -2.475 2.559 1.00 2.10 H new ATOM 0 HG21 ILE A 49 -16.155 -2.239 5.033 1.00 2.43 H new ATOM 0 HG22 ILE A 49 -17.196 -3.501 4.332 1.00 2.43 H new ATOM 0 HG23 ILE A 49 -15.728 -3.955 5.231 1.00 2.43 H new ATOM 0 HD11 ILE A 49 -12.848 -1.074 4.472 1.00 2.59 H new ATOM 0 HD12 ILE A 49 -14.430 -0.586 3.818 1.00 2.59 H new ATOM 0 HD13 ILE A 49 -14.344 -1.550 5.311 1.00 2.59 H new ATOM 338 N THR A 50 -13.921 -3.987 0.747 1.00 1.71 N ATOM 339 CA THR A 50 -13.618 -3.802 -0.663 1.00 1.95 C ATOM 340 C THR A 50 -13.775 -5.115 -1.421 1.00 1.90 C ATOM 341 O THR A 50 -14.521 -5.202 -2.401 1.00 2.37 O ATOM 342 CB THR A 50 -12.388 -3.361 -0.816 1.00 2.44 C ATOM 343 OG1 THR A 50 -12.023 -2.537 0.304 1.00 3.41 O ATOM 344 CG2 THR A 50 -12.242 -2.569 -2.105 1.00 2.45 C ATOM 0 H THR A 50 -13.110 -3.933 1.363 1.00 1.71 H new ATOM 0 HA THR A 50 -14.318 -3.068 -1.063 1.00 1.95 H new ATOM 0 HB THR A 50 -11.723 -4.223 -0.870 1.00 2.44 H new ATOM 0 HG1 THR A 50 -11.106 -2.213 0.186 1.00 3.41 H new ATOM 0 HG21 THR A 50 -11.215 -2.218 -2.202 1.00 2.45 H new ATOM 0 HG22 THR A 50 -12.490 -3.206 -2.954 1.00 2.45 H new ATOM 0 HG23 THR A 50 -12.917 -1.713 -2.085 1.00 2.45 H new ATOM 352 N GLY A 51 -13.081 -6.141 -0.949 1.00 1.87 N ATOM 353 CA GLY A 51 -13.173 -7.444 -1.569 1.00 2.32 C ATOM 354 C GLY A 51 -11.898 -7.834 -2.283 1.00 1.77 C ATOM 355 O GLY A 51 -11.936 -8.377 -3.382 1.00 2.08 O ATOM 0 H GLY A 51 -12.455 -6.092 -0.145 1.00 1.87 H new ATOM 0 HA2 GLY A 51 -13.403 -8.190 -0.808 1.00 2.32 H new ATOM 0 HA3 GLY A 51 -14.000 -7.448 -2.279 1.00 2.32 H new ATOM 359 N ARG A 52 -10.762 -7.513 -1.681 1.00 1.46 N ATOM 360 CA ARG A 52 -9.471 -7.914 -2.225 1.00 1.09 C ATOM 361 C ARG A 52 -8.751 -8.806 -1.225 1.00 1.03 C ATOM 362 O ARG A 52 -8.151 -8.318 -0.265 1.00 1.29 O ATOM 363 CB ARG A 52 -8.602 -6.696 -2.573 1.00 1.22 C ATOM 364 CG ARG A 52 -9.009 -5.979 -3.855 1.00 1.55 C ATOM 365 CD ARG A 52 -10.365 -5.312 -3.722 1.00 1.67 C ATOM 366 NE ARG A 52 -10.828 -4.730 -4.976 1.00 1.96 N ATOM 367 CZ ARG A 52 -11.867 -5.200 -5.670 1.00 2.47 C ATOM 368 NH1 ARG A 52 -12.457 -6.335 -5.303 1.00 2.72 N ATOM 369 NH2 ARG A 52 -12.306 -4.553 -6.741 1.00 3.14 N ATOM 0 H ARG A 52 -10.707 -6.976 -0.816 1.00 1.46 H new ATOM 0 HA ARG A 52 -9.647 -8.467 -3.148 1.00 1.09 H new ATOM 0 HB2 ARG A 52 -8.643 -5.987 -1.746 1.00 1.22 H new ATOM 0 HB3 ARG A 52 -7.565 -7.019 -2.665 1.00 1.22 H new ATOM 0 HG2 ARG A 52 -8.258 -5.229 -4.106 1.00 1.55 H new ATOM 0 HG3 ARG A 52 -9.034 -6.693 -4.678 1.00 1.55 H new ATOM 0 HD2 ARG A 52 -11.094 -6.044 -3.375 1.00 1.67 H new ATOM 0 HD3 ARG A 52 -10.310 -4.532 -2.962 1.00 1.67 H new ATOM 0 HE ARG A 52 -10.331 -3.919 -5.343 1.00 1.96 H new ATOM 0 HH11 ARG A 52 -12.115 -6.848 -4.490 1.00 2.72 H new ATOM 0 HH12 ARG A 52 -13.251 -6.692 -5.835 1.00 2.72 H new ATOM 0 HH21 ARG A 52 -11.849 -3.691 -7.039 1.00 3.14 H new ATOM 0 HH22 ARG A 52 -13.100 -4.917 -7.267 1.00 3.14 H new ATOM 383 N ASP A 53 -8.844 -10.113 -1.438 1.00 0.94 N ATOM 384 CA ASP A 53 -8.233 -11.088 -0.536 1.00 1.00 C ATOM 385 C ASP A 53 -6.712 -10.944 -0.541 1.00 0.89 C ATOM 386 O ASP A 53 -6.125 -10.511 -1.535 1.00 0.82 O ATOM 387 CB ASP A 53 -8.616 -12.517 -0.939 1.00 1.18 C ATOM 388 CG ASP A 53 -10.113 -12.757 -0.943 1.00 1.55 C ATOM 389 OD1 ASP A 53 -10.707 -12.872 0.146 1.00 1.90 O ATOM 390 OD2 ASP A 53 -10.697 -12.852 -2.045 1.00 2.10 O ATOM 0 H ASP A 53 -9.338 -10.525 -2.229 1.00 0.94 H new ATOM 0 HA ASP A 53 -8.606 -10.894 0.469 1.00 1.00 H new ATOM 0 HB2 ASP A 53 -8.219 -12.726 -1.932 1.00 1.18 H new ATOM 0 HB3 ASP A 53 -8.144 -13.220 -0.252 1.00 1.18 H new ATOM 395 N PRO A 54 -6.056 -11.323 0.569 1.00 1.02 N ATOM 396 CA PRO A 54 -4.599 -11.185 0.736 1.00 1.10 C ATOM 397 C PRO A 54 -3.784 -11.914 -0.334 1.00 1.03 C ATOM 398 O PRO A 54 -2.611 -11.613 -0.537 1.00 1.68 O ATOM 399 CB PRO A 54 -4.336 -11.806 2.112 1.00 1.35 C ATOM 400 CG PRO A 54 -5.638 -11.717 2.825 1.00 1.43 C ATOM 401 CD PRO A 54 -6.691 -11.893 1.771 1.00 1.25 C ATOM 0 HA PRO A 54 -4.295 -10.142 0.645 1.00 1.10 H new ATOM 0 HB2 PRO A 54 -4.004 -12.840 2.022 1.00 1.35 H new ATOM 0 HB3 PRO A 54 -3.555 -11.266 2.647 1.00 1.35 H new ATOM 0 HG2 PRO A 54 -5.718 -12.488 3.591 1.00 1.43 H new ATOM 0 HG3 PRO A 54 -5.744 -10.756 3.328 1.00 1.43 H new ATOM 0 HD2 PRO A 54 -6.951 -12.942 1.631 1.00 1.25 H new ATOM 0 HD3 PRO A 54 -7.611 -11.369 2.028 1.00 1.25 H new ATOM 409 N LYS A 55 -4.410 -12.861 -1.019 1.00 0.89 N ATOM 410 CA LYS A 55 -3.713 -13.676 -2.006 1.00 0.96 C ATOM 411 C LYS A 55 -4.116 -13.308 -3.433 1.00 0.82 C ATOM 412 O LYS A 55 -3.676 -13.943 -4.388 1.00 0.92 O ATOM 413 CB LYS A 55 -4.000 -15.156 -1.755 1.00 1.26 C ATOM 414 CG LYS A 55 -3.419 -15.682 -0.453 1.00 1.53 C ATOM 415 CD LYS A 55 -3.848 -17.117 -0.193 1.00 2.06 C ATOM 416 CE LYS A 55 -3.121 -17.710 1.003 1.00 2.89 C ATOM 417 NZ LYS A 55 -1.658 -17.842 0.755 1.00 3.61 N ATOM 0 H LYS A 55 -5.399 -13.084 -0.910 1.00 0.89 H new ATOM 0 HA LYS A 55 -2.646 -13.483 -1.900 1.00 0.96 H new ATOM 0 HB2 LYS A 55 -5.079 -15.311 -1.749 1.00 1.26 H new ATOM 0 HB3 LYS A 55 -3.598 -15.740 -2.583 1.00 1.26 H new ATOM 0 HG2 LYS A 55 -2.331 -15.627 -0.490 1.00 1.53 H new ATOM 0 HG3 LYS A 55 -3.742 -15.049 0.373 1.00 1.53 H new ATOM 0 HD2 LYS A 55 -4.923 -17.150 -0.019 1.00 2.06 H new ATOM 0 HD3 LYS A 55 -3.650 -17.723 -1.077 1.00 2.06 H new ATOM 0 HE2 LYS A 55 -3.286 -17.080 1.877 1.00 2.89 H new ATOM 0 HE3 LYS A 55 -3.540 -18.690 1.233 1.00 2.89 H new ATOM 0 HZ1 LYS A 55 -1.246 -18.497 1.450 1.00 3.61 H new ATOM 0 HZ2 LYS A 55 -1.500 -18.211 -0.205 1.00 3.61 H new ATOM 0 HZ3 LYS A 55 -1.205 -16.910 0.846 1.00 3.61 H new ATOM 431 N GLN A 56 -4.935 -12.275 -3.584 1.00 0.72 N ATOM 432 CA GLN A 56 -5.435 -11.896 -4.905 1.00 0.73 C ATOM 433 C GLN A 56 -4.516 -10.885 -5.579 1.00 0.63 C ATOM 434 O GLN A 56 -4.669 -10.588 -6.762 1.00 0.79 O ATOM 435 CB GLN A 56 -6.841 -11.307 -4.796 1.00 0.87 C ATOM 436 CG GLN A 56 -7.872 -12.268 -4.235 1.00 1.32 C ATOM 437 CD GLN A 56 -8.007 -13.535 -5.054 1.00 1.92 C ATOM 438 OE1 GLN A 56 -7.767 -13.540 -6.261 1.00 2.50 O ATOM 439 NE2 GLN A 56 -8.398 -14.618 -4.406 1.00 2.41 N ATOM 0 H GLN A 56 -5.266 -11.688 -2.818 1.00 0.72 H new ATOM 0 HA GLN A 56 -5.464 -12.800 -5.514 1.00 0.73 H new ATOM 0 HB2 GLN A 56 -6.804 -10.420 -4.163 1.00 0.87 H new ATOM 0 HB3 GLN A 56 -7.164 -10.980 -5.784 1.00 0.87 H new ATOM 0 HG2 GLN A 56 -7.598 -12.530 -3.213 1.00 1.32 H new ATOM 0 HG3 GLN A 56 -8.839 -11.768 -4.188 1.00 1.32 H new ATOM 0 HE21 GLN A 56 -8.587 -14.573 -3.405 1.00 2.41 H new ATOM 0 HE22 GLN A 56 -8.511 -15.499 -4.907 1.00 2.41 H new ATOM 448 N VAL A 57 -3.556 -10.373 -4.828 1.00 0.52 N ATOM 449 CA VAL A 57 -2.724 -9.271 -5.294 1.00 0.48 C ATOM 450 C VAL A 57 -1.276 -9.679 -5.534 1.00 0.55 C ATOM 451 O VAL A 57 -0.377 -8.850 -5.469 1.00 0.97 O ATOM 452 CB VAL A 57 -2.741 -8.269 -4.435 1.00 0.52 C ATOM 453 CG1 VAL A 57 -4.045 -7.493 -4.557 1.00 0.62 C ATOM 454 CG2 VAL A 57 -2.545 -8.767 -3.007 1.00 0.58 C ATOM 0 H VAL A 57 -3.331 -10.703 -3.889 1.00 0.52 H new ATOM 0 HA VAL A 57 -3.154 -8.961 -6.246 1.00 0.48 H new ATOM 0 HB VAL A 57 -1.913 -7.602 -4.673 1.00 0.52 H new ATOM 0 HG11 VAL A 57 -4.046 -6.669 -3.843 1.00 0.62 H new ATOM 0 HG12 VAL A 57 -4.140 -7.097 -5.568 1.00 0.62 H new ATOM 0 HG13 VAL A 57 -4.884 -8.156 -4.347 1.00 0.62 H new ATOM 0 HG21 VAL A 57 -2.563 -7.920 -2.321 1.00 0.58 H new ATOM 0 HG22 VAL A 57 -3.346 -9.460 -2.750 1.00 0.58 H new ATOM 0 HG23 VAL A 57 -1.585 -9.277 -2.928 1.00 0.58 H new ATOM 464 N ILE A 58 -1.042 -10.946 -5.815 1.00 0.51 N ATOM 465 CA ILE A 58 0.323 -11.420 -5.979 1.00 0.57 C ATOM 466 C ILE A 58 0.757 -11.290 -7.432 1.00 0.57 C ATOM 467 O ILE A 58 0.051 -11.733 -8.338 1.00 0.66 O ATOM 468 CB ILE A 58 0.459 -12.677 -5.572 1.00 0.70 C ATOM 469 CG1 ILE A 58 -0.090 -12.844 -4.152 1.00 0.93 C ATOM 470 CG2 ILE A 58 1.926 -13.106 -5.633 1.00 1.09 C ATOM 471 CD1 ILE A 58 -0.039 -14.268 -3.637 1.00 1.01 C ATOM 0 H ILE A 58 -1.764 -11.657 -5.933 1.00 0.51 H new ATOM 0 HA ILE A 58 0.965 -10.797 -5.356 1.00 0.57 H new ATOM 0 HB ILE A 58 -0.115 -13.318 -6.241 1.00 0.70 H new ATOM 0 HG12 ILE A 58 0.477 -12.203 -3.476 1.00 0.93 H new ATOM 0 HG13 ILE A 58 -1.123 -12.497 -4.129 1.00 0.93 H new ATOM 0 HG21 ILE A 58 2.017 -14.138 -5.296 1.00 1.09 H new ATOM 0 HG22 ILE A 58 2.286 -13.026 -6.659 1.00 1.09 H new ATOM 0 HG23 ILE A 58 2.521 -12.460 -4.988 1.00 1.09 H new ATOM 0 HD11 ILE A 58 -0.445 -14.304 -2.626 1.00 1.01 H new ATOM 0 HD12 ILE A 58 -0.630 -14.912 -4.289 1.00 1.01 H new ATOM 0 HD13 ILE A 58 0.995 -14.614 -3.625 1.00 1.01 H new ATOM 483 N GLY A 59 1.888 -10.626 -7.657 1.00 0.59 N ATOM 484 CA GLY A 59 2.333 -10.382 -9.010 1.00 0.66 C ATOM 485 C GLY A 59 1.604 -9.213 -9.610 1.00 0.56 C ATOM 486 O GLY A 59 1.721 -8.925 -10.802 1.00 0.65 O ATOM 0 H GLY A 59 2.498 -10.256 -6.928 1.00 0.59 H new ATOM 0 HA2 GLY A 59 3.406 -10.189 -9.015 1.00 0.66 H new ATOM 0 HA3 GLY A 59 2.166 -11.271 -9.618 1.00 0.66 H new ATOM 490 N LYS A 60 0.848 -8.538 -8.772 1.00 0.48 N ATOM 491 CA LYS A 60 0.002 -7.462 -9.212 1.00 0.45 C ATOM 492 C LYS A 60 0.574 -6.126 -8.787 1.00 0.38 C ATOM 493 O LYS A 60 1.082 -5.987 -7.678 1.00 0.43 O ATOM 494 CB LYS A 60 -1.395 -7.654 -8.641 1.00 0.49 C ATOM 495 CG LYS A 60 -2.306 -8.472 -9.537 1.00 0.80 C ATOM 496 CD LYS A 60 -3.726 -8.497 -9.006 1.00 1.12 C ATOM 497 CE LYS A 60 -4.656 -9.278 -9.918 1.00 1.27 C ATOM 498 NZ LYS A 60 -4.818 -8.634 -11.249 1.00 1.82 N ATOM 0 H LYS A 60 0.806 -8.723 -7.770 1.00 0.48 H new ATOM 0 HA LYS A 60 -0.052 -7.471 -10.301 1.00 0.45 H new ATOM 0 HB2 LYS A 60 -1.318 -8.143 -7.670 1.00 0.49 H new ATOM 0 HB3 LYS A 60 -1.847 -6.677 -8.471 1.00 0.49 H new ATOM 0 HG2 LYS A 60 -2.300 -8.054 -10.544 1.00 0.80 H new ATOM 0 HG3 LYS A 60 -1.926 -9.491 -9.612 1.00 0.80 H new ATOM 0 HD2 LYS A 60 -3.734 -8.942 -8.011 1.00 1.12 H new ATOM 0 HD3 LYS A 60 -4.093 -7.476 -8.901 1.00 1.12 H new ATOM 0 HE2 LYS A 60 -4.267 -10.287 -10.051 1.00 1.27 H new ATOM 0 HE3 LYS A 60 -5.632 -9.373 -9.442 1.00 1.27 H new ATOM 0 HZ1 LYS A 60 -5.827 -8.601 -11.498 1.00 1.82 H new ATOM 0 HZ2 LYS A 60 -4.438 -7.667 -11.215 1.00 1.82 H new ATOM 0 HZ3 LYS A 60 -4.303 -9.184 -11.966 1.00 1.82 H new ATOM 512 N ASN A 61 0.506 -5.157 -9.679 1.00 0.43 N ATOM 513 CA ASN A 61 0.988 -3.819 -9.379 1.00 0.42 C ATOM 514 C ASN A 61 -0.053 -3.067 -8.566 1.00 0.39 C ATOM 515 O ASN A 61 -1.150 -2.788 -9.053 1.00 0.42 O ATOM 516 CB ASN A 61 1.306 -3.045 -10.660 1.00 0.52 C ATOM 517 CG ASN A 61 1.885 -1.670 -10.372 1.00 0.58 C ATOM 518 OD1 ASN A 61 1.154 -0.704 -10.176 1.00 0.72 O ATOM 519 ND2 ASN A 61 3.203 -1.572 -10.345 1.00 0.71 N ATOM 0 H ASN A 61 0.122 -5.269 -10.617 1.00 0.43 H new ATOM 0 HA ASN A 61 1.907 -3.910 -8.801 1.00 0.42 H new ATOM 0 HB2 ASN A 61 2.013 -3.616 -11.261 1.00 0.52 H new ATOM 0 HB3 ASN A 61 0.397 -2.938 -11.253 1.00 0.52 H new ATOM 0 HD21 ASN A 61 3.644 -0.672 -10.157 1.00 0.71 H new ATOM 0 HD22 ASN A 61 3.779 -2.397 -10.513 1.00 0.71 H new ATOM 526 N PHE A 62 0.294 -2.755 -7.326 1.00 0.38 N ATOM 527 CA PHE A 62 -0.613 -2.064 -6.410 1.00 0.40 C ATOM 528 C PHE A 62 -1.101 -0.751 -6.998 1.00 0.47 C ATOM 529 O PHE A 62 -2.285 -0.434 -6.948 1.00 0.70 O ATOM 530 CB PHE A 62 0.099 -1.785 -5.079 1.00 0.43 C ATOM 531 CG PHE A 62 -0.770 -1.121 -4.044 1.00 0.45 C ATOM 532 CD1 PHE A 62 -0.812 0.261 -3.933 1.00 0.51 C ATOM 533 CD2 PHE A 62 -1.541 -1.879 -3.181 1.00 0.51 C ATOM 534 CE1 PHE A 62 -1.609 0.869 -2.984 1.00 0.55 C ATOM 535 CE2 PHE A 62 -2.339 -1.276 -2.229 1.00 0.56 C ATOM 536 CZ PHE A 62 -2.373 0.101 -2.130 1.00 0.53 C ATOM 0 H PHE A 62 1.206 -2.971 -6.924 1.00 0.38 H new ATOM 0 HA PHE A 62 -1.474 -2.712 -6.245 1.00 0.40 H new ATOM 0 HB2 PHE A 62 0.472 -2.726 -4.675 1.00 0.43 H new ATOM 0 HB3 PHE A 62 0.967 -1.153 -5.269 1.00 0.43 H new ATOM 0 HD1 PHE A 62 -0.214 0.868 -4.597 1.00 0.51 H new ATOM 0 HD2 PHE A 62 -1.518 -2.956 -3.253 1.00 0.51 H new ATOM 0 HE1 PHE A 62 -1.634 1.946 -2.910 1.00 0.55 H new ATOM 0 HE2 PHE A 62 -2.936 -1.881 -1.562 1.00 0.56 H new ATOM 0 HZ PHE A 62 -2.996 0.575 -1.386 1.00 0.53 H new ATOM 546 N PHE A 63 -0.180 -0.020 -7.594 1.00 0.46 N ATOM 547 CA PHE A 63 -0.406 1.369 -7.952 1.00 0.55 C ATOM 548 C PHE A 63 -1.192 1.512 -9.251 1.00 0.66 C ATOM 549 O PHE A 63 -1.571 2.618 -9.633 1.00 0.91 O ATOM 550 CB PHE A 63 0.940 2.082 -8.073 1.00 0.57 C ATOM 551 CG PHE A 63 1.844 1.846 -6.895 1.00 0.57 C ATOM 552 CD1 PHE A 63 2.832 0.872 -6.946 1.00 0.82 C ATOM 553 CD2 PHE A 63 1.701 2.588 -5.735 1.00 0.77 C ATOM 554 CE1 PHE A 63 3.658 0.646 -5.863 1.00 1.10 C ATOM 555 CE2 PHE A 63 2.527 2.366 -4.649 1.00 1.04 C ATOM 556 CZ PHE A 63 3.506 1.395 -4.712 1.00 1.16 C ATOM 0 H PHE A 63 0.745 -0.370 -7.844 1.00 0.46 H new ATOM 0 HA PHE A 63 -1.006 1.825 -7.164 1.00 0.55 H new ATOM 0 HB2 PHE A 63 1.441 1.746 -8.981 1.00 0.57 H new ATOM 0 HB3 PHE A 63 0.768 3.153 -8.182 1.00 0.57 H new ATOM 0 HD1 PHE A 63 2.956 0.284 -7.843 1.00 0.82 H new ATOM 0 HD2 PHE A 63 0.936 3.348 -5.678 1.00 0.77 H new ATOM 0 HE1 PHE A 63 4.422 -0.115 -5.916 1.00 1.10 H new ATOM 0 HE2 PHE A 63 2.406 2.953 -3.750 1.00 1.04 H new ATOM 0 HZ PHE A 63 4.152 1.221 -3.864 1.00 1.16 H new ATOM 566 N LYS A 64 -1.442 0.401 -9.926 1.00 0.57 N ATOM 567 CA LYS A 64 -2.121 0.445 -11.213 1.00 0.72 C ATOM 568 C LYS A 64 -3.216 -0.604 -11.328 1.00 0.72 C ATOM 569 O LYS A 64 -4.322 -0.303 -11.771 1.00 0.90 O ATOM 570 CB LYS A 64 -1.121 0.266 -12.353 1.00 0.82 C ATOM 571 CG LYS A 64 -0.180 1.445 -12.518 1.00 1.56 C ATOM 572 CD LYS A 64 0.727 1.261 -13.717 1.00 2.11 C ATOM 573 CE LYS A 64 1.588 2.488 -13.956 1.00 2.85 C ATOM 574 NZ LYS A 64 0.777 3.661 -14.373 1.00 3.58 N ATOM 0 H LYS A 64 -1.188 -0.535 -9.609 1.00 0.57 H new ATOM 0 HA LYS A 64 -2.591 1.426 -11.285 1.00 0.72 H new ATOM 0 HB2 LYS A 64 -0.535 -0.635 -12.174 1.00 0.82 H new ATOM 0 HB3 LYS A 64 -1.666 0.112 -13.284 1.00 0.82 H new ATOM 0 HG2 LYS A 64 -0.759 2.361 -12.634 1.00 1.56 H new ATOM 0 HG3 LYS A 64 0.423 1.561 -11.617 1.00 1.56 H new ATOM 0 HD2 LYS A 64 1.366 0.392 -13.561 1.00 2.11 H new ATOM 0 HD3 LYS A 64 0.125 1.060 -14.603 1.00 2.11 H new ATOM 0 HE2 LYS A 64 2.135 2.730 -13.045 1.00 2.85 H new ATOM 0 HE3 LYS A 64 2.329 2.267 -14.724 1.00 2.85 H new ATOM 0 HZ1 LYS A 64 1.222 4.116 -15.196 1.00 3.58 H new ATOM 0 HZ2 LYS A 64 -0.182 3.348 -14.627 1.00 3.58 H new ATOM 0 HZ3 LYS A 64 0.722 4.342 -13.589 1.00 3.58 H new ATOM 588 N ASP A 65 -2.923 -1.831 -10.923 1.00 0.60 N ATOM 589 CA ASP A 65 -3.835 -2.933 -11.197 1.00 0.69 C ATOM 590 C ASP A 65 -4.833 -3.139 -10.062 1.00 0.74 C ATOM 591 O ASP A 65 -5.919 -3.667 -10.281 1.00 1.10 O ATOM 592 CB ASP A 65 -3.042 -4.224 -11.436 1.00 0.79 C ATOM 593 CG ASP A 65 -3.877 -5.316 -12.081 1.00 1.38 C ATOM 594 OD1 ASP A 65 -3.801 -5.469 -13.320 1.00 1.50 O ATOM 595 OD2 ASP A 65 -4.599 -6.032 -11.360 1.00 2.20 O ATOM 0 H ASP A 65 -2.078 -2.087 -10.413 1.00 0.60 H new ATOM 0 HA ASP A 65 -4.400 -2.679 -12.094 1.00 0.69 H new ATOM 0 HB2 ASP A 65 -2.184 -4.006 -12.072 1.00 0.79 H new ATOM 0 HB3 ASP A 65 -2.650 -4.586 -10.485 1.00 0.79 H new ATOM 600 N VAL A 66 -4.494 -2.699 -8.850 1.00 0.70 N ATOM 601 CA VAL A 66 -5.401 -2.892 -7.719 1.00 0.82 C ATOM 602 C VAL A 66 -5.656 -1.570 -6.988 1.00 0.70 C ATOM 603 O VAL A 66 -6.198 -1.554 -5.881 1.00 0.80 O ATOM 604 CB VAL A 66 -4.935 -3.786 -6.840 1.00 1.05 C ATOM 605 CG1 VAL A 66 -6.083 -4.437 -6.075 1.00 1.45 C ATOM 606 CG2 VAL A 66 -4.066 -4.854 -7.493 1.00 1.77 C ATOM 0 H VAL A 66 -3.622 -2.219 -8.629 1.00 0.70 H new ATOM 0 HA VAL A 66 -6.333 -3.271 -8.138 1.00 0.82 H new ATOM 0 HB VAL A 66 -4.301 -3.238 -6.143 1.00 1.05 H new ATOM 0 HG11 VAL A 66 -5.683 -5.161 -5.365 1.00 1.45 H new ATOM 0 HG12 VAL A 66 -6.642 -3.672 -5.537 1.00 1.45 H new ATOM 0 HG13 VAL A 66 -6.746 -4.944 -6.776 1.00 1.45 H new ATOM 0 HG21 VAL A 66 -3.715 -5.552 -6.733 1.00 1.77 H new ATOM 0 HG22 VAL A 66 -4.650 -5.393 -8.239 1.00 1.77 H new ATOM 0 HG23 VAL A 66 -3.210 -4.382 -7.975 1.00 1.77 H new ATOM 616 N ALA A 67 -5.281 -0.464 -7.635 1.00 0.56 N ATOM 617 CA ALA A 67 -5.448 0.881 -7.069 1.00 0.53 C ATOM 618 C ALA A 67 -4.781 1.923 -7.960 1.00 0.49 C ATOM 619 O ALA A 67 -3.722 2.441 -7.627 1.00 0.61 O ATOM 620 CB ALA A 67 -4.861 0.972 -5.663 1.00 0.60 C ATOM 0 H ALA A 67 -4.855 -0.473 -8.562 1.00 0.56 H new ATOM 0 HA ALA A 67 -6.519 1.079 -7.013 1.00 0.53 H new ATOM 0 HB1 ALA A 67 -5.002 1.981 -5.274 1.00 0.60 H new ATOM 0 HB2 ALA A 67 -5.365 0.258 -5.011 1.00 0.60 H new ATOM 0 HB3 ALA A 67 -3.796 0.742 -5.698 1.00 0.60 H new ATOM 626 N PRO A 68 -5.390 2.253 -9.106 1.00 0.44 N ATOM 627 CA PRO A 68 -4.798 3.168 -10.090 1.00 0.47 C ATOM 628 C PRO A 68 -4.893 4.641 -9.694 1.00 0.55 C ATOM 629 O PRO A 68 -4.669 5.522 -10.524 1.00 0.81 O ATOM 630 CB PRO A 68 -5.616 2.913 -11.368 1.00 0.56 C ATOM 631 CG PRO A 68 -6.550 1.788 -11.048 1.00 0.69 C ATOM 632 CD PRO A 68 -6.689 1.758 -9.555 1.00 0.47 C ATOM 0 HA PRO A 68 -3.729 2.980 -10.196 1.00 0.47 H new ATOM 0 HB2 PRO A 68 -6.168 3.806 -11.662 1.00 0.56 H new ATOM 0 HB3 PRO A 68 -4.964 2.653 -12.202 1.00 0.56 H new ATOM 0 HG2 PRO A 68 -7.518 1.941 -11.524 1.00 0.69 H new ATOM 0 HG3 PRO A 68 -6.158 0.841 -11.420 1.00 0.69 H new ATOM 0 HD2 PRO A 68 -7.506 2.392 -9.211 1.00 0.47 H new ATOM 0 HD3 PRO A 68 -6.889 0.752 -9.186 1.00 0.47 H new ATOM 640 N CYS A 69 -5.221 4.920 -8.439 1.00 0.51 N ATOM 641 CA CYS A 69 -5.246 6.299 -7.977 1.00 0.61 C ATOM 642 C CYS A 69 -3.937 6.643 -7.267 1.00 0.59 C ATOM 643 O CYS A 69 -3.567 7.814 -7.195 1.00 0.81 O ATOM 644 CB CYS A 69 -6.452 6.582 -7.062 1.00 0.85 C ATOM 645 SG CYS A 69 -6.378 5.833 -5.396 1.00 0.81 S ATOM 0 H CYS A 69 -5.469 4.224 -7.736 1.00 0.51 H new ATOM 0 HA CYS A 69 -5.353 6.937 -8.854 1.00 0.61 H new ATOM 0 HB2 CYS A 69 -6.554 7.661 -6.950 1.00 0.85 H new ATOM 0 HB3 CYS A 69 -7.354 6.226 -7.560 1.00 0.85 H new ATOM 0 HG CYS A 69 -7.530 5.968 -4.808 1.00 0.81 H new ATOM 650 N THR A 70 -3.093 5.630 -7.095 1.00 0.61 N ATOM 651 CA THR A 70 -2.046 5.684 -6.089 1.00 0.58 C ATOM 652 C THR A 70 -0.692 6.034 -6.703 1.00 0.55 C ATOM 653 O THR A 70 0.141 6.664 -6.047 1.00 0.64 O ATOM 654 CB THR A 70 -1.940 4.538 -5.446 1.00 0.63 C ATOM 655 OG1 THR A 70 -1.714 3.472 -6.375 1.00 1.33 O ATOM 656 CG2 THR A 70 -3.176 4.249 -4.610 1.00 1.07 C ATOM 0 H THR A 70 -3.116 4.767 -7.638 1.00 0.61 H new ATOM 0 HA THR A 70 -2.331 6.468 -5.387 1.00 0.58 H new ATOM 0 HB THR A 70 -1.090 4.613 -4.768 1.00 0.63 H new ATOM 0 HG1 THR A 70 -2.546 2.972 -6.508 1.00 1.33 H new ATOM 0 HG21 THR A 70 -3.052 3.297 -4.095 1.00 1.07 H new ATOM 0 HG22 THR A 70 -3.313 5.043 -3.876 1.00 1.07 H new ATOM 0 HG23 THR A 70 -4.051 4.200 -5.259 1.00 1.07 H new ATOM 664 N ASP A 71 -0.479 5.670 -7.975 1.00 0.55 N ATOM 665 CA ASP A 71 0.805 5.934 -8.622 1.00 0.63 C ATOM 666 C ASP A 71 0.943 7.416 -8.991 1.00 0.70 C ATOM 667 O ASP A 71 0.750 7.836 -10.132 1.00 0.88 O ATOM 668 CB ASP A 71 1.043 5.013 -9.837 1.00 0.76 C ATOM 669 CG ASP A 71 0.148 5.290 -11.032 1.00 0.96 C ATOM 670 OD1 ASP A 71 -1.089 5.274 -10.885 1.00 1.85 O ATOM 671 OD2 ASP A 71 0.689 5.501 -12.139 1.00 1.34 O ATOM 0 H ASP A 71 -1.167 5.201 -8.564 1.00 0.55 H new ATOM 0 HA ASP A 71 1.587 5.701 -7.900 1.00 0.63 H new ATOM 0 HB2 ASP A 71 2.083 5.109 -10.150 1.00 0.76 H new ATOM 0 HB3 ASP A 71 0.898 3.979 -9.525 1.00 0.76 H new ATOM 676 N SER A 72 1.260 8.207 -7.981 1.00 0.66 N ATOM 677 CA SER A 72 1.430 9.644 -8.118 1.00 0.77 C ATOM 678 C SER A 72 2.407 10.131 -7.039 1.00 0.76 C ATOM 679 O SER A 72 2.755 9.361 -6.140 1.00 0.71 O ATOM 680 CB SER A 72 0.065 10.341 -8.014 1.00 0.88 C ATOM 681 OG SER A 72 -0.790 9.954 -9.082 1.00 1.56 O ATOM 0 H SER A 72 1.408 7.866 -7.031 1.00 0.66 H new ATOM 0 HA SER A 72 1.847 9.890 -9.095 1.00 0.77 H new ATOM 0 HB2 SER A 72 -0.402 10.092 -7.061 1.00 0.88 H new ATOM 0 HB3 SER A 72 0.203 11.422 -8.028 1.00 0.88 H new ATOM 0 HG SER A 72 -1.653 10.410 -8.992 1.00 1.56 H new ATOM 687 N PRO A 73 2.879 11.394 -7.112 1.00 0.90 N ATOM 688 CA PRO A 73 3.950 11.905 -6.232 1.00 0.99 C ATOM 689 C PRO A 73 3.610 11.909 -4.733 1.00 0.96 C ATOM 690 O PRO A 73 4.505 12.048 -3.897 1.00 1.05 O ATOM 691 CB PRO A 73 4.165 13.343 -6.724 1.00 1.13 C ATOM 692 CG PRO A 73 2.911 13.699 -7.438 1.00 1.17 C ATOM 693 CD PRO A 73 2.425 12.426 -8.062 1.00 1.05 C ATOM 0 HA PRO A 73 4.826 11.260 -6.296 1.00 0.99 H new ATOM 0 HB2 PRO A 73 4.351 14.021 -5.891 1.00 1.13 H new ATOM 0 HB3 PRO A 73 5.028 13.408 -7.387 1.00 1.13 H new ATOM 0 HG2 PRO A 73 2.170 14.105 -6.749 1.00 1.17 H new ATOM 0 HG3 PRO A 73 3.094 14.461 -8.195 1.00 1.17 H new ATOM 0 HD2 PRO A 73 1.341 12.421 -8.175 1.00 1.05 H new ATOM 0 HD3 PRO A 73 2.850 12.275 -9.054 1.00 1.05 H new ATOM 701 N GLU A 74 2.339 11.752 -4.381 1.00 0.91 N ATOM 702 CA GLU A 74 1.934 11.851 -2.979 1.00 0.96 C ATOM 703 C GLU A 74 1.915 10.479 -2.301 1.00 0.93 C ATOM 704 O GLU A 74 2.215 10.366 -1.114 1.00 1.25 O ATOM 705 CB GLU A 74 0.567 12.547 -2.839 1.00 1.07 C ATOM 706 CG GLU A 74 -0.630 11.717 -3.288 1.00 0.90 C ATOM 707 CD GLU A 74 -0.561 11.323 -4.745 1.00 1.59 C ATOM 708 OE1 GLU A 74 0.006 10.254 -5.042 1.00 2.56 O ATOM 709 OE2 GLU A 74 -1.045 12.093 -5.592 1.00 1.58 O ATOM 0 H GLU A 74 1.580 11.558 -5.034 1.00 0.91 H new ATOM 0 HA GLU A 74 2.679 12.464 -2.471 1.00 0.96 H new ATOM 0 HB2 GLU A 74 0.424 12.827 -1.795 1.00 1.07 H new ATOM 0 HB3 GLU A 74 0.586 13.471 -3.417 1.00 1.07 H new ATOM 0 HG2 GLU A 74 -0.691 10.817 -2.676 1.00 0.90 H new ATOM 0 HG3 GLU A 74 -1.544 12.284 -3.113 1.00 0.90 H new ATOM 716 N PHE A 75 1.558 9.443 -3.044 1.00 0.80 N ATOM 717 CA PHE A 75 1.557 8.092 -2.506 1.00 0.79 C ATOM 718 C PHE A 75 2.731 7.296 -3.063 1.00 0.66 C ATOM 719 O PHE A 75 3.680 6.984 -2.341 1.00 0.66 O ATOM 720 CB PHE A 75 0.236 7.386 -2.828 1.00 0.87 C ATOM 721 CG PHE A 75 0.112 6.016 -2.217 1.00 1.53 C ATOM 722 CD1 PHE A 75 0.466 4.886 -2.934 1.00 2.26 C ATOM 723 CD2 PHE A 75 -0.361 5.860 -0.923 1.00 1.74 C ATOM 724 CE1 PHE A 75 0.351 3.628 -2.373 1.00 3.20 C ATOM 725 CE2 PHE A 75 -0.478 4.606 -0.358 1.00 2.61 C ATOM 726 CZ PHE A 75 -0.121 3.488 -1.083 1.00 3.36 C ATOM 0 H PHE A 75 1.266 9.512 -4.019 1.00 0.80 H new ATOM 0 HA PHE A 75 1.661 8.154 -1.423 1.00 0.79 H new ATOM 0 HB2 PHE A 75 -0.590 8.005 -2.478 1.00 0.87 H new ATOM 0 HB3 PHE A 75 0.135 7.301 -3.910 1.00 0.87 H new ATOM 0 HD1 PHE A 75 0.836 4.989 -3.943 1.00 2.26 H new ATOM 0 HD2 PHE A 75 -0.642 6.731 -0.350 1.00 1.74 H new ATOM 0 HE1 PHE A 75 0.630 2.755 -2.944 1.00 3.20 H new ATOM 0 HE2 PHE A 75 -0.849 4.500 0.651 1.00 2.61 H new ATOM 0 HZ PHE A 75 -0.210 2.506 -0.643 1.00 3.36 H new ATOM 736 N TYR A 76 2.666 6.986 -4.352 1.00 0.59 N ATOM 737 CA TYR A 76 3.709 6.212 -5.015 1.00 0.50 C ATOM 738 C TYR A 76 5.047 6.936 -4.941 1.00 0.47 C ATOM 739 O TYR A 76 6.082 6.319 -4.698 1.00 0.49 O ATOM 740 CB TYR A 76 3.318 5.958 -6.474 1.00 0.51 C ATOM 741 CG TYR A 76 4.358 5.217 -7.290 1.00 0.49 C ATOM 742 CD1 TYR A 76 4.995 5.838 -8.355 1.00 0.58 C ATOM 743 CD2 TYR A 76 4.695 3.904 -7.001 1.00 0.51 C ATOM 744 CE1 TYR A 76 5.941 5.171 -9.107 1.00 0.66 C ATOM 745 CE2 TYR A 76 5.641 3.227 -7.747 1.00 0.59 C ATOM 746 CZ TYR A 76 6.260 3.866 -8.802 1.00 0.65 C ATOM 747 OH TYR A 76 7.208 3.202 -9.546 1.00 0.79 O ATOM 0 H TYR A 76 1.897 7.261 -4.963 1.00 0.59 H new ATOM 0 HA TYR A 76 3.814 5.255 -4.503 1.00 0.50 H new ATOM 0 HB2 TYR A 76 2.389 5.389 -6.493 1.00 0.51 H new ATOM 0 HB3 TYR A 76 3.115 6.916 -6.953 1.00 0.51 H new ATOM 0 HD1 TYR A 76 4.746 6.860 -8.600 1.00 0.58 H new ATOM 0 HD2 TYR A 76 4.209 3.401 -6.178 1.00 0.51 H new ATOM 0 HE1 TYR A 76 6.429 5.670 -9.931 1.00 0.66 H new ATOM 0 HE2 TYR A 76 5.894 2.205 -7.506 1.00 0.59 H new ATOM 0 HH TYR A 76 7.316 2.291 -9.200 1.00 0.79 H new ATOM 757 N GLY A 77 5.011 8.249 -5.136 1.00 0.48 N ATOM 758 CA GLY A 77 6.218 9.049 -5.086 1.00 0.50 C ATOM 759 C GLY A 77 6.951 8.905 -3.769 1.00 0.52 C ATOM 760 O GLY A 77 8.149 8.640 -3.752 1.00 0.60 O ATOM 0 H GLY A 77 4.160 8.776 -5.329 1.00 0.48 H new ATOM 0 HA2 GLY A 77 6.879 8.755 -5.901 1.00 0.50 H new ATOM 0 HA3 GLY A 77 5.963 10.097 -5.244 1.00 0.50 H new ATOM 764 N LYS A 78 6.224 9.042 -2.664 1.00 0.53 N ATOM 765 CA LYS A 78 6.825 8.963 -1.337 1.00 0.60 C ATOM 766 C LYS A 78 7.321 7.548 -1.057 1.00 0.59 C ATOM 767 O LYS A 78 8.366 7.358 -0.434 1.00 0.66 O ATOM 768 CB LYS A 78 5.823 9.397 -0.267 1.00 0.69 C ATOM 769 CG LYS A 78 5.251 10.787 -0.504 1.00 0.77 C ATOM 770 CD LYS A 78 6.338 11.848 -0.539 1.00 1.17 C ATOM 771 CE LYS A 78 5.785 13.199 -0.967 1.00 1.41 C ATOM 772 NZ LYS A 78 4.807 13.746 0.011 1.00 2.09 N ATOM 0 H LYS A 78 5.218 9.208 -2.661 1.00 0.53 H new ATOM 0 HA LYS A 78 7.678 9.641 -1.307 1.00 0.60 H new ATOM 0 HB2 LYS A 78 5.006 8.677 -0.232 1.00 0.69 H new ATOM 0 HB3 LYS A 78 6.310 9.374 0.708 1.00 0.69 H new ATOM 0 HG2 LYS A 78 4.702 10.798 -1.446 1.00 0.77 H new ATOM 0 HG3 LYS A 78 4.537 11.025 0.284 1.00 0.77 H new ATOM 0 HD2 LYS A 78 6.794 11.936 0.447 1.00 1.17 H new ATOM 0 HD3 LYS A 78 7.125 11.541 -1.228 1.00 1.17 H new ATOM 0 HE2 LYS A 78 6.608 13.904 -1.087 1.00 1.41 H new ATOM 0 HE3 LYS A 78 5.305 13.100 -1.941 1.00 1.41 H new ATOM 0 HZ1 LYS A 78 4.484 14.682 -0.307 1.00 2.09 H new ATOM 0 HZ2 LYS A 78 3.992 13.104 0.082 1.00 2.09 H new ATOM 0 HZ3 LYS A 78 5.260 13.835 0.943 1.00 2.09 H new ATOM 786 N PHE A 79 6.563 6.564 -1.530 1.00 0.52 N ATOM 787 CA PHE A 79 6.970 5.163 -1.449 1.00 0.50 C ATOM 788 C PHE A 79 8.311 4.960 -2.149 1.00 0.51 C ATOM 789 O PHE A 79 9.186 4.250 -1.658 1.00 0.56 O ATOM 790 CB PHE A 79 5.885 4.274 -2.083 1.00 0.48 C ATOM 791 CG PHE A 79 6.245 2.815 -2.171 1.00 0.51 C ATOM 792 CD1 PHE A 79 5.835 1.915 -1.195 1.00 0.62 C ATOM 793 CD2 PHE A 79 6.998 2.344 -3.235 1.00 0.53 C ATOM 794 CE1 PHE A 79 6.173 0.583 -1.284 1.00 0.67 C ATOM 795 CE2 PHE A 79 7.336 1.013 -3.326 1.00 0.61 C ATOM 796 CZ PHE A 79 6.925 0.133 -2.350 1.00 0.65 C ATOM 0 H PHE A 79 5.658 6.711 -1.976 1.00 0.52 H new ATOM 0 HA PHE A 79 7.088 4.882 -0.402 1.00 0.50 H new ATOM 0 HB2 PHE A 79 4.967 4.374 -1.504 1.00 0.48 H new ATOM 0 HB3 PHE A 79 5.671 4.643 -3.086 1.00 0.48 H new ATOM 0 HD1 PHE A 79 5.246 2.263 -0.359 1.00 0.62 H new ATOM 0 HD2 PHE A 79 7.324 3.030 -4.003 1.00 0.53 H new ATOM 0 HE1 PHE A 79 5.850 -0.109 -0.520 1.00 0.67 H new ATOM 0 HE2 PHE A 79 7.922 0.659 -4.161 1.00 0.61 H new ATOM 0 HZ PHE A 79 7.192 -0.911 -2.419 1.00 0.65 H new ATOM 806 N LYS A 80 8.470 5.614 -3.284 1.00 0.51 N ATOM 807 CA LYS A 80 9.659 5.449 -4.105 1.00 0.58 C ATOM 808 C LYS A 80 10.847 6.229 -3.561 1.00 0.63 C ATOM 809 O LYS A 80 11.989 5.931 -3.906 1.00 0.66 O ATOM 810 CB LYS A 80 9.379 5.878 -5.547 1.00 0.64 C ATOM 811 CG LYS A 80 8.375 4.989 -6.258 1.00 0.69 C ATOM 812 CD LYS A 80 8.834 3.540 -6.285 1.00 0.72 C ATOM 813 CE LYS A 80 10.081 3.357 -7.140 1.00 0.93 C ATOM 814 NZ LYS A 80 9.829 3.643 -8.581 1.00 1.09 N ATOM 0 H LYS A 80 7.786 6.270 -3.662 1.00 0.51 H new ATOM 0 HA LYS A 80 9.916 4.390 -4.081 1.00 0.58 H new ATOM 0 HB2 LYS A 80 9.009 6.903 -5.548 1.00 0.64 H new ATOM 0 HB3 LYS A 80 10.314 5.876 -6.107 1.00 0.64 H new ATOM 0 HG2 LYS A 80 7.409 5.056 -5.757 1.00 0.69 H new ATOM 0 HG3 LYS A 80 8.231 5.345 -7.278 1.00 0.69 H new ATOM 0 HD2 LYS A 80 9.038 3.205 -5.268 1.00 0.72 H new ATOM 0 HD3 LYS A 80 8.032 2.912 -6.673 1.00 0.72 H new ATOM 0 HE2 LYS A 80 10.869 4.015 -6.774 1.00 0.93 H new ATOM 0 HE3 LYS A 80 10.445 2.335 -7.033 1.00 0.93 H new ATOM 0 HZ1 LYS A 80 10.439 3.038 -9.167 1.00 1.09 H new ATOM 0 HZ2 LYS A 80 8.832 3.449 -8.804 1.00 1.09 H new ATOM 0 HZ3 LYS A 80 10.040 4.642 -8.779 1.00 1.09 H new ATOM 828 N GLU A 81 10.593 7.212 -2.703 1.00 0.67 N ATOM 829 CA GLU A 81 11.670 8.060 -2.203 1.00 0.78 C ATOM 830 C GLU A 81 12.636 7.260 -1.338 1.00 0.67 C ATOM 831 O GLU A 81 13.851 7.439 -1.423 1.00 0.70 O ATOM 832 CB GLU A 81 11.125 9.261 -1.428 1.00 0.94 C ATOM 833 CG GLU A 81 10.277 10.187 -2.279 1.00 1.25 C ATOM 834 CD GLU A 81 10.130 11.569 -1.681 1.00 1.57 C ATOM 835 OE1 GLU A 81 10.384 12.556 -2.400 1.00 2.07 O ATOM 836 OE2 GLU A 81 9.783 11.678 -0.488 1.00 2.04 O ATOM 0 H GLU A 81 9.666 7.439 -2.344 1.00 0.67 H new ATOM 0 HA GLU A 81 12.214 8.440 -3.068 1.00 0.78 H new ATOM 0 HB2 GLU A 81 10.530 8.903 -0.588 1.00 0.94 H new ATOM 0 HB3 GLU A 81 11.959 9.824 -1.010 1.00 0.94 H new ATOM 0 HG2 GLU A 81 10.723 10.271 -3.270 1.00 1.25 H new ATOM 0 HG3 GLU A 81 9.289 9.747 -2.411 1.00 1.25 H new ATOM 843 N GLY A 82 12.097 6.363 -0.524 1.00 0.62 N ATOM 844 CA GLY A 82 12.942 5.512 0.292 1.00 0.62 C ATOM 845 C GLY A 82 13.692 4.505 -0.552 1.00 0.62 C ATOM 846 O GLY A 82 14.878 4.263 -0.339 1.00 0.72 O ATOM 0 H GLY A 82 11.095 6.209 -0.414 1.00 0.62 H new ATOM 0 HA2 GLY A 82 13.653 6.126 0.846 1.00 0.62 H new ATOM 0 HA3 GLY A 82 12.331 4.989 1.028 1.00 0.62 H new ATOM 850 N VAL A 83 12.986 3.931 -1.520 1.00 0.58 N ATOM 851 CA VAL A 83 13.575 2.995 -2.473 1.00 0.66 C ATOM 852 C VAL A 83 14.743 3.644 -3.215 1.00 0.73 C ATOM 853 O VAL A 83 15.851 3.105 -3.246 1.00 0.85 O ATOM 854 CB VAL A 83 12.673 2.596 -3.362 1.00 0.68 C ATOM 855 CG1 VAL A 83 13.244 1.513 -4.272 1.00 0.83 C ATOM 856 CG2 VAL A 83 11.400 2.112 -2.681 1.00 0.65 C ATOM 0 H VAL A 83 11.991 4.100 -1.667 1.00 0.58 H new ATOM 0 HA VAL A 83 13.933 2.134 -1.908 1.00 0.66 H new ATOM 0 HB VAL A 83 12.415 3.457 -3.978 1.00 0.68 H new ATOM 0 HG11 VAL A 83 12.485 1.204 -4.991 1.00 0.83 H new ATOM 0 HG12 VAL A 83 14.110 1.905 -4.805 1.00 0.83 H new ATOM 0 HG13 VAL A 83 13.546 0.655 -3.671 1.00 0.83 H new ATOM 0 HG21 VAL A 83 10.682 1.793 -3.436 1.00 0.65 H new ATOM 0 HG22 VAL A 83 11.634 1.273 -2.025 1.00 0.65 H new ATOM 0 HG23 VAL A 83 10.971 2.923 -2.093 1.00 0.65 H new ATOM 866 N ALA A 84 14.488 4.824 -3.777 1.00 0.70 N ATOM 867 CA ALA A 84 15.491 5.560 -4.539 1.00 0.81 C ATOM 868 C ALA A 84 16.700 5.919 -3.681 1.00 0.92 C ATOM 869 O ALA A 84 17.809 6.079 -4.189 1.00 1.14 O ATOM 870 CB ALA A 84 14.877 6.817 -5.134 1.00 0.85 C ATOM 0 H ALA A 84 13.585 5.294 -3.717 1.00 0.70 H new ATOM 0 HA ALA A 84 15.838 4.912 -5.344 1.00 0.81 H new ATOM 0 HB1 ALA A 84 15.634 7.359 -5.701 1.00 0.85 H new ATOM 0 HB2 ALA A 84 14.056 6.543 -5.796 1.00 0.85 H new ATOM 0 HB3 ALA A 84 14.500 7.452 -4.332 1.00 0.85 H new ATOM 876 N SER A 85 16.481 6.043 -2.381 1.00 0.92 N ATOM 877 CA SER A 85 17.561 6.347 -1.459 1.00 1.12 C ATOM 878 C SER A 85 18.296 5.063 -1.065 1.00 1.16 C ATOM 879 O SER A 85 19.371 4.764 -1.589 1.00 1.40 O ATOM 880 CB SER A 85 17.009 7.057 -0.222 1.00 1.38 C ATOM 881 OG SER A 85 16.256 8.208 -0.585 1.00 1.82 O ATOM 0 H SER A 85 15.566 5.938 -1.942 1.00 0.92 H new ATOM 0 HA SER A 85 18.272 7.012 -1.950 1.00 1.12 H new ATOM 0 HB2 SER A 85 16.380 6.371 0.344 1.00 1.38 H new ATOM 0 HB3 SER A 85 17.832 7.348 0.431 1.00 1.38 H new ATOM 0 HG SER A 85 15.301 7.987 -0.588 1.00 1.82 H new ATOM 887 N GLY A 86 17.700 4.299 -0.163 1.00 1.12 N ATOM 888 CA GLY A 86 18.298 3.058 0.276 1.00 1.47 C ATOM 889 C GLY A 86 17.311 2.219 1.047 1.00 1.35 C ATOM 890 O GLY A 86 16.871 1.164 0.587 1.00 1.65 O ATOM 0 H GLY A 86 16.806 4.519 0.275 1.00 1.12 H new ATOM 0 HA2 GLY A 86 18.657 2.499 -0.588 1.00 1.47 H new ATOM 0 HA3 GLY A 86 19.165 3.270 0.901 1.00 1.47 H new ATOM 894 N ASN A 87 16.956 2.701 2.225 1.00 1.30 N ATOM 895 CA ASN A 87 15.956 2.052 3.054 1.00 1.28 C ATOM 896 C ASN A 87 14.676 2.872 3.041 1.00 0.81 C ATOM 897 O ASN A 87 14.711 4.084 2.830 1.00 1.19 O ATOM 898 CB ASN A 87 16.470 1.868 4.488 1.00 1.94 C ATOM 899 CG ASN A 87 16.855 3.176 5.160 1.00 2.79 C ATOM 900 OD1 ASN A 87 16.044 3.808 5.836 1.00 3.50 O ATOM 901 ND2 ASN A 87 18.103 3.585 4.986 1.00 3.16 N ATOM 0 H ASN A 87 17.350 3.549 2.632 1.00 1.30 H new ATOM 0 HA ASN A 87 15.748 1.062 2.648 1.00 1.28 H new ATOM 0 HB2 ASN A 87 15.701 1.375 5.082 1.00 1.94 H new ATOM 0 HB3 ASN A 87 17.336 1.206 4.474 1.00 1.94 H new ATOM 0 HD21 ASN A 87 18.421 4.452 5.420 1.00 3.16 H new ATOM 0 HD22 ASN A 87 18.746 3.033 4.418 1.00 3.16 H new ATOM 908 N LEU A 88 13.550 2.215 3.259 1.00 0.61 N ATOM 909 CA LEU A 88 12.268 2.876 3.176 1.00 0.75 C ATOM 910 C LEU A 88 11.571 2.821 4.519 1.00 0.56 C ATOM 911 O LEU A 88 11.433 1.753 5.110 1.00 1.00 O ATOM 912 CB LEU A 88 11.397 2.229 2.096 1.00 1.61 C ATOM 913 CG LEU A 88 9.986 2.806 1.960 1.00 2.22 C ATOM 914 CD1 LEU A 88 10.034 4.285 1.620 1.00 2.96 C ATOM 915 CD2 LEU A 88 9.202 2.046 0.905 1.00 2.90 C ATOM 0 H LEU A 88 13.502 1.224 3.495 1.00 0.61 H new ATOM 0 HA LEU A 88 12.430 3.919 2.904 1.00 0.75 H new ATOM 0 HB2 LEU A 88 11.905 2.326 1.137 1.00 1.61 H new ATOM 0 HB3 LEU A 88 11.317 1.163 2.308 1.00 1.61 H new ATOM 0 HG LEU A 88 9.481 2.694 2.919 1.00 2.22 H new ATOM 0 HD11 LEU A 88 9.019 4.671 1.529 1.00 2.96 H new ATOM 0 HD12 LEU A 88 10.557 4.823 2.410 1.00 2.96 H new ATOM 0 HD13 LEU A 88 10.561 4.424 0.676 1.00 2.96 H new ATOM 0 HD21 LEU A 88 8.201 2.469 0.821 1.00 2.90 H new ATOM 0 HD22 LEU A 88 9.712 2.126 -0.055 1.00 2.90 H new ATOM 0 HD23 LEU A 88 9.130 0.997 1.191 1.00 2.90 H new ATOM 927 N ASN A 89 11.168 3.977 5.009 1.00 0.54 N ATOM 928 CA ASN A 89 10.429 4.074 6.254 1.00 0.47 C ATOM 929 C ASN A 89 9.817 5.459 6.382 1.00 0.59 C ATOM 930 O ASN A 89 10.453 6.413 6.829 1.00 0.97 O ATOM 931 CB ASN A 89 11.298 3.710 7.473 1.00 0.50 C ATOM 932 CG ASN A 89 12.482 4.643 7.731 1.00 1.31 C ATOM 933 OD1 ASN A 89 13.097 5.158 6.676 1.00 2.24 O flip ATOM 934 ND2 ASN A 89 12.856 4.876 8.883 1.00 1.82 N flip ATOM 0 H ASN A 89 11.343 4.874 4.557 1.00 0.54 H new ATOM 0 HA ASN A 89 9.622 3.342 6.233 1.00 0.47 H new ATOM 0 HB2 ASN A 89 10.665 3.699 8.360 1.00 0.50 H new ATOM 0 HB3 ASN A 89 11.677 2.697 7.339 1.00 0.50 H new ATOM 0 HD21 ASN A 89 12.360 4.464 9.673 1.00 1.82 H new ATOM 0 HD22 ASN A 89 13.661 5.481 9.045 1.00 1.82 H new ATOM 941 N THR A 90 8.576 5.557 5.950 1.00 0.51 N ATOM 942 CA THR A 90 7.885 6.828 5.885 1.00 0.61 C ATOM 943 C THR A 90 6.438 6.653 6.340 1.00 0.53 C ATOM 944 O THR A 90 5.901 5.547 6.307 1.00 0.51 O ATOM 945 CB THR A 90 7.912 7.312 4.645 1.00 0.75 C ATOM 946 OG1 THR A 90 9.220 7.122 4.076 1.00 1.63 O ATOM 947 CG2 THR A 90 7.559 8.793 4.596 1.00 1.39 C ATOM 0 H THR A 90 8.020 4.761 5.635 1.00 0.51 H new ATOM 0 HA THR A 90 8.390 7.533 6.545 1.00 0.61 H new ATOM 0 HB THR A 90 7.162 6.768 4.070 1.00 0.75 H new ATOM 0 HG1 THR A 90 9.235 7.478 3.163 1.00 1.63 H new ATOM 0 HG21 THR A 90 7.595 9.142 3.564 1.00 1.39 H new ATOM 0 HG22 THR A 90 6.555 8.941 4.995 1.00 1.39 H new ATOM 0 HG23 THR A 90 8.274 9.357 5.194 1.00 1.39 H new ATOM 955 N MET A 91 5.845 7.717 6.844 1.00 0.55 N ATOM 956 CA MET A 91 4.437 7.707 7.200 1.00 0.51 C ATOM 957 C MET A 91 3.775 8.999 6.753 1.00 0.57 C ATOM 958 O MET A 91 4.040 10.065 7.306 1.00 0.75 O ATOM 959 CB MET A 91 4.254 7.526 8.706 1.00 0.60 C ATOM 960 CG MET A 91 2.795 7.494 9.137 1.00 1.14 C ATOM 961 SD MET A 91 2.599 7.317 10.922 1.00 1.61 S ATOM 962 CE MET A 91 3.346 8.844 11.498 1.00 1.77 C ATOM 0 H MET A 91 6.318 8.604 7.017 1.00 0.55 H new ATOM 0 HA MET A 91 3.966 6.866 6.692 1.00 0.51 H new ATOM 0 HB2 MET A 91 4.737 6.599 9.015 1.00 0.60 H new ATOM 0 HB3 MET A 91 4.761 8.338 9.227 1.00 0.60 H new ATOM 0 HG2 MET A 91 2.304 8.411 8.811 1.00 1.14 H new ATOM 0 HG3 MET A 91 2.291 6.667 8.637 1.00 1.14 H new ATOM 0 HE1 MET A 91 2.741 9.265 12.301 1.00 1.77 H new ATOM 0 HE2 MET A 91 4.350 8.640 11.869 1.00 1.77 H new ATOM 0 HE3 MET A 91 3.401 9.555 10.674 1.00 1.77 H new ATOM 972 N PHE A 92 2.937 8.910 5.735 1.00 0.49 N ATOM 973 CA PHE A 92 2.211 10.084 5.254 1.00 0.55 C ATOM 974 C PHE A 92 0.708 9.834 5.271 1.00 0.48 C ATOM 975 O PHE A 92 0.270 8.701 5.434 1.00 0.47 O ATOM 976 CB PHE A 92 2.673 10.488 3.850 1.00 0.72 C ATOM 977 CG PHE A 92 2.439 9.444 2.796 1.00 1.04 C ATOM 978 CD1 PHE A 92 1.214 9.347 2.155 1.00 1.25 C ATOM 979 CD2 PHE A 92 3.447 8.565 2.442 1.00 1.83 C ATOM 980 CE1 PHE A 92 1.000 8.393 1.184 1.00 2.19 C ATOM 981 CE2 PHE A 92 3.237 7.609 1.471 1.00 2.86 C ATOM 982 CZ PHE A 92 2.013 7.523 0.840 1.00 3.01 C ATOM 0 H PHE A 92 2.740 8.048 5.226 1.00 0.49 H new ATOM 0 HA PHE A 92 2.432 10.910 5.930 1.00 0.55 H new ATOM 0 HB2 PHE A 92 2.156 11.402 3.560 1.00 0.72 H new ATOM 0 HB3 PHE A 92 3.737 10.721 3.884 1.00 0.72 H new ATOM 0 HD1 PHE A 92 0.418 10.027 2.420 1.00 1.25 H new ATOM 0 HD2 PHE A 92 4.408 8.628 2.931 1.00 1.83 H new ATOM 0 HE1 PHE A 92 0.040 8.327 0.693 1.00 2.19 H new ATOM 0 HE2 PHE A 92 4.031 6.927 1.204 1.00 2.86 H new ATOM 0 HZ PHE A 92 1.849 6.776 0.078 1.00 3.01 H new ATOM 992 N GLU A 93 -0.075 10.890 5.110 1.00 0.48 N ATOM 993 CA GLU A 93 -1.526 10.768 5.097 1.00 0.47 C ATOM 994 C GLU A 93 -2.034 10.846 3.660 1.00 0.45 C ATOM 995 O GLU A 93 -1.616 11.717 2.888 1.00 0.53 O ATOM 996 CB GLU A 93 -2.146 11.868 5.969 1.00 0.58 C ATOM 997 CG GLU A 93 -3.652 11.758 6.156 1.00 1.30 C ATOM 998 CD GLU A 93 -4.436 12.566 5.141 1.00 1.73 C ATOM 999 OE1 GLU A 93 -5.071 11.969 4.249 1.00 2.39 O ATOM 1000 OE2 GLU A 93 -4.437 13.808 5.244 1.00 2.04 O ATOM 0 H GLU A 93 0.270 11.842 4.986 1.00 0.48 H new ATOM 0 HA GLU A 93 -1.820 9.803 5.510 1.00 0.47 H new ATOM 0 HB2 GLU A 93 -1.669 11.848 6.949 1.00 0.58 H new ATOM 0 HB3 GLU A 93 -1.919 12.837 5.524 1.00 0.58 H new ATOM 0 HG2 GLU A 93 -3.946 10.711 6.084 1.00 1.30 H new ATOM 0 HG3 GLU A 93 -3.913 12.094 7.159 1.00 1.30 H new ATOM 1007 N TYR A 94 -2.914 9.921 3.303 1.00 0.44 N ATOM 1008 CA TYR A 94 -3.384 9.793 1.932 1.00 0.51 C ATOM 1009 C TYR A 94 -4.857 9.386 1.903 1.00 0.42 C ATOM 1010 O TYR A 94 -5.349 8.720 2.816 1.00 0.40 O ATOM 1011 CB TYR A 94 -2.522 8.762 1.189 1.00 0.69 C ATOM 1012 CG TYR A 94 -2.894 8.562 -0.266 1.00 1.24 C ATOM 1013 CD1 TYR A 94 -3.367 7.337 -0.720 1.00 2.16 C ATOM 1014 CD2 TYR A 94 -2.768 9.596 -1.185 1.00 1.19 C ATOM 1015 CE1 TYR A 94 -3.701 7.149 -2.049 1.00 2.86 C ATOM 1016 CE2 TYR A 94 -3.103 9.415 -2.514 1.00 1.83 C ATOM 1017 CZ TYR A 94 -3.567 8.191 -2.940 1.00 2.64 C ATOM 1018 OH TYR A 94 -3.896 8.010 -4.262 1.00 3.37 O ATOM 0 H TYR A 94 -3.319 9.244 3.950 1.00 0.44 H new ATOM 0 HA TYR A 94 -3.294 10.758 1.433 1.00 0.51 H new ATOM 0 HB2 TYR A 94 -1.479 9.072 1.245 1.00 0.69 H new ATOM 0 HB3 TYR A 94 -2.598 7.805 1.705 1.00 0.69 H new ATOM 0 HD1 TYR A 94 -3.476 6.518 -0.024 1.00 2.16 H new ATOM 0 HD2 TYR A 94 -2.402 10.557 -0.856 1.00 1.19 H new ATOM 0 HE1 TYR A 94 -4.065 6.190 -2.387 1.00 2.86 H new ATOM 0 HE2 TYR A 94 -3.001 10.230 -3.215 1.00 1.83 H new ATOM 0 HH TYR A 94 -4.596 7.328 -4.334 1.00 3.37 H new ATOM 1028 N THR A 95 -5.560 9.794 0.855 1.00 0.46 N ATOM 1029 CA THR A 95 -6.966 9.470 0.706 1.00 0.46 C ATOM 1030 C THR A 95 -7.163 8.375 -0.344 1.00 0.47 C ATOM 1031 O THR A 95 -6.434 8.320 -1.332 1.00 0.60 O ATOM 1032 CB THR A 95 -7.649 10.548 0.359 1.00 0.59 C ATOM 1033 OG1 THR A 95 -7.245 11.650 1.190 1.00 1.40 O ATOM 1034 CG2 THR A 95 -9.154 10.345 0.479 1.00 1.09 C ATOM 0 H THR A 95 -5.174 10.353 0.094 1.00 0.46 H new ATOM 0 HA THR A 95 -7.333 9.104 1.665 1.00 0.46 H new ATOM 0 HB THR A 95 -7.432 10.756 -0.689 1.00 0.59 H new ATOM 0 HG1 THR A 95 -7.747 12.452 0.936 1.00 1.40 H new ATOM 0 HG21 THR A 95 -9.669 11.259 0.183 1.00 1.09 H new ATOM 0 HG22 THR A 95 -9.464 9.527 -0.171 1.00 1.09 H new ATOM 0 HG23 THR A 95 -9.407 10.104 1.511 1.00 1.09 H new ATOM 1042 N PHE A 96 -8.092 7.463 -0.085 1.00 0.43 N ATOM 1043 CA PHE A 96 -8.441 6.423 -1.045 1.00 0.53 C ATOM 1044 C PHE A 96 -9.773 6.751 -1.699 1.00 0.62 C ATOM 1045 O PHE A 96 -10.792 6.895 -1.019 1.00 0.78 O ATOM 1046 CB PHE A 96 -8.519 5.052 -0.367 1.00 0.69 C ATOM 1047 CG PHE A 96 -7.178 4.480 0.000 1.00 0.74 C ATOM 1048 CD1 PHE A 96 -6.141 4.464 -0.922 1.00 0.69 C ATOM 1049 CD2 PHE A 96 -6.958 3.945 1.259 1.00 1.03 C ATOM 1050 CE1 PHE A 96 -4.912 3.927 -0.593 1.00 0.82 C ATOM 1051 CE2 PHE A 96 -5.730 3.409 1.593 1.00 1.18 C ATOM 1052 CZ PHE A 96 -4.705 3.399 0.667 1.00 1.03 C ATOM 0 H PHE A 96 -8.620 7.423 0.787 1.00 0.43 H new ATOM 0 HA PHE A 96 -7.661 6.384 -1.806 1.00 0.53 H new ATOM 0 HB2 PHE A 96 -9.127 5.137 0.534 1.00 0.69 H new ATOM 0 HB3 PHE A 96 -9.031 4.356 -1.032 1.00 0.69 H new ATOM 0 HD1 PHE A 96 -6.297 4.876 -1.908 1.00 0.69 H new ATOM 0 HD2 PHE A 96 -7.756 3.947 1.987 1.00 1.03 H new ATOM 0 HE1 PHE A 96 -4.113 3.920 -1.320 1.00 0.82 H new ATOM 0 HE2 PHE A 96 -5.571 2.997 2.579 1.00 1.18 H new ATOM 0 HZ PHE A 96 -3.744 2.980 0.927 1.00 1.03 H new ATOM 1062 N ASP A 97 -9.748 6.880 -3.015 1.00 0.66 N ATOM 1063 CA ASP A 97 -10.936 7.199 -3.789 1.00 0.88 C ATOM 1064 C ASP A 97 -10.894 6.454 -5.116 1.00 0.95 C ATOM 1065 O ASP A 97 -10.256 5.406 -5.206 1.00 1.74 O ATOM 1066 CB ASP A 97 -11.045 8.715 -4.015 1.00 1.17 C ATOM 1067 CG ASP A 97 -9.856 9.309 -4.748 1.00 1.83 C ATOM 1068 OD1 ASP A 97 -9.857 9.304 -5.996 1.00 2.18 O ATOM 1069 OD2 ASP A 97 -8.928 9.814 -4.080 1.00 2.57 O ATOM 0 H ASP A 97 -8.904 6.767 -3.577 1.00 0.66 H new ATOM 0 HA ASP A 97 -11.819 6.882 -3.234 1.00 0.88 H new ATOM 0 HB2 ASP A 97 -11.952 8.925 -4.582 1.00 1.17 H new ATOM 0 HB3 ASP A 97 -11.151 9.211 -3.050 1.00 1.17 H new ATOM 1074 N TYR A 98 -11.616 6.966 -6.118 1.00 1.21 N ATOM 1075 CA TYR A 98 -11.640 6.386 -7.472 1.00 1.30 C ATOM 1076 C TYR A 98 -12.449 5.083 -7.518 1.00 1.26 C ATOM 1077 O TYR A 98 -12.989 4.709 -8.558 1.00 2.02 O ATOM 1078 CB TYR A 98 -10.201 6.161 -7.976 1.00 1.57 C ATOM 1079 CG TYR A 98 -10.087 5.324 -9.231 1.00 1.79 C ATOM 1080 CD1 TYR A 98 -9.806 3.966 -9.155 1.00 1.70 C ATOM 1081 CD2 TYR A 98 -10.257 5.889 -10.489 1.00 2.36 C ATOM 1082 CE1 TYR A 98 -9.696 3.196 -10.294 1.00 2.13 C ATOM 1083 CE2 TYR A 98 -10.147 5.123 -11.634 1.00 2.79 C ATOM 1084 CZ TYR A 98 -9.868 3.776 -11.529 1.00 2.67 C ATOM 1085 OH TYR A 98 -9.752 3.005 -12.663 1.00 3.21 O ATOM 0 H TYR A 98 -12.202 7.795 -6.017 1.00 1.21 H new ATOM 0 HA TYR A 98 -12.138 7.094 -8.134 1.00 1.30 H new ATOM 0 HB2 TYR A 98 -9.741 7.132 -8.162 1.00 1.57 H new ATOM 0 HB3 TYR A 98 -9.625 5.682 -7.184 1.00 1.57 H new ATOM 0 HD1 TYR A 98 -9.671 3.505 -8.188 1.00 1.70 H new ATOM 0 HD2 TYR A 98 -10.478 6.943 -10.573 1.00 2.36 H new ATOM 0 HE1 TYR A 98 -9.476 2.142 -10.216 1.00 2.13 H new ATOM 0 HE2 TYR A 98 -10.279 5.576 -12.605 1.00 2.79 H new ATOM 0 HH TYR A 98 -9.902 3.563 -13.455 1.00 3.21 H new ATOM 1095 N GLN A 99 -12.552 4.420 -6.382 1.00 1.11 N ATOM 1096 CA GLN A 99 -13.322 3.189 -6.260 1.00 1.70 C ATOM 1097 C GLN A 99 -13.684 2.964 -4.800 1.00 1.80 C ATOM 1098 O GLN A 99 -14.776 2.496 -4.480 1.00 2.28 O ATOM 1099 CB GLN A 99 -12.543 1.993 -6.820 1.00 2.11 C ATOM 1100 CG GLN A 99 -11.152 1.820 -6.232 1.00 2.28 C ATOM 1101 CD GLN A 99 -10.420 0.639 -6.835 1.00 2.65 C ATOM 1102 OE1 GLN A 99 -10.511 -0.480 -6.339 1.00 3.23 O ATOM 1103 NE2 GLN A 99 -9.700 0.877 -7.917 1.00 2.81 N ATOM 0 H GLN A 99 -12.105 4.717 -5.515 1.00 1.11 H new ATOM 0 HA GLN A 99 -14.237 3.284 -6.845 1.00 1.70 H new ATOM 0 HB2 GLN A 99 -13.117 1.084 -6.639 1.00 2.11 H new ATOM 0 HB3 GLN A 99 -12.456 2.105 -7.901 1.00 2.11 H new ATOM 0 HG2 GLN A 99 -10.573 2.728 -6.399 1.00 2.28 H new ATOM 0 HG3 GLN A 99 -11.229 1.685 -5.153 1.00 2.28 H new ATOM 0 HE21 GLN A 99 -9.650 1.822 -8.299 1.00 2.81 H new ATOM 0 HE22 GLN A 99 -9.194 0.116 -8.371 1.00 2.81 H new ATOM 1112 N MET A 100 -12.747 3.294 -3.923 1.00 1.50 N ATOM 1113 CA MET A 100 -13.015 3.345 -2.498 1.00 1.55 C ATOM 1114 C MET A 100 -13.740 4.642 -2.181 1.00 1.40 C ATOM 1115 O MET A 100 -13.481 5.670 -2.815 1.00 1.30 O ATOM 1116 CB MET A 100 -11.705 3.265 -1.701 1.00 1.54 C ATOM 1117 CG MET A 100 -11.894 3.351 -0.193 1.00 1.64 C ATOM 1118 SD MET A 100 -12.971 2.059 0.459 1.00 2.37 S ATOM 1119 CE MET A 100 -11.966 0.610 0.161 1.00 2.85 C ATOM 0 H MET A 100 -11.789 3.532 -4.179 1.00 1.50 H new ATOM 0 HA MET A 100 -13.637 2.495 -2.216 1.00 1.55 H new ATOM 0 HB2 MET A 100 -11.202 2.329 -1.941 1.00 1.54 H new ATOM 0 HB3 MET A 100 -11.046 4.072 -2.021 1.00 1.54 H new ATOM 0 HG2 MET A 100 -10.921 3.285 0.294 1.00 1.64 H new ATOM 0 HG3 MET A 100 -12.311 4.326 0.060 1.00 1.64 H new ATOM 0 HE1 MET A 100 -12.032 -0.061 1.018 1.00 2.85 H new ATOM 0 HE2 MET A 100 -12.324 0.096 -0.731 1.00 2.85 H new ATOM 0 HE3 MET A 100 -10.929 0.911 0.014 1.00 2.85 H new ATOM 1129 N THR A 101 -14.670 4.598 -1.243 1.00 1.46 N ATOM 1130 CA THR A 101 -15.283 5.813 -0.759 1.00 1.40 C ATOM 1131 C THR A 101 -14.232 6.614 -0.005 1.00 1.14 C ATOM 1132 O THR A 101 -13.274 6.023 0.489 1.00 1.13 O ATOM 1133 CB THR A 101 -16.322 5.560 0.013 1.00 1.54 C ATOM 1134 OG1 THR A 101 -15.998 4.513 0.945 1.00 2.12 O ATOM 1135 CG2 THR A 101 -17.533 5.160 -0.815 1.00 2.05 C ATOM 0 H THR A 101 -15.012 3.741 -0.808 1.00 1.46 H new ATOM 0 HA THR A 101 -15.655 6.389 -1.607 1.00 1.40 H new ATOM 0 HB THR A 101 -16.568 6.469 0.562 1.00 1.54 H new ATOM 0 HG1 THR A 101 -16.774 4.332 1.516 1.00 2.12 H new ATOM 0 HG21 THR A 101 -18.375 4.957 -0.153 1.00 2.05 H new ATOM 0 HG22 THR A 101 -17.793 5.971 -1.495 1.00 2.05 H new ATOM 0 HG23 THR A 101 -17.300 4.264 -1.391 1.00 2.05 H new ATOM 1143 N PRO A 102 -14.345 7.958 0.031 1.00 1.13 N ATOM 1144 CA PRO A 102 -13.299 8.835 0.577 1.00 1.00 C ATOM 1145 C PRO A 102 -12.783 8.402 1.946 1.00 0.92 C ATOM 1146 O PRO A 102 -13.289 8.826 2.986 1.00 1.15 O ATOM 1147 CB PRO A 102 -13.987 10.194 0.660 1.00 1.32 C ATOM 1148 CG PRO A 102 -15.005 10.154 -0.419 1.00 1.47 C ATOM 1149 CD PRO A 102 -15.493 8.734 -0.472 1.00 1.44 C ATOM 0 HA PRO A 102 -12.408 8.824 -0.050 1.00 1.00 H new ATOM 0 HB2 PRO A 102 -14.447 10.348 1.636 1.00 1.32 H new ATOM 0 HB3 PRO A 102 -13.279 11.009 0.509 1.00 1.32 H new ATOM 0 HG2 PRO A 102 -15.825 10.841 -0.208 1.00 1.47 H new ATOM 0 HG3 PRO A 102 -14.574 10.455 -1.374 1.00 1.47 H new ATOM 0 HD2 PRO A 102 -16.378 8.590 0.148 1.00 1.44 H new ATOM 0 HD3 PRO A 102 -15.763 8.440 -1.486 1.00 1.44 H new ATOM 1157 N THR A 103 -11.787 7.530 1.929 1.00 0.73 N ATOM 1158 CA THR A 103 -11.162 7.063 3.143 1.00 0.70 C ATOM 1159 C THR A 103 -9.847 7.791 3.377 1.00 0.58 C ATOM 1160 O THR A 103 -9.022 7.900 2.472 1.00 0.54 O ATOM 1161 CB THR A 103 -10.951 5.758 3.088 1.00 0.81 C ATOM 1162 OG1 THR A 103 -12.199 5.081 2.888 1.00 1.34 O ATOM 1163 CG2 THR A 103 -10.289 5.230 4.350 1.00 1.40 C ATOM 0 H THR A 103 -11.396 7.132 1.075 1.00 0.73 H new ATOM 0 HA THR A 103 -11.835 7.273 3.974 1.00 0.70 H new ATOM 0 HB THR A 103 -10.275 5.568 2.254 1.00 0.81 H new ATOM 0 HG1 THR A 103 -12.538 5.278 1.990 1.00 1.34 H new ATOM 0 HG21 THR A 103 -10.136 4.155 4.258 1.00 1.40 H new ATOM 0 HG22 THR A 103 -9.327 5.723 4.490 1.00 1.40 H new ATOM 0 HG23 THR A 103 -10.929 5.433 5.209 1.00 1.40 H new ATOM 1171 N LYS A 104 -9.674 8.315 4.581 1.00 0.60 N ATOM 1172 CA LYS A 104 -8.448 8.998 4.942 1.00 0.59 C ATOM 1173 C LYS A 104 -7.602 8.091 5.816 1.00 0.58 C ATOM 1174 O LYS A 104 -8.002 7.725 6.923 1.00 0.75 O ATOM 1175 CB LYS A 104 -8.759 10.304 5.674 1.00 0.75 C ATOM 1176 CG LYS A 104 -7.527 11.014 6.215 1.00 1.45 C ATOM 1177 CD LYS A 104 -7.871 12.391 6.759 1.00 1.90 C ATOM 1178 CE LYS A 104 -8.352 13.316 5.654 1.00 2.46 C ATOM 1179 NZ LYS A 104 -7.282 13.599 4.659 1.00 3.08 N ATOM 0 H LYS A 104 -10.371 8.278 5.324 1.00 0.60 H new ATOM 0 HA LYS A 104 -7.894 9.240 4.035 1.00 0.59 H new ATOM 0 HB2 LYS A 104 -9.284 10.975 4.994 1.00 0.75 H new ATOM 0 HB3 LYS A 104 -9.438 10.093 6.501 1.00 0.75 H new ATOM 0 HG2 LYS A 104 -7.076 10.412 7.004 1.00 1.45 H new ATOM 0 HG3 LYS A 104 -6.784 11.110 5.423 1.00 1.45 H new ATOM 0 HD2 LYS A 104 -8.644 12.300 7.522 1.00 1.90 H new ATOM 0 HD3 LYS A 104 -6.995 12.823 7.242 1.00 1.90 H new ATOM 0 HE2 LYS A 104 -9.206 12.865 5.149 1.00 2.46 H new ATOM 0 HE3 LYS A 104 -8.698 14.253 6.090 1.00 2.46 H new ATOM 0 HZ1 LYS A 104 -7.647 14.247 3.932 1.00 3.08 H new ATOM 0 HZ2 LYS A 104 -6.470 14.038 5.138 1.00 3.08 H new ATOM 0 HZ3 LYS A 104 -6.981 12.710 4.211 1.00 3.08 H new ATOM 1193 N VAL A 105 -6.452 7.703 5.297 1.00 0.45 N ATOM 1194 CA VAL A 105 -5.568 6.796 6.004 1.00 0.47 C ATOM 1195 C VAL A 105 -4.167 7.368 6.109 1.00 0.40 C ATOM 1196 O VAL A 105 -3.828 8.355 5.454 1.00 0.37 O ATOM 1197 CB VAL A 105 -5.496 5.605 5.423 1.00 0.54 C ATOM 1198 CG1 VAL A 105 -6.840 4.890 5.478 1.00 1.33 C ATOM 1199 CG2 VAL A 105 -4.999 5.714 3.989 1.00 0.94 C ATOM 0 H VAL A 105 -6.108 8.003 4.385 1.00 0.45 H new ATOM 0 HA VAL A 105 -5.996 6.674 6.999 1.00 0.47 H new ATOM 0 HB VAL A 105 -4.771 5.011 5.980 1.00 0.54 H new ATOM 0 HG11 VAL A 105 -6.754 3.917 4.995 1.00 1.33 H new ATOM 0 HG12 VAL A 105 -7.138 4.754 6.518 1.00 1.33 H new ATOM 0 HG13 VAL A 105 -7.591 5.487 4.960 1.00 1.33 H new ATOM 0 HG21 VAL A 105 -4.952 4.720 3.544 1.00 0.94 H new ATOM 0 HG22 VAL A 105 -5.683 6.338 3.413 1.00 0.94 H new ATOM 0 HG23 VAL A 105 -4.005 6.162 3.981 1.00 0.94 H new ATOM 1209 N LYS A 106 -3.374 6.768 6.970 1.00 0.43 N ATOM 1210 CA LYS A 106 -1.980 7.104 7.084 1.00 0.42 C ATOM 1211 C LYS A 106 -1.163 5.904 6.672 1.00 0.40 C ATOM 1212 O LYS A 106 -1.376 4.794 7.162 1.00 0.47 O ATOM 1213 CB LYS A 106 -1.639 7.544 8.505 1.00 0.48 C ATOM 1214 CG LYS A 106 -2.445 8.747 8.954 1.00 0.71 C ATOM 1215 CD LYS A 106 -1.952 9.294 10.277 1.00 0.83 C ATOM 1216 CE LYS A 106 -2.811 10.459 10.736 1.00 1.56 C ATOM 1217 NZ LYS A 106 -2.283 11.078 11.979 1.00 1.69 N ATOM 0 H LYS A 106 -3.682 6.034 7.608 1.00 0.43 H new ATOM 0 HA LYS A 106 -1.749 7.943 6.428 1.00 0.42 H new ATOM 0 HB2 LYS A 106 -1.818 6.716 9.190 1.00 0.48 H new ATOM 0 HB3 LYS A 106 -0.577 7.781 8.562 1.00 0.48 H new ATOM 0 HG2 LYS A 106 -2.387 9.527 8.195 1.00 0.71 H new ATOM 0 HG3 LYS A 106 -3.495 8.468 9.045 1.00 0.71 H new ATOM 0 HD2 LYS A 106 -1.969 8.506 11.030 1.00 0.83 H new ATOM 0 HD3 LYS A 106 -0.916 9.618 10.178 1.00 0.83 H new ATOM 0 HE2 LYS A 106 -2.857 11.210 9.947 1.00 1.56 H new ATOM 0 HE3 LYS A 106 -3.831 10.114 10.907 1.00 1.56 H new ATOM 0 HZ1 LYS A 106 -2.896 11.869 12.260 1.00 1.69 H new ATOM 0 HZ2 LYS A 106 -2.263 10.368 12.739 1.00 1.69 H new ATOM 0 HZ3 LYS A 106 -1.319 11.430 11.809 1.00 1.69 H new ATOM 1231 N VAL A 107 -0.245 6.132 5.765 1.00 0.37 N ATOM 1232 CA VAL A 107 0.490 5.078 5.130 1.00 0.42 C ATOM 1233 C VAL A 107 1.891 5.027 5.710 1.00 0.40 C ATOM 1234 O VAL A 107 2.738 5.868 5.404 1.00 0.54 O ATOM 1235 CB VAL A 107 0.536 5.299 3.823 1.00 0.46 C ATOM 1236 CG1 VAL A 107 1.381 4.255 3.107 1.00 1.26 C ATOM 1237 CG2 VAL A 107 -0.864 5.352 3.227 1.00 1.27 C ATOM 0 H VAL A 107 0.012 7.066 5.447 1.00 0.37 H new ATOM 0 HA VAL A 107 -0.001 4.121 5.306 1.00 0.42 H new ATOM 0 HB VAL A 107 1.010 6.270 3.676 1.00 0.46 H new ATOM 0 HG11 VAL A 107 1.395 4.469 2.038 1.00 1.26 H new ATOM 0 HG12 VAL A 107 2.399 4.282 3.496 1.00 1.26 H new ATOM 0 HG13 VAL A 107 0.955 3.266 3.273 1.00 1.26 H new ATOM 0 HG21 VAL A 107 -0.796 5.534 2.155 1.00 1.27 H new ATOM 0 HG22 VAL A 107 -1.370 4.403 3.402 1.00 1.27 H new ATOM 0 HG23 VAL A 107 -1.429 6.157 3.697 1.00 1.27 H new ATOM 1247 N HIS A 108 2.126 4.046 6.561 1.00 0.34 N ATOM 1248 CA HIS A 108 3.432 3.866 7.157 1.00 0.34 C ATOM 1249 C HIS A 108 4.134 2.709 6.477 1.00 0.32 C ATOM 1250 O HIS A 108 3.813 1.547 6.709 1.00 0.44 O ATOM 1251 CB HIS A 108 3.321 3.615 8.666 1.00 0.45 C ATOM 1252 CG HIS A 108 4.649 3.442 9.345 1.00 0.53 C ATOM 1253 ND1 HIS A 108 4.875 2.507 10.331 1.00 0.97 N ATOM 1254 CD2 HIS A 108 5.823 4.096 9.173 1.00 0.54 C ATOM 1255 CE1 HIS A 108 6.130 2.591 10.736 1.00 1.02 C ATOM 1256 NE2 HIS A 108 6.726 3.549 10.049 1.00 0.68 N ATOM 0 H HIS A 108 1.428 3.362 6.854 1.00 0.34 H new ATOM 0 HA HIS A 108 4.013 4.778 7.017 1.00 0.34 H new ATOM 0 HB2 HIS A 108 2.792 4.449 9.127 1.00 0.45 H new ATOM 0 HB3 HIS A 108 2.717 2.723 8.834 1.00 0.45 H new ATOM 0 HD2 HIS A 108 6.013 4.899 8.476 1.00 0.54 H new ATOM 0 HE1 HIS A 108 6.590 1.980 11.499 1.00 1.02 H new ATOM 0 HE2 HIS A 108 7.699 3.835 10.153 1.00 0.68 H new ATOM 1265 N MET A 109 5.082 3.042 5.629 1.00 0.30 N ATOM 1266 CA MET A 109 5.821 2.039 4.885 1.00 0.39 C ATOM 1267 C MET A 109 7.208 1.863 5.491 1.00 0.34 C ATOM 1268 O MET A 109 7.800 2.826 5.976 1.00 0.45 O ATOM 1269 CB MET A 109 5.910 2.427 3.400 1.00 0.65 C ATOM 1270 CG MET A 109 6.744 3.666 3.111 1.00 0.87 C ATOM 1271 SD MET A 109 5.740 5.153 2.999 1.00 2.22 S ATOM 1272 CE MET A 109 4.706 4.721 1.602 1.00 2.49 C ATOM 0 H MET A 109 5.362 4.003 5.435 1.00 0.30 H new ATOM 0 HA MET A 109 5.294 1.087 4.949 1.00 0.39 H new ATOM 0 HB2 MET A 109 6.328 1.588 2.845 1.00 0.65 H new ATOM 0 HB3 MET A 109 4.901 2.589 3.021 1.00 0.65 H new ATOM 0 HG2 MET A 109 7.489 3.791 3.897 1.00 0.87 H new ATOM 0 HG3 MET A 109 7.287 3.526 2.176 1.00 0.87 H new ATOM 0 HE1 MET A 109 4.979 5.335 0.744 1.00 2.49 H new ATOM 0 HE2 MET A 109 4.848 3.669 1.356 1.00 2.49 H new ATOM 0 HE3 MET A 109 3.660 4.896 1.855 1.00 2.49 H new ATOM 1282 N LYS A 110 7.704 0.631 5.493 1.00 0.32 N ATOM 1283 CA LYS A 110 8.983 0.309 6.117 1.00 0.35 C ATOM 1284 C LYS A 110 9.576 -0.924 5.451 1.00 0.32 C ATOM 1285 O LYS A 110 8.847 -1.738 4.917 1.00 0.45 O ATOM 1286 CB LYS A 110 8.796 0.075 7.618 1.00 0.50 C ATOM 1287 CG LYS A 110 7.728 -0.956 7.941 1.00 0.97 C ATOM 1288 CD LYS A 110 7.454 -1.029 9.432 1.00 0.91 C ATOM 1289 CE LYS A 110 8.643 -1.582 10.200 1.00 1.31 C ATOM 1290 NZ LYS A 110 8.339 -1.744 11.644 1.00 1.57 N ATOM 0 H LYS A 110 7.235 -0.168 5.066 1.00 0.32 H new ATOM 0 HA LYS A 110 9.669 1.146 5.987 1.00 0.35 H new ATOM 0 HB2 LYS A 110 9.744 -0.248 8.048 1.00 0.50 H new ATOM 0 HB3 LYS A 110 8.535 1.019 8.095 1.00 0.50 H new ATOM 0 HG2 LYS A 110 6.808 -0.705 7.413 1.00 0.97 H new ATOM 0 HG3 LYS A 110 8.045 -1.935 7.581 1.00 0.97 H new ATOM 0 HD2 LYS A 110 7.211 -0.034 9.806 1.00 0.91 H new ATOM 0 HD3 LYS A 110 6.582 -1.658 9.611 1.00 0.91 H new ATOM 0 HE2 LYS A 110 8.932 -2.545 9.779 1.00 1.31 H new ATOM 0 HE3 LYS A 110 9.496 -0.914 10.081 1.00 1.31 H new ATOM 0 HZ1 LYS A 110 9.174 -2.123 12.134 1.00 1.57 H new ATOM 0 HZ2 LYS A 110 8.088 -0.821 12.052 1.00 1.57 H new ATOM 0 HZ3 LYS A 110 7.542 -2.402 11.759 1.00 1.57 H new ATOM 1304 N LYS A 111 10.888 -1.067 5.488 1.00 0.37 N ATOM 1305 CA LYS A 111 11.561 -2.111 4.724 1.00 0.38 C ATOM 1306 C LYS A 111 11.447 -3.470 5.410 1.00 0.43 C ATOM 1307 O LYS A 111 11.546 -3.570 6.633 1.00 0.60 O ATOM 1308 CB LYS A 111 13.036 -1.743 4.538 1.00 0.49 C ATOM 1309 CG LYS A 111 13.707 -2.477 3.391 1.00 0.56 C ATOM 1310 CD LYS A 111 15.222 -2.297 3.389 1.00 1.03 C ATOM 1311 CE LYS A 111 15.909 -3.143 4.457 1.00 1.49 C ATOM 1312 NZ LYS A 111 15.778 -2.566 5.824 1.00 2.13 N ATOM 0 H LYS A 111 11.512 -0.476 6.037 1.00 0.37 H new ATOM 0 HA LYS A 111 11.074 -2.186 3.752 1.00 0.38 H new ATOM 0 HB2 LYS A 111 13.115 -0.669 4.367 1.00 0.49 H new ATOM 0 HB3 LYS A 111 13.575 -1.959 5.461 1.00 0.49 H new ATOM 0 HG2 LYS A 111 13.471 -3.539 3.456 1.00 0.56 H new ATOM 0 HG3 LYS A 111 13.300 -2.117 2.446 1.00 0.56 H new ATOM 0 HD2 LYS A 111 15.616 -2.564 2.408 1.00 1.03 H new ATOM 0 HD3 LYS A 111 15.461 -1.246 3.553 1.00 1.03 H new ATOM 0 HE2 LYS A 111 15.483 -4.146 4.449 1.00 1.49 H new ATOM 0 HE3 LYS A 111 16.966 -3.244 4.210 1.00 1.49 H new ATOM 0 HZ1 LYS A 111 16.645 -2.756 6.366 1.00 2.13 H new ATOM 0 HZ2 LYS A 111 15.631 -1.539 5.755 1.00 2.13 H new ATOM 0 HZ3 LYS A 111 14.966 -3.000 6.308 1.00 2.13 H new ATOM 1326 N ALA A 112 11.245 -4.509 4.611 1.00 0.44 N ATOM 1327 CA ALA A 112 11.155 -5.869 5.115 1.00 0.59 C ATOM 1328 C ALA A 112 12.339 -6.694 4.628 1.00 0.92 C ATOM 1329 O ALA A 112 13.092 -6.253 3.757 1.00 1.57 O ATOM 1330 CB ALA A 112 9.854 -6.511 4.665 1.00 0.96 C ATOM 0 H ALA A 112 11.140 -4.432 3.599 1.00 0.44 H new ATOM 0 HA ALA A 112 11.174 -5.837 6.204 1.00 0.59 H new ATOM 0 HB1 ALA A 112 9.799 -7.530 5.049 1.00 0.96 H new ATOM 0 HB2 ALA A 112 9.012 -5.933 5.047 1.00 0.96 H new ATOM 0 HB3 ALA A 112 9.816 -6.532 3.576 1.00 0.96 H new ATOM 1336 N LEU A 113 12.503 -7.883 5.190 1.00 1.01 N ATOM 1337 CA LEU A 113 13.563 -8.784 4.762 1.00 1.49 C ATOM 1338 C LEU A 113 13.080 -10.237 4.713 1.00 1.26 C ATOM 1339 O LEU A 113 13.809 -11.121 4.261 1.00 2.05 O ATOM 1340 CB LEU A 113 14.851 -8.630 5.610 1.00 2.52 C ATOM 1341 CG LEU A 113 14.742 -8.602 7.157 1.00 3.38 C ATOM 1342 CD1 LEU A 113 14.128 -7.301 7.661 1.00 3.91 C ATOM 1343 CD2 LEU A 113 13.973 -9.802 7.697 1.00 4.41 C ATOM 0 H LEU A 113 11.917 -8.246 5.942 1.00 1.01 H new ATOM 0 HA LEU A 113 13.830 -8.495 3.745 1.00 1.49 H new ATOM 0 HB2 LEU A 113 15.519 -9.449 5.343 1.00 2.52 H new ATOM 0 HB3 LEU A 113 15.340 -7.707 5.299 1.00 2.52 H new ATOM 0 HG LEU A 113 15.762 -8.661 7.538 1.00 3.38 H new ATOM 0 HD11 LEU A 113 14.070 -7.324 8.749 1.00 3.91 H new ATOM 0 HD12 LEU A 113 14.748 -6.461 7.348 1.00 3.91 H new ATOM 0 HD13 LEU A 113 13.126 -7.187 7.247 1.00 3.91 H new ATOM 0 HD21 LEU A 113 13.921 -9.742 8.784 1.00 4.41 H new ATOM 0 HD22 LEU A 113 12.964 -9.803 7.285 1.00 4.41 H new ATOM 0 HD23 LEU A 113 14.483 -10.721 7.409 1.00 4.41 H new ATOM 1355 N SER A 114 11.852 -10.476 5.176 1.00 1.21 N ATOM 1356 CA SER A 114 11.208 -11.777 4.999 1.00 1.56 C ATOM 1357 C SER A 114 11.054 -12.060 3.512 1.00 1.72 C ATOM 1358 O SER A 114 11.228 -13.186 3.039 1.00 2.36 O ATOM 1359 CB SER A 114 9.841 -11.782 5.686 1.00 2.13 C ATOM 1360 OG SER A 114 9.147 -10.568 5.445 1.00 2.55 O ATOM 0 H SER A 114 11.286 -9.789 5.674 1.00 1.21 H new ATOM 0 HA SER A 114 11.824 -12.555 5.451 1.00 1.56 H new ATOM 0 HB2 SER A 114 9.250 -12.622 5.321 1.00 2.13 H new ATOM 0 HB3 SER A 114 9.970 -11.925 6.759 1.00 2.13 H new ATOM 0 HG SER A 114 8.276 -10.595 5.892 1.00 2.55 H new ATOM 1366 N GLY A 115 10.713 -11.008 2.796 1.00 1.73 N ATOM 1367 CA GLY A 115 10.714 -11.025 1.358 1.00 2.05 C ATOM 1368 C GLY A 115 11.229 -9.702 0.859 1.00 1.87 C ATOM 1369 O GLY A 115 11.080 -8.696 1.557 1.00 2.62 O ATOM 0 H GLY A 115 10.427 -10.117 3.202 1.00 1.73 H new ATOM 0 HA2 GLY A 115 11.341 -11.837 0.990 1.00 2.05 H new ATOM 0 HA3 GLY A 115 9.707 -11.204 0.982 1.00 2.05 H new ATOM 1373 N ASP A 116 11.850 -9.690 -0.310 1.00 1.38 N ATOM 1374 CA ASP A 116 12.410 -8.456 -0.859 1.00 1.29 C ATOM 1375 C ASP A 116 11.294 -7.458 -1.147 1.00 1.01 C ATOM 1376 O ASP A 116 10.715 -7.452 -2.234 1.00 1.32 O ATOM 1377 CB ASP A 116 13.219 -8.744 -2.127 1.00 1.58 C ATOM 1378 CG ASP A 116 13.902 -7.508 -2.676 1.00 2.09 C ATOM 1379 OD1 ASP A 116 13.574 -7.096 -3.806 1.00 2.76 O ATOM 1380 OD2 ASP A 116 14.785 -6.956 -1.986 1.00 2.42 O ATOM 0 H ASP A 116 11.981 -10.514 -0.897 1.00 1.38 H new ATOM 0 HA ASP A 116 13.085 -8.022 -0.121 1.00 1.29 H new ATOM 0 HB2 ASP A 116 13.970 -9.503 -1.910 1.00 1.58 H new ATOM 0 HB3 ASP A 116 12.558 -9.158 -2.889 1.00 1.58 H new ATOM 1385 N SER A 117 10.982 -6.642 -0.144 1.00 0.60 N ATOM 1386 CA SER A 117 9.845 -5.742 -0.199 1.00 0.36 C ATOM 1387 C SER A 117 9.782 -4.883 1.065 1.00 0.34 C ATOM 1388 O SER A 117 10.721 -4.869 1.862 1.00 0.54 O ATOM 1389 CB SER A 117 8.556 -6.558 -0.353 1.00 0.35 C ATOM 1390 OG SER A 117 8.533 -7.635 0.570 1.00 1.07 O ATOM 0 H SER A 117 11.512 -6.590 0.726 1.00 0.60 H new ATOM 0 HA SER A 117 9.955 -5.079 -1.057 1.00 0.36 H new ATOM 0 HB2 SER A 117 7.691 -5.915 -0.191 1.00 0.35 H new ATOM 0 HB3 SER A 117 8.482 -6.942 -1.370 1.00 0.35 H new ATOM 0 HG SER A 117 7.788 -8.234 0.355 1.00 1.07 H new ATOM 1396 N TYR A 118 8.680 -4.164 1.237 1.00 0.22 N ATOM 1397 CA TYR A 118 8.466 -3.314 2.384 1.00 0.24 C ATOM 1398 C TYR A 118 7.109 -3.645 2.988 1.00 0.24 C ATOM 1399 O TYR A 118 6.239 -4.181 2.302 1.00 0.26 O ATOM 1400 CB TYR A 118 8.486 -1.846 1.950 1.00 0.30 C ATOM 1401 CG TYR A 118 9.606 -1.524 0.995 1.00 0.32 C ATOM 1402 CD1 TYR A 118 9.381 -1.500 -0.372 1.00 0.42 C ATOM 1403 CD2 TYR A 118 10.886 -1.269 1.456 1.00 0.57 C ATOM 1404 CE1 TYR A 118 10.406 -1.228 -1.259 1.00 0.55 C ATOM 1405 CE2 TYR A 118 11.915 -0.991 0.581 1.00 0.72 C ATOM 1406 CZ TYR A 118 11.671 -0.974 -0.775 1.00 0.67 C ATOM 1407 OH TYR A 118 12.698 -0.706 -1.650 1.00 0.86 O ATOM 0 H TYR A 118 7.906 -4.160 0.573 1.00 0.22 H new ATOM 0 HA TYR A 118 9.254 -3.479 3.119 1.00 0.24 H new ATOM 0 HB2 TYR A 118 7.534 -1.600 1.479 1.00 0.30 H new ATOM 0 HB3 TYR A 118 8.578 -1.214 2.833 1.00 0.30 H new ATOM 0 HD1 TYR A 118 8.389 -1.697 -0.751 1.00 0.42 H new ATOM 0 HD2 TYR A 118 11.082 -1.288 2.518 1.00 0.57 H new ATOM 0 HE1 TYR A 118 10.217 -1.215 -2.322 1.00 0.55 H new ATOM 0 HE2 TYR A 118 12.907 -0.788 0.957 1.00 0.72 H new ATOM 0 HH TYR A 118 13.524 -0.548 -1.147 1.00 0.86 H new ATOM 1417 N TRP A 119 6.922 -3.311 4.247 1.00 0.27 N ATOM 1418 CA TRP A 119 5.633 -3.463 4.887 1.00 0.30 C ATOM 1419 C TRP A 119 4.965 -2.108 4.975 1.00 0.33 C ATOM 1420 O TRP A 119 5.404 -1.231 5.718 1.00 0.38 O ATOM 1421 CB TRP A 119 5.763 -4.068 6.287 1.00 0.36 C ATOM 1422 CG TRP A 119 5.947 -5.552 6.284 1.00 0.38 C ATOM 1423 CD1 TRP A 119 7.113 -6.236 6.445 1.00 0.48 C ATOM 1424 CD2 TRP A 119 4.923 -6.538 6.114 1.00 0.42 C ATOM 1425 NE1 TRP A 119 6.881 -7.588 6.377 1.00 0.52 N ATOM 1426 CE2 TRP A 119 5.542 -7.799 6.177 1.00 0.48 C ATOM 1427 CE3 TRP A 119 3.541 -6.475 5.913 1.00 0.52 C ATOM 1428 CZ2 TRP A 119 4.828 -8.987 6.048 1.00 0.56 C ATOM 1429 CZ3 TRP A 119 2.832 -7.654 5.784 1.00 0.63 C ATOM 1430 CH2 TRP A 119 3.475 -8.895 5.854 1.00 0.62 C ATOM 0 H TRP A 119 7.651 -2.930 4.850 1.00 0.27 H new ATOM 0 HA TRP A 119 5.030 -4.146 4.288 1.00 0.30 H new ATOM 0 HB2 TRP A 119 6.609 -3.607 6.796 1.00 0.36 H new ATOM 0 HB3 TRP A 119 4.872 -3.822 6.864 1.00 0.36 H new ATOM 0 HD1 TRP A 119 8.080 -5.782 6.603 1.00 0.48 H new ATOM 0 HE1 TRP A 119 7.590 -8.316 6.462 1.00 0.52 H new ATOM 0 HE3 TRP A 119 3.036 -5.522 5.859 1.00 0.52 H new ATOM 0 HZ2 TRP A 119 5.322 -9.946 6.099 1.00 0.56 H new ATOM 0 HZ3 TRP A 119 1.764 -7.617 5.627 1.00 0.63 H new ATOM 0 HH2 TRP A 119 2.893 -9.799 5.753 1.00 0.62 H new ATOM 1441 N VAL A 120 3.929 -1.928 4.186 1.00 0.33 N ATOM 1442 CA VAL A 120 3.191 -0.690 4.201 1.00 0.37 C ATOM 1443 C VAL A 120 1.880 -0.853 4.979 1.00 0.40 C ATOM 1444 O VAL A 120 1.050 -1.715 4.683 1.00 0.55 O ATOM 1445 CB VAL A 120 2.991 -0.236 2.963 1.00 0.40 C ATOM 1446 CG1 VAL A 120 2.257 -1.249 2.088 1.00 0.90 C ATOM 1447 CG2 VAL A 120 2.269 1.096 2.968 1.00 0.91 C ATOM 0 H VAL A 120 3.581 -2.624 3.527 1.00 0.33 H new ATOM 0 HA VAL A 120 3.785 0.062 4.720 1.00 0.37 H new ATOM 0 HB VAL A 120 3.977 -0.083 2.525 1.00 0.40 H new ATOM 0 HG11 VAL A 120 2.117 -0.834 1.090 1.00 0.90 H new ATOM 0 HG12 VAL A 120 2.844 -2.165 2.021 1.00 0.90 H new ATOM 0 HG13 VAL A 120 1.285 -1.472 2.527 1.00 0.90 H new ATOM 0 HG21 VAL A 120 2.124 1.435 1.942 1.00 0.91 H new ATOM 0 HG22 VAL A 120 1.300 0.983 3.454 1.00 0.91 H new ATOM 0 HG23 VAL A 120 2.864 1.830 3.512 1.00 0.91 H new ATOM 1457 N PHE A 121 1.734 -0.052 6.022 1.00 0.39 N ATOM 1458 CA PHE A 121 0.598 -0.161 6.919 1.00 0.41 C ATOM 1459 C PHE A 121 -0.410 0.940 6.655 1.00 0.41 C ATOM 1460 O PHE A 121 -0.050 2.102 6.467 1.00 0.49 O ATOM 1461 CB PHE A 121 1.058 -0.100 8.378 1.00 0.48 C ATOM 1462 CG PHE A 121 1.913 -1.264 8.793 1.00 0.53 C ATOM 1463 CD1 PHE A 121 3.295 -1.193 8.715 1.00 0.56 C ATOM 1464 CD2 PHE A 121 1.331 -2.428 9.267 1.00 0.69 C ATOM 1465 CE1 PHE A 121 4.078 -2.262 9.105 1.00 0.65 C ATOM 1466 CE2 PHE A 121 2.109 -3.500 9.656 1.00 0.79 C ATOM 1467 CZ PHE A 121 3.484 -3.417 9.574 1.00 0.73 C ATOM 0 H PHE A 121 2.394 0.686 6.268 1.00 0.39 H new ATOM 0 HA PHE A 121 0.120 -1.123 6.735 1.00 0.41 H new ATOM 0 HB2 PHE A 121 1.616 0.823 8.535 1.00 0.48 H new ATOM 0 HB3 PHE A 121 0.181 -0.056 9.024 1.00 0.48 H new ATOM 0 HD1 PHE A 121 3.764 -0.293 8.346 1.00 0.56 H new ATOM 0 HD2 PHE A 121 0.255 -2.498 9.333 1.00 0.69 H new ATOM 0 HE1 PHE A 121 5.154 -2.195 9.043 1.00 0.65 H new ATOM 0 HE2 PHE A 121 1.642 -4.402 10.024 1.00 0.79 H new ATOM 0 HZ PHE A 121 4.095 -4.255 9.876 1.00 0.73 H new ATOM 1477 N VAL A 122 -1.674 0.552 6.645 1.00 0.42 N ATOM 1478 CA VAL A 122 -2.771 1.473 6.402 1.00 0.51 C ATOM 1479 C VAL A 122 -3.489 1.789 7.713 1.00 0.54 C ATOM 1480 O VAL A 122 -4.202 0.946 8.266 1.00 0.76 O ATOM 1481 CB VAL A 122 -3.639 0.958 5.541 1.00 0.67 C ATOM 1482 CG1 VAL A 122 -4.741 1.961 5.210 1.00 1.18 C ATOM 1483 CG2 VAL A 122 -2.945 0.488 4.270 1.00 1.16 C ATOM 0 H VAL A 122 -1.969 -0.411 6.805 1.00 0.42 H new ATOM 0 HA VAL A 122 -2.357 2.388 5.979 1.00 0.51 H new ATOM 0 HB VAL A 122 -4.096 0.090 6.016 1.00 0.67 H new ATOM 0 HG11 VAL A 122 -5.439 1.514 4.502 1.00 1.18 H new ATOM 0 HG12 VAL A 122 -5.272 2.232 6.122 1.00 1.18 H new ATOM 0 HG13 VAL A 122 -4.299 2.854 4.769 1.00 1.18 H new ATOM 0 HG21 VAL A 122 -3.683 0.071 3.585 1.00 1.16 H new ATOM 0 HG22 VAL A 122 -2.445 1.332 3.795 1.00 1.16 H new ATOM 0 HG23 VAL A 122 -2.209 -0.276 4.519 1.00 1.16 H new ATOM 1493 N LYS A 123 -3.297 3.001 8.208 1.00 0.52 N ATOM 1494 CA LYS A 123 -3.927 3.426 9.448 1.00 0.66 C ATOM 1495 C LYS A 123 -5.103 4.348 9.151 1.00 0.55 C ATOM 1496 O LYS A 123 -4.911 5.509 8.798 1.00 0.51 O ATOM 1497 CB LYS A 123 -2.912 4.155 10.336 1.00 0.93 C ATOM 1498 CG LYS A 123 -1.728 3.299 10.754 1.00 1.36 C ATOM 1499 CD LYS A 123 -2.158 2.173 11.676 1.00 1.80 C ATOM 1500 CE LYS A 123 -0.978 1.310 12.091 1.00 2.62 C ATOM 1501 NZ LYS A 123 -1.386 0.255 13.052 1.00 3.31 N ATOM 0 H LYS A 123 -2.709 3.709 7.769 1.00 0.52 H new ATOM 0 HA LYS A 123 -4.290 2.542 9.973 1.00 0.66 H new ATOM 0 HB2 LYS A 123 -2.543 5.032 9.804 1.00 0.93 H new ATOM 0 HB3 LYS A 123 -3.420 4.515 11.230 1.00 0.93 H new ATOM 0 HG2 LYS A 123 -1.247 2.883 9.869 1.00 1.36 H new ATOM 0 HG3 LYS A 123 -0.987 3.920 11.257 1.00 1.36 H new ATOM 0 HD2 LYS A 123 -2.635 2.590 12.563 1.00 1.80 H new ATOM 0 HD3 LYS A 123 -2.903 1.555 11.174 1.00 1.80 H new ATOM 0 HE2 LYS A 123 -0.536 0.848 11.208 1.00 2.62 H new ATOM 0 HE3 LYS A 123 -0.209 1.937 12.542 1.00 2.62 H new ATOM 0 HZ1 LYS A 123 -0.557 -0.315 13.314 1.00 3.31 H new ATOM 0 HZ2 LYS A 123 -1.785 0.697 13.904 1.00 3.31 H new ATOM 0 HZ3 LYS A 123 -2.102 -0.357 12.612 1.00 3.31 H new ATOM 1515 N ARG A 124 -6.315 3.825 9.280 1.00 0.67 N ATOM 1516 CA ARG A 124 -7.514 4.610 9.018 1.00 0.76 C ATOM 1517 C ARG A 124 -7.883 5.426 10.250 1.00 0.85 C ATOM 1518 O ARG A 124 -8.005 4.878 11.349 1.00 0.96 O ATOM 1519 CB ARG A 124 -8.683 3.700 8.625 1.00 1.03 C ATOM 1520 CG ARG A 124 -9.852 4.454 8.006 1.00 1.58 C ATOM 1521 CD ARG A 124 -11.023 3.532 7.706 1.00 2.10 C ATOM 1522 NE ARG A 124 -12.012 4.170 6.833 1.00 2.55 N ATOM 1523 CZ ARG A 124 -13.254 4.471 7.204 1.00 3.32 C ATOM 1524 NH1 ARG A 124 -13.646 4.269 8.458 1.00 3.80 N ATOM 1525 NH2 ARG A 124 -14.099 4.996 6.321 1.00 4.03 N ATOM 0 H ARG A 124 -6.494 2.862 9.564 1.00 0.67 H new ATOM 0 HA ARG A 124 -7.308 5.286 8.188 1.00 0.76 H new ATOM 0 HB2 ARG A 124 -8.329 2.950 7.918 1.00 1.03 H new ATOM 0 HB3 ARG A 124 -9.031 3.166 9.509 1.00 1.03 H new ATOM 0 HG2 ARG A 124 -10.175 5.243 8.684 1.00 1.58 H new ATOM 0 HG3 ARG A 124 -9.526 4.938 7.086 1.00 1.58 H new ATOM 0 HD2 ARG A 124 -10.656 2.621 7.233 1.00 2.10 H new ATOM 0 HD3 ARG A 124 -11.501 3.236 8.640 1.00 2.10 H new ATOM 0 HE ARG A 124 -11.730 4.398 5.880 1.00 2.55 H new ATOM 0 HH11 ARG A 124 -12.994 3.882 9.140 1.00 3.80 H new ATOM 0 HH12 ARG A 124 -14.599 4.501 8.738 1.00 3.80 H new ATOM 0 HH21 ARG A 124 -13.794 5.167 5.363 1.00 4.03 H new ATOM 0 HH22 ARG A 124 -15.052 5.228 6.602 1.00 4.03 H new ATOM 1539 N VAL A 125 -8.049 6.725 10.066 1.00 1.06 N ATOM 1540 CA VAL A 125 -8.391 7.608 11.167 1.00 1.33 C ATOM 1541 C VAL A 125 -9.904 7.798 11.282 1.00 2.00 C ATOM 1542 O VAL A 125 -10.462 7.453 12.346 1.00 2.87 O ATOM 1543 CB VAL A 125 -7.780 8.785 11.076 1.00 1.50 C ATOM 1544 CG1 VAL A 125 -6.304 8.632 11.422 1.00 2.10 C ATOM 1545 CG2 VAL A 125 -7.935 9.412 9.695 1.00 2.08 C ATOM 1546 OXT VAL A 125 -10.538 8.245 10.303 1.00 2.26 O ATOM 0 H VAL A 125 -7.952 7.191 9.164 1.00 1.06 H new ATOM 0 HA VAL A 125 -8.035 7.122 12.076 1.00 1.33 H new ATOM 0 HB VAL A 125 -8.256 9.457 11.790 1.00 1.50 H new ATOM 0 HG11 VAL A 125 -5.810 9.601 11.345 1.00 2.10 H new ATOM 0 HG12 VAL A 125 -6.206 8.254 12.440 1.00 2.10 H new ATOM 0 HG13 VAL A 125 -5.839 7.931 10.729 1.00 2.10 H new ATOM 0 HG21 VAL A 125 -7.419 10.372 9.671 1.00 2.08 H new ATOM 0 HG22 VAL A 125 -7.504 8.749 8.944 1.00 2.08 H new ATOM 0 HG23 VAL A 125 -8.993 9.564 9.481 1.00 2.08 H new