USER MOD reduce.3.24.130724 H: found=0, std=0, add=803, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 804 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 216 GLN : amide:sc= -0.746 K(o=-0.75,f=-2.2!) USER MOD Set 1.2: A 219 GLN :FLIP amide:sc= 0 F(o=-1.9,f=-0.75) USER MOD Set 2.1: A 176 HIS : no HE2:sc= 0.575 K(o=0.79,f=-3.1!) USER MOD Set 2.2: A 180 ASN : amide:sc= 0.213 X(o=0.79,f=1) USER MOD Set 3.1: A 158 ASN :FLIP amide:sc= -0.784 F(o=-3.7,f=-2.9) USER MOD Set 3.2: A 159 GLN : amide:sc= -2.12! C(o=-2.9!,f=-9.2!) USER MOD Set 4.1: A 133 MET CE :methyl 145:sc= -8.15! (180deg=-8.56!) USER MOD Set 4.2: A 212 MET CE :methyl -126:sc= -7.24! (180deg=-7.96!) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 128 MET CE :methyl 169:sc= -4.03! (180deg=-4.26!) USER MOD Single : A 131 SER OG : rot 180:sc= -0.206 USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD Single : A 139 HIS : no HE2:sc= -0.555 X(o=-0.56,f=-0.87) USER MOD Single : A 142 ASN : amide:sc= -2.65! C(o=-2.6!,f=-6.3!) USER MOD Single : A 144 TYR OH : rot 180:sc= 0 USER MOD Single : A 148 TYR OH : rot -107:sc= 0.643 USER MOD Single : A 149 TYR OH : rot 180:sc= 0 USER MOD Single : A 152 ASN : amide:sc= -12.1! C(o=-12!,f=-15!) USER MOD Single : A 153 MET CE :methyl -163:sc= -2.09! (180deg=-4.47!) USER MOD Single : A 154 TYR OH : rot 180:sc= 0 USER MOD Single : A 156 TYR OH : rot 180:sc= -3.72! USER MOD Single : A 161 TYR OH : rot 180:sc= 0 USER MOD Single : A 162 TYR OH : rot 62:sc= 0.201 USER MOD Single : A 167 GLN :FLIP amide:sc= -0.286 F(o=-2.1!,f=-0.29) USER MOD Single : A 168 TYR OH : rot 180:sc= 0 USER MOD Single : A 169 SER OG : rot 180:sc= 0 USER MOD Single : A 170 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 171 GLN :FLIP amide:sc= -0.414 F(o=-3.1!,f=-0.41) USER MOD Single : A 172 ASN : amide:sc= 0.187 K(o=0.19,f=-5.6!) USER MOD Single : A 173 SER OG : rot 180:sc= 0 USER MOD Single : A 182 THR OG1 : rot 78:sc= -1.5! USER MOD Single : A 184 LYS NZ :NH3+ 160:sc= -0.0771 (180deg=-0.407) USER MOD Single : A 185 GLN :FLIP amide:sc= -0.103 F(o=-1.4!,f=-0.1) USER MOD Single : A 186 HIS : no HE2:sc= -2.77! C(o=-2.8!,f=-9.3!) USER MOD Single : A 187 THR OG1 : rot -142:sc= 1.48 USER MOD Single : A 189 THR OG1 : rot 7:sc= 1.1 USER MOD Single : A 190 THR OG1 : rot 100:sc= 0.368 USER MOD Single : A 191 THR OG1 : rot 160:sc= -0.693 USER MOD Single : A 192 THR OG1 : rot 180:sc= -2.02! USER MOD Single : A 193 LYS NZ :NH3+ -128:sc= 0.0473 (180deg=-1.17) USER MOD Single : A 196 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 198 THR OG1 : rot 180:sc= -0.115 USER MOD Single : A 200 THR OG1 : rot 180:sc= 0 USER MOD Single : A 203 LYS NZ :NH3+ 174:sc= 1.46 (180deg=1.43) USER MOD Single : A 205 MET CE :methyl -117:sc= -5! (180deg=-10.5!) USER MOD Single : A 211 GLN : amide:sc= -0.15 X(o=-0.15,f=-0.57) USER MOD Single : A 215 THR OG1 : rot 63:sc= 1.24 USER MOD Single : A 217 TYR OH : rot 180:sc= 0 USER MOD Single : A 218 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 221 SER OG : rot 12:sc= 1.28 USER MOD Single : A 222 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 225 TYR OH : rot 180:sc= 0 USER MOD Single : A 226 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD ----------------------------------------------------------------- ATOM 34 N TYR A 127 -9.840 9.860 -5.537 1.00 0.61 N ATOM 35 CA TYR A 127 -8.517 9.649 -4.977 1.00 0.44 C ATOM 36 C TYR A 127 -7.527 9.215 -6.044 1.00 0.45 C ATOM 37 O TYR A 127 -7.897 8.693 -7.099 1.00 0.71 O ATOM 38 CB TYR A 127 -8.553 8.640 -3.830 1.00 0.37 C ATOM 39 CG TYR A 127 -8.914 9.278 -2.505 1.00 0.46 C ATOM 40 CD1 TYR A 127 -9.262 10.620 -2.415 1.00 1.26 C ATOM 41 CD2 TYR A 127 -8.917 8.522 -1.336 1.00 0.86 C ATOM 42 CE1 TYR A 127 -9.598 11.187 -1.199 1.00 1.38 C ATOM 43 CE2 TYR A 127 -9.253 9.080 -0.125 1.00 0.92 C ATOM 44 CZ TYR A 127 -9.559 10.487 -0.089 1.00 0.78 C ATOM 45 OH TYR A 127 -9.918 10.952 1.153 1.00 0.96 O ATOM 0 HA TYR A 127 -8.180 10.604 -4.574 1.00 0.44 H new ATOM 0 HB2 TYR A 127 -9.276 7.858 -4.061 1.00 0.37 H new ATOM 0 HB3 TYR A 127 -7.579 8.158 -3.744 1.00 0.37 H new ATOM 0 HD1 TYR A 127 -9.270 11.229 -3.307 1.00 1.26 H new ATOM 0 HD2 TYR A 127 -8.650 7.476 -1.381 1.00 0.86 H new ATOM 0 HE1 TYR A 127 -9.898 12.224 -1.162 1.00 1.38 H new ATOM 0 HE2 TYR A 127 -9.286 8.481 0.773 1.00 0.92 H new ATOM 0 HH TYR A 127 -9.801 10.239 1.816 1.00 0.96 H new ATOM 55 N MET A 128 -6.268 9.425 -5.740 1.00 0.38 N ATOM 56 CA MET A 128 -5.198 9.242 -6.674 1.00 0.41 C ATOM 57 C MET A 128 -4.265 8.175 -6.107 1.00 0.42 C ATOM 58 O MET A 128 -3.427 8.451 -5.266 1.00 0.43 O ATOM 59 CB MET A 128 -4.539 10.634 -6.897 1.00 0.46 C ATOM 60 CG MET A 128 -3.446 11.063 -5.912 1.00 0.45 C ATOM 61 SD MET A 128 -1.793 10.837 -6.580 1.00 0.52 S ATOM 62 CE MET A 128 -0.998 10.159 -5.133 1.00 0.46 C ATOM 0 H MET A 128 -5.960 9.733 -4.818 1.00 0.38 H new ATOM 0 HA MET A 128 -5.517 8.883 -7.652 1.00 0.41 H new ATOM 0 HB2 MET A 128 -4.113 10.648 -7.900 1.00 0.46 H new ATOM 0 HB3 MET A 128 -5.327 11.387 -6.875 1.00 0.46 H new ATOM 0 HG2 MET A 128 -3.589 12.111 -5.650 1.00 0.45 H new ATOM 0 HG3 MET A 128 -3.544 10.488 -4.991 1.00 0.45 H new ATOM 0 HE1 MET A 128 -0.016 9.772 -5.405 1.00 0.46 H new ATOM 0 HE2 MET A 128 -0.885 10.940 -4.381 1.00 0.46 H new ATOM 0 HE3 MET A 128 -1.607 9.351 -4.728 1.00 0.46 H new ATOM 72 N LEU A 129 -4.474 6.912 -6.469 1.00 0.57 N ATOM 73 CA LEU A 129 -3.676 5.874 -5.843 1.00 0.66 C ATOM 74 C LEU A 129 -2.213 6.187 -6.026 1.00 0.56 C ATOM 75 O LEU A 129 -1.741 6.338 -7.150 1.00 0.56 O ATOM 76 CB LEU A 129 -4.032 4.453 -6.294 1.00 0.92 C ATOM 77 CG LEU A 129 -4.251 4.268 -7.775 1.00 0.37 C ATOM 78 CD1 LEU A 129 -2.969 3.926 -8.509 1.00 1.12 C ATOM 79 CD2 LEU A 129 -5.311 3.217 -8.014 1.00 1.15 C ATOM 0 H LEU A 129 -5.156 6.596 -7.159 1.00 0.57 H new ATOM 0 HA LEU A 129 -3.913 5.879 -4.779 1.00 0.66 H new ATOM 0 HB2 LEU A 129 -3.234 3.781 -5.978 1.00 0.92 H new ATOM 0 HB3 LEU A 129 -4.936 4.142 -5.771 1.00 0.92 H new ATOM 0 HG LEU A 129 -4.596 5.219 -8.180 1.00 0.37 H new ATOM 0 HD11 LEU A 129 -3.180 3.803 -9.571 1.00 1.12 H new ATOM 0 HD12 LEU A 129 -2.246 4.731 -8.373 1.00 1.12 H new ATOM 0 HD13 LEU A 129 -2.558 2.998 -8.111 1.00 1.12 H new ATOM 0 HD21 LEU A 129 -5.462 3.090 -9.086 1.00 1.15 H new ATOM 0 HD22 LEU A 129 -4.990 2.271 -7.578 1.00 1.15 H new ATOM 0 HD23 LEU A 129 -6.246 3.531 -7.550 1.00 1.15 H new ATOM 91 N GLY A 130 -1.559 6.395 -4.884 1.00 0.57 N ATOM 92 CA GLY A 130 -0.192 6.811 -4.840 1.00 0.55 C ATOM 93 C GLY A 130 0.654 5.974 -5.739 1.00 0.53 C ATOM 94 O GLY A 130 1.045 4.865 -5.354 1.00 0.58 O ATOM 0 H GLY A 130 -1.983 6.273 -3.964 1.00 0.57 H new ATOM 0 HA2 GLY A 130 -0.118 7.857 -5.136 1.00 0.55 H new ATOM 0 HA3 GLY A 130 0.180 6.742 -3.818 1.00 0.55 H new ATOM 98 N SER A 131 0.838 6.473 -6.962 1.00 0.56 N ATOM 99 CA SER A 131 1.650 5.814 -7.964 1.00 0.62 C ATOM 100 C SER A 131 1.063 4.445 -8.296 1.00 0.63 C ATOM 101 O SER A 131 0.055 4.031 -7.736 1.00 1.04 O ATOM 102 CB SER A 131 3.090 5.671 -7.453 1.00 0.71 C ATOM 103 OG SER A 131 3.963 5.170 -8.455 1.00 1.30 O ATOM 0 H SER A 131 0.423 7.349 -7.278 1.00 0.56 H new ATOM 0 HA SER A 131 1.658 6.416 -8.872 1.00 0.62 H new ATOM 0 HB2 SER A 131 3.451 6.641 -7.110 1.00 0.71 H new ATOM 0 HB3 SER A 131 3.105 5.002 -6.592 1.00 0.71 H new ATOM 0 HG SER A 131 4.870 5.095 -8.091 1.00 1.30 H new ATOM 109 N ALA A 132 1.668 3.768 -9.237 1.00 0.64 N ATOM 110 CA ALA A 132 1.419 2.358 -9.422 1.00 0.58 C ATOM 111 C ALA A 132 2.757 1.659 -9.354 1.00 0.53 C ATOM 112 O ALA A 132 3.184 1.005 -10.308 1.00 0.65 O ATOM 113 CB ALA A 132 0.716 2.065 -10.733 1.00 0.71 C ATOM 0 H ALA A 132 2.340 4.170 -9.891 1.00 0.64 H new ATOM 0 HA ALA A 132 0.749 1.996 -8.642 1.00 0.58 H new ATOM 0 HB1 ALA A 132 0.551 0.992 -10.825 1.00 0.71 H new ATOM 0 HB2 ALA A 132 -0.243 2.583 -10.755 1.00 0.71 H new ATOM 0 HB3 ALA A 132 1.334 2.410 -11.562 1.00 0.71 H new ATOM 119 N MET A 133 3.426 1.863 -8.221 1.00 0.46 N ATOM 120 CA MET A 133 4.793 1.401 -8.002 1.00 0.49 C ATOM 121 C MET A 133 4.978 -0.055 -8.392 1.00 0.61 C ATOM 122 O MET A 133 4.034 -0.823 -8.442 1.00 1.65 O ATOM 123 CB MET A 133 5.214 1.624 -6.537 1.00 0.48 C ATOM 124 CG MET A 133 4.181 1.223 -5.502 1.00 0.41 C ATOM 125 SD MET A 133 4.573 -0.294 -4.601 1.00 0.73 S ATOM 126 CE MET A 133 3.378 -0.198 -3.260 1.00 0.40 C ATOM 0 H MET A 133 3.030 2.358 -7.422 1.00 0.46 H new ATOM 0 HA MET A 133 5.438 1.994 -8.650 1.00 0.49 H new ATOM 0 HB2 MET A 133 6.130 1.064 -6.349 1.00 0.48 H new ATOM 0 HB3 MET A 133 5.452 2.679 -6.400 1.00 0.48 H new ATOM 0 HG2 MET A 133 4.068 2.037 -4.786 1.00 0.41 H new ATOM 0 HG3 MET A 133 3.218 1.098 -5.997 1.00 0.41 H new ATOM 0 HE1 MET A 133 3.035 -1.201 -3.006 1.00 0.40 H new ATOM 0 HE2 MET A 133 3.846 0.257 -2.387 1.00 0.40 H new ATOM 0 HE3 MET A 133 2.528 0.408 -3.573 1.00 0.40 H new ATOM 136 N SER A 134 6.205 -0.428 -8.684 1.00 0.72 N ATOM 137 CA SER A 134 6.515 -1.807 -9.011 1.00 0.60 C ATOM 138 C SER A 134 7.032 -2.495 -7.769 1.00 0.52 C ATOM 139 O SER A 134 7.925 -3.342 -7.831 1.00 0.74 O ATOM 140 CB SER A 134 7.557 -1.868 -10.131 1.00 0.71 C ATOM 141 OG SER A 134 7.115 -1.169 -11.285 1.00 1.49 O ATOM 0 H SER A 134 7.006 0.203 -8.702 1.00 0.72 H new ATOM 0 HA SER A 134 5.616 -2.313 -9.362 1.00 0.60 H new ATOM 0 HB2 SER A 134 8.496 -1.439 -9.781 1.00 0.71 H new ATOM 0 HB3 SER A 134 7.758 -2.908 -10.388 1.00 0.71 H new ATOM 0 HG SER A 134 7.801 -1.223 -11.983 1.00 1.49 H new ATOM 147 N ARG A 135 6.421 -2.122 -6.650 1.00 0.47 N ATOM 148 CA ARG A 135 6.862 -2.517 -5.329 1.00 0.43 C ATOM 149 C ARG A 135 8.109 -1.744 -4.924 1.00 0.47 C ATOM 150 O ARG A 135 9.021 -1.564 -5.725 1.00 0.59 O ATOM 151 CB ARG A 135 7.099 -4.014 -5.228 1.00 0.55 C ATOM 152 CG ARG A 135 5.901 -4.722 -4.662 1.00 0.49 C ATOM 153 CD ARG A 135 5.655 -4.315 -3.231 1.00 1.38 C ATOM 154 NE ARG A 135 4.513 -5.041 -2.668 1.00 2.40 N ATOM 155 CZ ARG A 135 3.248 -4.634 -2.785 1.00 3.22 C ATOM 156 NH1 ARG A 135 2.974 -3.500 -3.407 1.00 3.47 N ATOM 157 NH2 ARG A 135 2.257 -5.357 -2.290 1.00 4.16 N ATOM 0 H ARG A 135 5.593 -1.527 -6.642 1.00 0.47 H new ATOM 0 HA ARG A 135 6.059 -2.272 -4.634 1.00 0.43 H new ATOM 0 HB2 ARG A 135 7.328 -4.415 -6.215 1.00 0.55 H new ATOM 0 HB3 ARG A 135 7.968 -4.205 -4.598 1.00 0.55 H new ATOM 0 HG2 ARG A 135 5.022 -4.494 -5.264 1.00 0.49 H new ATOM 0 HG3 ARG A 135 6.053 -5.800 -4.716 1.00 0.49 H new ATOM 0 HD2 ARG A 135 6.546 -4.512 -2.635 1.00 1.38 H new ATOM 0 HD3 ARG A 135 5.469 -3.242 -3.181 1.00 1.38 H new ATOM 0 HE ARG A 135 4.696 -5.905 -2.158 1.00 2.40 H new ATOM 0 HH11 ARG A 135 3.730 -2.937 -3.797 1.00 3.47 H new ATOM 0 HH12 ARG A 135 2.007 -3.188 -3.497 1.00 3.47 H new ATOM 0 HH21 ARG A 135 2.456 -6.236 -1.813 1.00 4.16 H new ATOM 0 HH22 ARG A 135 1.294 -5.035 -2.386 1.00 4.16 H new ATOM 171 N PRO A 136 8.173 -1.263 -3.672 1.00 0.43 N ATOM 172 CA PRO A 136 9.371 -0.623 -3.155 1.00 0.49 C ATOM 173 C PRO A 136 10.409 -1.672 -2.781 1.00 0.46 C ATOM 174 O PRO A 136 11.364 -1.396 -2.052 1.00 0.58 O ATOM 175 CB PRO A 136 8.878 0.143 -1.927 1.00 0.52 C ATOM 176 CG PRO A 136 7.648 -0.568 -1.480 1.00 0.47 C ATOM 177 CD PRO A 136 7.093 -1.300 -2.675 1.00 0.40 C ATOM 0 HA PRO A 136 9.856 0.033 -3.878 1.00 0.49 H new ATOM 0 HB2 PRO A 136 9.633 0.152 -1.141 1.00 0.52 H new ATOM 0 HB3 PRO A 136 8.662 1.183 -2.174 1.00 0.52 H new ATOM 0 HG2 PRO A 136 7.879 -1.266 -0.675 1.00 0.47 H new ATOM 0 HG3 PRO A 136 6.916 0.139 -1.089 1.00 0.47 H new ATOM 0 HD2 PRO A 136 6.824 -2.325 -2.421 1.00 0.40 H new ATOM 0 HD3 PRO A 136 6.191 -0.817 -3.051 1.00 0.40 H new ATOM 185 N LEU A 137 10.182 -2.886 -3.293 1.00 0.42 N ATOM 186 CA LEU A 137 11.097 -4.000 -3.129 1.00 0.48 C ATOM 187 C LEU A 137 11.213 -4.391 -1.676 1.00 0.45 C ATOM 188 O LEU A 137 12.303 -4.486 -1.114 1.00 0.62 O ATOM 189 CB LEU A 137 12.449 -3.646 -3.723 1.00 0.70 C ATOM 190 CG LEU A 137 12.765 -4.301 -5.074 1.00 0.77 C ATOM 191 CD1 LEU A 137 12.782 -5.814 -4.938 1.00 1.32 C ATOM 192 CD2 LEU A 137 11.759 -3.873 -6.134 1.00 1.33 C ATOM 0 H LEU A 137 9.349 -3.116 -3.836 1.00 0.42 H new ATOM 0 HA LEU A 137 10.705 -4.865 -3.664 1.00 0.48 H new ATOM 0 HB2 LEU A 137 12.503 -2.564 -3.841 1.00 0.70 H new ATOM 0 HB3 LEU A 137 13.225 -3.928 -3.011 1.00 0.70 H new ATOM 0 HG LEU A 137 13.754 -3.968 -5.391 1.00 0.77 H new ATOM 0 HD11 LEU A 137 13.008 -6.264 -5.905 1.00 1.32 H new ATOM 0 HD12 LEU A 137 13.544 -6.106 -4.215 1.00 1.32 H new ATOM 0 HD13 LEU A 137 11.806 -6.160 -4.596 1.00 1.32 H new ATOM 0 HD21 LEU A 137 12.005 -4.351 -7.083 1.00 1.33 H new ATOM 0 HD22 LEU A 137 10.757 -4.171 -5.826 1.00 1.33 H new ATOM 0 HD23 LEU A 137 11.795 -2.790 -6.253 1.00 1.33 H new ATOM 204 N ILE A 138 10.057 -4.602 -1.082 1.00 0.38 N ATOM 205 CA ILE A 138 9.952 -5.164 0.241 1.00 0.39 C ATOM 206 C ILE A 138 10.500 -6.590 0.215 1.00 0.50 C ATOM 207 O ILE A 138 10.707 -7.160 -0.854 1.00 1.19 O ATOM 208 CB ILE A 138 8.479 -5.132 0.696 1.00 0.38 C ATOM 209 CG1 ILE A 138 7.978 -3.686 0.737 1.00 0.25 C ATOM 210 CG2 ILE A 138 8.281 -5.803 2.044 1.00 0.57 C ATOM 211 CD1 ILE A 138 8.703 -2.817 1.742 1.00 0.31 C ATOM 0 H ILE A 138 9.158 -4.385 -1.511 1.00 0.38 H new ATOM 0 HA ILE A 138 10.536 -4.582 0.954 1.00 0.39 H new ATOM 0 HB ILE A 138 7.895 -5.697 -0.030 1.00 0.38 H new ATOM 0 HG12 ILE A 138 8.085 -3.246 -0.254 1.00 0.25 H new ATOM 0 HG13 ILE A 138 6.914 -3.687 0.972 1.00 0.25 H new ATOM 0 HG21 ILE A 138 7.228 -5.756 2.323 1.00 0.57 H new ATOM 0 HG22 ILE A 138 8.593 -6.845 1.981 1.00 0.57 H new ATOM 0 HG23 ILE A 138 8.879 -5.290 2.797 1.00 0.57 H new ATOM 0 HD11 ILE A 138 8.293 -1.808 1.713 1.00 0.31 H new ATOM 0 HD12 ILE A 138 8.575 -3.232 2.742 1.00 0.31 H new ATOM 0 HD13 ILE A 138 9.764 -2.785 1.496 1.00 0.31 H new ATOM 223 N HIS A 139 10.757 -7.142 1.377 1.00 0.65 N ATOM 224 CA HIS A 139 11.371 -8.455 1.510 1.00 0.75 C ATOM 225 C HIS A 139 11.515 -8.751 2.980 1.00 0.84 C ATOM 226 O HIS A 139 11.486 -7.834 3.803 1.00 1.80 O ATOM 227 CB HIS A 139 12.752 -8.496 0.837 1.00 0.84 C ATOM 228 CG HIS A 139 13.584 -7.312 1.191 1.00 0.72 C ATOM 229 ND1 HIS A 139 13.917 -6.329 0.296 1.00 1.02 N ATOM 230 CD2 HIS A 139 14.050 -6.909 2.385 1.00 1.15 C ATOM 231 CE1 HIS A 139 14.545 -5.361 0.930 1.00 1.08 C ATOM 232 NE2 HIS A 139 14.636 -5.680 2.211 1.00 1.33 N ATOM 0 H HIS A 139 10.546 -6.694 2.269 1.00 0.65 H new ATOM 0 HA HIS A 139 10.743 -9.200 1.020 1.00 0.75 H new ATOM 0 HB2 HIS A 139 13.273 -9.406 1.134 1.00 0.84 H new ATOM 0 HB3 HIS A 139 12.626 -8.540 -0.245 1.00 0.84 H new ATOM 0 HD1 HIS A 139 13.711 -6.345 -0.703 1.00 1.02 H new ATOM 0 HD2 HIS A 139 13.977 -7.454 3.315 1.00 1.15 H new ATOM 0 HE1 HIS A 139 14.924 -4.456 0.479 1.00 1.08 H new ATOM 241 N PHE A 140 11.653 -10.008 3.317 1.00 0.66 N ATOM 242 CA PHE A 140 11.805 -10.392 4.706 1.00 0.54 C ATOM 243 C PHE A 140 12.934 -11.390 4.860 1.00 0.63 C ATOM 244 O PHE A 140 13.246 -11.830 5.967 1.00 0.76 O ATOM 245 CB PHE A 140 10.487 -10.974 5.206 1.00 0.53 C ATOM 246 CG PHE A 140 9.339 -10.038 4.985 1.00 0.40 C ATOM 247 CD1 PHE A 140 9.137 -8.956 5.822 1.00 0.71 C ATOM 248 CD2 PHE A 140 8.490 -10.218 3.909 1.00 0.72 C ATOM 249 CE1 PHE A 140 8.110 -8.066 5.585 1.00 0.67 C ATOM 250 CE2 PHE A 140 7.456 -9.339 3.673 1.00 0.74 C ATOM 251 CZ PHE A 140 7.267 -8.260 4.510 1.00 0.35 C ATOM 0 H PHE A 140 11.664 -10.784 2.655 1.00 0.66 H new ATOM 0 HA PHE A 140 12.058 -9.516 5.304 1.00 0.54 H new ATOM 0 HB2 PHE A 140 10.290 -11.916 4.695 1.00 0.53 H new ATOM 0 HB3 PHE A 140 10.571 -11.200 6.269 1.00 0.53 H new ATOM 0 HD1 PHE A 140 9.790 -8.806 6.669 1.00 0.71 H new ATOM 0 HD2 PHE A 140 8.639 -11.057 3.246 1.00 0.72 H new ATOM 0 HE1 PHE A 140 7.966 -7.219 6.240 1.00 0.67 H new ATOM 0 HE2 PHE A 140 6.794 -9.495 2.834 1.00 0.74 H new ATOM 0 HZ PHE A 140 6.460 -7.567 4.324 1.00 0.35 H new ATOM 261 N GLY A 141 13.559 -11.729 3.736 1.00 0.66 N ATOM 262 CA GLY A 141 14.562 -12.766 3.732 1.00 0.77 C ATOM 263 C GLY A 141 13.930 -14.092 4.049 1.00 0.74 C ATOM 264 O GLY A 141 14.592 -15.027 4.489 1.00 0.86 O ATOM 0 H GLY A 141 13.384 -11.299 2.828 1.00 0.66 H new ATOM 0 HA2 GLY A 141 15.049 -12.809 2.758 1.00 0.77 H new ATOM 0 HA3 GLY A 141 15.336 -12.538 4.465 1.00 0.77 H new ATOM 268 N ASN A 142 12.626 -14.153 3.828 1.00 0.63 N ATOM 269 CA ASN A 142 11.849 -15.326 4.203 1.00 0.63 C ATOM 270 C ASN A 142 11.597 -16.240 3.030 1.00 0.63 C ATOM 271 O ASN A 142 12.022 -15.983 1.904 1.00 0.65 O ATOM 272 CB ASN A 142 10.491 -14.949 4.806 1.00 0.61 C ATOM 273 CG ASN A 142 10.602 -14.236 6.146 1.00 0.81 C ATOM 274 OD1 ASN A 142 9.726 -13.461 6.517 1.00 1.68 O ATOM 275 ND2 ASN A 142 11.669 -14.503 6.887 1.00 1.02 N ATOM 0 H ASN A 142 12.084 -13.407 3.392 1.00 0.63 H new ATOM 0 HA ASN A 142 12.452 -15.844 4.949 1.00 0.63 H new ATOM 0 HB2 ASN A 142 9.956 -14.308 4.105 1.00 0.61 H new ATOM 0 HB3 ASN A 142 9.894 -15.852 4.932 1.00 0.61 H new ATOM 0 HD21 ASN A 142 11.781 -14.058 7.798 1.00 1.02 H new ATOM 0 HD22 ASN A 142 12.377 -15.153 6.546 1.00 1.02 H new ATOM 282 N ASP A 143 10.912 -17.321 3.330 1.00 0.66 N ATOM 283 CA ASP A 143 10.439 -18.240 2.320 1.00 0.67 C ATOM 284 C ASP A 143 8.985 -17.960 2.020 1.00 0.61 C ATOM 285 O ASP A 143 8.643 -17.503 0.937 1.00 0.57 O ATOM 286 CB ASP A 143 10.599 -19.692 2.779 1.00 0.79 C ATOM 287 CG ASP A 143 12.045 -20.095 2.985 1.00 1.34 C ATOM 288 OD1 ASP A 143 12.683 -20.557 2.017 1.00 2.11 O ATOM 289 OD2 ASP A 143 12.550 -19.955 4.117 1.00 1.77 O ATOM 0 H ASP A 143 10.667 -17.588 4.284 1.00 0.66 H new ATOM 0 HA ASP A 143 11.036 -18.097 1.419 1.00 0.67 H new ATOM 0 HB2 ASP A 143 10.052 -19.834 3.711 1.00 0.79 H new ATOM 0 HB3 ASP A 143 10.146 -20.352 2.040 1.00 0.79 H new ATOM 294 N TYR A 144 8.132 -18.193 3.011 1.00 0.64 N ATOM 295 CA TYR A 144 6.702 -18.098 2.798 1.00 0.62 C ATOM 296 C TYR A 144 6.211 -16.666 2.929 1.00 0.55 C ATOM 297 O TYR A 144 5.469 -16.216 2.083 1.00 0.53 O ATOM 298 CB TYR A 144 5.936 -19.015 3.752 1.00 0.76 C ATOM 299 CG TYR A 144 4.503 -19.253 3.320 1.00 0.80 C ATOM 300 CD1 TYR A 144 4.181 -19.495 1.992 1.00 0.98 C ATOM 301 CD2 TYR A 144 3.469 -19.227 4.252 1.00 1.17 C ATOM 302 CE1 TYR A 144 2.869 -19.707 1.604 1.00 1.09 C ATOM 303 CE2 TYR A 144 2.160 -19.437 3.873 1.00 1.28 C ATOM 304 CZ TYR A 144 1.881 -19.700 2.509 1.00 1.08 C ATOM 305 OH TYR A 144 0.558 -19.882 2.168 1.00 1.26 O ATOM 0 H TYR A 144 8.407 -18.447 3.960 1.00 0.64 H new ATOM 0 HA TYR A 144 6.508 -18.428 1.777 1.00 0.62 H new ATOM 0 HB2 TYR A 144 6.453 -19.972 3.821 1.00 0.76 H new ATOM 0 HB3 TYR A 144 5.941 -18.578 4.750 1.00 0.76 H new ATOM 0 HD1 TYR A 144 4.966 -19.518 1.250 1.00 0.98 H new ATOM 0 HD2 TYR A 144 3.696 -19.039 5.291 1.00 1.17 H new ATOM 0 HE1 TYR A 144 2.640 -19.880 0.563 1.00 1.09 H new ATOM 0 HE2 TYR A 144 1.363 -19.402 4.601 1.00 1.28 H new ATOM 0 HH TYR A 144 0.004 -19.842 2.975 1.00 1.26 H new ATOM 315 N GLU A 145 6.619 -15.944 3.977 1.00 0.58 N ATOM 316 CA GLU A 145 6.183 -14.549 4.141 1.00 0.54 C ATOM 317 C GLU A 145 6.726 -13.689 3.013 1.00 0.51 C ATOM 318 O GLU A 145 6.032 -12.813 2.495 1.00 0.50 O ATOM 319 CB GLU A 145 6.666 -13.940 5.448 1.00 0.61 C ATOM 320 CG GLU A 145 6.295 -14.710 6.698 1.00 0.76 C ATOM 321 CD GLU A 145 6.699 -13.949 7.943 1.00 1.31 C ATOM 322 OE1 GLU A 145 6.271 -12.785 8.100 1.00 1.71 O ATOM 323 OE2 GLU A 145 7.418 -14.530 8.790 1.00 1.74 O ATOM 0 H GLU A 145 7.237 -16.290 4.711 1.00 0.58 H new ATOM 0 HA GLU A 145 5.093 -14.569 4.135 1.00 0.54 H new ATOM 0 HB2 GLU A 145 7.751 -13.847 5.407 1.00 0.61 H new ATOM 0 HB3 GLU A 145 6.263 -12.931 5.530 1.00 0.61 H new ATOM 0 HG2 GLU A 145 5.221 -14.893 6.712 1.00 0.76 H new ATOM 0 HG3 GLU A 145 6.784 -15.684 6.688 1.00 0.76 H new ATOM 330 N ASP A 146 7.981 -13.938 2.665 1.00 0.54 N ATOM 331 CA ASP A 146 8.648 -13.216 1.592 1.00 0.54 C ATOM 332 C ASP A 146 7.856 -13.367 0.321 1.00 0.48 C ATOM 333 O ASP A 146 7.416 -12.402 -0.298 1.00 0.51 O ATOM 334 CB ASP A 146 10.018 -13.807 1.343 1.00 0.57 C ATOM 335 CG ASP A 146 10.971 -12.831 0.687 1.00 0.87 C ATOM 336 OD1 ASP A 146 11.573 -12.006 1.414 1.00 1.38 O ATOM 337 OD2 ASP A 146 11.147 -12.903 -0.546 1.00 1.30 O ATOM 0 H ASP A 146 8.563 -14.643 3.117 1.00 0.54 H new ATOM 0 HA ASP A 146 8.732 -12.168 1.880 1.00 0.54 H new ATOM 0 HB2 ASP A 146 10.442 -14.140 2.290 1.00 0.57 H new ATOM 0 HB3 ASP A 146 9.918 -14.689 0.711 1.00 0.57 H new ATOM 342 N ARG A 147 7.698 -14.619 -0.047 1.00 0.44 N ATOM 343 CA ARG A 147 6.912 -15.012 -1.179 1.00 0.45 C ATOM 344 C ARG A 147 5.479 -14.501 -1.029 1.00 0.38 C ATOM 345 O ARG A 147 4.890 -14.016 -1.983 1.00 0.35 O ATOM 346 CB ARG A 147 6.955 -16.532 -1.275 1.00 0.59 C ATOM 347 CG ARG A 147 6.352 -17.117 -2.545 1.00 0.80 C ATOM 348 CD ARG A 147 4.844 -17.044 -2.553 1.00 0.67 C ATOM 349 NE ARG A 147 4.302 -17.499 -3.834 1.00 1.38 N ATOM 350 CZ ARG A 147 3.060 -17.957 -4.019 1.00 1.78 C ATOM 351 NH1 ARG A 147 2.181 -17.946 -3.031 1.00 1.90 N ATOM 352 NH2 ARG A 147 2.690 -18.401 -5.215 1.00 2.55 N ATOM 0 H ARG A 147 8.124 -15.403 0.447 1.00 0.44 H new ATOM 0 HA ARG A 147 7.313 -14.580 -2.096 1.00 0.45 H new ATOM 0 HB2 ARG A 147 7.993 -16.856 -1.202 1.00 0.59 H new ATOM 0 HB3 ARG A 147 6.430 -16.950 -0.416 1.00 0.59 H new ATOM 0 HG2 ARG A 147 6.743 -16.581 -3.410 1.00 0.80 H new ATOM 0 HG3 ARG A 147 6.663 -18.157 -2.646 1.00 0.80 H new ATOM 0 HD2 ARG A 147 4.443 -17.657 -1.746 1.00 0.67 H new ATOM 0 HD3 ARG A 147 4.525 -16.019 -2.363 1.00 0.67 H new ATOM 0 HE ARG A 147 4.918 -17.464 -4.646 1.00 1.38 H new ATOM 0 HH11 ARG A 147 2.448 -17.585 -2.115 1.00 1.90 H new ATOM 0 HH12 ARG A 147 1.236 -18.298 -3.185 1.00 1.90 H new ATOM 0 HH21 ARG A 147 3.353 -18.392 -5.990 1.00 2.55 H new ATOM 0 HH22 ARG A 147 1.743 -18.751 -5.358 1.00 2.55 H new ATOM 366 N TYR A 148 4.932 -14.619 0.174 1.00 0.39 N ATOM 367 CA TYR A 148 3.578 -14.159 0.464 1.00 0.38 C ATOM 368 C TYR A 148 3.442 -12.698 0.074 1.00 0.32 C ATOM 369 O TYR A 148 2.459 -12.306 -0.536 1.00 0.44 O ATOM 370 CB TYR A 148 3.245 -14.355 1.954 1.00 0.53 C ATOM 371 CG TYR A 148 1.844 -14.864 2.221 1.00 0.90 C ATOM 372 CD1 TYR A 148 1.446 -16.129 1.811 1.00 1.93 C ATOM 373 CD2 TYR A 148 0.918 -14.073 2.887 1.00 1.13 C ATOM 374 CE1 TYR A 148 0.166 -16.591 2.060 1.00 2.86 C ATOM 375 CE2 TYR A 148 -0.361 -14.528 3.142 1.00 1.93 C ATOM 376 CZ TYR A 148 -0.729 -15.811 2.698 1.00 2.73 C ATOM 377 OH TYR A 148 -2.003 -16.249 2.988 1.00 3.74 O ATOM 0 H TYR A 148 5.411 -15.034 0.973 1.00 0.39 H new ATOM 0 HA TYR A 148 2.871 -14.750 -0.118 1.00 0.38 H new ATOM 0 HB2 TYR A 148 3.961 -15.055 2.385 1.00 0.53 H new ATOM 0 HB3 TYR A 148 3.378 -13.405 2.471 1.00 0.53 H new ATOM 0 HD1 TYR A 148 2.147 -16.763 1.289 1.00 1.93 H new ATOM 0 HD2 TYR A 148 1.203 -13.083 3.212 1.00 1.13 H new ATOM 0 HE1 TYR A 148 -0.118 -17.583 1.741 1.00 2.86 H new ATOM 0 HE2 TYR A 148 -1.068 -13.908 3.674 1.00 1.93 H new ATOM 0 HH TYR A 148 -2.645 -15.804 2.396 1.00 3.74 H new ATOM 387 N TYR A 149 4.422 -11.899 0.453 1.00 0.27 N ATOM 388 CA TYR A 149 4.565 -10.546 -0.064 1.00 0.25 C ATOM 389 C TYR A 149 4.645 -10.499 -1.603 1.00 0.25 C ATOM 390 O TYR A 149 3.987 -9.675 -2.239 1.00 0.29 O ATOM 391 CB TYR A 149 5.812 -9.896 0.544 1.00 0.35 C ATOM 392 CG TYR A 149 6.504 -8.938 -0.392 1.00 0.31 C ATOM 393 CD1 TYR A 149 5.935 -7.708 -0.704 1.00 1.17 C ATOM 394 CD2 TYR A 149 7.737 -9.247 -0.940 1.00 0.85 C ATOM 395 CE1 TYR A 149 6.575 -6.819 -1.537 1.00 1.32 C ATOM 396 CE2 TYR A 149 8.376 -8.364 -1.777 1.00 0.80 C ATOM 397 CZ TYR A 149 7.758 -7.200 -2.150 1.00 0.63 C ATOM 398 OH TYR A 149 8.446 -6.270 -2.906 1.00 0.81 O ATOM 0 H TYR A 149 5.141 -12.166 1.126 1.00 0.27 H new ATOM 0 HA TYR A 149 3.671 -9.993 0.223 1.00 0.25 H new ATOM 0 HB2 TYR A 149 5.529 -9.364 1.453 1.00 0.35 H new ATOM 0 HB3 TYR A 149 6.514 -10.677 0.837 1.00 0.35 H new ATOM 0 HD1 TYR A 149 4.974 -7.446 -0.285 1.00 1.17 H new ATOM 0 HD2 TYR A 149 8.202 -10.193 -0.707 1.00 0.85 H new ATOM 0 HE1 TYR A 149 6.161 -5.837 -1.711 1.00 1.32 H new ATOM 0 HE2 TYR A 149 9.368 -8.588 -2.141 1.00 0.80 H new ATOM 0 HH TYR A 149 9.257 -6.681 -3.272 1.00 0.81 H new ATOM 408 N ARG A 150 5.450 -11.370 -2.195 1.00 0.27 N ATOM 409 CA ARG A 150 5.751 -11.291 -3.629 1.00 0.30 C ATOM 410 C ARG A 150 4.541 -11.661 -4.486 1.00 0.33 C ATOM 411 O ARG A 150 4.476 -11.338 -5.665 1.00 0.40 O ATOM 412 CB ARG A 150 6.931 -12.194 -3.984 1.00 0.32 C ATOM 413 CG ARG A 150 6.534 -13.618 -4.306 1.00 0.78 C ATOM 414 CD ARG A 150 7.608 -14.322 -5.119 1.00 0.83 C ATOM 415 NE ARG A 150 7.892 -13.618 -6.374 1.00 0.94 N ATOM 416 CZ ARG A 150 8.913 -13.910 -7.184 1.00 1.23 C ATOM 417 NH1 ARG A 150 9.750 -14.898 -6.895 1.00 1.61 N ATOM 418 NH2 ARG A 150 9.098 -13.201 -8.288 1.00 1.36 N ATOM 0 H ARG A 150 5.909 -12.141 -1.710 1.00 0.27 H new ATOM 0 HA ARG A 150 6.013 -10.255 -3.844 1.00 0.30 H new ATOM 0 HB2 ARG A 150 7.456 -11.770 -4.840 1.00 0.32 H new ATOM 0 HB3 ARG A 150 7.634 -12.202 -3.151 1.00 0.32 H new ATOM 0 HG2 ARG A 150 6.358 -14.166 -3.381 1.00 0.78 H new ATOM 0 HG3 ARG A 150 5.596 -13.619 -4.861 1.00 0.78 H new ATOM 0 HD2 ARG A 150 8.521 -14.395 -4.529 1.00 0.83 H new ATOM 0 HD3 ARG A 150 7.288 -15.341 -5.338 1.00 0.83 H new ATOM 0 HE ARG A 150 7.270 -12.857 -6.646 1.00 0.94 H new ATOM 0 HH11 ARG A 150 9.618 -15.446 -6.045 1.00 1.61 H new ATOM 0 HH12 ARG A 150 10.525 -15.110 -7.523 1.00 1.61 H new ATOM 0 HH21 ARG A 150 8.462 -12.437 -8.516 1.00 1.36 H new ATOM 0 HH22 ARG A 150 9.876 -13.420 -8.910 1.00 1.36 H new ATOM 432 N GLU A 151 3.603 -12.355 -3.885 1.00 0.36 N ATOM 433 CA GLU A 151 2.377 -12.751 -4.533 1.00 0.45 C ATOM 434 C GLU A 151 1.333 -11.759 -4.100 1.00 0.49 C ATOM 435 O GLU A 151 0.379 -11.455 -4.816 1.00 0.59 O ATOM 436 CB GLU A 151 1.993 -14.156 -4.101 1.00 0.57 C ATOM 437 CG GLU A 151 2.047 -14.296 -2.607 1.00 0.82 C ATOM 438 CD GLU A 151 1.107 -15.342 -2.062 1.00 1.60 C ATOM 439 OE1 GLU A 151 -0.062 -15.372 -2.483 1.00 2.16 O ATOM 440 OE2 GLU A 151 1.543 -16.132 -1.201 1.00 2.11 O ATOM 0 H GLU A 151 3.673 -12.665 -2.916 1.00 0.36 H new ATOM 0 HA GLU A 151 2.480 -12.761 -5.618 1.00 0.45 H new ATOM 0 HB2 GLU A 151 0.988 -14.387 -4.455 1.00 0.57 H new ATOM 0 HB3 GLU A 151 2.667 -14.878 -4.562 1.00 0.57 H new ATOM 0 HG2 GLU A 151 3.066 -14.546 -2.311 1.00 0.82 H new ATOM 0 HG3 GLU A 151 1.810 -13.334 -2.152 1.00 0.82 H new ATOM 447 N ASN A 152 1.557 -11.253 -2.886 1.00 0.45 N ATOM 448 CA ASN A 152 0.749 -10.205 -2.330 1.00 0.50 C ATOM 449 C ASN A 152 0.728 -9.059 -3.277 1.00 0.55 C ATOM 450 O ASN A 152 -0.313 -8.562 -3.568 1.00 0.88 O ATOM 451 CB ASN A 152 1.213 -9.825 -0.904 1.00 0.46 C ATOM 452 CG ASN A 152 1.557 -8.353 -0.641 1.00 0.51 C ATOM 453 OD1 ASN A 152 0.953 -7.432 -1.164 1.00 0.85 O ATOM 454 ND2 ASN A 152 2.547 -8.129 0.209 1.00 0.67 N ATOM 0 H ASN A 152 2.308 -11.569 -2.273 1.00 0.45 H new ATOM 0 HA ASN A 152 -0.277 -10.551 -2.206 1.00 0.50 H new ATOM 0 HB2 ASN A 152 0.429 -10.117 -0.206 1.00 0.46 H new ATOM 0 HB3 ASN A 152 2.092 -10.424 -0.665 1.00 0.46 H new ATOM 0 HD21 ASN A 152 2.817 -7.172 0.437 1.00 0.67 H new ATOM 0 HD22 ASN A 152 3.040 -8.913 0.636 1.00 0.67 H new ATOM 461 N MET A 153 1.851 -8.712 -3.848 1.00 0.43 N ATOM 462 CA MET A 153 1.887 -7.527 -4.681 1.00 0.46 C ATOM 463 C MET A 153 0.946 -7.627 -5.903 1.00 0.51 C ATOM 464 O MET A 153 0.578 -6.610 -6.492 1.00 0.63 O ATOM 465 CB MET A 153 3.328 -7.204 -5.055 1.00 0.42 C ATOM 466 CG MET A 153 3.514 -6.379 -6.327 1.00 0.92 C ATOM 467 SD MET A 153 3.379 -7.382 -7.813 1.00 1.27 S ATOM 468 CE MET A 153 4.159 -8.856 -7.189 1.00 1.39 C ATOM 0 H MET A 153 2.735 -9.214 -3.759 1.00 0.43 H new ATOM 0 HA MET A 153 1.497 -6.689 -4.104 1.00 0.46 H new ATOM 0 HB2 MET A 153 3.787 -6.667 -4.225 1.00 0.42 H new ATOM 0 HB3 MET A 153 3.873 -8.141 -5.169 1.00 0.42 H new ATOM 0 HG2 MET A 153 2.766 -5.586 -6.357 1.00 0.92 H new ATOM 0 HG3 MET A 153 4.491 -5.895 -6.305 1.00 0.92 H new ATOM 0 HE1 MET A 153 4.450 -9.494 -8.023 1.00 1.39 H new ATOM 0 HE2 MET A 153 5.044 -8.584 -6.614 1.00 1.39 H new ATOM 0 HE3 MET A 153 3.461 -9.393 -6.547 1.00 1.39 H new ATOM 478 N TYR A 154 0.526 -8.844 -6.260 1.00 0.49 N ATOM 479 CA TYR A 154 -0.458 -9.025 -7.331 1.00 0.55 C ATOM 480 C TYR A 154 -1.872 -8.806 -6.789 1.00 0.47 C ATOM 481 O TYR A 154 -2.663 -8.041 -7.341 1.00 0.59 O ATOM 482 CB TYR A 154 -0.386 -10.438 -7.926 1.00 0.66 C ATOM 483 CG TYR A 154 0.965 -10.844 -8.471 1.00 1.18 C ATOM 484 CD1 TYR A 154 1.491 -10.251 -9.611 1.00 1.57 C ATOM 485 CD2 TYR A 154 1.707 -11.839 -7.849 1.00 2.12 C ATOM 486 CE1 TYR A 154 2.719 -10.638 -10.112 1.00 2.39 C ATOM 487 CE2 TYR A 154 2.932 -12.233 -8.345 1.00 3.05 C ATOM 488 CZ TYR A 154 3.434 -11.630 -9.475 1.00 3.08 C ATOM 489 OH TYR A 154 4.656 -12.023 -9.974 1.00 4.05 O ATOM 0 H TYR A 154 0.848 -9.710 -5.828 1.00 0.49 H new ATOM 0 HA TYR A 154 -0.229 -8.296 -8.108 1.00 0.55 H new ATOM 0 HB2 TYR A 154 -0.679 -11.153 -7.157 1.00 0.66 H new ATOM 0 HB3 TYR A 154 -1.120 -10.514 -8.728 1.00 0.66 H new ATOM 0 HD1 TYR A 154 0.932 -9.476 -10.114 1.00 1.57 H new ATOM 0 HD2 TYR A 154 1.318 -12.313 -6.960 1.00 2.12 H new ATOM 0 HE1 TYR A 154 3.117 -10.166 -10.998 1.00 2.39 H new ATOM 0 HE2 TYR A 154 3.494 -13.011 -7.849 1.00 3.05 H new ATOM 0 HH TYR A 154 5.028 -12.731 -9.407 1.00 4.05 H new ATOM 499 N ARG A 155 -2.162 -9.510 -5.702 1.00 0.37 N ATOM 500 CA ARG A 155 -3.477 -9.500 -5.049 1.00 0.36 C ATOM 501 C ARG A 155 -3.676 -8.214 -4.238 1.00 0.31 C ATOM 502 O ARG A 155 -4.710 -7.554 -4.300 1.00 0.41 O ATOM 503 CB ARG A 155 -3.532 -10.721 -4.143 1.00 0.43 C ATOM 504 CG ARG A 155 -2.390 -10.788 -3.155 1.00 0.63 C ATOM 505 CD ARG A 155 -2.342 -12.162 -2.504 1.00 0.58 C ATOM 506 NE ARG A 155 -1.173 -12.366 -1.668 1.00 0.78 N ATOM 507 CZ ARG A 155 -1.151 -13.196 -0.629 1.00 1.20 C ATOM 508 NH1 ARG A 155 -2.249 -13.859 -0.284 1.00 1.05 N ATOM 509 NH2 ARG A 155 -0.032 -13.361 0.058 1.00 1.89 N ATOM 0 H ARG A 155 -1.484 -10.115 -5.238 1.00 0.37 H new ATOM 0 HA ARG A 155 -4.274 -9.532 -5.792 1.00 0.36 H new ATOM 0 HB2 ARG A 155 -4.475 -10.717 -3.597 1.00 0.43 H new ATOM 0 HB3 ARG A 155 -3.524 -11.621 -4.758 1.00 0.43 H new ATOM 0 HG2 ARG A 155 -1.447 -10.584 -3.663 1.00 0.63 H new ATOM 0 HG3 ARG A 155 -2.513 -10.020 -2.392 1.00 0.63 H new ATOM 0 HD2 ARG A 155 -3.239 -12.301 -1.901 1.00 0.58 H new ATOM 0 HD3 ARG A 155 -2.360 -12.925 -3.282 1.00 0.58 H new ATOM 0 HE ARG A 155 -0.324 -11.846 -1.889 1.00 0.78 H new ATOM 0 HH11 ARG A 155 -3.110 -13.732 -0.816 1.00 1.05 H new ATOM 0 HH12 ARG A 155 -2.231 -14.495 0.513 1.00 1.05 H new ATOM 0 HH21 ARG A 155 0.811 -12.852 -0.210 1.00 1.89 H new ATOM 0 HH22 ARG A 155 -0.012 -13.997 0.855 1.00 1.89 H new ATOM 523 N TYR A 156 -2.640 -7.892 -3.504 1.00 0.27 N ATOM 524 CA TYR A 156 -2.536 -6.733 -2.645 1.00 0.28 C ATOM 525 C TYR A 156 -1.578 -5.781 -3.305 1.00 0.39 C ATOM 526 O TYR A 156 -0.379 -6.030 -3.370 1.00 0.78 O ATOM 527 CB TYR A 156 -1.979 -7.172 -1.313 1.00 0.35 C ATOM 528 CG TYR A 156 -2.757 -8.314 -0.710 1.00 0.95 C ATOM 529 CD1 TYR A 156 -4.141 -8.373 -0.826 1.00 1.36 C ATOM 530 CD2 TYR A 156 -2.106 -9.353 -0.067 1.00 1.51 C ATOM 531 CE1 TYR A 156 -4.851 -9.431 -0.309 1.00 1.99 C ATOM 532 CE2 TYR A 156 -2.811 -10.416 0.446 1.00 2.14 C ATOM 533 CZ TYR A 156 -4.180 -10.452 0.324 1.00 2.31 C ATOM 534 OH TYR A 156 -4.875 -11.518 0.831 1.00 2.98 O ATOM 0 H TYR A 156 -1.796 -8.464 -3.488 1.00 0.27 H new ATOM 0 HA TYR A 156 -3.504 -6.257 -2.489 1.00 0.28 H new ATOM 0 HB2 TYR A 156 -0.939 -7.472 -1.439 1.00 0.35 H new ATOM 0 HB3 TYR A 156 -1.986 -6.328 -0.624 1.00 0.35 H new ATOM 0 HD1 TYR A 156 -4.667 -7.576 -1.330 1.00 1.36 H new ATOM 0 HD2 TYR A 156 -1.031 -9.328 0.033 1.00 1.51 H new ATOM 0 HE1 TYR A 156 -5.927 -9.460 -0.399 1.00 1.99 H new ATOM 0 HE2 TYR A 156 -2.291 -11.221 0.944 1.00 2.14 H new ATOM 0 HH TYR A 156 -4.250 -12.149 1.245 1.00 2.98 H new ATOM 544 N PRO A 157 -2.056 -4.662 -3.764 1.00 0.28 N ATOM 545 CA PRO A 157 -1.461 -4.033 -4.916 1.00 0.29 C ATOM 546 C PRO A 157 -0.191 -3.265 -4.618 1.00 0.34 C ATOM 547 O PRO A 157 0.332 -3.265 -3.502 1.00 0.66 O ATOM 548 CB PRO A 157 -2.546 -3.049 -5.307 1.00 0.31 C ATOM 549 CG PRO A 157 -2.991 -2.573 -3.971 1.00 0.32 C ATOM 550 CD PRO A 157 -3.123 -3.842 -3.172 1.00 0.33 C ATOM 0 HA PRO A 157 -1.166 -4.766 -5.667 1.00 0.29 H new ATOM 0 HB2 PRO A 157 -2.164 -2.238 -5.927 1.00 0.31 H new ATOM 0 HB3 PRO A 157 -3.352 -3.524 -5.865 1.00 0.31 H new ATOM 0 HG2 PRO A 157 -2.266 -1.892 -3.526 1.00 0.32 H new ATOM 0 HG3 PRO A 157 -3.938 -2.036 -4.031 1.00 0.32 H new ATOM 0 HD2 PRO A 157 -2.971 -3.675 -2.106 1.00 0.33 H new ATOM 0 HD3 PRO A 157 -4.106 -4.300 -3.286 1.00 0.33 H new ATOM 558 N ASN A 158 0.270 -2.576 -5.634 1.00 0.32 N ATOM 559 CA ASN A 158 1.405 -1.701 -5.519 1.00 0.31 C ATOM 560 C ASN A 158 0.989 -0.268 -5.798 1.00 0.33 C ATOM 561 O ASN A 158 1.564 0.419 -6.633 1.00 0.42 O ATOM 562 CB ASN A 158 2.533 -2.165 -6.434 1.00 0.40 C ATOM 563 CG ASN A 158 2.066 -2.793 -7.746 1.00 0.74 C ATOM 564 OD1 ASN A 158 1.056 -2.213 -8.380 1.00 1.47 O flip ATOM 565 ND2 ASN A 158 2.647 -3.775 -8.209 1.00 1.42 N flip ATOM 0 H ASN A 158 -0.137 -2.609 -6.569 1.00 0.32 H new ATOM 0 HA ASN A 158 1.787 -1.738 -4.499 1.00 0.31 H new ATOM 0 HB2 ASN A 158 3.173 -1.313 -6.661 1.00 0.40 H new ATOM 0 HB3 ASN A 158 3.145 -2.889 -5.897 1.00 0.40 H new ATOM 0 HD21 ASN A 158 3.421 -4.198 -7.697 1.00 1.42 H new ATOM 0 HD22 ASN A 158 2.355 -4.165 -9.105 1.00 1.42 H new ATOM 572 N GLN A 159 -0.048 0.153 -5.093 1.00 0.30 N ATOM 573 CA GLN A 159 -0.541 1.515 -5.162 1.00 0.31 C ATOM 574 C GLN A 159 -1.504 1.750 -4.014 1.00 0.28 C ATOM 575 O GLN A 159 -1.976 0.784 -3.411 1.00 0.29 O ATOM 576 CB GLN A 159 -1.242 1.768 -6.486 1.00 0.38 C ATOM 577 CG GLN A 159 -2.371 0.793 -6.776 1.00 0.44 C ATOM 578 CD GLN A 159 -2.023 -0.204 -7.861 1.00 0.92 C ATOM 579 OE1 GLN A 159 -1.477 -1.270 -7.585 1.00 1.63 O ATOM 580 NE2 GLN A 159 -2.346 0.129 -9.099 1.00 1.50 N ATOM 0 H GLN A 159 -0.573 -0.445 -4.454 1.00 0.30 H new ATOM 0 HA GLN A 159 0.301 2.203 -5.087 1.00 0.31 H new ATOM 0 HB2 GLN A 159 -1.641 2.783 -6.488 1.00 0.38 H new ATOM 0 HB3 GLN A 159 -0.510 1.712 -7.291 1.00 0.38 H new ATOM 0 HG2 GLN A 159 -2.624 0.255 -5.862 1.00 0.44 H new ATOM 0 HG3 GLN A 159 -3.259 1.351 -7.073 1.00 0.44 H new ATOM 0 HE21 GLN A 159 -2.798 1.024 -9.285 1.00 1.50 H new ATOM 0 HE22 GLN A 159 -2.143 -0.509 -9.868 1.00 1.50 H new ATOM 589 N VAL A 160 -1.818 3.004 -3.703 1.00 0.30 N ATOM 590 CA VAL A 160 -2.726 3.266 -2.599 1.00 0.28 C ATOM 591 C VAL A 160 -3.641 4.424 -2.850 1.00 0.31 C ATOM 592 O VAL A 160 -3.215 5.473 -3.264 1.00 0.53 O ATOM 593 CB VAL A 160 -1.992 3.508 -1.271 1.00 0.28 C ATOM 594 CG1 VAL A 160 -1.610 2.201 -0.608 1.00 0.30 C ATOM 595 CG2 VAL A 160 -0.768 4.382 -1.493 1.00 0.29 C ATOM 0 H VAL A 160 -1.467 3.831 -4.186 1.00 0.30 H new ATOM 0 HA VAL A 160 -3.321 2.356 -2.523 1.00 0.28 H new ATOM 0 HB VAL A 160 -2.672 4.031 -0.599 1.00 0.28 H new ATOM 0 HG11 VAL A 160 -1.092 2.406 0.329 1.00 0.30 H new ATOM 0 HG12 VAL A 160 -2.509 1.619 -0.406 1.00 0.30 H new ATOM 0 HG13 VAL A 160 -0.953 1.636 -1.269 1.00 0.30 H new ATOM 0 HG21 VAL A 160 -0.259 4.544 -0.543 1.00 0.29 H new ATOM 0 HG22 VAL A 160 -0.089 3.888 -2.188 1.00 0.29 H new ATOM 0 HG23 VAL A 160 -1.077 5.342 -1.907 1.00 0.29 H new ATOM 605 N TYR A 161 -4.868 4.289 -2.423 1.00 0.32 N ATOM 606 CA TYR A 161 -5.911 5.140 -2.927 1.00 0.36 C ATOM 607 C TYR A 161 -6.100 6.327 -2.016 1.00 0.34 C ATOM 608 O TYR A 161 -6.683 6.220 -0.939 1.00 0.42 O ATOM 609 CB TYR A 161 -7.214 4.362 -2.970 1.00 0.49 C ATOM 610 CG TYR A 161 -7.266 3.218 -3.951 1.00 0.44 C ATOM 611 CD1 TYR A 161 -6.803 1.957 -3.613 1.00 0.38 C ATOM 612 CD2 TYR A 161 -7.741 3.421 -5.241 1.00 0.65 C ATOM 613 CE1 TYR A 161 -6.818 0.927 -4.532 1.00 0.49 C ATOM 614 CE2 TYR A 161 -7.756 2.401 -6.166 1.00 0.74 C ATOM 615 CZ TYR A 161 -7.429 1.071 -5.702 1.00 0.63 C ATOM 616 OH TYR A 161 -7.294 0.133 -6.724 1.00 0.82 O ATOM 0 H TYR A 161 -5.168 3.602 -1.731 1.00 0.32 H new ATOM 0 HA TYR A 161 -5.633 5.482 -3.924 1.00 0.36 H new ATOM 0 HB2 TYR A 161 -7.413 3.969 -1.973 1.00 0.49 H new ATOM 0 HB3 TYR A 161 -8.021 5.055 -3.207 1.00 0.49 H new ATOM 0 HD1 TYR A 161 -6.425 1.777 -2.617 1.00 0.38 H new ATOM 0 HD2 TYR A 161 -8.105 4.398 -5.524 1.00 0.65 H new ATOM 0 HE1 TYR A 161 -6.327 -0.006 -4.297 1.00 0.49 H new ATOM 0 HE2 TYR A 161 -8.003 2.588 -7.201 1.00 0.74 H new ATOM 0 HH TYR A 161 -7.819 0.418 -7.501 1.00 0.82 H new ATOM 626 N TYR A 162 -5.583 7.458 -2.461 1.00 0.31 N ATOM 627 CA TYR A 162 -5.672 8.678 -1.702 1.00 0.27 C ATOM 628 C TYR A 162 -5.328 9.849 -2.592 1.00 0.31 C ATOM 629 O TYR A 162 -4.797 9.669 -3.651 1.00 0.55 O ATOM 630 CB TYR A 162 -4.738 8.607 -0.497 1.00 0.39 C ATOM 631 CG TYR A 162 -3.299 8.978 -0.799 1.00 0.46 C ATOM 632 CD1 TYR A 162 -2.534 8.263 -1.714 1.00 0.77 C ATOM 633 CD2 TYR A 162 -2.711 10.054 -0.165 1.00 0.89 C ATOM 634 CE1 TYR A 162 -1.224 8.623 -1.982 1.00 1.16 C ATOM 635 CE2 TYR A 162 -1.408 10.420 -0.425 1.00 1.29 C ATOM 636 CZ TYR A 162 -0.668 9.705 -1.332 1.00 1.35 C ATOM 637 OH TYR A 162 0.636 10.072 -1.578 1.00 1.82 O ATOM 0 H TYR A 162 -5.095 7.550 -3.352 1.00 0.31 H new ATOM 0 HA TYR A 162 -6.689 8.812 -1.333 1.00 0.27 H new ATOM 0 HB2 TYR A 162 -5.116 9.271 0.281 1.00 0.39 H new ATOM 0 HB3 TYR A 162 -4.763 7.595 -0.092 1.00 0.39 H new ATOM 0 HD1 TYR A 162 -2.968 7.415 -2.223 1.00 0.77 H new ATOM 0 HD2 TYR A 162 -3.285 10.622 0.552 1.00 0.89 H new ATOM 0 HE1 TYR A 162 -0.641 8.060 -2.696 1.00 1.16 H new ATOM 0 HE2 TYR A 162 -0.971 11.267 0.084 1.00 1.29 H new ATOM 0 HH TYR A 162 0.735 10.315 -2.522 1.00 1.82 H new ATOM 647 N ARG A 163 -5.631 11.039 -2.168 1.00 0.26 N ATOM 648 CA ARG A 163 -5.357 12.213 -2.979 1.00 0.32 C ATOM 649 C ARG A 163 -4.120 12.900 -2.424 1.00 0.36 C ATOM 650 O ARG A 163 -3.668 12.531 -1.345 1.00 0.41 O ATOM 651 CB ARG A 163 -6.565 13.141 -3.039 1.00 0.41 C ATOM 652 CG ARG A 163 -6.889 13.847 -1.745 1.00 0.75 C ATOM 653 CD ARG A 163 -7.950 14.897 -1.999 1.00 1.28 C ATOM 654 NE ARG A 163 -8.411 15.549 -0.779 1.00 1.93 N ATOM 655 CZ ARG A 163 -9.509 16.299 -0.719 1.00 2.58 C ATOM 656 NH1 ARG A 163 -10.287 16.427 -1.790 1.00 2.91 N ATOM 657 NH2 ARG A 163 -9.846 16.899 0.415 1.00 3.26 N ATOM 0 H ARG A 163 -6.068 11.235 -1.267 1.00 0.26 H new ATOM 0 HA ARG A 163 -5.162 11.918 -4.010 1.00 0.32 H new ATOM 0 HB2 ARG A 163 -6.391 13.890 -3.811 1.00 0.41 H new ATOM 0 HB3 ARG A 163 -7.435 12.561 -3.347 1.00 0.41 H new ATOM 0 HG2 ARG A 163 -7.242 13.129 -1.004 1.00 0.75 H new ATOM 0 HG3 ARG A 163 -5.992 14.312 -1.337 1.00 0.75 H new ATOM 0 HD2 ARG A 163 -7.552 15.650 -2.679 1.00 1.28 H new ATOM 0 HD3 ARG A 163 -8.800 14.433 -2.500 1.00 1.28 H new ATOM 0 HE ARG A 163 -7.864 15.424 0.073 1.00 1.93 H new ATOM 0 HH11 ARG A 163 -10.042 15.950 -2.658 1.00 2.91 H new ATOM 0 HH12 ARG A 163 -11.128 17.002 -1.743 1.00 2.91 H new ATOM 0 HH21 ARG A 163 -9.263 16.786 1.244 1.00 3.26 H new ATOM 0 HH22 ARG A 163 -10.688 17.473 0.458 1.00 3.26 H new ATOM 671 N PRO A 164 -3.556 13.918 -3.086 1.00 0.45 N ATOM 672 CA PRO A 164 -2.171 14.291 -2.843 1.00 0.51 C ATOM 673 C PRO A 164 -2.012 15.237 -1.679 1.00 0.51 C ATOM 674 O PRO A 164 -2.704 16.248 -1.541 1.00 0.57 O ATOM 675 CB PRO A 164 -1.772 15.025 -4.130 1.00 0.65 C ATOM 676 CG PRO A 164 -2.938 14.891 -5.059 1.00 0.80 C ATOM 677 CD PRO A 164 -4.131 14.705 -4.173 1.00 0.53 C ATOM 0 HA PRO A 164 -1.567 13.416 -2.602 1.00 0.51 H new ATOM 0 HB2 PRO A 164 -1.552 16.073 -3.929 1.00 0.65 H new ATOM 0 HB3 PRO A 164 -0.873 14.588 -4.566 1.00 0.65 H new ATOM 0 HG2 PRO A 164 -3.047 15.777 -5.684 1.00 0.80 H new ATOM 0 HG3 PRO A 164 -2.810 14.042 -5.730 1.00 0.80 H new ATOM 0 HD2 PRO A 164 -4.536 15.655 -3.824 1.00 0.53 H new ATOM 0 HD3 PRO A 164 -4.941 14.179 -4.678 1.00 0.53 H new ATOM 685 N VAL A 165 -1.082 14.846 -0.839 1.00 0.52 N ATOM 686 CA VAL A 165 -0.882 15.428 0.461 1.00 0.50 C ATOM 687 C VAL A 165 0.481 16.087 0.537 1.00 0.49 C ATOM 688 O VAL A 165 1.426 15.651 -0.119 1.00 0.47 O ATOM 689 CB VAL A 165 -0.981 14.322 1.525 1.00 0.50 C ATOM 690 CG1 VAL A 165 -0.029 13.191 1.171 1.00 1.31 C ATOM 691 CG2 VAL A 165 -0.702 14.852 2.926 1.00 1.15 C ATOM 0 H VAL A 165 -0.427 14.093 -1.050 1.00 0.52 H new ATOM 0 HA VAL A 165 -1.646 16.185 0.639 1.00 0.50 H new ATOM 0 HB VAL A 165 -2.003 13.944 1.531 1.00 0.50 H new ATOM 0 HG11 VAL A 165 -0.099 12.407 1.925 1.00 1.31 H new ATOM 0 HG12 VAL A 165 -0.296 12.782 0.197 1.00 1.31 H new ATOM 0 HG13 VAL A 165 0.992 13.572 1.137 1.00 1.31 H new ATOM 0 HG21 VAL A 165 -0.783 14.038 3.646 1.00 1.15 H new ATOM 0 HG22 VAL A 165 0.304 15.271 2.963 1.00 1.15 H new ATOM 0 HG23 VAL A 165 -1.427 15.627 3.173 1.00 1.15 H new ATOM 701 N ASP A 166 0.566 17.129 1.340 1.00 0.62 N ATOM 702 CA ASP A 166 1.800 17.866 1.524 1.00 0.67 C ATOM 703 C ASP A 166 1.588 18.969 2.545 1.00 0.90 C ATOM 704 O ASP A 166 2.394 19.171 3.451 1.00 1.48 O ATOM 705 CB ASP A 166 2.286 18.427 0.187 1.00 0.62 C ATOM 706 CG ASP A 166 3.113 19.684 0.359 1.00 0.70 C ATOM 707 OD1 ASP A 166 4.327 19.566 0.635 1.00 1.07 O ATOM 708 OD2 ASP A 166 2.557 20.789 0.193 1.00 0.90 O ATOM 0 H ASP A 166 -0.219 17.489 1.883 1.00 0.62 H new ATOM 0 HA ASP A 166 2.572 17.195 1.901 1.00 0.67 H new ATOM 0 HB2 ASP A 166 2.880 17.671 -0.327 1.00 0.62 H new ATOM 0 HB3 ASP A 166 1.427 18.644 -0.448 1.00 0.62 H new ATOM 713 N GLN A 167 0.468 19.651 2.413 1.00 0.75 N ATOM 714 CA GLN A 167 0.080 20.685 3.356 1.00 0.96 C ATOM 715 C GLN A 167 -0.812 20.095 4.446 1.00 0.87 C ATOM 716 O GLN A 167 -1.937 20.545 4.680 1.00 1.10 O ATOM 717 CB GLN A 167 -0.616 21.818 2.608 1.00 1.34 C ATOM 718 CG GLN A 167 -1.729 21.345 1.685 1.00 1.50 C ATOM 719 CD GLN A 167 -1.890 22.239 0.476 1.00 2.16 C ATOM 720 OE1 GLN A 167 -0.781 22.769 -0.014 1.00 2.71 O flip ATOM 721 NE2 GLN A 167 -2.994 22.419 -0.038 1.00 2.72 N flip ATOM 0 H GLN A 167 -0.197 19.506 1.653 1.00 0.75 H new ATOM 0 HA GLN A 167 0.966 21.092 3.844 1.00 0.96 H new ATOM 0 HB2 GLN A 167 -1.030 22.520 3.332 1.00 1.34 H new ATOM 0 HB3 GLN A 167 0.124 22.363 2.022 1.00 1.34 H new ATOM 0 HG2 GLN A 167 -1.518 20.327 1.356 1.00 1.50 H new ATOM 0 HG3 GLN A 167 -2.668 21.313 2.238 1.00 1.50 H new ATOM 0 HE21 GLN A 167 -3.824 21.991 0.373 1.00 2.72 H new ATOM 0 HE22 GLN A 167 -3.079 22.996 -0.875 1.00 2.72 H new ATOM 730 N TYR A 168 -0.293 19.066 5.099 1.00 0.82 N ATOM 731 CA TYR A 168 -1.010 18.360 6.150 1.00 0.92 C ATOM 732 C TYR A 168 -0.029 18.037 7.273 1.00 0.95 C ATOM 733 O TYR A 168 1.164 17.865 7.015 1.00 1.61 O ATOM 734 CB TYR A 168 -1.628 17.079 5.576 1.00 1.02 C ATOM 735 CG TYR A 168 -2.711 16.454 6.430 1.00 1.24 C ATOM 736 CD1 TYR A 168 -3.968 17.037 6.527 1.00 1.62 C ATOM 737 CD2 TYR A 168 -2.487 15.271 7.119 1.00 2.02 C ATOM 738 CE1 TYR A 168 -4.968 16.460 7.288 1.00 2.11 C ATOM 739 CE2 TYR A 168 -3.480 14.689 7.886 1.00 2.63 C ATOM 740 CZ TYR A 168 -4.718 15.287 7.966 1.00 2.50 C ATOM 741 OH TYR A 168 -5.715 14.705 8.723 1.00 3.21 O ATOM 0 H TYR A 168 0.640 18.696 4.914 1.00 0.82 H new ATOM 0 HA TYR A 168 -1.816 18.978 6.546 1.00 0.92 H new ATOM 0 HB2 TYR A 168 -2.044 17.303 4.594 1.00 1.02 H new ATOM 0 HB3 TYR A 168 -0.835 16.346 5.427 1.00 1.02 H new ATOM 0 HD1 TYR A 168 -4.168 17.957 5.999 1.00 1.62 H new ATOM 0 HD2 TYR A 168 -1.519 14.796 7.055 1.00 2.02 H new ATOM 0 HE1 TYR A 168 -5.940 16.926 7.351 1.00 2.11 H new ATOM 0 HE2 TYR A 168 -3.286 13.770 8.419 1.00 2.63 H new ATOM 0 HH TYR A 168 -5.375 13.883 9.135 1.00 3.21 H new ATOM 751 N SER A 169 -0.511 17.974 8.505 1.00 1.17 N ATOM 752 CA SER A 169 0.372 17.775 9.647 1.00 1.17 C ATOM 753 C SER A 169 0.630 16.292 9.909 1.00 1.05 C ATOM 754 O SER A 169 1.749 15.898 10.245 1.00 1.12 O ATOM 755 CB SER A 169 -0.231 18.426 10.890 1.00 1.40 C ATOM 756 OG SER A 169 -0.624 19.767 10.629 1.00 1.94 O ATOM 0 H SER A 169 -1.500 18.057 8.740 1.00 1.17 H new ATOM 0 HA SER A 169 1.328 18.244 9.415 1.00 1.17 H new ATOM 0 HB2 SER A 169 -1.094 17.850 11.223 1.00 1.40 H new ATOM 0 HB3 SER A 169 0.496 18.409 11.702 1.00 1.40 H new ATOM 0 HG SER A 169 -1.008 20.159 11.441 1.00 1.94 H new ATOM 762 N ASN A 170 -0.402 15.470 9.761 1.00 0.98 N ATOM 763 CA ASN A 170 -0.282 14.049 10.059 1.00 0.89 C ATOM 764 C ASN A 170 0.300 13.291 8.897 1.00 0.68 C ATOM 765 O ASN A 170 -0.195 13.341 7.773 1.00 0.75 O ATOM 766 CB ASN A 170 -1.622 13.440 10.477 1.00 1.08 C ATOM 767 CG ASN A 170 -2.091 13.926 11.832 1.00 1.74 C ATOM 768 OD1 ASN A 170 -2.832 14.902 11.936 1.00 2.20 O ATOM 769 ND2 ASN A 170 -1.646 13.255 12.886 1.00 2.25 N ATOM 0 H ASN A 170 -1.325 15.761 9.439 1.00 0.98 H new ATOM 0 HA ASN A 170 0.403 13.961 10.902 1.00 0.89 H new ATOM 0 HB2 ASN A 170 -2.376 13.683 9.728 1.00 1.08 H new ATOM 0 HB3 ASN A 170 -1.532 12.354 10.497 1.00 1.08 H new ATOM 0 HD21 ASN A 170 -1.917 13.544 13.826 1.00 2.25 H new ATOM 0 HD22 ASN A 170 -1.033 12.450 12.757 1.00 2.25 H new ATOM 776 N GLN A 171 1.347 12.565 9.205 1.00 0.63 N ATOM 777 CA GLN A 171 2.148 11.913 8.208 1.00 0.56 C ATOM 778 C GLN A 171 1.732 10.459 8.023 1.00 0.47 C ATOM 779 O GLN A 171 1.193 10.080 6.986 1.00 0.60 O ATOM 780 CB GLN A 171 3.595 12.002 8.657 1.00 0.86 C ATOM 781 CG GLN A 171 4.536 11.151 7.854 1.00 0.71 C ATOM 782 CD GLN A 171 5.392 10.260 8.731 1.00 1.11 C ATOM 783 OE1 GLN A 171 4.878 9.917 9.908 1.00 1.63 O flip ATOM 784 NE2 GLN A 171 6.510 9.896 8.363 1.00 1.41 N flip ATOM 0 H GLN A 171 1.666 12.411 10.162 1.00 0.63 H new ATOM 0 HA GLN A 171 2.012 12.403 7.244 1.00 0.56 H new ATOM 0 HB2 GLN A 171 3.920 13.041 8.598 1.00 0.86 H new ATOM 0 HB3 GLN A 171 3.659 11.707 9.704 1.00 0.86 H new ATOM 0 HG2 GLN A 171 3.964 10.534 7.161 1.00 0.71 H new ATOM 0 HG3 GLN A 171 5.180 11.793 7.253 1.00 0.71 H new ATOM 0 HE21 GLN A 171 6.865 10.183 7.451 1.00 1.41 H new ATOM 0 HE22 GLN A 171 7.080 9.308 8.970 1.00 1.41 H new ATOM 793 N ASN A 172 1.951 9.661 9.055 1.00 0.47 N ATOM 794 CA ASN A 172 1.719 8.227 8.980 1.00 0.49 C ATOM 795 C ASN A 172 0.242 7.934 9.139 1.00 0.42 C ATOM 796 O ASN A 172 -0.261 6.932 8.645 1.00 0.52 O ATOM 797 CB ASN A 172 2.534 7.490 10.052 1.00 0.65 C ATOM 798 CG ASN A 172 2.203 7.936 11.467 1.00 1.19 C ATOM 799 OD1 ASN A 172 1.795 9.073 11.698 1.00 1.88 O ATOM 800 ND2 ASN A 172 2.395 7.052 12.425 1.00 1.56 N ATOM 0 H ASN A 172 2.291 9.984 9.961 1.00 0.47 H new ATOM 0 HA ASN A 172 2.045 7.870 8.003 1.00 0.49 H new ATOM 0 HB2 ASN A 172 2.353 6.419 9.964 1.00 0.65 H new ATOM 0 HB3 ASN A 172 3.596 7.651 9.866 1.00 0.65 H new ATOM 0 HD21 ASN A 172 2.204 7.302 13.395 1.00 1.56 H new ATOM 0 HD22 ASN A 172 2.735 6.118 12.196 1.00 1.56 H new ATOM 807 N SER A 173 -0.447 8.837 9.814 1.00 0.41 N ATOM 808 CA SER A 173 -1.875 8.723 10.020 1.00 0.46 C ATOM 809 C SER A 173 -2.621 8.874 8.694 1.00 0.37 C ATOM 810 O SER A 173 -3.498 8.072 8.371 1.00 0.36 O ATOM 811 CB SER A 173 -2.311 9.792 11.020 1.00 0.60 C ATOM 812 OG SER A 173 -3.703 9.731 11.280 1.00 0.74 O ATOM 0 H SER A 173 -0.030 9.668 10.233 1.00 0.41 H new ATOM 0 HA SER A 173 -2.115 7.737 10.419 1.00 0.46 H new ATOM 0 HB2 SER A 173 -1.761 9.664 11.952 1.00 0.60 H new ATOM 0 HB3 SER A 173 -2.056 10.778 10.632 1.00 0.60 H new ATOM 0 HG SER A 173 -3.946 10.428 11.925 1.00 0.74 H new ATOM 818 N PHE A 174 -2.246 9.891 7.926 1.00 0.33 N ATOM 819 CA PHE A 174 -2.847 10.139 6.619 1.00 0.32 C ATOM 820 C PHE A 174 -2.458 9.033 5.639 1.00 0.24 C ATOM 821 O PHE A 174 -3.231 8.654 4.762 1.00 0.30 O ATOM 822 CB PHE A 174 -2.390 11.510 6.104 1.00 0.40 C ATOM 823 CG PHE A 174 -2.934 11.882 4.757 1.00 0.61 C ATOM 824 CD1 PHE A 174 -2.307 11.443 3.609 1.00 1.12 C ATOM 825 CD2 PHE A 174 -4.060 12.683 4.636 1.00 0.99 C ATOM 826 CE1 PHE A 174 -2.787 11.785 2.368 1.00 1.41 C ATOM 827 CE2 PHE A 174 -4.548 13.030 3.388 1.00 1.29 C ATOM 828 CZ PHE A 174 -3.905 12.577 2.250 1.00 1.33 C ATOM 0 H PHE A 174 -1.524 10.562 8.188 1.00 0.33 H new ATOM 0 HA PHE A 174 -3.933 10.139 6.711 1.00 0.32 H new ATOM 0 HB2 PHE A 174 -2.687 12.272 6.825 1.00 0.40 H new ATOM 0 HB3 PHE A 174 -1.301 11.522 6.058 1.00 0.40 H new ATOM 0 HD1 PHE A 174 -1.427 10.822 3.687 1.00 1.12 H new ATOM 0 HD2 PHE A 174 -4.561 13.039 5.524 1.00 0.99 H new ATOM 0 HE1 PHE A 174 -2.284 11.430 1.481 1.00 1.41 H new ATOM 0 HE2 PHE A 174 -5.427 13.652 3.303 1.00 1.29 H new ATOM 0 HZ PHE A 174 -4.279 12.844 1.273 1.00 1.33 H new ATOM 838 N VAL A 175 -1.260 8.504 5.821 1.00 0.20 N ATOM 839 CA VAL A 175 -0.732 7.473 4.942 1.00 0.20 C ATOM 840 C VAL A 175 -1.339 6.095 5.224 1.00 0.22 C ATOM 841 O VAL A 175 -1.937 5.469 4.346 1.00 0.25 O ATOM 842 CB VAL A 175 0.789 7.406 5.063 1.00 0.28 C ATOM 843 CG1 VAL A 175 1.294 6.055 4.627 1.00 0.33 C ATOM 844 CG2 VAL A 175 1.433 8.509 4.243 1.00 0.41 C ATOM 0 H VAL A 175 -0.630 8.774 6.576 1.00 0.20 H new ATOM 0 HA VAL A 175 -1.009 7.748 3.924 1.00 0.20 H new ATOM 0 HB VAL A 175 1.061 7.551 6.109 1.00 0.28 H new ATOM 0 HG11 VAL A 175 2.380 6.025 4.720 1.00 0.33 H new ATOM 0 HG12 VAL A 175 0.855 5.282 5.257 1.00 0.33 H new ATOM 0 HG13 VAL A 175 1.014 5.880 3.588 1.00 0.33 H new ATOM 0 HG21 VAL A 175 2.517 8.448 4.339 1.00 0.41 H new ATOM 0 HG22 VAL A 175 1.155 8.393 3.195 1.00 0.41 H new ATOM 0 HG23 VAL A 175 1.090 9.479 4.605 1.00 0.41 H new ATOM 854 N HIS A 176 -1.127 5.587 6.426 1.00 0.26 N ATOM 855 CA HIS A 176 -1.859 4.403 6.886 1.00 0.33 C ATOM 856 C HIS A 176 -3.370 4.514 6.566 1.00 0.30 C ATOM 857 O HIS A 176 -4.058 3.503 6.445 1.00 0.32 O ATOM 858 CB HIS A 176 -1.641 4.187 8.386 1.00 0.46 C ATOM 859 CG HIS A 176 -1.866 2.773 8.827 1.00 0.73 C ATOM 860 ND1 HIS A 176 -0.841 1.913 9.149 1.00 0.97 N ATOM 861 CD2 HIS A 176 -3.009 2.071 8.993 1.00 1.40 C ATOM 862 CE1 HIS A 176 -1.342 0.743 9.491 1.00 1.32 C ATOM 863 NE2 HIS A 176 -2.659 0.807 9.407 1.00 1.69 N ATOM 0 H HIS A 176 -0.462 5.966 7.101 1.00 0.26 H new ATOM 0 HA HIS A 176 -1.468 3.539 6.349 1.00 0.33 H new ATOM 0 HB2 HIS A 176 -0.623 4.481 8.643 1.00 0.46 H new ATOM 0 HB3 HIS A 176 -2.312 4.843 8.940 1.00 0.46 H new ATOM 0 HD1 HIS A 176 0.152 2.145 9.126 1.00 0.97 H new ATOM 0 HD2 HIS A 176 -4.013 2.436 8.830 1.00 1.40 H new ATOM 0 HE1 HIS A 176 -0.771 -0.124 9.790 1.00 1.32 H new ATOM 872 N ASP A 177 -3.876 5.741 6.430 1.00 0.30 N ATOM 873 CA ASP A 177 -5.253 5.980 5.961 1.00 0.33 C ATOM 874 C ASP A 177 -5.423 5.532 4.527 1.00 0.28 C ATOM 875 O ASP A 177 -6.366 4.823 4.226 1.00 0.29 O ATOM 876 CB ASP A 177 -5.603 7.456 6.048 1.00 0.41 C ATOM 877 CG ASP A 177 -7.068 7.719 5.770 1.00 0.60 C ATOM 878 OD1 ASP A 177 -7.920 7.214 6.532 1.00 0.81 O ATOM 879 OD2 ASP A 177 -7.376 8.446 4.803 1.00 0.84 O ATOM 0 H ASP A 177 -3.354 6.592 6.638 1.00 0.30 H new ATOM 0 HA ASP A 177 -5.917 5.404 6.605 1.00 0.33 H new ATOM 0 HB2 ASP A 177 -5.352 7.828 7.041 1.00 0.41 H new ATOM 0 HB3 ASP A 177 -4.995 8.013 5.336 1.00 0.41 H new ATOM 884 N CYS A 178 -4.489 5.931 3.662 1.00 0.26 N ATOM 885 CA CYS A 178 -4.492 5.551 2.252 1.00 0.27 C ATOM 886 C CYS A 178 -4.714 4.055 2.129 1.00 0.24 C ATOM 887 O CYS A 178 -5.346 3.565 1.196 1.00 0.29 O ATOM 888 CB CYS A 178 -3.140 5.863 1.603 1.00 0.34 C ATOM 889 SG CYS A 178 -2.284 7.352 2.180 1.00 0.79 S ATOM 0 H CYS A 178 -3.706 6.530 3.923 1.00 0.26 H new ATOM 0 HA CYS A 178 -5.285 6.112 1.757 1.00 0.27 H new ATOM 0 HB2 CYS A 178 -2.481 5.009 1.762 1.00 0.34 H new ATOM 0 HB3 CYS A 178 -3.292 5.953 0.527 1.00 0.34 H new ATOM 894 N VAL A 179 -4.163 3.336 3.089 1.00 0.23 N ATOM 895 CA VAL A 179 -4.256 1.894 3.109 1.00 0.22 C ATOM 896 C VAL A 179 -5.540 1.420 3.788 1.00 0.22 C ATOM 897 O VAL A 179 -6.072 0.373 3.439 1.00 0.22 O ATOM 898 CB VAL A 179 -3.025 1.288 3.783 1.00 0.21 C ATOM 899 CG1 VAL A 179 -1.901 2.298 3.796 1.00 0.21 C ATOM 900 CG2 VAL A 179 -3.334 0.767 5.169 1.00 0.24 C ATOM 0 H VAL A 179 -3.642 3.735 3.870 1.00 0.23 H new ATOM 0 HA VAL A 179 -4.291 1.549 2.076 1.00 0.22 H new ATOM 0 HB VAL A 179 -2.706 0.423 3.202 1.00 0.21 H new ATOM 0 HG11 VAL A 179 -1.026 1.862 4.277 1.00 0.21 H new ATOM 0 HG12 VAL A 179 -1.651 2.577 2.772 1.00 0.21 H new ATOM 0 HG13 VAL A 179 -2.215 3.184 4.348 1.00 0.21 H new ATOM 0 HG21 VAL A 179 -2.430 0.346 5.609 1.00 0.24 H new ATOM 0 HG22 VAL A 179 -3.694 1.585 5.793 1.00 0.24 H new ATOM 0 HG23 VAL A 179 -4.100 -0.005 5.105 1.00 0.24 H new ATOM 910 N ASN A 180 -6.064 2.208 4.728 1.00 0.25 N ATOM 911 CA ASN A 180 -7.401 1.951 5.277 1.00 0.27 C ATOM 912 C ASN A 180 -8.421 2.051 4.158 1.00 0.27 C ATOM 913 O ASN A 180 -9.600 1.779 4.340 1.00 0.30 O ATOM 914 CB ASN A 180 -7.766 2.951 6.380 1.00 0.31 C ATOM 915 CG ASN A 180 -7.341 2.501 7.764 1.00 0.77 C ATOM 916 OD1 ASN A 180 -8.074 1.786 8.447 1.00 1.41 O ATOM 917 ND2 ASN A 180 -6.168 2.928 8.196 1.00 1.30 N ATOM 0 H ASN A 180 -5.591 3.021 5.123 1.00 0.25 H new ATOM 0 HA ASN A 180 -7.402 0.953 5.715 1.00 0.27 H new ATOM 0 HB2 ASN A 180 -7.300 3.911 6.159 1.00 0.31 H new ATOM 0 HB3 ASN A 180 -8.844 3.111 6.373 1.00 0.31 H new ATOM 0 HD21 ASN A 180 -5.841 2.666 9.126 1.00 1.30 H new ATOM 0 HD22 ASN A 180 -5.589 3.519 7.600 1.00 1.30 H new ATOM 924 N ILE A 181 -7.944 2.538 3.027 1.00 0.25 N ATOM 925 CA ILE A 181 -8.684 2.544 1.784 1.00 0.29 C ATOM 926 C ILE A 181 -8.270 1.353 0.915 1.00 0.27 C ATOM 927 O ILE A 181 -9.106 0.596 0.450 1.00 0.36 O ATOM 928 CB ILE A 181 -8.398 3.844 1.010 1.00 0.35 C ATOM 929 CG1 ILE A 181 -8.004 4.944 1.973 1.00 0.49 C ATOM 930 CG2 ILE A 181 -9.605 4.296 0.242 1.00 0.40 C ATOM 931 CD1 ILE A 181 -9.146 5.427 2.845 1.00 1.14 C ATOM 0 H ILE A 181 -7.013 2.948 2.948 1.00 0.25 H new ATOM 0 HA ILE A 181 -9.747 2.475 2.016 1.00 0.29 H new ATOM 0 HB ILE A 181 -7.586 3.640 0.313 1.00 0.35 H new ATOM 0 HG12 ILE A 181 -7.198 4.584 2.612 1.00 0.49 H new ATOM 0 HG13 ILE A 181 -7.609 5.787 1.406 1.00 0.49 H new ATOM 0 HG21 ILE A 181 -9.372 5.216 -0.294 1.00 0.40 H new ATOM 0 HG22 ILE A 181 -9.893 3.524 -0.471 1.00 0.40 H new ATOM 0 HG23 ILE A 181 -10.429 4.477 0.932 1.00 0.40 H new ATOM 0 HD11 ILE A 181 -8.789 6.214 3.509 1.00 1.14 H new ATOM 0 HD12 ILE A 181 -9.945 5.818 2.215 1.00 1.14 H new ATOM 0 HD13 ILE A 181 -9.527 4.596 3.439 1.00 1.14 H new ATOM 943 N THR A 182 -6.960 1.164 0.777 1.00 0.20 N ATOM 944 CA THR A 182 -6.387 0.270 -0.228 1.00 0.20 C ATOM 945 C THR A 182 -6.542 -1.172 0.145 1.00 0.24 C ATOM 946 O THR A 182 -7.021 -2.000 -0.635 1.00 0.26 O ATOM 947 CB THR A 182 -4.886 0.527 -0.434 1.00 0.20 C ATOM 948 OG1 THR A 182 -4.698 1.791 -1.029 1.00 0.22 O ATOM 949 CG2 THR A 182 -4.272 -0.532 -1.336 1.00 0.26 C ATOM 0 H THR A 182 -6.263 1.627 1.360 1.00 0.20 H new ATOM 0 HA THR A 182 -6.937 0.481 -1.145 1.00 0.20 H new ATOM 0 HB THR A 182 -4.400 0.491 0.541 1.00 0.20 H new ATOM 0 HG1 THR A 182 -4.795 2.490 -0.349 1.00 0.22 H new ATOM 0 HG21 THR A 182 -3.209 -0.327 -1.466 1.00 0.26 H new ATOM 0 HG22 THR A 182 -4.400 -1.515 -0.882 1.00 0.26 H new ATOM 0 HG23 THR A 182 -4.766 -0.514 -2.307 1.00 0.26 H new ATOM 957 N VAL A 183 -6.129 -1.447 1.354 1.00 0.28 N ATOM 958 CA VAL A 183 -6.127 -2.777 1.893 1.00 0.36 C ATOM 959 C VAL A 183 -7.557 -3.228 2.107 1.00 0.44 C ATOM 960 O VAL A 183 -7.827 -4.265 2.685 1.00 0.74 O ATOM 961 CB VAL A 183 -5.302 -2.845 3.190 1.00 0.34 C ATOM 962 CG1 VAL A 183 -4.131 -1.902 3.096 1.00 0.26 C ATOM 963 CG2 VAL A 183 -6.126 -2.551 4.430 1.00 0.40 C ATOM 0 H VAL A 183 -5.779 -0.740 2.001 1.00 0.28 H new ATOM 0 HA VAL A 183 -5.651 -3.457 1.186 1.00 0.36 H new ATOM 0 HB VAL A 183 -4.944 -3.869 3.295 1.00 0.34 H new ATOM 0 HG11 VAL A 183 -3.549 -1.952 4.016 1.00 0.26 H new ATOM 0 HG12 VAL A 183 -3.502 -2.186 2.252 1.00 0.26 H new ATOM 0 HG13 VAL A 183 -4.494 -0.884 2.952 1.00 0.26 H new ATOM 0 HG21 VAL A 183 -5.490 -2.614 5.313 1.00 0.40 H new ATOM 0 HG22 VAL A 183 -6.548 -1.549 4.357 1.00 0.40 H new ATOM 0 HG23 VAL A 183 -6.933 -3.279 4.512 1.00 0.40 H new ATOM 973 N LYS A 184 -8.476 -2.366 1.722 1.00 0.32 N ATOM 974 CA LYS A 184 -9.876 -2.673 1.794 1.00 0.34 C ATOM 975 C LYS A 184 -10.348 -3.203 0.452 1.00 0.35 C ATOM 976 O LYS A 184 -10.618 -4.386 0.288 1.00 0.37 O ATOM 977 CB LYS A 184 -10.642 -1.408 2.147 1.00 0.38 C ATOM 978 CG LYS A 184 -10.271 -0.824 3.497 1.00 0.43 C ATOM 979 CD LYS A 184 -9.418 -1.766 4.304 1.00 0.76 C ATOM 980 CE LYS A 184 -9.337 -1.393 5.771 1.00 0.60 C ATOM 981 NZ LYS A 184 -10.657 -1.474 6.446 1.00 1.00 N ATOM 0 H LYS A 184 -8.267 -1.438 1.353 1.00 0.32 H new ATOM 0 HA LYS A 184 -10.051 -3.431 2.558 1.00 0.34 H new ATOM 0 HB2 LYS A 184 -10.463 -0.659 1.376 1.00 0.38 H new ATOM 0 HB3 LYS A 184 -11.710 -1.626 2.137 1.00 0.38 H new ATOM 0 HG2 LYS A 184 -9.736 0.115 3.351 1.00 0.43 H new ATOM 0 HG3 LYS A 184 -11.179 -0.591 4.053 1.00 0.43 H new ATOM 0 HD2 LYS A 184 -9.819 -2.776 4.214 1.00 0.76 H new ATOM 0 HD3 LYS A 184 -8.412 -1.784 3.885 1.00 0.76 H new ATOM 0 HE2 LYS A 184 -8.633 -2.056 6.274 1.00 0.60 H new ATOM 0 HE3 LYS A 184 -8.945 -0.380 5.865 1.00 0.60 H new ATOM 0 HZ1 LYS A 184 -10.517 -1.548 7.474 1.00 1.00 H new ATOM 0 HZ2 LYS A 184 -11.209 -0.619 6.232 1.00 1.00 H new ATOM 0 HZ3 LYS A 184 -11.170 -2.312 6.105 1.00 1.00 H new ATOM 995 N GLN A 185 -10.364 -2.306 -0.511 1.00 0.38 N ATOM 996 CA GLN A 185 -10.681 -2.606 -1.904 1.00 0.49 C ATOM 997 C GLN A 185 -10.059 -3.930 -2.353 1.00 0.51 C ATOM 998 O GLN A 185 -10.688 -4.736 -3.031 1.00 0.64 O ATOM 999 CB GLN A 185 -10.121 -1.459 -2.741 1.00 0.60 C ATOM 1000 CG GLN A 185 -10.199 -0.129 -2.002 1.00 0.78 C ATOM 1001 CD GLN A 185 -11.566 0.520 -2.074 1.00 1.38 C ATOM 1002 OE1 GLN A 185 -12.191 0.439 -3.232 1.00 1.83 O flip ATOM 1003 NE2 GLN A 185 -12.024 1.147 -1.117 1.00 2.13 N flip ATOM 0 H GLN A 185 -10.153 -1.321 -0.350 1.00 0.38 H new ATOM 0 HA GLN A 185 -11.759 -2.706 -2.026 1.00 0.49 H new ATOM 0 HB2 GLN A 185 -9.084 -1.671 -3.000 1.00 0.60 H new ATOM 0 HB3 GLN A 185 -10.675 -1.388 -3.677 1.00 0.60 H new ATOM 0 HG2 GLN A 185 -9.934 -0.287 -0.956 1.00 0.78 H new ATOM 0 HG3 GLN A 185 -9.458 0.554 -2.419 1.00 0.78 H new ATOM 0 HE21 GLN A 185 -11.508 1.185 -0.238 1.00 2.13 H new ATOM 0 HE22 GLN A 185 -12.919 1.628 -1.204 1.00 2.13 H new ATOM 1012 N HIS A 186 -8.827 -4.145 -1.934 1.00 0.45 N ATOM 1013 CA HIS A 186 -8.029 -5.274 -2.384 1.00 0.54 C ATOM 1014 C HIS A 186 -8.049 -6.473 -1.438 1.00 0.69 C ATOM 1015 O HIS A 186 -7.420 -7.490 -1.711 1.00 1.31 O ATOM 1016 CB HIS A 186 -6.604 -4.820 -2.598 1.00 0.49 C ATOM 1017 CG HIS A 186 -6.347 -4.388 -4.007 1.00 0.53 C ATOM 1018 ND1 HIS A 186 -5.704 -5.180 -4.933 1.00 0.68 N ATOM 1019 CD2 HIS A 186 -6.669 -3.244 -4.657 1.00 0.54 C ATOM 1020 CE1 HIS A 186 -5.640 -4.544 -6.086 1.00 0.72 C ATOM 1021 NE2 HIS A 186 -6.219 -3.369 -5.945 1.00 0.66 N ATOM 0 H HIS A 186 -8.347 -3.539 -1.268 1.00 0.45 H new ATOM 0 HA HIS A 186 -8.480 -5.619 -3.315 1.00 0.54 H new ATOM 0 HB2 HIS A 186 -6.384 -3.994 -1.922 1.00 0.49 H new ATOM 0 HB3 HIS A 186 -5.924 -5.632 -2.341 1.00 0.49 H new ATOM 0 HD1 HIS A 186 -5.335 -6.114 -4.754 1.00 0.68 H new ATOM 0 HD2 HIS A 186 -7.184 -2.392 -4.238 1.00 0.54 H new ATOM 0 HE1 HIS A 186 -5.190 -4.922 -6.992 1.00 0.72 H new ATOM 1030 N THR A 187 -8.751 -6.366 -0.340 1.00 0.38 N ATOM 1031 CA THR A 187 -8.595 -7.322 0.737 1.00 0.45 C ATOM 1032 C THR A 187 -9.945 -7.658 1.373 1.00 0.54 C ATOM 1033 O THR A 187 -10.024 -8.288 2.432 1.00 0.83 O ATOM 1034 CB THR A 187 -7.624 -6.733 1.773 1.00 0.57 C ATOM 1035 OG1 THR A 187 -6.445 -6.273 1.101 1.00 1.63 O ATOM 1036 CG2 THR A 187 -7.232 -7.714 2.862 1.00 0.88 C ATOM 0 H THR A 187 -9.435 -5.631 -0.164 1.00 0.38 H new ATOM 0 HA THR A 187 -8.189 -8.254 0.345 1.00 0.45 H new ATOM 0 HB THR A 187 -8.145 -5.912 2.266 1.00 0.57 H new ATOM 0 HG1 THR A 187 -5.658 -6.462 1.654 1.00 1.63 H new ATOM 0 HG21 THR A 187 -6.546 -7.231 3.557 1.00 0.88 H new ATOM 0 HG22 THR A 187 -8.124 -8.038 3.398 1.00 0.88 H new ATOM 0 HG23 THR A 187 -6.744 -8.580 2.414 1.00 0.88 H new ATOM 1044 N VAL A 188 -11.022 -7.271 0.704 1.00 0.41 N ATOM 1045 CA VAL A 188 -12.356 -7.512 1.236 1.00 0.46 C ATOM 1046 C VAL A 188 -13.245 -8.206 0.205 1.00 0.45 C ATOM 1047 O VAL A 188 -14.430 -8.452 0.437 1.00 0.57 O ATOM 1048 CB VAL A 188 -12.992 -6.191 1.703 1.00 0.51 C ATOM 1049 CG1 VAL A 188 -11.994 -5.432 2.574 1.00 0.53 C ATOM 1050 CG2 VAL A 188 -13.431 -5.344 0.514 1.00 0.49 C ATOM 0 H VAL A 188 -11.000 -6.794 -0.198 1.00 0.41 H new ATOM 0 HA VAL A 188 -12.264 -8.177 2.095 1.00 0.46 H new ATOM 0 HB VAL A 188 -13.883 -6.413 2.290 1.00 0.51 H new ATOM 0 HG11 VAL A 188 -12.441 -4.495 2.907 1.00 0.53 H new ATOM 0 HG12 VAL A 188 -11.733 -6.038 3.441 1.00 0.53 H new ATOM 0 HG13 VAL A 188 -11.094 -5.220 1.996 1.00 0.53 H new ATOM 0 HG21 VAL A 188 -13.877 -4.416 0.873 1.00 0.49 H new ATOM 0 HG22 VAL A 188 -12.566 -5.114 -0.108 1.00 0.49 H new ATOM 0 HG23 VAL A 188 -14.164 -5.895 -0.074 1.00 0.49 H new ATOM 1060 N THR A 189 -12.640 -8.529 -0.925 1.00 0.38 N ATOM 1061 CA THR A 189 -13.295 -9.224 -2.027 1.00 0.41 C ATOM 1062 C THR A 189 -12.214 -9.696 -2.981 1.00 0.34 C ATOM 1063 O THR A 189 -12.245 -10.813 -3.495 1.00 0.35 O ATOM 1064 CB THR A 189 -14.296 -8.324 -2.784 1.00 0.50 C ATOM 1065 OG1 THR A 189 -15.440 -8.054 -1.966 1.00 0.64 O ATOM 1066 CG2 THR A 189 -14.738 -8.970 -4.090 1.00 0.51 C ATOM 0 H THR A 189 -11.660 -8.313 -1.109 1.00 0.38 H new ATOM 0 HA THR A 189 -13.868 -10.058 -1.622 1.00 0.41 H new ATOM 0 HB THR A 189 -13.791 -7.387 -3.017 1.00 0.50 H new ATOM 0 HG1 THR A 189 -15.288 -8.407 -1.065 1.00 0.64 H new ATOM 0 HG21 THR A 189 -15.442 -8.313 -4.601 1.00 0.51 H new ATOM 0 HG22 THR A 189 -13.869 -9.135 -4.727 1.00 0.51 H new ATOM 0 HG23 THR A 189 -15.220 -9.925 -3.879 1.00 0.51 H new ATOM 1074 N THR A 190 -11.245 -8.818 -3.187 1.00 0.32 N ATOM 1075 CA THR A 190 -10.025 -9.157 -3.886 1.00 0.34 C ATOM 1076 C THR A 190 -9.274 -10.263 -3.141 1.00 0.34 C ATOM 1077 O THR A 190 -8.479 -11.002 -3.724 1.00 0.42 O ATOM 1078 CB THR A 190 -9.157 -7.906 -4.018 1.00 0.39 C ATOM 1079 OG1 THR A 190 -9.824 -6.941 -4.840 1.00 0.54 O ATOM 1080 CG2 THR A 190 -7.794 -8.227 -4.595 1.00 0.55 C ATOM 0 H THR A 190 -11.287 -7.849 -2.872 1.00 0.32 H new ATOM 0 HA THR A 190 -10.267 -9.529 -4.881 1.00 0.34 H new ATOM 0 HB THR A 190 -9.003 -7.496 -3.020 1.00 0.39 H new ATOM 0 HG1 THR A 190 -10.253 -6.268 -4.272 1.00 0.54 H new ATOM 0 HG21 THR A 190 -7.207 -7.312 -4.673 1.00 0.55 H new ATOM 0 HG22 THR A 190 -7.280 -8.933 -3.943 1.00 0.55 H new ATOM 0 HG23 THR A 190 -7.913 -8.667 -5.585 1.00 0.55 H new ATOM 1088 N THR A 191 -9.542 -10.383 -1.850 1.00 0.34 N ATOM 1089 CA THR A 191 -9.037 -11.496 -1.080 1.00 0.47 C ATOM 1090 C THR A 191 -9.860 -12.740 -1.356 1.00 0.35 C ATOM 1091 O THR A 191 -9.343 -13.802 -1.671 1.00 0.34 O ATOM 1092 CB THR A 191 -9.098 -11.215 0.419 1.00 0.83 C ATOM 1093 OG1 THR A 191 -10.242 -10.402 0.709 1.00 1.66 O ATOM 1094 CG2 THR A 191 -7.826 -10.549 0.895 1.00 1.23 C ATOM 0 H THR A 191 -10.107 -9.721 -1.318 1.00 0.34 H new ATOM 0 HA THR A 191 -7.999 -11.646 -1.377 1.00 0.47 H new ATOM 0 HB THR A 191 -9.193 -12.161 0.953 1.00 0.83 H new ATOM 0 HG1 THR A 191 -10.469 -10.483 1.659 1.00 1.66 H new ATOM 0 HG21 THR A 191 -7.894 -10.359 1.966 1.00 1.23 H new ATOM 0 HG22 THR A 191 -6.977 -11.202 0.695 1.00 1.23 H new ATOM 0 HG23 THR A 191 -7.690 -9.605 0.367 1.00 1.23 H new ATOM 1102 N THR A 192 -11.165 -12.573 -1.275 1.00 0.46 N ATOM 1103 CA THR A 192 -12.091 -13.685 -1.333 1.00 0.60 C ATOM 1104 C THR A 192 -12.400 -14.116 -2.766 1.00 0.59 C ATOM 1105 O THR A 192 -13.406 -14.779 -3.015 1.00 0.73 O ATOM 1106 CB THR A 192 -13.394 -13.322 -0.612 1.00 0.76 C ATOM 1107 OG1 THR A 192 -13.885 -12.070 -1.108 1.00 0.69 O ATOM 1108 CG2 THR A 192 -13.166 -13.220 0.887 1.00 0.90 C ATOM 0 H THR A 192 -11.613 -11.663 -1.167 1.00 0.46 H new ATOM 0 HA THR A 192 -11.610 -14.527 -0.835 1.00 0.60 H new ATOM 0 HB THR A 192 -14.127 -14.106 -0.801 1.00 0.76 H new ATOM 0 HG1 THR A 192 -14.719 -11.840 -0.647 1.00 0.69 H new ATOM 0 HG21 THR A 192 -14.103 -12.962 1.381 1.00 0.90 H new ATOM 0 HG22 THR A 192 -12.808 -14.177 1.266 1.00 0.90 H new ATOM 0 HG23 THR A 192 -12.424 -12.448 1.090 1.00 0.90 H new ATOM 1116 N LYS A 193 -11.525 -13.763 -3.704 1.00 0.51 N ATOM 1117 CA LYS A 193 -11.686 -14.209 -5.083 1.00 0.58 C ATOM 1118 C LYS A 193 -10.977 -15.539 -5.286 1.00 0.69 C ATOM 1119 O LYS A 193 -10.662 -15.934 -6.408 1.00 0.82 O ATOM 1120 CB LYS A 193 -11.200 -13.146 -6.090 1.00 0.53 C ATOM 1121 CG LYS A 193 -9.809 -12.574 -5.833 1.00 0.45 C ATOM 1122 CD LYS A 193 -8.693 -13.555 -6.153 1.00 0.53 C ATOM 1123 CE LYS A 193 -7.328 -12.911 -5.981 1.00 0.57 C ATOM 1124 NZ LYS A 193 -6.217 -13.874 -6.224 1.00 1.12 N ATOM 0 H LYS A 193 -10.707 -13.177 -3.537 1.00 0.51 H new ATOM 0 HA LYS A 193 -12.750 -14.353 -5.273 1.00 0.58 H new ATOM 0 HB2 LYS A 193 -11.213 -13.585 -7.088 1.00 0.53 H new ATOM 0 HB3 LYS A 193 -11.915 -12.323 -6.095 1.00 0.53 H new ATOM 0 HG2 LYS A 193 -9.676 -11.674 -6.433 1.00 0.45 H new ATOM 0 HG3 LYS A 193 -9.733 -12.275 -4.788 1.00 0.45 H new ATOM 0 HD2 LYS A 193 -8.772 -14.425 -5.501 1.00 0.53 H new ATOM 0 HD3 LYS A 193 -8.803 -13.913 -7.177 1.00 0.53 H new ATOM 0 HE2 LYS A 193 -7.235 -12.071 -6.669 1.00 0.57 H new ATOM 0 HE3 LYS A 193 -7.243 -12.508 -4.972 1.00 0.57 H new ATOM 0 HZ1 LYS A 193 -5.559 -13.856 -5.419 1.00 1.12 H new ATOM 0 HZ2 LYS A 193 -6.606 -14.833 -6.332 1.00 1.12 H new ATOM 0 HZ3 LYS A 193 -5.709 -13.607 -7.091 1.00 1.12 H new ATOM 1138 N GLY A 194 -10.763 -16.233 -4.183 1.00 0.70 N ATOM 1139 CA GLY A 194 -10.035 -17.475 -4.208 1.00 0.81 C ATOM 1140 C GLY A 194 -8.613 -17.277 -3.739 1.00 0.75 C ATOM 1141 O GLY A 194 -7.739 -18.101 -3.994 1.00 0.86 O ATOM 0 H GLY A 194 -11.087 -15.951 -3.258 1.00 0.70 H new ATOM 0 HA2 GLY A 194 -10.533 -18.206 -3.571 1.00 0.81 H new ATOM 0 HA3 GLY A 194 -10.035 -17.881 -5.220 1.00 0.81 H new ATOM 1145 N GLU A 195 -8.387 -16.164 -3.057 1.00 0.63 N ATOM 1146 CA GLU A 195 -7.077 -15.840 -2.529 1.00 0.60 C ATOM 1147 C GLU A 195 -7.069 -16.079 -1.023 1.00 0.59 C ATOM 1148 O GLU A 195 -8.111 -16.002 -0.371 1.00 0.63 O ATOM 1149 CB GLU A 195 -6.717 -14.384 -2.872 1.00 0.64 C ATOM 1150 CG GLU A 195 -5.272 -14.038 -2.603 1.00 0.72 C ATOM 1151 CD GLU A 195 -4.335 -14.987 -3.303 1.00 0.84 C ATOM 1152 OE1 GLU A 195 -4.104 -14.809 -4.519 1.00 1.40 O ATOM 1153 OE2 GLU A 195 -3.852 -15.924 -2.646 1.00 1.29 O ATOM 0 H GLU A 195 -9.104 -15.466 -2.857 1.00 0.63 H new ATOM 0 HA GLU A 195 -6.323 -16.482 -2.983 1.00 0.60 H new ATOM 0 HB2 GLU A 195 -6.935 -14.203 -3.925 1.00 0.64 H new ATOM 0 HB3 GLU A 195 -7.355 -13.715 -2.295 1.00 0.64 H new ATOM 0 HG2 GLU A 195 -5.073 -13.019 -2.935 1.00 0.72 H new ATOM 0 HG3 GLU A 195 -5.084 -14.066 -1.530 1.00 0.72 H new ATOM 1160 N ASN A 196 -5.910 -16.396 -0.473 1.00 0.64 N ATOM 1161 CA ASN A 196 -5.819 -16.694 0.947 1.00 0.69 C ATOM 1162 C ASN A 196 -5.217 -15.542 1.697 1.00 0.63 C ATOM 1163 O ASN A 196 -4.065 -15.162 1.461 1.00 0.80 O ATOM 1164 CB ASN A 196 -4.966 -17.926 1.225 1.00 0.91 C ATOM 1165 CG ASN A 196 -5.558 -19.203 0.658 1.00 1.07 C ATOM 1166 OD1 ASN A 196 -6.323 -19.896 1.326 1.00 1.13 O ATOM 1167 ND2 ASN A 196 -5.209 -19.518 -0.578 1.00 1.99 N ATOM 0 H ASN A 196 -5.027 -16.454 -0.981 1.00 0.64 H new ATOM 0 HA ASN A 196 -6.839 -16.881 1.282 1.00 0.69 H new ATOM 0 HB2 ASN A 196 -3.973 -17.775 0.803 1.00 0.91 H new ATOM 0 HB3 ASN A 196 -4.841 -18.038 2.302 1.00 0.91 H new ATOM 0 HD21 ASN A 196 -5.578 -20.364 -1.012 1.00 1.99 H new ATOM 0 HD22 ASN A 196 -4.571 -18.915 -1.097 1.00 1.99 H new ATOM 1174 N PHE A 197 -5.973 -14.993 2.612 1.00 0.54 N ATOM 1175 CA PHE A 197 -5.431 -13.989 3.479 1.00 0.53 C ATOM 1176 C PHE A 197 -5.379 -14.491 4.899 1.00 0.56 C ATOM 1177 O PHE A 197 -6.158 -15.351 5.318 1.00 0.68 O ATOM 1178 CB PHE A 197 -6.154 -12.642 3.365 1.00 0.52 C ATOM 1179 CG PHE A 197 -7.605 -12.615 3.736 1.00 1.12 C ATOM 1180 CD1 PHE A 197 -8.497 -13.419 3.050 1.00 1.63 C ATOM 1181 CD2 PHE A 197 -8.079 -11.814 4.762 1.00 1.49 C ATOM 1182 CE1 PHE A 197 -9.836 -13.430 3.378 1.00 2.36 C ATOM 1183 CE2 PHE A 197 -9.420 -11.818 5.096 1.00 2.19 C ATOM 1184 CZ PHE A 197 -10.286 -12.501 4.448 1.00 2.61 C ATOM 0 H PHE A 197 -6.954 -15.223 2.772 1.00 0.54 H new ATOM 0 HA PHE A 197 -4.410 -13.795 3.150 1.00 0.53 H new ATOM 0 HB2 PHE A 197 -5.630 -11.922 3.994 1.00 0.52 H new ATOM 0 HB3 PHE A 197 -6.061 -12.294 2.336 1.00 0.52 H new ATOM 0 HD1 PHE A 197 -8.140 -14.046 2.247 1.00 1.63 H new ATOM 0 HD2 PHE A 197 -7.394 -11.180 5.306 1.00 1.49 H new ATOM 0 HE1 PHE A 197 -10.531 -14.088 2.877 1.00 2.36 H new ATOM 0 HE2 PHE A 197 -9.749 -11.223 5.935 1.00 2.19 H new ATOM 0 HZ PHE A 197 -11.337 -12.403 4.677 1.00 2.61 H new ATOM 1194 N THR A 198 -4.422 -13.961 5.607 1.00 0.55 N ATOM 1195 CA THR A 198 -4.100 -14.378 6.937 1.00 0.60 C ATOM 1196 C THR A 198 -3.324 -13.248 7.578 1.00 0.52 C ATOM 1197 O THR A 198 -2.877 -12.368 6.874 1.00 0.43 O ATOM 1198 CB THR A 198 -3.259 -15.682 6.956 1.00 0.74 C ATOM 1199 OG1 THR A 198 -2.922 -16.043 8.302 1.00 1.12 O ATOM 1200 CG2 THR A 198 -1.981 -15.521 6.147 1.00 0.78 C ATOM 0 H THR A 198 -3.829 -13.206 5.262 1.00 0.55 H new ATOM 0 HA THR A 198 -5.018 -14.597 7.483 1.00 0.60 H new ATOM 0 HB THR A 198 -3.864 -16.470 6.508 1.00 0.74 H new ATOM 0 HG1 THR A 198 -2.393 -16.868 8.297 1.00 1.12 H new ATOM 0 HG21 THR A 198 -1.411 -16.450 6.178 1.00 0.78 H new ATOM 0 HG22 THR A 198 -2.232 -15.283 5.113 1.00 0.78 H new ATOM 0 HG23 THR A 198 -1.382 -14.714 6.569 1.00 0.78 H new ATOM 1208 N GLU A 199 -3.164 -13.270 8.884 1.00 0.59 N ATOM 1209 CA GLU A 199 -2.387 -12.247 9.608 1.00 0.63 C ATOM 1210 C GLU A 199 -1.097 -11.879 8.856 1.00 0.55 C ATOM 1211 O GLU A 199 -0.609 -10.742 8.920 1.00 0.53 O ATOM 1212 CB GLU A 199 -2.035 -12.742 11.010 1.00 0.82 C ATOM 1213 CG GLU A 199 -1.445 -11.664 11.900 1.00 1.14 C ATOM 1214 CD GLU A 199 -0.791 -12.226 13.141 1.00 2.11 C ATOM 1215 OE1 GLU A 199 -1.515 -12.764 14.002 1.00 2.55 O ATOM 1216 OE2 GLU A 199 0.443 -12.123 13.272 1.00 2.91 O ATOM 0 H GLU A 199 -3.562 -13.990 9.487 1.00 0.59 H new ATOM 0 HA GLU A 199 -3.009 -11.355 9.680 1.00 0.63 H new ATOM 0 HB2 GLU A 199 -2.933 -13.141 11.482 1.00 0.82 H new ATOM 0 HB3 GLU A 199 -1.325 -13.565 10.929 1.00 0.82 H new ATOM 0 HG2 GLU A 199 -0.709 -11.093 11.333 1.00 1.14 H new ATOM 0 HG3 GLU A 199 -2.232 -10.969 12.192 1.00 1.14 H new ATOM 1223 N THR A 200 -0.569 -12.835 8.113 1.00 0.56 N ATOM 1224 CA THR A 200 0.628 -12.618 7.346 1.00 0.57 C ATOM 1225 C THR A 200 0.386 -11.757 6.099 1.00 0.44 C ATOM 1226 O THR A 200 1.283 -11.024 5.698 1.00 0.44 O ATOM 1227 CB THR A 200 1.260 -13.947 6.938 1.00 0.73 C ATOM 1228 OG1 THR A 200 1.329 -14.798 8.086 1.00 0.92 O ATOM 1229 CG2 THR A 200 2.653 -13.715 6.380 1.00 0.99 C ATOM 0 H THR A 200 -0.960 -13.774 8.029 1.00 0.56 H new ATOM 0 HA THR A 200 1.312 -12.072 7.995 1.00 0.57 H new ATOM 0 HB THR A 200 0.653 -14.418 6.165 1.00 0.73 H new ATOM 0 HG1 THR A 200 1.732 -15.655 7.834 1.00 0.92 H new ATOM 0 HG21 THR A 200 3.093 -14.670 6.093 1.00 0.99 H new ATOM 0 HG22 THR A 200 2.592 -13.066 5.506 1.00 0.99 H new ATOM 0 HG23 THR A 200 3.275 -13.242 7.140 1.00 0.99 H new ATOM 1237 N ASP A 201 -0.807 -11.816 5.485 1.00 0.41 N ATOM 1238 CA ASP A 201 -1.049 -10.998 4.292 1.00 0.36 C ATOM 1239 C ASP A 201 -1.289 -9.575 4.689 1.00 0.31 C ATOM 1240 O ASP A 201 -0.906 -8.642 3.992 1.00 0.34 O ATOM 1241 CB ASP A 201 -2.203 -11.460 3.407 1.00 0.45 C ATOM 1242 CG ASP A 201 -3.544 -10.952 3.878 1.00 0.92 C ATOM 1243 OD1 ASP A 201 -4.058 -11.470 4.879 1.00 1.27 O ATOM 1244 OD2 ASP A 201 -4.071 -10.033 3.255 1.00 1.49 O ATOM 0 H ASP A 201 -1.590 -12.398 5.782 1.00 0.41 H new ATOM 0 HA ASP A 201 -0.145 -11.106 3.692 1.00 0.36 H new ATOM 0 HB2 ASP A 201 -2.030 -11.120 2.386 1.00 0.45 H new ATOM 0 HB3 ASP A 201 -2.221 -12.550 3.382 1.00 0.45 H new ATOM 1249 N ILE A 202 -1.920 -9.432 5.817 1.00 0.30 N ATOM 1250 CA ILE A 202 -2.159 -8.146 6.411 1.00 0.32 C ATOM 1251 C ILE A 202 -0.875 -7.385 6.472 1.00 0.31 C ATOM 1252 O ILE A 202 -0.732 -6.329 5.882 1.00 0.34 O ATOM 1253 CB ILE A 202 -2.635 -8.317 7.841 1.00 0.41 C ATOM 1254 CG1 ILE A 202 -3.301 -9.660 7.980 1.00 0.48 C ATOM 1255 CG2 ILE A 202 -3.558 -7.201 8.258 1.00 0.54 C ATOM 1256 CD1 ILE A 202 -4.636 -9.784 7.255 1.00 0.53 C ATOM 0 H ILE A 202 -2.289 -10.214 6.359 1.00 0.30 H new ATOM 0 HA ILE A 202 -2.906 -7.623 5.813 1.00 0.32 H new ATOM 0 HB ILE A 202 -1.774 -8.272 8.508 1.00 0.41 H new ATOM 0 HG12 ILE A 202 -2.625 -10.427 7.603 1.00 0.48 H new ATOM 0 HG13 ILE A 202 -3.457 -9.866 9.039 1.00 0.48 H new ATOM 0 HG21 ILE A 202 -3.878 -7.359 9.288 1.00 0.54 H new ATOM 0 HG22 ILE A 202 -3.034 -6.248 8.183 1.00 0.54 H new ATOM 0 HG23 ILE A 202 -4.431 -7.188 7.605 1.00 0.54 H new ATOM 0 HD11 ILE A 202 -5.043 -10.783 7.410 1.00 0.53 H new ATOM 0 HD12 ILE A 202 -5.333 -9.044 7.647 1.00 0.53 H new ATOM 0 HD13 ILE A 202 -4.488 -9.614 6.189 1.00 0.53 H new ATOM 1268 N LYS A 203 0.083 -7.973 7.145 1.00 0.32 N ATOM 1269 CA LYS A 203 1.306 -7.282 7.417 1.00 0.35 C ATOM 1270 C LYS A 203 2.052 -7.001 6.141 1.00 0.30 C ATOM 1271 O LYS A 203 2.276 -5.856 5.840 1.00 0.31 O ATOM 1272 CB LYS A 203 2.157 -8.068 8.394 1.00 0.44 C ATOM 1273 CG LYS A 203 2.313 -9.513 8.015 1.00 0.49 C ATOM 1274 CD LYS A 203 3.714 -10.031 8.273 1.00 0.61 C ATOM 1275 CE LYS A 203 4.688 -9.541 7.213 1.00 0.77 C ATOM 1276 NZ LYS A 203 6.050 -10.108 7.425 1.00 1.14 N ATOM 0 H LYS A 203 0.035 -8.924 7.510 1.00 0.32 H new ATOM 0 HA LYS A 203 1.068 -6.324 7.880 1.00 0.35 H new ATOM 0 HB2 LYS A 203 3.143 -7.608 8.459 1.00 0.44 H new ATOM 0 HB3 LYS A 203 1.710 -8.006 9.386 1.00 0.44 H new ATOM 0 HG2 LYS A 203 1.598 -10.113 8.578 1.00 0.49 H new ATOM 0 HG3 LYS A 203 2.072 -9.637 6.959 1.00 0.49 H new ATOM 0 HD2 LYS A 203 4.049 -9.704 9.257 1.00 0.61 H new ATOM 0 HD3 LYS A 203 3.705 -11.121 8.285 1.00 0.61 H new ATOM 0 HE2 LYS A 203 4.325 -9.822 6.225 1.00 0.77 H new ATOM 0 HE3 LYS A 203 4.737 -8.452 7.237 1.00 0.77 H new ATOM 0 HZ1 LYS A 203 6.666 -9.838 6.632 1.00 1.14 H new ATOM 0 HZ2 LYS A 203 6.446 -9.737 8.312 1.00 1.14 H new ATOM 0 HZ3 LYS A 203 5.990 -11.145 7.479 1.00 1.14 H new ATOM 1290 N ILE A 204 2.397 -8.025 5.370 1.00 0.29 N ATOM 1291 CA ILE A 204 3.100 -7.813 4.120 1.00 0.28 C ATOM 1292 C ILE A 204 2.423 -6.753 3.290 1.00 0.24 C ATOM 1293 O ILE A 204 3.069 -5.884 2.750 1.00 0.27 O ATOM 1294 CB ILE A 204 3.115 -9.073 3.278 1.00 0.28 C ATOM 1295 CG1 ILE A 204 1.709 -9.611 3.282 1.00 0.26 C ATOM 1296 CG2 ILE A 204 4.128 -10.076 3.791 1.00 0.38 C ATOM 1297 CD1 ILE A 204 1.467 -10.796 2.399 1.00 0.28 C ATOM 0 H ILE A 204 2.201 -9.002 5.590 1.00 0.29 H new ATOM 0 HA ILE A 204 4.113 -7.512 4.388 1.00 0.28 H new ATOM 0 HB ILE A 204 3.429 -8.859 2.256 1.00 0.28 H new ATOM 0 HG12 ILE A 204 1.446 -9.883 4.304 1.00 0.26 H new ATOM 0 HG13 ILE A 204 1.032 -8.811 2.980 1.00 0.26 H new ATOM 0 HG21 ILE A 204 4.110 -10.966 3.162 1.00 0.38 H new ATOM 0 HG22 ILE A 204 5.124 -9.633 3.764 1.00 0.38 H new ATOM 0 HG23 ILE A 204 3.881 -10.351 4.816 1.00 0.38 H new ATOM 0 HD11 ILE A 204 0.424 -11.101 2.478 1.00 0.28 H new ATOM 0 HD12 ILE A 204 1.691 -10.531 1.366 1.00 0.28 H new ATOM 0 HD13 ILE A 204 2.110 -11.619 2.710 1.00 0.28 H new ATOM 1309 N MET A 205 1.119 -6.818 3.192 1.00 0.21 N ATOM 1310 CA MET A 205 0.436 -5.968 2.271 1.00 0.23 C ATOM 1311 C MET A 205 0.242 -4.580 2.827 1.00 0.22 C ATOM 1312 O MET A 205 0.669 -3.599 2.217 1.00 0.22 O ATOM 1313 CB MET A 205 -0.896 -6.561 1.870 1.00 0.29 C ATOM 1314 CG MET A 205 -1.989 -5.521 1.747 1.00 0.29 C ATOM 1315 SD MET A 205 -3.630 -6.217 1.948 1.00 0.41 S ATOM 1316 CE MET A 205 -3.459 -6.863 3.606 1.00 0.35 C ATOM 0 H MET A 205 0.523 -7.444 3.733 1.00 0.21 H new ATOM 0 HA MET A 205 1.065 -5.889 1.384 1.00 0.23 H new ATOM 0 HB2 MET A 205 -0.786 -7.079 0.918 1.00 0.29 H new ATOM 0 HB3 MET A 205 -1.193 -7.308 2.607 1.00 0.29 H new ATOM 0 HG2 MET A 205 -1.833 -4.745 2.497 1.00 0.29 H new ATOM 0 HG3 MET A 205 -1.919 -5.040 0.771 1.00 0.29 H new ATOM 0 HE1 MET A 205 -3.567 -7.947 3.587 1.00 0.35 H new ATOM 0 HE2 MET A 205 -2.476 -6.603 3.998 1.00 0.35 H new ATOM 0 HE3 MET A 205 -4.230 -6.433 4.245 1.00 0.35 H new ATOM 1326 N GLU A 206 -0.407 -4.501 3.980 1.00 0.23 N ATOM 1327 CA GLU A 206 -0.724 -3.226 4.571 1.00 0.25 C ATOM 1328 C GLU A 206 0.553 -2.482 4.818 1.00 0.24 C ATOM 1329 O GLU A 206 0.605 -1.293 4.640 1.00 0.26 O ATOM 1330 CB GLU A 206 -1.489 -3.388 5.877 1.00 0.29 C ATOM 1331 CG GLU A 206 -2.716 -4.272 5.765 1.00 0.37 C ATOM 1332 CD GLU A 206 -3.583 -4.187 7.002 1.00 0.57 C ATOM 1333 OE1 GLU A 206 -3.034 -4.076 8.117 1.00 1.00 O ATOM 1334 OE2 GLU A 206 -4.824 -4.259 6.874 1.00 1.25 O ATOM 0 H GLU A 206 -0.721 -5.309 4.518 1.00 0.23 H new ATOM 0 HA GLU A 206 -1.363 -2.671 3.884 1.00 0.25 H new ATOM 0 HB2 GLU A 206 -0.820 -3.806 6.629 1.00 0.29 H new ATOM 0 HB3 GLU A 206 -1.794 -2.404 6.233 1.00 0.29 H new ATOM 0 HG2 GLU A 206 -3.298 -3.977 4.892 1.00 0.37 H new ATOM 0 HG3 GLU A 206 -2.407 -5.305 5.608 1.00 0.37 H new ATOM 1341 N ARG A 207 1.590 -3.216 5.183 1.00 0.24 N ATOM 1342 CA ARG A 207 2.895 -2.627 5.409 1.00 0.25 C ATOM 1343 C ARG A 207 3.406 -1.968 4.131 1.00 0.26 C ATOM 1344 O ARG A 207 3.785 -0.806 4.152 1.00 0.35 O ATOM 1345 CB ARG A 207 3.888 -3.691 5.896 1.00 0.25 C ATOM 1346 CG ARG A 207 4.649 -4.369 4.766 1.00 0.25 C ATOM 1347 CD ARG A 207 5.366 -5.593 5.230 1.00 0.32 C ATOM 1348 NE ARG A 207 6.411 -5.300 6.203 1.00 0.47 N ATOM 1349 CZ ARG A 207 6.315 -5.562 7.505 1.00 0.69 C ATOM 1350 NH1 ARG A 207 5.159 -5.970 8.018 1.00 0.87 N ATOM 1351 NH2 ARG A 207 7.360 -5.377 8.300 1.00 0.89 N ATOM 0 H ARG A 207 1.551 -4.225 5.329 1.00 0.24 H new ATOM 0 HA ARG A 207 2.802 -1.864 6.182 1.00 0.25 H new ATOM 0 HB2 ARG A 207 4.601 -3.227 6.577 1.00 0.25 H new ATOM 0 HB3 ARG A 207 3.348 -4.447 6.466 1.00 0.25 H new ATOM 0 HG2 ARG A 207 3.954 -4.636 3.970 1.00 0.25 H new ATOM 0 HG3 ARG A 207 5.367 -3.668 4.341 1.00 0.25 H new ATOM 0 HD2 ARG A 207 4.648 -6.284 5.672 1.00 0.32 H new ATOM 0 HD3 ARG A 207 5.807 -6.098 4.371 1.00 0.32 H new ATOM 0 HE ARG A 207 7.270 -4.867 5.865 1.00 0.47 H new ATOM 0 HH11 ARG A 207 4.345 -6.083 7.414 1.00 0.87 H new ATOM 0 HH12 ARG A 207 5.086 -6.171 9.015 1.00 0.87 H new ATOM 0 HH21 ARG A 207 8.240 -5.033 7.914 1.00 0.89 H new ATOM 0 HH22 ARG A 207 7.284 -5.578 9.297 1.00 0.89 H new ATOM 1365 N VAL A 208 3.389 -2.698 3.013 1.00 0.23 N ATOM 1366 CA VAL A 208 3.964 -2.191 1.789 1.00 0.23 C ATOM 1367 C VAL A 208 3.135 -1.053 1.275 1.00 0.25 C ATOM 1368 O VAL A 208 3.647 -0.008 0.893 1.00 0.34 O ATOM 1369 CB VAL A 208 4.072 -3.267 0.683 1.00 0.22 C ATOM 1370 CG1 VAL A 208 4.790 -2.701 -0.495 1.00 0.28 C ATOM 1371 CG2 VAL A 208 4.803 -4.496 1.167 1.00 0.22 C ATOM 0 H VAL A 208 2.985 -3.632 2.941 1.00 0.23 H new ATOM 0 HA VAL A 208 4.975 -1.861 2.030 1.00 0.23 H new ATOM 0 HB VAL A 208 3.060 -3.562 0.406 1.00 0.22 H new ATOM 0 HG11 VAL A 208 4.866 -3.460 -1.274 1.00 0.28 H new ATOM 0 HG12 VAL A 208 4.240 -1.841 -0.878 1.00 0.28 H new ATOM 0 HG13 VAL A 208 5.790 -2.387 -0.195 1.00 0.28 H new ATOM 0 HG21 VAL A 208 4.858 -5.228 0.361 1.00 0.22 H new ATOM 0 HG22 VAL A 208 5.811 -4.221 1.477 1.00 0.22 H new ATOM 0 HG23 VAL A 208 4.268 -4.928 2.013 1.00 0.22 H new ATOM 1381 N VAL A 209 1.851 -1.272 1.305 1.00 0.22 N ATOM 1382 CA VAL A 209 0.901 -0.308 0.845 1.00 0.25 C ATOM 1383 C VAL A 209 0.917 0.933 1.756 1.00 0.27 C ATOM 1384 O VAL A 209 0.830 2.067 1.283 1.00 0.32 O ATOM 1385 CB VAL A 209 -0.480 -0.999 0.749 1.00 0.31 C ATOM 1386 CG1 VAL A 209 -1.523 -0.316 1.586 1.00 1.11 C ATOM 1387 CG2 VAL A 209 -0.923 -1.101 -0.700 1.00 1.19 C ATOM 0 H VAL A 209 1.433 -2.135 1.654 1.00 0.22 H new ATOM 0 HA VAL A 209 1.155 0.060 -0.149 1.00 0.25 H new ATOM 0 HB VAL A 209 -0.367 -2.005 1.153 1.00 0.31 H new ATOM 0 HG11 VAL A 209 -2.473 -0.840 1.483 1.00 1.11 H new ATOM 0 HG12 VAL A 209 -1.215 -0.326 2.631 1.00 1.11 H new ATOM 0 HG13 VAL A 209 -1.640 0.715 1.252 1.00 1.11 H new ATOM 0 HG21 VAL A 209 -1.896 -1.589 -0.749 1.00 1.19 H new ATOM 0 HG22 VAL A 209 -0.996 -0.102 -1.129 1.00 1.19 H new ATOM 0 HG23 VAL A 209 -0.195 -1.685 -1.263 1.00 1.19 H new ATOM 1397 N GLU A 210 1.090 0.708 3.055 1.00 0.26 N ATOM 1398 CA GLU A 210 1.219 1.795 4.026 1.00 0.29 C ATOM 1399 C GLU A 210 2.516 2.571 3.843 1.00 0.29 C ATOM 1400 O GLU A 210 2.484 3.767 3.604 1.00 0.33 O ATOM 1401 CB GLU A 210 1.073 1.257 5.468 1.00 0.31 C ATOM 1402 CG GLU A 210 2.339 1.215 6.318 1.00 0.32 C ATOM 1403 CD GLU A 210 2.049 0.847 7.758 1.00 0.70 C ATOM 1404 OE1 GLU A 210 1.789 1.757 8.574 1.00 1.12 O ATOM 1405 OE2 GLU A 210 2.087 -0.360 8.087 1.00 1.19 O ATOM 0 H GLU A 210 1.145 -0.225 3.464 1.00 0.26 H new ATOM 0 HA GLU A 210 0.407 2.500 3.845 1.00 0.29 H new ATOM 0 HB2 GLU A 210 0.336 1.870 5.986 1.00 0.31 H new ATOM 0 HB3 GLU A 210 0.666 0.247 5.414 1.00 0.31 H new ATOM 0 HG2 GLU A 210 3.036 0.492 5.893 1.00 0.32 H new ATOM 0 HG3 GLU A 210 2.829 2.188 6.285 1.00 0.32 H new ATOM 1412 N GLN A 211 3.656 1.902 3.872 1.00 0.27 N ATOM 1413 CA GLN A 211 4.909 2.625 3.929 1.00 0.31 C ATOM 1414 C GLN A 211 5.218 3.194 2.561 1.00 0.31 C ATOM 1415 O GLN A 211 6.147 3.981 2.382 1.00 0.34 O ATOM 1416 CB GLN A 211 6.066 1.749 4.440 1.00 0.34 C ATOM 1417 CG GLN A 211 6.294 0.465 3.655 1.00 0.39 C ATOM 1418 CD GLN A 211 7.717 -0.031 3.777 1.00 0.97 C ATOM 1419 OE1 GLN A 211 8.580 0.311 2.970 1.00 1.55 O ATOM 1420 NE2 GLN A 211 7.973 -0.833 4.796 1.00 1.56 N ATOM 0 H GLN A 211 3.738 0.885 3.857 1.00 0.27 H new ATOM 0 HA GLN A 211 4.803 3.439 4.647 1.00 0.31 H new ATOM 0 HB2 GLN A 211 6.984 2.337 4.420 1.00 0.34 H new ATOM 0 HB3 GLN A 211 5.875 1.491 5.482 1.00 0.34 H new ATOM 0 HG2 GLN A 211 5.610 -0.305 4.013 1.00 0.39 H new ATOM 0 HG3 GLN A 211 6.059 0.636 2.604 1.00 0.39 H new ATOM 0 HE21 GLN A 211 7.227 -1.091 5.442 1.00 1.56 H new ATOM 0 HE22 GLN A 211 8.917 -1.194 4.937 1.00 1.56 H new ATOM 1429 N MET A 212 4.409 2.805 1.593 1.00 0.30 N ATOM 1430 CA MET A 212 4.544 3.319 0.260 1.00 0.31 C ATOM 1431 C MET A 212 3.642 4.524 0.056 1.00 0.30 C ATOM 1432 O MET A 212 3.994 5.416 -0.704 1.00 0.33 O ATOM 1433 CB MET A 212 4.250 2.238 -0.751 1.00 0.34 C ATOM 1434 CG MET A 212 5.197 2.248 -1.928 1.00 1.17 C ATOM 1435 SD MET A 212 4.801 3.547 -3.100 1.00 1.65 S ATOM 1436 CE MET A 212 3.054 3.213 -3.289 1.00 0.37 C ATOM 0 H MET A 212 3.652 2.132 1.714 1.00 0.30 H new ATOM 0 HA MET A 212 5.573 3.647 0.115 1.00 0.31 H new ATOM 0 HB2 MET A 212 4.302 1.266 -0.260 1.00 0.34 H new ATOM 0 HB3 MET A 212 3.229 2.357 -1.114 1.00 0.34 H new ATOM 0 HG2 MET A 212 6.218 2.382 -1.570 1.00 1.17 H new ATOM 0 HG3 MET A 212 5.159 1.282 -2.431 1.00 1.17 H new ATOM 0 HE1 MET A 212 2.820 3.087 -4.346 1.00 0.37 H new ATOM 0 HE2 MET A 212 2.797 2.301 -2.750 1.00 0.37 H new ATOM 0 HE3 MET A 212 2.479 4.047 -2.886 1.00 0.37 H new ATOM 1446 N CYS A 213 2.487 4.589 0.738 1.00 0.28 N ATOM 1447 CA CYS A 213 1.749 5.847 0.726 1.00 0.27 C ATOM 1448 C CYS A 213 2.581 6.869 1.480 1.00 0.25 C ATOM 1449 O CYS A 213 2.508 8.059 1.227 1.00 0.25 O ATOM 1450 CB CYS A 213 0.333 5.795 1.340 1.00 0.36 C ATOM 1451 SG CYS A 213 -0.570 7.379 1.075 1.00 0.42 S ATOM 0 H CYS A 213 2.068 3.829 1.274 1.00 0.28 H new ATOM 0 HA CYS A 213 1.590 6.106 -0.321 1.00 0.27 H new ATOM 0 HB2 CYS A 213 -0.229 4.974 0.894 1.00 0.36 H new ATOM 0 HB3 CYS A 213 0.405 5.589 2.408 1.00 0.36 H new ATOM 1456 N ILE A 214 3.386 6.368 2.412 1.00 0.25 N ATOM 1457 CA ILE A 214 4.313 7.193 3.169 1.00 0.27 C ATOM 1458 C ILE A 214 5.462 7.648 2.274 1.00 0.27 C ATOM 1459 O ILE A 214 5.948 8.776 2.379 1.00 0.29 O ATOM 1460 CB ILE A 214 4.853 6.420 4.394 1.00 0.30 C ATOM 1461 CG1 ILE A 214 4.256 6.972 5.691 1.00 0.33 C ATOM 1462 CG2 ILE A 214 6.361 6.478 4.447 1.00 0.31 C ATOM 1463 CD1 ILE A 214 4.682 6.216 6.932 1.00 0.36 C ATOM 0 H ILE A 214 3.412 5.379 2.661 1.00 0.25 H new ATOM 0 HA ILE A 214 3.781 8.074 3.529 1.00 0.27 H new ATOM 0 HB ILE A 214 4.552 5.378 4.290 1.00 0.30 H new ATOM 0 HG12 ILE A 214 4.546 8.017 5.797 1.00 0.33 H new ATOM 0 HG13 ILE A 214 3.169 6.948 5.618 1.00 0.33 H new ATOM 0 HG21 ILE A 214 6.716 5.927 5.318 1.00 0.31 H new ATOM 0 HG22 ILE A 214 6.774 6.032 3.542 1.00 0.31 H new ATOM 0 HG23 ILE A 214 6.683 7.517 4.519 1.00 0.31 H new ATOM 0 HD11 ILE A 214 4.218 6.666 7.810 1.00 0.36 H new ATOM 0 HD12 ILE A 214 4.368 5.175 6.850 1.00 0.36 H new ATOM 0 HD13 ILE A 214 5.767 6.261 7.031 1.00 0.36 H new ATOM 1475 N THR A 215 5.895 6.761 1.391 1.00 0.28 N ATOM 1476 CA THR A 215 6.892 7.110 0.406 1.00 0.30 C ATOM 1477 C THR A 215 6.284 8.105 -0.561 1.00 0.30 C ATOM 1478 O THR A 215 6.924 9.071 -0.976 1.00 0.34 O ATOM 1479 CB THR A 215 7.392 5.871 -0.354 1.00 0.34 C ATOM 1480 OG1 THR A 215 7.935 4.915 0.574 1.00 0.37 O ATOM 1481 CG2 THR A 215 8.453 6.260 -1.368 1.00 0.39 C ATOM 0 H THR A 215 5.568 5.796 1.341 1.00 0.28 H new ATOM 0 HA THR A 215 7.752 7.549 0.912 1.00 0.30 H new ATOM 0 HB THR A 215 6.550 5.425 -0.883 1.00 0.34 H new ATOM 0 HG1 THR A 215 7.229 4.614 1.184 1.00 0.37 H new ATOM 0 HG21 THR A 215 8.795 5.370 -1.896 1.00 0.39 H new ATOM 0 HG22 THR A 215 8.031 6.967 -2.083 1.00 0.39 H new ATOM 0 HG23 THR A 215 9.295 6.723 -0.854 1.00 0.39 H new ATOM 1489 N GLN A 216 5.027 7.874 -0.901 1.00 0.30 N ATOM 1490 CA GLN A 216 4.288 8.831 -1.689 1.00 0.32 C ATOM 1491 C GLN A 216 4.004 10.108 -0.909 1.00 0.30 C ATOM 1492 O GLN A 216 3.829 11.142 -1.500 1.00 0.45 O ATOM 1493 CB GLN A 216 2.987 8.227 -2.214 1.00 0.44 C ATOM 1494 CG GLN A 216 3.196 7.224 -3.331 1.00 1.08 C ATOM 1495 CD GLN A 216 3.831 7.838 -4.567 1.00 1.76 C ATOM 1496 OE1 GLN A 216 4.597 7.183 -5.271 1.00 2.17 O ATOM 1497 NE2 GLN A 216 3.499 9.088 -4.861 1.00 2.60 N ATOM 0 H GLN A 216 4.505 7.037 -0.643 1.00 0.30 H new ATOM 0 HA GLN A 216 4.915 9.093 -2.541 1.00 0.32 H new ATOM 0 HB2 GLN A 216 2.464 7.740 -1.391 1.00 0.44 H new ATOM 0 HB3 GLN A 216 2.341 9.029 -2.572 1.00 0.44 H new ATOM 0 HG2 GLN A 216 3.827 6.412 -2.970 1.00 1.08 H new ATOM 0 HG3 GLN A 216 2.236 6.785 -3.602 1.00 1.08 H new ATOM 0 HE21 GLN A 216 2.860 9.602 -4.254 1.00 2.60 H new ATOM 0 HE22 GLN A 216 3.882 9.535 -5.694 1.00 2.60 H new ATOM 1506 N TYR A 217 3.970 10.038 0.412 1.00 0.27 N ATOM 1507 CA TYR A 217 3.754 11.229 1.234 1.00 0.29 C ATOM 1508 C TYR A 217 4.866 12.240 1.005 1.00 0.30 C ATOM 1509 O TYR A 217 4.612 13.418 0.759 1.00 0.31 O ATOM 1510 CB TYR A 217 3.687 10.847 2.719 1.00 0.37 C ATOM 1511 CG TYR A 217 3.430 12.008 3.661 1.00 0.56 C ATOM 1512 CD1 TYR A 217 2.132 12.397 3.983 1.00 1.06 C ATOM 1513 CD2 TYR A 217 4.484 12.719 4.221 1.00 0.80 C ATOM 1514 CE1 TYR A 217 1.897 13.459 4.836 1.00 1.26 C ATOM 1515 CE2 TYR A 217 4.255 13.780 5.076 1.00 0.95 C ATOM 1516 CZ TYR A 217 2.958 14.131 5.398 1.00 1.04 C ATOM 1517 OH TYR A 217 2.730 15.205 6.227 1.00 1.26 O ATOM 0 H TYR A 217 4.088 9.174 0.941 1.00 0.27 H new ATOM 0 HA TYR A 217 2.805 11.681 0.944 1.00 0.29 H new ATOM 0 HB2 TYR A 217 2.899 10.106 2.854 1.00 0.37 H new ATOM 0 HB3 TYR A 217 4.626 10.370 3.000 1.00 0.37 H new ATOM 0 HD1 TYR A 217 1.296 11.860 3.560 1.00 1.06 H new ATOM 0 HD2 TYR A 217 5.499 12.438 3.984 1.00 0.80 H new ATOM 0 HE1 TYR A 217 0.884 13.760 5.060 1.00 1.26 H new ATOM 0 HE2 TYR A 217 5.086 14.332 5.490 1.00 0.95 H new ATOM 0 HH TYR A 217 3.586 15.565 6.539 1.00 1.26 H new ATOM 1527 N GLN A 218 6.104 11.772 1.067 1.00 0.33 N ATOM 1528 CA GLN A 218 7.245 12.645 0.867 1.00 0.42 C ATOM 1529 C GLN A 218 7.385 13.010 -0.609 1.00 0.46 C ATOM 1530 O GLN A 218 7.883 14.082 -0.952 1.00 0.58 O ATOM 1531 CB GLN A 218 8.525 11.984 1.386 1.00 0.47 C ATOM 1532 CG GLN A 218 8.851 10.668 0.705 1.00 0.63 C ATOM 1533 CD GLN A 218 10.186 10.099 1.138 1.00 1.23 C ATOM 1534 OE1 GLN A 218 10.263 9.318 2.087 1.00 1.83 O ATOM 1535 NE2 GLN A 218 11.244 10.489 0.450 1.00 1.97 N ATOM 0 H GLN A 218 6.341 10.797 1.253 1.00 0.33 H new ATOM 0 HA GLN A 218 7.082 13.562 1.433 1.00 0.42 H new ATOM 0 HB2 GLN A 218 9.360 12.671 1.248 1.00 0.47 H new ATOM 0 HB3 GLN A 218 8.426 11.814 2.458 1.00 0.47 H new ATOM 0 HG2 GLN A 218 8.065 9.946 0.925 1.00 0.63 H new ATOM 0 HG3 GLN A 218 8.857 10.814 -0.375 1.00 0.63 H new ATOM 0 HE21 GLN A 218 11.135 11.138 -0.329 1.00 1.97 H new ATOM 0 HE22 GLN A 218 12.170 10.141 0.698 1.00 1.97 H new ATOM 1544 N GLN A 219 6.925 12.118 -1.479 1.00 0.42 N ATOM 1545 CA GLN A 219 6.953 12.360 -2.911 1.00 0.53 C ATOM 1546 C GLN A 219 5.837 13.319 -3.322 1.00 0.51 C ATOM 1547 O GLN A 219 6.039 14.197 -4.152 1.00 0.58 O ATOM 1548 CB GLN A 219 6.839 11.029 -3.660 1.00 0.60 C ATOM 1549 CG GLN A 219 6.723 11.174 -5.165 1.00 0.78 C ATOM 1550 CD GLN A 219 7.367 10.018 -5.905 1.00 0.98 C ATOM 1551 OE1 GLN A 219 6.610 8.961 -6.140 1.00 1.58 O flip ATOM 1552 NE2 GLN A 219 8.549 10.069 -6.246 1.00 1.70 N flip ATOM 0 H GLN A 219 6.527 11.217 -1.213 1.00 0.42 H new ATOM 0 HA GLN A 219 7.901 12.829 -3.173 1.00 0.53 H new ATOM 0 HB2 GLN A 219 7.713 10.419 -3.431 1.00 0.60 H new ATOM 0 HB3 GLN A 219 5.968 10.489 -3.289 1.00 0.60 H new ATOM 0 HG2 GLN A 219 5.671 11.239 -5.442 1.00 0.78 H new ATOM 0 HG3 GLN A 219 7.192 12.108 -5.475 1.00 0.78 H new ATOM 0 HE21 GLN A 219 9.102 10.903 -6.047 1.00 1.70 H new ATOM 0 HE22 GLN A 219 8.975 9.277 -6.728 1.00 1.70 H new ATOM 1561 N GLU A 220 4.673 13.151 -2.716 1.00 0.45 N ATOM 1562 CA GLU A 220 3.532 14.026 -2.943 1.00 0.46 C ATOM 1563 C GLU A 220 3.811 15.401 -2.376 1.00 0.46 C ATOM 1564 O GLU A 220 3.339 16.408 -2.901 1.00 0.49 O ATOM 1565 CB GLU A 220 2.281 13.442 -2.293 1.00 0.45 C ATOM 1566 CG GLU A 220 1.213 13.031 -3.287 1.00 0.75 C ATOM 1567 CD GLU A 220 1.712 11.999 -4.277 1.00 1.21 C ATOM 1568 OE1 GLU A 220 1.718 10.800 -3.935 1.00 1.74 O ATOM 1569 OE2 GLU A 220 2.085 12.386 -5.406 1.00 1.62 O ATOM 0 H GLU A 220 4.491 12.401 -2.049 1.00 0.45 H new ATOM 0 HA GLU A 220 3.365 14.110 -4.017 1.00 0.46 H new ATOM 0 HB2 GLU A 220 2.563 12.574 -1.697 1.00 0.45 H new ATOM 0 HB3 GLU A 220 1.862 14.178 -1.606 1.00 0.45 H new ATOM 0 HG2 GLU A 220 0.355 12.629 -2.749 1.00 0.75 H new ATOM 0 HG3 GLU A 220 0.866 13.911 -3.828 1.00 0.75 H new ATOM 1576 N SER A 221 4.596 15.436 -1.308 1.00 0.46 N ATOM 1577 CA SER A 221 5.041 16.690 -0.737 1.00 0.51 C ATOM 1578 C SER A 221 5.831 17.467 -1.794 1.00 0.56 C ATOM 1579 O SER A 221 5.803 18.693 -1.843 1.00 0.63 O ATOM 1580 CB SER A 221 5.904 16.432 0.504 1.00 0.52 C ATOM 1581 OG SER A 221 6.007 17.596 1.314 1.00 0.74 O ATOM 0 H SER A 221 4.936 14.606 -0.822 1.00 0.46 H new ATOM 0 HA SER A 221 4.178 17.280 -0.429 1.00 0.51 H new ATOM 0 HB2 SER A 221 5.472 15.618 1.087 1.00 0.52 H new ATOM 0 HB3 SER A 221 6.899 16.111 0.197 1.00 0.52 H new ATOM 0 HG SER A 221 5.354 18.262 1.014 1.00 0.74 H new ATOM 1587 N GLN A 222 6.515 16.726 -2.661 1.00 0.57 N ATOM 1588 CA GLN A 222 7.250 17.321 -3.769 1.00 0.68 C ATOM 1589 C GLN A 222 6.342 17.468 -4.989 1.00 0.69 C ATOM 1590 O GLN A 222 6.555 18.332 -5.836 1.00 0.79 O ATOM 1591 CB GLN A 222 8.474 16.464 -4.110 1.00 0.77 C ATOM 1592 CG GLN A 222 8.481 15.954 -5.538 1.00 1.19 C ATOM 1593 CD GLN A 222 9.785 15.279 -5.920 1.00 1.31 C ATOM 1594 OE1 GLN A 222 10.480 14.716 -5.074 1.00 1.81 O ATOM 1595 NE2 GLN A 222 10.108 15.303 -7.199 1.00 1.52 N ATOM 0 H GLN A 222 6.575 15.709 -2.616 1.00 0.57 H new ATOM 0 HA GLN A 222 7.592 18.313 -3.473 1.00 0.68 H new ATOM 0 HB2 GLN A 222 9.377 17.050 -3.938 1.00 0.77 H new ATOM 0 HB3 GLN A 222 8.512 15.613 -3.429 1.00 0.77 H new ATOM 0 HG2 GLN A 222 7.661 15.248 -5.670 1.00 1.19 H new ATOM 0 HG3 GLN A 222 8.297 16.787 -6.216 1.00 1.19 H new ATOM 0 HE21 GLN A 222 9.505 15.781 -7.868 1.00 1.52 H new ATOM 0 HE22 GLN A 222 10.961 14.844 -7.518 1.00 1.52 H new ATOM 1604 N ALA A 223 5.340 16.607 -5.083 1.00 0.64 N ATOM 1605 CA ALA A 223 4.340 16.706 -6.137 1.00 0.71 C ATOM 1606 C ALA A 223 3.601 18.020 -6.019 1.00 0.71 C ATOM 1607 O ALA A 223 3.192 18.602 -7.022 1.00 0.82 O ATOM 1608 CB ALA A 223 3.375 15.533 -6.087 1.00 0.72 C ATOM 0 H ALA A 223 5.197 15.829 -4.440 1.00 0.64 H new ATOM 0 HA ALA A 223 4.845 16.672 -7.102 1.00 0.71 H new ATOM 0 HB1 ALA A 223 2.639 15.633 -6.885 1.00 0.72 H new ATOM 0 HB2 ALA A 223 3.927 14.602 -6.217 1.00 0.72 H new ATOM 0 HB3 ALA A 223 2.866 15.522 -5.123 1.00 0.72 H new ATOM 1614 N ALA A 224 3.461 18.497 -4.787 1.00 0.65 N ATOM 1615 CA ALA A 224 2.913 19.819 -4.531 1.00 0.72 C ATOM 1616 C ALA A 224 3.816 20.891 -5.115 1.00 0.82 C ATOM 1617 O ALA A 224 3.377 22.006 -5.366 1.00 0.93 O ATOM 1618 CB ALA A 224 2.715 20.036 -3.041 1.00 0.75 C ATOM 0 H ALA A 224 3.722 17.982 -3.946 1.00 0.65 H new ATOM 0 HA ALA A 224 1.940 19.889 -5.017 1.00 0.72 H new ATOM 0 HB1 ALA A 224 2.304 21.031 -2.870 1.00 0.75 H new ATOM 0 HB2 ALA A 224 2.025 19.287 -2.653 1.00 0.75 H new ATOM 0 HB3 ALA A 224 3.673 19.946 -2.530 1.00 0.75 H new ATOM 1624 N TYR A 225 5.073 20.535 -5.347 1.00 0.88 N ATOM 1625 CA TYR A 225 6.013 21.441 -5.979 1.00 1.02 C ATOM 1626 C TYR A 225 6.008 21.243 -7.487 1.00 1.13 C ATOM 1627 O TYR A 225 6.320 22.157 -8.251 1.00 1.30 O ATOM 1628 CB TYR A 225 7.423 21.245 -5.431 1.00 1.02 C ATOM 1629 CG TYR A 225 8.273 22.477 -5.600 1.00 1.29 C ATOM 1630 CD1 TYR A 225 7.970 23.662 -4.944 1.00 1.62 C ATOM 1631 CD2 TYR A 225 9.394 22.442 -6.414 1.00 2.15 C ATOM 1632 CE1 TYR A 225 8.765 24.784 -5.099 1.00 2.22 C ATOM 1633 CE2 TYR A 225 10.197 23.556 -6.573 1.00 2.88 C ATOM 1634 CZ TYR A 225 9.808 24.776 -5.904 1.00 2.75 C ATOM 1635 OH TYR A 225 10.676 25.840 -6.067 1.00 3.57 O ATOM 0 H TYR A 225 5.462 19.624 -5.105 1.00 0.88 H new ATOM 0 HA TYR A 225 5.698 22.460 -5.752 1.00 1.02 H new ATOM 0 HB2 TYR A 225 7.368 20.985 -4.374 1.00 1.02 H new ATOM 0 HB3 TYR A 225 7.896 20.406 -5.941 1.00 1.02 H new ATOM 0 HD1 TYR A 225 7.102 23.709 -4.304 1.00 1.62 H new ATOM 0 HD2 TYR A 225 9.645 21.529 -6.933 1.00 2.15 H new ATOM 0 HE1 TYR A 225 8.526 25.683 -4.550 1.00 2.22 H new ATOM 0 HE2 TYR A 225 11.089 23.515 -7.180 1.00 2.88 H new ATOM 0 HH TYR A 225 11.371 25.599 -6.714 1.00 3.57 H new ATOM 1645 N GLN A 226 5.646 20.042 -7.909 1.00 1.09 N ATOM 1646 CA GLN A 226 5.538 19.723 -9.323 1.00 1.27 C ATOM 1647 C GLN A 226 4.350 20.473 -9.923 1.00 1.36 C ATOM 1648 O GLN A 226 4.408 20.976 -11.047 1.00 1.55 O ATOM 1649 CB GLN A 226 5.360 18.215 -9.499 1.00 1.32 C ATOM 1650 CG GLN A 226 5.681 17.715 -10.895 1.00 1.60 C ATOM 1651 CD GLN A 226 5.412 16.231 -11.053 1.00 2.19 C ATOM 1652 OE1 GLN A 226 5.487 15.467 -10.090 1.00 2.87 O ATOM 1653 NE2 GLN A 226 5.116 15.807 -12.269 1.00 2.60 N ATOM 0 H GLN A 226 5.420 19.266 -7.286 1.00 1.09 H new ATOM 0 HA GLN A 226 6.448 20.029 -9.839 1.00 1.27 H new ATOM 0 HB2 GLN A 226 5.999 17.698 -8.783 1.00 1.32 H new ATOM 0 HB3 GLN A 226 4.331 17.950 -9.257 1.00 1.32 H new ATOM 0 HG2 GLN A 226 5.087 18.269 -11.622 1.00 1.60 H new ATOM 0 HG3 GLN A 226 6.728 17.918 -11.119 1.00 1.60 H new ATOM 0 HE21 GLN A 226 5.063 16.471 -13.042 1.00 2.60 H new ATOM 0 HE22 GLN A 226 4.940 14.816 -12.435 1.00 2.60 H new ATOM 1662 N ARG A 227 3.285 20.558 -9.138 1.00 1.25 N ATOM 1663 CA ARG A 227 2.075 21.268 -9.537 1.00 1.35 C ATOM 1664 C ARG A 227 2.124 22.729 -9.092 1.00 1.38 C ATOM 1665 O ARG A 227 1.224 23.511 -9.396 1.00 1.46 O ATOM 1666 CB ARG A 227 0.840 20.581 -8.949 1.00 1.32 C ATOM 1667 CG ARG A 227 0.891 20.417 -7.438 1.00 1.00 C ATOM 1668 CD ARG A 227 -0.329 19.680 -6.909 1.00 1.08 C ATOM 1669 NE ARG A 227 -1.581 20.320 -7.306 1.00 1.97 N ATOM 1670 CZ ARG A 227 -2.663 19.650 -7.699 1.00 2.50 C ATOM 1671 NH1 ARG A 227 -2.649 18.322 -7.748 1.00 2.39 N ATOM 1672 NH2 ARG A 227 -3.760 20.307 -8.049 1.00 3.59 N ATOM 0 H ARG A 227 3.234 20.139 -8.210 1.00 1.25 H new ATOM 0 HA ARG A 227 2.012 21.244 -10.625 1.00 1.35 H new ATOM 0 HB2 ARG A 227 -0.046 21.159 -9.213 1.00 1.32 H new ATOM 0 HB3 ARG A 227 0.729 19.599 -9.408 1.00 1.32 H new ATOM 0 HG2 ARG A 227 1.793 19.871 -7.162 1.00 1.00 H new ATOM 0 HG3 ARG A 227 0.955 21.398 -6.968 1.00 1.00 H new ATOM 0 HD2 ARG A 227 -0.317 18.653 -7.275 1.00 1.08 H new ATOM 0 HD3 ARG A 227 -0.278 19.632 -5.821 1.00 1.08 H new ATOM 0 HE ARG A 227 -1.629 21.339 -7.281 1.00 1.97 H new ATOM 0 HH11 ARG A 227 -1.807 17.811 -7.484 1.00 2.39 H new ATOM 0 HH12 ARG A 227 -3.480 17.814 -8.050 1.00 2.39 H new ATOM 0 HH21 ARG A 227 -3.776 21.326 -8.017 1.00 3.59 H new ATOM 0 HH22 ARG A 227 -4.588 19.793 -8.350 1.00 3.59 H new ATOM 1686 N ALA A 228 3.175 23.084 -8.364 1.00 1.34 N ATOM 1687 CA ALA A 228 3.344 24.445 -7.880 1.00 1.43 C ATOM 1688 C ALA A 228 3.796 25.359 -9.007 1.00 1.64 C ATOM 1689 CB ALA A 228 4.342 24.495 -6.732 1.00 1.40 C ATOM 0 H ALA A 228 3.924 22.446 -8.096 1.00 1.34 H new ATOM 0 HA ALA A 228 2.379 24.793 -7.511 1.00 1.43 H new ATOM 0 HB1 ALA A 228 4.450 25.524 -6.388 1.00 1.40 H new ATOM 0 HB2 ALA A 228 3.984 23.874 -5.911 1.00 1.40 H new ATOM 0 HB3 ALA A 228 5.308 24.123 -7.073 1.00 1.40 H new