USER MOD reduce.3.24.130724 H: found=0, std=0, add=803, rem=0, adj=34 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 156 TYR OH : rot -30:sc= -1.89 USER MOD Set 1.2: A 187 THR OG1 : rot -39:sc= -0.0145 USER MOD Set 1.3: A 191 THR OG1 : rot -133:sc= -4.59! USER MOD Set 2.1: A 148 TYR OH : rot -128:sc= 1.68 USER MOD Set 2.2: A 203 LYS NZ :NH3+ -138:sc= 0.979 (180deg=0) USER MOD Set 3.1: A 133 MET CE :methyl 158:sc= -9.24! (180deg=-10.4!) USER MOD Set 3.2: A 212 MET CE :methyl -141:sc= -7.33! (180deg=-9.91!) USER MOD Set 4.1: A 131 SER OG : rot -150:sc= 0 USER MOD Set 4.2: A 216 GLN : amide:sc= -1.12 K(o=-1.3,f=-0.37) USER MOD Set 4.3: A 219 GLN : amide:sc= -0.127 X(o=-1.3,f=-1) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 128 MET CE :methyl 170:sc= -5.9! (180deg=-6.09!) USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD Single : A 139 HIS : no HD1:sc= -4.14! K(o=-4.1!,f=-0.46) USER MOD Single : A 142 ASN : amide:sc= -5.47! C(o=-5.5!,f=-1.6!) USER MOD Single : A 144 TYR OH : rot 180:sc= 0 USER MOD Single : A 149 TYR OH : rot -70:sc= -0.521 USER MOD Single : A 152 ASN : amide:sc= -11.9! C(o=-12!,f=-18!) USER MOD Single : A 153 MET CE :methyl -161:sc= -2.15! (180deg=-3.85!) USER MOD Single : A 154 TYR OH : rot 180:sc= 0 USER MOD Single : A 158 ASN : amide:sc= -5.28! C(o=-5.3!,f=-8.3!) USER MOD Single : A 159 GLN : amide:sc= -4.28! C(o=-4.3!,f=-2.9!) USER MOD Single : A 161 TYR OH : rot 180:sc= 0 USER MOD Single : A 162 TYR OH : rot -129:sc= -2.35! USER MOD Single : A 167 GLN : amide:sc= -0.547! C(o=-0.55!,f=-4.2!) 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 : amide:sc= -3.98! K(o=-4!,f=-0.84) USER MOD Single : A 172 ASN : amide:sc= 0.174 K(o=0.17,f=-7!) USER MOD Single : A 173 SER OG : rot 180:sc= 0 USER MOD Single : A 176 HIS : no HE2:sc= 1.05 K(o=1,f=-5.6!) USER MOD Single : A 180 ASN : amide:sc= -0.222 K(o=-0.22,f=-1.6!) USER MOD Single : A 182 THR OG1 : rot -48:sc= -2.36! USER MOD Single : A 184 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 185 GLN : amide:sc= -0.955 K(o=-0.96,f=-0.28) USER MOD Single : A 186 HIS : no HE2:sc= -2.94! C(o=-2.9!,f=-11!) USER MOD Single : A 189 THR OG1 : rot 7:sc= 0.678 USER MOD Single : A 190 THR OG1 : rot 93:sc= 1.29 USER MOD Single : A 192 THR OG1 : rot 85:sc= -1.51! USER MOD Single : A 193 LYS NZ :NH3+ -138:sc= 0.411 (180deg=-2.52!) USER MOD Single : A 196 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 198 THR OG1 : rot 180:sc= 0.00067 USER MOD Single : A 200 THR OG1 : rot 180:sc= 0 USER MOD Single : A 205 MET CE :methyl 161:sc= -6.24! (180deg=-7.8!) USER MOD Single : A 211 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 215 THR OG1 : rot 64:sc= 1.11 USER MOD Single : A 217 TYR OH : rot 146:sc= -0.0668 USER MOD Single : A 218 GLN : amide:sc= -1.01 K(o=-1,f=-0.31) USER MOD Single : A 221 SER OG : rot 58:sc= 1.31 USER MOD Single : A 222 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 225 TYR OH : rot 180:sc= 0 USER MOD Single : A 226 GLN : amide:sc= -0.757 K(o=-0.76,f=-2!) USER MOD ----------------------------------------------------------------- ATOM 34 N TYR A 127 -10.160 9.868 -5.536 1.00 0.61 N ATOM 35 CA TYR A 127 -8.797 9.771 -5.039 1.00 0.44 C ATOM 36 C TYR A 127 -7.816 9.878 -6.180 1.00 0.45 C ATOM 37 O TYR A 127 -8.188 10.086 -7.336 1.00 0.71 O ATOM 38 CB TYR A 127 -8.574 8.499 -4.196 1.00 0.37 C ATOM 39 CG TYR A 127 -8.975 8.720 -2.758 1.00 0.46 C ATOM 40 CD1 TYR A 127 -9.751 9.819 -2.407 1.00 1.26 C ATOM 41 CD2 TYR A 127 -8.559 7.865 -1.753 1.00 0.86 C ATOM 42 CE1 TYR A 127 -10.101 10.053 -1.099 1.00 1.38 C ATOM 43 CE2 TYR A 127 -8.900 8.097 -0.439 1.00 0.92 C ATOM 44 CZ TYR A 127 -9.670 9.191 -0.120 1.00 0.78 C ATOM 45 OH TYR A 127 -9.993 9.432 1.185 1.00 0.96 O ATOM 0 HA TYR A 127 -8.623 10.610 -4.365 1.00 0.44 H new ATOM 0 HB2 TYR A 127 -9.152 7.676 -4.615 1.00 0.37 H new ATOM 0 HB3 TYR A 127 -7.525 8.208 -4.243 1.00 0.37 H new ATOM 0 HD1 TYR A 127 -10.084 10.500 -3.176 1.00 1.26 H new ATOM 0 HD2 TYR A 127 -7.958 7.003 -2.003 1.00 0.86 H new ATOM 0 HE1 TYR A 127 -10.710 10.907 -0.843 1.00 1.38 H new ATOM 0 HE2 TYR A 127 -8.565 7.424 0.336 1.00 0.92 H new ATOM 0 HH TYR A 127 -9.613 8.728 1.751 1.00 0.96 H new ATOM 55 N MET A 128 -6.572 9.785 -5.843 1.00 0.38 N ATOM 56 CA MET A 128 -5.521 9.996 -6.765 1.00 0.41 C ATOM 57 C MET A 128 -4.520 8.909 -6.475 1.00 0.42 C ATOM 58 O MET A 128 -3.808 8.943 -5.480 1.00 0.43 O ATOM 59 CB MET A 128 -5.047 11.466 -6.585 1.00 0.46 C ATOM 60 CG MET A 128 -3.596 11.729 -6.209 1.00 0.45 C ATOM 61 SD MET A 128 -2.396 11.081 -7.374 1.00 0.52 S ATOM 62 CE MET A 128 -1.390 10.202 -6.196 1.00 0.46 C ATOM 0 H MET A 128 -6.258 9.556 -4.900 1.00 0.38 H new ATOM 0 HA MET A 128 -5.770 9.914 -7.823 1.00 0.41 H new ATOM 0 HB2 MET A 128 -5.247 11.993 -7.518 1.00 0.46 H new ATOM 0 HB3 MET A 128 -5.674 11.923 -5.820 1.00 0.46 H new ATOM 0 HG2 MET A 128 -3.448 12.805 -6.115 1.00 0.45 H new ATOM 0 HG3 MET A 128 -3.403 11.294 -5.229 1.00 0.45 H new ATOM 0 HE1 MET A 128 -0.676 9.572 -6.726 1.00 0.46 H new ATOM 0 HE2 MET A 128 -0.852 10.916 -5.573 1.00 0.46 H new ATOM 0 HE3 MET A 128 -2.026 9.579 -5.567 1.00 0.46 H new ATOM 72 N LEU A 129 -4.593 7.857 -7.274 1.00 0.57 N ATOM 73 CA LEU A 129 -3.851 6.655 -6.988 1.00 0.66 C ATOM 74 C LEU A 129 -2.427 7.017 -6.699 1.00 0.56 C ATOM 75 O LEU A 129 -1.727 7.554 -7.559 1.00 0.56 O ATOM 76 CB LEU A 129 -3.912 5.682 -8.150 1.00 0.92 C ATOM 77 CG LEU A 129 -3.724 4.207 -7.797 1.00 0.37 C ATOM 78 CD1 LEU A 129 -3.605 3.407 -9.061 1.00 1.12 C ATOM 79 CD2 LEU A 129 -2.507 3.962 -6.929 1.00 1.15 C ATOM 0 H LEU A 129 -5.159 7.818 -8.122 1.00 0.57 H new ATOM 0 HA LEU A 129 -4.296 6.167 -6.121 1.00 0.66 H new ATOM 0 HB2 LEU A 129 -4.877 5.797 -8.645 1.00 0.92 H new ATOM 0 HB3 LEU A 129 -3.147 5.963 -8.874 1.00 0.92 H new ATOM 0 HG LEU A 129 -4.597 3.897 -7.222 1.00 0.37 H new ATOM 0 HD11 LEU A 129 -3.471 2.354 -8.814 1.00 1.12 H new ATOM 0 HD12 LEU A 129 -4.511 3.528 -9.655 1.00 1.12 H new ATOM 0 HD13 LEU A 129 -2.747 3.758 -9.634 1.00 1.12 H new ATOM 0 HD21 LEU A 129 -2.424 2.897 -6.710 1.00 1.15 H new ATOM 0 HD22 LEU A 129 -1.612 4.295 -7.455 1.00 1.15 H new ATOM 0 HD23 LEU A 129 -2.608 4.517 -5.996 1.00 1.15 H new ATOM 91 N GLY A 130 -2.033 6.748 -5.473 1.00 0.57 N ATOM 92 CA GLY A 130 -0.721 7.070 -5.010 1.00 0.55 C ATOM 93 C GLY A 130 0.324 6.194 -5.651 1.00 0.53 C ATOM 94 O GLY A 130 0.959 5.386 -4.977 1.00 0.58 O ATOM 0 H GLY A 130 -2.624 6.298 -4.774 1.00 0.57 H new ATOM 0 HA2 GLY A 130 -0.504 8.116 -5.228 1.00 0.55 H new ATOM 0 HA3 GLY A 130 -0.678 6.955 -3.927 1.00 0.55 H new ATOM 98 N SER A 131 0.399 6.318 -6.976 1.00 0.56 N ATOM 99 CA SER A 131 1.453 5.735 -7.805 1.00 0.62 C ATOM 100 C SER A 131 1.557 4.217 -7.700 1.00 0.63 C ATOM 101 O SER A 131 1.812 3.654 -6.634 1.00 1.04 O ATOM 102 CB SER A 131 2.797 6.375 -7.471 1.00 0.71 C ATOM 103 OG SER A 131 2.797 7.754 -7.807 1.00 1.30 O ATOM 0 H SER A 131 -0.290 6.841 -7.516 1.00 0.56 H new ATOM 0 HA SER A 131 1.177 5.949 -8.838 1.00 0.62 H new ATOM 0 HB2 SER A 131 3.008 6.255 -6.408 1.00 0.71 H new ATOM 0 HB3 SER A 131 3.593 5.864 -8.013 1.00 0.71 H new ATOM 0 HG SER A 131 3.706 8.032 -8.046 1.00 1.30 H new ATOM 109 N ALA A 132 1.374 3.546 -8.825 1.00 0.64 N ATOM 110 CA ALA A 132 1.658 2.130 -8.890 1.00 0.58 C ATOM 111 C ALA A 132 3.182 1.931 -8.805 1.00 0.53 C ATOM 112 O ALA A 132 3.890 2.106 -9.796 1.00 0.65 O ATOM 113 CB ALA A 132 1.102 1.525 -10.169 1.00 0.71 C ATOM 0 H ALA A 132 1.034 3.957 -9.694 1.00 0.64 H new ATOM 0 HA ALA A 132 1.176 1.621 -8.055 1.00 0.58 H new ATOM 0 HB1 ALA A 132 1.328 0.459 -10.195 1.00 0.71 H new ATOM 0 HB2 ALA A 132 0.022 1.668 -10.199 1.00 0.71 H new ATOM 0 HB3 ALA A 132 1.557 2.014 -11.030 1.00 0.71 H new ATOM 119 N MET A 133 3.687 1.593 -7.622 1.00 0.46 N ATOM 120 CA MET A 133 5.139 1.605 -7.377 1.00 0.49 C ATOM 121 C MET A 133 5.845 0.334 -7.833 1.00 0.61 C ATOM 122 O MET A 133 7.073 0.269 -7.810 1.00 1.65 O ATOM 123 CB MET A 133 5.484 1.897 -5.901 1.00 0.48 C ATOM 124 CG MET A 133 4.615 1.252 -4.849 1.00 0.41 C ATOM 125 SD MET A 133 4.906 -0.495 -4.605 1.00 0.73 S ATOM 126 CE MET A 133 4.029 -0.709 -3.066 1.00 0.40 C ATOM 0 H MET A 133 3.124 1.309 -6.820 1.00 0.46 H new ATOM 0 HA MET A 133 5.514 2.423 -7.992 1.00 0.49 H new ATOM 0 HB2 MET A 133 6.514 1.585 -5.727 1.00 0.48 H new ATOM 0 HB3 MET A 133 5.449 2.976 -5.753 1.00 0.48 H new ATOM 0 HG2 MET A 133 4.772 1.768 -3.902 1.00 0.41 H new ATOM 0 HG3 MET A 133 3.570 1.397 -5.122 1.00 0.41 H new ATOM 0 HE1 MET A 133 3.759 -1.758 -2.944 1.00 0.40 H new ATOM 0 HE2 MET A 133 4.667 -0.400 -2.238 1.00 0.40 H new ATOM 0 HE3 MET A 133 3.125 -0.100 -3.075 1.00 0.40 H new ATOM 136 N SER A 134 5.074 -0.663 -8.236 1.00 0.72 N ATOM 137 CA SER A 134 5.631 -1.932 -8.736 1.00 0.60 C ATOM 138 C SER A 134 6.511 -2.602 -7.672 1.00 0.52 C ATOM 139 O SER A 134 7.436 -3.354 -7.982 1.00 0.74 O ATOM 140 CB SER A 134 6.420 -1.687 -10.025 1.00 0.71 C ATOM 141 OG SER A 134 5.610 -1.041 -10.997 1.00 1.49 O ATOM 0 H SER A 134 4.055 -0.628 -8.231 1.00 0.72 H new ATOM 0 HA SER A 134 4.807 -2.610 -8.957 1.00 0.60 H new ATOM 0 HB2 SER A 134 7.296 -1.075 -9.810 1.00 0.71 H new ATOM 0 HB3 SER A 134 6.783 -2.636 -10.420 1.00 0.71 H new ATOM 0 HG SER A 134 6.133 -0.892 -11.812 1.00 1.49 H new ATOM 147 N ARG A 135 6.164 -2.327 -6.419 1.00 0.47 N ATOM 148 CA ARG A 135 6.877 -2.801 -5.234 1.00 0.43 C ATOM 149 C ARG A 135 8.225 -2.109 -5.041 1.00 0.47 C ATOM 150 O ARG A 135 9.054 -2.076 -5.946 1.00 0.59 O ATOM 151 CB ARG A 135 7.040 -4.311 -5.205 1.00 0.55 C ATOM 152 CG ARG A 135 5.927 -4.982 -4.422 1.00 0.49 C ATOM 153 CD ARG A 135 5.860 -4.511 -2.983 1.00 1.38 C ATOM 154 NE ARG A 135 4.909 -5.316 -2.217 1.00 2.40 N ATOM 155 CZ ARG A 135 3.589 -5.121 -2.215 1.00 3.22 C ATOM 156 NH1 ARG A 135 3.052 -4.140 -2.923 1.00 3.47 N ATOM 157 NH2 ARG A 135 2.805 -5.913 -1.506 1.00 4.16 N ATOM 0 H ARG A 135 5.354 -1.750 -6.191 1.00 0.47 H new ATOM 0 HA ARG A 135 6.241 -2.527 -4.392 1.00 0.43 H new ATOM 0 HB2 ARG A 135 7.050 -4.695 -6.225 1.00 0.55 H new ATOM 0 HB3 ARG A 135 8.002 -4.564 -4.759 1.00 0.55 H new ATOM 0 HG2 ARG A 135 4.973 -4.783 -4.910 1.00 0.49 H new ATOM 0 HG3 ARG A 135 6.075 -6.062 -4.440 1.00 0.49 H new ATOM 0 HD2 ARG A 135 6.848 -4.576 -2.528 1.00 1.38 H new ATOM 0 HD3 ARG A 135 5.564 -3.463 -2.952 1.00 1.38 H new ATOM 0 HE ARG A 135 5.279 -6.076 -1.647 1.00 2.40 H new ATOM 0 HH11 ARG A 135 3.648 -3.525 -3.477 1.00 3.47 H new ATOM 0 HH12 ARG A 135 2.042 -3.999 -2.915 1.00 3.47 H new ATOM 0 HH21 ARG A 135 3.209 -6.674 -0.960 1.00 4.16 H new ATOM 0 HH22 ARG A 135 1.796 -5.764 -1.505 1.00 4.16 H new ATOM 171 N PRO A 136 8.458 -1.540 -3.840 1.00 0.43 N ATOM 172 CA PRO A 136 9.737 -0.932 -3.472 1.00 0.49 C ATOM 173 C PRO A 136 10.725 -1.991 -3.004 1.00 0.46 C ATOM 174 O PRO A 136 11.824 -1.675 -2.546 1.00 0.58 O ATOM 175 CB PRO A 136 9.378 0.003 -2.303 1.00 0.52 C ATOM 176 CG PRO A 136 7.900 -0.116 -2.117 1.00 0.47 C ATOM 177 CD PRO A 136 7.502 -1.419 -2.741 1.00 0.40 C ATOM 0 HA PRO A 136 10.207 -0.415 -4.309 1.00 0.49 H new ATOM 0 HB2 PRO A 136 9.910 -0.285 -1.396 1.00 0.52 H new ATOM 0 HB3 PRO A 136 9.661 1.032 -2.525 1.00 0.52 H new ATOM 0 HG2 PRO A 136 7.638 -0.095 -1.059 1.00 0.47 H new ATOM 0 HG3 PRO A 136 7.380 0.717 -2.590 1.00 0.47 H new ATOM 0 HD2 PRO A 136 7.582 -2.248 -2.038 1.00 0.40 H new ATOM 0 HD3 PRO A 136 6.472 -1.402 -3.097 1.00 0.40 H new ATOM 185 N LEU A 137 10.297 -3.245 -3.125 1.00 0.42 N ATOM 186 CA LEU A 137 11.080 -4.403 -2.716 1.00 0.48 C ATOM 187 C LEU A 137 11.200 -4.471 -1.200 1.00 0.45 C ATOM 188 O LEU A 137 12.025 -3.808 -0.574 1.00 0.62 O ATOM 189 CB LEU A 137 12.440 -4.426 -3.406 1.00 0.70 C ATOM 190 CG LEU A 137 12.428 -5.015 -4.825 1.00 0.77 C ATOM 191 CD1 LEU A 137 12.070 -6.491 -4.780 1.00 1.32 C ATOM 192 CD2 LEU A 137 11.444 -4.270 -5.715 1.00 1.33 C ATOM 0 H LEU A 137 9.386 -3.486 -3.515 1.00 0.42 H new ATOM 0 HA LEU A 137 10.551 -5.301 -3.037 1.00 0.48 H new ATOM 0 HB2 LEU A 137 12.826 -3.408 -3.453 1.00 0.70 H new ATOM 0 HB3 LEU A 137 13.134 -5.002 -2.794 1.00 0.70 H new ATOM 0 HG LEU A 137 13.427 -4.903 -5.246 1.00 0.77 H new ATOM 0 HD11 LEU A 137 12.065 -6.895 -5.792 1.00 1.32 H new ATOM 0 HD12 LEU A 137 12.806 -7.026 -4.179 1.00 1.32 H new ATOM 0 HD13 LEU A 137 11.082 -6.612 -4.336 1.00 1.32 H new ATOM 0 HD21 LEU A 137 11.455 -4.706 -6.714 1.00 1.33 H new ATOM 0 HD22 LEU A 137 10.441 -4.349 -5.295 1.00 1.33 H new ATOM 0 HD23 LEU A 137 11.730 -3.220 -5.775 1.00 1.33 H new ATOM 204 N ILE A 138 10.342 -5.299 -0.643 1.00 0.38 N ATOM 205 CA ILE A 138 10.140 -5.420 0.787 1.00 0.39 C ATOM 206 C ILE A 138 10.758 -6.729 1.291 1.00 0.50 C ATOM 207 O ILE A 138 10.837 -6.975 2.493 1.00 1.19 O ATOM 208 CB ILE A 138 8.624 -5.381 1.042 1.00 0.38 C ATOM 209 CG1 ILE A 138 8.037 -4.046 0.555 1.00 0.25 C ATOM 210 CG2 ILE A 138 8.269 -5.618 2.490 1.00 0.57 C ATOM 211 CD1 ILE A 138 8.251 -2.892 1.510 1.00 0.31 C ATOM 0 H ILE A 138 9.748 -5.925 -1.187 1.00 0.38 H new ATOM 0 HA ILE A 138 10.625 -4.605 1.325 1.00 0.39 H new ATOM 0 HB ILE A 138 8.184 -6.200 0.473 1.00 0.38 H new ATOM 0 HG12 ILE A 138 8.483 -3.795 -0.407 1.00 0.25 H new ATOM 0 HG13 ILE A 138 6.967 -4.171 0.387 1.00 0.25 H new ATOM 0 HG21 ILE A 138 7.186 -5.579 2.610 1.00 0.57 H new ATOM 0 HG22 ILE A 138 8.633 -6.598 2.798 1.00 0.57 H new ATOM 0 HG23 ILE A 138 8.731 -4.848 3.108 1.00 0.57 H new ATOM 0 HD11 ILE A 138 7.808 -1.988 1.093 1.00 0.31 H new ATOM 0 HD12 ILE A 138 7.780 -3.119 2.466 1.00 0.31 H new ATOM 0 HD13 ILE A 138 9.319 -2.737 1.659 1.00 0.31 H new ATOM 223 N HIS A 139 11.212 -7.544 0.328 1.00 0.65 N ATOM 224 CA HIS A 139 11.992 -8.784 0.576 1.00 0.75 C ATOM 225 C HIS A 139 11.464 -9.620 1.745 1.00 0.84 C ATOM 226 O HIS A 139 10.499 -10.347 1.567 1.00 1.80 O ATOM 227 CB HIS A 139 13.501 -8.490 0.753 1.00 0.84 C ATOM 228 CG HIS A 139 13.792 -7.198 1.454 1.00 0.72 C ATOM 229 ND1 HIS A 139 14.121 -6.041 0.796 1.00 1.02 N ATOM 230 CD2 HIS A 139 13.687 -6.867 2.757 1.00 1.15 C ATOM 231 CE1 HIS A 139 14.189 -5.053 1.664 1.00 1.08 C ATOM 232 NE2 HIS A 139 13.920 -5.523 2.869 1.00 1.33 N ATOM 0 H HIS A 139 11.050 -7.365 -0.663 1.00 0.65 H new ATOM 0 HA HIS A 139 11.859 -9.388 -0.321 1.00 0.75 H new ATOM 0 HB2 HIS A 139 13.956 -9.306 1.314 1.00 0.84 H new ATOM 0 HB3 HIS A 139 13.975 -8.474 -0.228 1.00 0.84 H new ATOM 0 HD2 HIS A 139 13.459 -7.543 3.568 1.00 1.15 H new ATOM 0 HE1 HIS A 139 14.426 -4.026 1.429 1.00 1.08 H new ATOM 0 HE2 HIS A 139 13.891 -4.979 3.732 1.00 1.33 H new ATOM 241 N PHE A 140 12.116 -9.466 2.913 1.00 0.66 N ATOM 242 CA PHE A 140 11.855 -10.200 4.174 1.00 0.54 C ATOM 243 C PHE A 140 12.969 -11.193 4.469 1.00 0.63 C ATOM 244 O PHE A 140 13.229 -11.509 5.629 1.00 0.76 O ATOM 245 CB PHE A 140 10.495 -10.916 4.244 1.00 0.53 C ATOM 246 CG PHE A 140 9.328 -9.978 4.307 1.00 0.40 C ATOM 247 CD1 PHE A 140 9.290 -8.959 5.245 1.00 0.72 C ATOM 248 CD2 PHE A 140 8.280 -10.106 3.420 1.00 0.71 C ATOM 249 CE1 PHE A 140 8.222 -8.088 5.291 1.00 0.74 C ATOM 250 CE2 PHE A 140 7.217 -9.241 3.461 1.00 0.67 C ATOM 251 CZ PHE A 140 7.184 -8.231 4.394 1.00 0.35 C ATOM 0 H PHE A 140 12.877 -8.794 3.012 1.00 0.66 H new ATOM 0 HA PHE A 140 11.824 -9.422 4.937 1.00 0.54 H new ATOM 0 HB2 PHE A 140 10.387 -11.560 3.371 1.00 0.53 H new ATOM 0 HB3 PHE A 140 10.479 -11.563 5.121 1.00 0.53 H new ATOM 0 HD1 PHE A 140 10.104 -8.846 5.946 1.00 0.72 H new ATOM 0 HD2 PHE A 140 8.297 -10.897 2.685 1.00 0.71 H new ATOM 0 HE1 PHE A 140 8.198 -7.297 6.026 1.00 0.74 H new ATOM 0 HE2 PHE A 140 6.404 -9.353 2.759 1.00 0.67 H new ATOM 0 HZ PHE A 140 6.346 -7.550 4.424 1.00 0.35 H new ATOM 261 N GLY A 141 13.628 -11.679 3.426 1.00 0.66 N ATOM 262 CA GLY A 141 14.709 -12.632 3.617 1.00 0.77 C ATOM 263 C GLY A 141 14.166 -14.016 3.895 1.00 0.74 C ATOM 264 O GLY A 141 14.808 -14.843 4.543 1.00 0.86 O ATOM 0 H GLY A 141 13.437 -11.433 2.455 1.00 0.66 H new ATOM 0 HA2 GLY A 141 15.339 -12.656 2.728 1.00 0.77 H new ATOM 0 HA3 GLY A 141 15.340 -12.311 4.446 1.00 0.77 H new ATOM 268 N ASN A 142 12.963 -14.245 3.410 1.00 0.63 N ATOM 269 CA ASN A 142 12.268 -15.515 3.573 1.00 0.63 C ATOM 270 C ASN A 142 12.036 -16.186 2.235 1.00 0.63 C ATOM 271 O ASN A 142 12.564 -15.774 1.204 1.00 0.65 O ATOM 272 CB ASN A 142 10.898 -15.330 4.246 1.00 0.61 C ATOM 273 CG ASN A 142 11.006 -14.828 5.672 1.00 0.81 C ATOM 274 OD1 ASN A 142 11.197 -15.613 6.601 1.00 1.68 O ATOM 275 ND2 ASN A 142 10.866 -13.530 5.863 1.00 1.02 N ATOM 0 H ASN A 142 12.431 -13.551 2.886 1.00 0.63 H new ATOM 0 HA ASN A 142 12.908 -16.134 4.202 1.00 0.63 H new ATOM 0 HB2 ASN A 142 10.304 -14.627 3.662 1.00 0.61 H new ATOM 0 HB3 ASN A 142 10.364 -16.280 4.240 1.00 0.61 H new ATOM 0 HD21 ASN A 142 10.915 -13.145 6.806 1.00 1.02 H new ATOM 0 HD22 ASN A 142 10.709 -12.911 5.067 1.00 1.02 H new ATOM 282 N ASP A 143 11.263 -17.246 2.282 1.00 0.66 N ATOM 283 CA ASP A 143 10.817 -17.936 1.090 1.00 0.67 C ATOM 284 C ASP A 143 9.381 -17.577 0.804 1.00 0.61 C ATOM 285 O ASP A 143 9.087 -16.893 -0.166 1.00 0.57 O ATOM 286 CB ASP A 143 10.960 -19.454 1.223 1.00 0.79 C ATOM 287 CG ASP A 143 12.382 -19.931 1.016 1.00 1.34 C ATOM 288 OD1 ASP A 143 12.800 -20.072 -0.154 1.00 1.77 O ATOM 289 OD2 ASP A 143 13.079 -20.185 2.021 1.00 2.11 O ATOM 0 H ASP A 143 10.923 -17.657 3.151 1.00 0.66 H new ATOM 0 HA ASP A 143 11.450 -17.618 0.262 1.00 0.67 H new ATOM 0 HB2 ASP A 143 10.619 -19.761 2.212 1.00 0.79 H new ATOM 0 HB3 ASP A 143 10.309 -19.940 0.496 1.00 0.79 H new ATOM 294 N TYR A 144 8.494 -18.000 1.704 1.00 0.64 N ATOM 295 CA TYR A 144 7.064 -17.894 1.465 1.00 0.62 C ATOM 296 C TYR A 144 6.483 -16.598 2.016 1.00 0.55 C ATOM 297 O TYR A 144 5.362 -16.249 1.699 1.00 0.53 O ATOM 298 CB TYR A 144 6.319 -19.100 2.047 1.00 0.76 C ATOM 299 CG TYR A 144 4.858 -19.147 1.645 1.00 0.80 C ATOM 300 CD1 TYR A 144 4.477 -19.449 0.341 1.00 1.17 C ATOM 301 CD2 TYR A 144 3.857 -18.910 2.579 1.00 0.98 C ATOM 302 CE1 TYR A 144 3.144 -19.513 -0.016 1.00 1.28 C ATOM 303 CE2 TYR A 144 2.521 -18.970 2.227 1.00 1.09 C ATOM 304 CZ TYR A 144 2.181 -19.193 0.884 1.00 1.08 C ATOM 305 OH TYR A 144 0.839 -19.338 0.577 1.00 1.26 O ATOM 0 H TYR A 144 8.744 -18.417 2.601 1.00 0.64 H new ATOM 0 HA TYR A 144 6.925 -17.883 0.384 1.00 0.62 H new ATOM 0 HB2 TYR A 144 6.810 -20.016 1.718 1.00 0.76 H new ATOM 0 HB3 TYR A 144 6.390 -19.073 3.134 1.00 0.76 H new ATOM 0 HD1 TYR A 144 5.236 -19.636 -0.404 1.00 1.17 H new ATOM 0 HD2 TYR A 144 4.127 -18.675 3.598 1.00 0.98 H new ATOM 0 HE1 TYR A 144 2.868 -19.819 -1.014 1.00 1.28 H new ATOM 0 HE2 TYR A 144 1.751 -18.847 2.974 1.00 1.09 H new ATOM 0 HH TYR A 144 0.296 -19.061 1.344 1.00 1.26 H new ATOM 315 N GLU A 145 7.228 -15.884 2.838 1.00 0.58 N ATOM 316 CA GLU A 145 6.783 -14.568 3.299 1.00 0.54 C ATOM 317 C GLU A 145 7.275 -13.513 2.327 1.00 0.51 C ATOM 318 O GLU A 145 6.581 -12.539 2.045 1.00 0.50 O ATOM 319 CB GLU A 145 7.304 -14.283 4.702 1.00 0.61 C ATOM 320 CG GLU A 145 7.055 -15.423 5.676 1.00 0.76 C ATOM 321 CD GLU A 145 7.388 -15.057 7.104 1.00 1.31 C ATOM 322 OE1 GLU A 145 6.897 -14.017 7.586 1.00 1.71 O ATOM 323 OE2 GLU A 145 8.126 -15.814 7.761 1.00 1.74 O ATOM 0 H GLU A 145 8.134 -16.181 3.201 1.00 0.58 H new ATOM 0 HA GLU A 145 5.694 -14.550 3.338 1.00 0.54 H new ATOM 0 HB2 GLU A 145 8.374 -14.084 4.652 1.00 0.61 H new ATOM 0 HB3 GLU A 145 6.829 -13.379 5.082 1.00 0.61 H new ATOM 0 HG2 GLU A 145 6.009 -15.723 5.617 1.00 0.76 H new ATOM 0 HG3 GLU A 145 7.651 -16.286 5.378 1.00 0.76 H new ATOM 330 N ASP A 146 8.471 -13.714 1.796 1.00 0.54 N ATOM 331 CA ASP A 146 8.900 -12.928 0.656 1.00 0.54 C ATOM 332 C ASP A 146 7.917 -13.138 -0.440 1.00 0.48 C ATOM 333 O ASP A 146 7.484 -12.226 -1.129 1.00 0.51 O ATOM 334 CB ASP A 146 10.232 -13.374 0.114 1.00 0.57 C ATOM 335 CG ASP A 146 11.365 -13.059 1.044 1.00 0.87 C ATOM 336 OD1 ASP A 146 11.135 -13.044 2.259 1.00 1.30 O ATOM 337 OD2 ASP A 146 12.486 -12.790 0.559 1.00 1.38 O ATOM 0 H ASP A 146 9.148 -14.400 2.129 1.00 0.54 H new ATOM 0 HA ASP A 146 8.976 -11.892 0.985 1.00 0.54 H new ATOM 0 HB2 ASP A 146 10.205 -14.448 -0.069 1.00 0.57 H new ATOM 0 HB3 ASP A 146 10.410 -12.891 -0.847 1.00 0.57 H new ATOM 342 N ARG A 147 7.596 -14.394 -0.592 1.00 0.44 N ATOM 343 CA ARG A 147 6.682 -14.818 -1.585 1.00 0.45 C ATOM 344 C ARG A 147 5.292 -14.274 -1.280 1.00 0.38 C ATOM 345 O ARG A 147 4.678 -13.665 -2.142 1.00 0.35 O ATOM 346 CB ARG A 147 6.692 -16.334 -1.651 1.00 0.59 C ATOM 347 CG ARG A 147 5.991 -16.895 -2.871 1.00 0.80 C ATOM 348 CD ARG A 147 4.511 -16.681 -2.814 1.00 0.67 C ATOM 349 NE ARG A 147 3.886 -17.032 -4.086 1.00 1.38 N ATOM 350 CZ ARG A 147 2.667 -17.555 -4.216 1.00 1.78 C ATOM 351 NH1 ARG A 147 1.880 -17.704 -3.160 1.00 1.90 N ATOM 352 NH2 ARG A 147 2.232 -17.917 -5.416 1.00 2.55 N ATOM 0 H ARG A 147 7.972 -15.149 -0.018 1.00 0.44 H new ATOM 0 HA ARG A 147 6.977 -14.429 -2.560 1.00 0.45 H new ATOM 0 HB2 ARG A 147 7.725 -16.682 -1.644 1.00 0.59 H new ATOM 0 HB3 ARG A 147 6.216 -16.731 -0.755 1.00 0.59 H new ATOM 0 HG2 ARG A 147 6.391 -16.423 -3.768 1.00 0.80 H new ATOM 0 HG3 ARG A 147 6.200 -17.962 -2.951 1.00 0.80 H new ATOM 0 HD2 ARG A 147 4.082 -17.285 -2.014 1.00 0.67 H new ATOM 0 HD3 ARG A 147 4.299 -15.639 -2.575 1.00 0.67 H new ATOM 0 HE ARG A 147 4.422 -16.865 -4.938 1.00 1.38 H new ATOM 0 HH11 ARG A 147 2.206 -17.417 -2.237 1.00 1.90 H new ATOM 0 HH12 ARG A 147 0.949 -18.105 -3.271 1.00 1.90 H new ATOM 0 HH21 ARG A 147 2.830 -17.795 -6.233 1.00 2.55 H new ATOM 0 HH22 ARG A 147 1.300 -18.318 -5.521 1.00 2.55 H new ATOM 366 N TYR A 148 4.793 -14.474 -0.061 1.00 0.39 N ATOM 367 CA TYR A 148 3.440 -14.050 0.250 1.00 0.38 C ATOM 368 C TYR A 148 3.313 -12.539 0.144 1.00 0.32 C ATOM 369 O TYR A 148 2.225 -12.035 -0.074 1.00 0.44 O ATOM 370 CB TYR A 148 2.881 -14.624 1.590 1.00 0.53 C ATOM 371 CG TYR A 148 3.442 -14.130 2.910 1.00 0.90 C ATOM 372 CD1 TYR A 148 3.987 -12.878 3.053 1.00 1.93 C ATOM 373 CD2 TYR A 148 3.379 -14.944 4.039 1.00 1.13 C ATOM 374 CE1 TYR A 148 4.463 -12.441 4.264 1.00 2.86 C ATOM 375 CE2 TYR A 148 3.848 -14.505 5.264 1.00 1.93 C ATOM 376 CZ TYR A 148 4.395 -13.244 5.366 1.00 2.73 C ATOM 377 OH TYR A 148 4.871 -12.772 6.570 1.00 3.74 O ATOM 0 H TYR A 148 5.296 -14.917 0.708 1.00 0.39 H new ATOM 0 HA TYR A 148 2.793 -14.491 -0.508 1.00 0.38 H new ATOM 0 HB2 TYR A 148 1.807 -14.437 1.602 1.00 0.53 H new ATOM 0 HB3 TYR A 148 3.016 -15.705 1.563 1.00 0.53 H new ATOM 0 HD1 TYR A 148 4.042 -12.224 2.195 1.00 1.93 H new ATOM 0 HD2 TYR A 148 2.957 -15.935 3.956 1.00 1.13 H new ATOM 0 HE1 TYR A 148 4.895 -11.454 4.346 1.00 2.86 H new ATOM 0 HE2 TYR A 148 3.786 -15.144 6.132 1.00 1.93 H new ATOM 0 HH TYR A 148 5.500 -13.421 6.950 1.00 3.74 H new ATOM 387 N TYR A 149 4.427 -11.816 0.272 1.00 0.27 N ATOM 388 CA TYR A 149 4.445 -10.399 -0.048 1.00 0.25 C ATOM 389 C TYR A 149 4.605 -10.166 -1.561 1.00 0.25 C ATOM 390 O TYR A 149 4.051 -9.209 -2.099 1.00 0.29 O ATOM 391 CB TYR A 149 5.544 -9.679 0.747 1.00 0.35 C ATOM 392 CG TYR A 149 6.583 -8.984 -0.100 1.00 0.31 C ATOM 393 CD1 TYR A 149 6.300 -7.782 -0.725 1.00 0.85 C ATOM 394 CD2 TYR A 149 7.844 -9.531 -0.271 1.00 1.17 C ATOM 395 CE1 TYR A 149 7.247 -7.137 -1.492 1.00 0.80 C ATOM 396 CE2 TYR A 149 8.796 -8.891 -1.036 1.00 1.32 C ATOM 397 CZ TYR A 149 8.489 -7.721 -1.670 1.00 0.63 C ATOM 398 OH TYR A 149 9.443 -7.068 -2.414 1.00 0.81 O ATOM 0 H TYR A 149 5.320 -12.191 0.593 1.00 0.27 H new ATOM 0 HA TYR A 149 3.484 -9.976 0.244 1.00 0.25 H new ATOM 0 HB2 TYR A 149 5.077 -8.943 1.402 1.00 0.35 H new ATOM 0 HB3 TYR A 149 6.044 -10.405 1.389 1.00 0.35 H new ATOM 0 HD1 TYR A 149 5.321 -7.342 -0.610 1.00 0.85 H new ATOM 0 HD2 TYR A 149 8.085 -10.472 0.201 1.00 1.17 H new ATOM 0 HE1 TYR A 149 7.022 -6.185 -1.950 1.00 0.80 H new ATOM 0 HE2 TYR A 149 9.784 -9.315 -1.134 1.00 1.32 H new ATOM 0 HH TYR A 149 9.180 -7.071 -3.358 1.00 0.81 H new ATOM 408 N ARG A 150 5.349 -11.033 -2.247 1.00 0.27 N ATOM 409 CA ARG A 150 5.579 -10.863 -3.686 1.00 0.30 C ATOM 410 C ARG A 150 4.312 -11.159 -4.467 1.00 0.33 C ATOM 411 O ARG A 150 4.165 -10.763 -5.610 1.00 0.40 O ATOM 412 CB ARG A 150 6.707 -11.762 -4.210 1.00 0.32 C ATOM 413 CG ARG A 150 6.250 -13.152 -4.613 1.00 0.78 C ATOM 414 CD ARG A 150 7.122 -13.726 -5.716 1.00 0.83 C ATOM 415 NE ARG A 150 6.846 -13.090 -7.006 1.00 0.94 N ATOM 416 CZ ARG A 150 7.670 -13.125 -8.054 1.00 1.23 C ATOM 417 NH1 ARG A 150 8.876 -13.674 -7.944 1.00 1.61 N ATOM 418 NH2 ARG A 150 7.288 -12.583 -9.207 1.00 1.36 N ATOM 0 H ARG A 150 5.799 -11.852 -1.838 1.00 0.27 H new ATOM 0 HA ARG A 150 5.876 -9.824 -3.830 1.00 0.30 H new ATOM 0 HB2 ARG A 150 7.173 -11.280 -5.070 1.00 0.32 H new ATOM 0 HB3 ARG A 150 7.474 -11.851 -3.441 1.00 0.32 H new ATOM 0 HG2 ARG A 150 6.278 -13.811 -3.745 1.00 0.78 H new ATOM 0 HG3 ARG A 150 5.214 -13.112 -4.950 1.00 0.78 H new ATOM 0 HD2 ARG A 150 8.172 -13.589 -5.459 1.00 0.83 H new ATOM 0 HD3 ARG A 150 6.951 -14.800 -5.795 1.00 0.83 H new ATOM 0 HE ARG A 150 5.965 -12.587 -7.110 1.00 0.94 H new ATOM 0 HH11 ARG A 150 9.176 -14.072 -7.054 1.00 1.61 H new ATOM 0 HH12 ARG A 150 9.501 -13.697 -8.750 1.00 1.61 H new ATOM 0 HH21 ARG A 150 6.370 -12.145 -9.285 1.00 1.36 H new ATOM 0 HH22 ARG A 150 7.913 -12.606 -10.013 1.00 1.36 H new ATOM 432 N GLU A 151 3.409 -11.884 -3.845 1.00 0.36 N ATOM 433 CA GLU A 151 2.134 -12.179 -4.445 1.00 0.45 C ATOM 434 C GLU A 151 1.149 -11.162 -3.903 1.00 0.49 C ATOM 435 O GLU A 151 0.143 -10.838 -4.519 1.00 0.59 O ATOM 436 CB GLU A 151 1.701 -13.600 -4.116 1.00 0.57 C ATOM 437 CG GLU A 151 1.809 -13.904 -2.651 1.00 0.82 C ATOM 438 CD GLU A 151 0.869 -15.000 -2.200 1.00 1.60 C ATOM 439 OE1 GLU A 151 -0.263 -15.076 -2.731 1.00 2.11 O ATOM 440 OE2 GLU A 151 1.265 -15.799 -1.328 1.00 2.16 O ATOM 0 H GLU A 151 3.540 -12.282 -2.915 1.00 0.36 H new ATOM 0 HA GLU A 151 2.187 -12.115 -5.532 1.00 0.45 H new ATOM 0 HB2 GLU A 151 0.671 -13.748 -4.440 1.00 0.57 H new ATOM 0 HB3 GLU A 151 2.316 -14.304 -4.677 1.00 0.57 H new ATOM 0 HG2 GLU A 151 2.834 -14.196 -2.421 1.00 0.82 H new ATOM 0 HG3 GLU A 151 1.600 -12.998 -2.082 1.00 0.82 H new ATOM 447 N ASN A 152 1.502 -10.653 -2.721 1.00 0.45 N ATOM 448 CA ASN A 152 0.820 -9.541 -2.052 1.00 0.50 C ATOM 449 C ASN A 152 1.026 -8.261 -2.845 1.00 0.55 C ATOM 450 O ASN A 152 0.515 -7.204 -2.534 1.00 0.88 O ATOM 451 CB ASN A 152 1.352 -9.466 -0.602 1.00 0.46 C ATOM 452 CG ASN A 152 1.454 -8.091 0.048 1.00 0.51 C ATOM 453 OD1 ASN A 152 0.595 -7.239 -0.080 1.00 0.85 O ATOM 454 ND2 ASN A 152 2.547 -7.873 0.764 1.00 0.67 N ATOM 0 H ASN A 152 2.293 -11.013 -2.187 1.00 0.45 H new ATOM 0 HA ASN A 152 -0.259 -9.692 -2.006 1.00 0.50 H new ATOM 0 HB2 ASN A 152 0.708 -10.085 0.023 1.00 0.46 H new ATOM 0 HB3 ASN A 152 2.343 -9.919 -0.585 1.00 0.46 H new ATOM 0 HD21 ASN A 152 2.684 -6.973 1.224 1.00 0.67 H new ATOM 0 HD22 ASN A 152 3.252 -8.605 0.855 1.00 0.67 H new ATOM 461 N MET A 153 1.793 -8.354 -3.888 1.00 0.43 N ATOM 462 CA MET A 153 1.903 -7.250 -4.795 1.00 0.46 C ATOM 463 C MET A 153 0.932 -7.434 -5.970 1.00 0.51 C ATOM 464 O MET A 153 0.689 -6.514 -6.752 1.00 0.63 O ATOM 465 CB MET A 153 3.354 -7.126 -5.215 1.00 0.42 C ATOM 466 CG MET A 153 3.638 -6.245 -6.432 1.00 0.92 C ATOM 467 SD MET A 153 3.284 -7.067 -7.991 1.00 1.27 S ATOM 468 CE MET A 153 3.754 -8.718 -7.532 1.00 1.39 C ATOM 0 H MET A 153 2.348 -9.174 -4.132 1.00 0.43 H new ATOM 0 HA MET A 153 1.615 -6.312 -4.320 1.00 0.46 H new ATOM 0 HB2 MET A 153 3.922 -6.735 -4.371 1.00 0.42 H new ATOM 0 HB3 MET A 153 3.737 -8.126 -5.421 1.00 0.42 H new ATOM 0 HG2 MET A 153 3.041 -5.336 -6.363 1.00 0.92 H new ATOM 0 HG3 MET A 153 4.685 -5.941 -6.417 1.00 0.92 H new ATOM 0 HE1 MET A 153 3.931 -9.309 -8.431 1.00 1.39 H new ATOM 0 HE2 MET A 153 4.665 -8.684 -6.935 1.00 1.39 H new ATOM 0 HE3 MET A 153 2.955 -9.175 -6.949 1.00 1.39 H new ATOM 478 N TYR A 154 0.325 -8.619 -6.037 1.00 0.49 N ATOM 479 CA TYR A 154 -0.627 -8.950 -7.093 1.00 0.55 C ATOM 480 C TYR A 154 -2.051 -9.055 -6.528 1.00 0.47 C ATOM 481 O TYR A 154 -2.982 -8.434 -7.048 1.00 0.59 O ATOM 482 CB TYR A 154 -0.224 -10.268 -7.751 1.00 0.66 C ATOM 483 CG TYR A 154 -0.906 -10.529 -9.074 1.00 1.18 C ATOM 484 CD1 TYR A 154 -0.490 -9.891 -10.234 1.00 1.57 C ATOM 485 CD2 TYR A 154 -1.977 -11.410 -9.157 1.00 2.12 C ATOM 486 CE1 TYR A 154 -1.119 -10.125 -11.441 1.00 2.39 C ATOM 487 CE2 TYR A 154 -2.612 -11.648 -10.358 1.00 3.05 C ATOM 488 CZ TYR A 154 -2.143 -11.015 -11.513 1.00 3.08 C ATOM 489 OH TYR A 154 -2.815 -11.236 -12.693 1.00 4.05 O ATOM 0 H TYR A 154 0.479 -9.371 -5.365 1.00 0.49 H new ATOM 0 HA TYR A 154 -0.614 -8.155 -7.838 1.00 0.55 H new ATOM 0 HB2 TYR A 154 0.855 -10.271 -7.904 1.00 0.66 H new ATOM 0 HB3 TYR A 154 -0.452 -11.087 -7.069 1.00 0.66 H new ATOM 0 HD1 TYR A 154 0.339 -9.200 -10.192 1.00 1.57 H new ATOM 0 HD2 TYR A 154 -2.318 -11.917 -8.266 1.00 2.12 H new ATOM 0 HE1 TYR A 154 -0.797 -9.600 -12.328 1.00 2.39 H new ATOM 0 HE2 TYR A 154 -3.460 -12.315 -10.406 1.00 3.05 H new ATOM 0 HH TYR A 154 -3.515 -11.907 -12.550 1.00 4.05 H new ATOM 499 N ARG A 155 -2.204 -9.850 -5.466 1.00 0.37 N ATOM 500 CA ARG A 155 -3.471 -9.975 -4.748 1.00 0.36 C ATOM 501 C ARG A 155 -3.765 -8.665 -4.053 1.00 0.31 C ATOM 502 O ARG A 155 -4.832 -8.074 -4.181 1.00 0.41 O ATOM 503 CB ARG A 155 -3.364 -11.098 -3.738 1.00 0.43 C ATOM 504 CG ARG A 155 -2.273 -10.935 -2.705 1.00 0.63 C ATOM 505 CD ARG A 155 -1.649 -12.279 -2.414 1.00 0.58 C ATOM 506 NE ARG A 155 -0.755 -12.251 -1.276 1.00 0.78 N ATOM 507 CZ ARG A 155 -1.069 -12.789 -0.106 1.00 1.20 C ATOM 508 NH1 ARG A 155 -2.304 -13.220 0.122 1.00 1.05 N ATOM 509 NH2 ARG A 155 -0.168 -12.867 0.855 1.00 1.89 N ATOM 0 H ARG A 155 -1.453 -10.424 -5.082 1.00 0.37 H new ATOM 0 HA ARG A 155 -4.281 -10.204 -5.441 1.00 0.36 H new ATOM 0 HB2 ARG A 155 -4.319 -11.193 -3.222 1.00 0.43 H new ATOM 0 HB3 ARG A 155 -3.197 -12.032 -4.274 1.00 0.43 H new ATOM 0 HG2 ARG A 155 -1.515 -10.241 -3.068 1.00 0.63 H new ATOM 0 HG3 ARG A 155 -2.684 -10.508 -1.791 1.00 0.63 H new ATOM 0 HD2 ARG A 155 -2.438 -13.008 -2.232 1.00 0.58 H new ATOM 0 HD3 ARG A 155 -1.100 -12.617 -3.293 1.00 0.58 H new ATOM 0 HE ARG A 155 0.154 -11.799 -1.379 1.00 0.78 H new ATOM 0 HH11 ARG A 155 -3.015 -13.138 -0.605 1.00 1.05 H new ATOM 0 HH12 ARG A 155 -2.542 -13.633 1.024 1.00 1.05 H new ATOM 0 HH21 ARG A 155 0.776 -12.512 0.699 1.00 1.89 H new ATOM 0 HH22 ARG A 155 -0.415 -13.282 1.753 1.00 1.89 H new ATOM 523 N TYR A 156 -2.764 -8.214 -3.348 1.00 0.27 N ATOM 524 CA TYR A 156 -2.738 -6.911 -2.765 1.00 0.28 C ATOM 525 C TYR A 156 -1.992 -6.093 -3.752 1.00 0.39 C ATOM 526 O TYR A 156 -1.296 -6.666 -4.572 1.00 0.78 O ATOM 527 CB TYR A 156 -2.015 -6.988 -1.446 1.00 0.35 C ATOM 528 CG TYR A 156 -2.647 -7.993 -0.533 1.00 0.95 C ATOM 529 CD1 TYR A 156 -4.014 -7.994 -0.329 1.00 1.51 C ATOM 530 CD2 TYR A 156 -1.884 -8.949 0.111 1.00 1.36 C ATOM 531 CE1 TYR A 156 -4.601 -8.920 0.493 1.00 2.14 C ATOM 532 CE2 TYR A 156 -2.464 -9.877 0.937 1.00 1.99 C ATOM 533 CZ TYR A 156 -3.822 -9.857 1.124 1.00 2.31 C ATOM 534 OH TYR A 156 -4.407 -10.771 1.949 1.00 2.98 O ATOM 0 H TYR A 156 -1.924 -8.761 -3.161 1.00 0.27 H new ATOM 0 HA TYR A 156 -3.723 -6.490 -2.563 1.00 0.28 H new ATOM 0 HB2 TYR A 156 -0.972 -7.255 -1.616 1.00 0.35 H new ATOM 0 HB3 TYR A 156 -2.020 -6.008 -0.969 1.00 0.35 H new ATOM 0 HD1 TYR A 156 -4.627 -7.256 -0.824 1.00 1.51 H new ATOM 0 HD2 TYR A 156 -0.815 -8.965 -0.039 1.00 1.36 H new ATOM 0 HE1 TYR A 156 -5.670 -8.912 0.643 1.00 2.14 H new ATOM 0 HE2 TYR A 156 -1.856 -10.617 1.436 1.00 1.99 H new ATOM 0 HH TYR A 156 -5.207 -10.379 2.357 1.00 2.98 H new ATOM 544 N PRO A 157 -2.105 -4.795 -3.785 1.00 0.28 N ATOM 545 CA PRO A 157 -1.461 -4.093 -4.839 1.00 0.29 C ATOM 546 C PRO A 157 -0.101 -3.566 -4.435 1.00 0.34 C ATOM 547 O PRO A 157 0.388 -3.802 -3.326 1.00 0.66 O ATOM 548 CB PRO A 157 -2.425 -2.945 -5.045 1.00 0.31 C ATOM 549 CG PRO A 157 -2.742 -2.570 -3.639 1.00 0.32 C ATOM 550 CD PRO A 157 -2.862 -3.886 -2.899 1.00 0.33 C ATOM 0 HA PRO A 157 -1.268 -4.709 -5.717 1.00 0.29 H new ATOM 0 HB2 PRO A 157 -1.971 -2.122 -5.597 1.00 0.31 H new ATOM 0 HB3 PRO A 157 -3.313 -3.249 -5.599 1.00 0.31 H new ATOM 0 HG2 PRO A 157 -1.957 -1.947 -3.210 1.00 0.32 H new ATOM 0 HG3 PRO A 157 -3.669 -1.999 -3.582 1.00 0.32 H new ATOM 0 HD2 PRO A 157 -2.431 -3.835 -1.899 1.00 0.33 H new ATOM 0 HD3 PRO A 157 -3.900 -4.198 -2.783 1.00 0.33 H new ATOM 558 N ASN A 158 0.495 -2.843 -5.340 1.00 0.32 N ATOM 559 CA ASN A 158 1.678 -2.085 -5.046 1.00 0.31 C ATOM 560 C ASN A 158 1.406 -0.625 -5.365 1.00 0.33 C ATOM 561 O ASN A 158 2.183 0.060 -6.017 1.00 0.42 O ATOM 562 CB ASN A 158 2.881 -2.666 -5.784 1.00 0.40 C ATOM 563 CG ASN A 158 2.771 -2.705 -7.317 1.00 0.74 C ATOM 564 OD1 ASN A 158 3.279 -3.631 -7.943 1.00 1.47 O ATOM 565 ND2 ASN A 158 2.151 -1.711 -7.935 1.00 1.42 N ATOM 0 H ASN A 158 0.174 -2.762 -6.305 1.00 0.32 H new ATOM 0 HA ASN A 158 1.931 -2.147 -3.988 1.00 0.31 H new ATOM 0 HB2 ASN A 158 3.763 -2.084 -5.517 1.00 0.40 H new ATOM 0 HB3 ASN A 158 3.048 -3.681 -5.425 1.00 0.40 H new ATOM 0 HD21 ASN A 158 2.088 -1.704 -8.953 1.00 1.42 H new ATOM 0 HD22 ASN A 158 1.737 -0.953 -7.393 1.00 1.42 H new ATOM 572 N GLN A 159 0.274 -0.173 -4.868 1.00 0.30 N ATOM 573 CA GLN A 159 -0.244 1.153 -5.143 1.00 0.31 C ATOM 574 C GLN A 159 -1.248 1.509 -4.064 1.00 0.28 C ATOM 575 O GLN A 159 -1.807 0.610 -3.438 1.00 0.29 O ATOM 576 CB GLN A 159 -0.916 1.153 -6.511 1.00 0.38 C ATOM 577 CG GLN A 159 -1.879 -0.012 -6.699 1.00 0.44 C ATOM 578 CD GLN A 159 -2.394 -0.150 -8.117 1.00 0.92 C ATOM 579 OE1 GLN A 159 -1.775 -0.803 -8.952 1.00 1.63 O ATOM 580 NE2 GLN A 159 -3.552 0.426 -8.386 1.00 1.50 N ATOM 0 H GLN A 159 -0.323 -0.725 -4.251 1.00 0.30 H new ATOM 0 HA GLN A 159 0.562 1.887 -5.147 1.00 0.31 H new ATOM 0 HB2 GLN A 159 -1.457 2.090 -6.644 1.00 0.38 H new ATOM 0 HB3 GLN A 159 -0.151 1.114 -7.286 1.00 0.38 H new ATOM 0 HG2 GLN A 159 -1.378 -0.937 -6.412 1.00 0.44 H new ATOM 0 HG3 GLN A 159 -2.726 0.115 -6.024 1.00 0.44 H new ATOM 0 HE21 GLN A 159 -4.036 0.961 -7.664 1.00 1.50 H new ATOM 0 HE22 GLN A 159 -3.963 0.336 -9.315 1.00 1.50 H new ATOM 589 N VAL A 160 -1.499 2.788 -3.840 1.00 0.30 N ATOM 590 CA VAL A 160 -2.388 3.178 -2.774 1.00 0.28 C ATOM 591 C VAL A 160 -3.392 4.209 -3.217 1.00 0.31 C ATOM 592 O VAL A 160 -3.265 4.806 -4.272 1.00 0.53 O ATOM 593 CB VAL A 160 -1.646 3.709 -1.554 1.00 0.28 C ATOM 594 CG1 VAL A 160 -1.301 2.566 -0.617 1.00 0.30 C ATOM 595 CG2 VAL A 160 -0.409 4.480 -1.977 1.00 0.29 C ATOM 0 H VAL A 160 -1.103 3.560 -4.377 1.00 0.30 H new ATOM 0 HA VAL A 160 -2.912 2.264 -2.495 1.00 0.28 H new ATOM 0 HB VAL A 160 -2.293 4.401 -1.015 1.00 0.28 H new ATOM 0 HG11 VAL A 160 -0.771 2.955 0.252 1.00 0.30 H new ATOM 0 HG12 VAL A 160 -2.217 2.073 -0.292 1.00 0.30 H new ATOM 0 HG13 VAL A 160 -0.667 1.848 -1.137 1.00 0.30 H new ATOM 0 HG21 VAL A 160 0.108 4.852 -1.092 1.00 0.29 H new ATOM 0 HG22 VAL A 160 0.256 3.822 -2.537 1.00 0.29 H new ATOM 0 HG23 VAL A 160 -0.702 5.321 -2.606 1.00 0.29 H new ATOM 605 N TYR A 161 -4.396 4.409 -2.409 1.00 0.32 N ATOM 606 CA TYR A 161 -5.464 5.301 -2.757 1.00 0.36 C ATOM 607 C TYR A 161 -5.529 6.474 -1.811 1.00 0.34 C ATOM 608 O TYR A 161 -5.846 6.327 -0.632 1.00 0.42 O ATOM 609 CB TYR A 161 -6.775 4.554 -2.739 1.00 0.49 C ATOM 610 CG TYR A 161 -6.911 3.545 -3.848 1.00 0.44 C ATOM 611 CD1 TYR A 161 -7.113 3.938 -5.163 1.00 0.65 C ATOM 612 CD2 TYR A 161 -6.829 2.190 -3.568 1.00 0.38 C ATOM 613 CE1 TYR A 161 -7.229 3.002 -6.171 1.00 0.74 C ATOM 614 CE2 TYR A 161 -6.943 1.248 -4.565 1.00 0.49 C ATOM 615 CZ TYR A 161 -7.143 1.659 -5.866 1.00 0.63 C ATOM 616 OH TYR A 161 -7.263 0.724 -6.864 1.00 0.82 O ATOM 0 H TYR A 161 -4.496 3.962 -1.498 1.00 0.32 H new ATOM 0 HA TYR A 161 -5.274 5.686 -3.759 1.00 0.36 H new ATOM 0 HB2 TYR A 161 -6.880 4.044 -1.781 1.00 0.49 H new ATOM 0 HB3 TYR A 161 -7.593 5.271 -2.810 1.00 0.49 H new ATOM 0 HD1 TYR A 161 -7.180 4.989 -5.401 1.00 0.65 H new ATOM 0 HD2 TYR A 161 -6.673 1.868 -2.549 1.00 0.38 H new ATOM 0 HE1 TYR A 161 -7.386 3.319 -7.192 1.00 0.74 H new ATOM 0 HE2 TYR A 161 -6.876 0.196 -4.330 1.00 0.49 H new ATOM 0 HH TYR A 161 -7.178 -0.175 -6.482 1.00 0.82 H new ATOM 626 N TYR A 162 -5.226 7.634 -2.337 1.00 0.31 N ATOM 627 CA TYR A 162 -5.318 8.859 -1.586 1.00 0.27 C ATOM 628 C TYR A 162 -5.395 9.996 -2.574 1.00 0.31 C ATOM 629 O TYR A 162 -5.221 9.776 -3.732 1.00 0.55 O ATOM 630 CB TYR A 162 -4.135 9.020 -0.629 1.00 0.39 C ATOM 631 CG TYR A 162 -2.774 9.123 -1.284 1.00 0.46 C ATOM 632 CD1 TYR A 162 -2.310 10.330 -1.772 1.00 0.89 C ATOM 633 CD2 TYR A 162 -1.949 8.015 -1.399 1.00 0.77 C ATOM 634 CE1 TYR A 162 -1.072 10.440 -2.360 1.00 1.29 C ATOM 635 CE2 TYR A 162 -0.703 8.114 -1.986 1.00 1.16 C ATOM 636 CZ TYR A 162 -0.271 9.331 -2.465 1.00 1.35 C ATOM 637 OH TYR A 162 0.959 9.442 -3.057 1.00 1.82 O ATOM 0 H TYR A 162 -4.908 7.755 -3.299 1.00 0.31 H new ATOM 0 HA TYR A 162 -6.210 8.850 -0.960 1.00 0.27 H new ATOM 0 HB2 TYR A 162 -4.297 9.914 -0.026 1.00 0.39 H new ATOM 0 HB3 TYR A 162 -4.126 8.172 0.055 1.00 0.39 H new ATOM 0 HD1 TYR A 162 -2.934 11.207 -1.690 1.00 0.89 H new ATOM 0 HD2 TYR A 162 -2.286 7.060 -1.024 1.00 0.77 H new ATOM 0 HE1 TYR A 162 -0.732 11.393 -2.737 1.00 1.29 H new ATOM 0 HE2 TYR A 162 -0.071 7.242 -2.069 1.00 1.16 H new ATOM 0 HH TYR A 162 1.055 8.750 -3.744 1.00 1.82 H new ATOM 647 N ARG A 163 -5.694 11.182 -2.139 1.00 0.26 N ATOM 648 CA ARG A 163 -5.725 12.328 -3.029 1.00 0.32 C ATOM 649 C ARG A 163 -4.414 13.075 -2.840 1.00 0.36 C ATOM 650 O ARG A 163 -3.673 12.739 -1.925 1.00 0.41 O ATOM 651 CB ARG A 163 -6.908 13.225 -2.716 1.00 0.41 C ATOM 652 CG ARG A 163 -6.714 14.023 -1.449 1.00 0.75 C ATOM 653 CD ARG A 163 -7.571 15.269 -1.465 1.00 1.28 C ATOM 654 NE ARG A 163 -7.412 16.062 -0.248 1.00 1.93 N ATOM 655 CZ ARG A 163 -8.427 16.519 0.484 1.00 2.58 C ATOM 656 NH1 ARG A 163 -9.677 16.194 0.178 1.00 2.91 N ATOM 657 NH2 ARG A 163 -8.194 17.285 1.541 1.00 3.26 N ATOM 0 H ARG A 163 -5.923 11.394 -1.168 1.00 0.26 H new ATOM 0 HA ARG A 163 -5.839 12.007 -4.064 1.00 0.32 H new ATOM 0 HB2 ARG A 163 -7.071 13.908 -3.549 1.00 0.41 H new ATOM 0 HB3 ARG A 163 -7.807 12.615 -2.623 1.00 0.41 H new ATOM 0 HG2 ARG A 163 -6.971 13.410 -0.585 1.00 0.75 H new ATOM 0 HG3 ARG A 163 -5.665 14.299 -1.344 1.00 0.75 H new ATOM 0 HD2 ARG A 163 -7.309 15.878 -2.330 1.00 1.28 H new ATOM 0 HD3 ARG A 163 -8.618 14.987 -1.579 1.00 1.28 H new ATOM 0 HE ARG A 163 -6.464 16.279 0.060 1.00 1.93 H new ATOM 0 HH11 ARG A 163 -9.866 15.590 -0.622 1.00 2.91 H new ATOM 0 HH12 ARG A 163 -10.449 16.548 0.743 1.00 2.91 H new ATOM 0 HH21 ARG A 163 -7.236 17.526 1.795 1.00 3.26 H new ATOM 0 HH22 ARG A 163 -8.973 17.634 2.100 1.00 3.26 H new ATOM 671 N PRO A 164 -4.086 14.113 -3.623 1.00 0.45 N ATOM 672 CA PRO A 164 -2.714 14.580 -3.670 1.00 0.51 C ATOM 673 C PRO A 164 -2.448 15.593 -2.575 1.00 0.51 C ATOM 674 O PRO A 164 -3.074 16.652 -2.480 1.00 0.57 O ATOM 675 CB PRO A 164 -2.649 15.238 -5.038 1.00 0.65 C ATOM 676 CG PRO A 164 -4.009 15.815 -5.240 1.00 0.80 C ATOM 677 CD PRO A 164 -4.965 14.890 -4.524 1.00 0.53 C ATOM 0 HA PRO A 164 -1.977 13.791 -3.523 1.00 0.51 H new ATOM 0 HB2 PRO A 164 -1.881 16.011 -5.071 1.00 0.65 H new ATOM 0 HB3 PRO A 164 -2.406 14.514 -5.816 1.00 0.65 H new ATOM 0 HG2 PRO A 164 -4.068 16.826 -4.836 1.00 0.80 H new ATOM 0 HG3 PRO A 164 -4.251 15.881 -6.301 1.00 0.80 H new ATOM 0 HD2 PRO A 164 -5.720 15.446 -3.967 1.00 0.53 H new ATOM 0 HD3 PRO A 164 -5.496 14.243 -5.222 1.00 0.53 H new ATOM 685 N VAL A 165 -1.513 15.210 -1.724 1.00 0.52 N ATOM 686 CA VAL A 165 -1.413 15.769 -0.398 1.00 0.50 C ATOM 687 C VAL A 165 -0.037 16.310 -0.089 1.00 0.49 C ATOM 688 O VAL A 165 0.972 15.879 -0.648 1.00 0.47 O ATOM 689 CB VAL A 165 -1.767 14.718 0.663 1.00 0.50 C ATOM 690 CG1 VAL A 165 -3.258 14.445 0.659 1.00 1.31 C ATOM 691 CG2 VAL A 165 -0.974 13.444 0.425 1.00 1.15 C ATOM 0 H VAL A 165 -0.807 14.505 -1.936 1.00 0.52 H new ATOM 0 HA VAL A 165 -2.121 16.597 -0.371 1.00 0.50 H new ATOM 0 HB VAL A 165 -1.500 15.104 1.647 1.00 0.50 H new ATOM 0 HG11 VAL A 165 -3.493 13.698 1.417 1.00 1.31 H new ATOM 0 HG12 VAL A 165 -3.797 15.366 0.879 1.00 1.31 H new ATOM 0 HG13 VAL A 165 -3.557 14.074 -0.321 1.00 1.31 H new ATOM 0 HG21 VAL A 165 -1.234 12.706 1.184 1.00 1.15 H new ATOM 0 HG22 VAL A 165 -1.210 13.047 -0.562 1.00 1.15 H new ATOM 0 HG23 VAL A 165 0.092 13.663 0.482 1.00 1.15 H new ATOM 701 N ASP A 166 -0.044 17.233 0.852 1.00 0.62 N ATOM 702 CA ASP A 166 1.131 17.950 1.303 1.00 0.67 C ATOM 703 C ASP A 166 0.635 19.035 2.261 1.00 0.90 C ATOM 704 O ASP A 166 1.171 20.133 2.371 1.00 1.48 O ATOM 705 CB ASP A 166 1.895 18.504 0.084 1.00 0.62 C ATOM 706 CG ASP A 166 2.949 19.542 0.433 1.00 0.70 C ATOM 707 OD1 ASP A 166 3.912 19.197 1.150 1.00 0.90 O ATOM 708 OD2 ASP A 166 2.811 20.706 -0.006 1.00 1.07 O ATOM 0 H ASP A 166 -0.895 17.513 1.339 1.00 0.62 H new ATOM 0 HA ASP A 166 1.841 17.314 1.831 1.00 0.67 H new ATOM 0 HB2 ASP A 166 2.374 17.676 -0.438 1.00 0.62 H new ATOM 0 HB3 ASP A 166 1.180 18.947 -0.609 1.00 0.62 H new ATOM 713 N GLN A 167 -0.409 18.666 2.994 1.00 0.75 N ATOM 714 CA GLN A 167 -1.154 19.604 3.817 1.00 0.96 C ATOM 715 C GLN A 167 -1.346 19.057 5.230 1.00 0.87 C ATOM 716 O GLN A 167 -2.130 19.592 6.012 1.00 1.10 O ATOM 717 CB GLN A 167 -2.513 19.869 3.157 1.00 1.34 C ATOM 718 CG GLN A 167 -3.336 18.601 2.951 1.00 1.50 C ATOM 719 CD GLN A 167 -4.494 18.782 1.985 1.00 2.16 C ATOM 720 OE1 GLN A 167 -5.531 18.134 2.117 1.00 2.71 O ATOM 721 NE2 GLN A 167 -4.317 19.641 0.995 1.00 2.72 N ATOM 0 H GLN A 167 -0.760 17.709 3.033 1.00 0.75 H new ATOM 0 HA GLN A 167 -0.594 20.536 3.897 1.00 0.96 H new ATOM 0 HB2 GLN A 167 -3.080 20.567 3.774 1.00 1.34 H new ATOM 0 HB3 GLN A 167 -2.354 20.352 2.193 1.00 1.34 H new ATOM 0 HG2 GLN A 167 -2.684 17.810 2.580 1.00 1.50 H new ATOM 0 HG3 GLN A 167 -3.725 18.269 3.914 1.00 1.50 H new ATOM 0 HE21 GLN A 167 -3.442 20.160 0.920 1.00 2.72 H new ATOM 0 HE22 GLN A 167 -5.056 19.785 0.306 1.00 2.72 H new ATOM 730 N TYR A 168 -0.629 17.987 5.550 1.00 0.82 N ATOM 731 CA TYR A 168 -0.741 17.358 6.859 1.00 0.92 C ATOM 732 C TYR A 168 0.601 17.376 7.575 1.00 0.95 C ATOM 733 O TYR A 168 1.631 17.701 6.977 1.00 1.61 O ATOM 734 CB TYR A 168 -1.232 15.912 6.732 1.00 1.02 C ATOM 735 CG TYR A 168 -2.657 15.773 6.243 1.00 1.24 C ATOM 736 CD1 TYR A 168 -3.731 15.919 7.114 1.00 1.62 C ATOM 737 CD2 TYR A 168 -2.926 15.507 4.907 1.00 2.02 C ATOM 738 CE1 TYR A 168 -5.032 15.805 6.663 1.00 2.11 C ATOM 739 CE2 TYR A 168 -4.224 15.390 4.451 1.00 2.63 C ATOM 740 CZ TYR A 168 -5.278 15.499 5.357 1.00 2.50 C ATOM 741 OH TYR A 168 -6.569 15.428 4.878 1.00 3.21 O ATOM 0 H TYR A 168 0.036 17.537 4.921 1.00 0.82 H new ATOM 0 HA TYR A 168 -1.467 17.927 7.440 1.00 0.92 H new ATOM 0 HB2 TYR A 168 -0.573 15.377 6.048 1.00 1.02 H new ATOM 0 HB3 TYR A 168 -1.146 15.426 7.704 1.00 1.02 H new ATOM 0 HD1 TYR A 168 -3.546 16.124 8.158 1.00 1.62 H new ATOM 0 HD2 TYR A 168 -2.107 15.390 4.213 1.00 2.02 H new ATOM 0 HE1 TYR A 168 -5.855 15.958 7.345 1.00 2.11 H new ATOM 0 HE2 TYR A 168 -4.421 15.216 3.403 1.00 2.63 H new ATOM 0 HH TYR A 168 -6.552 15.199 3.925 1.00 3.21 H new ATOM 751 N SER A 169 0.585 17.030 8.851 1.00 1.17 N ATOM 752 CA SER A 169 1.802 16.954 9.638 1.00 1.17 C ATOM 753 C SER A 169 2.104 15.501 10.010 1.00 1.05 C ATOM 754 O SER A 169 3.250 15.143 10.279 1.00 1.12 O ATOM 755 CB SER A 169 1.665 17.820 10.891 1.00 1.40 C ATOM 756 OG SER A 169 1.274 19.142 10.545 1.00 1.94 O ATOM 0 H SER A 169 -0.264 16.796 9.366 1.00 1.17 H new ATOM 0 HA SER A 169 2.635 17.331 9.045 1.00 1.17 H new ATOM 0 HB2 SER A 169 0.928 17.381 11.564 1.00 1.40 H new ATOM 0 HB3 SER A 169 2.613 17.844 11.428 1.00 1.40 H new ATOM 0 HG SER A 169 1.189 19.682 11.359 1.00 1.94 H new ATOM 762 N ASN A 170 1.069 14.670 10.015 1.00 0.98 N ATOM 763 CA ASN A 170 1.227 13.249 10.308 1.00 0.89 C ATOM 764 C ASN A 170 1.087 12.437 9.031 1.00 0.68 C ATOM 765 O ASN A 170 -0.016 12.268 8.510 1.00 0.75 O ATOM 766 CB ASN A 170 0.193 12.782 11.337 1.00 1.08 C ATOM 767 CG ASN A 170 0.295 13.531 12.649 1.00 1.74 C ATOM 768 OD1 ASN A 170 -0.332 14.576 12.830 1.00 2.20 O ATOM 769 ND2 ASN A 170 1.084 13.009 13.576 1.00 2.25 N ATOM 0 H ASN A 170 0.109 14.955 9.819 1.00 0.98 H new ATOM 0 HA ASN A 170 2.221 13.096 10.727 1.00 0.89 H new ATOM 0 HB2 ASN A 170 -0.808 12.913 10.925 1.00 1.08 H new ATOM 0 HB3 ASN A 170 0.325 11.716 11.521 1.00 1.08 H new ATOM 0 HD21 ASN A 170 1.189 13.474 14.478 1.00 2.25 H new ATOM 0 HD22 ASN A 170 1.587 12.142 13.388 1.00 2.25 H new ATOM 776 N GLN A 171 2.204 11.928 8.528 1.00 0.63 N ATOM 777 CA GLN A 171 2.208 11.232 7.249 1.00 0.56 C ATOM 778 C GLN A 171 1.727 9.798 7.411 1.00 0.47 C ATOM 779 O GLN A 171 1.181 9.215 6.485 1.00 0.60 O ATOM 780 CB GLN A 171 3.601 11.255 6.596 1.00 0.86 C ATOM 781 CG GLN A 171 4.636 10.321 7.220 1.00 0.71 C ATOM 782 CD GLN A 171 5.122 10.782 8.579 1.00 1.11 C ATOM 783 OE1 GLN A 171 6.058 11.567 8.676 1.00 1.63 O ATOM 784 NE2 GLN A 171 4.514 10.270 9.636 1.00 1.41 N ATOM 0 H GLN A 171 3.115 11.984 8.984 1.00 0.63 H new ATOM 0 HA GLN A 171 1.519 11.761 6.590 1.00 0.56 H new ATOM 0 HB2 GLN A 171 3.493 10.997 5.542 1.00 0.86 H new ATOM 0 HB3 GLN A 171 3.985 12.274 6.637 1.00 0.86 H new ATOM 0 HG2 GLN A 171 4.204 9.325 7.316 1.00 0.71 H new ATOM 0 HG3 GLN A 171 5.489 10.235 6.547 1.00 0.71 H new ATOM 0 HE21 GLN A 171 3.738 9.619 9.513 1.00 1.41 H new ATOM 0 HE22 GLN A 171 4.821 10.526 10.575 1.00 1.41 H new ATOM 793 N ASN A 172 1.901 9.249 8.603 1.00 0.47 N ATOM 794 CA ASN A 172 1.538 7.860 8.857 1.00 0.49 C ATOM 795 C ASN A 172 0.039 7.740 9.049 1.00 0.42 C ATOM 796 O ASN A 172 -0.584 6.820 8.537 1.00 0.52 O ATOM 797 CB ASN A 172 2.269 7.304 10.087 1.00 0.65 C ATOM 798 CG ASN A 172 1.995 8.107 11.352 1.00 1.19 C ATOM 799 OD1 ASN A 172 1.789 9.321 11.302 1.00 1.88 O ATOM 800 ND2 ASN A 172 1.977 7.437 12.491 1.00 1.56 N ATOM 0 H ASN A 172 2.290 9.740 9.408 1.00 0.47 H new ATOM 0 HA ASN A 172 1.841 7.272 7.991 1.00 0.49 H new ATOM 0 HB2 ASN A 172 1.966 6.269 10.247 1.00 0.65 H new ATOM 0 HB3 ASN A 172 3.342 7.296 9.893 1.00 0.65 H new ATOM 0 HD21 ASN A 172 1.788 7.925 13.367 1.00 1.56 H new ATOM 0 HD22 ASN A 172 2.152 6.432 12.494 1.00 1.56 H new ATOM 807 N SER A 173 -0.532 8.690 9.772 1.00 0.41 N ATOM 808 CA SER A 173 -1.962 8.710 10.016 1.00 0.46 C ATOM 809 C SER A 173 -2.711 8.878 8.700 1.00 0.37 C ATOM 810 O SER A 173 -3.652 8.134 8.414 1.00 0.36 O ATOM 811 CB SER A 173 -2.301 9.842 10.992 1.00 0.60 C ATOM 812 OG SER A 173 -3.675 9.840 11.332 1.00 0.74 O ATOM 0 H SER A 173 -0.022 9.461 10.202 1.00 0.41 H new ATOM 0 HA SER A 173 -2.271 7.765 10.463 1.00 0.46 H new ATOM 0 HB2 SER A 173 -1.701 9.736 11.896 1.00 0.60 H new ATOM 0 HB3 SER A 173 -2.037 10.800 10.545 1.00 0.60 H new ATOM 0 HG SER A 173 -3.858 10.572 11.957 1.00 0.74 H new ATOM 818 N PHE A 174 -2.274 9.841 7.895 1.00 0.33 N ATOM 819 CA PHE A 174 -2.852 10.049 6.576 1.00 0.32 C ATOM 820 C PHE A 174 -2.685 8.810 5.712 1.00 0.24 C ATOM 821 O PHE A 174 -3.626 8.342 5.075 1.00 0.30 O ATOM 822 CB PHE A 174 -2.192 11.228 5.861 1.00 0.40 C ATOM 823 CG PHE A 174 -2.656 11.332 4.438 1.00 0.61 C ATOM 824 CD1 PHE A 174 -3.904 11.842 4.139 1.00 1.12 C ATOM 825 CD2 PHE A 174 -1.856 10.872 3.404 1.00 0.99 C ATOM 826 CE1 PHE A 174 -4.349 11.893 2.834 1.00 1.41 C ATOM 827 CE2 PHE A 174 -2.292 10.925 2.098 1.00 1.29 C ATOM 828 CZ PHE A 174 -3.542 11.435 1.813 1.00 1.33 C ATOM 0 H PHE A 174 -1.523 10.488 8.134 1.00 0.33 H new ATOM 0 HA PHE A 174 -3.911 10.260 6.722 1.00 0.32 H new ATOM 0 HB2 PHE A 174 -2.424 12.153 6.390 1.00 0.40 H new ATOM 0 HB3 PHE A 174 -1.109 11.110 5.885 1.00 0.40 H new ATOM 0 HD1 PHE A 174 -4.538 12.205 4.935 1.00 1.12 H new ATOM 0 HD2 PHE A 174 -0.879 10.467 3.625 1.00 0.99 H new ATOM 0 HE1 PHE A 174 -5.328 12.291 2.612 1.00 1.41 H new ATOM 0 HE2 PHE A 174 -1.657 10.569 1.300 1.00 1.29 H new ATOM 0 HZ PHE A 174 -3.889 11.476 0.791 1.00 1.33 H new ATOM 838 N VAL A 175 -1.476 8.292 5.694 1.00 0.20 N ATOM 839 CA VAL A 175 -1.119 7.238 4.772 1.00 0.20 C ATOM 840 C VAL A 175 -1.678 5.887 5.159 1.00 0.22 C ATOM 841 O VAL A 175 -2.365 5.270 4.361 1.00 0.25 O ATOM 842 CB VAL A 175 0.389 7.179 4.586 1.00 0.28 C ATOM 843 CG1 VAL A 175 0.852 5.775 4.281 1.00 0.33 C ATOM 844 CG2 VAL A 175 0.736 8.111 3.461 1.00 0.41 C ATOM 0 H VAL A 175 -0.720 8.587 6.312 1.00 0.20 H new ATOM 0 HA VAL A 175 -1.583 7.489 3.818 1.00 0.20 H new ATOM 0 HB VAL A 175 0.892 7.479 5.505 1.00 0.28 H new ATOM 0 HG11 VAL A 175 1.935 5.768 4.154 1.00 0.33 H new ATOM 0 HG12 VAL A 175 0.579 5.115 5.105 1.00 0.33 H new ATOM 0 HG13 VAL A 175 0.377 5.426 3.364 1.00 0.33 H new ATOM 0 HG21 VAL A 175 1.813 8.097 3.296 1.00 0.41 H new ATOM 0 HG22 VAL A 175 0.226 7.791 2.553 1.00 0.41 H new ATOM 0 HG23 VAL A 175 0.421 9.123 3.717 1.00 0.41 H new ATOM 854 N HIS A 176 -1.335 5.388 6.336 1.00 0.26 N ATOM 855 CA HIS A 176 -2.058 4.237 6.890 1.00 0.33 C ATOM 856 C HIS A 176 -3.587 4.348 6.646 1.00 0.30 C ATOM 857 O HIS A 176 -4.259 3.332 6.522 1.00 0.32 O ATOM 858 CB HIS A 176 -1.767 4.059 8.384 1.00 0.46 C ATOM 859 CG HIS A 176 -2.012 2.661 8.872 1.00 0.73 C ATOM 860 ND1 HIS A 176 -1.004 1.737 9.030 1.00 0.97 N ATOM 861 CD2 HIS A 176 -3.155 2.025 9.222 1.00 1.40 C ATOM 862 CE1 HIS A 176 -1.512 0.597 9.451 1.00 1.32 C ATOM 863 NE2 HIS A 176 -2.817 0.740 9.577 1.00 1.69 N ATOM 0 H HIS A 176 -0.580 5.746 6.920 1.00 0.26 H new ATOM 0 HA HIS A 176 -1.697 3.353 6.364 1.00 0.33 H new ATOM 0 HB2 HIS A 176 -0.729 4.329 8.580 1.00 0.46 H new ATOM 0 HB3 HIS A 176 -2.389 4.750 8.953 1.00 0.46 H new ATOM 0 HD1 HIS A 176 -0.015 1.909 8.849 1.00 0.97 H new ATOM 0 HD2 HIS A 176 -4.148 2.449 9.222 1.00 1.40 H new ATOM 0 HE1 HIS A 176 -0.953 -0.304 9.658 1.00 1.32 H new ATOM 872 N ASP A 177 -4.132 5.574 6.578 1.00 0.30 N ATOM 873 CA ASP A 177 -5.538 5.777 6.175 1.00 0.33 C ATOM 874 C ASP A 177 -5.737 5.518 4.684 1.00 0.28 C ATOM 875 O ASP A 177 -6.687 4.853 4.308 1.00 0.29 O ATOM 876 CB ASP A 177 -6.011 7.188 6.531 1.00 0.41 C ATOM 877 CG ASP A 177 -7.488 7.400 6.253 1.00 0.60 C ATOM 878 OD1 ASP A 177 -8.322 7.031 7.103 1.00 0.81 O ATOM 879 OD2 ASP A 177 -7.819 7.923 5.166 1.00 0.84 O ATOM 0 H ASP A 177 -3.628 6.434 6.794 1.00 0.30 H new ATOM 0 HA ASP A 177 -6.139 5.055 6.728 1.00 0.33 H new ATOM 0 HB2 ASP A 177 -5.814 7.377 7.586 1.00 0.41 H new ATOM 0 HB3 ASP A 177 -5.431 7.915 5.963 1.00 0.41 H new ATOM 884 N CYS A 178 -4.820 6.005 3.855 1.00 0.26 N ATOM 885 CA CYS A 178 -4.860 5.782 2.413 1.00 0.27 C ATOM 886 C CYS A 178 -4.817 4.284 2.133 1.00 0.24 C ATOM 887 O CYS A 178 -5.415 3.787 1.184 1.00 0.29 O ATOM 888 CB CYS A 178 -3.671 6.462 1.722 1.00 0.34 C ATOM 889 SG CYS A 178 -2.387 5.300 1.152 1.00 0.79 S ATOM 0 H CYS A 178 -4.026 6.567 4.164 1.00 0.26 H new ATOM 0 HA CYS A 178 -5.782 6.211 2.020 1.00 0.27 H new ATOM 0 HB2 CYS A 178 -4.037 7.032 0.868 1.00 0.34 H new ATOM 0 HB3 CYS A 178 -3.221 7.176 2.412 1.00 0.34 H new ATOM 894 N VAL A 179 -4.070 3.570 2.955 1.00 0.23 N ATOM 895 CA VAL A 179 -4.064 2.121 2.882 1.00 0.22 C ATOM 896 C VAL A 179 -5.331 1.527 3.496 1.00 0.22 C ATOM 897 O VAL A 179 -5.797 0.476 3.069 1.00 0.22 O ATOM 898 CB VAL A 179 -2.828 1.528 3.552 1.00 0.21 C ATOM 899 CG1 VAL A 179 -1.699 2.522 3.529 1.00 0.21 C ATOM 900 CG2 VAL A 179 -3.121 1.030 4.948 1.00 0.24 C ATOM 0 H VAL A 179 -3.465 3.965 3.675 1.00 0.23 H new ATOM 0 HA VAL A 179 -4.036 1.858 1.824 1.00 0.22 H new ATOM 0 HB VAL A 179 -2.520 0.652 2.981 1.00 0.21 H new ATOM 0 HG11 VAL A 179 -0.822 2.088 4.010 1.00 0.21 H new ATOM 0 HG12 VAL A 179 -1.458 2.776 2.497 1.00 0.21 H new ATOM 0 HG13 VAL A 179 -1.997 3.424 4.064 1.00 0.21 H new ATOM 0 HG21 VAL A 179 -2.212 0.617 5.385 1.00 0.24 H new ATOM 0 HG22 VAL A 179 -3.475 1.857 5.563 1.00 0.24 H new ATOM 0 HG23 VAL A 179 -3.887 0.256 4.905 1.00 0.24 H new ATOM 910 N ASN A 180 -5.904 2.215 4.479 1.00 0.25 N ATOM 911 CA ASN A 180 -7.212 1.832 5.016 1.00 0.27 C ATOM 912 C ASN A 180 -8.268 2.039 3.948 1.00 0.27 C ATOM 913 O ASN A 180 -9.456 1.812 4.165 1.00 0.30 O ATOM 914 CB ASN A 180 -7.567 2.630 6.273 1.00 0.31 C ATOM 915 CG ASN A 180 -6.848 2.118 7.506 1.00 0.77 C ATOM 916 OD1 ASN A 180 -6.520 0.935 7.604 1.00 1.41 O ATOM 917 ND2 ASN A 180 -6.607 3.000 8.461 1.00 1.30 N ATOM 0 H ASN A 180 -5.489 3.036 4.920 1.00 0.25 H new ATOM 0 HA ASN A 180 -7.171 0.781 5.302 1.00 0.27 H new ATOM 0 HB2 ASN A 180 -7.314 3.679 6.118 1.00 0.31 H new ATOM 0 HB3 ASN A 180 -8.643 2.583 6.438 1.00 0.31 H new ATOM 0 HD21 ASN A 180 -6.134 2.709 9.316 1.00 1.30 H new ATOM 0 HD22 ASN A 180 -6.894 3.971 8.342 1.00 1.30 H new ATOM 924 N ILE A 181 -7.815 2.577 2.832 1.00 0.25 N ATOM 925 CA ILE A 181 -8.561 2.579 1.596 1.00 0.29 C ATOM 926 C ILE A 181 -8.091 1.433 0.693 1.00 0.27 C ATOM 927 O ILE A 181 -8.894 0.674 0.180 1.00 0.36 O ATOM 928 CB ILE A 181 -8.362 3.898 0.838 1.00 0.35 C ATOM 929 CG1 ILE A 181 -8.002 5.030 1.774 1.00 0.49 C ATOM 930 CG2 ILE A 181 -9.620 4.279 0.137 1.00 0.40 C ATOM 931 CD1 ILE A 181 -9.146 5.472 2.666 1.00 1.14 C ATOM 0 H ILE A 181 -6.904 3.031 2.761 1.00 0.25 H new ATOM 0 HA ILE A 181 -9.615 2.457 1.847 1.00 0.29 H new ATOM 0 HB ILE A 181 -7.550 3.738 0.129 1.00 0.35 H new ATOM 0 HG12 ILE A 181 -7.165 4.720 2.399 1.00 0.49 H new ATOM 0 HG13 ILE A 181 -7.662 5.882 1.185 1.00 0.49 H new ATOM 0 HG21 ILE A 181 -9.469 5.216 -0.398 1.00 0.40 H new ATOM 0 HG22 ILE A 181 -9.893 3.497 -0.571 1.00 0.40 H new ATOM 0 HG23 ILE A 181 -10.420 4.403 0.867 1.00 0.40 H new ATOM 0 HD11 ILE A 181 -8.812 6.287 3.309 1.00 1.14 H new ATOM 0 HD12 ILE A 181 -9.977 5.814 2.049 1.00 1.14 H new ATOM 0 HD13 ILE A 181 -9.472 4.634 3.282 1.00 1.14 H new ATOM 943 N THR A 182 -6.773 1.288 0.581 1.00 0.20 N ATOM 944 CA THR A 182 -6.139 0.446 -0.437 1.00 0.20 C ATOM 945 C THR A 182 -6.284 -1.017 -0.155 1.00 0.24 C ATOM 946 O THR A 182 -6.842 -1.778 -0.952 1.00 0.26 O ATOM 947 CB THR A 182 -4.636 0.726 -0.554 1.00 0.20 C ATOM 948 OG1 THR A 182 -4.436 1.983 -1.149 1.00 0.22 O ATOM 949 CG2 THR A 182 -3.962 -0.330 -1.412 1.00 0.26 C ATOM 0 H THR A 182 -6.107 1.754 1.198 1.00 0.20 H new ATOM 0 HA THR A 182 -6.656 0.699 -1.363 1.00 0.20 H new ATOM 0 HB THR A 182 -4.204 0.708 0.447 1.00 0.20 H new ATOM 0 HG1 THR A 182 -4.994 2.058 -1.951 1.00 0.22 H new ATOM 0 HG21 THR A 182 -2.896 -0.115 -1.484 1.00 0.26 H new ATOM 0 HG22 THR A 182 -4.104 -1.311 -0.960 1.00 0.26 H new ATOM 0 HG23 THR A 182 -4.401 -0.323 -2.410 1.00 0.26 H new ATOM 957 N VAL A 183 -5.726 -1.401 0.970 1.00 0.28 N ATOM 958 CA VAL A 183 -5.656 -2.780 1.359 1.00 0.36 C ATOM 959 C VAL A 183 -7.059 -3.331 1.389 1.00 0.44 C ATOM 960 O VAL A 183 -7.291 -4.488 1.084 1.00 0.74 O ATOM 961 CB VAL A 183 -4.958 -2.913 2.729 1.00 0.34 C ATOM 962 CG1 VAL A 183 -3.957 -1.802 2.883 1.00 0.26 C ATOM 963 CG2 VAL A 183 -5.938 -2.898 3.892 1.00 0.40 C ATOM 0 H VAL A 183 -5.307 -0.757 1.641 1.00 0.28 H new ATOM 0 HA VAL A 183 -5.064 -3.352 0.644 1.00 0.36 H new ATOM 0 HB VAL A 183 -4.458 -3.881 2.753 1.00 0.34 H new ATOM 0 HG11 VAL A 183 -3.461 -1.891 3.849 1.00 0.26 H new ATOM 0 HG12 VAL A 183 -3.215 -1.867 2.087 1.00 0.26 H new ATOM 0 HG13 VAL A 183 -4.468 -0.841 2.825 1.00 0.26 H new ATOM 0 HG21 VAL A 183 -5.391 -2.995 4.830 1.00 0.40 H new ATOM 0 HG22 VAL A 183 -6.491 -1.959 3.890 1.00 0.40 H new ATOM 0 HG23 VAL A 183 -6.635 -3.730 3.791 1.00 0.40 H new ATOM 973 N LYS A 184 -7.991 -2.429 1.668 1.00 0.32 N ATOM 974 CA LYS A 184 -9.396 -2.744 1.693 1.00 0.34 C ATOM 975 C LYS A 184 -9.827 -3.334 0.370 1.00 0.35 C ATOM 976 O LYS A 184 -10.106 -4.521 0.253 1.00 0.37 O ATOM 977 CB LYS A 184 -10.185 -1.467 1.968 1.00 0.38 C ATOM 978 CG LYS A 184 -9.796 -0.829 3.277 1.00 0.43 C ATOM 979 CD LYS A 184 -9.557 -1.874 4.340 1.00 0.76 C ATOM 980 CE LYS A 184 -8.922 -1.281 5.591 1.00 0.60 C ATOM 981 NZ LYS A 184 -8.760 -2.292 6.671 1.00 1.00 N ATOM 0 H LYS A 184 -7.782 -1.454 1.883 1.00 0.32 H new ATOM 0 HA LYS A 184 -9.587 -3.476 2.477 1.00 0.34 H new ATOM 0 HB2 LYS A 184 -10.020 -0.758 1.157 1.00 0.38 H new ATOM 0 HB3 LYS A 184 -11.251 -1.696 1.980 1.00 0.38 H new ATOM 0 HG2 LYS A 184 -8.895 -0.232 3.140 1.00 0.43 H new ATOM 0 HG3 LYS A 184 -10.583 -0.149 3.602 1.00 0.43 H new ATOM 0 HD2 LYS A 184 -10.503 -2.346 4.603 1.00 0.76 H new ATOM 0 HD3 LYS A 184 -8.911 -2.656 3.941 1.00 0.76 H new ATOM 0 HE2 LYS A 184 -7.948 -0.862 5.339 1.00 0.60 H new ATOM 0 HE3 LYS A 184 -9.538 -0.459 5.955 1.00 0.60 H new ATOM 0 HZ1 LYS A 184 -8.324 -1.845 7.503 1.00 1.00 H new ATOM 0 HZ2 LYS A 184 -9.692 -2.674 6.931 1.00 1.00 H new ATOM 0 HZ3 LYS A 184 -8.151 -3.065 6.335 1.00 1.00 H new ATOM 995 N GLN A 185 -9.781 -2.495 -0.632 1.00 0.38 N ATOM 996 CA GLN A 185 -10.170 -2.835 -1.987 1.00 0.49 C ATOM 997 C GLN A 185 -9.580 -4.168 -2.412 1.00 0.51 C ATOM 998 O GLN A 185 -10.225 -4.977 -3.076 1.00 0.64 O ATOM 999 CB GLN A 185 -9.645 -1.727 -2.881 1.00 0.60 C ATOM 1000 CG GLN A 185 -9.779 -0.381 -2.212 1.00 0.78 C ATOM 1001 CD GLN A 185 -10.770 0.524 -2.898 1.00 1.38 C ATOM 1002 OE1 GLN A 185 -11.487 1.282 -2.253 1.00 1.83 O ATOM 1003 NE2 GLN A 185 -10.802 0.466 -4.213 1.00 2.13 N ATOM 0 H GLN A 185 -9.465 -1.530 -0.532 1.00 0.38 H new ATOM 0 HA GLN A 185 -11.254 -2.929 -2.058 1.00 0.49 H new ATOM 0 HB2 GLN A 185 -8.599 -1.915 -3.122 1.00 0.60 H new ATOM 0 HB3 GLN A 185 -10.193 -1.725 -3.823 1.00 0.60 H new ATOM 0 HG2 GLN A 185 -10.085 -0.526 -1.176 1.00 0.78 H new ATOM 0 HG3 GLN A 185 -8.804 0.107 -2.191 1.00 0.78 H new ATOM 0 HE21 GLN A 185 -10.188 -0.179 -4.710 1.00 2.13 H new ATOM 0 HE22 GLN A 185 -11.441 1.066 -4.735 1.00 2.13 H new ATOM 1012 N HIS A 186 -8.361 -4.395 -1.972 1.00 0.45 N ATOM 1013 CA HIS A 186 -7.555 -5.487 -2.454 1.00 0.54 C ATOM 1014 C HIS A 186 -7.582 -6.746 -1.577 1.00 0.69 C ATOM 1015 O HIS A 186 -6.965 -7.742 -1.932 1.00 1.31 O ATOM 1016 CB HIS A 186 -6.136 -4.995 -2.675 1.00 0.49 C ATOM 1017 CG HIS A 186 -5.877 -4.665 -4.111 1.00 0.53 C ATOM 1018 ND1 HIS A 186 -5.345 -5.564 -5.006 1.00 0.68 N ATOM 1019 CD2 HIS A 186 -6.104 -3.530 -4.814 1.00 0.54 C ATOM 1020 CE1 HIS A 186 -5.256 -4.999 -6.194 1.00 0.72 C ATOM 1021 NE2 HIS A 186 -5.709 -3.764 -6.107 1.00 0.66 N ATOM 0 H HIS A 186 -7.902 -3.821 -1.265 1.00 0.45 H new ATOM 0 HA HIS A 186 -7.998 -5.811 -3.396 1.00 0.54 H new ATOM 0 HB2 HIS A 186 -5.959 -4.111 -2.062 1.00 0.49 H new ATOM 0 HB3 HIS A 186 -5.432 -5.759 -2.345 1.00 0.49 H new ATOM 0 HD1 HIS A 186 -5.063 -6.519 -4.785 1.00 0.68 H new ATOM 0 HD2 HIS A 186 -6.519 -2.611 -4.428 1.00 0.54 H new ATOM 0 HE1 HIS A 186 -4.876 -5.469 -7.089 1.00 0.72 H new ATOM 1030 N THR A 187 -8.290 -6.719 -0.459 1.00 0.38 N ATOM 1031 CA THR A 187 -8.314 -7.868 0.445 1.00 0.45 C ATOM 1032 C THR A 187 -9.741 -8.205 0.887 1.00 0.54 C ATOM 1033 O THR A 187 -9.977 -9.202 1.566 1.00 0.83 O ATOM 1034 CB THR A 187 -7.406 -7.648 1.690 1.00 0.57 C ATOM 1035 OG1 THR A 187 -7.129 -8.897 2.333 1.00 1.63 O ATOM 1036 CG2 THR A 187 -8.039 -6.706 2.705 1.00 0.88 C ATOM 0 H THR A 187 -8.852 -5.924 -0.154 1.00 0.38 H new ATOM 0 HA THR A 187 -7.917 -8.713 -0.117 1.00 0.45 H new ATOM 0 HB THR A 187 -6.483 -7.195 1.328 1.00 0.57 H new ATOM 0 HG1 THR A 187 -7.935 -9.454 2.327 1.00 1.63 H new ATOM 0 HG21 THR A 187 -7.368 -6.584 3.556 1.00 0.88 H new ATOM 0 HG22 THR A 187 -8.216 -5.736 2.240 1.00 0.88 H new ATOM 0 HG23 THR A 187 -8.986 -7.123 3.047 1.00 0.88 H new ATOM 1044 N VAL A 188 -10.702 -7.402 0.456 1.00 0.41 N ATOM 1045 CA VAL A 188 -12.068 -7.546 0.948 1.00 0.46 C ATOM 1046 C VAL A 188 -12.987 -8.107 -0.128 1.00 0.45 C ATOM 1047 O VAL A 188 -14.166 -8.372 0.102 1.00 0.57 O ATOM 1048 CB VAL A 188 -12.620 -6.205 1.465 1.00 0.51 C ATOM 1049 CG1 VAL A 188 -11.597 -5.561 2.388 1.00 0.53 C ATOM 1050 CG2 VAL A 188 -12.982 -5.275 0.310 1.00 0.49 C ATOM 0 H VAL A 188 -10.567 -6.653 -0.224 1.00 0.41 H new ATOM 0 HA VAL A 188 -12.037 -8.251 1.779 1.00 0.46 H new ATOM 0 HB VAL A 188 -13.536 -6.392 2.025 1.00 0.51 H new ATOM 0 HG11 VAL A 188 -11.986 -4.611 2.755 1.00 0.53 H new ATOM 0 HG12 VAL A 188 -11.400 -6.223 3.231 1.00 0.53 H new ATOM 0 HG13 VAL A 188 -10.671 -5.387 1.840 1.00 0.53 H new ATOM 0 HG21 VAL A 188 -13.369 -4.336 0.706 1.00 0.49 H new ATOM 0 HG22 VAL A 188 -12.094 -5.077 -0.290 1.00 0.49 H new ATOM 0 HG23 VAL A 188 -13.742 -5.747 -0.312 1.00 0.49 H new ATOM 1060 N THR A 189 -12.421 -8.275 -1.302 1.00 0.38 N ATOM 1061 CA THR A 189 -13.110 -8.841 -2.448 1.00 0.41 C ATOM 1062 C THR A 189 -12.055 -9.330 -3.413 1.00 0.34 C ATOM 1063 O THR A 189 -12.134 -10.420 -3.980 1.00 0.35 O ATOM 1064 CB THR A 189 -14.007 -7.805 -3.158 1.00 0.50 C ATOM 1065 OG1 THR A 189 -15.086 -7.409 -2.301 1.00 0.64 O ATOM 1066 CG2 THR A 189 -14.552 -8.367 -4.465 1.00 0.51 C ATOM 0 H THR A 189 -11.453 -8.019 -1.494 1.00 0.38 H new ATOM 0 HA THR A 189 -13.758 -9.649 -2.109 1.00 0.41 H new ATOM 0 HB THR A 189 -13.400 -6.929 -3.387 1.00 0.50 H new ATOM 0 HG1 THR A 189 -14.959 -7.802 -1.412 1.00 0.64 H new ATOM 0 HG21 THR A 189 -15.181 -7.620 -4.948 1.00 0.51 H new ATOM 0 HG22 THR A 189 -13.723 -8.624 -5.124 1.00 0.51 H new ATOM 0 HG23 THR A 189 -15.142 -9.260 -4.259 1.00 0.51 H new ATOM 1074 N THR A 190 -11.045 -8.495 -3.551 1.00 0.32 N ATOM 1075 CA THR A 190 -9.876 -8.806 -4.330 1.00 0.34 C ATOM 1076 C THR A 190 -9.128 -10.008 -3.754 1.00 0.34 C ATOM 1077 O THR A 190 -8.436 -10.714 -4.478 1.00 0.42 O ATOM 1078 CB THR A 190 -8.969 -7.576 -4.387 1.00 0.39 C ATOM 1079 OG1 THR A 190 -9.649 -6.509 -5.063 1.00 0.54 O ATOM 1080 CG2 THR A 190 -7.663 -7.870 -5.094 1.00 0.55 C ATOM 0 H THR A 190 -11.018 -7.572 -3.118 1.00 0.32 H new ATOM 0 HA THR A 190 -10.186 -9.074 -5.340 1.00 0.34 H new ATOM 0 HB THR A 190 -8.736 -7.286 -3.362 1.00 0.39 H new ATOM 0 HG1 THR A 190 -10.111 -5.947 -4.406 1.00 0.54 H new ATOM 0 HG21 THR A 190 -7.049 -6.970 -5.112 1.00 0.55 H new ATOM 0 HG22 THR A 190 -7.132 -8.661 -4.564 1.00 0.55 H new ATOM 0 HG23 THR A 190 -7.867 -8.191 -6.115 1.00 0.55 H new ATOM 1088 N THR A 191 -9.276 -10.260 -2.457 1.00 0.34 N ATOM 1089 CA THR A 191 -8.674 -11.444 -1.877 1.00 0.47 C ATOM 1090 C THR A 191 -9.679 -12.585 -1.797 1.00 0.35 C ATOM 1091 O THR A 191 -9.366 -13.728 -2.118 1.00 0.34 O ATOM 1092 CB THR A 191 -8.090 -11.205 -0.484 1.00 0.83 C ATOM 1093 OG1 THR A 191 -7.092 -10.189 -0.555 1.00 1.66 O ATOM 1094 CG2 THR A 191 -7.468 -12.477 0.068 1.00 1.23 C ATOM 0 H THR A 191 -9.796 -9.673 -1.805 1.00 0.34 H new ATOM 0 HA THR A 191 -7.853 -11.709 -2.544 1.00 0.47 H new ATOM 0 HB THR A 191 -8.897 -10.893 0.179 1.00 0.83 H new ATOM 0 HG1 THR A 191 -6.293 -10.480 -0.068 1.00 1.66 H new ATOM 0 HG21 THR A 191 -7.059 -12.282 1.060 1.00 1.23 H new ATOM 0 HG22 THR A 191 -8.229 -13.254 0.136 1.00 1.23 H new ATOM 0 HG23 THR A 191 -6.669 -12.809 -0.595 1.00 1.23 H new ATOM 1102 N THR A 192 -10.906 -12.264 -1.408 1.00 0.46 N ATOM 1103 CA THR A 192 -11.933 -13.276 -1.194 1.00 0.60 C ATOM 1104 C THR A 192 -12.445 -13.864 -2.508 1.00 0.59 C ATOM 1105 O THR A 192 -13.563 -14.372 -2.581 1.00 0.73 O ATOM 1106 CB THR A 192 -13.112 -12.700 -0.396 1.00 0.76 C ATOM 1107 OG1 THR A 192 -13.534 -11.461 -0.976 1.00 0.69 O ATOM 1108 CG2 THR A 192 -12.721 -12.478 1.058 1.00 0.90 C ATOM 0 H THR A 192 -11.215 -11.308 -1.234 1.00 0.46 H new ATOM 0 HA THR A 192 -11.466 -14.078 -0.623 1.00 0.60 H new ATOM 0 HB THR A 192 -13.933 -13.416 -0.430 1.00 0.76 H new ATOM 0 HG1 THR A 192 -14.161 -11.639 -1.708 1.00 0.69 H new ATOM 0 HG21 THR A 192 -13.571 -12.070 1.605 1.00 0.90 H new ATOM 0 HG22 THR A 192 -12.425 -13.427 1.504 1.00 0.90 H new ATOM 0 HG23 THR A 192 -11.887 -11.778 1.108 1.00 0.90 H new ATOM 1116 N LYS A 193 -11.604 -13.830 -3.533 1.00 0.51 N ATOM 1117 CA LYS A 193 -11.939 -14.425 -4.810 1.00 0.58 C ATOM 1118 C LYS A 193 -11.443 -15.856 -4.858 1.00 0.69 C ATOM 1119 O LYS A 193 -11.389 -16.483 -5.916 1.00 0.82 O ATOM 1120 CB LYS A 193 -11.390 -13.597 -5.980 1.00 0.53 C ATOM 1121 CG LYS A 193 -10.014 -12.987 -5.746 1.00 0.45 C ATOM 1122 CD LYS A 193 -8.891 -14.010 -5.791 1.00 0.53 C ATOM 1123 CE LYS A 193 -7.549 -13.339 -5.564 1.00 0.57 C ATOM 1124 NZ LYS A 193 -6.410 -14.282 -5.702 1.00 1.12 N ATOM 0 H LYS A 193 -10.683 -13.394 -3.500 1.00 0.51 H new ATOM 0 HA LYS A 193 -13.024 -14.432 -4.914 1.00 0.58 H new ATOM 0 HB2 LYS A 193 -11.344 -14.232 -6.865 1.00 0.53 H new ATOM 0 HB3 LYS A 193 -12.094 -12.795 -6.200 1.00 0.53 H new ATOM 0 HG2 LYS A 193 -9.830 -12.221 -6.500 1.00 0.45 H new ATOM 0 HG3 LYS A 193 -10.004 -12.489 -4.777 1.00 0.45 H new ATOM 0 HD2 LYS A 193 -9.056 -14.773 -5.030 1.00 0.53 H new ATOM 0 HD3 LYS A 193 -8.892 -14.517 -6.756 1.00 0.53 H new ATOM 0 HE2 LYS A 193 -7.429 -12.523 -6.277 1.00 0.57 H new ATOM 0 HE3 LYS A 193 -7.532 -12.897 -4.568 1.00 0.57 H new ATOM 0 HZ1 LYS A 193 -5.716 -14.101 -4.948 1.00 1.12 H new ATOM 0 HZ2 LYS A 193 -6.757 -15.259 -5.626 1.00 1.12 H new ATOM 0 HZ3 LYS A 193 -5.957 -14.147 -6.629 1.00 1.12 H new ATOM 1138 N GLY A 194 -11.089 -16.357 -3.689 1.00 0.70 N ATOM 1139 CA GLY A 194 -10.630 -17.721 -3.564 1.00 0.81 C ATOM 1140 C GLY A 194 -9.235 -17.770 -3.004 1.00 0.75 C ATOM 1141 O GLY A 194 -8.552 -18.793 -3.068 1.00 0.86 O ATOM 0 H GLY A 194 -11.112 -15.836 -2.813 1.00 0.70 H new ATOM 0 HA2 GLY A 194 -11.306 -18.278 -2.915 1.00 0.81 H new ATOM 0 HA3 GLY A 194 -10.652 -18.207 -4.540 1.00 0.81 H new ATOM 1145 N GLU A 195 -8.816 -16.647 -2.453 1.00 0.63 N ATOM 1146 CA GLU A 195 -7.491 -16.509 -1.909 1.00 0.60 C ATOM 1147 C GLU A 195 -7.554 -16.551 -0.387 1.00 0.59 C ATOM 1148 O GLU A 195 -8.495 -16.039 0.219 1.00 0.63 O ATOM 1149 CB GLU A 195 -6.877 -15.200 -2.412 1.00 0.64 C ATOM 1150 CG GLU A 195 -5.446 -14.990 -2.001 1.00 0.72 C ATOM 1151 CD GLU A 195 -4.933 -13.671 -2.467 1.00 0.84 C ATOM 1152 OE1 GLU A 195 -4.821 -13.505 -3.701 1.00 1.29 O ATOM 1153 OE2 GLU A 195 -4.628 -12.812 -1.618 1.00 1.40 O ATOM 0 H GLU A 195 -9.390 -15.808 -2.373 1.00 0.63 H new ATOM 0 HA GLU A 195 -6.859 -17.334 -2.238 1.00 0.60 H new ATOM 0 HB2 GLU A 195 -6.937 -15.179 -3.500 1.00 0.64 H new ATOM 0 HB3 GLU A 195 -7.475 -14.367 -2.043 1.00 0.64 H new ATOM 0 HG2 GLU A 195 -5.365 -15.050 -0.916 1.00 0.72 H new ATOM 0 HG3 GLU A 195 -4.827 -15.788 -2.412 1.00 0.72 H new ATOM 1160 N ASN A 196 -6.554 -17.166 0.221 1.00 0.64 N ATOM 1161 CA ASN A 196 -6.523 -17.328 1.669 1.00 0.69 C ATOM 1162 C ASN A 196 -5.582 -16.332 2.282 1.00 0.63 C ATOM 1163 O ASN A 196 -4.361 -16.465 2.196 1.00 0.80 O ATOM 1164 CB ASN A 196 -6.080 -18.732 2.068 1.00 0.91 C ATOM 1165 CG ASN A 196 -7.121 -19.791 1.760 1.00 1.07 C ATOM 1166 OD1 ASN A 196 -7.175 -20.327 0.652 1.00 1.13 O ATOM 1167 ND2 ASN A 196 -7.947 -20.114 2.746 1.00 1.99 N ATOM 0 H ASN A 196 -5.750 -17.563 -0.265 1.00 0.64 H new ATOM 0 HA ASN A 196 -7.536 -17.163 2.035 1.00 0.69 H new ATOM 0 HB2 ASN A 196 -5.155 -18.977 1.546 1.00 0.91 H new ATOM 0 HB3 ASN A 196 -5.858 -18.748 3.135 1.00 0.91 H new ATOM 0 HD21 ASN A 196 -8.659 -20.830 2.601 1.00 1.99 H new ATOM 0 HD22 ASN A 196 -7.870 -19.647 3.649 1.00 1.99 H new ATOM 1174 N PHE A 197 -6.162 -15.328 2.889 1.00 0.54 N ATOM 1175 CA PHE A 197 -5.391 -14.328 3.568 1.00 0.53 C ATOM 1176 C PHE A 197 -5.546 -14.493 5.055 1.00 0.56 C ATOM 1177 O PHE A 197 -6.646 -14.698 5.567 1.00 0.68 O ATOM 1178 CB PHE A 197 -5.781 -12.924 3.118 1.00 0.52 C ATOM 1179 CG PHE A 197 -7.110 -12.425 3.602 1.00 1.12 C ATOM 1180 CD1 PHE A 197 -8.302 -13.030 3.229 1.00 1.63 C ATOM 1181 CD2 PHE A 197 -7.151 -11.329 4.432 1.00 1.49 C ATOM 1182 CE1 PHE A 197 -9.512 -12.544 3.689 1.00 2.36 C ATOM 1183 CE2 PHE A 197 -8.355 -10.834 4.898 1.00 2.19 C ATOM 1184 CZ PHE A 197 -9.539 -11.445 4.527 1.00 2.61 C ATOM 0 H PHE A 197 -7.171 -15.185 2.925 1.00 0.54 H new ATOM 0 HA PHE A 197 -4.340 -14.461 3.310 1.00 0.53 H new ATOM 0 HB2 PHE A 197 -5.010 -12.229 3.452 1.00 0.52 H new ATOM 0 HB3 PHE A 197 -5.781 -12.900 2.028 1.00 0.52 H new ATOM 0 HD1 PHE A 197 -8.284 -13.888 2.574 1.00 1.63 H new ATOM 0 HD2 PHE A 197 -6.229 -10.848 4.724 1.00 1.49 H new ATOM 0 HE1 PHE A 197 -10.434 -13.022 3.394 1.00 2.36 H new ATOM 0 HE2 PHE A 197 -8.371 -9.973 5.550 1.00 2.19 H new ATOM 0 HZ PHE A 197 -10.482 -11.065 4.891 1.00 2.61 H new ATOM 1194 N THR A 198 -4.431 -14.469 5.727 1.00 0.55 N ATOM 1195 CA THR A 198 -4.404 -14.548 7.151 1.00 0.60 C ATOM 1196 C THR A 198 -3.794 -13.267 7.686 1.00 0.52 C ATOM 1197 O THR A 198 -3.327 -12.446 6.908 1.00 0.43 O ATOM 1198 CB THR A 198 -3.653 -15.807 7.639 1.00 0.74 C ATOM 1199 OG1 THR A 198 -3.876 -16.013 9.041 1.00 1.12 O ATOM 1200 CG2 THR A 198 -2.159 -15.710 7.375 1.00 0.78 C ATOM 0 H THR A 198 -3.510 -14.393 5.295 1.00 0.55 H new ATOM 0 HA THR A 198 -5.419 -14.648 7.536 1.00 0.60 H new ATOM 0 HB THR A 198 -4.046 -16.654 7.077 1.00 0.74 H new ATOM 0 HG1 THR A 198 -3.395 -16.815 9.334 1.00 1.12 H new ATOM 0 HG21 THR A 198 -1.667 -16.614 7.733 1.00 0.78 H new ATOM 0 HG22 THR A 198 -1.985 -15.601 6.304 1.00 0.78 H new ATOM 0 HG23 THR A 198 -1.752 -14.845 7.898 1.00 0.78 H new ATOM 1208 N GLU A 199 -3.877 -13.066 8.988 1.00 0.59 N ATOM 1209 CA GLU A 199 -3.383 -11.845 9.640 1.00 0.63 C ATOM 1210 C GLU A 199 -1.968 -11.477 9.165 1.00 0.55 C ATOM 1211 O GLU A 199 -1.576 -10.304 9.163 1.00 0.53 O ATOM 1212 CB GLU A 199 -3.396 -12.010 11.161 1.00 0.82 C ATOM 1213 CG GLU A 199 -3.188 -10.702 11.907 1.00 1.14 C ATOM 1214 CD GLU A 199 -3.099 -10.884 13.406 1.00 2.11 C ATOM 1215 OE1 GLU A 199 -4.158 -11.066 14.046 1.00 2.55 O ATOM 1216 OE2 GLU A 199 -1.975 -10.860 13.948 1.00 2.91 O ATOM 0 H GLU A 199 -4.288 -13.740 9.634 1.00 0.59 H new ATOM 0 HA GLU A 199 -4.053 -11.032 9.359 1.00 0.63 H new ATOM 0 HB2 GLU A 199 -4.348 -12.447 11.465 1.00 0.82 H new ATOM 0 HB3 GLU A 199 -2.616 -12.714 11.450 1.00 0.82 H new ATOM 0 HG2 GLU A 199 -2.274 -10.228 11.549 1.00 1.14 H new ATOM 0 HG3 GLU A 199 -4.010 -10.024 11.677 1.00 1.14 H new ATOM 1223 N THR A 200 -1.216 -12.474 8.737 1.00 0.56 N ATOM 1224 CA THR A 200 0.114 -12.242 8.218 1.00 0.57 C ATOM 1225 C THR A 200 0.065 -11.631 6.813 1.00 0.44 C ATOM 1226 O THR A 200 0.919 -10.810 6.456 1.00 0.44 O ATOM 1227 CB THR A 200 0.921 -13.541 8.196 1.00 0.73 C ATOM 1228 OG1 THR A 200 0.654 -14.278 9.391 1.00 0.92 O ATOM 1229 CG2 THR A 200 2.397 -13.233 8.126 1.00 0.99 C ATOM 0 H THR A 200 -1.506 -13.452 8.740 1.00 0.56 H new ATOM 0 HA THR A 200 0.606 -11.532 8.883 1.00 0.57 H new ATOM 0 HB THR A 200 0.635 -14.126 7.322 1.00 0.73 H new ATOM 0 HG1 THR A 200 1.167 -15.113 9.382 1.00 0.92 H new ATOM 0 HG21 THR A 200 2.963 -14.165 8.111 1.00 0.99 H new ATOM 0 HG22 THR A 200 2.608 -12.666 7.219 1.00 0.99 H new ATOM 0 HG23 THR A 200 2.688 -12.646 8.997 1.00 0.99 H new ATOM 1237 N ASP A 201 -0.949 -12.011 6.029 1.00 0.41 N ATOM 1238 CA ASP A 201 -1.151 -11.437 4.698 1.00 0.36 C ATOM 1239 C ASP A 201 -1.523 -9.984 4.824 1.00 0.31 C ATOM 1240 O ASP A 201 -1.245 -9.157 3.955 1.00 0.34 O ATOM 1241 CB ASP A 201 -2.232 -12.165 3.894 1.00 0.45 C ATOM 1242 CG ASP A 201 -1.944 -13.643 3.718 1.00 0.92 C ATOM 1243 OD1 ASP A 201 -2.013 -14.387 4.711 1.00 1.27 O ATOM 1244 OD2 ASP A 201 -1.654 -14.069 2.589 1.00 1.49 O ATOM 0 H ASP A 201 -1.641 -12.712 6.294 1.00 0.41 H new ATOM 0 HA ASP A 201 -0.211 -11.550 4.158 1.00 0.36 H new ATOM 0 HB2 ASP A 201 -3.193 -12.045 4.395 1.00 0.45 H new ATOM 0 HB3 ASP A 201 -2.323 -11.699 2.913 1.00 0.45 H new ATOM 1249 N ILE A 202 -2.131 -9.691 5.942 1.00 0.30 N ATOM 1250 CA ILE A 202 -2.577 -8.361 6.256 1.00 0.32 C ATOM 1251 C ILE A 202 -1.402 -7.426 6.391 1.00 0.31 C ATOM 1252 O ILE A 202 -1.268 -6.467 5.643 1.00 0.34 O ATOM 1253 CB ILE A 202 -3.346 -8.386 7.564 1.00 0.41 C ATOM 1254 CG1 ILE A 202 -4.194 -9.641 7.576 1.00 0.48 C ATOM 1255 CG2 ILE A 202 -4.191 -7.142 7.726 1.00 0.54 C ATOM 1256 CD1 ILE A 202 -5.351 -9.618 6.607 1.00 0.53 C ATOM 0 H ILE A 202 -2.333 -10.378 6.669 1.00 0.30 H new ATOM 0 HA ILE A 202 -3.219 -8.007 5.449 1.00 0.32 H new ATOM 0 HB ILE A 202 -2.655 -8.398 8.407 1.00 0.41 H new ATOM 0 HG12 ILE A 202 -3.559 -10.497 7.346 1.00 0.48 H new ATOM 0 HG13 ILE A 202 -4.582 -9.794 8.583 1.00 0.48 H new ATOM 0 HG21 ILE A 202 -4.730 -7.189 8.672 1.00 0.54 H new ATOM 0 HG22 ILE A 202 -3.548 -6.262 7.718 1.00 0.54 H new ATOM 0 HG23 ILE A 202 -4.905 -7.077 6.905 1.00 0.54 H new ATOM 0 HD11 ILE A 202 -5.905 -10.554 6.680 1.00 0.53 H new ATOM 0 HD12 ILE A 202 -6.011 -8.785 6.848 1.00 0.53 H new ATOM 0 HD13 ILE A 202 -4.973 -9.499 5.592 1.00 0.53 H new ATOM 1268 N LYS A 203 -0.515 -7.759 7.313 1.00 0.32 N ATOM 1269 CA LYS A 203 0.597 -6.891 7.643 1.00 0.35 C ATOM 1270 C LYS A 203 1.446 -6.646 6.437 1.00 0.30 C ATOM 1271 O LYS A 203 1.641 -5.517 6.082 1.00 0.31 O ATOM 1272 CB LYS A 203 1.426 -7.473 8.778 1.00 0.44 C ATOM 1273 CG LYS A 203 1.421 -8.979 8.810 1.00 0.49 C ATOM 1274 CD LYS A 203 2.801 -9.550 9.050 1.00 0.61 C ATOM 1275 CE LYS A 203 3.663 -9.448 7.802 1.00 0.77 C ATOM 1276 NZ LYS A 203 4.923 -10.227 7.939 1.00 1.14 N ATOM 0 H LYS A 203 -0.546 -8.628 7.847 1.00 0.32 H new ATOM 0 HA LYS A 203 0.194 -5.936 7.980 1.00 0.35 H new ATOM 0 HB2 LYS A 203 2.454 -7.122 8.685 1.00 0.44 H new ATOM 0 HB3 LYS A 203 1.045 -7.095 9.727 1.00 0.44 H new ATOM 0 HG2 LYS A 203 0.746 -9.322 9.595 1.00 0.49 H new ATOM 0 HG3 LYS A 203 1.031 -9.359 7.866 1.00 0.49 H new ATOM 0 HD2 LYS A 203 3.280 -9.017 9.871 1.00 0.61 H new ATOM 0 HD3 LYS A 203 2.718 -10.594 9.353 1.00 0.61 H new ATOM 0 HE2 LYS A 203 3.102 -9.812 6.941 1.00 0.77 H new ATOM 0 HE3 LYS A 203 3.901 -8.402 7.608 1.00 0.77 H new ATOM 0 HZ1 LYS A 203 5.715 -9.677 7.550 1.00 1.14 H new ATOM 0 HZ2 LYS A 203 5.100 -10.427 8.944 1.00 1.14 H new ATOM 0 HZ3 LYS A 203 4.836 -11.123 7.418 1.00 1.14 H new ATOM 1290 N ILE A 204 1.902 -7.689 5.771 1.00 0.29 N ATOM 1291 CA ILE A 204 2.744 -7.499 4.597 1.00 0.28 C ATOM 1292 C ILE A 204 2.088 -6.584 3.599 1.00 0.24 C ATOM 1293 O ILE A 204 2.742 -5.781 2.966 1.00 0.27 O ATOM 1294 CB ILE A 204 3.013 -8.805 3.888 1.00 0.28 C ATOM 1295 CG1 ILE A 204 1.708 -9.559 3.850 1.00 0.26 C ATOM 1296 CG2 ILE A 204 4.105 -9.547 4.598 1.00 0.38 C ATOM 1297 CD1 ILE A 204 1.597 -10.680 2.857 1.00 0.28 C ATOM 0 H ILE A 204 1.711 -8.661 6.013 1.00 0.29 H new ATOM 0 HA ILE A 204 3.676 -7.067 4.962 1.00 0.28 H new ATOM 0 HB ILE A 204 3.364 -8.660 2.866 1.00 0.28 H new ATOM 0 HG12 ILE A 204 1.524 -9.967 4.844 1.00 0.26 H new ATOM 0 HG13 ILE A 204 0.910 -8.845 3.646 1.00 0.26 H new ATOM 0 HG21 ILE A 204 4.298 -10.489 4.085 1.00 0.38 H new ATOM 0 HG22 ILE A 204 5.013 -8.943 4.601 1.00 0.38 H new ATOM 0 HG23 ILE A 204 3.800 -9.749 5.625 1.00 0.38 H new ATOM 0 HD11 ILE A 204 0.611 -11.138 2.934 1.00 0.28 H new ATOM 0 HD12 ILE A 204 1.738 -10.289 1.849 1.00 0.28 H new ATOM 0 HD13 ILE A 204 2.361 -11.428 3.066 1.00 0.28 H new ATOM 1309 N MET A 205 0.798 -6.718 3.443 1.00 0.21 N ATOM 1310 CA MET A 205 0.106 -5.915 2.485 1.00 0.23 C ATOM 1311 C MET A 205 0.008 -4.483 2.947 1.00 0.22 C ATOM 1312 O MET A 205 0.520 -3.572 2.295 1.00 0.22 O ATOM 1313 CB MET A 205 -1.275 -6.468 2.245 1.00 0.29 C ATOM 1314 CG MET A 205 -2.281 -5.414 1.836 1.00 0.29 C ATOM 1315 SD MET A 205 -3.975 -5.963 2.102 1.00 0.41 S ATOM 1316 CE MET A 205 -3.743 -6.911 3.602 1.00 0.35 C ATOM 0 H MET A 205 0.214 -7.371 3.965 1.00 0.21 H new ATOM 0 HA MET A 205 0.672 -5.939 1.554 1.00 0.23 H new ATOM 0 HB2 MET A 205 -1.223 -7.231 1.468 1.00 0.29 H new ATOM 0 HB3 MET A 205 -1.624 -6.960 3.153 1.00 0.29 H new ATOM 0 HG2 MET A 205 -2.102 -4.501 2.404 1.00 0.29 H new ATOM 0 HG3 MET A 205 -2.140 -5.167 0.784 1.00 0.29 H new ATOM 0 HE1 MET A 205 -4.703 -7.045 4.100 1.00 0.35 H new ATOM 0 HE2 MET A 205 -3.323 -7.886 3.355 1.00 0.35 H new ATOM 0 HE3 MET A 205 -3.061 -6.380 4.266 1.00 0.35 H new ATOM 1326 N GLU A 206 -0.646 -4.300 4.083 1.00 0.23 N ATOM 1327 CA GLU A 206 -0.889 -2.984 4.610 1.00 0.25 C ATOM 1328 C GLU A 206 0.434 -2.308 4.872 1.00 0.24 C ATOM 1329 O GLU A 206 0.588 -1.141 4.600 1.00 0.26 O ATOM 1330 CB GLU A 206 -1.701 -3.055 5.894 1.00 0.29 C ATOM 1331 CG GLU A 206 -2.837 -4.070 5.853 1.00 0.37 C ATOM 1332 CD GLU A 206 -3.748 -3.949 7.059 1.00 0.57 C ATOM 1333 OE1 GLU A 206 -3.240 -3.928 8.204 1.00 1.25 O ATOM 1334 OE2 GLU A 206 -4.982 -3.886 6.870 1.00 1.00 O ATOM 0 H GLU A 206 -1.017 -5.058 4.655 1.00 0.23 H new ATOM 0 HA GLU A 206 -1.461 -2.410 3.882 1.00 0.25 H new ATOM 0 HB2 GLU A 206 -1.035 -3.304 6.720 1.00 0.29 H new ATOM 0 HB3 GLU A 206 -2.116 -2.069 6.105 1.00 0.29 H new ATOM 0 HG2 GLU A 206 -3.419 -3.927 4.943 1.00 0.37 H new ATOM 0 HG3 GLU A 206 -2.422 -5.077 5.811 1.00 0.37 H new ATOM 1341 N ARG A 207 1.393 -3.079 5.359 1.00 0.24 N ATOM 1342 CA ARG A 207 2.722 -2.573 5.649 1.00 0.25 C ATOM 1343 C ARG A 207 3.349 -1.982 4.398 1.00 0.26 C ATOM 1344 O ARG A 207 3.876 -0.878 4.434 1.00 0.35 O ATOM 1345 CB ARG A 207 3.623 -3.690 6.192 1.00 0.25 C ATOM 1346 CG ARG A 207 4.370 -4.439 5.097 1.00 0.25 C ATOM 1347 CD ARG A 207 5.361 -5.433 5.632 1.00 0.32 C ATOM 1348 NE ARG A 207 6.155 -4.903 6.740 1.00 0.47 N ATOM 1349 CZ ARG A 207 6.063 -5.346 7.995 1.00 0.69 C ATOM 1350 NH1 ARG A 207 5.154 -6.263 8.303 1.00 0.87 N ATOM 1351 NH2 ARG A 207 6.854 -4.853 8.942 1.00 0.89 N ATOM 0 H ARG A 207 1.271 -4.071 5.564 1.00 0.24 H new ATOM 0 HA ARG A 207 2.627 -1.795 6.407 1.00 0.25 H new ATOM 0 HB2 ARG A 207 4.344 -3.261 6.888 1.00 0.25 H new ATOM 0 HB3 ARG A 207 3.015 -4.396 6.758 1.00 0.25 H new ATOM 0 HG2 ARG A 207 3.650 -4.958 4.464 1.00 0.25 H new ATOM 0 HG3 ARG A 207 4.891 -3.720 4.464 1.00 0.25 H new ATOM 0 HD2 ARG A 207 4.830 -6.325 5.966 1.00 0.32 H new ATOM 0 HD3 ARG A 207 6.029 -5.742 4.828 1.00 0.32 H new ATOM 0 HE ARG A 207 6.816 -4.152 6.542 1.00 0.47 H new ATOM 0 HH11 ARG A 207 4.530 -6.625 7.582 1.00 0.87 H new ATOM 0 HH12 ARG A 207 5.079 -6.605 9.261 1.00 0.87 H new ATOM 0 HH21 ARG A 207 7.537 -4.131 8.711 1.00 0.89 H new ATOM 0 HH22 ARG A 207 6.778 -5.196 9.900 1.00 0.89 H new ATOM 1365 N VAL A 208 3.278 -2.708 3.280 1.00 0.23 N ATOM 1366 CA VAL A 208 3.944 -2.262 2.087 1.00 0.23 C ATOM 1367 C VAL A 208 3.192 -1.103 1.533 1.00 0.25 C ATOM 1368 O VAL A 208 3.754 -0.040 1.308 1.00 0.34 O ATOM 1369 CB VAL A 208 4.078 -3.346 0.983 1.00 0.22 C ATOM 1370 CG1 VAL A 208 4.869 -2.785 -0.174 1.00 0.28 C ATOM 1371 CG2 VAL A 208 4.755 -4.595 1.505 1.00 0.22 C ATOM 0 H VAL A 208 2.772 -3.589 3.190 1.00 0.23 H new ATOM 0 HA VAL A 208 4.960 -1.997 2.378 1.00 0.23 H new ATOM 0 HB VAL A 208 3.076 -3.623 0.655 1.00 0.22 H new ATOM 0 HG11 VAL A 208 4.965 -3.543 -0.951 1.00 0.28 H new ATOM 0 HG12 VAL A 208 4.354 -1.914 -0.579 1.00 0.28 H new ATOM 0 HG13 VAL A 208 5.860 -2.492 0.171 1.00 0.28 H new ATOM 0 HG21 VAL A 208 4.830 -5.330 0.704 1.00 0.22 H new ATOM 0 HG22 VAL A 208 5.754 -4.345 1.863 1.00 0.22 H new ATOM 0 HG23 VAL A 208 4.169 -5.011 2.325 1.00 0.22 H new ATOM 1381 N VAL A 209 1.904 -1.306 1.393 1.00 0.22 N ATOM 1382 CA VAL A 209 1.039 -0.323 0.816 1.00 0.25 C ATOM 1383 C VAL A 209 1.062 0.958 1.665 1.00 0.27 C ATOM 1384 O VAL A 209 0.989 2.064 1.151 1.00 0.32 O ATOM 1385 CB VAL A 209 -0.378 -0.913 0.650 1.00 0.31 C ATOM 1386 CG1 VAL A 209 -1.416 -0.166 1.447 1.00 1.11 C ATOM 1387 CG2 VAL A 209 -0.748 -0.968 -0.816 1.00 1.19 C ATOM 0 H VAL A 209 1.431 -2.163 1.679 1.00 0.22 H new ATOM 0 HA VAL A 209 1.389 -0.047 -0.179 1.00 0.25 H new ATOM 0 HB VAL A 209 -0.359 -1.927 1.051 1.00 0.31 H new ATOM 0 HG11 VAL A 209 -2.393 -0.624 1.292 1.00 1.11 H new ATOM 0 HG12 VAL A 209 -1.160 -0.206 2.506 1.00 1.11 H new ATOM 0 HG13 VAL A 209 -1.447 0.873 1.120 1.00 1.11 H new ATOM 0 HG21 VAL A 209 -1.749 -1.386 -0.923 1.00 1.19 H new ATOM 0 HG22 VAL A 209 -0.728 0.038 -1.234 1.00 1.19 H new ATOM 0 HG23 VAL A 209 -0.034 -1.596 -1.348 1.00 1.19 H new ATOM 1397 N GLU A 210 1.214 0.795 2.969 1.00 0.26 N ATOM 1398 CA GLU A 210 1.333 1.929 3.875 1.00 0.29 C ATOM 1399 C GLU A 210 2.685 2.614 3.755 1.00 0.29 C ATOM 1400 O GLU A 210 2.757 3.827 3.639 1.00 0.33 O ATOM 1401 CB GLU A 210 1.064 1.488 5.326 1.00 0.31 C ATOM 1402 CG GLU A 210 2.295 1.304 6.209 1.00 0.32 C ATOM 1403 CD GLU A 210 1.935 1.046 7.659 1.00 0.70 C ATOM 1404 OE1 GLU A 210 1.523 1.998 8.354 1.00 1.12 O ATOM 1405 OE2 GLU A 210 2.070 -0.114 8.113 1.00 1.19 O ATOM 0 H GLU A 210 1.258 -0.115 3.427 1.00 0.26 H new ATOM 0 HA GLU A 210 0.579 2.661 3.588 1.00 0.29 H new ATOM 0 HB2 GLU A 210 0.413 2.226 5.794 1.00 0.31 H new ATOM 0 HB3 GLU A 210 0.514 0.547 5.303 1.00 0.31 H new ATOM 0 HG2 GLU A 210 2.888 0.471 5.831 1.00 0.32 H new ATOM 0 HG3 GLU A 210 2.920 2.195 6.146 1.00 0.32 H new ATOM 1412 N GLN A 211 3.760 1.859 3.733 1.00 0.27 N ATOM 1413 CA GLN A 211 5.057 2.478 3.871 1.00 0.31 C ATOM 1414 C GLN A 211 5.471 3.134 2.558 1.00 0.31 C ATOM 1415 O GLN A 211 6.335 4.012 2.533 1.00 0.34 O ATOM 1416 CB GLN A 211 6.104 1.464 4.370 1.00 0.34 C ATOM 1417 CG GLN A 211 6.376 0.307 3.421 1.00 0.39 C ATOM 1418 CD GLN A 211 7.660 0.483 2.636 1.00 0.97 C ATOM 1419 OE1 GLN A 211 7.662 1.040 1.539 1.00 1.55 O ATOM 1420 NE2 GLN A 211 8.765 0.009 3.194 1.00 1.56 N ATOM 0 H GLN A 211 3.765 0.845 3.624 1.00 0.27 H new ATOM 0 HA GLN A 211 4.994 3.262 4.626 1.00 0.31 H new ATOM 0 HB2 GLN A 211 7.040 1.991 4.555 1.00 0.34 H new ATOM 0 HB3 GLN A 211 5.771 1.060 5.326 1.00 0.34 H new ATOM 0 HG2 GLN A 211 6.428 -0.620 3.991 1.00 0.39 H new ATOM 0 HG3 GLN A 211 5.541 0.208 2.727 1.00 0.39 H new ATOM 0 HE21 GLN A 211 8.721 -0.447 4.106 1.00 1.56 H new ATOM 0 HE22 GLN A 211 9.659 0.100 2.712 1.00 1.56 H new ATOM 1429 N MET A 212 4.826 2.732 1.470 1.00 0.30 N ATOM 1430 CA MET A 212 5.059 3.368 0.182 1.00 0.31 C ATOM 1431 C MET A 212 4.052 4.456 -0.082 1.00 0.30 C ATOM 1432 O MET A 212 4.322 5.362 -0.847 1.00 0.33 O ATOM 1433 CB MET A 212 5.060 2.368 -0.953 1.00 0.34 C ATOM 1434 CG MET A 212 3.853 1.470 -0.997 1.00 1.17 C ATOM 1435 SD MET A 212 2.311 2.279 -1.442 1.00 1.65 S ATOM 1436 CE MET A 212 2.757 2.922 -3.032 1.00 0.37 C ATOM 0 H MET A 212 4.143 1.975 1.454 1.00 0.30 H new ATOM 0 HA MET A 212 6.051 3.818 0.231 1.00 0.31 H new ATOM 0 HB2 MET A 212 5.129 2.909 -1.897 1.00 0.34 H new ATOM 0 HB3 MET A 212 5.954 1.750 -0.874 1.00 0.34 H new ATOM 0 HG2 MET A 212 4.043 0.668 -1.711 1.00 1.17 H new ATOM 0 HG3 MET A 212 3.731 1.004 -0.019 1.00 1.17 H new ATOM 0 HE1 MET A 212 2.325 3.915 -3.157 1.00 0.37 H new ATOM 0 HE2 MET A 212 3.843 2.987 -3.107 1.00 0.37 H new ATOM 0 HE3 MET A 212 2.378 2.261 -3.811 1.00 0.37 H new ATOM 1446 N CYS A 213 2.885 4.362 0.532 1.00 0.28 N ATOM 1447 CA CYS A 213 1.953 5.472 0.512 1.00 0.27 C ATOM 1448 C CYS A 213 2.600 6.605 1.277 1.00 0.25 C ATOM 1449 O CYS A 213 2.477 7.774 0.931 1.00 0.25 O ATOM 1450 CB CYS A 213 0.620 5.072 1.147 1.00 0.36 C ATOM 1451 SG CYS A 213 -0.667 6.366 1.107 1.00 0.42 S ATOM 0 H CYS A 213 2.565 3.540 1.044 1.00 0.28 H new ATOM 0 HA CYS A 213 1.735 5.777 -0.512 1.00 0.27 H new ATOM 0 HB2 CYS A 213 0.241 4.187 0.636 1.00 0.36 H new ATOM 0 HB3 CYS A 213 0.798 4.789 2.184 1.00 0.36 H new ATOM 1456 N ILE A 214 3.317 6.213 2.320 1.00 0.25 N ATOM 1457 CA ILE A 214 4.149 7.113 3.088 1.00 0.27 C ATOM 1458 C ILE A 214 5.258 7.697 2.212 1.00 0.27 C ATOM 1459 O ILE A 214 5.470 8.913 2.189 1.00 0.29 O ATOM 1460 CB ILE A 214 4.769 6.364 4.282 1.00 0.30 C ATOM 1461 CG1 ILE A 214 3.880 6.484 5.522 1.00 0.33 C ATOM 1462 CG2 ILE A 214 6.158 6.887 4.558 1.00 0.31 C ATOM 1463 CD1 ILE A 214 4.366 5.673 6.705 1.00 0.36 C ATOM 0 H ILE A 214 3.334 5.250 2.656 1.00 0.25 H new ATOM 0 HA ILE A 214 3.528 7.929 3.457 1.00 0.27 H new ATOM 0 HB ILE A 214 4.843 5.306 4.029 1.00 0.30 H new ATOM 0 HG12 ILE A 214 3.819 7.533 5.813 1.00 0.33 H new ATOM 0 HG13 ILE A 214 2.870 6.165 5.265 1.00 0.33 H new ATOM 0 HG21 ILE A 214 6.587 6.351 5.404 1.00 0.31 H new ATOM 0 HG22 ILE A 214 6.784 6.738 3.678 1.00 0.31 H new ATOM 0 HG23 ILE A 214 6.107 7.951 4.791 1.00 0.31 H new ATOM 0 HD11 ILE A 214 3.684 5.810 7.544 1.00 0.36 H new ATOM 0 HD12 ILE A 214 4.400 4.618 6.433 1.00 0.36 H new ATOM 0 HD13 ILE A 214 5.364 6.007 6.990 1.00 0.36 H new ATOM 1475 N THR A 215 5.963 6.820 1.507 1.00 0.28 N ATOM 1476 CA THR A 215 7.002 7.235 0.587 1.00 0.30 C ATOM 1477 C THR A 215 6.398 8.163 -0.451 1.00 0.30 C ATOM 1478 O THR A 215 6.926 9.241 -0.737 1.00 0.34 O ATOM 1479 CB THR A 215 7.648 6.017 -0.106 1.00 0.34 C ATOM 1480 OG1 THR A 215 8.169 5.109 0.880 1.00 0.37 O ATOM 1481 CG2 THR A 215 8.767 6.446 -1.046 1.00 0.39 C ATOM 0 H THR A 215 5.828 5.810 1.560 1.00 0.28 H new ATOM 0 HA THR A 215 7.782 7.755 1.144 1.00 0.30 H new ATOM 0 HB THR A 215 6.878 5.518 -0.694 1.00 0.34 H new ATOM 0 HG1 THR A 215 7.432 4.754 1.419 1.00 0.37 H new ATOM 0 HG21 THR A 215 9.202 5.566 -1.519 1.00 0.39 H new ATOM 0 HG22 THR A 215 8.364 7.108 -1.813 1.00 0.39 H new ATOM 0 HG23 THR A 215 9.536 6.971 -0.480 1.00 0.39 H new ATOM 1489 N GLN A 216 5.267 7.737 -0.990 1.00 0.30 N ATOM 1490 CA GLN A 216 4.501 8.550 -1.908 1.00 0.32 C ATOM 1491 C GLN A 216 3.991 9.841 -1.270 1.00 0.30 C ATOM 1492 O GLN A 216 3.730 10.792 -1.978 1.00 0.45 O ATOM 1493 CB GLN A 216 3.343 7.735 -2.482 1.00 0.44 C ATOM 1494 CG GLN A 216 3.439 7.501 -3.979 1.00 1.08 C ATOM 1495 CD GLN A 216 4.736 6.836 -4.400 1.00 1.76 C ATOM 1496 OE1 GLN A 216 5.338 6.068 -3.650 1.00 2.17 O ATOM 1497 NE2 GLN A 216 5.174 7.130 -5.611 1.00 2.60 N ATOM 0 H GLN A 216 4.859 6.821 -0.802 1.00 0.30 H new ATOM 0 HA GLN A 216 5.171 8.849 -2.715 1.00 0.32 H new ATOM 0 HB2 GLN A 216 3.304 6.771 -1.975 1.00 0.44 H new ATOM 0 HB3 GLN A 216 2.407 8.248 -2.264 1.00 0.44 H new ATOM 0 HG2 GLN A 216 2.601 6.881 -4.297 1.00 1.08 H new ATOM 0 HG3 GLN A 216 3.344 8.456 -4.496 1.00 1.08 H new ATOM 0 HE21 GLN A 216 4.646 7.772 -6.203 1.00 2.60 H new ATOM 0 HE22 GLN A 216 6.040 6.715 -5.955 1.00 2.60 H new ATOM 1506 N TYR A 217 3.855 9.890 0.051 1.00 0.27 N ATOM 1507 CA TYR A 217 3.464 11.135 0.716 1.00 0.29 C ATOM 1508 C TYR A 217 4.598 12.142 0.656 1.00 0.30 C ATOM 1509 O TYR A 217 4.364 13.335 0.507 1.00 0.31 O ATOM 1510 CB TYR A 217 3.052 10.906 2.177 1.00 0.37 C ATOM 1511 CG TYR A 217 2.619 12.184 2.870 1.00 0.56 C ATOM 1512 CD1 TYR A 217 1.300 12.611 2.812 1.00 1.06 C ATOM 1513 CD2 TYR A 217 3.533 12.975 3.557 1.00 0.80 C ATOM 1514 CE1 TYR A 217 0.904 13.792 3.409 1.00 1.26 C ATOM 1515 CE2 TYR A 217 3.144 14.154 4.164 1.00 0.95 C ATOM 1516 CZ TYR A 217 1.828 14.559 4.087 1.00 1.04 C ATOM 1517 OH TYR A 217 1.439 15.740 4.674 1.00 1.26 O ATOM 0 H TYR A 217 4.006 9.099 0.676 1.00 0.27 H new ATOM 0 HA TYR A 217 2.597 11.525 0.183 1.00 0.29 H new ATOM 0 HB2 TYR A 217 2.236 10.184 2.211 1.00 0.37 H new ATOM 0 HB3 TYR A 217 3.888 10.467 2.722 1.00 0.37 H new ATOM 0 HD1 TYR A 217 0.570 12.009 2.291 1.00 1.06 H new ATOM 0 HD2 TYR A 217 4.565 12.663 3.617 1.00 0.80 H new ATOM 0 HE1 TYR A 217 -0.125 14.113 3.345 1.00 1.26 H new ATOM 0 HE2 TYR A 217 3.867 14.755 4.696 1.00 0.95 H new ATOM 0 HH TYR A 217 1.953 15.881 5.497 1.00 1.26 H new ATOM 1527 N GLN A 218 5.827 11.664 0.763 1.00 0.33 N ATOM 1528 CA GLN A 218 6.983 12.553 0.693 1.00 0.42 C ATOM 1529 C GLN A 218 7.127 13.024 -0.730 1.00 0.46 C ATOM 1530 O GLN A 218 7.294 14.213 -1.010 1.00 0.58 O ATOM 1531 CB GLN A 218 8.276 11.841 1.082 1.00 0.47 C ATOM 1532 CG GLN A 218 8.148 10.878 2.239 1.00 0.63 C ATOM 1533 CD GLN A 218 7.782 11.558 3.544 1.00 1.23 C ATOM 1534 OE1 GLN A 218 8.648 12.013 4.286 1.00 1.83 O ATOM 1535 NE2 GLN A 218 6.495 11.616 3.841 1.00 1.97 N ATOM 0 H GLN A 218 6.052 10.678 0.897 1.00 0.33 H new ATOM 0 HA GLN A 218 6.820 13.377 1.387 1.00 0.42 H new ATOM 0 HB2 GLN A 218 8.649 11.297 0.215 1.00 0.47 H new ATOM 0 HB3 GLN A 218 9.025 12.591 1.334 1.00 0.47 H new ATOM 0 HG2 GLN A 218 7.390 10.132 2.000 1.00 0.63 H new ATOM 0 HG3 GLN A 218 9.090 10.345 2.366 1.00 0.63 H new ATOM 0 HE21 GLN A 218 5.805 11.227 3.198 1.00 1.97 H new ATOM 0 HE22 GLN A 218 6.192 12.050 4.713 1.00 1.97 H new ATOM 1544 N GLN A 219 7.048 12.053 -1.616 1.00 0.42 N ATOM 1545 CA GLN A 219 7.144 12.281 -3.033 1.00 0.53 C ATOM 1546 C GLN A 219 6.002 13.184 -3.508 1.00 0.51 C ATOM 1547 O GLN A 219 6.208 14.072 -4.328 1.00 0.58 O ATOM 1548 CB GLN A 219 7.146 10.925 -3.735 1.00 0.60 C ATOM 1549 CG GLN A 219 7.044 10.978 -5.250 1.00 0.78 C ATOM 1550 CD GLN A 219 7.577 9.710 -5.891 1.00 0.98 C ATOM 1551 OE1 GLN A 219 7.562 8.641 -5.283 1.00 1.58 O ATOM 1552 NE2 GLN A 219 8.054 9.814 -7.120 1.00 1.70 N ATOM 0 H GLN A 219 6.914 11.074 -1.364 1.00 0.42 H new ATOM 0 HA GLN A 219 8.069 12.802 -3.278 1.00 0.53 H new ATOM 0 HB2 GLN A 219 8.061 10.397 -3.467 1.00 0.60 H new ATOM 0 HB3 GLN A 219 6.314 10.335 -3.352 1.00 0.60 H new ATOM 0 HG2 GLN A 219 6.003 11.123 -5.540 1.00 0.78 H new ATOM 0 HG3 GLN A 219 7.602 11.837 -5.623 1.00 0.78 H new ATOM 0 HE21 GLN A 219 8.050 10.717 -7.594 1.00 1.70 H new ATOM 0 HE22 GLN A 219 8.425 8.991 -7.594 1.00 1.70 H new ATOM 1561 N GLU A 220 4.811 12.968 -2.957 1.00 0.45 N ATOM 1562 CA GLU A 220 3.657 13.828 -3.220 1.00 0.46 C ATOM 1563 C GLU A 220 3.854 15.211 -2.617 1.00 0.46 C ATOM 1564 O GLU A 220 3.516 16.220 -3.232 1.00 0.49 O ATOM 1565 CB GLU A 220 2.383 13.211 -2.641 1.00 0.45 C ATOM 1566 CG GLU A 220 1.460 12.616 -3.688 1.00 0.75 C ATOM 1567 CD GLU A 220 0.998 13.646 -4.693 1.00 1.21 C ATOM 1568 OE1 GLU A 220 0.231 14.558 -4.318 1.00 1.62 O ATOM 1569 OE2 GLU A 220 1.396 13.544 -5.867 1.00 1.74 O ATOM 0 H GLU A 220 4.617 12.197 -2.319 1.00 0.45 H new ATOM 0 HA GLU A 220 3.560 13.921 -4.302 1.00 0.46 H new ATOM 0 HB2 GLU A 220 2.658 12.433 -1.929 1.00 0.45 H new ATOM 0 HB3 GLU A 220 1.841 13.975 -2.084 1.00 0.45 H new ATOM 0 HG2 GLU A 220 1.976 11.809 -4.208 1.00 0.75 H new ATOM 0 HG3 GLU A 220 0.592 12.175 -3.197 1.00 0.75 H new ATOM 1576 N SER A 221 4.393 15.244 -1.405 1.00 0.46 N ATOM 1577 CA SER A 221 4.691 16.490 -0.718 1.00 0.51 C ATOM 1578 C SER A 221 5.574 17.380 -1.592 1.00 0.56 C ATOM 1579 O SER A 221 5.384 18.595 -1.668 1.00 0.63 O ATOM 1580 CB SER A 221 5.394 16.181 0.610 1.00 0.52 C ATOM 1581 OG SER A 221 5.737 17.360 1.321 1.00 0.74 O ATOM 0 H SER A 221 4.635 14.408 -0.873 1.00 0.46 H new ATOM 0 HA SER A 221 3.761 17.023 -0.518 1.00 0.51 H new ATOM 0 HB2 SER A 221 4.744 15.562 1.228 1.00 0.52 H new ATOM 0 HB3 SER A 221 6.296 15.601 0.415 1.00 0.52 H new ATOM 0 HG SER A 221 4.929 17.890 1.485 1.00 0.74 H new ATOM 1587 N GLN A 222 6.527 16.758 -2.267 1.00 0.57 N ATOM 1588 CA GLN A 222 7.439 17.476 -3.138 1.00 0.68 C ATOM 1589 C GLN A 222 6.862 17.597 -4.550 1.00 0.69 C ATOM 1590 O GLN A 222 7.220 18.503 -5.302 1.00 0.79 O ATOM 1591 CB GLN A 222 8.800 16.779 -3.140 1.00 0.77 C ATOM 1592 CG GLN A 222 9.364 16.513 -4.520 1.00 1.19 C ATOM 1593 CD GLN A 222 10.848 16.215 -4.493 1.00 1.31 C ATOM 1594 OE1 GLN A 222 11.372 15.706 -3.502 1.00 1.81 O ATOM 1595 NE2 GLN A 222 11.535 16.523 -5.580 1.00 1.52 N ATOM 0 H GLN A 222 6.688 15.752 -2.227 1.00 0.57 H new ATOM 0 HA GLN A 222 7.573 18.490 -2.761 1.00 0.68 H new ATOM 0 HB2 GLN A 222 9.509 17.391 -2.583 1.00 0.77 H new ATOM 0 HB3 GLN A 222 8.710 15.832 -2.609 1.00 0.77 H new ATOM 0 HG2 GLN A 222 8.836 15.672 -4.969 1.00 1.19 H new ATOM 0 HG3 GLN A 222 9.182 17.379 -5.156 1.00 1.19 H new ATOM 0 HE21 GLN A 222 11.062 16.944 -6.380 1.00 1.52 H new ATOM 0 HE22 GLN A 222 12.538 16.340 -5.619 1.00 1.52 H new ATOM 1604 N ALA A 223 5.964 16.694 -4.909 1.00 0.64 N ATOM 1605 CA ALA A 223 5.250 16.807 -6.172 1.00 0.71 C ATOM 1606 C ALA A 223 4.316 18.001 -6.129 1.00 0.71 C ATOM 1607 O ALA A 223 4.074 18.650 -7.142 1.00 0.82 O ATOM 1608 CB ALA A 223 4.481 15.542 -6.494 1.00 0.72 C ATOM 0 H ALA A 223 5.713 15.880 -4.349 1.00 0.64 H new ATOM 0 HA ALA A 223 5.984 16.952 -6.965 1.00 0.71 H new ATOM 0 HB1 ALA A 223 3.961 15.664 -7.444 1.00 0.72 H new ATOM 0 HB2 ALA A 223 5.174 14.703 -6.565 1.00 0.72 H new ATOM 0 HB3 ALA A 223 3.755 15.347 -5.705 1.00 0.72 H new ATOM 1614 N ALA A 224 3.807 18.292 -4.938 1.00 0.65 N ATOM 1615 CA ALA A 224 3.035 19.503 -4.707 1.00 0.72 C ATOM 1616 C ALA A 224 3.931 20.722 -4.847 1.00 0.82 C ATOM 1617 O ALA A 224 3.457 21.838 -5.050 1.00 0.93 O ATOM 1618 CB ALA A 224 2.395 19.471 -3.330 1.00 0.75 C ATOM 0 H ALA A 224 3.917 17.701 -4.114 1.00 0.65 H new ATOM 0 HA ALA A 224 2.241 19.561 -5.452 1.00 0.72 H new ATOM 0 HB1 ALA A 224 1.821 20.385 -3.174 1.00 0.75 H new ATOM 0 HB2 ALA A 224 1.732 18.609 -3.257 1.00 0.75 H new ATOM 0 HB3 ALA A 224 3.172 19.396 -2.569 1.00 0.75 H new ATOM 1624 N TYR A 225 5.232 20.489 -4.755 1.00 0.88 N ATOM 1625 CA TYR A 225 6.208 21.550 -4.875 1.00 1.02 C ATOM 1626 C TYR A 225 6.620 21.738 -6.330 1.00 1.13 C ATOM 1627 O TYR A 225 6.877 22.857 -6.770 1.00 1.30 O ATOM 1628 CB TYR A 225 7.432 21.260 -4.011 1.00 1.02 C ATOM 1629 CG TYR A 225 8.120 22.510 -3.532 1.00 1.29 C ATOM 1630 CD1 TYR A 225 7.455 23.450 -2.760 1.00 1.62 C ATOM 1631 CD2 TYR A 225 9.445 22.745 -3.863 1.00 2.15 C ATOM 1632 CE1 TYR A 225 8.094 24.594 -2.328 1.00 2.22 C ATOM 1633 CE2 TYR A 225 10.092 23.885 -3.437 1.00 2.88 C ATOM 1634 CZ TYR A 225 9.365 24.818 -2.629 1.00 2.75 C ATOM 1635 OH TYR A 225 10.055 25.946 -2.243 1.00 3.57 O ATOM 0 H TYR A 225 5.634 19.565 -4.596 1.00 0.88 H new ATOM 0 HA TYR A 225 5.749 22.473 -4.522 1.00 1.02 H new ATOM 0 HB2 TYR A 225 7.130 20.665 -3.149 1.00 1.02 H new ATOM 0 HB3 TYR A 225 8.139 20.658 -4.582 1.00 1.02 H new ATOM 0 HD1 TYR A 225 6.422 23.284 -2.493 1.00 1.62 H new ATOM 0 HD2 TYR A 225 9.979 22.024 -4.464 1.00 2.15 H new ATOM 0 HE1 TYR A 225 7.551 25.317 -1.737 1.00 2.22 H new ATOM 0 HE2 TYR A 225 11.122 24.070 -3.706 1.00 2.88 H new ATOM 0 HH TYR A 225 10.976 25.896 -2.575 1.00 3.57 H new ATOM 1645 N GLN A 226 6.674 20.642 -7.083 1.00 1.09 N ATOM 1646 CA GLN A 226 7.014 20.725 -8.497 1.00 1.27 C ATOM 1647 C GLN A 226 5.853 21.323 -9.285 1.00 1.36 C ATOM 1648 O GLN A 226 6.055 22.014 -10.284 1.00 1.55 O ATOM 1649 CB GLN A 226 7.442 19.357 -9.062 1.00 1.32 C ATOM 1650 CG GLN A 226 6.354 18.296 -9.107 1.00 1.60 C ATOM 1651 CD GLN A 226 5.484 18.379 -10.346 1.00 2.19 C ATOM 1652 OE1 GLN A 226 5.929 18.812 -11.409 1.00 2.87 O ATOM 1653 NE2 GLN A 226 4.237 17.963 -10.218 1.00 2.60 N ATOM 0 H GLN A 226 6.489 19.699 -6.742 1.00 1.09 H new ATOM 0 HA GLN A 226 7.873 21.388 -8.602 1.00 1.27 H new ATOM 0 HB2 GLN A 226 7.823 19.504 -10.073 1.00 1.32 H new ATOM 0 HB3 GLN A 226 8.269 18.979 -8.461 1.00 1.32 H new ATOM 0 HG2 GLN A 226 6.816 17.310 -9.062 1.00 1.60 H new ATOM 0 HG3 GLN A 226 5.724 18.394 -8.223 1.00 1.60 H new ATOM 0 HE21 GLN A 226 3.907 17.611 -9.320 1.00 2.60 H new ATOM 0 HE22 GLN A 226 3.604 17.994 -11.018 1.00 2.60 H new ATOM 1662 N ARG A 227 4.635 21.079 -8.814 1.00 1.25 N ATOM 1663 CA ARG A 227 3.454 21.662 -9.438 1.00 1.35 C ATOM 1664 C ARG A 227 3.210 23.068 -8.904 1.00 1.38 C ATOM 1665 O ARG A 227 2.308 23.762 -9.363 1.00 1.46 O ATOM 1666 CB ARG A 227 2.210 20.796 -9.213 1.00 1.32 C ATOM 1667 CG ARG A 227 1.870 20.565 -7.750 1.00 1.00 C ATOM 1668 CD ARG A 227 0.458 20.026 -7.578 1.00 1.08 C ATOM 1669 NE ARG A 227 0.231 18.819 -8.371 1.00 1.97 N ATOM 1670 CZ ARG A 227 -0.960 18.456 -8.838 1.00 2.50 C ATOM 1671 NH1 ARG A 227 -2.032 19.189 -8.564 1.00 2.39 N ATOM 1672 NH2 ARG A 227 -1.073 17.360 -9.582 1.00 3.59 N ATOM 0 H ARG A 227 4.441 20.485 -8.008 1.00 1.25 H new ATOM 0 HA ARG A 227 3.641 21.711 -10.511 1.00 1.35 H new ATOM 0 HB2 ARG A 227 1.358 21.269 -9.702 1.00 1.32 H new ATOM 0 HB3 ARG A 227 2.360 19.831 -9.697 1.00 1.32 H new ATOM 0 HG2 ARG A 227 2.583 19.863 -7.317 1.00 1.00 H new ATOM 0 HG3 ARG A 227 1.971 21.501 -7.201 1.00 1.00 H new ATOM 0 HD2 ARG A 227 0.280 19.807 -6.525 1.00 1.08 H new ATOM 0 HD3 ARG A 227 -0.260 20.792 -7.870 1.00 1.08 H new ATOM 0 HE ARG A 227 1.031 18.222 -8.578 1.00 1.97 H new ATOM 0 HH11 ARG A 227 -1.942 20.031 -7.995 1.00 2.39 H new ATOM 0 HH12 ARG A 227 -2.945 18.910 -8.922 1.00 2.39 H new ATOM 0 HH21 ARG A 227 -0.247 16.800 -9.793 1.00 3.59 H new ATOM 0 HH22 ARG A 227 -1.985 17.079 -9.941 1.00 3.59 H new ATOM 1686 N ALA A 228 4.015 23.477 -7.935 1.00 1.34 N ATOM 1687 CA ALA A 228 3.894 24.804 -7.358 1.00 1.43 C ATOM 1688 C ALA A 228 4.702 25.805 -8.175 1.00 1.64 C ATOM 1689 CB ALA A 228 4.348 24.794 -5.904 1.00 1.40 C ATOM 0 H ALA A 228 4.759 22.907 -7.533 1.00 1.34 H new ATOM 0 HA ALA A 228 2.847 25.107 -7.382 1.00 1.43 H new ATOM 0 HB1 ALA A 228 4.251 25.796 -5.486 1.00 1.40 H new ATOM 0 HB2 ALA A 228 3.728 24.101 -5.334 1.00 1.40 H new ATOM 0 HB3 ALA A 228 5.390 24.477 -5.850 1.00 1.40 H new