USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 821 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 222 GLN : amide:sc= 1.02 K(o=1.1,f=-0.81) USER MOD Set 1.2: A 226 GLN : amide:sc= 0.0367 K(o=1.1,f=-0.81) USER MOD Set 2.1: A 156 TYR OH : rot -8:sc= -2.45! USER MOD Set 2.2: A 187 THR OG1 : rot -71:sc= -0.615 USER MOD Set 2.3: A 191 THR OG1 : rot 129:sc= -1.33 USER MOD Set 3.1: A 168 TYR OH : rot -24:sc= 0.529 USER MOD Set 3.2: A 173 SER OG : rot 180:sc= 0.464 USER MOD Set 4.1: A 144 TYR OH : rot -115:sc= 1.74 USER MOD Set 4.2: A 148 TYR OH : rot 180:sc= 0.303 USER MOD Set 5.1: A 133 MET CE :methyl -113:sc= -3.04 (180deg=-10.7!) USER MOD Set 5.2: A 212 MET CE :methyl -123:sc= -7.8! (180deg=-7.74!) USER MOD Set 6.1: A 131 SER OG : rot -125:sc= 0.234 USER MOD Set 6.2: A 219 GLN : amide:sc= 0.0902 X(o=0.32,f=0.56) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 128 MET CE :methyl -167:sc= -5.2! (180deg=-5.46!) USER MOD Single : A 134 SER OG : rot 180:sc= 0.0121 USER MOD Single : A 139 HIS :FLIP no HD1:sc= -0.19 F(o=-4.2!,f=-0.19) USER MOD Single : A 142 ASN :FLIP amide:sc= -1.46 F(o=-2.8,f=-1.5) USER MOD Single : A 149 TYR OH : rot -140:sc= 0.0348 USER MOD Single : A 152 ASN : amide:sc= -7.23! C(o=-7.2!,f=-7!) USER MOD Single : A 153 MET CE :methyl 159:sc= -6.6! (180deg=-8.61!) USER MOD Single : A 154 TYR OH : rot 180:sc= 0 USER MOD Single : A 158 ASN : amide:sc= -9.93! C(o=-9.9!,f=-10!) USER MOD Single : A 159 GLN : amide:sc= -0.676 X(o=-0.68,f=-0.97) USER MOD Single : A 161 TYR OH : rot 180:sc= 0 USER MOD Single : A 162 TYR OH : rot 106:sc= -0.723! USER MOD Single : A 167 GLN :FLIP amide:sc= -1.38 F(o=-4.2!,f=-1.4) USER MOD Single : A 169 SER OG : rot 180:sc= 0 USER MOD Single : A 170 ASN : amide:sc= 0 X(o=0,f=0.0031) USER MOD Single : A 171 GLN :FLIP amide:sc= 0.585 F(o=-2.9!,f=0.59) USER MOD Single : A 172 ASN : amide:sc= -1.1 K(o=-1.1,f=-6.5!) USER MOD Single : A 176 HIS : no HE2:sc= 1.16 K(o=1.2,f=-5.2!) USER MOD Single : A 180 ASN : amide:sc= -0.169 K(o=-0.17,f=-1.7!) USER MOD Single : A 182 THR OG1 : rot 101:sc= -4.11! USER MOD Single : A 184 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 185 GLN :FLIP amide:sc= -0.913 F(o=-2.2!,f=-0.91) USER MOD Single : A 186 HIS : no HE2:sc= -2.99! C(o=-3!,f=-11!) USER MOD Single : A 189 THR OG1 : rot -3:sc= 1.08 USER MOD Single : A 190 THR OG1 : rot 90:sc= 1.28 USER MOD Single : A 192 THR OG1 : rot -157:sc= -1.3 USER MOD Single : A 193 LYS NZ :NH3+ -164:sc= -0.0244 (180deg=-0.205) 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 USER MOD Single : A 200 THR OG1 : rot 180:sc= 0 USER MOD Single : A 203 LYS NZ :NH3+ 156:sc= 1.26 (180deg=1.09) USER MOD Single : A 205 MET CE :methyl -112:sc= -6.55! (180deg=-11.5!) USER MOD Single : A 211 GLN : amide:sc= 0 X(o=0,f=-0.03) USER MOD Single : A 215 THR OG1 : rot 49:sc= 0.779 USER MOD Single : A 216 GLN : amide:sc= -3.12! C(o=-3.1!,f=-5.1!) USER MOD Single : A 217 TYR OH : rot -128:sc= 1.21 USER MOD Single : A 218 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 221 SER OG : rot 7:sc= 1.28 USER MOD Single : A 225 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 124 -13.831 5.929 -3.216 1.00 1.95 N ATOM 2 CA LEU A 124 -12.551 5.917 -3.923 1.00 1.36 C ATOM 3 C LEU A 124 -12.725 6.231 -5.406 1.00 1.43 C ATOM 4 O LEU A 124 -11.751 6.209 -6.160 1.00 2.13 O ATOM 5 CB LEU A 124 -11.864 4.549 -3.797 1.00 1.23 C ATOM 6 CG LEU A 124 -11.585 4.033 -2.381 1.00 1.15 C ATOM 7 CD1 LEU A 124 -12.865 3.597 -1.674 1.00 1.32 C ATOM 8 CD2 LEU A 124 -10.601 2.879 -2.448 1.00 1.75 C ATOM 0 HA LEU A 124 -11.934 6.687 -3.460 1.00 1.36 H new ATOM 0 HB2 LEU A 124 -12.482 3.812 -4.309 1.00 1.23 H new ATOM 0 HB3 LEU A 124 -10.916 4.597 -4.332 1.00 1.23 H new ATOM 0 HG LEU A 124 -11.156 4.849 -1.800 1.00 1.15 H new ATOM 0 HD11 LEU A 124 -12.624 3.238 -0.674 1.00 1.32 H new ATOM 0 HD12 LEU A 124 -13.547 4.444 -1.601 1.00 1.32 H new ATOM 0 HD13 LEU A 124 -13.340 2.797 -2.242 1.00 1.32 H new ATOM 0 HD21 LEU A 124 -10.402 2.512 -1.441 1.00 1.75 H new ATOM 0 HD22 LEU A 124 -11.023 2.075 -3.051 1.00 1.75 H new ATOM 0 HD23 LEU A 124 -9.670 3.221 -2.900 1.00 1.75 H new ATOM 20 N GLY A 125 -13.958 6.526 -5.814 1.00 1.19 N ATOM 21 CA GLY A 125 -14.253 6.782 -7.214 1.00 1.32 C ATOM 22 C GLY A 125 -13.359 7.847 -7.821 1.00 1.24 C ATOM 23 O GLY A 125 -13.074 7.816 -9.017 1.00 1.68 O ATOM 0 H GLY A 125 -14.764 6.593 -5.193 1.00 1.19 H new ATOM 0 HA2 GLY A 125 -14.142 5.856 -7.779 1.00 1.32 H new ATOM 0 HA3 GLY A 125 -15.294 7.091 -7.310 1.00 1.32 H new ATOM 27 N GLY A 126 -12.910 8.783 -6.997 1.00 1.13 N ATOM 28 CA GLY A 126 -12.020 9.820 -7.470 1.00 1.14 C ATOM 29 C GLY A 126 -10.861 10.055 -6.530 1.00 1.08 C ATOM 30 O GLY A 126 -10.499 11.195 -6.255 1.00 1.83 O ATOM 0 H GLY A 126 -13.148 8.841 -6.007 1.00 1.13 H new ATOM 0 HA2 GLY A 126 -11.637 9.546 -8.453 1.00 1.14 H new ATOM 0 HA3 GLY A 126 -12.579 10.748 -7.592 1.00 1.14 H new ATOM 34 N TYR A 127 -10.278 8.981 -6.022 1.00 0.61 N ATOM 35 CA TYR A 127 -9.102 9.106 -5.198 1.00 0.44 C ATOM 36 C TYR A 127 -7.850 8.863 -6.022 1.00 0.45 C ATOM 37 O TYR A 127 -7.749 7.916 -6.806 1.00 0.71 O ATOM 38 CB TYR A 127 -9.137 8.204 -3.939 1.00 0.37 C ATOM 39 CG TYR A 127 -9.931 8.817 -2.809 1.00 0.46 C ATOM 40 CD1 TYR A 127 -11.277 9.117 -2.962 1.00 1.26 C ATOM 41 CD2 TYR A 127 -9.338 9.079 -1.584 1.00 0.86 C ATOM 42 CE1 TYR A 127 -12.007 9.662 -1.926 1.00 1.38 C ATOM 43 CE2 TYR A 127 -10.062 9.618 -0.543 1.00 0.92 C ATOM 44 CZ TYR A 127 -11.385 9.974 -0.748 1.00 0.78 C ATOM 45 OH TYR A 127 -12.119 10.432 0.322 1.00 0.96 O ATOM 0 H TYR A 127 -10.601 8.025 -6.168 1.00 0.61 H new ATOM 0 HA TYR A 127 -9.085 10.130 -4.825 1.00 0.44 H new ATOM 0 HB2 TYR A 127 -9.569 7.238 -4.200 1.00 0.37 H new ATOM 0 HB3 TYR A 127 -8.117 8.016 -3.602 1.00 0.37 H new ATOM 0 HD1 TYR A 127 -11.761 8.921 -3.907 1.00 1.26 H new ATOM 0 HD2 TYR A 127 -8.291 8.857 -1.443 1.00 0.86 H new ATOM 0 HE1 TYR A 127 -13.065 9.842 -2.044 1.00 1.38 H new ATOM 0 HE2 TYR A 127 -9.602 9.762 0.424 1.00 0.92 H new ATOM 0 HH TYR A 127 -11.521 10.605 1.079 1.00 0.96 H new ATOM 55 N MET A 128 -6.937 9.778 -5.838 1.00 0.38 N ATOM 56 CA MET A 128 -5.605 9.726 -6.333 1.00 0.41 C ATOM 57 C MET A 128 -4.889 8.615 -5.614 1.00 0.42 C ATOM 58 O MET A 128 -4.380 8.854 -4.523 1.00 0.43 O ATOM 59 CB MET A 128 -4.964 11.040 -5.908 1.00 0.46 C ATOM 60 CG MET A 128 -3.746 11.479 -6.687 1.00 0.45 C ATOM 61 SD MET A 128 -2.366 10.325 -6.643 1.00 0.52 S ATOM 62 CE MET A 128 -1.825 10.584 -4.964 1.00 0.46 C ATOM 0 H MET A 128 -7.124 10.627 -5.305 1.00 0.38 H new ATOM 0 HA MET A 128 -5.566 9.569 -7.411 1.00 0.41 H new ATOM 0 HB2 MET A 128 -5.716 11.826 -5.980 1.00 0.46 H new ATOM 0 HB3 MET A 128 -4.686 10.960 -4.857 1.00 0.46 H new ATOM 0 HG2 MET A 128 -4.035 11.639 -7.726 1.00 0.45 H new ATOM 0 HG3 MET A 128 -3.410 12.440 -6.298 1.00 0.45 H new ATOM 0 HE1 MET A 128 -0.844 10.130 -4.824 1.00 0.46 H new ATOM 0 HE2 MET A 128 -1.762 11.653 -4.763 1.00 0.46 H new ATOM 0 HE3 MET A 128 -2.538 10.127 -4.277 1.00 0.46 H new ATOM 72 N LEU A 129 -4.880 7.404 -6.129 1.00 0.57 N ATOM 73 CA LEU A 129 -4.220 6.370 -5.375 1.00 0.66 C ATOM 74 C LEU A 129 -2.772 6.761 -5.132 1.00 0.56 C ATOM 75 O LEU A 129 -1.981 6.883 -6.062 1.00 0.56 O ATOM 76 CB LEU A 129 -4.376 4.962 -5.966 1.00 0.92 C ATOM 77 CG LEU A 129 -4.221 4.802 -7.456 1.00 0.37 C ATOM 78 CD1 LEU A 129 -2.765 4.626 -7.858 1.00 1.12 C ATOM 79 CD2 LEU A 129 -5.060 3.616 -7.894 1.00 1.15 C ATOM 0 H LEU A 129 -5.298 7.124 -7.016 1.00 0.57 H new ATOM 0 HA LEU A 129 -4.725 6.295 -4.412 1.00 0.66 H new ATOM 0 HB2 LEU A 129 -3.646 4.313 -5.482 1.00 0.92 H new ATOM 0 HB3 LEU A 129 -5.363 4.591 -5.691 1.00 0.92 H new ATOM 0 HG LEU A 129 -4.566 5.707 -7.955 1.00 0.37 H new ATOM 0 HD11 LEU A 129 -2.697 4.514 -8.940 1.00 1.12 H new ATOM 0 HD12 LEU A 129 -2.193 5.501 -7.547 1.00 1.12 H new ATOM 0 HD13 LEU A 129 -2.359 3.737 -7.375 1.00 1.12 H new ATOM 0 HD21 LEU A 129 -4.964 3.480 -8.971 1.00 1.15 H new ATOM 0 HD22 LEU A 129 -4.715 2.717 -7.383 1.00 1.15 H new ATOM 0 HD23 LEU A 129 -6.105 3.797 -7.643 1.00 1.15 H new ATOM 91 N GLY A 130 -2.494 7.032 -3.850 1.00 0.57 N ATOM 92 CA GLY A 130 -1.240 7.573 -3.416 1.00 0.55 C ATOM 93 C GLY A 130 -0.039 6.810 -3.961 1.00 0.53 C ATOM 94 O GLY A 130 0.448 5.884 -3.309 1.00 0.58 O ATOM 0 H GLY A 130 -3.156 6.872 -3.090 1.00 0.57 H new ATOM 0 HA2 GLY A 130 -1.173 8.615 -3.728 1.00 0.55 H new ATOM 0 HA3 GLY A 130 -1.205 7.564 -2.327 1.00 0.55 H new ATOM 98 N SER A 131 0.405 7.179 -5.160 1.00 0.56 N ATOM 99 CA SER A 131 1.569 6.576 -5.804 1.00 0.62 C ATOM 100 C SER A 131 1.320 5.130 -6.212 1.00 0.63 C ATOM 101 O SER A 131 0.968 4.268 -5.403 1.00 1.04 O ATOM 102 CB SER A 131 2.808 6.678 -4.917 1.00 0.71 C ATOM 103 OG SER A 131 3.897 5.926 -5.434 1.00 1.30 O ATOM 0 H SER A 131 -0.037 7.911 -5.716 1.00 0.56 H new ATOM 0 HA SER A 131 1.750 7.145 -6.716 1.00 0.62 H new ATOM 0 HB2 SER A 131 3.102 7.724 -4.823 1.00 0.71 H new ATOM 0 HB3 SER A 131 2.566 6.324 -3.915 1.00 0.71 H new ATOM 0 HG SER A 131 4.216 5.300 -4.751 1.00 1.30 H new ATOM 109 N ALA A 132 1.532 4.881 -7.484 1.00 0.64 N ATOM 110 CA ALA A 132 1.410 3.541 -8.037 1.00 0.58 C ATOM 111 C ALA A 132 2.797 2.965 -8.261 1.00 0.53 C ATOM 112 O ALA A 132 3.266 2.838 -9.396 1.00 0.65 O ATOM 113 CB ALA A 132 0.621 3.540 -9.333 1.00 0.71 C ATOM 0 H ALA A 132 1.793 5.594 -8.166 1.00 0.64 H new ATOM 0 HA ALA A 132 0.864 2.922 -7.326 1.00 0.58 H new ATOM 0 HB1 ALA A 132 0.551 2.522 -9.716 1.00 0.71 H new ATOM 0 HB2 ALA A 132 -0.381 3.928 -9.149 1.00 0.71 H new ATOM 0 HB3 ALA A 132 1.125 4.169 -10.066 1.00 0.71 H new ATOM 119 N MET A 133 3.464 2.677 -7.157 1.00 0.46 N ATOM 120 CA MET A 133 4.810 2.126 -7.174 1.00 0.49 C ATOM 121 C MET A 133 4.813 0.730 -7.778 1.00 0.61 C ATOM 122 O MET A 133 3.773 0.085 -7.886 1.00 1.65 O ATOM 123 CB MET A 133 5.350 2.048 -5.746 1.00 0.48 C ATOM 124 CG MET A 133 4.399 1.350 -4.809 1.00 0.41 C ATOM 125 SD MET A 133 5.190 0.127 -3.766 1.00 0.73 S ATOM 126 CE MET A 133 3.873 -0.247 -2.611 1.00 0.40 C ATOM 0 H MET A 133 3.087 2.819 -6.220 1.00 0.46 H new ATOM 0 HA MET A 133 5.440 2.778 -7.780 1.00 0.49 H new ATOM 0 HB2 MET A 133 6.304 1.521 -5.750 1.00 0.48 H new ATOM 0 HB3 MET A 133 5.544 3.056 -5.378 1.00 0.48 H new ATOM 0 HG2 MET A 133 3.912 2.094 -4.178 1.00 0.41 H new ATOM 0 HG3 MET A 133 3.616 0.866 -5.393 1.00 0.41 H new ATOM 0 HE1 MET A 133 4.151 0.101 -1.616 1.00 0.40 H new ATOM 0 HE2 MET A 133 2.958 0.254 -2.928 1.00 0.40 H new ATOM 0 HE3 MET A 133 3.707 -1.324 -2.585 1.00 0.40 H new ATOM 136 N SER A 134 5.984 0.264 -8.155 1.00 0.72 N ATOM 137 CA SER A 134 6.137 -1.102 -8.605 1.00 0.60 C ATOM 138 C SER A 134 6.751 -1.939 -7.491 1.00 0.52 C ATOM 139 O SER A 134 7.591 -2.810 -7.735 1.00 0.74 O ATOM 140 CB SER A 134 6.994 -1.143 -9.871 1.00 0.71 C ATOM 141 OG SER A 134 8.113 -0.277 -9.761 1.00 1.49 O ATOM 0 H SER A 134 6.845 0.812 -8.159 1.00 0.72 H new ATOM 0 HA SER A 134 5.161 -1.521 -8.850 1.00 0.60 H new ATOM 0 HB2 SER A 134 7.336 -2.163 -10.049 1.00 0.71 H new ATOM 0 HB3 SER A 134 6.390 -0.854 -10.732 1.00 0.71 H new ATOM 0 HG SER A 134 8.645 -0.324 -10.583 1.00 1.49 H new ATOM 147 N ARG A 135 6.302 -1.652 -6.263 1.00 0.47 N ATOM 148 CA ARG A 135 6.726 -2.356 -5.070 1.00 0.43 C ATOM 149 C ARG A 135 8.163 -1.943 -4.681 1.00 0.47 C ATOM 150 O ARG A 135 9.099 -2.125 -5.454 1.00 0.59 O ATOM 151 CB ARG A 135 6.573 -3.855 -5.291 1.00 0.55 C ATOM 152 CG ARG A 135 6.592 -4.655 -4.021 1.00 0.49 C ATOM 153 CD ARG A 135 8.003 -4.813 -3.546 1.00 1.38 C ATOM 154 NE ARG A 135 8.884 -5.236 -4.641 1.00 2.40 N ATOM 155 CZ ARG A 135 9.099 -6.502 -5.009 1.00 3.22 C ATOM 156 NH1 ARG A 135 8.570 -7.506 -4.323 1.00 3.47 N ATOM 157 NH2 ARG A 135 9.846 -6.752 -6.073 1.00 4.16 N ATOM 0 H ARG A 135 5.625 -0.912 -6.079 1.00 0.47 H new ATOM 0 HA ARG A 135 6.093 -2.084 -4.225 1.00 0.43 H new ATOM 0 HB2 ARG A 135 5.636 -4.043 -5.815 1.00 0.55 H new ATOM 0 HB3 ARG A 135 7.376 -4.202 -5.941 1.00 0.55 H new ATOM 0 HG2 ARG A 135 5.994 -4.157 -3.257 1.00 0.49 H new ATOM 0 HG3 ARG A 135 6.143 -5.634 -4.189 1.00 0.49 H new ATOM 0 HD2 ARG A 135 8.359 -3.869 -3.133 1.00 1.38 H new ATOM 0 HD3 ARG A 135 8.039 -5.547 -2.741 1.00 1.38 H new ATOM 0 HE ARG A 135 9.370 -4.506 -5.162 1.00 2.40 H new ATOM 0 HH11 ARG A 135 7.992 -7.316 -3.505 1.00 3.47 H new ATOM 0 HH12 ARG A 135 8.741 -8.469 -4.614 1.00 3.47 H new ATOM 0 HH21 ARG A 135 10.252 -5.981 -6.604 1.00 4.16 H new ATOM 0 HH22 ARG A 135 10.016 -7.715 -6.362 1.00 4.16 H new ATOM 171 N PRO A 136 8.360 -1.408 -3.454 1.00 0.43 N ATOM 172 CA PRO A 136 9.603 -0.743 -3.050 1.00 0.49 C ATOM 173 C PRO A 136 10.636 -1.692 -2.455 1.00 0.46 C ATOM 174 O PRO A 136 11.549 -1.261 -1.753 1.00 0.58 O ATOM 175 CB PRO A 136 9.135 0.251 -1.974 1.00 0.52 C ATOM 176 CG PRO A 136 7.699 -0.083 -1.688 1.00 0.47 C ATOM 177 CD PRO A 136 7.414 -1.407 -2.342 1.00 0.40 C ATOM 0 HA PRO A 136 10.102 -0.291 -3.907 1.00 0.49 H new ATOM 0 HB2 PRO A 136 9.742 0.163 -1.073 1.00 0.52 H new ATOM 0 HB3 PRO A 136 9.233 1.278 -2.325 1.00 0.52 H new ATOM 0 HG2 PRO A 136 7.523 -0.138 -0.614 1.00 0.47 H new ATOM 0 HG3 PRO A 136 7.038 0.690 -2.080 1.00 0.47 H new ATOM 0 HD2 PRO A 136 7.583 -2.242 -1.662 1.00 0.40 H new ATOM 0 HD3 PRO A 136 6.382 -1.479 -2.685 1.00 0.40 H new ATOM 185 N LEU A 137 10.480 -2.975 -2.743 1.00 0.42 N ATOM 186 CA LEU A 137 11.390 -4.003 -2.251 1.00 0.48 C ATOM 187 C LEU A 137 11.363 -4.071 -0.727 1.00 0.45 C ATOM 188 O LEU A 137 12.233 -3.531 -0.047 1.00 0.62 O ATOM 189 CB LEU A 137 12.828 -3.775 -2.748 1.00 0.70 C ATOM 190 CG LEU A 137 13.093 -4.083 -4.229 1.00 0.77 C ATOM 191 CD1 LEU A 137 12.655 -5.499 -4.571 1.00 1.32 C ATOM 192 CD2 LEU A 137 12.406 -3.075 -5.138 1.00 1.33 C ATOM 0 H LEU A 137 9.722 -3.334 -3.323 1.00 0.42 H new ATOM 0 HA LEU A 137 11.044 -4.957 -2.650 1.00 0.48 H new ATOM 0 HB2 LEU A 137 13.093 -2.734 -2.562 1.00 0.70 H new ATOM 0 HB3 LEU A 137 13.499 -4.387 -2.146 1.00 0.70 H new ATOM 0 HG LEU A 137 14.167 -4.003 -4.396 1.00 0.77 H new ATOM 0 HD11 LEU A 137 12.852 -5.696 -5.625 1.00 1.32 H new ATOM 0 HD12 LEU A 137 13.211 -6.210 -3.959 1.00 1.32 H new ATOM 0 HD13 LEU A 137 11.588 -5.607 -4.375 1.00 1.32 H new ATOM 0 HD21 LEU A 137 12.614 -3.323 -6.179 1.00 1.33 H new ATOM 0 HD22 LEU A 137 11.330 -3.104 -4.966 1.00 1.33 H new ATOM 0 HD23 LEU A 137 12.781 -2.075 -4.921 1.00 1.33 H new ATOM 204 N ILE A 138 10.335 -4.721 -0.196 1.00 0.38 N ATOM 205 CA ILE A 138 10.210 -4.928 1.241 1.00 0.39 C ATOM 206 C ILE A 138 10.930 -6.213 1.629 1.00 0.50 C ATOM 207 O ILE A 138 11.084 -6.518 2.804 1.00 1.19 O ATOM 208 CB ILE A 138 8.733 -5.028 1.661 1.00 0.38 C ATOM 209 CG1 ILE A 138 7.915 -3.897 1.033 1.00 0.25 C ATOM 210 CG2 ILE A 138 8.588 -4.990 3.173 1.00 0.57 C ATOM 211 CD1 ILE A 138 8.247 -2.524 1.575 1.00 0.31 C ATOM 0 H ILE A 138 9.571 -5.116 -0.744 1.00 0.38 H new ATOM 0 HA ILE A 138 10.657 -4.075 1.751 1.00 0.39 H new ATOM 0 HB ILE A 138 8.352 -5.984 1.301 1.00 0.38 H new ATOM 0 HG12 ILE A 138 8.077 -3.900 -0.045 1.00 0.25 H new ATOM 0 HG13 ILE A 138 6.856 -4.095 1.196 1.00 0.25 H new ATOM 0 HG21 ILE A 138 7.534 -5.062 3.439 1.00 0.57 H new ATOM 0 HG22 ILE A 138 9.131 -5.827 3.612 1.00 0.57 H new ATOM 0 HG23 ILE A 138 8.995 -4.053 3.554 1.00 0.57 H new ATOM 0 HD11 ILE A 138 7.626 -1.778 1.080 1.00 0.31 H new ATOM 0 HD12 ILE A 138 8.057 -2.501 2.648 1.00 0.31 H new ATOM 0 HD13 ILE A 138 9.298 -2.303 1.388 1.00 0.31 H new ATOM 223 N HIS A 139 11.359 -6.952 0.596 1.00 0.65 N ATOM 224 CA HIS A 139 12.188 -8.170 0.710 1.00 0.75 C ATOM 225 C HIS A 139 11.757 -9.140 1.806 1.00 0.84 C ATOM 226 O HIS A 139 11.068 -10.116 1.529 1.00 1.80 O ATOM 227 CB HIS A 139 13.694 -7.849 0.857 1.00 0.84 C ATOM 228 CG HIS A 139 13.997 -6.609 1.646 1.00 0.72 C ATOM 229 ND1 HIS A 139 13.907 -6.365 2.971 1.00 1.02 N flip ATOM 230 CD2 HIS A 139 14.348 -5.416 1.066 1.00 1.15 C flip ATOM 231 CE1 HIS A 139 14.173 -5.035 3.169 1.00 1.08 C flip ATOM 232 NE2 HIS A 139 14.446 -4.491 1.997 1.00 1.33 N flip ATOM 0 H HIS A 139 11.135 -6.716 -0.371 1.00 0.65 H new ATOM 0 HA HIS A 139 12.020 -8.680 -0.239 1.00 0.75 H new ATOM 0 HB2 HIS A 139 14.187 -8.696 1.334 1.00 0.84 H new ATOM 0 HB3 HIS A 139 14.128 -7.746 -0.137 1.00 0.84 H new ATOM 0 HD2 HIS A 139 14.517 -5.260 0.011 1.00 1.15 H new ATOM 0 HE1 HIS A 139 14.161 -4.521 4.119 1.00 1.08 H new ATOM 0 HE2 HIS A 139 14.692 -3.514 1.839 1.00 1.33 H new ATOM 241 N PHE A 140 12.170 -8.858 3.041 1.00 0.66 N ATOM 242 CA PHE A 140 12.167 -9.821 4.140 1.00 0.54 C ATOM 243 C PHE A 140 13.279 -10.845 3.931 1.00 0.63 C ATOM 244 O PHE A 140 13.946 -11.255 4.880 1.00 0.76 O ATOM 245 CB PHE A 140 10.825 -10.550 4.294 1.00 0.53 C ATOM 246 CG PHE A 140 9.637 -9.649 4.432 1.00 0.40 C ATOM 247 CD1 PHE A 140 9.535 -8.760 5.488 1.00 0.72 C ATOM 248 CD2 PHE A 140 8.615 -9.697 3.500 1.00 0.71 C ATOM 249 CE1 PHE A 140 8.435 -7.936 5.609 1.00 0.74 C ATOM 250 CE2 PHE A 140 7.516 -8.877 3.617 1.00 0.67 C ATOM 251 CZ PHE A 140 7.424 -7.997 4.670 1.00 0.35 C ATOM 0 H PHE A 140 12.522 -7.939 3.310 1.00 0.66 H new ATOM 0 HA PHE A 140 12.334 -9.255 5.057 1.00 0.54 H new ATOM 0 HB2 PHE A 140 10.676 -11.196 3.428 1.00 0.53 H new ATOM 0 HB3 PHE A 140 10.877 -11.197 5.169 1.00 0.53 H new ATOM 0 HD1 PHE A 140 10.324 -8.711 6.224 1.00 0.72 H new ATOM 0 HD2 PHE A 140 8.681 -10.386 2.671 1.00 0.71 H new ATOM 0 HE1 PHE A 140 8.365 -7.245 6.436 1.00 0.74 H new ATOM 0 HE2 PHE A 140 6.726 -8.924 2.882 1.00 0.67 H new ATOM 0 HZ PHE A 140 6.561 -7.354 4.763 1.00 0.35 H new ATOM 261 N GLY A 141 13.478 -11.250 2.681 1.00 0.66 N ATOM 262 CA GLY A 141 14.411 -12.313 2.384 1.00 0.77 C ATOM 263 C GLY A 141 13.822 -13.633 2.804 1.00 0.74 C ATOM 264 O GLY A 141 14.529 -14.618 3.002 1.00 0.86 O ATOM 0 H GLY A 141 13.006 -10.857 1.867 1.00 0.66 H new ATOM 0 HA2 GLY A 141 14.635 -12.326 1.317 1.00 0.77 H new ATOM 0 HA3 GLY A 141 15.352 -12.141 2.906 1.00 0.77 H new ATOM 268 N ASN A 142 12.504 -13.630 2.943 1.00 0.63 N ATOM 269 CA ASN A 142 11.784 -14.774 3.502 1.00 0.63 C ATOM 270 C ASN A 142 11.392 -15.789 2.441 1.00 0.63 C ATOM 271 O ASN A 142 11.733 -15.661 1.266 1.00 0.65 O ATOM 272 CB ASN A 142 10.519 -14.324 4.245 1.00 0.61 C ATOM 273 CG ASN A 142 10.799 -13.754 5.628 1.00 0.81 C ATOM 274 OD1 ASN A 142 11.984 -13.202 5.831 1.00 1.68 O flip ATOM 275 ND2 ASN A 142 9.948 -13.824 6.513 1.00 1.02 N flip ATOM 0 H ASN A 142 11.907 -12.847 2.677 1.00 0.63 H new ATOM 0 HA ASN A 142 12.474 -15.250 4.199 1.00 0.63 H new ATOM 0 HB2 ASN A 142 10.004 -13.571 3.648 1.00 0.61 H new ATOM 0 HB3 ASN A 142 9.842 -15.173 4.341 1.00 0.61 H new ATOM 0 HD21 ASN A 142 9.045 -14.257 6.319 1.00 1.02 H new ATOM 0 HD22 ASN A 142 10.145 -13.449 7.441 1.00 1.02 H new ATOM 282 N ASP A 143 10.689 -16.808 2.890 1.00 0.66 N ATOM 283 CA ASP A 143 10.150 -17.840 2.023 1.00 0.67 C ATOM 284 C ASP A 143 8.691 -17.554 1.707 1.00 0.61 C ATOM 285 O ASP A 143 8.319 -17.323 0.558 1.00 0.57 O ATOM 286 CB ASP A 143 10.276 -19.207 2.703 1.00 0.79 C ATOM 287 CG ASP A 143 9.755 -20.343 1.846 1.00 1.34 C ATOM 288 OD1 ASP A 143 8.524 -20.547 1.795 1.00 2.11 O ATOM 289 OD2 ASP A 143 10.577 -21.046 1.225 1.00 1.77 O ATOM 0 H ASP A 143 10.472 -16.946 3.877 1.00 0.66 H new ATOM 0 HA ASP A 143 10.716 -17.848 1.092 1.00 0.67 H new ATOM 0 HB2 ASP A 143 11.323 -19.392 2.945 1.00 0.79 H new ATOM 0 HB3 ASP A 143 9.729 -19.190 3.646 1.00 0.79 H new ATOM 294 N TYR A 144 7.871 -17.561 2.751 1.00 0.64 N ATOM 295 CA TYR A 144 6.428 -17.469 2.595 1.00 0.62 C ATOM 296 C TYR A 144 5.940 -16.035 2.770 1.00 0.55 C ATOM 297 O TYR A 144 4.989 -15.626 2.115 1.00 0.53 O ATOM 298 CB TYR A 144 5.746 -18.399 3.601 1.00 0.76 C ATOM 299 CG TYR A 144 4.309 -18.737 3.272 1.00 0.80 C ATOM 300 CD1 TYR A 144 3.978 -19.363 2.078 1.00 1.17 C ATOM 301 CD2 TYR A 144 3.282 -18.413 4.150 1.00 0.98 C ATOM 302 CE1 TYR A 144 2.665 -19.656 1.767 1.00 1.28 C ATOM 303 CE2 TYR A 144 1.966 -18.708 3.848 1.00 1.09 C ATOM 304 CZ TYR A 144 1.672 -19.388 2.678 1.00 1.08 C ATOM 305 OH TYR A 144 0.353 -19.614 2.343 1.00 1.26 O ATOM 0 H TYR A 144 8.185 -17.630 3.719 1.00 0.64 H new ATOM 0 HA TYR A 144 6.167 -17.779 1.583 1.00 0.62 H new ATOM 0 HB2 TYR A 144 6.318 -19.325 3.665 1.00 0.76 H new ATOM 0 HB3 TYR A 144 5.780 -17.934 4.586 1.00 0.76 H new ATOM 0 HD1 TYR A 144 4.760 -19.625 1.381 1.00 1.17 H new ATOM 0 HD2 TYR A 144 3.516 -17.923 5.083 1.00 0.98 H new ATOM 0 HE1 TYR A 144 2.419 -20.094 0.811 1.00 1.28 H new ATOM 0 HE2 TYR A 144 1.174 -18.411 4.519 1.00 1.09 H new ATOM 0 HH TYR A 144 -0.129 -18.761 2.317 1.00 1.26 H new ATOM 315 N GLU A 145 6.577 -15.270 3.652 1.00 0.58 N ATOM 316 CA GLU A 145 6.216 -13.864 3.803 1.00 0.54 C ATOM 317 C GLU A 145 6.735 -13.067 2.622 1.00 0.51 C ATOM 318 O GLU A 145 6.039 -12.198 2.105 1.00 0.50 O ATOM 319 CB GLU A 145 6.757 -13.266 5.094 1.00 0.61 C ATOM 320 CG GLU A 145 6.183 -13.891 6.346 1.00 0.76 C ATOM 321 CD GLU A 145 6.517 -13.092 7.585 1.00 1.31 C ATOM 322 OE1 GLU A 145 6.081 -11.927 7.680 1.00 1.71 O ATOM 323 OE2 GLU A 145 7.204 -13.626 8.480 1.00 1.74 O ATOM 0 H GLU A 145 7.330 -15.591 4.261 1.00 0.58 H new ATOM 0 HA GLU A 145 5.128 -13.812 3.842 1.00 0.54 H new ATOM 0 HB2 GLU A 145 7.841 -13.377 5.108 1.00 0.61 H new ATOM 0 HB3 GLU A 145 6.546 -12.197 5.104 1.00 0.61 H new ATOM 0 HG2 GLU A 145 5.100 -13.970 6.247 1.00 0.76 H new ATOM 0 HG3 GLU A 145 6.569 -14.905 6.454 1.00 0.76 H new ATOM 330 N ASP A 146 7.963 -13.373 2.206 1.00 0.54 N ATOM 331 CA ASP A 146 8.530 -12.802 0.986 1.00 0.54 C ATOM 332 C ASP A 146 7.594 -13.101 -0.161 1.00 0.48 C ATOM 333 O ASP A 146 7.245 -12.234 -0.949 1.00 0.51 O ATOM 334 CB ASP A 146 9.894 -13.418 0.690 1.00 0.57 C ATOM 335 CG ASP A 146 10.555 -12.855 -0.557 1.00 0.87 C ATOM 336 OD1 ASP A 146 10.213 -13.298 -1.671 1.00 1.38 O ATOM 337 OD2 ASP A 146 11.393 -11.940 -0.429 1.00 1.30 O ATOM 0 H ASP A 146 8.585 -14.015 2.697 1.00 0.54 H new ATOM 0 HA ASP A 146 8.653 -11.727 1.115 1.00 0.54 H new ATOM 0 HB2 ASP A 146 10.551 -13.255 1.545 1.00 0.57 H new ATOM 0 HB3 ASP A 146 9.780 -14.496 0.576 1.00 0.57 H new ATOM 342 N ARG A 147 7.192 -14.358 -0.216 1.00 0.44 N ATOM 343 CA ARG A 147 6.197 -14.833 -1.148 1.00 0.45 C ATOM 344 C ARG A 147 4.925 -14.011 -1.073 1.00 0.38 C ATOM 345 O ARG A 147 4.516 -13.369 -2.015 1.00 0.35 O ATOM 346 CB ARG A 147 5.835 -16.271 -0.801 1.00 0.59 C ATOM 347 CG ARG A 147 4.573 -16.731 -1.490 1.00 0.80 C ATOM 348 CD ARG A 147 4.775 -16.592 -2.956 1.00 0.67 C ATOM 349 NE ARG A 147 3.603 -16.951 -3.737 1.00 1.38 N ATOM 350 CZ ARG A 147 3.429 -18.129 -4.335 1.00 1.78 C ATOM 351 NH1 ARG A 147 4.344 -19.086 -4.222 1.00 1.90 N ATOM 352 NH2 ARG A 147 2.337 -18.336 -5.059 1.00 2.55 N ATOM 0 H ARG A 147 7.557 -15.086 0.398 1.00 0.44 H new ATOM 0 HA ARG A 147 6.618 -14.754 -2.150 1.00 0.45 H new ATOM 0 HB2 ARG A 147 6.659 -16.928 -1.082 1.00 0.59 H new ATOM 0 HB3 ARG A 147 5.710 -16.361 0.278 1.00 0.59 H new ATOM 0 HG2 ARG A 147 4.354 -17.767 -1.232 1.00 0.80 H new ATOM 0 HG3 ARG A 147 3.721 -16.134 -1.164 1.00 0.80 H new ATOM 0 HD2 ARG A 147 5.051 -15.562 -3.181 1.00 0.67 H new ATOM 0 HD3 ARG A 147 5.612 -17.220 -3.261 1.00 0.67 H new ATOM 0 HE ARG A 147 2.864 -16.255 -3.834 1.00 1.38 H new ATOM 0 HH11 ARG A 147 5.188 -18.922 -3.674 1.00 1.90 H new ATOM 0 HH12 ARG A 147 4.202 -19.985 -4.683 1.00 1.90 H new ATOM 0 HH21 ARG A 147 1.640 -17.597 -5.154 1.00 2.55 H new ATOM 0 HH22 ARG A 147 2.194 -19.234 -5.521 1.00 2.55 H new ATOM 366 N TYR A 148 4.291 -14.073 0.052 1.00 0.39 N ATOM 367 CA TYR A 148 2.989 -13.493 0.221 1.00 0.38 C ATOM 368 C TYR A 148 3.030 -11.990 -0.007 1.00 0.32 C ATOM 369 O TYR A 148 2.112 -11.429 -0.593 1.00 0.44 O ATOM 370 CB TYR A 148 2.514 -13.905 1.598 1.00 0.53 C ATOM 371 CG TYR A 148 1.391 -14.931 1.631 1.00 0.90 C ATOM 372 CD1 TYR A 148 0.963 -15.607 0.485 1.00 1.93 C ATOM 373 CD2 TYR A 148 0.761 -15.229 2.833 1.00 1.13 C ATOM 374 CE1 TYR A 148 -0.057 -16.539 0.548 1.00 2.86 C ATOM 375 CE2 TYR A 148 -0.255 -16.161 2.898 1.00 1.93 C ATOM 376 CZ TYR A 148 -0.661 -16.811 1.755 1.00 2.73 C ATOM 377 OH TYR A 148 -1.674 -17.744 1.824 1.00 3.74 O ATOM 0 H TYR A 148 4.659 -14.529 0.887 1.00 0.39 H new ATOM 0 HA TYR A 148 2.274 -13.853 -0.519 1.00 0.38 H new ATOM 0 HB2 TYR A 148 3.364 -14.306 2.150 1.00 0.53 H new ATOM 0 HB3 TYR A 148 2.182 -13.013 2.129 1.00 0.53 H new ATOM 0 HD1 TYR A 148 1.436 -15.399 -0.463 1.00 1.93 H new ATOM 0 HD2 TYR A 148 1.072 -14.721 3.734 1.00 1.13 H new ATOM 0 HE1 TYR A 148 -0.379 -17.052 -0.347 1.00 2.86 H new ATOM 0 HE2 TYR A 148 -0.730 -16.379 3.843 1.00 1.93 H new ATOM 0 HH TYR A 148 -1.990 -17.816 2.749 1.00 3.74 H new ATOM 387 N TYR A 149 4.094 -11.342 0.424 1.00 0.27 N ATOM 388 CA TYR A 149 4.360 -9.974 0.013 1.00 0.25 C ATOM 389 C TYR A 149 4.679 -9.853 -1.504 1.00 0.25 C ATOM 390 O TYR A 149 4.292 -8.873 -2.133 1.00 0.29 O ATOM 391 CB TYR A 149 5.469 -9.391 0.893 1.00 0.35 C ATOM 392 CG TYR A 149 6.602 -8.749 0.148 1.00 0.31 C ATOM 393 CD1 TYR A 149 6.444 -7.519 -0.465 1.00 0.85 C ATOM 394 CD2 TYR A 149 7.838 -9.371 0.070 1.00 1.17 C ATOM 395 CE1 TYR A 149 7.486 -6.929 -1.139 1.00 0.80 C ATOM 396 CE2 TYR A 149 8.887 -8.783 -0.596 1.00 1.32 C ATOM 397 CZ TYR A 149 8.707 -7.562 -1.199 1.00 0.63 C ATOM 398 OH TYR A 149 9.756 -6.961 -1.855 1.00 0.81 O ATOM 0 H TYR A 149 4.788 -11.738 1.058 1.00 0.27 H new ATOM 0 HA TYR A 149 3.453 -9.387 0.156 1.00 0.25 H new ATOM 0 HB2 TYR A 149 5.029 -8.651 1.562 1.00 0.35 H new ATOM 0 HB3 TYR A 149 5.871 -10.188 1.519 1.00 0.35 H new ATOM 0 HD1 TYR A 149 5.490 -7.016 -0.413 1.00 0.85 H new ATOM 0 HD2 TYR A 149 7.979 -10.333 0.540 1.00 1.17 H new ATOM 0 HE1 TYR A 149 7.348 -5.972 -1.620 1.00 0.80 H new ATOM 0 HE2 TYR A 149 9.846 -9.278 -0.645 1.00 1.32 H new ATOM 0 HH TYR A 149 10.258 -7.636 -2.358 1.00 0.81 H new ATOM 408 N ARG A 150 5.356 -10.830 -2.101 1.00 0.27 N ATOM 409 CA ARG A 150 5.655 -10.784 -3.550 1.00 0.30 C ATOM 410 C ARG A 150 4.364 -10.979 -4.358 1.00 0.33 C ATOM 411 O ARG A 150 4.310 -10.782 -5.566 1.00 0.40 O ATOM 412 CB ARG A 150 6.646 -11.880 -3.974 1.00 0.32 C ATOM 413 CG ARG A 150 5.973 -13.199 -4.300 1.00 0.78 C ATOM 414 CD ARG A 150 6.824 -14.085 -5.192 1.00 0.83 C ATOM 415 NE ARG A 150 6.634 -13.769 -6.606 1.00 0.94 N ATOM 416 CZ ARG A 150 7.399 -14.237 -7.590 1.00 1.23 C ATOM 417 NH1 ARG A 150 8.434 -15.023 -7.322 1.00 1.61 N ATOM 418 NH2 ARG A 150 7.123 -13.916 -8.845 1.00 1.36 N ATOM 0 H ARG A 150 5.709 -11.658 -1.621 1.00 0.27 H new ATOM 0 HA ARG A 150 6.101 -9.809 -3.748 1.00 0.30 H new ATOM 0 HB2 ARG A 150 7.204 -11.539 -4.846 1.00 0.32 H new ATOM 0 HB3 ARG A 150 7.369 -12.036 -3.174 1.00 0.32 H new ATOM 0 HG2 ARG A 150 5.752 -13.728 -3.373 1.00 0.78 H new ATOM 0 HG3 ARG A 150 5.020 -13.004 -4.791 1.00 0.78 H new ATOM 0 HD2 ARG A 150 7.875 -13.963 -4.930 1.00 0.83 H new ATOM 0 HD3 ARG A 150 6.570 -15.130 -5.015 1.00 0.83 H new ATOM 0 HE ARG A 150 5.864 -13.149 -6.856 1.00 0.94 H new ATOM 0 HH11 ARG A 150 8.648 -15.273 -6.357 1.00 1.61 H new ATOM 0 HH12 ARG A 150 9.015 -15.378 -8.081 1.00 1.61 H new ATOM 0 HH21 ARG A 150 6.327 -13.313 -9.054 1.00 1.36 H new ATOM 0 HH22 ARG A 150 7.706 -14.272 -9.602 1.00 1.36 H new ATOM 432 N GLU A 151 3.352 -11.430 -3.671 1.00 0.36 N ATOM 433 CA GLU A 151 2.046 -11.635 -4.236 1.00 0.45 C ATOM 434 C GLU A 151 1.238 -10.444 -3.909 1.00 0.49 C ATOM 435 O GLU A 151 0.470 -9.960 -4.721 1.00 0.59 O ATOM 436 CB GLU A 151 1.445 -12.876 -3.643 1.00 0.57 C ATOM 437 CG GLU A 151 2.296 -14.053 -3.907 1.00 0.82 C ATOM 438 CD GLU A 151 1.948 -14.763 -5.196 1.00 1.60 C ATOM 439 OE1 GLU A 151 2.296 -14.236 -6.271 1.00 2.11 O ATOM 440 OE2 GLU A 151 1.306 -15.831 -5.132 1.00 2.16 O ATOM 0 H GLU A 151 3.412 -11.671 -2.682 1.00 0.36 H new ATOM 0 HA GLU A 151 2.088 -11.766 -5.317 1.00 0.45 H new ATOM 0 HB2 GLU A 151 1.321 -12.746 -2.568 1.00 0.57 H new ATOM 0 HB3 GLU A 151 0.452 -13.039 -4.061 1.00 0.57 H new ATOM 0 HG2 GLU A 151 3.339 -13.738 -3.943 1.00 0.82 H new ATOM 0 HG3 GLU A 151 2.203 -14.754 -3.077 1.00 0.82 H new ATOM 447 N ASN A 152 1.495 -9.943 -2.709 1.00 0.45 N ATOM 448 CA ASN A 152 0.851 -8.762 -2.175 1.00 0.50 C ATOM 449 C ASN A 152 1.093 -7.555 -3.084 1.00 0.55 C ATOM 450 O ASN A 152 0.693 -6.440 -2.802 1.00 0.88 O ATOM 451 CB ASN A 152 1.305 -8.521 -0.719 1.00 0.46 C ATOM 452 CG ASN A 152 1.915 -7.154 -0.451 1.00 0.51 C ATOM 453 OD1 ASN A 152 1.221 -6.200 -0.122 1.00 0.85 O ATOM 454 ND2 ASN A 152 3.221 -7.062 -0.579 1.00 0.67 N ATOM 0 H ASN A 152 2.172 -10.359 -2.070 1.00 0.45 H new ATOM 0 HA ASN A 152 -0.228 -8.917 -2.151 1.00 0.50 H new ATOM 0 HB2 ASN A 152 0.447 -8.654 -0.061 1.00 0.46 H new ATOM 0 HB3 ASN A 152 2.034 -9.286 -0.451 1.00 0.46 H new ATOM 0 HD21 ASN A 152 3.689 -6.173 -0.402 1.00 0.67 H new ATOM 0 HD22 ASN A 152 3.765 -7.879 -0.855 1.00 0.67 H new ATOM 461 N MET A 153 1.813 -7.781 -4.150 1.00 0.43 N ATOM 462 CA MET A 153 2.005 -6.766 -5.151 1.00 0.46 C ATOM 463 C MET A 153 1.034 -6.905 -6.349 1.00 0.51 C ATOM 464 O MET A 153 0.907 -5.995 -7.173 1.00 0.63 O ATOM 465 CB MET A 153 3.450 -6.841 -5.558 1.00 0.42 C ATOM 466 CG MET A 153 3.739 -6.805 -7.048 1.00 0.92 C ATOM 467 SD MET A 153 5.454 -7.239 -7.347 1.00 1.27 S ATOM 468 CE MET A 153 5.654 -8.384 -5.985 1.00 1.39 C ATOM 0 H MET A 153 2.280 -8.666 -4.348 1.00 0.43 H new ATOM 0 HA MET A 153 1.771 -5.782 -4.745 1.00 0.46 H new ATOM 0 HB2 MET A 153 3.980 -6.012 -5.088 1.00 0.42 H new ATOM 0 HB3 MET A 153 3.871 -7.760 -5.151 1.00 0.42 H new ATOM 0 HG2 MET A 153 3.082 -7.500 -7.572 1.00 0.92 H new ATOM 0 HG3 MET A 153 3.532 -5.811 -7.444 1.00 0.92 H new ATOM 0 HE1 MET A 153 6.497 -9.045 -6.186 1.00 1.39 H new ATOM 0 HE2 MET A 153 5.840 -7.828 -5.066 1.00 1.39 H new ATOM 0 HE3 MET A 153 4.747 -8.978 -5.873 1.00 1.39 H new ATOM 478 N TYR A 154 0.342 -8.037 -6.424 1.00 0.49 N ATOM 479 CA TYR A 154 -0.655 -8.285 -7.472 1.00 0.55 C ATOM 480 C TYR A 154 -2.062 -8.400 -6.867 1.00 0.47 C ATOM 481 O TYR A 154 -2.981 -7.667 -7.236 1.00 0.59 O ATOM 482 CB TYR A 154 -0.318 -9.577 -8.229 1.00 0.66 C ATOM 483 CG TYR A 154 0.996 -9.536 -8.979 1.00 1.18 C ATOM 484 CD1 TYR A 154 2.183 -9.911 -8.362 1.00 2.12 C ATOM 485 CD2 TYR A 154 1.047 -9.130 -10.306 1.00 1.57 C ATOM 486 CE1 TYR A 154 3.384 -9.878 -9.045 1.00 3.05 C ATOM 487 CE2 TYR A 154 2.245 -9.095 -10.995 1.00 2.39 C ATOM 488 CZ TYR A 154 3.409 -9.470 -10.360 1.00 3.08 C ATOM 489 OH TYR A 154 4.603 -9.435 -11.044 1.00 4.05 O ATOM 0 H TYR A 154 0.452 -8.808 -5.766 1.00 0.49 H new ATOM 0 HA TYR A 154 -0.636 -7.443 -8.164 1.00 0.55 H new ATOM 0 HB2 TYR A 154 -0.292 -10.404 -7.519 1.00 0.66 H new ATOM 0 HB3 TYR A 154 -1.120 -9.789 -8.936 1.00 0.66 H new ATOM 0 HD1 TYR A 154 2.167 -10.234 -7.331 1.00 2.12 H new ATOM 0 HD2 TYR A 154 0.137 -8.837 -10.808 1.00 1.57 H new ATOM 0 HE1 TYR A 154 4.298 -10.171 -8.550 1.00 3.05 H new ATOM 0 HE2 TYR A 154 2.268 -8.775 -12.026 1.00 2.39 H new ATOM 0 HH TYR A 154 4.446 -9.126 -11.961 1.00 4.05 H new ATOM 499 N ARG A 155 -2.198 -9.339 -5.933 1.00 0.37 N ATOM 500 CA ARG A 155 -3.429 -9.573 -5.175 1.00 0.36 C ATOM 501 C ARG A 155 -3.669 -8.405 -4.256 1.00 0.31 C ATOM 502 O ARG A 155 -4.775 -7.896 -4.134 1.00 0.41 O ATOM 503 CB ARG A 155 -3.224 -10.831 -4.359 1.00 0.43 C ATOM 504 CG ARG A 155 -1.841 -10.896 -3.768 1.00 0.63 C ATOM 505 CD ARG A 155 -1.601 -12.222 -3.078 1.00 0.58 C ATOM 506 NE ARG A 155 -0.758 -12.077 -1.904 1.00 0.78 N ATOM 507 CZ ARG A 155 -1.058 -12.586 -0.722 1.00 1.20 C ATOM 508 NH1 ARG A 155 -2.184 -13.253 -0.538 1.00 1.05 N ATOM 509 NH2 ARG A 155 -0.236 -12.415 0.290 1.00 1.89 N ATOM 0 H ARG A 155 -1.441 -9.972 -5.675 1.00 0.37 H new ATOM 0 HA ARG A 155 -4.287 -9.683 -5.839 1.00 0.36 H new ATOM 0 HB2 ARG A 155 -3.963 -10.869 -3.559 1.00 0.43 H new ATOM 0 HB3 ARG A 155 -3.391 -11.704 -4.990 1.00 0.43 H new ATOM 0 HG2 ARG A 155 -1.100 -10.753 -4.554 1.00 0.63 H new ATOM 0 HG3 ARG A 155 -1.709 -10.083 -3.054 1.00 0.63 H new ATOM 0 HD2 ARG A 155 -2.557 -12.658 -2.787 1.00 0.58 H new ATOM 0 HD3 ARG A 155 -1.134 -12.916 -3.777 1.00 0.58 H new ATOM 0 HE ARG A 155 0.113 -11.554 -1.997 1.00 0.78 H new ATOM 0 HH11 ARG A 155 -2.834 -13.380 -1.314 1.00 1.05 H new ATOM 0 HH12 ARG A 155 -2.403 -13.641 0.380 1.00 1.05 H new ATOM 0 HH21 ARG A 155 0.630 -11.891 0.161 1.00 1.89 H new ATOM 0 HH22 ARG A 155 -0.464 -12.806 1.204 1.00 1.89 H new ATOM 523 N TYR A 156 -2.606 -7.999 -3.613 1.00 0.27 N ATOM 524 CA TYR A 156 -2.565 -6.747 -2.923 1.00 0.28 C ATOM 525 C TYR A 156 -1.846 -5.861 -3.871 1.00 0.39 C ATOM 526 O TYR A 156 -1.150 -6.378 -4.724 1.00 0.78 O ATOM 527 CB TYR A 156 -1.826 -6.914 -1.616 1.00 0.35 C ATOM 528 CG TYR A 156 -2.524 -7.906 -0.735 1.00 0.95 C ATOM 529 CD1 TYR A 156 -3.780 -7.642 -0.231 1.00 1.51 C ATOM 530 CD2 TYR A 156 -1.899 -9.084 -0.364 1.00 1.36 C ATOM 531 CE1 TYR A 156 -4.402 -8.525 0.615 1.00 2.14 C ATOM 532 CE2 TYR A 156 -2.518 -9.979 0.477 1.00 1.99 C ATOM 533 CZ TYR A 156 -3.849 -9.773 0.808 1.00 2.31 C ATOM 534 OH TYR A 156 -4.387 -10.574 1.802 1.00 2.98 O ATOM 0 H TYR A 156 -1.740 -8.535 -3.556 1.00 0.27 H new ATOM 0 HA TYR A 156 -3.543 -6.345 -2.658 1.00 0.28 H new ATOM 0 HB2 TYR A 156 -0.806 -7.246 -1.809 1.00 0.35 H new ATOM 0 HB3 TYR A 156 -1.757 -5.953 -1.106 1.00 0.35 H new ATOM 0 HD1 TYR A 156 -4.282 -6.726 -0.506 1.00 1.51 H new ATOM 0 HD2 TYR A 156 -0.911 -9.304 -0.740 1.00 1.36 H new ATOM 0 HE1 TYR A 156 -5.313 -8.246 1.123 1.00 2.14 H new ATOM 0 HE2 TYR A 156 -1.978 -10.826 0.872 1.00 1.99 H new ATOM 0 HH TYR A 156 -5.030 -10.055 2.328 1.00 2.98 H new ATOM 544 N PRO A 157 -2.001 -4.567 -3.861 1.00 0.28 N ATOM 545 CA PRO A 157 -1.349 -3.816 -4.880 1.00 0.29 C ATOM 546 C PRO A 157 -0.066 -3.163 -4.393 1.00 0.34 C ATOM 547 O PRO A 157 0.381 -3.391 -3.268 1.00 0.66 O ATOM 548 CB PRO A 157 -2.397 -2.757 -5.148 1.00 0.31 C ATOM 549 CG PRO A 157 -2.836 -2.404 -3.760 1.00 0.32 C ATOM 550 CD PRO A 157 -2.838 -3.716 -2.994 1.00 0.33 C ATOM 0 HA PRO A 157 -1.044 -4.416 -5.737 1.00 0.29 H new ATOM 0 HB2 PRO A 157 -1.985 -1.898 -5.677 1.00 0.31 H new ATOM 0 HB3 PRO A 157 -3.220 -3.139 -5.752 1.00 0.31 H new ATOM 0 HG2 PRO A 157 -2.157 -1.683 -3.304 1.00 0.32 H new ATOM 0 HG3 PRO A 157 -3.827 -1.950 -3.764 1.00 0.32 H new ATOM 0 HD2 PRO A 157 -2.416 -3.608 -1.995 1.00 0.33 H new ATOM 0 HD3 PRO A 157 -3.844 -4.118 -2.873 1.00 0.33 H new ATOM 558 N ASN A 158 0.506 -2.315 -5.229 1.00 0.32 N ATOM 559 CA ASN A 158 1.590 -1.471 -4.797 1.00 0.31 C ATOM 560 C ASN A 158 1.169 -0.038 -5.022 1.00 0.33 C ATOM 561 O ASN A 158 1.796 0.718 -5.748 1.00 0.42 O ATOM 562 CB ASN A 158 2.893 -1.775 -5.520 1.00 0.40 C ATOM 563 CG ASN A 158 3.249 -3.241 -5.507 1.00 0.74 C ATOM 564 OD1 ASN A 158 3.796 -3.761 -6.473 1.00 1.47 O ATOM 565 ND2 ASN A 158 2.965 -3.912 -4.401 1.00 1.42 N ATOM 0 H ASN A 158 0.235 -2.197 -6.205 1.00 0.32 H new ATOM 0 HA ASN A 158 1.789 -1.657 -3.742 1.00 0.31 H new ATOM 0 HB2 ASN A 158 2.816 -1.435 -6.553 1.00 0.40 H new ATOM 0 HB3 ASN A 158 3.700 -1.207 -5.057 1.00 0.40 H new ATOM 0 HD21 ASN A 158 3.202 -4.901 -4.330 1.00 1.42 H new ATOM 0 HD22 ASN A 158 2.509 -3.439 -3.621 1.00 1.42 H new ATOM 572 N GLN A 159 0.048 0.289 -4.426 1.00 0.30 N ATOM 573 CA GLN A 159 -0.539 1.602 -4.527 1.00 0.31 C ATOM 574 C GLN A 159 -1.587 1.729 -3.451 1.00 0.28 C ATOM 575 O GLN A 159 -2.188 0.731 -3.050 1.00 0.29 O ATOM 576 CB GLN A 159 -1.176 1.818 -5.900 1.00 0.38 C ATOM 577 CG GLN A 159 -2.115 0.693 -6.309 1.00 0.44 C ATOM 578 CD GLN A 159 -2.714 0.889 -7.689 1.00 0.92 C ATOM 579 OE1 GLN A 159 -2.090 1.464 -8.578 1.00 1.63 O ATOM 580 NE2 GLN A 159 -3.932 0.409 -7.877 1.00 1.50 N ATOM 0 H GLN A 159 -0.489 -0.359 -3.849 1.00 0.30 H new ATOM 0 HA GLN A 159 0.237 2.357 -4.401 1.00 0.31 H new ATOM 0 HB2 GLN A 159 -1.727 2.758 -5.894 1.00 0.38 H new ATOM 0 HB3 GLN A 159 -0.389 1.915 -6.647 1.00 0.38 H new ATOM 0 HG2 GLN A 159 -1.572 -0.252 -6.286 1.00 0.44 H new ATOM 0 HG3 GLN A 159 -2.920 0.616 -5.578 1.00 0.44 H new ATOM 0 HE21 GLN A 159 -4.418 -0.062 -7.114 1.00 1.50 H new ATOM 0 HE22 GLN A 159 -4.385 0.510 -8.785 1.00 1.50 H new ATOM 589 N VAL A 160 -1.814 2.928 -2.986 1.00 0.30 N ATOM 590 CA VAL A 160 -2.760 3.137 -1.935 1.00 0.28 C ATOM 591 C VAL A 160 -3.795 4.111 -2.396 1.00 0.31 C ATOM 592 O VAL A 160 -3.557 4.795 -3.332 1.00 0.53 O ATOM 593 CB VAL A 160 -2.089 3.634 -0.660 1.00 0.28 C ATOM 594 CG1 VAL A 160 -1.650 2.457 0.185 1.00 0.30 C ATOM 595 CG2 VAL A 160 -0.900 4.519 -0.990 1.00 0.29 C ATOM 0 H VAL A 160 -1.353 3.774 -3.322 1.00 0.30 H new ATOM 0 HA VAL A 160 -3.230 2.183 -1.697 1.00 0.28 H new ATOM 0 HB VAL A 160 -2.809 4.227 -0.096 1.00 0.28 H new ATOM 0 HG11 VAL A 160 -1.171 2.820 1.094 1.00 0.30 H new ATOM 0 HG12 VAL A 160 -2.519 1.854 0.448 1.00 0.30 H new ATOM 0 HG13 VAL A 160 -0.943 1.848 -0.379 1.00 0.30 H new ATOM 0 HG21 VAL A 160 -0.435 4.863 -0.066 1.00 0.29 H new ATOM 0 HG22 VAL A 160 -0.174 3.951 -1.572 1.00 0.29 H new ATOM 0 HG23 VAL A 160 -1.236 5.379 -1.569 1.00 0.29 H new ATOM 605 N TYR A 161 -4.929 4.178 -1.755 1.00 0.32 N ATOM 606 CA TYR A 161 -6.020 4.993 -2.264 1.00 0.36 C ATOM 607 C TYR A 161 -6.123 6.285 -1.475 1.00 0.34 C ATOM 608 O TYR A 161 -6.254 6.270 -0.253 1.00 0.42 O ATOM 609 CB TYR A 161 -7.299 4.189 -2.195 1.00 0.49 C ATOM 610 CG TYR A 161 -7.421 3.139 -3.276 1.00 0.44 C ATOM 611 CD1 TYR A 161 -8.024 3.433 -4.491 1.00 0.65 C ATOM 612 CD2 TYR A 161 -6.952 1.847 -3.071 1.00 0.38 C ATOM 613 CE1 TYR A 161 -8.159 2.469 -5.469 1.00 0.74 C ATOM 614 CE2 TYR A 161 -7.077 0.880 -4.046 1.00 0.49 C ATOM 615 CZ TYR A 161 -7.684 1.196 -5.240 1.00 0.63 C ATOM 616 OH TYR A 161 -7.821 0.236 -6.211 1.00 0.82 O ATOM 0 H TYR A 161 -5.130 3.686 -0.885 1.00 0.32 H new ATOM 0 HA TYR A 161 -5.835 5.266 -3.303 1.00 0.36 H new ATOM 0 HB2 TYR A 161 -7.359 3.703 -1.221 1.00 0.49 H new ATOM 0 HB3 TYR A 161 -8.148 4.869 -2.265 1.00 0.49 H new ATOM 0 HD1 TYR A 161 -8.393 4.431 -4.674 1.00 0.65 H new ATOM 0 HD2 TYR A 161 -6.482 1.596 -2.132 1.00 0.38 H new ATOM 0 HE1 TYR A 161 -8.634 2.711 -6.408 1.00 0.74 H new ATOM 0 HE2 TYR A 161 -6.701 -0.118 -3.874 1.00 0.49 H new ATOM 0 HH TYR A 161 -7.434 -0.607 -5.895 1.00 0.82 H new ATOM 626 N TYR A 162 -6.063 7.402 -2.183 1.00 0.31 N ATOM 627 CA TYR A 162 -5.752 8.669 -1.554 1.00 0.27 C ATOM 628 C TYR A 162 -6.089 9.849 -2.467 1.00 0.31 C ATOM 629 O TYR A 162 -6.654 9.662 -3.485 1.00 0.55 O ATOM 630 CB TYR A 162 -4.280 8.686 -1.164 1.00 0.39 C ATOM 631 CG TYR A 162 -3.953 9.812 -0.247 1.00 0.46 C ATOM 632 CD1 TYR A 162 -4.810 10.130 0.762 1.00 0.89 C ATOM 633 CD2 TYR A 162 -2.744 10.492 -0.342 1.00 0.77 C ATOM 634 CE1 TYR A 162 -4.490 11.089 1.675 1.00 1.29 C ATOM 635 CE2 TYR A 162 -2.415 11.473 0.558 1.00 1.16 C ATOM 636 CZ TYR A 162 -3.411 12.016 1.316 1.00 1.35 C ATOM 637 OH TYR A 162 -2.957 12.737 2.494 1.00 1.82 O ATOM 0 H TYR A 162 -6.225 7.454 -3.189 1.00 0.31 H new ATOM 0 HA TYR A 162 -6.366 8.775 -0.659 1.00 0.27 H new ATOM 0 HB2 TYR A 162 -4.023 7.742 -0.683 1.00 0.39 H new ATOM 0 HB3 TYR A 162 -3.669 8.763 -2.063 1.00 0.39 H new ATOM 0 HD1 TYR A 162 -5.756 9.615 0.840 1.00 0.89 H new ATOM 0 HD2 TYR A 162 -2.055 10.244 -1.135 1.00 0.77 H new ATOM 0 HE1 TYR A 162 -5.007 11.164 2.620 1.00 1.29 H new ATOM 0 HE2 TYR A 162 -1.394 11.807 0.664 1.00 1.16 H new ATOM 0 HH TYR A 162 -2.084 12.390 2.774 1.00 1.82 H new ATOM 647 N ARG A 163 -5.914 11.052 -1.974 1.00 0.26 N ATOM 648 CA ARG A 163 -5.921 12.299 -2.774 1.00 0.32 C ATOM 649 C ARG A 163 -4.444 12.730 -2.964 1.00 0.36 C ATOM 650 O ARG A 163 -3.595 12.132 -2.350 1.00 0.41 O ATOM 651 CB ARG A 163 -6.714 13.331 -1.962 1.00 0.41 C ATOM 652 CG ARG A 163 -7.270 14.504 -2.733 1.00 0.75 C ATOM 653 CD ARG A 163 -8.168 14.065 -3.880 1.00 1.28 C ATOM 654 NE ARG A 163 -8.997 15.167 -4.369 1.00 1.93 N ATOM 655 CZ ARG A 163 -10.140 15.006 -5.034 1.00 2.58 C ATOM 656 NH1 ARG A 163 -10.578 13.791 -5.331 1.00 2.91 N ATOM 657 NH2 ARG A 163 -10.850 16.061 -5.409 1.00 3.26 N ATOM 0 H ARG A 163 -5.757 11.218 -0.980 1.00 0.26 H new ATOM 0 HA ARG A 163 -6.378 12.186 -3.757 1.00 0.32 H new ATOM 0 HB2 ARG A 163 -7.543 12.819 -1.474 1.00 0.41 H new ATOM 0 HB3 ARG A 163 -6.068 13.715 -1.173 1.00 0.41 H new ATOM 0 HG2 ARG A 163 -7.835 15.146 -2.057 1.00 0.75 H new ATOM 0 HG3 ARG A 163 -6.447 15.101 -3.126 1.00 0.75 H new ATOM 0 HD2 ARG A 163 -7.555 13.681 -4.695 1.00 1.28 H new ATOM 0 HD3 ARG A 163 -8.808 13.247 -3.549 1.00 1.28 H new ATOM 0 HE ARG A 163 -8.679 16.119 -4.189 1.00 1.93 H new ATOM 0 HH11 ARG A 163 -10.039 12.972 -5.050 1.00 2.91 H new ATOM 0 HH12 ARG A 163 -11.454 13.675 -5.840 1.00 2.91 H new ATOM 0 HH21 ARG A 163 -10.522 17.001 -5.189 1.00 3.26 H new ATOM 0 HH22 ARG A 163 -11.725 15.932 -5.918 1.00 3.26 H new ATOM 671 N PRO A 164 -4.052 13.723 -3.794 1.00 0.45 N ATOM 672 CA PRO A 164 -2.635 14.025 -3.942 1.00 0.51 C ATOM 673 C PRO A 164 -2.216 15.105 -2.961 1.00 0.51 C ATOM 674 O PRO A 164 -2.783 16.200 -2.918 1.00 0.57 O ATOM 675 CB PRO A 164 -2.523 14.535 -5.383 1.00 0.65 C ATOM 676 CG PRO A 164 -3.928 14.723 -5.878 1.00 0.80 C ATOM 677 CD PRO A 164 -4.844 14.560 -4.692 1.00 0.53 C ATOM 0 HA PRO A 164 -1.994 13.166 -3.745 1.00 0.51 H new ATOM 0 HB2 PRO A 164 -1.969 15.473 -5.421 1.00 0.65 H new ATOM 0 HB3 PRO A 164 -1.984 13.822 -6.006 1.00 0.65 H new ATOM 0 HG2 PRO A 164 -4.050 15.710 -6.325 1.00 0.80 H new ATOM 0 HG3 PRO A 164 -4.165 13.991 -6.651 1.00 0.80 H new ATOM 0 HD2 PRO A 164 -5.094 15.519 -4.238 1.00 0.53 H new ATOM 0 HD3 PRO A 164 -5.784 14.083 -4.968 1.00 0.53 H new ATOM 685 N VAL A 165 -1.228 14.766 -2.151 1.00 0.52 N ATOM 686 CA VAL A 165 -0.979 15.494 -0.928 1.00 0.50 C ATOM 687 C VAL A 165 0.378 16.165 -0.881 1.00 0.49 C ATOM 688 O VAL A 165 1.392 15.630 -1.326 1.00 0.47 O ATOM 689 CB VAL A 165 -1.096 14.565 0.290 1.00 0.50 C ATOM 690 CG1 VAL A 165 -0.074 13.455 0.197 1.00 1.31 C ATOM 691 CG2 VAL A 165 -0.939 15.332 1.596 1.00 1.15 C ATOM 0 H VAL A 165 -0.588 13.991 -2.322 1.00 0.52 H new ATOM 0 HA VAL A 165 -1.739 16.275 -0.901 1.00 0.50 H new ATOM 0 HB VAL A 165 -2.095 14.128 0.286 1.00 0.50 H new ATOM 0 HG11 VAL A 165 -0.166 12.802 1.065 1.00 1.31 H new ATOM 0 HG12 VAL A 165 -0.246 12.877 -0.711 1.00 1.31 H new ATOM 0 HG13 VAL A 165 0.928 13.884 0.170 1.00 1.31 H new ATOM 0 HG21 VAL A 165 -1.028 14.643 2.436 1.00 1.15 H new ATOM 0 HG22 VAL A 165 0.040 15.811 1.621 1.00 1.15 H new ATOM 0 HG23 VAL A 165 -1.717 16.092 1.667 1.00 1.15 H new ATOM 701 N ASP A 166 0.344 17.359 -0.337 1.00 0.62 N ATOM 702 CA ASP A 166 1.519 18.081 0.091 1.00 0.67 C ATOM 703 C ASP A 166 1.021 19.247 0.942 1.00 0.90 C ATOM 704 O ASP A 166 1.609 20.321 1.035 1.00 1.48 O ATOM 705 CB ASP A 166 2.345 18.490 -1.133 1.00 0.62 C ATOM 706 CG ASP A 166 3.437 19.498 -0.824 1.00 0.70 C ATOM 707 OD1 ASP A 166 4.363 19.160 -0.056 1.00 0.90 O ATOM 708 OD2 ASP A 166 3.364 20.634 -1.340 1.00 1.07 O ATOM 0 H ASP A 166 -0.525 17.868 -0.176 1.00 0.62 H new ATOM 0 HA ASP A 166 2.197 17.482 0.698 1.00 0.67 H new ATOM 0 HB2 ASP A 166 2.798 17.599 -1.569 1.00 0.62 H new ATOM 0 HB3 ASP A 166 1.678 18.910 -1.886 1.00 0.62 H new ATOM 713 N GLN A 167 -0.092 18.962 1.612 1.00 0.75 N ATOM 714 CA GLN A 167 -0.824 19.952 2.388 1.00 0.96 C ATOM 715 C GLN A 167 -1.544 19.298 3.568 1.00 0.87 C ATOM 716 O GLN A 167 -2.558 19.801 4.044 1.00 1.10 O ATOM 717 CB GLN A 167 -1.829 20.679 1.481 1.00 1.34 C ATOM 718 CG GLN A 167 -2.585 19.775 0.503 1.00 1.50 C ATOM 719 CD GLN A 167 -3.643 18.898 1.159 1.00 2.16 C ATOM 720 OE1 GLN A 167 -3.291 17.657 1.461 1.00 2.71 O flip ATOM 721 NE2 GLN A 167 -4.782 19.319 1.349 1.00 2.72 N flip ATOM 0 H GLN A 167 -0.512 18.032 1.630 1.00 0.75 H new ATOM 0 HA GLN A 167 -0.115 20.676 2.789 1.00 0.96 H new ATOM 0 HB2 GLN A 167 -2.554 21.197 2.109 1.00 1.34 H new ATOM 0 HB3 GLN A 167 -1.297 21.441 0.912 1.00 1.34 H new ATOM 0 HG2 GLN A 167 -3.062 20.396 -0.255 1.00 1.50 H new ATOM 0 HG3 GLN A 167 -1.868 19.137 -0.013 1.00 1.50 H new ATOM 0 HE21 GLN A 167 -5.018 20.281 1.104 1.00 2.72 H new ATOM 0 HE22 GLN A 167 -5.492 18.707 1.751 1.00 2.72 H new ATOM 730 N TYR A 168 -1.016 18.172 4.038 1.00 0.82 N ATOM 731 CA TYR A 168 -1.650 17.441 5.134 1.00 0.92 C ATOM 732 C TYR A 168 -0.744 17.433 6.364 1.00 0.95 C ATOM 733 O TYR A 168 -1.228 17.371 7.495 1.00 1.61 O ATOM 734 CB TYR A 168 -1.976 16.008 4.698 1.00 1.02 C ATOM 735 CG TYR A 168 -2.971 15.287 5.587 1.00 1.24 C ATOM 736 CD1 TYR A 168 -2.548 14.588 6.713 1.00 2.02 C ATOM 737 CD2 TYR A 168 -4.331 15.323 5.314 1.00 1.62 C ATOM 738 CE1 TYR A 168 -3.455 13.945 7.537 1.00 2.63 C ATOM 739 CE2 TYR A 168 -5.242 14.687 6.136 1.00 2.11 C ATOM 740 CZ TYR A 168 -4.794 13.927 7.194 1.00 2.50 C ATOM 741 OH TYR A 168 -5.708 13.372 8.070 1.00 3.21 O ATOM 0 H TYR A 168 -0.159 17.748 3.682 1.00 0.82 H new ATOM 0 HA TYR A 168 -2.581 17.944 5.396 1.00 0.92 H new ATOM 0 HB2 TYR A 168 -2.368 16.032 3.681 1.00 1.02 H new ATOM 0 HB3 TYR A 168 -1.051 15.432 4.669 1.00 1.02 H new ATOM 0 HD1 TYR A 168 -1.495 14.546 6.948 1.00 2.02 H new ATOM 0 HD2 TYR A 168 -4.684 15.857 4.444 1.00 1.62 H new ATOM 0 HE1 TYR A 168 -3.119 13.461 8.442 1.00 2.63 H new ATOM 0 HE2 TYR A 168 -6.301 14.785 5.950 1.00 2.11 H new ATOM 0 HH TYR A 168 -5.254 12.728 8.652 1.00 3.21 H new ATOM 751 N SER A 169 0.570 17.472 6.122 1.00 1.17 N ATOM 752 CA SER A 169 1.584 17.585 7.177 1.00 1.17 C ATOM 753 C SER A 169 1.769 16.285 7.980 1.00 1.05 C ATOM 754 O SER A 169 2.893 15.916 8.318 1.00 1.12 O ATOM 755 CB SER A 169 1.256 18.759 8.107 1.00 1.40 C ATOM 756 OG SER A 169 1.132 19.966 7.369 1.00 1.94 O ATOM 0 H SER A 169 0.963 17.426 5.182 1.00 1.17 H new ATOM 0 HA SER A 169 2.536 17.774 6.680 1.00 1.17 H new ATOM 0 HB2 SER A 169 0.328 18.557 8.642 1.00 1.40 H new ATOM 0 HB3 SER A 169 2.040 18.865 8.857 1.00 1.40 H new ATOM 0 HG SER A 169 0.921 20.703 7.980 1.00 1.94 H new ATOM 762 N ASN A 170 0.685 15.584 8.272 1.00 0.98 N ATOM 763 CA ASN A 170 0.762 14.365 9.069 1.00 0.89 C ATOM 764 C ASN A 170 0.769 13.135 8.167 1.00 0.68 C ATOM 765 O ASN A 170 -0.213 12.859 7.479 1.00 0.75 O ATOM 766 CB ASN A 170 -0.418 14.289 10.041 1.00 1.08 C ATOM 767 CG ASN A 170 -0.650 15.597 10.773 1.00 1.74 C ATOM 768 OD1 ASN A 170 -1.436 16.434 10.328 1.00 2.20 O ATOM 769 ND2 ASN A 170 0.026 15.789 11.893 1.00 2.25 N ATOM 0 H ASN A 170 -0.257 15.835 7.971 1.00 0.98 H new ATOM 0 HA ASN A 170 1.691 14.388 9.639 1.00 0.89 H new ATOM 0 HB2 ASN A 170 -1.320 14.018 9.492 1.00 1.08 H new ATOM 0 HB3 ASN A 170 -0.236 13.497 10.767 1.00 1.08 H new ATOM 0 HD21 ASN A 170 -0.095 16.654 12.420 1.00 2.25 H new ATOM 0 HD22 ASN A 170 0.668 15.072 12.230 1.00 2.25 H new ATOM 776 N GLN A 171 1.872 12.395 8.167 1.00 0.63 N ATOM 777 CA GLN A 171 1.990 11.223 7.305 1.00 0.56 C ATOM 778 C GLN A 171 1.149 10.058 7.798 1.00 0.47 C ATOM 779 O GLN A 171 0.199 9.695 7.137 1.00 0.60 O ATOM 780 CB GLN A 171 3.446 10.790 7.117 1.00 0.86 C ATOM 781 CG GLN A 171 4.350 11.121 8.282 1.00 0.71 C ATOM 782 CD GLN A 171 4.695 9.931 9.153 1.00 1.11 C ATOM 783 OE1 GLN A 171 3.989 9.785 10.261 1.00 1.63 O flip ATOM 784 NE2 GLN A 171 5.629 9.188 8.863 1.00 1.41 N flip ATOM 0 H GLN A 171 2.690 12.582 8.747 1.00 0.63 H new ATOM 0 HA GLN A 171 1.601 11.526 6.333 1.00 0.56 H new ATOM 0 HB2 GLN A 171 3.473 9.714 6.946 1.00 0.86 H new ATOM 0 HB3 GLN A 171 3.841 11.266 6.219 1.00 0.86 H new ATOM 0 HG2 GLN A 171 5.273 11.558 7.900 1.00 0.71 H new ATOM 0 HG3 GLN A 171 3.869 11.881 8.897 1.00 0.71 H new ATOM 0 HE21 GLN A 171 6.148 9.336 7.998 1.00 1.41 H new ATOM 0 HE22 GLN A 171 5.885 8.423 9.488 1.00 1.41 H new ATOM 793 N ASN A 172 1.466 9.501 8.966 1.00 0.47 N ATOM 794 CA ASN A 172 0.827 8.263 9.433 1.00 0.49 C ATOM 795 C ASN A 172 -0.697 8.384 9.440 1.00 0.42 C ATOM 796 O ASN A 172 -1.399 7.399 9.218 1.00 0.52 O ATOM 797 CB ASN A 172 1.365 7.829 10.815 1.00 0.65 C ATOM 798 CG ASN A 172 1.061 8.789 11.962 1.00 1.19 C ATOM 799 OD1 ASN A 172 -0.010 9.383 12.043 1.00 1.88 O ATOM 800 ND2 ASN A 172 2.016 8.952 12.860 1.00 1.56 N ATOM 0 H ASN A 172 2.160 9.884 9.608 1.00 0.47 H new ATOM 0 HA ASN A 172 1.089 7.479 8.722 1.00 0.49 H new ATOM 0 HB2 ASN A 172 0.947 6.852 11.059 1.00 0.65 H new ATOM 0 HB3 ASN A 172 2.445 7.704 10.744 1.00 0.65 H new ATOM 0 HD21 ASN A 172 1.873 9.585 13.647 1.00 1.56 H new ATOM 0 HD22 ASN A 172 2.896 8.445 12.767 1.00 1.56 H new ATOM 807 N SER A 173 -1.190 9.601 9.655 1.00 0.41 N ATOM 808 CA SER A 173 -2.616 9.876 9.611 1.00 0.46 C ATOM 809 C SER A 173 -3.148 9.672 8.200 1.00 0.37 C ATOM 810 O SER A 173 -3.966 8.784 7.967 1.00 0.36 O ATOM 811 CB SER A 173 -2.889 11.307 10.095 1.00 0.60 C ATOM 812 OG SER A 173 -4.264 11.646 10.009 1.00 0.74 O ATOM 0 H SER A 173 -0.614 10.416 9.863 1.00 0.41 H new ATOM 0 HA SER A 173 -3.133 9.182 10.274 1.00 0.46 H new ATOM 0 HB2 SER A 173 -2.554 11.410 11.127 1.00 0.60 H new ATOM 0 HB3 SER A 173 -2.305 12.008 9.499 1.00 0.60 H new ATOM 0 HG SER A 173 -4.395 12.563 10.328 1.00 0.74 H new ATOM 818 N PHE A 174 -2.651 10.467 7.257 1.00 0.33 N ATOM 819 CA PHE A 174 -3.087 10.359 5.872 1.00 0.32 C ATOM 820 C PHE A 174 -2.729 8.987 5.340 1.00 0.24 C ATOM 821 O PHE A 174 -3.542 8.310 4.713 1.00 0.30 O ATOM 822 CB PHE A 174 -2.462 11.491 5.018 1.00 0.40 C ATOM 823 CG PHE A 174 -1.418 11.099 3.983 1.00 0.61 C ATOM 824 CD1 PHE A 174 -1.702 10.125 3.046 1.00 1.12 C ATOM 825 CD2 PHE A 174 -0.154 11.674 3.966 1.00 0.99 C ATOM 826 CE1 PHE A 174 -0.752 9.738 2.120 1.00 1.41 C ATOM 827 CE2 PHE A 174 0.789 11.296 3.038 1.00 1.29 C ATOM 828 CZ PHE A 174 0.484 10.436 2.066 1.00 1.33 C ATOM 0 H PHE A 174 -1.950 11.188 7.427 1.00 0.33 H new ATOM 0 HA PHE A 174 -4.169 10.476 5.816 1.00 0.32 H new ATOM 0 HB2 PHE A 174 -3.271 12.007 4.500 1.00 0.40 H new ATOM 0 HB3 PHE A 174 -2.007 12.212 5.697 1.00 0.40 H new ATOM 0 HD1 PHE A 174 -2.677 9.661 3.037 1.00 1.12 H new ATOM 0 HD2 PHE A 174 0.093 12.432 4.695 1.00 0.99 H new ATOM 0 HE1 PHE A 174 -0.947 8.916 1.447 1.00 1.41 H new ATOM 0 HE2 PHE A 174 1.788 11.701 3.098 1.00 1.29 H new ATOM 0 HZ PHE A 174 1.169 10.272 1.247 1.00 1.33 H new ATOM 838 N VAL A 175 -1.500 8.603 5.612 1.00 0.20 N ATOM 839 CA VAL A 175 -0.902 7.432 5.023 1.00 0.20 C ATOM 840 C VAL A 175 -1.576 6.136 5.452 1.00 0.22 C ATOM 841 O VAL A 175 -2.243 5.493 4.650 1.00 0.25 O ATOM 842 CB VAL A 175 0.589 7.421 5.384 1.00 0.28 C ATOM 843 CG1 VAL A 175 1.169 6.037 5.305 1.00 0.33 C ATOM 844 CG2 VAL A 175 1.337 8.370 4.473 1.00 0.41 C ATOM 0 H VAL A 175 -0.885 9.102 6.255 1.00 0.20 H new ATOM 0 HA VAL A 175 -1.035 7.485 3.942 1.00 0.20 H new ATOM 0 HB VAL A 175 0.695 7.754 6.417 1.00 0.28 H new ATOM 0 HG11 VAL A 175 2.226 6.070 5.567 1.00 0.33 H new ATOM 0 HG12 VAL A 175 0.643 5.382 5.999 1.00 0.33 H new ATOM 0 HG13 VAL A 175 1.059 5.654 4.291 1.00 0.33 H new ATOM 0 HG21 VAL A 175 2.396 8.362 4.730 1.00 0.41 H new ATOM 0 HG22 VAL A 175 1.212 8.054 3.437 1.00 0.41 H new ATOM 0 HG23 VAL A 175 0.942 9.379 4.595 1.00 0.41 H new ATOM 854 N HIS A 176 -1.413 5.745 6.703 1.00 0.26 N ATOM 855 CA HIS A 176 -2.119 4.562 7.202 1.00 0.33 C ATOM 856 C HIS A 176 -3.641 4.600 6.916 1.00 0.30 C ATOM 857 O HIS A 176 -4.267 3.550 6.783 1.00 0.32 O ATOM 858 CB HIS A 176 -1.863 4.345 8.690 1.00 0.46 C ATOM 859 CG HIS A 176 -2.062 2.918 9.093 1.00 0.73 C ATOM 860 ND1 HIS A 176 -1.033 2.004 9.141 1.00 0.97 N ATOM 861 CD2 HIS A 176 -3.180 2.239 9.429 1.00 1.40 C ATOM 862 CE1 HIS A 176 -1.509 0.825 9.486 1.00 1.32 C ATOM 863 NE2 HIS A 176 -2.812 0.937 9.669 1.00 1.69 N ATOM 0 H HIS A 176 -0.814 6.212 7.384 1.00 0.26 H new ATOM 0 HA HIS A 176 -1.711 3.716 6.649 1.00 0.33 H new ATOM 0 HB2 HIS A 176 -0.845 4.651 8.931 1.00 0.46 H new ATOM 0 HB3 HIS A 176 -2.532 4.981 9.269 1.00 0.46 H new ATOM 0 HD1 HIS A 176 -0.054 2.208 8.940 1.00 0.97 H new ATOM 0 HD2 HIS A 176 -4.179 2.644 9.497 1.00 1.40 H new ATOM 0 HE1 HIS A 176 -0.931 -0.080 9.600 1.00 1.32 H new ATOM 872 N ASP A 177 -4.237 5.789 6.819 1.00 0.30 N ATOM 873 CA ASP A 177 -5.656 5.905 6.436 1.00 0.33 C ATOM 874 C ASP A 177 -5.875 5.526 4.984 1.00 0.28 C ATOM 875 O ASP A 177 -6.809 4.801 4.678 1.00 0.29 O ATOM 876 CB ASP A 177 -6.172 7.321 6.683 1.00 0.41 C ATOM 877 CG ASP A 177 -7.616 7.493 6.262 1.00 0.60 C ATOM 878 OD1 ASP A 177 -8.510 7.004 6.980 1.00 0.81 O ATOM 879 OD2 ASP A 177 -7.859 8.102 5.199 1.00 0.84 O ATOM 0 H ASP A 177 -3.771 6.679 6.997 1.00 0.30 H new ATOM 0 HA ASP A 177 -6.215 5.208 7.060 1.00 0.33 H new ATOM 0 HB2 ASP A 177 -6.075 7.560 7.742 1.00 0.41 H new ATOM 0 HB3 ASP A 177 -5.551 8.031 6.137 1.00 0.41 H new ATOM 884 N CYS A 178 -4.987 5.970 4.109 1.00 0.26 N ATOM 885 CA CYS A 178 -5.102 5.723 2.685 1.00 0.27 C ATOM 886 C CYS A 178 -5.081 4.219 2.425 1.00 0.24 C ATOM 887 O CYS A 178 -5.647 3.727 1.450 1.00 0.29 O ATOM 888 CB CYS A 178 -3.942 6.388 1.941 1.00 0.34 C ATOM 889 SG CYS A 178 -2.478 5.322 1.824 1.00 0.79 S ATOM 0 H CYS A 178 -4.164 6.513 4.370 1.00 0.26 H new ATOM 0 HA CYS A 178 -6.042 6.143 2.326 1.00 0.27 H new ATOM 0 HB2 CYS A 178 -4.269 6.660 0.937 1.00 0.34 H new ATOM 0 HB3 CYS A 178 -3.672 7.313 2.450 1.00 0.34 H new ATOM 894 N VAL A 179 -4.417 3.489 3.312 1.00 0.23 N ATOM 895 CA VAL A 179 -4.384 2.044 3.219 1.00 0.22 C ATOM 896 C VAL A 179 -5.638 1.450 3.841 1.00 0.22 C ATOM 897 O VAL A 179 -6.123 0.411 3.413 1.00 0.22 O ATOM 898 CB VAL A 179 -3.139 1.457 3.891 1.00 0.21 C ATOM 899 CG1 VAL A 179 -2.000 2.442 3.824 1.00 0.21 C ATOM 900 CG2 VAL A 179 -3.414 1.024 5.315 1.00 0.24 C ATOM 0 H VAL A 179 -3.897 3.876 4.100 1.00 0.23 H new ATOM 0 HA VAL A 179 -4.344 1.784 2.161 1.00 0.22 H new ATOM 0 HB VAL A 179 -2.853 0.559 3.343 1.00 0.21 H new ATOM 0 HG11 VAL A 179 -1.120 2.014 4.305 1.00 0.21 H new ATOM 0 HG12 VAL A 179 -1.772 2.664 2.782 1.00 0.21 H new ATOM 0 HG13 VAL A 179 -2.283 3.361 4.337 1.00 0.21 H new ATOM 0 HG21 VAL A 179 -2.504 0.614 5.753 1.00 0.24 H new ATOM 0 HG22 VAL A 179 -3.743 1.883 5.900 1.00 0.24 H new ATOM 0 HG23 VAL A 179 -4.194 0.262 5.320 1.00 0.24 H new ATOM 910 N ASN A 180 -6.184 2.138 4.834 1.00 0.25 N ATOM 911 CA ASN A 180 -7.475 1.769 5.396 1.00 0.27 C ATOM 912 C ASN A 180 -8.557 2.005 4.359 1.00 0.27 C ATOM 913 O ASN A 180 -9.744 1.842 4.627 1.00 0.30 O ATOM 914 CB ASN A 180 -7.769 2.547 6.679 1.00 0.31 C ATOM 915 CG ASN A 180 -7.084 1.933 7.887 1.00 0.77 C ATOM 916 OD1 ASN A 180 -6.865 0.721 7.936 1.00 1.41 O ATOM 917 ND2 ASN A 180 -6.749 2.753 8.870 1.00 1.30 N ATOM 0 H ASN A 180 -5.753 2.955 5.267 1.00 0.25 H new ATOM 0 HA ASN A 180 -7.454 0.712 5.661 1.00 0.27 H new ATOM 0 HB2 ASN A 180 -7.439 3.579 6.561 1.00 0.31 H new ATOM 0 HB3 ASN A 180 -8.846 2.574 6.848 1.00 0.31 H new ATOM 0 HD21 ASN A 180 -6.293 2.388 9.706 1.00 1.30 H new ATOM 0 HD22 ASN A 180 -6.947 3.751 8.792 1.00 1.30 H new ATOM 924 N ILE A 181 -8.128 2.531 3.224 1.00 0.25 N ATOM 925 CA ILE A 181 -8.906 2.534 1.997 1.00 0.29 C ATOM 926 C ILE A 181 -8.436 1.423 1.029 1.00 0.27 C ATOM 927 O ILE A 181 -9.240 0.792 0.357 1.00 0.36 O ATOM 928 CB ILE A 181 -8.766 3.886 1.302 1.00 0.35 C ATOM 929 CG1 ILE A 181 -8.340 4.947 2.284 1.00 0.49 C ATOM 930 CG2 ILE A 181 -10.068 4.314 0.703 1.00 0.40 C ATOM 931 CD1 ILE A 181 -9.459 5.455 3.173 1.00 1.14 C ATOM 0 H ILE A 181 -7.215 2.975 3.128 1.00 0.25 H new ATOM 0 HA ILE A 181 -9.947 2.349 2.262 1.00 0.29 H new ATOM 0 HB ILE A 181 -8.015 3.770 0.521 1.00 0.35 H new ATOM 0 HG12 ILE A 181 -7.545 4.546 2.913 1.00 0.49 H new ATOM 0 HG13 ILE A 181 -7.918 5.788 1.733 1.00 0.49 H new ATOM 0 HG21 ILE A 181 -9.943 5.280 0.213 1.00 0.40 H new ATOM 0 HG22 ILE A 181 -10.392 3.575 -0.030 1.00 0.40 H new ATOM 0 HG23 ILE A 181 -10.819 4.400 1.488 1.00 0.40 H new ATOM 0 HD11 ILE A 181 -9.069 6.215 3.850 1.00 1.14 H new ATOM 0 HD12 ILE A 181 -10.246 5.888 2.556 1.00 1.14 H new ATOM 0 HD13 ILE A 181 -9.867 4.627 3.753 1.00 1.14 H new ATOM 943 N THR A 182 -7.120 1.193 0.987 1.00 0.20 N ATOM 944 CA THR A 182 -6.480 0.303 0.000 1.00 0.20 C ATOM 945 C THR A 182 -6.675 -1.147 0.323 1.00 0.24 C ATOM 946 O THR A 182 -7.240 -1.915 -0.461 1.00 0.26 O ATOM 947 CB THR A 182 -4.966 0.523 -0.059 1.00 0.20 C ATOM 948 OG1 THR A 182 -4.715 1.800 -0.571 1.00 0.22 O ATOM 949 CG2 THR A 182 -4.305 -0.508 -0.960 1.00 0.26 C ATOM 0 H THR A 182 -6.461 1.619 1.638 1.00 0.20 H new ATOM 0 HA THR A 182 -6.956 0.550 -0.949 1.00 0.20 H new ATOM 0 HB THR A 182 -4.557 0.423 0.946 1.00 0.20 H new ATOM 0 HG1 THR A 182 -4.501 2.411 0.165 1.00 0.22 H new ATOM 0 HG21 THR A 182 -3.230 -0.332 -0.987 1.00 0.26 H new ATOM 0 HG22 THR A 182 -4.500 -1.508 -0.572 1.00 0.26 H new ATOM 0 HG23 THR A 182 -4.711 -0.424 -1.968 1.00 0.26 H new ATOM 957 N VAL A 183 -6.158 -1.510 1.483 1.00 0.28 N ATOM 958 CA VAL A 183 -6.138 -2.878 1.927 1.00 0.36 C ATOM 959 C VAL A 183 -7.562 -3.382 1.949 1.00 0.44 C ATOM 960 O VAL A 183 -7.825 -4.550 1.737 1.00 0.74 O ATOM 961 CB VAL A 183 -5.471 -2.978 3.319 1.00 0.34 C ATOM 962 CG1 VAL A 183 -4.403 -1.917 3.448 1.00 0.26 C ATOM 963 CG2 VAL A 183 -6.478 -2.872 4.458 1.00 0.40 C ATOM 0 H VAL A 183 -5.739 -0.854 2.142 1.00 0.28 H new ATOM 0 HA VAL A 183 -5.550 -3.497 1.249 1.00 0.36 H new ATOM 0 HB VAL A 183 -5.016 -3.965 3.398 1.00 0.34 H new ATOM 0 HG11 VAL A 183 -3.935 -1.990 4.430 1.00 0.26 H new ATOM 0 HG12 VAL A 183 -3.649 -2.064 2.675 1.00 0.26 H new ATOM 0 HG13 VAL A 183 -4.854 -0.931 3.333 1.00 0.26 H new ATOM 0 HG21 VAL A 183 -5.957 -2.948 5.412 1.00 0.40 H new ATOM 0 HG22 VAL A 183 -6.992 -1.913 4.401 1.00 0.40 H new ATOM 0 HG23 VAL A 183 -7.206 -3.679 4.376 1.00 0.40 H new ATOM 973 N LYS A 184 -8.468 -2.433 2.118 1.00 0.32 N ATOM 974 CA LYS A 184 -9.891 -2.681 2.084 1.00 0.34 C ATOM 975 C LYS A 184 -10.271 -3.369 0.803 1.00 0.35 C ATOM 976 O LYS A 184 -10.543 -4.560 0.748 1.00 0.37 O ATOM 977 CB LYS A 184 -10.611 -1.344 2.110 1.00 0.38 C ATOM 978 CG LYS A 184 -10.273 -0.534 3.317 1.00 0.43 C ATOM 979 CD LYS A 184 -10.886 -1.158 4.521 1.00 0.76 C ATOM 980 CE LYS A 184 -9.990 -1.051 5.744 1.00 0.60 C ATOM 981 NZ LYS A 184 -10.626 -1.630 6.957 1.00 1.00 N ATOM 0 H LYS A 184 -8.227 -1.456 2.285 1.00 0.32 H new ATOM 0 HA LYS A 184 -10.162 -3.305 2.936 1.00 0.34 H new ATOM 0 HB2 LYS A 184 -10.353 -0.779 1.214 1.00 0.38 H new ATOM 0 HB3 LYS A 184 -11.687 -1.514 2.081 1.00 0.38 H new ATOM 0 HG2 LYS A 184 -9.191 -0.474 3.436 1.00 0.43 H new ATOM 0 HG3 LYS A 184 -10.638 0.486 3.197 1.00 0.43 H new ATOM 0 HD2 LYS A 184 -11.842 -0.677 4.730 1.00 0.76 H new ATOM 0 HD3 LYS A 184 -11.095 -2.208 4.317 1.00 0.76 H new ATOM 0 HE2 LYS A 184 -9.049 -1.565 5.549 1.00 0.60 H new ATOM 0 HE3 LYS A 184 -9.750 -0.003 5.926 1.00 0.60 H new ATOM 0 HZ1 LYS A 184 -9.980 -1.535 7.766 1.00 1.00 H new ATOM 0 HZ2 LYS A 184 -11.512 -1.124 7.160 1.00 1.00 H new ATOM 0 HZ3 LYS A 184 -10.832 -2.636 6.794 1.00 1.00 H new ATOM 995 N GLN A 185 -10.161 -2.598 -0.238 1.00 0.38 N ATOM 996 CA GLN A 185 -10.574 -2.985 -1.557 1.00 0.49 C ATOM 997 C GLN A 185 -9.876 -4.265 -1.973 1.00 0.51 C ATOM 998 O GLN A 185 -10.418 -5.073 -2.719 1.00 0.64 O ATOM 999 CB GLN A 185 -10.215 -1.824 -2.465 1.00 0.60 C ATOM 1000 CG GLN A 185 -10.620 -0.503 -1.838 1.00 0.78 C ATOM 1001 CD GLN A 185 -12.103 -0.218 -1.969 1.00 1.38 C ATOM 1002 OE1 GLN A 185 -12.497 0.370 -3.085 1.00 1.83 O flip ATOM 1003 NE2 GLN A 185 -12.888 -0.540 -1.087 1.00 2.13 N flip ATOM 0 H GLN A 185 -9.771 -1.657 -0.193 1.00 0.38 H new ATOM 0 HA GLN A 185 -11.643 -3.192 -1.607 1.00 0.49 H new ATOM 0 HB2 GLN A 185 -9.142 -1.826 -2.658 1.00 0.60 H new ATOM 0 HB3 GLN A 185 -10.712 -1.942 -3.428 1.00 0.60 H new ATOM 0 HG2 GLN A 185 -10.348 -0.509 -0.782 1.00 0.78 H new ATOM 0 HG3 GLN A 185 -10.057 0.304 -2.307 1.00 0.78 H new ATOM 0 HE21 GLN A 185 -12.545 -0.992 -0.239 1.00 2.13 H new ATOM 0 HE22 GLN A 185 -13.885 -0.356 -1.200 1.00 2.13 H new ATOM 1012 N HIS A 186 -8.687 -4.452 -1.428 1.00 0.45 N ATOM 1013 CA HIS A 186 -7.813 -5.536 -1.815 1.00 0.54 C ATOM 1014 C HIS A 186 -7.858 -6.764 -0.889 1.00 0.69 C ATOM 1015 O HIS A 186 -7.197 -7.757 -1.165 1.00 1.31 O ATOM 1016 CB HIS A 186 -6.398 -5.009 -1.952 1.00 0.49 C ATOM 1017 CG HIS A 186 -6.094 -4.576 -3.353 1.00 0.53 C ATOM 1018 ND1 HIS A 186 -5.555 -5.415 -4.303 1.00 0.68 N ATOM 1019 CD2 HIS A 186 -6.299 -3.392 -3.976 1.00 0.54 C ATOM 1020 CE1 HIS A 186 -5.443 -4.769 -5.448 1.00 0.72 C ATOM 1021 NE2 HIS A 186 -5.887 -3.541 -5.274 1.00 0.66 N ATOM 0 H HIS A 186 -8.302 -3.850 -0.700 1.00 0.45 H new ATOM 0 HA HIS A 186 -8.181 -5.904 -2.773 1.00 0.54 H new ATOM 0 HB2 HIS A 186 -6.257 -4.167 -1.274 1.00 0.49 H new ATOM 0 HB3 HIS A 186 -5.692 -5.783 -1.650 1.00 0.49 H new ATOM 0 HD1 HIS A 186 -5.284 -6.386 -4.146 1.00 0.68 H new ATOM 0 HD2 HIS A 186 -6.710 -2.497 -3.533 1.00 0.54 H new ATOM 0 HE1 HIS A 186 -5.054 -5.177 -6.369 1.00 0.72 H new ATOM 1030 N THR A 187 -8.632 -6.712 0.181 1.00 0.38 N ATOM 1031 CA THR A 187 -8.661 -7.809 1.143 1.00 0.45 C ATOM 1032 C THR A 187 -10.069 -8.013 1.707 1.00 0.54 C ATOM 1033 O THR A 187 -10.270 -8.758 2.668 1.00 0.83 O ATOM 1034 CB THR A 187 -7.631 -7.607 2.296 1.00 0.57 C ATOM 1035 OG1 THR A 187 -7.213 -8.881 2.805 1.00 1.63 O ATOM 1036 CG2 THR A 187 -8.198 -6.783 3.449 1.00 0.88 C ATOM 0 H THR A 187 -9.246 -5.930 0.408 1.00 0.38 H new ATOM 0 HA THR A 187 -8.372 -8.710 0.602 1.00 0.45 H new ATOM 0 HB THR A 187 -6.787 -7.062 1.873 1.00 0.57 H new ATOM 0 HG1 THR A 187 -7.951 -9.293 3.301 1.00 1.63 H new ATOM 0 HG21 THR A 187 -7.440 -6.673 4.224 1.00 0.88 H new ATOM 0 HG22 THR A 187 -8.489 -5.798 3.084 1.00 0.88 H new ATOM 0 HG23 THR A 187 -9.070 -7.289 3.863 1.00 0.88 H new ATOM 1044 N VAL A 188 -11.059 -7.393 1.075 1.00 0.41 N ATOM 1045 CA VAL A 188 -12.434 -7.550 1.523 1.00 0.46 C ATOM 1046 C VAL A 188 -13.310 -8.139 0.418 1.00 0.45 C ATOM 1047 O VAL A 188 -14.505 -8.372 0.597 1.00 0.57 O ATOM 1048 CB VAL A 188 -13.025 -6.218 2.017 1.00 0.51 C ATOM 1049 CG1 VAL A 188 -12.032 -5.536 2.947 1.00 0.53 C ATOM 1050 CG2 VAL A 188 -13.402 -5.315 0.850 1.00 0.49 C ATOM 0 H VAL A 188 -10.937 -6.787 0.264 1.00 0.41 H new ATOM 0 HA VAL A 188 -12.420 -8.245 2.362 1.00 0.46 H new ATOM 0 HB VAL A 188 -13.942 -6.422 2.570 1.00 0.51 H new ATOM 0 HG11 VAL A 188 -12.450 -4.592 3.297 1.00 0.53 H new ATOM 0 HG12 VAL A 188 -11.830 -6.183 3.801 1.00 0.53 H new ATOM 0 HG13 VAL A 188 -11.103 -5.344 2.410 1.00 0.53 H new ATOM 0 HG21 VAL A 188 -13.817 -4.382 1.231 1.00 0.49 H new ATOM 0 HG22 VAL A 188 -12.515 -5.101 0.254 1.00 0.49 H new ATOM 0 HG23 VAL A 188 -14.145 -5.815 0.228 1.00 0.49 H new ATOM 1060 N THR A 189 -12.681 -8.392 -0.720 1.00 0.38 N ATOM 1061 CA THR A 189 -13.346 -8.921 -1.910 1.00 0.41 C ATOM 1062 C THR A 189 -12.277 -9.380 -2.886 1.00 0.34 C ATOM 1063 O THR A 189 -12.360 -10.451 -3.486 1.00 0.35 O ATOM 1064 CB THR A 189 -14.245 -7.867 -2.598 1.00 0.50 C ATOM 1065 OG1 THR A 189 -15.363 -7.531 -1.760 1.00 0.64 O ATOM 1066 CG2 THR A 189 -14.743 -8.378 -3.945 1.00 0.51 C ATOM 0 H THR A 189 -11.681 -8.235 -0.849 1.00 0.38 H new ATOM 0 HA THR A 189 -13.989 -9.746 -1.605 1.00 0.41 H new ATOM 0 HB THR A 189 -13.646 -6.971 -2.763 1.00 0.50 H new ATOM 0 HG1 THR A 189 -15.343 -8.084 -0.951 1.00 0.64 H new ATOM 0 HG21 THR A 189 -15.373 -7.621 -4.411 1.00 0.51 H new ATOM 0 HG22 THR A 189 -13.891 -8.589 -4.592 1.00 0.51 H new ATOM 0 HG23 THR A 189 -15.321 -9.290 -3.797 1.00 0.51 H new ATOM 1074 N THR A 190 -11.263 -8.542 -3.018 1.00 0.32 N ATOM 1075 CA THR A 190 -10.069 -8.865 -3.771 1.00 0.34 C ATOM 1076 C THR A 190 -9.366 -10.088 -3.188 1.00 0.34 C ATOM 1077 O THR A 190 -8.602 -10.762 -3.869 1.00 0.42 O ATOM 1078 CB THR A 190 -9.147 -7.648 -3.783 1.00 0.39 C ATOM 1079 OG1 THR A 190 -9.727 -6.624 -4.604 1.00 0.54 O ATOM 1080 CG2 THR A 190 -7.765 -7.987 -4.294 1.00 0.55 C ATOM 0 H THR A 190 -11.248 -7.611 -2.601 1.00 0.32 H new ATOM 0 HA THR A 190 -10.344 -9.116 -4.796 1.00 0.34 H new ATOM 0 HB THR A 190 -9.040 -7.298 -2.756 1.00 0.39 H new ATOM 0 HG1 THR A 190 -10.299 -6.049 -4.054 1.00 0.54 H new ATOM 0 HG21 THR A 190 -7.144 -7.091 -4.285 1.00 0.55 H new ATOM 0 HG22 THR A 190 -7.316 -8.746 -3.653 1.00 0.55 H new ATOM 0 HG23 THR A 190 -7.837 -8.368 -5.313 1.00 0.55 H new ATOM 1088 N THR A 191 -9.643 -10.392 -1.935 1.00 0.34 N ATOM 1089 CA THR A 191 -9.109 -11.592 -1.347 1.00 0.47 C ATOM 1090 C THR A 191 -10.076 -12.757 -1.497 1.00 0.35 C ATOM 1091 O THR A 191 -9.673 -13.892 -1.715 1.00 0.34 O ATOM 1092 CB THR A 191 -8.784 -11.408 0.123 1.00 0.83 C ATOM 1093 OG1 THR A 191 -9.802 -10.618 0.733 1.00 1.66 O ATOM 1094 CG2 THR A 191 -7.420 -10.765 0.279 1.00 1.23 C ATOM 0 H THR A 191 -10.227 -9.830 -1.316 1.00 0.34 H new ATOM 0 HA THR A 191 -8.187 -11.813 -1.885 1.00 0.47 H new ATOM 0 HB THR A 191 -8.752 -12.378 0.619 1.00 0.83 H new ATOM 0 HG1 THR A 191 -10.126 -11.069 1.541 1.00 1.66 H new ATOM 0 HG21 THR A 191 -7.197 -10.638 1.338 1.00 1.23 H new ATOM 0 HG22 THR A 191 -6.663 -11.403 -0.177 1.00 1.23 H new ATOM 0 HG23 THR A 191 -7.418 -9.792 -0.212 1.00 1.23 H new ATOM 1102 N THR A 192 -11.366 -12.477 -1.409 1.00 0.46 N ATOM 1103 CA THR A 192 -12.357 -13.537 -1.451 1.00 0.60 C ATOM 1104 C THR A 192 -12.620 -14.013 -2.875 1.00 0.59 C ATOM 1105 O THR A 192 -13.558 -14.771 -3.119 1.00 0.73 O ATOM 1106 CB THR A 192 -13.683 -13.108 -0.804 1.00 0.76 C ATOM 1107 OG1 THR A 192 -14.175 -11.912 -1.421 1.00 0.69 O ATOM 1108 CG2 THR A 192 -13.506 -12.877 0.689 1.00 0.90 C ATOM 0 H THR A 192 -11.747 -11.536 -1.309 1.00 0.46 H new ATOM 0 HA THR A 192 -11.939 -14.364 -0.877 1.00 0.60 H new ATOM 0 HB THR A 192 -14.405 -13.911 -0.951 1.00 0.76 H new ATOM 0 HG1 THR A 192 -14.781 -11.451 -0.804 1.00 0.69 H new ATOM 0 HG21 THR A 192 -14.458 -12.574 1.126 1.00 0.90 H new ATOM 0 HG22 THR A 192 -13.167 -13.798 1.162 1.00 0.90 H new ATOM 0 HG23 THR A 192 -12.767 -12.093 0.851 1.00 0.90 H new ATOM 1116 N LYS A 193 -11.774 -13.597 -3.814 1.00 0.51 N ATOM 1117 CA LYS A 193 -11.913 -14.046 -5.187 1.00 0.58 C ATOM 1118 C LYS A 193 -11.171 -15.356 -5.411 1.00 0.69 C ATOM 1119 O LYS A 193 -10.742 -15.673 -6.522 1.00 0.82 O ATOM 1120 CB LYS A 193 -11.492 -12.956 -6.192 1.00 0.53 C ATOM 1121 CG LYS A 193 -10.154 -12.281 -5.920 1.00 0.45 C ATOM 1122 CD LYS A 193 -8.974 -13.193 -6.184 1.00 0.53 C ATOM 1123 CE LYS A 193 -7.673 -12.415 -6.183 1.00 0.57 C ATOM 1124 NZ LYS A 193 -7.541 -11.553 -7.387 1.00 1.12 N ATOM 0 H LYS A 193 -10.996 -12.958 -3.648 1.00 0.51 H new ATOM 0 HA LYS A 193 -12.970 -14.239 -5.368 1.00 0.58 H new ATOM 0 HB2 LYS A 193 -11.457 -13.400 -7.187 1.00 0.53 H new ATOM 0 HB3 LYS A 193 -12.266 -12.189 -6.212 1.00 0.53 H new ATOM 0 HG2 LYS A 193 -10.067 -11.392 -6.544 1.00 0.45 H new ATOM 0 HG3 LYS A 193 -10.125 -11.947 -4.883 1.00 0.45 H new ATOM 0 HD2 LYS A 193 -8.936 -13.973 -5.423 1.00 0.53 H new ATOM 0 HD3 LYS A 193 -9.103 -13.691 -7.145 1.00 0.53 H new ATOM 0 HE2 LYS A 193 -7.620 -11.797 -5.287 1.00 0.57 H new ATOM 0 HE3 LYS A 193 -6.834 -13.110 -6.141 1.00 0.57 H new ATOM 0 HZ1 LYS A 193 -6.551 -11.253 -7.492 1.00 1.12 H new ATOM 0 HZ2 LYS A 193 -7.832 -12.088 -8.230 1.00 1.12 H new ATOM 0 HZ3 LYS A 193 -8.148 -10.715 -7.282 1.00 1.12 H new ATOM 1138 N GLY A 194 -11.084 -16.133 -4.346 1.00 0.70 N ATOM 1139 CA GLY A 194 -10.384 -17.392 -4.389 1.00 0.81 C ATOM 1140 C GLY A 194 -8.947 -17.220 -3.981 1.00 0.75 C ATOM 1141 O GLY A 194 -8.070 -17.985 -4.380 1.00 0.86 O ATOM 0 H GLY A 194 -11.494 -15.907 -3.439 1.00 0.70 H new ATOM 0 HA2 GLY A 194 -10.872 -18.107 -3.726 1.00 0.81 H new ATOM 0 HA3 GLY A 194 -10.433 -17.806 -5.396 1.00 0.81 H new ATOM 1145 N GLU A 195 -8.723 -16.197 -3.177 1.00 0.63 N ATOM 1146 CA GLU A 195 -7.399 -15.813 -2.746 1.00 0.60 C ATOM 1147 C GLU A 195 -7.303 -15.964 -1.226 1.00 0.59 C ATOM 1148 O GLU A 195 -8.323 -16.116 -0.548 1.00 0.63 O ATOM 1149 CB GLU A 195 -7.147 -14.371 -3.209 1.00 0.64 C ATOM 1150 CG GLU A 195 -5.769 -14.133 -3.815 1.00 0.72 C ATOM 1151 CD GLU A 195 -4.632 -14.481 -2.886 1.00 0.84 C ATOM 1152 OE1 GLU A 195 -4.327 -15.675 -2.755 1.00 1.29 O ATOM 1153 OE2 GLU A 195 -4.043 -13.558 -2.284 1.00 1.40 O ATOM 0 H GLU A 195 -9.465 -15.606 -2.803 1.00 0.63 H new ATOM 0 HA GLU A 195 -6.632 -16.452 -3.183 1.00 0.60 H new ATOM 0 HB2 GLU A 195 -7.905 -14.101 -3.945 1.00 0.64 H new ATOM 0 HB3 GLU A 195 -7.276 -13.702 -2.358 1.00 0.64 H new ATOM 0 HG2 GLU A 195 -5.676 -14.723 -4.727 1.00 0.72 H new ATOM 0 HG3 GLU A 195 -5.684 -13.085 -4.103 1.00 0.72 H new ATOM 1160 N ASN A 196 -6.094 -15.952 -0.697 1.00 0.64 N ATOM 1161 CA ASN A 196 -5.879 -16.218 0.720 1.00 0.69 C ATOM 1162 C ASN A 196 -5.404 -14.977 1.448 1.00 0.63 C ATOM 1163 O ASN A 196 -4.483 -14.300 0.998 1.00 0.80 O ATOM 1164 CB ASN A 196 -4.837 -17.323 0.910 1.00 0.91 C ATOM 1165 CG ASN A 196 -5.184 -18.603 0.175 1.00 1.07 C ATOM 1166 OD1 ASN A 196 -5.823 -19.503 0.722 1.00 1.13 O ATOM 1167 ND2 ASN A 196 -4.763 -18.690 -1.076 1.00 1.99 N ATOM 0 H ASN A 196 -5.242 -15.761 -1.225 1.00 0.64 H new ATOM 0 HA ASN A 196 -6.836 -16.534 1.135 1.00 0.69 H new ATOM 0 HB2 ASN A 196 -3.868 -16.964 0.563 1.00 0.91 H new ATOM 0 HB3 ASN A 196 -4.735 -17.538 1.974 1.00 0.91 H new ATOM 0 HD21 ASN A 196 -4.965 -19.526 -1.625 1.00 1.99 H new ATOM 0 HD22 ASN A 196 -4.236 -17.922 -1.492 1.00 1.99 H new ATOM 1174 N PHE A 197 -6.032 -14.681 2.575 1.00 0.54 N ATOM 1175 CA PHE A 197 -5.545 -13.622 3.436 1.00 0.53 C ATOM 1176 C PHE A 197 -5.595 -14.040 4.895 1.00 0.56 C ATOM 1177 O PHE A 197 -6.660 -14.251 5.478 1.00 0.68 O ATOM 1178 CB PHE A 197 -6.288 -12.302 3.219 1.00 0.52 C ATOM 1179 CG PHE A 197 -7.742 -12.319 3.564 1.00 1.12 C ATOM 1180 CD1 PHE A 197 -8.600 -13.139 2.861 1.00 1.63 C ATOM 1181 CD2 PHE A 197 -8.245 -11.530 4.581 1.00 1.49 C ATOM 1182 CE1 PHE A 197 -9.945 -13.177 3.163 1.00 2.36 C ATOM 1183 CE2 PHE A 197 -9.591 -11.559 4.892 1.00 2.19 C ATOM 1184 CZ PHE A 197 -10.433 -12.318 4.227 1.00 2.61 C ATOM 0 H PHE A 197 -6.871 -15.155 2.910 1.00 0.54 H new ATOM 0 HA PHE A 197 -4.504 -13.447 3.162 1.00 0.53 H new ATOM 0 HB2 PHE A 197 -5.800 -11.529 3.813 1.00 0.52 H new ATOM 0 HB3 PHE A 197 -6.184 -12.014 2.173 1.00 0.52 H new ATOM 0 HD1 PHE A 197 -8.214 -13.758 2.065 1.00 1.63 H new ATOM 0 HD2 PHE A 197 -7.581 -10.885 5.137 1.00 1.49 H new ATOM 0 HE1 PHE A 197 -10.617 -13.828 2.623 1.00 2.36 H new ATOM 0 HE2 PHE A 197 -9.959 -10.944 5.700 1.00 2.19 H new ATOM 0 HZ PHE A 197 -11.485 -12.303 4.471 1.00 2.61 H new ATOM 1194 N THR A 198 -4.423 -14.197 5.456 1.00 0.55 N ATOM 1195 CA THR A 198 -4.260 -14.506 6.849 1.00 0.60 C ATOM 1196 C THR A 198 -3.586 -13.326 7.531 1.00 0.52 C ATOM 1197 O THR A 198 -3.206 -12.384 6.861 1.00 0.43 O ATOM 1198 CB THR A 198 -3.451 -15.813 7.055 1.00 0.74 C ATOM 1199 OG1 THR A 198 -3.585 -16.291 8.402 1.00 1.12 O ATOM 1200 CG2 THR A 198 -1.974 -15.615 6.741 1.00 0.78 C ATOM 0 H THR A 198 -3.543 -14.112 4.947 1.00 0.55 H new ATOM 0 HA THR A 198 -5.239 -14.677 7.296 1.00 0.60 H new ATOM 0 HB THR A 198 -3.860 -16.550 6.364 1.00 0.74 H new ATOM 0 HG1 THR A 198 -3.068 -17.117 8.509 1.00 1.12 H new ATOM 0 HG21 THR A 198 -1.440 -16.552 6.897 1.00 0.78 H new ATOM 0 HG22 THR A 198 -1.862 -15.302 5.703 1.00 0.78 H new ATOM 0 HG23 THR A 198 -1.562 -14.849 7.398 1.00 0.78 H new ATOM 1208 N GLU A 199 -3.545 -13.340 8.854 1.00 0.59 N ATOM 1209 CA GLU A 199 -2.803 -12.353 9.661 1.00 0.63 C ATOM 1210 C GLU A 199 -1.495 -11.920 8.987 1.00 0.55 C ATOM 1211 O GLU A 199 -1.127 -10.737 8.993 1.00 0.53 O ATOM 1212 CB GLU A 199 -2.491 -12.950 11.032 1.00 0.82 C ATOM 1213 CG GLU A 199 -1.692 -12.031 11.937 1.00 1.14 C ATOM 1214 CD GLU A 199 -1.206 -12.739 13.178 1.00 2.11 C ATOM 1215 OE1 GLU A 199 -1.944 -12.752 14.185 1.00 2.55 O ATOM 1216 OE2 GLU A 199 -0.079 -13.274 13.159 1.00 2.91 O ATOM 0 H GLU A 199 -4.028 -14.041 9.415 1.00 0.59 H new ATOM 0 HA GLU A 199 -3.433 -11.469 9.762 1.00 0.63 H new ATOM 0 HB2 GLU A 199 -3.428 -13.206 11.527 1.00 0.82 H new ATOM 0 HB3 GLU A 199 -1.938 -13.879 10.895 1.00 0.82 H new ATOM 0 HG2 GLU A 199 -0.838 -11.635 11.388 1.00 1.14 H new ATOM 0 HG3 GLU A 199 -2.309 -11.179 12.224 1.00 1.14 H new ATOM 1223 N THR A 200 -0.800 -12.870 8.392 1.00 0.56 N ATOM 1224 CA THR A 200 0.429 -12.568 7.699 1.00 0.57 C ATOM 1225 C THR A 200 0.174 -11.751 6.429 1.00 0.44 C ATOM 1226 O THR A 200 1.010 -10.941 6.044 1.00 0.44 O ATOM 1227 CB THR A 200 1.193 -13.849 7.352 1.00 0.73 C ATOM 1228 OG1 THR A 200 1.377 -14.624 8.543 1.00 0.92 O ATOM 1229 CG2 THR A 200 2.540 -13.511 6.740 1.00 0.99 C ATOM 0 H THR A 200 -1.068 -13.854 8.377 1.00 0.56 H new ATOM 0 HA THR A 200 1.038 -11.967 8.374 1.00 0.57 H new ATOM 0 HB THR A 200 0.619 -14.424 6.626 1.00 0.73 H new ATOM 0 HG1 THR A 200 1.864 -15.446 8.326 1.00 0.92 H new ATOM 0 HG21 THR A 200 3.071 -14.432 6.499 1.00 0.99 H new ATOM 0 HG22 THR A 200 2.391 -12.929 5.830 1.00 0.99 H new ATOM 0 HG23 THR A 200 3.127 -12.929 7.451 1.00 0.99 H new ATOM 1237 N ASP A 201 -0.986 -11.938 5.798 1.00 0.41 N ATOM 1238 CA ASP A 201 -1.313 -11.192 4.586 1.00 0.36 C ATOM 1239 C ASP A 201 -1.635 -9.769 4.896 1.00 0.31 C ATOM 1240 O ASP A 201 -1.434 -8.873 4.081 1.00 0.34 O ATOM 1241 CB ASP A 201 -2.467 -11.777 3.795 1.00 0.45 C ATOM 1242 CG ASP A 201 -2.151 -13.162 3.272 1.00 0.92 C ATOM 1243 OD1 ASP A 201 -2.362 -14.133 4.000 1.00 1.27 O ATOM 1244 OD2 ASP A 201 -1.706 -13.280 2.113 1.00 1.49 O ATOM 0 H ASP A 201 -1.707 -12.592 6.103 1.00 0.41 H new ATOM 0 HA ASP A 201 -0.416 -11.260 3.971 1.00 0.36 H new ATOM 0 HB2 ASP A 201 -3.354 -11.822 4.427 1.00 0.45 H new ATOM 0 HB3 ASP A 201 -2.704 -11.119 2.959 1.00 0.45 H new ATOM 1249 N ILE A 202 -2.145 -9.576 6.070 1.00 0.30 N ATOM 1250 CA ILE A 202 -2.481 -8.264 6.546 1.00 0.32 C ATOM 1251 C ILE A 202 -1.232 -7.436 6.607 1.00 0.31 C ATOM 1252 O ILE A 202 -1.109 -6.410 5.955 1.00 0.34 O ATOM 1253 CB ILE A 202 -3.056 -8.361 7.949 1.00 0.41 C ATOM 1254 CG1 ILE A 202 -3.711 -9.708 8.099 1.00 0.48 C ATOM 1255 CG2 ILE A 202 -4.030 -7.240 8.230 1.00 0.54 C ATOM 1256 CD1 ILE A 202 -4.961 -9.909 7.245 1.00 0.53 C ATOM 0 H ILE A 202 -2.343 -10.326 6.733 1.00 0.30 H new ATOM 0 HA ILE A 202 -3.211 -7.812 5.875 1.00 0.32 H new ATOM 0 HB ILE A 202 -2.253 -8.259 8.679 1.00 0.41 H new ATOM 0 HG12 ILE A 202 -2.985 -10.480 7.844 1.00 0.48 H new ATOM 0 HG13 ILE A 202 -3.976 -9.853 9.146 1.00 0.48 H new ATOM 0 HG21 ILE A 202 -4.420 -7.343 9.242 1.00 0.54 H new ATOM 0 HG22 ILE A 202 -3.520 -6.282 8.133 1.00 0.54 H new ATOM 0 HG23 ILE A 202 -4.853 -7.286 7.517 1.00 0.54 H new ATOM 0 HD11 ILE A 202 -5.364 -10.907 7.419 1.00 0.53 H new ATOM 0 HD12 ILE A 202 -5.709 -9.164 7.514 1.00 0.53 H new ATOM 0 HD13 ILE A 202 -4.703 -9.800 6.192 1.00 0.53 H new ATOM 1268 N LYS A 203 -0.274 -7.951 7.339 1.00 0.32 N ATOM 1269 CA LYS A 203 0.919 -7.210 7.634 1.00 0.35 C ATOM 1270 C LYS A 203 1.715 -6.929 6.382 1.00 0.30 C ATOM 1271 O LYS A 203 1.949 -5.781 6.091 1.00 0.31 O ATOM 1272 CB LYS A 203 1.738 -7.951 8.678 1.00 0.44 C ATOM 1273 CG LYS A 203 2.022 -9.391 8.329 1.00 0.49 C ATOM 1274 CD LYS A 203 3.487 -9.742 8.517 1.00 0.61 C ATOM 1275 CE LYS A 203 4.376 -9.007 7.523 1.00 0.77 C ATOM 1276 NZ LYS A 203 5.814 -9.292 7.770 1.00 1.14 N ATOM 0 H LYS A 203 -0.302 -8.888 7.742 1.00 0.32 H new ATOM 0 HA LYS A 203 0.641 -6.240 8.046 1.00 0.35 H new ATOM 0 HB2 LYS A 203 2.684 -7.429 8.820 1.00 0.44 H new ATOM 0 HB3 LYS A 203 1.209 -7.917 9.631 1.00 0.44 H new ATOM 0 HG2 LYS A 203 1.410 -10.043 8.952 1.00 0.49 H new ATOM 0 HG3 LYS A 203 1.734 -9.577 7.294 1.00 0.49 H new ATOM 0 HD2 LYS A 203 3.793 -9.492 9.533 1.00 0.61 H new ATOM 0 HD3 LYS A 203 3.621 -10.817 8.399 1.00 0.61 H new ATOM 0 HE2 LYS A 203 4.113 -9.305 6.508 1.00 0.77 H new ATOM 0 HE3 LYS A 203 4.198 -7.934 7.597 1.00 0.77 H new ATOM 0 HZ1 LYS A 203 6.354 -9.139 6.894 1.00 1.14 H new ATOM 0 HZ2 LYS A 203 6.171 -8.657 8.512 1.00 1.14 H new ATOM 0 HZ3 LYS A 203 5.924 -10.280 8.077 1.00 1.14 H new ATOM 1290 N ILE A 204 2.094 -7.952 5.624 1.00 0.29 N ATOM 1291 CA ILE A 204 2.814 -7.743 4.377 1.00 0.28 C ATOM 1292 C ILE A 204 2.151 -6.674 3.537 1.00 0.24 C ATOM 1293 O ILE A 204 2.801 -5.788 3.028 1.00 0.27 O ATOM 1294 CB ILE A 204 2.811 -9.012 3.550 1.00 0.28 C ATOM 1295 CG1 ILE A 204 1.393 -9.528 3.574 1.00 0.26 C ATOM 1296 CG2 ILE A 204 3.811 -10.023 4.083 1.00 0.38 C ATOM 1297 CD1 ILE A 204 1.119 -10.708 2.703 1.00 0.28 C ATOM 0 H ILE A 204 1.915 -8.930 5.851 1.00 0.29 H new ATOM 0 HA ILE A 204 3.828 -7.445 4.642 1.00 0.28 H new ATOM 0 HB ILE A 204 3.125 -8.821 2.524 1.00 0.28 H new ATOM 0 HG12 ILE A 204 1.139 -9.791 4.601 1.00 0.26 H new ATOM 0 HG13 ILE A 204 0.726 -8.718 3.278 1.00 0.26 H new ATOM 0 HG21 ILE A 204 3.783 -10.922 3.467 1.00 0.38 H new ATOM 0 HG22 ILE A 204 4.813 -9.594 4.054 1.00 0.38 H new ATOM 0 HG23 ILE A 204 3.556 -10.280 5.111 1.00 0.38 H new ATOM 0 HD11 ILE A 204 0.072 -10.995 2.797 1.00 0.28 H new ATOM 0 HD12 ILE A 204 1.333 -10.452 1.665 1.00 0.28 H new ATOM 0 HD13 ILE A 204 1.752 -11.541 3.009 1.00 0.28 H new ATOM 1309 N MET A 205 0.848 -6.759 3.422 1.00 0.21 N ATOM 1310 CA MET A 205 0.128 -5.913 2.522 1.00 0.23 C ATOM 1311 C MET A 205 0.000 -4.507 3.068 1.00 0.22 C ATOM 1312 O MET A 205 0.409 -3.544 2.417 1.00 0.22 O ATOM 1313 CB MET A 205 -1.235 -6.504 2.232 1.00 0.29 C ATOM 1314 CG MET A 205 -2.294 -5.454 2.019 1.00 0.29 C ATOM 1315 SD MET A 205 -3.945 -6.036 2.406 1.00 0.41 S ATOM 1316 CE MET A 205 -3.657 -6.560 4.087 1.00 0.35 C ATOM 0 H MET A 205 0.268 -7.413 3.948 1.00 0.21 H new ATOM 0 HA MET A 205 0.690 -5.851 1.590 1.00 0.23 H new ATOM 0 HB2 MET A 205 -1.171 -7.134 1.345 1.00 0.29 H new ATOM 0 HB3 MET A 205 -1.530 -7.148 3.060 1.00 0.29 H new ATOM 0 HG2 MET A 205 -2.067 -4.586 2.637 1.00 0.29 H new ATOM 0 HG3 MET A 205 -2.266 -5.122 0.981 1.00 0.29 H new ATOM 0 HE1 MET A 205 -3.732 -7.646 4.148 1.00 0.35 H new ATOM 0 HE2 MET A 205 -2.661 -6.247 4.400 1.00 0.35 H new ATOM 0 HE3 MET A 205 -4.402 -6.107 4.742 1.00 0.35 H new ATOM 1326 N GLU A 206 -0.564 -4.393 4.263 1.00 0.23 N ATOM 1327 CA GLU A 206 -0.751 -3.099 4.876 1.00 0.25 C ATOM 1328 C GLU A 206 0.587 -2.429 5.015 1.00 0.24 C ATOM 1329 O GLU A 206 0.738 -1.288 4.654 1.00 0.26 O ATOM 1330 CB GLU A 206 -1.403 -3.211 6.248 1.00 0.29 C ATOM 1331 CG GLU A 206 -2.686 -4.017 6.263 1.00 0.37 C ATOM 1332 CD GLU A 206 -3.401 -3.894 7.595 1.00 0.57 C ATOM 1333 OE1 GLU A 206 -2.883 -4.413 8.605 1.00 1.25 O ATOM 1334 OE2 GLU A 206 -4.470 -3.246 7.647 1.00 1.00 O ATOM 0 H GLU A 206 -0.896 -5.181 4.819 1.00 0.23 H new ATOM 0 HA GLU A 206 -1.413 -2.513 4.239 1.00 0.25 H new ATOM 0 HB2 GLU A 206 -0.693 -3.666 6.939 1.00 0.29 H new ATOM 0 HB3 GLU A 206 -1.613 -2.208 6.621 1.00 0.29 H new ATOM 0 HG2 GLU A 206 -3.342 -3.674 5.463 1.00 0.37 H new ATOM 0 HG3 GLU A 206 -2.462 -5.065 6.064 1.00 0.37 H new ATOM 1341 N ARG A 207 1.564 -3.179 5.485 1.00 0.24 N ATOM 1342 CA ARG A 207 2.896 -2.655 5.732 1.00 0.25 C ATOM 1343 C ARG A 207 3.469 -1.989 4.479 1.00 0.26 C ATOM 1344 O ARG A 207 3.956 -0.864 4.543 1.00 0.35 O ATOM 1345 CB ARG A 207 3.810 -3.787 6.206 1.00 0.25 C ATOM 1346 CG ARG A 207 4.486 -4.538 5.081 1.00 0.25 C ATOM 1347 CD ARG A 207 5.206 -5.744 5.593 1.00 0.32 C ATOM 1348 NE ARG A 207 6.280 -5.386 6.522 1.00 0.47 N ATOM 1349 CZ ARG A 207 6.208 -5.483 7.852 1.00 0.69 C ATOM 1350 NH1 ARG A 207 5.067 -5.806 8.450 1.00 0.87 N ATOM 1351 NH2 ARG A 207 7.271 -5.191 8.591 1.00 0.89 N ATOM 0 H ARG A 207 1.459 -4.169 5.707 1.00 0.24 H new ATOM 0 HA ARG A 207 2.833 -1.893 6.509 1.00 0.25 H new ATOM 0 HB2 ARG A 207 4.574 -3.373 6.864 1.00 0.25 H new ATOM 0 HB3 ARG A 207 3.225 -4.490 6.799 1.00 0.25 H new ATOM 0 HG2 ARG A 207 3.742 -4.841 4.344 1.00 0.25 H new ATOM 0 HG3 ARG A 207 5.190 -3.880 4.572 1.00 0.25 H new ATOM 0 HD2 ARG A 207 4.498 -6.404 6.094 1.00 0.32 H new ATOM 0 HD3 ARG A 207 5.623 -6.301 4.754 1.00 0.32 H new ATOM 0 HE ARG A 207 7.150 -5.035 6.122 1.00 0.47 H new ATOM 0 HH11 ARG A 207 4.231 -5.984 7.893 1.00 0.87 H new ATOM 0 HH12 ARG A 207 5.026 -5.877 9.467 1.00 0.87 H new ATOM 0 HH21 ARG A 207 8.138 -4.894 8.143 1.00 0.89 H new ATOM 0 HH22 ARG A 207 7.221 -5.263 9.607 1.00 0.89 H new ATOM 1365 N VAL A 208 3.387 -2.676 3.342 1.00 0.23 N ATOM 1366 CA VAL A 208 3.957 -2.173 2.115 1.00 0.23 C ATOM 1367 C VAL A 208 3.136 -1.036 1.583 1.00 0.25 C ATOM 1368 O VAL A 208 3.657 0.028 1.251 1.00 0.34 O ATOM 1369 CB VAL A 208 4.033 -3.276 1.044 1.00 0.22 C ATOM 1370 CG1 VAL A 208 4.725 -2.773 -0.184 1.00 0.28 C ATOM 1371 CG2 VAL A 208 4.749 -4.484 1.592 1.00 0.22 C ATOM 0 H VAL A 208 2.929 -3.583 3.255 1.00 0.23 H new ATOM 0 HA VAL A 208 4.965 -1.826 2.341 1.00 0.23 H new ATOM 0 HB VAL A 208 3.018 -3.563 0.771 1.00 0.22 H new ATOM 0 HG11 VAL A 208 4.768 -3.568 -0.929 1.00 0.28 H new ATOM 0 HG12 VAL A 208 4.174 -1.925 -0.590 1.00 0.28 H new ATOM 0 HG13 VAL A 208 5.737 -2.460 0.071 1.00 0.28 H new ATOM 0 HG21 VAL A 208 4.797 -5.258 0.826 1.00 0.22 H new ATOM 0 HG22 VAL A 208 5.760 -4.204 1.889 1.00 0.22 H new ATOM 0 HG23 VAL A 208 4.209 -4.865 2.459 1.00 0.22 H new ATOM 1381 N VAL A 209 1.851 -1.273 1.522 1.00 0.22 N ATOM 1382 CA VAL A 209 0.925 -0.307 1.011 1.00 0.25 C ATOM 1383 C VAL A 209 0.973 0.970 1.876 1.00 0.27 C ATOM 1384 O VAL A 209 1.026 2.085 1.362 1.00 0.32 O ATOM 1385 CB VAL A 209 -0.482 -0.955 0.925 1.00 0.31 C ATOM 1386 CG1 VAL A 209 -1.459 -0.399 1.940 1.00 1.11 C ATOM 1387 CG2 VAL A 209 -1.026 -0.849 -0.486 1.00 1.19 C ATOM 0 H VAL A 209 1.420 -2.146 1.827 1.00 0.22 H new ATOM 0 HA VAL A 209 1.194 0.003 0.001 1.00 0.25 H new ATOM 0 HB VAL A 209 -0.362 -2.008 1.178 1.00 0.31 H new ATOM 0 HG11 VAL A 209 -2.423 -0.894 1.826 1.00 1.11 H new ATOM 0 HG12 VAL A 209 -1.078 -0.574 2.946 1.00 1.11 H new ATOM 0 HG13 VAL A 209 -1.580 0.672 1.779 1.00 1.11 H new ATOM 0 HG21 VAL A 209 -2.014 -1.308 -0.531 1.00 1.19 H new ATOM 0 HG22 VAL A 209 -1.101 0.201 -0.769 1.00 1.19 H new ATOM 0 HG23 VAL A 209 -0.355 -1.364 -1.174 1.00 1.19 H new ATOM 1397 N GLU A 210 1.049 0.775 3.185 1.00 0.26 N ATOM 1398 CA GLU A 210 1.107 1.862 4.161 1.00 0.29 C ATOM 1399 C GLU A 210 2.411 2.645 4.089 1.00 0.29 C ATOM 1400 O GLU A 210 2.387 3.855 3.921 1.00 0.33 O ATOM 1401 CB GLU A 210 0.870 1.288 5.575 1.00 0.31 C ATOM 1402 CG GLU A 210 2.072 1.283 6.513 1.00 0.32 C ATOM 1403 CD GLU A 210 2.182 2.544 7.345 1.00 0.70 C ATOM 1404 OE1 GLU A 210 1.273 2.795 8.169 1.00 1.19 O ATOM 1405 OE2 GLU A 210 3.186 3.266 7.210 1.00 1.12 O ATOM 0 H GLU A 210 1.073 -0.153 3.608 1.00 0.26 H new ATOM 0 HA GLU A 210 0.319 2.576 3.922 1.00 0.29 H new ATOM 0 HB2 GLU A 210 0.071 1.860 6.047 1.00 0.31 H new ATOM 0 HB3 GLU A 210 0.512 0.264 5.473 1.00 0.31 H new ATOM 0 HG2 GLU A 210 2.003 0.422 7.177 1.00 0.32 H new ATOM 0 HG3 GLU A 210 2.983 1.161 5.926 1.00 0.32 H new ATOM 1412 N GLN A 211 3.553 1.979 4.149 1.00 0.27 N ATOM 1413 CA GLN A 211 4.786 2.706 4.359 1.00 0.31 C ATOM 1414 C GLN A 211 5.181 3.342 3.051 1.00 0.31 C ATOM 1415 O GLN A 211 6.037 4.218 2.981 1.00 0.34 O ATOM 1416 CB GLN A 211 5.898 1.782 4.860 1.00 0.34 C ATOM 1417 CG GLN A 211 6.407 0.817 3.800 1.00 0.39 C ATOM 1418 CD GLN A 211 7.468 -0.130 4.323 1.00 0.97 C ATOM 1419 OE1 GLN A 211 7.166 -1.225 4.797 1.00 1.55 O ATOM 1420 NE2 GLN A 211 8.720 0.288 4.240 1.00 1.56 N ATOM 0 H GLN A 211 3.649 0.968 4.058 1.00 0.27 H new ATOM 0 HA GLN A 211 4.634 3.469 5.123 1.00 0.31 H new ATOM 0 HB2 GLN A 211 6.730 2.388 5.218 1.00 0.34 H new ATOM 0 HB3 GLN A 211 5.529 1.212 5.713 1.00 0.34 H new ATOM 0 HG2 GLN A 211 5.570 0.237 3.412 1.00 0.39 H new ATOM 0 HG3 GLN A 211 6.815 1.386 2.965 1.00 0.39 H new ATOM 0 HE21 GLN A 211 8.927 1.203 3.840 1.00 1.56 H new ATOM 0 HE22 GLN A 211 9.479 -0.305 4.576 1.00 1.56 H new ATOM 1429 N MET A 212 4.526 2.886 2.008 1.00 0.30 N ATOM 1430 CA MET A 212 4.731 3.422 0.699 1.00 0.31 C ATOM 1431 C MET A 212 3.768 4.560 0.461 1.00 0.30 C ATOM 1432 O MET A 212 4.056 5.471 -0.295 1.00 0.33 O ATOM 1433 CB MET A 212 4.558 2.335 -0.325 1.00 0.34 C ATOM 1434 CG MET A 212 5.349 2.585 -1.578 1.00 1.17 C ATOM 1435 SD MET A 212 4.592 3.830 -2.639 1.00 1.65 S ATOM 1436 CE MET A 212 2.920 3.189 -2.674 1.00 0.37 C ATOM 0 H MET A 212 3.839 2.134 2.052 1.00 0.30 H new ATOM 0 HA MET A 212 5.745 3.812 0.612 1.00 0.31 H new ATOM 0 HB2 MET A 212 4.863 1.382 0.108 1.00 0.34 H new ATOM 0 HB3 MET A 212 3.502 2.246 -0.579 1.00 0.34 H new ATOM 0 HG2 MET A 212 6.356 2.905 -1.310 1.00 1.17 H new ATOM 0 HG3 MET A 212 5.448 1.652 -2.133 1.00 1.17 H new ATOM 0 HE1 MET A 212 2.621 3.009 -3.707 1.00 0.37 H new ATOM 0 HE2 MET A 212 2.877 2.254 -2.116 1.00 0.37 H new ATOM 0 HE3 MET A 212 2.243 3.913 -2.221 1.00 0.37 H new ATOM 1446 N CYS A 213 2.622 4.506 1.116 1.00 0.28 N ATOM 1447 CA CYS A 213 1.760 5.666 1.193 1.00 0.27 C ATOM 1448 C CYS A 213 2.548 6.766 1.886 1.00 0.25 C ATOM 1449 O CYS A 213 2.499 7.936 1.510 1.00 0.25 O ATOM 1450 CB CYS A 213 0.497 5.340 1.987 1.00 0.36 C ATOM 1451 SG CYS A 213 -0.862 6.539 1.797 1.00 0.42 S ATOM 0 H CYS A 213 2.271 3.678 1.597 1.00 0.28 H new ATOM 0 HA CYS A 213 1.450 5.981 0.196 1.00 0.27 H new ATOM 0 HB2 CYS A 213 0.139 4.356 1.684 1.00 0.36 H new ATOM 0 HB3 CYS A 213 0.757 5.273 3.043 1.00 0.36 H new ATOM 1456 N ILE A 214 3.305 6.348 2.894 1.00 0.25 N ATOM 1457 CA ILE A 214 4.217 7.220 3.612 1.00 0.27 C ATOM 1458 C ILE A 214 5.348 7.686 2.695 1.00 0.27 C ATOM 1459 O ILE A 214 5.757 8.846 2.727 1.00 0.29 O ATOM 1460 CB ILE A 214 4.784 6.494 4.857 1.00 0.30 C ATOM 1461 CG1 ILE A 214 4.089 6.975 6.129 1.00 0.33 C ATOM 1462 CG2 ILE A 214 6.268 6.720 4.972 1.00 0.31 C ATOM 1463 CD1 ILE A 214 4.544 6.262 7.384 1.00 0.36 C ATOM 0 H ILE A 214 3.301 5.387 3.236 1.00 0.25 H new ATOM 0 HA ILE A 214 3.667 8.100 3.946 1.00 0.27 H new ATOM 0 HB ILE A 214 4.596 5.427 4.737 1.00 0.30 H new ATOM 0 HG12 ILE A 214 4.266 8.044 6.246 1.00 0.33 H new ATOM 0 HG13 ILE A 214 3.013 6.841 6.016 1.00 0.33 H new ATOM 0 HG21 ILE A 214 6.648 6.202 5.853 1.00 0.31 H new ATOM 0 HG22 ILE A 214 6.765 6.334 4.082 1.00 0.31 H new ATOM 0 HG23 ILE A 214 6.467 7.788 5.065 1.00 0.31 H new ATOM 0 HD11 ILE A 214 4.005 6.659 8.244 1.00 0.36 H new ATOM 0 HD12 ILE A 214 4.341 5.195 7.290 1.00 0.36 H new ATOM 0 HD13 ILE A 214 5.614 6.417 7.523 1.00 0.36 H new ATOM 1475 N THR A 215 5.847 6.773 1.876 1.00 0.28 N ATOM 1476 CA THR A 215 6.850 7.105 0.888 1.00 0.30 C ATOM 1477 C THR A 215 6.251 8.082 -0.114 1.00 0.30 C ATOM 1478 O THR A 215 6.910 9.008 -0.583 1.00 0.34 O ATOM 1479 CB THR A 215 7.351 5.843 0.156 1.00 0.34 C ATOM 1480 OG1 THR A 215 7.829 4.873 1.105 1.00 0.37 O ATOM 1481 CG2 THR A 215 8.466 6.194 -0.818 1.00 0.39 C ATOM 0 H THR A 215 5.569 5.792 1.880 1.00 0.28 H new ATOM 0 HA THR A 215 7.703 7.559 1.392 1.00 0.30 H new ATOM 0 HB THR A 215 6.515 5.420 -0.402 1.00 0.34 H new ATOM 0 HG1 THR A 215 7.163 4.753 1.814 1.00 0.37 H new ATOM 0 HG21 THR A 215 8.805 5.290 -1.324 1.00 0.39 H new ATOM 0 HG22 THR A 215 8.094 6.905 -1.556 1.00 0.39 H new ATOM 0 HG23 THR A 215 9.299 6.639 -0.273 1.00 0.39 H new ATOM 1489 N GLN A 216 4.982 7.861 -0.429 1.00 0.30 N ATOM 1490 CA GLN A 216 4.232 8.777 -1.264 1.00 0.32 C ATOM 1491 C GLN A 216 4.132 10.167 -0.635 1.00 0.30 C ATOM 1492 O GLN A 216 4.155 11.150 -1.343 1.00 0.45 O ATOM 1493 CB GLN A 216 2.837 8.221 -1.561 1.00 0.44 C ATOM 1494 CG GLN A 216 1.952 9.169 -2.358 1.00 1.08 C ATOM 1495 CD GLN A 216 0.710 9.587 -1.594 1.00 1.76 C ATOM 1496 OE1 GLN A 216 0.191 10.680 -1.782 1.00 2.17 O ATOM 1497 NE2 GLN A 216 0.223 8.708 -0.733 1.00 2.60 N ATOM 0 H GLN A 216 4.451 7.049 -0.114 1.00 0.30 H new ATOM 0 HA GLN A 216 4.775 8.879 -2.203 1.00 0.32 H new ATOM 0 HB2 GLN A 216 2.939 7.286 -2.111 1.00 0.44 H new ATOM 0 HB3 GLN A 216 2.343 7.984 -0.619 1.00 0.44 H new ATOM 0 HG2 GLN A 216 2.525 10.056 -2.626 1.00 1.08 H new ATOM 0 HG3 GLN A 216 1.656 8.687 -3.290 1.00 1.08 H new ATOM 0 HE21 GLN A 216 0.686 7.808 -0.606 1.00 2.60 H new ATOM 0 HE22 GLN A 216 -0.615 8.930 -0.196 1.00 2.60 H new ATOM 1506 N TYR A 217 4.008 10.242 0.683 1.00 0.27 N ATOM 1507 CA TYR A 217 4.013 11.527 1.398 1.00 0.29 C ATOM 1508 C TYR A 217 5.165 12.407 0.936 1.00 0.30 C ATOM 1509 O TYR A 217 4.952 13.535 0.502 1.00 0.31 O ATOM 1510 CB TYR A 217 4.115 11.277 2.910 1.00 0.37 C ATOM 1511 CG TYR A 217 4.180 12.531 3.765 1.00 0.56 C ATOM 1512 CD1 TYR A 217 5.374 13.217 3.928 1.00 0.80 C ATOM 1513 CD2 TYR A 217 3.047 13.033 4.389 1.00 1.06 C ATOM 1514 CE1 TYR A 217 5.444 14.363 4.691 1.00 0.95 C ATOM 1515 CE2 TYR A 217 3.104 14.182 5.154 1.00 1.26 C ATOM 1516 CZ TYR A 217 4.294 14.808 5.356 1.00 1.04 C ATOM 1517 OH TYR A 217 4.359 15.985 6.069 1.00 1.26 O ATOM 0 H TYR A 217 3.902 9.428 1.288 1.00 0.27 H new ATOM 0 HA TYR A 217 3.081 12.048 1.177 1.00 0.29 H new ATOM 0 HB2 TYR A 217 3.255 10.685 3.224 1.00 0.37 H new ATOM 0 HB3 TYR A 217 5.003 10.676 3.105 1.00 0.37 H new ATOM 0 HD1 TYR A 217 6.267 12.846 3.447 1.00 0.80 H new ATOM 0 HD2 TYR A 217 2.105 12.517 4.275 1.00 1.06 H new ATOM 0 HE1 TYR A 217 6.372 14.910 4.775 1.00 0.95 H new ATOM 0 HE2 TYR A 217 2.202 14.583 5.592 1.00 1.26 H new ATOM 0 HH TYR A 217 4.032 15.834 6.980 1.00 1.26 H new ATOM 1527 N GLN A 218 6.379 11.888 1.021 1.00 0.33 N ATOM 1528 CA GLN A 218 7.557 12.656 0.639 1.00 0.42 C ATOM 1529 C GLN A 218 7.671 12.770 -0.884 1.00 0.46 C ATOM 1530 O GLN A 218 8.078 13.804 -1.410 1.00 0.58 O ATOM 1531 CB GLN A 218 8.818 12.024 1.234 1.00 0.47 C ATOM 1532 CG GLN A 218 8.978 10.556 0.898 1.00 0.63 C ATOM 1533 CD GLN A 218 10.234 9.948 1.488 1.00 1.23 C ATOM 1534 OE1 GLN A 218 10.697 10.359 2.548 1.00 1.83 O ATOM 1535 NE2 GLN A 218 10.793 8.964 0.805 1.00 1.97 N ATOM 0 H GLN A 218 6.576 10.943 1.349 1.00 0.33 H new ATOM 0 HA GLN A 218 7.452 13.664 1.039 1.00 0.42 H new ATOM 0 HB2 GLN A 218 9.691 12.568 0.874 1.00 0.47 H new ATOM 0 HB3 GLN A 218 8.795 12.140 2.318 1.00 0.47 H new ATOM 0 HG2 GLN A 218 8.109 10.008 1.264 1.00 0.63 H new ATOM 0 HG3 GLN A 218 8.997 10.437 -0.185 1.00 0.63 H new ATOM 0 HE21 GLN A 218 10.377 8.651 -0.072 1.00 1.97 H new ATOM 0 HE22 GLN A 218 11.640 8.517 1.155 1.00 1.97 H new ATOM 1544 N GLN A 219 7.283 11.710 -1.584 1.00 0.42 N ATOM 1545 CA GLN A 219 7.338 11.683 -3.039 1.00 0.53 C ATOM 1546 C GLN A 219 6.345 12.679 -3.636 1.00 0.51 C ATOM 1547 O GLN A 219 6.695 13.457 -4.515 1.00 0.58 O ATOM 1548 CB GLN A 219 7.039 10.266 -3.537 1.00 0.60 C ATOM 1549 CG GLN A 219 7.193 10.083 -5.037 1.00 0.78 C ATOM 1550 CD GLN A 219 6.929 8.651 -5.463 1.00 0.98 C ATOM 1551 OE1 GLN A 219 7.839 7.821 -5.498 1.00 1.58 O ATOM 1552 NE2 GLN A 219 5.682 8.355 -5.791 1.00 1.70 N ATOM 0 H GLN A 219 6.925 10.853 -1.163 1.00 0.42 H new ATOM 0 HA GLN A 219 8.339 11.972 -3.360 1.00 0.53 H new ATOM 0 HB2 GLN A 219 7.703 9.567 -3.028 1.00 0.60 H new ATOM 0 HB3 GLN A 219 6.020 10.002 -3.254 1.00 0.60 H new ATOM 0 HG2 GLN A 219 6.504 10.749 -5.556 1.00 0.78 H new ATOM 0 HG3 GLN A 219 8.201 10.371 -5.336 1.00 0.78 H new ATOM 0 HE21 GLN A 219 4.959 9.073 -5.748 1.00 1.70 H new ATOM 0 HE22 GLN A 219 5.443 7.409 -6.087 1.00 1.70 H new ATOM 1561 N GLU A 220 5.120 12.652 -3.129 1.00 0.45 N ATOM 1562 CA GLU A 220 4.054 13.539 -3.583 1.00 0.46 C ATOM 1563 C GLU A 220 4.297 14.962 -3.104 1.00 0.46 C ATOM 1564 O GLU A 220 3.901 15.921 -3.765 1.00 0.49 O ATOM 1565 CB GLU A 220 2.696 13.040 -3.077 1.00 0.45 C ATOM 1566 CG GLU A 220 1.843 12.388 -4.153 1.00 0.75 C ATOM 1567 CD GLU A 220 1.491 13.337 -5.282 1.00 1.21 C ATOM 1568 OE1 GLU A 220 0.698 14.278 -5.056 1.00 1.62 O ATOM 1569 OE2 GLU A 220 2.016 13.154 -6.397 1.00 1.74 O ATOM 0 H GLU A 220 4.835 12.012 -2.388 1.00 0.45 H new ATOM 0 HA GLU A 220 4.049 13.537 -4.673 1.00 0.46 H new ATOM 0 HB2 GLU A 220 2.860 12.323 -2.272 1.00 0.45 H new ATOM 0 HB3 GLU A 220 2.147 13.879 -2.650 1.00 0.45 H new ATOM 0 HG2 GLU A 220 2.375 11.528 -4.560 1.00 0.75 H new ATOM 0 HG3 GLU A 220 0.925 12.011 -3.703 1.00 0.75 H new ATOM 1576 N SER A 221 4.955 15.090 -1.959 1.00 0.46 N ATOM 1577 CA SER A 221 5.331 16.393 -1.432 1.00 0.51 C ATOM 1578 C SER A 221 6.178 17.139 -2.462 1.00 0.56 C ATOM 1579 O SER A 221 5.984 18.327 -2.718 1.00 0.63 O ATOM 1580 CB SER A 221 6.114 16.217 -0.127 1.00 0.52 C ATOM 1581 OG SER A 221 6.194 17.430 0.607 1.00 0.74 O ATOM 0 H SER A 221 5.240 14.303 -1.376 1.00 0.46 H new ATOM 0 HA SER A 221 4.432 16.975 -1.227 1.00 0.51 H new ATOM 0 HB2 SER A 221 5.634 15.453 0.485 1.00 0.52 H new ATOM 0 HB3 SER A 221 7.119 15.861 -0.351 1.00 0.52 H new ATOM 0 HG SER A 221 5.630 18.108 0.181 1.00 0.74 H new ATOM 1587 N GLN A 222 7.100 16.414 -3.076 1.00 0.57 N ATOM 1588 CA GLN A 222 7.958 16.978 -4.101 1.00 0.68 C ATOM 1589 C GLN A 222 7.315 16.832 -5.475 1.00 0.69 C ATOM 1590 O GLN A 222 7.614 17.588 -6.393 1.00 0.79 O ATOM 1591 CB GLN A 222 9.321 16.290 -4.063 1.00 0.77 C ATOM 1592 CG GLN A 222 9.682 15.575 -5.349 1.00 1.19 C ATOM 1593 CD GLN A 222 11.107 15.056 -5.361 1.00 1.31 C ATOM 1594 OE1 GLN A 222 11.670 14.717 -4.319 1.00 1.81 O ATOM 1595 NE2 GLN A 222 11.704 15.001 -6.540 1.00 1.52 N ATOM 0 H GLN A 222 7.272 15.428 -2.879 1.00 0.57 H new ATOM 0 HA GLN A 222 8.096 18.042 -3.907 1.00 0.68 H new ATOM 0 HB2 GLN A 222 10.087 17.034 -3.845 1.00 0.77 H new ATOM 0 HB3 GLN A 222 9.332 15.571 -3.243 1.00 0.77 H new ATOM 0 HG2 GLN A 222 8.997 14.741 -5.499 1.00 1.19 H new ATOM 0 HG3 GLN A 222 9.543 16.257 -6.188 1.00 1.19 H new ATOM 0 HE21 GLN A 222 11.203 15.291 -7.380 1.00 1.52 H new ATOM 0 HE22 GLN A 222 12.666 14.668 -6.610 1.00 1.52 H new ATOM 1604 N ALA A 223 6.439 15.852 -5.619 1.00 0.64 N ATOM 1605 CA ALA A 223 5.679 15.697 -6.851 1.00 0.71 C ATOM 1606 C ALA A 223 4.799 16.910 -7.066 1.00 0.71 C ATOM 1607 O ALA A 223 4.625 17.358 -8.193 1.00 0.82 O ATOM 1608 CB ALA A 223 4.853 14.424 -6.841 1.00 0.72 C ATOM 0 H ALA A 223 6.236 15.154 -4.903 1.00 0.64 H new ATOM 0 HA ALA A 223 6.383 15.617 -7.680 1.00 0.71 H new ATOM 0 HB1 ALA A 223 4.299 14.342 -7.776 1.00 0.72 H new ATOM 0 HB2 ALA A 223 5.513 13.563 -6.733 1.00 0.72 H new ATOM 0 HB3 ALA A 223 4.153 14.451 -6.006 1.00 0.72 H new ATOM 1614 N ALA A 224 4.271 17.454 -5.975 1.00 0.65 N ATOM 1615 CA ALA A 224 3.549 18.719 -6.013 1.00 0.72 C ATOM 1616 C ALA A 224 4.470 19.832 -6.495 1.00 0.82 C ATOM 1617 O ALA A 224 4.027 20.814 -7.084 1.00 0.93 O ATOM 1618 CB ALA A 224 2.993 19.050 -4.638 1.00 0.75 C ATOM 0 H ALA A 224 4.331 17.034 -5.047 1.00 0.65 H new ATOM 0 HA ALA A 224 2.716 18.628 -6.710 1.00 0.72 H new ATOM 0 HB1 ALA A 224 2.456 19.998 -4.681 1.00 0.75 H new ATOM 0 HB2 ALA A 224 2.311 18.261 -4.322 1.00 0.75 H new ATOM 0 HB3 ALA A 224 3.812 19.130 -3.924 1.00 0.75 H new ATOM 1624 N TYR A 225 5.762 19.647 -6.253 1.00 0.88 N ATOM 1625 CA TYR A 225 6.781 20.591 -6.683 1.00 1.02 C ATOM 1626 C TYR A 225 7.213 20.339 -8.123 1.00 1.13 C ATOM 1627 O TYR A 225 7.752 21.227 -8.779 1.00 1.30 O ATOM 1628 CB TYR A 225 7.982 20.537 -5.736 1.00 1.02 C ATOM 1629 CG TYR A 225 7.853 21.493 -4.575 1.00 1.29 C ATOM 1630 CD1 TYR A 225 6.981 21.233 -3.525 1.00 1.62 C ATOM 1631 CD2 TYR A 225 8.587 22.668 -4.543 1.00 2.15 C ATOM 1632 CE1 TYR A 225 6.850 22.118 -2.475 1.00 2.22 C ATOM 1633 CE2 TYR A 225 8.458 23.558 -3.499 1.00 2.88 C ATOM 1634 CZ TYR A 225 7.591 23.279 -2.467 1.00 2.75 C ATOM 1635 OH TYR A 225 7.453 24.173 -1.428 1.00 3.57 O ATOM 0 H TYR A 225 6.131 18.838 -5.753 1.00 0.88 H new ATOM 0 HA TYR A 225 6.349 21.591 -6.648 1.00 1.02 H new ATOM 0 HB2 TYR A 225 8.093 19.522 -5.355 1.00 1.02 H new ATOM 0 HB3 TYR A 225 8.889 20.769 -6.293 1.00 1.02 H new ATOM 0 HD1 TYR A 225 6.397 20.324 -3.531 1.00 1.62 H new ATOM 0 HD2 TYR A 225 9.271 22.890 -5.349 1.00 2.15 H new ATOM 0 HE1 TYR A 225 6.170 21.902 -1.664 1.00 2.22 H new ATOM 0 HE2 TYR A 225 9.035 24.471 -3.491 1.00 2.88 H new ATOM 0 HH TYR A 225 8.047 24.939 -1.574 1.00 3.57 H new ATOM 1645 N GLN A 226 6.965 19.133 -8.614 1.00 1.09 N ATOM 1646 CA GLN A 226 7.318 18.776 -9.983 1.00 1.27 C ATOM 1647 C GLN A 226 6.129 18.970 -10.922 1.00 1.36 C ATOM 1648 O GLN A 226 6.303 19.289 -12.096 1.00 1.55 O ATOM 1649 CB GLN A 226 7.825 17.336 -10.047 1.00 1.32 C ATOM 1650 CG GLN A 226 9.067 17.108 -9.202 1.00 1.60 C ATOM 1651 CD GLN A 226 9.602 15.692 -9.287 1.00 2.19 C ATOM 1652 OE1 GLN A 226 10.802 15.466 -9.146 1.00 2.87 O ATOM 1653 NE2 GLN A 226 8.721 14.730 -9.510 1.00 2.60 N ATOM 0 H GLN A 226 6.520 18.383 -8.085 1.00 1.09 H new ATOM 0 HA GLN A 226 8.118 19.439 -10.311 1.00 1.27 H new ATOM 0 HB2 GLN A 226 7.036 16.663 -9.712 1.00 1.32 H new ATOM 0 HB3 GLN A 226 8.045 17.079 -11.083 1.00 1.32 H new ATOM 0 HG2 GLN A 226 9.845 17.802 -9.519 1.00 1.60 H new ATOM 0 HG3 GLN A 226 8.837 17.340 -8.162 1.00 1.60 H new ATOM 0 HE21 GLN A 226 7.733 14.959 -9.621 1.00 2.60 H new ATOM 0 HE22 GLN A 226 9.030 13.760 -9.570 1.00 2.60 H new ATOM 1662 N ARG A 227 4.923 18.774 -10.395 1.00 1.25 N ATOM 1663 CA ARG A 227 3.703 19.033 -11.154 1.00 1.35 C ATOM 1664 C ARG A 227 3.358 20.518 -11.072 1.00 1.38 C ATOM 1665 O ARG A 227 2.407 20.984 -11.695 1.00 1.46 O ATOM 1666 CB ARG A 227 2.531 18.180 -10.631 1.00 1.32 C ATOM 1667 CG ARG A 227 2.103 18.523 -9.210 1.00 1.00 C ATOM 1668 CD ARG A 227 0.787 17.855 -8.824 1.00 1.08 C ATOM 1669 NE ARG A 227 0.954 16.456 -8.417 1.00 1.97 N ATOM 1670 CZ ARG A 227 -0.006 15.533 -8.527 1.00 2.50 C ATOM 1671 NH1 ARG A 227 -1.155 15.836 -9.120 1.00 2.39 N ATOM 1672 NH2 ARG A 227 0.181 14.310 -8.045 1.00 3.59 N ATOM 0 H ARG A 227 4.765 18.437 -9.445 1.00 1.25 H new ATOM 0 HA ARG A 227 3.875 18.758 -12.194 1.00 1.35 H new ATOM 0 HB2 ARG A 227 1.678 18.306 -11.297 1.00 1.32 H new ATOM 0 HB3 ARG A 227 2.814 17.128 -10.671 1.00 1.32 H new ATOM 0 HG2 ARG A 227 2.883 18.214 -8.514 1.00 1.00 H new ATOM 0 HG3 ARG A 227 2.001 19.604 -9.115 1.00 1.00 H new ATOM 0 HD2 ARG A 227 0.328 18.413 -8.008 1.00 1.08 H new ATOM 0 HD3 ARG A 227 0.100 17.903 -9.669 1.00 1.08 H new ATOM 0 HE ARG A 227 1.853 16.172 -8.028 1.00 1.97 H new ATOM 0 HH11 ARG A 227 -1.305 16.774 -9.492 1.00 2.39 H new ATOM 0 HH12 ARG A 227 -1.887 15.131 -9.204 1.00 2.39 H new ATOM 0 HH21 ARG A 227 1.061 14.071 -7.588 1.00 3.59 H new ATOM 0 HH22 ARG A 227 -0.555 13.610 -8.132 1.00 3.59 H new ATOM 1686 N ALA A 228 4.139 21.240 -10.278 1.00 1.34 N ATOM 1687 CA ALA A 228 3.973 22.675 -10.114 1.00 1.43 C ATOM 1688 C ALA A 228 4.383 23.411 -11.383 1.00 1.64 C ATOM 1689 CB ALA A 228 4.794 23.161 -8.925 1.00 1.40 C ATOM 0 H ALA A 228 4.904 20.846 -9.731 1.00 1.34 H new ATOM 0 HA ALA A 228 2.921 22.886 -9.925 1.00 1.43 H new ATOM 0 HB1 ALA A 228 4.664 24.237 -8.809 1.00 1.40 H new ATOM 0 HB2 ALA A 228 4.458 22.655 -8.020 1.00 1.40 H new ATOM 0 HB3 ALA A 228 5.847 22.939 -9.095 1.00 1.40 H new TER 1695 ALA A 228