USER MOD reduce.3.24.130724 H: found=0, std=0, add=599, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 582 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 175 CYS SG : rot 151:sc= 0.172 USER MOD Set 1.2: A 178 HIS : no HD1:sc= -1.27 K(o=-0.15,f=0.39) USER MOD Set 1.3: A 195 CYS SG : rot -43:sc= 0.469 USER MOD Set 1.4: A 198 CYS SG : rot 54:sc= 0.476 USER MOD Set 2.1: A 187 CYS SG : rot 139:sc= 0.67 USER MOD Set 2.2: A 204 HIS : no HE2:sc= 0.117 K(o=1.8,f=-2.8!) USER MOD Set 2.3: A 207 HIS : no HD1:sc= 1.06 K(o=1.8,f=-5.8) USER MOD Set 3.1: A 134 CYS SG : rot 36:sc= 0.371 USER MOD Set 3.2: A 137 CYS SG : rot 89:sc= 0 USER MOD Set 3.3: A 149 THR OG1 : rot -68:sc= 0.0958 USER MOD Set 3.4: A 150 HIS : no HD1:sc= -0.139 K(o=0.3,f=-5.4!) USER MOD Set 3.5: A 159 HIS : no HE2:sc= -0.0241 K(o=0.3,f=-9!) USER MOD Set 4.1: A 133 THR OG1 : rot 110:sc= 0.079 USER MOD Set 4.2: A 140 SER OG : rot 62:sc= 0.839 USER MOD Set 5.1: A 119 CYS SG : rot -159:sc= 0.121 USER MOD Set 5.2: A 122 CYS SG : rot 37:sc= 0.415 USER MOD Set 5.3: A 128 GLN : amide:sc= 0 K(o=1.3,f=0.1) USER MOD Set 5.4: A 142 CYS SG : rot -135:sc= -0.0738 USER MOD Set 5.5: A 145 CYS SG : rot -152:sc= 0.856 USER MOD Single : A 116 LYS NZ :NH3+ 134:sc= -0.0475 (180deg=-0.488) USER MOD Single : A 120 GLN : amide:sc= -0.0306 X(o=-0.031,f=-0.19) USER MOD Single : A 124 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 132 LYS NZ :NH3+ -133:sc= -0.217 (180deg=-0.546) USER MOD Single : A 136 THR OG1 : rot 180:sc= -0.101 USER MOD Single : A 141 TYR OH : rot -66:sc= 3.3 USER MOD Single : A 147 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 174 MET CE :methyl -162:sc= -0.021 (180deg=-0.247) USER MOD Single : A 182 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 184 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 185 MET CE :methyl -163:sc= 0 (180deg=-0.237) USER MOD Single : A 186 TYR OH : rot 150:sc= -0.702 USER MOD Single : A 189 THR OG1 : rot 180:sc= 0 USER MOD Single : A 192 GLN : amide:sc= -1.75 K(o=-1.7,f=-2.4!) USER MOD Single : A 199 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.0668) USER MOD Single : A 208 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 26 N LYS A 116 2.400 3.272 -4.751 1.00 3.20 N ATOM 27 CA LYS A 116 2.868 2.788 -6.044 1.00 61.42 C ATOM 28 C LYS A 116 2.036 3.375 -7.179 1.00 55.41 C ATOM 29 O LYS A 116 0.806 3.328 -7.149 1.00 73.44 O ATOM 30 CB LYS A 116 2.807 1.259 -6.092 1.00 3.14 C ATOM 31 CG LYS A 116 3.922 0.582 -5.313 1.00 71.32 C ATOM 32 CD LYS A 116 3.563 -0.851 -4.958 1.00 34.32 C ATOM 33 CE LYS A 116 3.551 -1.745 -6.189 1.00 13.42 C ATOM 34 NZ LYS A 116 4.879 -1.781 -6.861 1.00 1.32 N ATOM 0 HA LYS A 116 3.902 3.109 -6.171 1.00 61.42 H new ATOM 0 HB2 LYS A 116 1.846 0.929 -5.696 1.00 3.14 H new ATOM 0 HB3 LYS A 116 2.852 0.934 -7.132 1.00 3.14 H new ATOM 0 HG2 LYS A 116 4.838 0.593 -5.903 1.00 71.32 H new ATOM 0 HG3 LYS A 116 4.123 1.144 -4.401 1.00 71.32 H new ATOM 0 HD2 LYS A 116 4.280 -1.238 -4.233 1.00 34.32 H new ATOM 0 HD3 LYS A 116 2.583 -0.874 -4.481 1.00 34.32 H new ATOM 0 HE2 LYS A 116 3.262 -2.756 -5.901 1.00 13.42 H new ATOM 0 HE3 LYS A 116 2.798 -1.386 -6.891 1.00 13.42 H new ATOM 0 HZ1 LYS A 116 5.126 -2.765 -7.090 1.00 1.32 H new ATOM 0 HZ2 LYS A 116 4.840 -1.221 -7.737 1.00 1.32 H new ATOM 0 HZ3 LYS A 116 5.600 -1.382 -6.227 1.00 1.32 H new ATOM 48 N VAL A 117 2.714 3.929 -8.180 1.00 32.44 N ATOM 49 CA VAL A 117 2.037 4.523 -9.326 1.00 14.23 C ATOM 50 C VAL A 117 1.808 3.492 -10.425 1.00 22.21 C ATOM 51 O VAL A 117 2.695 2.698 -10.740 1.00 63.53 O ATOM 52 CB VAL A 117 2.841 5.703 -9.903 1.00 1.01 C ATOM 53 CG1 VAL A 117 4.170 5.220 -10.464 1.00 75.24 C ATOM 54 CG2 VAL A 117 2.034 6.427 -10.970 1.00 35.42 C ATOM 0 H VAL A 117 3.732 3.978 -8.220 1.00 32.44 H new ATOM 0 HA VAL A 117 1.074 4.889 -8.970 1.00 14.23 H new ATOM 0 HB VAL A 117 3.048 6.407 -9.097 1.00 1.01 H new ATOM 0 HG11 VAL A 117 4.724 6.068 -10.867 1.00 75.24 H new ATOM 0 HG12 VAL A 117 4.751 4.751 -9.670 1.00 75.24 H new ATOM 0 HG13 VAL A 117 3.988 4.495 -11.257 1.00 75.24 H new ATOM 0 HG21 VAL A 117 2.618 7.258 -11.366 1.00 35.42 H new ATOM 0 HG22 VAL A 117 1.794 5.735 -11.777 1.00 35.42 H new ATOM 0 HG23 VAL A 117 1.111 6.808 -10.532 1.00 35.42 H new ATOM 64 N LEU A 118 0.614 3.509 -11.006 1.00 13.41 N ATOM 65 CA LEU A 118 0.268 2.576 -12.072 1.00 34.41 C ATOM 66 C LEU A 118 0.587 3.169 -13.440 1.00 64.53 C ATOM 67 O LEU A 118 0.460 4.379 -13.617 1.00 15.12 O ATOM 68 CB LEU A 118 -1.216 2.211 -11.995 1.00 60.15 C ATOM 69 CG LEU A 118 -1.633 1.340 -10.810 1.00 1.02 C ATOM 70 CD1 LEU A 118 -2.939 1.841 -10.213 1.00 20.21 C ATOM 71 CD2 LEU A 118 -1.763 -0.115 -11.236 1.00 45.02 C ATOM 0 H LEU A 118 -0.131 4.159 -10.757 1.00 13.41 H new ATOM 0 HA LEU A 118 0.865 1.674 -11.940 1.00 34.41 H new ATOM 0 HB2 LEU A 118 -1.795 3.134 -11.963 1.00 60.15 H new ATOM 0 HB3 LEU A 118 -1.490 1.694 -12.914 1.00 60.15 H new ATOM 0 HG LEU A 118 -0.859 1.406 -10.046 1.00 1.02 H new ATOM 0 HD11 LEU A 118 -3.220 1.209 -9.371 1.00 20.21 H new ATOM 0 HD12 LEU A 118 -2.812 2.868 -9.870 1.00 20.21 H new ATOM 0 HD13 LEU A 118 -3.722 1.806 -10.970 1.00 20.21 H new ATOM 0 HD21 LEU A 118 -2.060 -0.720 -10.379 1.00 45.02 H new ATOM 0 HD22 LEU A 118 -2.517 -0.199 -12.019 1.00 45.02 H new ATOM 0 HD23 LEU A 118 -0.805 -0.470 -11.615 1.00 45.02 H new ATOM 83 N CYS A 119 0.990 2.313 -14.369 1.00 12.22 N ATOM 84 CA CYS A 119 1.320 2.765 -15.710 1.00 31.22 C ATOM 85 C CYS A 119 0.123 3.541 -16.264 1.00 22.34 C ATOM 86 O CYS A 119 -0.906 2.975 -16.632 1.00 43.12 O ATOM 87 CB CYS A 119 1.714 1.599 -16.618 1.00 70.45 C ATOM 88 SG CYS A 119 2.370 2.235 -18.204 1.00 72.31 S ATOM 0 H CYS A 119 1.095 1.310 -14.219 1.00 12.22 H new ATOM 0 HA CYS A 119 2.190 3.421 -15.672 1.00 31.22 H new ATOM 0 HB2 CYS A 119 2.465 0.982 -16.126 1.00 70.45 H new ATOM 0 HB3 CYS A 119 0.849 0.962 -16.802 1.00 70.45 H new ATOM 0 HG CYS A 119 2.284 1.308 -19.112 1.00 72.31 H new ATOM 93 N GLN A 120 0.283 4.859 -16.314 1.00 1.24 N ATOM 94 CA GLN A 120 -0.767 5.737 -16.816 1.00 52.10 C ATOM 95 C GLN A 120 -1.024 5.486 -18.298 1.00 70.42 C ATOM 96 O GLN A 120 -2.112 5.761 -18.806 1.00 25.52 O ATOM 97 CB GLN A 120 -0.387 7.202 -16.594 1.00 24.25 C ATOM 98 CG GLN A 120 -1.577 8.147 -16.594 1.00 75.34 C ATOM 99 CD GLN A 120 -1.526 9.149 -17.730 1.00 52.24 C ATOM 100 OE1 GLN A 120 -0.493 9.771 -17.979 1.00 2.24 O ATOM 101 NE2 GLN A 120 -2.644 9.311 -18.428 1.00 53.50 N ATOM 0 H GLN A 120 1.129 5.342 -16.013 1.00 1.24 H new ATOM 0 HA GLN A 120 -1.682 5.519 -16.265 1.00 52.10 H new ATOM 0 HB2 GLN A 120 0.138 7.292 -15.643 1.00 24.25 H new ATOM 0 HB3 GLN A 120 0.310 7.510 -17.373 1.00 24.25 H new ATOM 0 HG2 GLN A 120 -2.497 7.567 -16.667 1.00 75.34 H new ATOM 0 HG3 GLN A 120 -1.612 8.681 -15.645 1.00 75.34 H new ATOM 0 HE21 GLN A 120 -3.478 8.775 -18.187 1.00 53.50 H new ATOM 0 HE22 GLN A 120 -2.669 9.972 -19.205 1.00 53.50 H new ATOM 110 N PHE A 121 -0.016 4.962 -18.988 1.00 20.12 N ATOM 111 CA PHE A 121 -0.132 4.675 -20.413 1.00 32.42 C ATOM 112 C PHE A 121 -0.395 3.190 -20.649 1.00 4.14 C ATOM 113 O PHE A 121 0.150 2.625 -21.596 1.00 31.44 O ATOM 114 CB PHE A 121 1.141 5.102 -21.146 1.00 72.13 C ATOM 115 CG PHE A 121 1.142 6.548 -21.552 1.00 4.13 C ATOM 116 CD1 PHE A 121 0.748 7.532 -20.659 1.00 23.10 C ATOM 117 CD2 PHE A 121 1.538 6.924 -22.825 1.00 63.01 C ATOM 118 CE1 PHE A 121 0.748 8.863 -21.030 1.00 0.22 C ATOM 119 CE2 PHE A 121 1.541 8.254 -23.202 1.00 35.05 C ATOM 120 CZ PHE A 121 1.146 9.225 -22.302 1.00 72.12 C ATOM 0 H PHE A 121 0.890 4.728 -18.583 1.00 20.12 H new ATOM 0 HA PHE A 121 -0.976 5.242 -20.805 1.00 32.42 H new ATOM 0 HB2 PHE A 121 2.001 4.912 -20.504 1.00 72.13 H new ATOM 0 HB3 PHE A 121 1.264 4.483 -22.035 1.00 72.13 H new ATOM 0 HD1 PHE A 121 0.438 7.255 -19.662 1.00 23.10 H new ATOM 0 HD2 PHE A 121 1.848 6.169 -23.532 1.00 63.01 H new ATOM 0 HE1 PHE A 121 0.437 9.620 -20.325 1.00 0.22 H new ATOM 0 HE2 PHE A 121 1.851 8.533 -24.198 1.00 35.05 H new ATOM 0 HZ PHE A 121 1.148 10.265 -22.593 1.00 72.12 H new ATOM 130 N CYS A 122 -1.214 2.598 -19.791 1.00 44.54 N ATOM 131 CA CYS A 122 -1.536 1.187 -19.917 1.00 13.41 C ATOM 132 C CYS A 122 -3.031 1.061 -20.218 1.00 50.33 C ATOM 133 O CYS A 122 -3.868 1.791 -19.686 1.00 22.20 O ATOM 134 CB CYS A 122 -1.138 0.403 -18.665 1.00 74.53 C ATOM 135 SG CYS A 122 0.171 -0.809 -19.076 1.00 15.32 S ATOM 0 H CYS A 122 -1.664 3.070 -19.007 1.00 44.54 H new ATOM 0 HA CYS A 122 -0.963 0.752 -20.736 1.00 13.41 H new ATOM 0 HB2 CYS A 122 -0.783 1.088 -17.895 1.00 74.53 H new ATOM 0 HB3 CYS A 122 -2.007 -0.112 -18.257 1.00 74.53 H new ATOM 0 HG CYS A 122 0.982 -0.292 -19.951 1.00 15.32 H new ATOM 140 N ASP A 123 -3.350 0.112 -21.091 1.00 64.11 N ATOM 141 CA ASP A 123 -4.733 -0.134 -21.482 1.00 62.31 C ATOM 142 C ASP A 123 -5.074 -1.617 -21.368 1.00 12.35 C ATOM 143 O ASP A 123 -5.744 -2.177 -22.235 1.00 24.32 O ATOM 144 CB ASP A 123 -4.974 0.348 -22.913 1.00 53.32 C ATOM 145 CG ASP A 123 -6.443 0.591 -23.202 1.00 63.44 C ATOM 146 OD1 ASP A 123 -7.070 1.382 -22.467 1.00 42.24 O ATOM 147 OD2 ASP A 123 -6.965 -0.011 -24.164 1.00 45.43 O ATOM 0 H ASP A 123 -2.669 -0.500 -21.541 1.00 64.11 H new ATOM 0 HA ASP A 123 -5.381 0.423 -20.805 1.00 62.31 H new ATOM 0 HB2 ASP A 123 -4.416 1.269 -23.082 1.00 53.32 H new ATOM 0 HB3 ASP A 123 -4.586 -0.392 -23.613 1.00 53.32 H new ATOM 152 N GLN A 124 -4.609 -2.245 -20.293 1.00 4.33 N ATOM 153 CA GLN A 124 -4.864 -3.662 -20.067 1.00 25.45 C ATOM 154 C GLN A 124 -6.217 -3.872 -19.395 1.00 40.25 C ATOM 155 O GLN A 124 -7.027 -4.681 -19.848 1.00 42.14 O ATOM 156 CB GLN A 124 -3.755 -4.271 -19.206 1.00 43.31 C ATOM 157 CG GLN A 124 -2.609 -4.856 -20.015 1.00 44.02 C ATOM 158 CD GLN A 124 -1.420 -5.234 -19.154 1.00 23.10 C ATOM 159 OE1 GLN A 124 -1.511 -6.121 -18.305 1.00 65.40 O ATOM 160 NE2 GLN A 124 -0.295 -4.561 -19.369 1.00 31.25 N ATOM 0 H GLN A 124 -4.054 -1.795 -19.565 1.00 4.33 H new ATOM 0 HA GLN A 124 -4.878 -4.161 -21.036 1.00 25.45 H new ATOM 0 HB2 GLN A 124 -3.363 -3.504 -18.538 1.00 43.31 H new ATOM 0 HB3 GLN A 124 -4.182 -5.053 -18.578 1.00 43.31 H new ATOM 0 HG2 GLN A 124 -2.960 -5.738 -20.550 1.00 44.02 H new ATOM 0 HG3 GLN A 124 -2.293 -4.132 -20.766 1.00 44.02 H new ATOM 0 HE21 GLN A 124 -0.264 -3.834 -20.083 1.00 31.25 H new ATOM 0 HE22 GLN A 124 0.538 -4.772 -18.820 1.00 31.25 H new ATOM 169 N ASP A 125 -6.455 -3.138 -18.314 1.00 31.21 N ATOM 170 CA ASP A 125 -7.711 -3.243 -17.580 1.00 52.03 C ATOM 171 C ASP A 125 -7.904 -4.653 -17.032 1.00 72.40 C ATOM 172 O ASP A 125 -8.524 -5.511 -17.661 1.00 52.03 O ATOM 173 CB ASP A 125 -8.887 -2.868 -18.484 1.00 20.31 C ATOM 174 CG ASP A 125 -10.169 -2.648 -17.705 1.00 4.13 C ATOM 175 OD1 ASP A 125 -10.773 -3.647 -17.262 1.00 34.13 O ATOM 176 OD2 ASP A 125 -10.567 -1.476 -17.537 1.00 65.40 O ATOM 0 H ASP A 125 -5.795 -2.464 -17.926 1.00 31.21 H new ATOM 0 HA ASP A 125 -7.672 -2.549 -16.740 1.00 52.03 H new ATOM 0 HB2 ASP A 125 -8.641 -1.962 -19.037 1.00 20.31 H new ATOM 0 HB3 ASP A 125 -9.043 -3.658 -19.219 1.00 20.31 H new ATOM 181 N PRO A 126 -7.360 -4.901 -15.831 1.00 72.54 N ATOM 182 CA PRO A 126 -6.620 -3.889 -15.073 1.00 45.34 C ATOM 183 C PRO A 126 -5.281 -3.546 -15.718 1.00 62.21 C ATOM 184 O PRO A 126 -4.733 -4.333 -16.489 1.00 72.43 O ATOM 185 CB PRO A 126 -6.403 -4.553 -13.712 1.00 23.15 C ATOM 186 CG PRO A 126 -6.449 -6.016 -13.992 1.00 1.51 C ATOM 187 CD PRO A 126 -7.426 -6.190 -15.122 1.00 1.05 C ATOM 0 HA PRO A 126 -7.160 -2.944 -15.020 1.00 45.34 H new ATOM 0 HB2 PRO A 126 -5.446 -4.263 -13.278 1.00 23.15 H new ATOM 0 HB3 PRO A 126 -7.177 -4.261 -13.002 1.00 23.15 H new ATOM 0 HG2 PRO A 126 -5.463 -6.392 -14.267 1.00 1.51 H new ATOM 0 HG3 PRO A 126 -6.768 -6.572 -13.111 1.00 1.51 H new ATOM 0 HD2 PRO A 126 -7.147 -7.020 -15.771 1.00 1.05 H new ATOM 0 HD3 PRO A 126 -8.432 -6.396 -14.756 1.00 1.05 H new ATOM 195 N ALA A 127 -4.759 -2.367 -15.397 1.00 0.12 N ATOM 196 CA ALA A 127 -3.483 -1.922 -15.943 1.00 50.20 C ATOM 197 C ALA A 127 -2.320 -2.398 -15.079 1.00 50.40 C ATOM 198 O ALA A 127 -2.519 -2.865 -13.958 1.00 72.22 O ATOM 199 CB ALA A 127 -3.463 -0.406 -16.070 1.00 12.34 C ATOM 0 H ALA A 127 -5.200 -1.703 -14.761 1.00 0.12 H new ATOM 0 HA ALA A 127 -3.368 -2.360 -16.934 1.00 50.20 H new ATOM 0 HB1 ALA A 127 -2.504 -0.088 -16.479 1.00 12.34 H new ATOM 0 HB2 ALA A 127 -4.265 -0.086 -16.735 1.00 12.34 H new ATOM 0 HB3 ALA A 127 -3.605 0.043 -15.087 1.00 12.34 H new ATOM 205 N GLN A 128 -1.107 -2.276 -15.608 1.00 50.43 N ATOM 206 CA GLN A 128 0.087 -2.695 -14.885 1.00 24.13 C ATOM 207 C GLN A 128 0.724 -1.517 -14.155 1.00 52.21 C ATOM 208 O GLN A 128 0.250 -0.385 -14.252 1.00 52.31 O ATOM 209 CB GLN A 128 1.099 -3.321 -15.847 1.00 34.02 C ATOM 210 CG GLN A 128 1.476 -4.749 -15.488 1.00 62.20 C ATOM 211 CD GLN A 128 2.638 -5.270 -16.311 1.00 0.11 C ATOM 212 OE1 GLN A 128 3.229 -4.537 -17.105 1.00 22.33 O ATOM 213 NE2 GLN A 128 2.972 -6.542 -16.125 1.00 42.45 N ATOM 0 H GLN A 128 -0.925 -1.890 -16.535 1.00 50.43 H new ATOM 0 HA GLN A 128 -0.210 -3.439 -14.146 1.00 24.13 H new ATOM 0 HB2 GLN A 128 0.687 -3.306 -16.856 1.00 34.02 H new ATOM 0 HB3 GLN A 128 2.001 -2.709 -15.862 1.00 34.02 H new ATOM 0 HG2 GLN A 128 1.734 -4.798 -14.430 1.00 62.20 H new ATOM 0 HG3 GLN A 128 0.612 -5.397 -15.635 1.00 62.20 H new ATOM 0 HE21 GLN A 128 2.454 -7.113 -15.456 1.00 42.45 H new ATOM 0 HE22 GLN A 128 3.746 -6.948 -16.651 1.00 42.45 H new ATOM 222 N ASP A 129 1.799 -1.791 -13.425 1.00 2.41 N ATOM 223 CA ASP A 129 2.501 -0.753 -12.679 1.00 45.30 C ATOM 224 C ASP A 129 3.809 -0.378 -13.369 1.00 42.03 C ATOM 225 O ASP A 129 4.404 -1.190 -14.077 1.00 31.31 O ATOM 226 CB ASP A 129 2.781 -1.222 -11.250 1.00 54.03 C ATOM 227 CG ASP A 129 3.442 -2.585 -11.208 1.00 23.44 C ATOM 228 OD1 ASP A 129 4.403 -2.803 -11.975 1.00 70.45 O ATOM 229 OD2 ASP A 129 3.000 -3.434 -10.406 1.00 30.12 O ATOM 0 H ASP A 129 2.204 -2.723 -13.334 1.00 2.41 H new ATOM 0 HA ASP A 129 1.862 0.130 -12.645 1.00 45.30 H new ATOM 0 HB2 ASP A 129 3.422 -0.495 -10.751 1.00 54.03 H new ATOM 0 HB3 ASP A 129 1.845 -1.258 -10.692 1.00 54.03 H new ATOM 234 N ALA A 130 4.250 0.858 -13.159 1.00 24.10 N ATOM 235 CA ALA A 130 5.488 1.340 -13.760 1.00 32.10 C ATOM 236 C ALA A 130 6.699 0.916 -12.937 1.00 4.12 C ATOM 237 O ALA A 130 6.822 1.273 -11.765 1.00 20.21 O ATOM 238 CB ALA A 130 5.449 2.854 -13.905 1.00 2.01 C ATOM 0 H ALA A 130 3.769 1.544 -12.577 1.00 24.10 H new ATOM 0 HA ALA A 130 5.581 0.893 -14.750 1.00 32.10 H new ATOM 0 HB1 ALA A 130 6.379 3.201 -14.355 1.00 2.01 H new ATOM 0 HB2 ALA A 130 4.611 3.137 -14.541 1.00 2.01 H new ATOM 0 HB3 ALA A 130 5.329 3.311 -12.923 1.00 2.01 H new ATOM 244 N VAL A 131 7.593 0.152 -13.557 1.00 72.03 N ATOM 245 CA VAL A 131 8.795 -0.320 -12.882 1.00 24.41 C ATOM 246 C VAL A 131 10.042 0.350 -13.447 1.00 45.21 C ATOM 247 O VAL A 131 11.047 0.506 -12.752 1.00 14.01 O ATOM 248 CB VAL A 131 8.946 -1.848 -13.007 1.00 61.20 C ATOM 249 CG1 VAL A 131 7.741 -2.555 -12.406 1.00 13.23 C ATOM 250 CG2 VAL A 131 9.137 -2.247 -14.463 1.00 12.24 C ATOM 0 H VAL A 131 7.507 -0.153 -14.526 1.00 72.03 H new ATOM 0 HA VAL A 131 8.690 -0.057 -11.829 1.00 24.41 H new ATOM 0 HB VAL A 131 9.832 -2.155 -12.451 1.00 61.20 H new ATOM 0 HG11 VAL A 131 7.866 -3.633 -12.504 1.00 13.23 H new ATOM 0 HG12 VAL A 131 7.655 -2.294 -11.351 1.00 13.23 H new ATOM 0 HG13 VAL A 131 6.838 -2.245 -12.932 1.00 13.23 H new ATOM 0 HG21 VAL A 131 9.242 -3.330 -14.533 1.00 12.24 H new ATOM 0 HG22 VAL A 131 8.272 -1.928 -15.044 1.00 12.24 H new ATOM 0 HG23 VAL A 131 10.034 -1.769 -14.856 1.00 12.24 H new ATOM 260 N LYS A 132 9.972 0.746 -14.713 1.00 50.53 N ATOM 261 CA LYS A 132 11.094 1.403 -15.374 1.00 21.22 C ATOM 262 C LYS A 132 10.792 2.877 -15.623 1.00 71.14 C ATOM 263 O LYS A 132 9.637 3.303 -15.572 1.00 24.34 O ATOM 264 CB LYS A 132 11.412 0.705 -16.698 1.00 61.01 C ATOM 265 CG LYS A 132 12.455 -0.392 -16.573 1.00 4.34 C ATOM 266 CD LYS A 132 12.842 -0.951 -17.931 1.00 64.32 C ATOM 267 CE LYS A 132 13.308 -2.396 -17.827 1.00 55.21 C ATOM 268 NZ LYS A 132 12.193 -3.312 -17.457 1.00 44.10 N ATOM 0 H LYS A 132 9.149 0.623 -15.303 1.00 50.53 H new ATOM 0 HA LYS A 132 11.961 1.335 -14.717 1.00 21.22 H new ATOM 0 HB2 LYS A 132 10.495 0.278 -17.103 1.00 61.01 H new ATOM 0 HB3 LYS A 132 11.762 1.447 -17.415 1.00 61.01 H new ATOM 0 HG2 LYS A 132 13.341 0.002 -16.075 1.00 4.34 H new ATOM 0 HG3 LYS A 132 12.067 -1.194 -15.945 1.00 4.34 H new ATOM 0 HD2 LYS A 132 11.989 -0.890 -18.607 1.00 64.32 H new ATOM 0 HD3 LYS A 132 13.636 -0.342 -18.364 1.00 64.32 H new ATOM 0 HE2 LYS A 132 13.735 -2.710 -18.780 1.00 55.21 H new ATOM 0 HE3 LYS A 132 14.101 -2.469 -17.083 1.00 55.21 H new ATOM 0 HZ1 LYS A 132 12.504 -3.946 -16.694 1.00 44.10 H new ATOM 0 HZ2 LYS A 132 11.378 -2.753 -17.133 1.00 44.10 H new ATOM 0 HZ3 LYS A 132 11.918 -3.877 -18.286 1.00 44.10 H new ATOM 282 N THR A 133 11.837 3.653 -15.896 1.00 74.32 N ATOM 283 CA THR A 133 11.683 5.079 -16.154 1.00 72.23 C ATOM 284 C THR A 133 12.831 5.610 -17.005 1.00 13.52 C ATOM 285 O THR A 133 13.989 5.364 -16.674 1.00 24.24 O ATOM 286 CB THR A 133 11.616 5.883 -14.842 1.00 55.14 C ATOM 287 OG1 THR A 133 10.638 5.311 -13.966 1.00 64.52 O ATOM 288 CG2 THR A 133 11.267 7.338 -15.117 1.00 41.21 C ATOM 0 H THR A 133 12.799 3.317 -15.944 1.00 74.32 H new ATOM 0 HA THR A 133 10.745 5.203 -16.695 1.00 72.23 H new ATOM 0 HB THR A 133 12.596 5.844 -14.367 1.00 55.14 H new ATOM 0 HG1 THR A 133 11.088 4.885 -13.207 1.00 64.52 H new ATOM 0 HG21 THR A 133 11.225 7.886 -14.176 1.00 41.21 H new ATOM 0 HG22 THR A 133 12.028 7.779 -15.761 1.00 41.21 H new ATOM 0 HG23 THR A 133 10.297 7.392 -15.612 1.00 41.21 H new ATOM 296 N CYS A 134 12.490 6.321 -18.070 1.00 33.01 N ATOM 297 CA CYS A 134 13.500 6.878 -18.953 1.00 4.24 C ATOM 298 C CYS A 134 13.669 8.361 -18.615 1.00 31.14 C ATOM 299 O CYS A 134 12.735 9.159 -18.695 1.00 2.24 O ATOM 300 CB CYS A 134 13.145 6.666 -20.425 1.00 74.54 C ATOM 301 SG CYS A 134 14.393 7.471 -21.494 1.00 25.34 S ATOM 0 H CYS A 134 11.528 6.524 -18.341 1.00 33.01 H new ATOM 0 HA CYS A 134 14.447 6.360 -18.798 1.00 4.24 H new ATOM 0 HB2 CYS A 134 13.099 5.600 -20.646 1.00 74.54 H new ATOM 0 HB3 CYS A 134 12.157 7.078 -20.632 1.00 74.54 H new ATOM 0 HG CYS A 134 15.568 7.357 -20.950 1.00 25.34 H new ATOM 306 N VAL A 135 14.892 8.714 -18.231 1.00 53.34 N ATOM 307 CA VAL A 135 15.214 10.091 -17.876 1.00 55.34 C ATOM 308 C VAL A 135 15.154 11.002 -19.098 1.00 15.15 C ATOM 309 O VAL A 135 14.712 12.148 -19.011 1.00 0.55 O ATOM 310 CB VAL A 135 16.613 10.195 -17.241 1.00 33.32 C ATOM 311 CG1 VAL A 135 16.653 9.452 -15.914 1.00 12.00 C ATOM 312 CG2 VAL A 135 17.671 9.659 -18.193 1.00 50.03 C ATOM 0 H VAL A 135 15.676 8.065 -18.158 1.00 53.34 H new ATOM 0 HA VAL A 135 14.468 10.413 -17.149 1.00 55.34 H new ATOM 0 HB VAL A 135 16.829 11.246 -17.049 1.00 33.32 H new ATOM 0 HG11 VAL A 135 17.649 9.536 -15.480 1.00 12.00 H new ATOM 0 HG12 VAL A 135 15.922 9.886 -15.232 1.00 12.00 H new ATOM 0 HG13 VAL A 135 16.417 8.401 -16.078 1.00 12.00 H new ATOM 0 HG21 VAL A 135 18.654 9.740 -17.728 1.00 50.03 H new ATOM 0 HG22 VAL A 135 17.461 8.613 -18.418 1.00 50.03 H new ATOM 0 HG23 VAL A 135 17.657 10.239 -19.116 1.00 50.03 H new ATOM 322 N THR A 136 15.600 10.484 -20.238 1.00 4.53 N ATOM 323 CA THR A 136 15.598 11.251 -21.477 1.00 64.44 C ATOM 324 C THR A 136 14.176 11.518 -21.957 1.00 21.45 C ATOM 325 O THR A 136 13.967 12.451 -22.730 1.00 60.21 O ATOM 326 CB THR A 136 16.374 10.521 -22.590 1.00 63.31 C ATOM 327 OG1 THR A 136 17.715 10.257 -22.161 1.00 13.13 O ATOM 328 CG2 THR A 136 16.399 11.349 -23.866 1.00 14.23 C ATOM 0 H THR A 136 15.967 9.537 -20.329 1.00 4.53 H new ATOM 0 HA THR A 136 16.090 12.200 -21.262 1.00 64.44 H new ATOM 0 HB THR A 136 15.867 9.579 -22.797 1.00 63.31 H new ATOM 0 HG1 THR A 136 18.201 9.791 -22.874 1.00 13.13 H new ATOM 0 HG21 THR A 136 16.952 10.813 -24.637 1.00 14.23 H new ATOM 0 HG22 THR A 136 15.378 11.523 -24.207 1.00 14.23 H new ATOM 0 HG23 THR A 136 16.884 12.305 -23.670 1.00 14.23 H new ATOM 336 N CYS A 137 13.240 10.703 -21.492 1.00 54.35 N ATOM 337 CA CYS A 137 11.849 10.864 -21.881 1.00 33.21 C ATOM 338 C CYS A 137 11.138 11.679 -20.798 1.00 65.50 C ATOM 339 O CYS A 137 10.135 12.348 -21.040 1.00 12.14 O ATOM 340 CB CYS A 137 11.168 9.514 -22.118 1.00 42.22 C ATOM 341 SG CYS A 137 11.643 8.853 -23.757 1.00 41.54 S ATOM 0 H CYS A 137 13.417 9.930 -20.850 1.00 54.35 H new ATOM 0 HA CYS A 137 11.794 11.397 -22.830 1.00 33.21 H new ATOM 0 HB2 CYS A 137 11.454 8.811 -21.336 1.00 42.22 H new ATOM 0 HB3 CYS A 137 10.085 9.629 -22.063 1.00 42.22 H new ATOM 0 HG CYS A 137 12.729 8.148 -23.642 1.00 41.54 H new ATOM 346 N GLU A 138 11.687 11.605 -19.589 1.00 41.23 N ATOM 347 CA GLU A 138 11.126 12.324 -18.452 1.00 10.43 C ATOM 348 C GLU A 138 9.748 11.779 -18.089 1.00 54.14 C ATOM 349 O GLU A 138 8.842 12.535 -17.737 1.00 74.42 O ATOM 350 CB GLU A 138 11.030 13.820 -18.762 1.00 74.53 C ATOM 351 CG GLU A 138 11.307 14.710 -17.563 1.00 30.45 C ATOM 352 CD GLU A 138 11.292 16.185 -17.914 1.00 71.54 C ATOM 353 OE1 GLU A 138 11.962 16.568 -18.896 1.00 21.13 O ATOM 354 OE2 GLU A 138 10.609 16.955 -17.208 1.00 11.32 O ATOM 0 H GLU A 138 12.518 11.055 -19.373 1.00 41.23 H new ATOM 0 HA GLU A 138 11.791 12.179 -17.600 1.00 10.43 H new ATOM 0 HB2 GLU A 138 11.736 14.064 -19.555 1.00 74.53 H new ATOM 0 HB3 GLU A 138 10.033 14.040 -19.144 1.00 74.53 H new ATOM 0 HG2 GLU A 138 10.561 14.517 -16.792 1.00 30.45 H new ATOM 0 HG3 GLU A 138 12.278 14.451 -17.140 1.00 30.45 H new ATOM 361 N VAL A 139 9.597 10.461 -18.179 1.00 55.52 N ATOM 362 CA VAL A 139 8.330 9.814 -17.861 1.00 33.32 C ATOM 363 C VAL A 139 8.555 8.430 -17.262 1.00 62.24 C ATOM 364 O VAL A 139 9.555 7.773 -17.551 1.00 62.33 O ATOM 365 CB VAL A 139 7.437 9.682 -19.109 1.00 64.13 C ATOM 366 CG1 VAL A 139 6.052 9.185 -18.726 1.00 12.44 C ATOM 367 CG2 VAL A 139 7.352 11.011 -19.845 1.00 72.52 C ATOM 0 H VAL A 139 10.336 9.821 -18.469 1.00 55.52 H new ATOM 0 HA VAL A 139 7.827 10.447 -17.129 1.00 33.32 H new ATOM 0 HB VAL A 139 7.886 8.949 -19.780 1.00 64.13 H new ATOM 0 HG11 VAL A 139 5.436 9.098 -19.621 1.00 12.44 H new ATOM 0 HG12 VAL A 139 6.135 8.209 -18.247 1.00 12.44 H new ATOM 0 HG13 VAL A 139 5.590 9.890 -18.035 1.00 12.44 H new ATOM 0 HG21 VAL A 139 6.717 10.900 -20.724 1.00 72.52 H new ATOM 0 HG22 VAL A 139 6.927 11.767 -19.184 1.00 72.52 H new ATOM 0 HG23 VAL A 139 8.350 11.320 -20.155 1.00 72.52 H new ATOM 377 N SER A 140 7.618 7.993 -16.427 1.00 24.41 N ATOM 378 CA SER A 140 7.716 6.687 -15.784 1.00 42.23 C ATOM 379 C SER A 140 6.633 5.745 -16.301 1.00 64.12 C ATOM 380 O SER A 140 5.441 5.996 -16.126 1.00 32.22 O ATOM 381 CB SER A 140 7.599 6.833 -14.266 1.00 23.31 C ATOM 382 OG SER A 140 8.072 5.672 -13.604 1.00 43.14 O ATOM 0 H SER A 140 6.783 8.523 -16.180 1.00 24.41 H new ATOM 0 HA SER A 140 8.690 6.261 -16.027 1.00 42.23 H new ATOM 0 HB2 SER A 140 8.169 7.701 -13.936 1.00 23.31 H new ATOM 0 HB3 SER A 140 6.559 7.012 -13.994 1.00 23.31 H new ATOM 0 HG SER A 140 9.023 5.546 -13.804 1.00 43.14 H new ATOM 388 N TYR A 141 7.058 4.660 -16.939 1.00 72.21 N ATOM 389 CA TYR A 141 6.126 3.680 -17.484 1.00 53.13 C ATOM 390 C TYR A 141 6.501 2.268 -17.045 1.00 13.01 C ATOM 391 O TYR A 141 7.476 2.102 -16.314 1.00 1.50 O ATOM 392 CB TYR A 141 6.103 3.762 -19.012 1.00 31.34 C ATOM 393 CG TYR A 141 5.440 5.013 -19.541 1.00 54.02 C ATOM 394 CD1 TYR A 141 4.259 5.487 -18.982 1.00 61.20 C ATOM 395 CD2 TYR A 141 5.993 5.721 -20.601 1.00 74.10 C ATOM 396 CE1 TYR A 141 3.649 6.629 -19.463 1.00 0.20 C ATOM 397 CE2 TYR A 141 5.390 6.865 -21.087 1.00 64.04 C ATOM 398 CZ TYR A 141 4.219 7.315 -20.515 1.00 52.04 C ATOM 399 OH TYR A 141 3.615 8.454 -20.998 1.00 20.50 O ATOM 0 H TYR A 141 8.042 4.437 -17.091 1.00 72.21 H new ATOM 0 HA TYR A 141 5.132 3.908 -17.099 1.00 53.13 H new ATOM 0 HB2 TYR A 141 7.126 3.717 -19.385 1.00 31.34 H new ATOM 0 HB3 TYR A 141 5.582 2.890 -19.406 1.00 31.34 H new ATOM 0 HD1 TYR A 141 3.811 4.953 -18.157 1.00 61.20 H new ATOM 0 HD2 TYR A 141 6.910 5.371 -21.053 1.00 74.10 H new ATOM 0 HE1 TYR A 141 2.731 6.983 -19.018 1.00 0.20 H new ATOM 0 HE2 TYR A 141 5.834 7.404 -21.911 1.00 64.04 H new ATOM 0 HH TYR A 141 2.756 8.220 -21.407 1.00 20.50 H new ATOM 409 N CYS A 142 5.726 1.292 -17.496 1.00 24.14 N ATOM 410 CA CYS A 142 5.987 -0.093 -17.143 1.00 62.44 C ATOM 411 C CYS A 142 6.864 -0.710 -18.235 1.00 42.31 C ATOM 412 O CYS A 142 7.021 -0.168 -19.330 1.00 31.15 O ATOM 413 CB CYS A 142 4.690 -0.880 -16.942 1.00 2.33 C ATOM 414 SG CYS A 142 3.947 -1.288 -18.563 1.00 63.24 S ATOM 0 H CYS A 142 4.918 1.433 -18.102 1.00 24.14 H new ATOM 0 HA CYS A 142 6.512 -0.134 -16.189 1.00 62.44 H new ATOM 0 HB2 CYS A 142 4.893 -1.795 -16.385 1.00 2.33 H new ATOM 0 HB3 CYS A 142 3.988 -0.294 -16.348 1.00 2.33 H new ATOM 0 HG CYS A 142 2.668 -1.057 -18.525 1.00 63.24 H new ATOM 419 N ASP A 143 7.437 -1.864 -17.910 1.00 52.45 N ATOM 420 CA ASP A 143 8.301 -2.577 -18.843 1.00 63.32 C ATOM 421 C ASP A 143 7.571 -2.863 -20.151 1.00 75.14 C ATOM 422 O ASP A 143 8.145 -2.743 -21.233 1.00 23.32 O ATOM 423 CB ASP A 143 8.789 -3.886 -18.220 1.00 71.34 C ATOM 424 CG ASP A 143 9.340 -4.849 -19.254 1.00 22.03 C ATOM 425 OD1 ASP A 143 10.153 -4.414 -20.095 1.00 43.43 O ATOM 426 OD2 ASP A 143 8.958 -6.038 -19.221 1.00 50.32 O ATOM 0 H ASP A 143 7.319 -2.325 -17.008 1.00 52.45 H new ATOM 0 HA ASP A 143 9.161 -1.943 -19.060 1.00 63.32 H new ATOM 0 HB2 ASP A 143 9.561 -3.668 -17.482 1.00 71.34 H new ATOM 0 HB3 ASP A 143 7.965 -4.361 -17.688 1.00 71.34 H new ATOM 431 N GLU A 144 6.301 -3.242 -20.044 1.00 30.43 N ATOM 432 CA GLU A 144 5.493 -3.547 -21.219 1.00 21.13 C ATOM 433 C GLU A 144 5.579 -2.421 -22.245 1.00 20.00 C ATOM 434 O GLU A 144 6.115 -2.635 -23.331 1.00 43.11 O ATOM 435 CB GLU A 144 4.034 -3.776 -20.817 1.00 4.40 C ATOM 436 CG GLU A 144 3.437 -5.049 -21.392 1.00 50.31 C ATOM 437 CD GLU A 144 2.190 -4.788 -22.215 1.00 64.22 C ATOM 438 OE1 GLU A 144 2.139 -3.747 -22.902 1.00 43.13 O ATOM 439 OE2 GLU A 144 1.266 -5.627 -22.172 1.00 13.41 O ATOM 0 H GLU A 144 5.810 -3.345 -19.156 1.00 30.43 H new ATOM 0 HA GLU A 144 5.885 -4.458 -21.671 1.00 21.13 H new ATOM 0 HB2 GLU A 144 3.967 -3.812 -19.730 1.00 4.40 H new ATOM 0 HB3 GLU A 144 3.438 -2.925 -21.145 1.00 4.40 H new ATOM 0 HG2 GLU A 144 4.181 -5.546 -22.014 1.00 50.31 H new ATOM 0 HG3 GLU A 144 3.194 -5.732 -20.578 1.00 50.31 H new ATOM 446 N CYS A 145 5.054 -1.260 -21.883 1.00 1.40 N ATOM 447 CA CYS A 145 5.078 -0.116 -22.779 1.00 15.00 C ATOM 448 C CYS A 145 6.537 0.211 -23.103 1.00 33.13 C ATOM 449 O CYS A 145 6.905 0.496 -24.243 1.00 51.11 O ATOM 450 CB CYS A 145 4.342 1.086 -22.182 1.00 24.32 C ATOM 451 SG CYS A 145 2.658 0.594 -21.662 1.00 22.12 S ATOM 0 H CYS A 145 4.609 -1.087 -20.982 1.00 1.40 H new ATOM 0 HA CYS A 145 4.549 -0.362 -23.700 1.00 15.00 H new ATOM 0 HB2 CYS A 145 4.896 1.475 -21.328 1.00 24.32 H new ATOM 0 HB3 CYS A 145 4.285 1.889 -22.917 1.00 24.32 H new ATOM 0 HG CYS A 145 1.868 1.625 -21.717 1.00 22.12 H new ATOM 456 N LEU A 146 7.366 0.163 -22.066 1.00 61.12 N ATOM 457 CA LEU A 146 8.789 0.449 -22.211 1.00 62.12 C ATOM 458 C LEU A 146 9.389 -0.344 -23.368 1.00 52.01 C ATOM 459 O LEU A 146 10.357 0.087 -23.995 1.00 54.32 O ATOM 460 CB LEU A 146 9.530 0.120 -20.914 1.00 64.32 C ATOM 461 CG LEU A 146 11.004 0.526 -20.861 1.00 55.22 C ATOM 462 CD1 LEU A 146 11.865 -0.491 -21.593 1.00 33.41 C ATOM 463 CD2 LEU A 146 11.195 1.915 -21.454 1.00 63.40 C ATOM 0 H LEU A 146 7.077 -0.071 -21.116 1.00 61.12 H new ATOM 0 HA LEU A 146 8.901 1.512 -22.427 1.00 62.12 H new ATOM 0 HB2 LEU A 146 9.010 0.606 -20.089 1.00 64.32 H new ATOM 0 HB3 LEU A 146 9.463 -0.955 -20.744 1.00 64.32 H new ATOM 0 HG LEU A 146 11.317 0.551 -19.817 1.00 55.22 H new ATOM 0 HD11 LEU A 146 12.910 -0.185 -21.544 1.00 33.41 H new ATOM 0 HD12 LEU A 146 11.751 -1.469 -21.125 1.00 33.41 H new ATOM 0 HD13 LEU A 146 11.552 -0.549 -22.635 1.00 33.41 H new ATOM 0 HD21 LEU A 146 12.249 2.188 -21.408 1.00 63.40 H new ATOM 0 HD22 LEU A 146 10.865 1.916 -22.493 1.00 63.40 H new ATOM 0 HD23 LEU A 146 10.608 2.637 -20.886 1.00 63.40 H new ATOM 475 N LYS A 147 8.806 -1.505 -23.647 1.00 64.15 N ATOM 476 CA LYS A 147 9.280 -2.358 -24.731 1.00 53.13 C ATOM 477 C LYS A 147 8.829 -1.818 -26.085 1.00 34.32 C ATOM 478 O LYS A 147 9.611 -1.763 -27.033 1.00 75.24 O ATOM 479 CB LYS A 147 8.767 -3.788 -24.544 1.00 3.42 C ATOM 480 CG LYS A 147 9.584 -4.829 -25.289 1.00 20.10 C ATOM 481 CD LYS A 147 8.794 -6.109 -25.502 1.00 71.34 C ATOM 482 CE LYS A 147 9.286 -6.871 -26.724 1.00 13.23 C ATOM 483 NZ LYS A 147 8.231 -6.982 -27.770 1.00 25.45 N ATOM 0 H LYS A 147 8.004 -1.877 -23.138 1.00 64.15 H new ATOM 0 HA LYS A 147 10.370 -2.363 -24.706 1.00 53.13 H new ATOM 0 HB2 LYS A 147 8.768 -4.030 -23.481 1.00 3.42 H new ATOM 0 HB3 LYS A 147 7.732 -3.841 -24.881 1.00 3.42 H new ATOM 0 HG2 LYS A 147 9.895 -4.427 -26.253 1.00 20.10 H new ATOM 0 HG3 LYS A 147 10.492 -5.050 -24.728 1.00 20.10 H new ATOM 0 HD2 LYS A 147 8.879 -6.742 -24.619 1.00 71.34 H new ATOM 0 HD3 LYS A 147 7.737 -5.870 -25.622 1.00 71.34 H new ATOM 0 HE2 LYS A 147 10.158 -6.366 -27.140 1.00 13.23 H new ATOM 0 HE3 LYS A 147 9.607 -7.869 -26.425 1.00 13.23 H new ATOM 0 HZ1 LYS A 147 8.605 -7.507 -28.586 1.00 25.45 H new ATOM 0 HZ2 LYS A 147 7.408 -7.486 -27.381 1.00 25.45 H new ATOM 0 HZ3 LYS A 147 7.942 -6.030 -28.074 1.00 25.45 H new ATOM 497 N ALA A 148 7.563 -1.420 -26.166 1.00 62.21 N ATOM 498 CA ALA A 148 7.010 -0.882 -27.402 1.00 53.24 C ATOM 499 C ALA A 148 7.643 0.461 -27.748 1.00 43.52 C ATOM 500 O ALA A 148 8.145 0.657 -28.856 1.00 31.11 O ATOM 501 CB ALA A 148 5.499 -0.741 -27.287 1.00 1.10 C ATOM 0 H ALA A 148 6.902 -1.460 -25.390 1.00 62.21 H new ATOM 0 HA ALA A 148 7.239 -1.580 -28.207 1.00 53.24 H new ATOM 0 HB1 ALA A 148 5.099 -0.338 -28.218 1.00 1.10 H new ATOM 0 HB2 ALA A 148 5.056 -1.718 -27.095 1.00 1.10 H new ATOM 0 HB3 ALA A 148 5.258 -0.066 -26.466 1.00 1.10 H new ATOM 507 N THR A 149 7.617 1.387 -26.794 1.00 32.53 N ATOM 508 CA THR A 149 8.187 2.712 -26.998 1.00 13.20 C ATOM 509 C THR A 149 9.672 2.627 -27.331 1.00 31.12 C ATOM 510 O THR A 149 10.156 3.310 -28.234 1.00 4.15 O ATOM 511 CB THR A 149 8.001 3.601 -25.754 1.00 2.31 C ATOM 512 OG1 THR A 149 8.711 3.043 -24.642 1.00 73.25 O ATOM 513 CG2 THR A 149 6.528 3.741 -25.403 1.00 74.51 C ATOM 0 H THR A 149 7.206 1.243 -25.871 1.00 32.53 H new ATOM 0 HA THR A 149 7.655 3.159 -27.838 1.00 13.20 H new ATOM 0 HB THR A 149 8.399 4.590 -25.980 1.00 2.31 H new ATOM 0 HG1 THR A 149 8.288 2.201 -24.373 1.00 73.25 H new ATOM 0 HG21 THR A 149 6.423 4.373 -24.521 1.00 74.51 H new ATOM 0 HG22 THR A 149 5.996 4.194 -26.240 1.00 74.51 H new ATOM 0 HG23 THR A 149 6.108 2.757 -25.196 1.00 74.51 H new ATOM 521 N HIS A 150 10.391 1.783 -26.597 1.00 14.33 N ATOM 522 CA HIS A 150 11.822 1.608 -26.816 1.00 30.25 C ATOM 523 C HIS A 150 12.123 0.208 -27.343 1.00 4.21 C ATOM 524 O HIS A 150 12.412 -0.718 -26.585 1.00 62.22 O ATOM 525 CB HIS A 150 12.592 1.853 -25.517 1.00 74.13 C ATOM 526 CG HIS A 150 12.448 3.247 -24.990 1.00 12.31 C ATOM 527 ND1 HIS A 150 11.700 4.218 -25.623 1.00 30.14 N ATOM 528 CD2 HIS A 150 12.960 3.832 -23.882 1.00 21.02 C ATOM 529 CE1 HIS A 150 11.760 5.340 -24.927 1.00 71.44 C ATOM 530 NE2 HIS A 150 12.518 5.132 -23.866 1.00 21.00 N ATOM 0 H HIS A 150 10.006 1.210 -25.846 1.00 14.33 H new ATOM 0 HA HIS A 150 12.142 2.335 -27.562 1.00 30.25 H new ATOM 0 HB2 HIS A 150 12.245 1.150 -24.760 1.00 74.13 H new ATOM 0 HB3 HIS A 150 13.648 1.644 -25.686 1.00 74.13 H new ATOM 0 HD2 HIS A 150 13.598 3.363 -23.147 1.00 21.02 H new ATOM 0 HE1 HIS A 150 11.272 6.269 -25.183 1.00 71.44 H new ATOM 0 HE2 HIS A 150 12.739 5.825 -23.151 1.00 21.00 H new ATOM 664 N HIS A 159 18.504 4.623 -24.973 1.00 45.41 N ATOM 665 CA HIS A 159 17.992 5.698 -24.130 1.00 44.13 C ATOM 666 C HIS A 159 18.533 5.578 -22.709 1.00 3.43 C ATOM 667 O HIS A 159 18.901 4.491 -22.264 1.00 33.13 O ATOM 668 CB HIS A 159 16.464 5.675 -24.110 1.00 72.14 C ATOM 669 CG HIS A 159 15.838 6.539 -25.161 1.00 51.42 C ATOM 670 ND1 HIS A 159 14.480 6.767 -25.238 1.00 61.21 N ATOM 671 CD2 HIS A 159 16.393 7.235 -26.181 1.00 52.21 C ATOM 672 CE1 HIS A 159 14.227 7.564 -26.261 1.00 34.42 C ATOM 673 NE2 HIS A 159 15.370 7.863 -26.849 1.00 65.15 N ATOM 0 HA HIS A 159 18.328 6.647 -24.549 1.00 44.13 H new ATOM 0 HB2 HIS A 159 16.123 4.649 -24.244 1.00 72.14 H new ATOM 0 HB3 HIS A 159 16.117 6.001 -23.129 1.00 72.14 H new ATOM 0 HD1 HIS A 159 13.780 6.381 -24.604 1.00 61.21 H new ATOM 0 HD2 HIS A 159 17.444 7.287 -26.424 1.00 52.21 H new ATOM 0 HE1 HIS A 159 13.251 7.912 -26.564 1.00 34.42 H new ATOM 680 N ARG A 160 18.580 6.703 -22.002 1.00 32.22 N ATOM 681 CA ARG A 160 19.078 6.724 -20.632 1.00 33.23 C ATOM 682 C ARG A 160 17.998 6.269 -19.654 1.00 1.12 C ATOM 683 O ARG A 160 16.877 6.780 -19.668 1.00 62.34 O ATOM 684 CB ARG A 160 19.557 8.129 -20.262 1.00 33.20 C ATOM 685 CG ARG A 160 20.778 8.582 -21.045 1.00 62.41 C ATOM 686 CD ARG A 160 21.168 10.009 -20.694 1.00 34.13 C ATOM 687 NE ARG A 160 20.533 10.983 -21.578 1.00 33.25 N ATOM 688 CZ ARG A 160 20.880 11.159 -22.848 1.00 31.44 C ATOM 689 NH1 ARG A 160 21.851 10.429 -23.380 1.00 11.52 N ATOM 690 NH2 ARG A 160 20.255 12.065 -23.588 1.00 72.02 N ATOM 0 H ARG A 160 18.279 7.611 -22.356 1.00 32.22 H new ATOM 0 HA ARG A 160 19.918 6.032 -20.567 1.00 33.23 H new ATOM 0 HB2 ARG A 160 18.745 8.836 -20.430 1.00 33.20 H new ATOM 0 HB3 ARG A 160 19.788 8.156 -19.197 1.00 33.20 H new ATOM 0 HG2 ARG A 160 21.614 7.914 -20.837 1.00 62.41 H new ATOM 0 HG3 ARG A 160 20.573 8.512 -22.113 1.00 62.41 H new ATOM 0 HD2 ARG A 160 20.886 10.218 -19.662 1.00 34.13 H new ATOM 0 HD3 ARG A 160 22.251 10.115 -20.757 1.00 34.13 H new ATOM 0 HE ARG A 160 19.782 11.560 -21.199 1.00 33.25 H new ATOM 0 HH11 ARG A 160 22.333 9.731 -22.814 1.00 11.52 H new ATOM 0 HH12 ARG A 160 22.116 10.566 -24.355 1.00 11.52 H new ATOM 0 HH21 ARG A 160 19.507 12.627 -23.182 1.00 72.02 H new ATOM 0 HH22 ARG A 160 20.522 12.199 -24.563 1.00 72.02 H new ATOM 704 N LEU A 161 18.343 5.306 -18.806 1.00 12.41 N ATOM 705 CA LEU A 161 17.403 4.782 -17.821 1.00 23.12 C ATOM 706 C LEU A 161 18.085 4.583 -16.471 1.00 34.13 C ATOM 707 O LEU A 161 19.066 3.848 -16.362 1.00 64.23 O ATOM 708 CB LEU A 161 16.811 3.458 -18.306 1.00 62.42 C ATOM 709 CG LEU A 161 16.048 3.509 -19.630 1.00 61.23 C ATOM 710 CD1 LEU A 161 16.616 2.497 -20.613 1.00 61.22 C ATOM 711 CD2 LEU A 161 14.565 3.258 -19.401 1.00 72.10 C ATOM 0 H LEU A 161 19.266 4.873 -18.781 1.00 12.41 H new ATOM 0 HA LEU A 161 16.600 5.509 -17.699 1.00 23.12 H new ATOM 0 HB2 LEU A 161 17.621 2.735 -18.404 1.00 62.42 H new ATOM 0 HB3 LEU A 161 16.138 3.080 -17.536 1.00 62.42 H new ATOM 0 HG LEU A 161 16.166 4.505 -20.057 1.00 61.23 H new ATOM 0 HD11 LEU A 161 16.060 2.548 -21.549 1.00 61.22 H new ATOM 0 HD12 LEU A 161 17.666 2.722 -20.801 1.00 61.22 H new ATOM 0 HD13 LEU A 161 16.530 1.495 -20.194 1.00 61.22 H new ATOM 0 HD21 LEU A 161 14.038 3.298 -20.354 1.00 72.10 H new ATOM 0 HD22 LEU A 161 14.428 2.275 -18.951 1.00 72.10 H new ATOM 0 HD23 LEU A 161 14.166 4.021 -18.733 1.00 72.10 H new ATOM 723 N ILE A 162 17.556 5.241 -15.444 1.00 72.24 N ATOM 724 CA ILE A 162 18.111 5.133 -14.101 1.00 41.20 C ATOM 725 C ILE A 162 18.295 3.674 -13.697 1.00 53.23 C ATOM 726 O ILE A 162 17.324 2.930 -13.568 1.00 32.55 O ATOM 727 CB ILE A 162 17.213 5.832 -13.063 1.00 43.32 C ATOM 728 CG1 ILE A 162 17.038 7.310 -13.421 1.00 22.43 C ATOM 729 CG2 ILE A 162 17.803 5.685 -11.668 1.00 52.53 C ATOM 730 CD1 ILE A 162 15.596 7.767 -13.410 1.00 4.34 C ATOM 0 H ILE A 162 16.744 5.854 -15.517 1.00 72.24 H new ATOM 0 HA ILE A 162 19.082 5.627 -14.121 1.00 41.20 H new ATOM 0 HB ILE A 162 16.232 5.357 -13.073 1.00 43.32 H new ATOM 0 HG12 ILE A 162 17.608 7.916 -12.717 1.00 22.43 H new ATOM 0 HG13 ILE A 162 17.460 7.488 -14.410 1.00 22.43 H new ATOM 0 HG21 ILE A 162 17.157 6.184 -10.945 1.00 52.53 H new ATOM 0 HG22 ILE A 162 17.881 4.628 -11.415 1.00 52.53 H new ATOM 0 HG23 ILE A 162 18.794 6.138 -11.643 1.00 52.53 H new ATOM 0 HD11 ILE A 162 15.547 8.824 -13.673 1.00 4.34 H new ATOM 0 HD12 ILE A 162 15.025 7.186 -14.134 1.00 4.34 H new ATOM 0 HD13 ILE A 162 15.176 7.621 -12.415 1.00 4.34 H new ATOM 894 N LEU A 173 22.702 -4.448 -8.165 1.00 21.23 N ATOM 895 CA LEU A 173 23.023 -3.672 -9.358 1.00 31.14 C ATOM 896 C LEU A 173 23.680 -2.347 -8.985 1.00 24.22 C ATOM 897 O LEU A 173 23.548 -1.873 -7.857 1.00 24.53 O ATOM 898 CB LEU A 173 21.758 -3.414 -10.177 1.00 55.44 C ATOM 899 CG LEU A 173 20.994 -4.654 -10.642 1.00 71.22 C ATOM 900 CD1 LEU A 173 19.496 -4.393 -10.633 1.00 34.45 C ATOM 901 CD2 LEU A 173 21.455 -5.075 -12.030 1.00 31.41 C ATOM 0 HA LEU A 173 23.726 -4.249 -9.959 1.00 31.14 H new ATOM 0 HB2 LEU A 173 21.083 -2.798 -9.582 1.00 55.44 H new ATOM 0 HB3 LEU A 173 22.031 -2.830 -11.056 1.00 55.44 H new ATOM 0 HG LEU A 173 21.204 -5.468 -9.948 1.00 71.22 H new ATOM 0 HD11 LEU A 173 18.969 -5.287 -10.967 1.00 34.45 H new ATOM 0 HD12 LEU A 173 19.177 -4.140 -9.622 1.00 34.45 H new ATOM 0 HD13 LEU A 173 19.267 -3.565 -11.304 1.00 34.45 H new ATOM 0 HD21 LEU A 173 20.901 -5.959 -12.345 1.00 31.41 H new ATOM 0 HD22 LEU A 173 21.275 -4.263 -12.735 1.00 31.41 H new ATOM 0 HD23 LEU A 173 22.520 -5.304 -12.006 1.00 31.41 H new ATOM 913 N MET A 174 24.387 -1.753 -9.941 1.00 60.50 N ATOM 914 CA MET A 174 25.062 -0.481 -9.714 1.00 1.04 C ATOM 915 C MET A 174 24.373 0.644 -10.479 1.00 44.32 C ATOM 916 O MET A 174 23.506 0.366 -11.306 1.00 43.32 O ATOM 917 CB MET A 174 26.530 -0.576 -10.134 1.00 40.20 C ATOM 918 CG MET A 174 27.505 -0.277 -9.007 1.00 45.22 C ATOM 919 SD MET A 174 29.150 -0.949 -9.315 1.00 71.14 S ATOM 920 CE MET A 174 28.860 -2.695 -9.038 1.00 14.55 C ATOM 0 H MET A 174 24.507 -2.132 -10.880 1.00 60.50 H new ATOM 0 HA MET A 174 25.011 -0.256 -8.649 1.00 1.04 H new ATOM 0 HB2 MET A 174 26.726 -1.578 -10.517 1.00 40.20 H new ATOM 0 HB3 MET A 174 26.711 0.119 -10.954 1.00 40.20 H new ATOM 0 HG2 MET A 174 27.577 0.802 -8.871 1.00 45.22 H new ATOM 0 HG3 MET A 174 27.116 -0.690 -8.076 1.00 45.22 H new ATOM 0 HE1 MET A 174 29.812 -3.200 -8.874 1.00 14.55 H new ATOM 0 HE2 MET A 174 28.225 -2.824 -8.162 1.00 14.55 H new ATOM 0 HE3 MET A 174 28.367 -3.125 -9.910 1.00 14.55 H new ATOM 930 N CYS A 175 24.768 1.876 -10.191 1.00 65.22 N ATOM 931 CA CYS A 175 24.182 3.025 -10.859 1.00 14.35 C ATOM 932 C CYS A 175 24.753 3.102 -12.276 1.00 23.24 C ATOM 933 O CYS A 175 25.578 2.287 -12.692 1.00 51.24 O ATOM 934 CB CYS A 175 24.422 4.318 -10.076 1.00 20.44 C ATOM 935 SG CYS A 175 22.869 5.278 -9.961 1.00 53.32 S ATOM 0 H CYS A 175 25.487 2.103 -9.504 1.00 65.22 H new ATOM 0 HA CYS A 175 23.100 2.904 -10.911 1.00 14.35 H new ATOM 0 HB2 CYS A 175 24.790 4.085 -9.077 1.00 20.44 H new ATOM 0 HB3 CYS A 175 25.191 4.913 -10.568 1.00 20.44 H new ATOM 0 HG CYS A 175 22.878 5.989 -8.873 1.00 53.32 H new ATOM 940 N LEU A 176 24.294 4.107 -13.013 1.00 32.21 N ATOM 941 CA LEU A 176 24.742 4.316 -14.385 1.00 52.04 C ATOM 942 C LEU A 176 26.249 4.544 -14.437 1.00 40.24 C ATOM 943 O LEU A 176 26.981 3.774 -15.057 1.00 64.14 O ATOM 944 CB LEU A 176 24.012 5.509 -15.005 1.00 1.45 C ATOM 945 CG LEU A 176 23.549 5.336 -16.452 1.00 3.15 C ATOM 946 CD1 LEU A 176 22.167 4.704 -16.498 1.00 31.23 C ATOM 947 CD2 LEU A 176 23.550 6.674 -17.176 1.00 1.43 C ATOM 0 H LEU A 176 23.612 4.790 -12.684 1.00 32.21 H new ATOM 0 HA LEU A 176 24.509 3.418 -14.958 1.00 52.04 H new ATOM 0 HB2 LEU A 176 23.141 5.735 -14.391 1.00 1.45 H new ATOM 0 HB3 LEU A 176 24.670 6.377 -14.957 1.00 1.45 H new ATOM 0 HG LEU A 176 24.247 4.671 -16.960 1.00 3.15 H new ATOM 0 HD11 LEU A 176 21.854 4.589 -17.536 1.00 31.23 H new ATOM 0 HD12 LEU A 176 22.198 3.726 -16.017 1.00 31.23 H new ATOM 0 HD13 LEU A 176 21.457 5.344 -15.974 1.00 31.23 H new ATOM 0 HD21 LEU A 176 23.218 6.532 -18.204 1.00 1.43 H new ATOM 0 HD22 LEU A 176 22.875 7.363 -16.669 1.00 1.43 H new ATOM 0 HD23 LEU A 176 24.558 7.088 -17.175 1.00 1.43 H new ATOM 959 N GLU A 177 26.705 5.606 -13.780 1.00 53.35 N ATOM 960 CA GLU A 177 28.125 5.934 -13.751 1.00 42.14 C ATOM 961 C GLU A 177 28.585 6.237 -12.328 1.00 53.22 C ATOM 962 O GLU A 177 29.219 7.262 -12.073 1.00 73.23 O ATOM 963 CB GLU A 177 28.413 7.132 -14.658 1.00 44.52 C ATOM 964 CG GLU A 177 28.554 6.765 -16.126 1.00 2.32 C ATOM 965 CD GLU A 177 28.451 7.970 -17.041 1.00 62.11 C ATOM 966 OE1 GLU A 177 28.890 9.065 -16.631 1.00 32.01 O ATOM 967 OE2 GLU A 177 27.932 7.818 -18.167 1.00 3.04 O ATOM 0 H GLU A 177 26.112 6.253 -13.261 1.00 53.35 H new ATOM 0 HA GLU A 177 28.679 5.069 -14.117 1.00 42.14 H new ATOM 0 HB2 GLU A 177 27.609 7.860 -14.550 1.00 44.52 H new ATOM 0 HB3 GLU A 177 29.330 7.618 -14.324 1.00 44.52 H new ATOM 0 HG2 GLU A 177 29.515 6.275 -16.283 1.00 2.32 H new ATOM 0 HG3 GLU A 177 27.781 6.044 -16.392 1.00 2.32 H new ATOM 974 N HIS A 178 28.260 5.339 -11.404 1.00 33.03 N ATOM 975 CA HIS A 178 28.639 5.509 -10.006 1.00 14.54 C ATOM 976 C HIS A 178 29.072 4.180 -9.394 1.00 53.41 C ATOM 977 O HIS A 178 28.299 3.529 -8.692 1.00 60.03 O ATOM 978 CB HIS A 178 27.474 6.096 -9.207 1.00 73.24 C ATOM 979 CG HIS A 178 27.051 7.455 -9.675 1.00 23.43 C ATOM 980 ND1 HIS A 178 25.738 7.788 -9.929 1.00 51.33 N ATOM 981 CD2 HIS A 178 27.777 8.568 -9.932 1.00 24.34 C ATOM 982 CE1 HIS A 178 25.674 9.047 -10.324 1.00 44.33 C ATOM 983 NE2 HIS A 178 26.899 9.543 -10.334 1.00 14.32 N ATOM 0 H HIS A 178 27.735 4.486 -11.598 1.00 33.03 H new ATOM 0 HA HIS A 178 29.482 6.199 -9.966 1.00 14.54 H new ATOM 0 HB2 HIS A 178 26.623 5.418 -9.270 1.00 73.24 H new ATOM 0 HB3 HIS A 178 27.758 6.155 -8.156 1.00 73.24 H new ATOM 0 HD2 HIS A 178 28.848 8.670 -9.838 1.00 24.34 H new ATOM 0 HE1 HIS A 178 24.774 9.580 -10.593 1.00 44.33 H new ATOM 0 HE2 HIS A 178 27.151 10.496 -10.598 1.00 14.32 H new ATOM 990 N GLU A 179 30.311 3.785 -9.667 1.00 3.03 N ATOM 991 CA GLU A 179 30.845 2.533 -9.144 1.00 63.22 C ATOM 992 C GLU A 179 31.269 2.688 -7.687 1.00 4.34 C ATOM 993 O GLU A 179 31.169 1.750 -6.896 1.00 60.33 O ATOM 994 CB GLU A 179 32.036 2.069 -9.987 1.00 13.35 C ATOM 995 CG GLU A 179 33.117 3.125 -10.145 1.00 22.24 C ATOM 996 CD GLU A 179 34.397 2.565 -10.734 1.00 62.11 C ATOM 997 OE1 GLU A 179 34.967 1.631 -10.133 1.00 24.54 O ATOM 998 OE2 GLU A 179 34.829 3.061 -11.796 1.00 33.42 O ATOM 0 H GLU A 179 30.963 4.313 -10.247 1.00 3.03 H new ATOM 0 HA GLU A 179 30.057 1.782 -9.197 1.00 63.22 H new ATOM 0 HB2 GLU A 179 32.471 1.181 -9.528 1.00 13.35 H new ATOM 0 HB3 GLU A 179 31.679 1.775 -10.974 1.00 13.35 H new ATOM 0 HG2 GLU A 179 32.747 3.926 -10.785 1.00 22.24 H new ATOM 0 HG3 GLU A 179 33.332 3.568 -9.173 1.00 22.24 H new ATOM 1005 N ASP A 180 31.744 3.879 -7.339 1.00 10.33 N ATOM 1006 CA ASP A 180 32.183 4.159 -5.977 1.00 3.24 C ATOM 1007 C ASP A 180 30.999 4.174 -5.016 1.00 15.32 C ATOM 1008 O ASP A 180 31.157 3.943 -3.818 1.00 14.03 O ATOM 1009 CB ASP A 180 32.919 5.499 -5.920 1.00 54.14 C ATOM 1010 CG ASP A 180 33.623 5.718 -4.596 1.00 31.12 C ATOM 1011 OD1 ASP A 180 32.973 6.217 -3.653 1.00 32.50 O ATOM 1012 OD2 ASP A 180 34.824 5.390 -4.502 1.00 31.34 O ATOM 0 H ASP A 180 31.835 4.666 -7.981 1.00 10.33 H new ATOM 0 HA ASP A 180 32.865 3.365 -5.672 1.00 3.24 H new ATOM 0 HB2 ASP A 180 33.649 5.543 -6.728 1.00 54.14 H new ATOM 0 HB3 ASP A 180 32.208 6.308 -6.088 1.00 54.14 H new ATOM 1017 N GLU A 181 29.813 4.449 -5.551 1.00 12.25 N ATOM 1018 CA GLU A 181 28.602 4.496 -4.739 1.00 42.31 C ATOM 1019 C GLU A 181 27.502 3.636 -5.353 1.00 72.33 C ATOM 1020 O GLU A 181 27.024 3.911 -6.454 1.00 71.32 O ATOM 1021 CB GLU A 181 28.115 5.939 -4.594 1.00 12.42 C ATOM 1022 CG GLU A 181 27.823 6.342 -3.158 1.00 31.41 C ATOM 1023 CD GLU A 181 26.772 5.462 -2.508 1.00 4.21 C ATOM 1024 OE1 GLU A 181 25.640 5.405 -3.032 1.00 43.13 O ATOM 1025 OE2 GLU A 181 27.082 4.832 -1.475 1.00 73.24 O ATOM 0 H GLU A 181 29.665 4.642 -6.542 1.00 12.25 H new ATOM 0 HA GLU A 181 28.841 4.100 -3.752 1.00 42.31 H new ATOM 0 HB2 GLU A 181 28.869 6.611 -5.005 1.00 12.42 H new ATOM 0 HB3 GLU A 181 27.212 6.070 -5.190 1.00 12.42 H new ATOM 0 HG2 GLU A 181 28.743 6.293 -2.576 1.00 31.41 H new ATOM 0 HG3 GLU A 181 27.488 7.379 -3.136 1.00 31.41 H new ATOM 1032 N LYS A 182 27.104 2.592 -4.634 1.00 24.32 N ATOM 1033 CA LYS A 182 26.060 1.690 -5.105 1.00 64.32 C ATOM 1034 C LYS A 182 24.676 2.266 -4.825 1.00 22.11 C ATOM 1035 O LYS A 182 24.544 3.297 -4.165 1.00 72.21 O ATOM 1036 CB LYS A 182 26.200 0.321 -4.436 1.00 32.25 C ATOM 1037 CG LYS A 182 26.226 -0.837 -5.418 1.00 73.21 C ATOM 1038 CD LYS A 182 26.238 -2.177 -4.701 1.00 43.20 C ATOM 1039 CE LYS A 182 25.692 -3.287 -5.585 1.00 72.30 C ATOM 1040 NZ LYS A 182 24.457 -3.894 -5.014 1.00 41.44 N ATOM 0 H LYS A 182 27.490 2.349 -3.721 1.00 24.32 H new ATOM 0 HA LYS A 182 26.174 1.574 -6.183 1.00 64.32 H new ATOM 0 HB2 LYS A 182 27.116 0.306 -3.846 1.00 32.25 H new ATOM 0 HB3 LYS A 182 25.372 0.179 -3.742 1.00 32.25 H new ATOM 0 HG2 LYS A 182 25.355 -0.781 -6.071 1.00 73.21 H new ATOM 0 HG3 LYS A 182 27.107 -0.756 -6.054 1.00 73.21 H new ATOM 0 HD2 LYS A 182 27.257 -2.420 -4.398 1.00 43.20 H new ATOM 0 HD3 LYS A 182 25.642 -2.109 -3.791 1.00 43.20 H new ATOM 0 HE2 LYS A 182 25.476 -2.889 -6.576 1.00 72.30 H new ATOM 0 HE3 LYS A 182 26.452 -4.059 -5.710 1.00 72.30 H new ATOM 0 HZ1 LYS A 182 24.116 -4.646 -5.646 1.00 41.44 H new ATOM 0 HZ2 LYS A 182 24.669 -4.297 -4.079 1.00 41.44 H new ATOM 0 HZ3 LYS A 182 23.723 -3.163 -4.918 1.00 41.44 H new ATOM 1054 N VAL A 183 23.647 1.593 -5.329 1.00 53.03 N ATOM 1055 CA VAL A 183 22.272 2.037 -5.131 1.00 21.13 C ATOM 1056 C VAL A 183 21.746 1.604 -3.767 1.00 24.22 C ATOM 1057 O VAL A 183 21.718 0.415 -3.450 1.00 54.43 O ATOM 1058 CB VAL A 183 21.341 1.486 -6.226 1.00 75.35 C ATOM 1059 CG1 VAL A 183 21.667 2.116 -7.572 1.00 13.22 C ATOM 1060 CG2 VAL A 183 21.444 -0.030 -6.300 1.00 34.31 C ATOM 0 H VAL A 183 23.739 0.738 -5.878 1.00 53.03 H new ATOM 0 HA VAL A 183 22.280 3.126 -5.186 1.00 21.13 H new ATOM 0 HB VAL A 183 20.314 1.746 -5.969 1.00 75.35 H new ATOM 0 HG11 VAL A 183 20.999 1.714 -8.333 1.00 13.22 H new ATOM 0 HG12 VAL A 183 21.537 3.196 -7.509 1.00 13.22 H new ATOM 0 HG13 VAL A 183 22.699 1.890 -7.839 1.00 13.22 H new ATOM 0 HG21 VAL A 183 20.779 -0.402 -7.079 1.00 34.31 H new ATOM 0 HG22 VAL A 183 22.470 -0.314 -6.532 1.00 34.31 H new ATOM 0 HG23 VAL A 183 21.156 -0.461 -5.341 1.00 34.31 H new ATOM 1070 N ASN A 184 21.331 2.577 -2.963 1.00 34.02 N ATOM 1071 CA ASN A 184 20.805 2.296 -1.632 1.00 1.55 C ATOM 1072 C ASN A 184 19.543 3.110 -1.363 1.00 35.44 C ATOM 1073 O ASN A 184 19.164 3.324 -0.211 1.00 51.15 O ATOM 1074 CB ASN A 184 21.861 2.606 -0.568 1.00 52.12 C ATOM 1075 CG ASN A 184 22.894 1.503 -0.441 1.00 12.23 C ATOM 1076 OD1 ASN A 184 22.591 0.405 0.025 1.00 71.51 O ATOM 1077 ND2 ASN A 184 24.122 1.792 -0.855 1.00 11.31 N ATOM 0 H ASN A 184 21.349 3.567 -3.209 1.00 34.02 H new ATOM 0 HA ASN A 184 20.550 1.237 -1.585 1.00 1.55 H new ATOM 0 HB2 ASN A 184 22.361 3.542 -0.818 1.00 52.12 H new ATOM 0 HB3 ASN A 184 21.371 2.754 0.394 1.00 52.12 H new ATOM 0 HD21 ASN A 184 24.859 1.090 -0.793 1.00 11.31 H new ATOM 0 HD22 ASN A 184 24.328 2.716 -1.235 1.00 11.31 H new ATOM 1084 N MET A 185 18.895 3.559 -2.433 1.00 24.31 N ATOM 1085 CA MET A 185 17.674 4.347 -2.312 1.00 62.43 C ATOM 1086 C MET A 185 16.649 3.925 -3.361 1.00 24.05 C ATOM 1087 O MET A 185 16.940 3.106 -4.232 1.00 62.35 O ATOM 1088 CB MET A 185 17.987 5.837 -2.459 1.00 11.15 C ATOM 1089 CG MET A 185 18.286 6.528 -1.138 1.00 24.41 C ATOM 1090 SD MET A 185 17.592 8.189 -1.050 1.00 1.32 S ATOM 1091 CE MET A 185 18.568 8.894 0.277 1.00 73.12 C ATOM 0 H MET A 185 19.195 3.391 -3.393 1.00 24.31 H new ATOM 0 HA MET A 185 17.251 4.168 -1.323 1.00 62.43 H new ATOM 0 HB2 MET A 185 18.842 5.956 -3.124 1.00 11.15 H new ATOM 0 HB3 MET A 185 17.141 6.332 -2.936 1.00 11.15 H new ATOM 0 HG2 MET A 185 17.887 5.928 -0.320 1.00 24.41 H new ATOM 0 HG3 MET A 185 19.365 6.582 -0.997 1.00 24.41 H new ATOM 0 HE1 MET A 185 18.075 9.789 0.655 1.00 73.12 H new ATOM 0 HE2 MET A 185 18.666 8.166 1.082 1.00 73.12 H new ATOM 0 HE3 MET A 185 19.557 9.156 -0.098 1.00 73.12 H new ATOM 1101 N TYR A 186 15.450 4.489 -3.269 1.00 43.14 N ATOM 1102 CA TYR A 186 14.382 4.169 -4.208 1.00 53.24 C ATOM 1103 C TYR A 186 13.499 5.387 -4.464 1.00 72.34 C ATOM 1104 O TYR A 186 13.153 6.091 -3.517 1.00 53.02 O ATOM 1105 CB TYR A 186 13.534 3.014 -3.674 1.00 73.41 C ATOM 1106 CG TYR A 186 12.468 2.548 -4.640 1.00 32.20 C ATOM 1107 CD1 TYR A 186 11.217 3.153 -4.670 1.00 64.34 C ATOM 1108 CD2 TYR A 186 12.712 1.503 -5.523 1.00 74.00 C ATOM 1109 CE1 TYR A 186 10.240 2.730 -5.551 1.00 25.34 C ATOM 1110 CE2 TYR A 186 11.741 1.074 -6.408 1.00 1.32 C ATOM 1111 CZ TYR A 186 10.507 1.690 -6.417 1.00 41.44 C ATOM 1112 OH TYR A 186 9.537 1.267 -7.297 1.00 0.02 O ATOM 0 H TYR A 186 15.193 5.170 -2.554 1.00 43.14 H new ATOM 0 HA TYR A 186 14.839 3.869 -5.151 1.00 53.24 H new ATOM 0 HB2 TYR A 186 14.187 2.175 -3.435 1.00 73.41 H new ATOM 0 HB3 TYR A 186 13.059 3.323 -2.743 1.00 73.41 H new ATOM 0 HD1 TYR A 186 11.005 3.968 -3.993 1.00 64.34 H new ATOM 0 HD2 TYR A 186 13.677 1.018 -5.518 1.00 74.00 H new ATOM 0 HE1 TYR A 186 9.273 3.211 -5.561 1.00 25.34 H new ATOM 0 HE2 TYR A 186 11.947 0.261 -7.089 1.00 1.32 H new ATOM 0 HH TYR A 186 9.961 0.915 -8.107 1.00 0.02 H new ATOM 1122 N CYS A 187 13.157 5.605 -5.726 1.00 23.31 N ATOM 1123 CA CYS A 187 12.318 6.734 -6.090 1.00 5.04 C ATOM 1124 C CYS A 187 10.914 6.210 -6.398 1.00 5.00 C ATOM 1125 O CYS A 187 10.729 5.195 -7.069 1.00 70.13 O ATOM 1126 CB CYS A 187 12.905 7.519 -7.264 1.00 43.34 C ATOM 1127 SG CYS A 187 11.785 8.892 -7.722 1.00 13.04 S ATOM 0 H CYS A 187 13.446 5.019 -6.509 1.00 23.31 H new ATOM 0 HA CYS A 187 12.268 7.436 -5.258 1.00 5.04 H new ATOM 0 HB2 CYS A 187 13.885 7.913 -6.995 1.00 43.34 H new ATOM 0 HB3 CYS A 187 13.051 6.857 -8.118 1.00 43.34 H new ATOM 0 HG CYS A 187 12.487 9.953 -7.991 1.00 13.04 H new ATOM 1132 N VAL A 188 9.921 6.931 -5.888 1.00 41.31 N ATOM 1133 CA VAL A 188 8.525 6.564 -6.094 1.00 24.51 C ATOM 1134 C VAL A 188 7.999 7.121 -7.411 1.00 54.33 C ATOM 1135 O VAL A 188 7.366 6.409 -8.192 1.00 10.21 O ATOM 1136 CB VAL A 188 7.636 7.069 -4.943 1.00 10.44 C ATOM 1137 CG1 VAL A 188 6.188 6.662 -5.168 1.00 31.13 C ATOM 1138 CG2 VAL A 188 8.144 6.546 -3.608 1.00 4.22 C ATOM 0 H VAL A 188 10.057 7.773 -5.329 1.00 41.31 H new ATOM 0 HA VAL A 188 8.485 5.475 -6.122 1.00 24.51 H new ATOM 0 HB VAL A 188 7.683 8.158 -4.922 1.00 10.44 H new ATOM 0 HG11 VAL A 188 5.575 7.028 -4.344 1.00 31.13 H new ATOM 0 HG12 VAL A 188 5.831 7.091 -6.104 1.00 31.13 H new ATOM 0 HG13 VAL A 188 6.119 5.575 -5.217 1.00 31.13 H new ATOM 0 HG21 VAL A 188 7.504 6.913 -2.806 1.00 4.22 H new ATOM 0 HG22 VAL A 188 8.129 5.456 -3.615 1.00 4.22 H new ATOM 0 HG23 VAL A 188 9.164 6.894 -3.445 1.00 4.22 H new ATOM 1148 N THR A 189 8.264 8.401 -7.654 1.00 51.30 N ATOM 1149 CA THR A 189 7.816 9.056 -8.877 1.00 3.02 C ATOM 1150 C THR A 189 8.224 8.257 -10.109 1.00 72.22 C ATOM 1151 O THR A 189 7.541 8.286 -11.133 1.00 42.14 O ATOM 1152 CB THR A 189 8.387 10.482 -8.992 1.00 3.03 C ATOM 1153 OG1 THR A 189 8.203 11.185 -7.758 1.00 32.43 O ATOM 1154 CG2 THR A 189 7.713 11.245 -10.122 1.00 11.54 C ATOM 0 H THR A 189 8.787 9.005 -7.020 1.00 51.30 H new ATOM 0 HA THR A 189 6.729 9.111 -8.826 1.00 3.02 H new ATOM 0 HB THR A 189 9.452 10.406 -9.211 1.00 3.03 H new ATOM 0 HG1 THR A 189 8.570 12.090 -7.839 1.00 32.43 H new ATOM 0 HG21 THR A 189 8.132 12.249 -10.184 1.00 11.54 H new ATOM 0 HG22 THR A 189 7.881 10.723 -11.064 1.00 11.54 H new ATOM 0 HG23 THR A 189 6.642 11.310 -9.929 1.00 11.54 H new ATOM 1162 N ASP A 190 9.339 7.543 -10.004 1.00 4.35 N ATOM 1163 CA ASP A 190 9.837 6.734 -11.110 1.00 30.11 C ATOM 1164 C ASP A 190 9.690 5.247 -10.804 1.00 74.43 C ATOM 1165 O ASP A 190 9.719 4.411 -11.708 1.00 44.21 O ATOM 1166 CB ASP A 190 11.303 7.066 -11.394 1.00 13.11 C ATOM 1167 CG ASP A 190 11.542 8.557 -11.535 1.00 74.54 C ATOM 1168 OD1 ASP A 190 10.558 9.298 -11.737 1.00 53.22 O ATOM 1169 OD2 ASP A 190 12.713 8.981 -11.445 1.00 52.22 O ATOM 0 H ASP A 190 9.916 7.508 -9.163 1.00 4.35 H new ATOM 0 HA ASP A 190 9.243 6.966 -11.994 1.00 30.11 H new ATOM 0 HB2 ASP A 190 11.924 6.676 -10.587 1.00 13.11 H new ATOM 0 HB3 ASP A 190 11.616 6.563 -12.309 1.00 13.11 H new ATOM 1174 N ASP A 191 9.532 4.924 -9.526 1.00 34.45 N ATOM 1175 CA ASP A 191 9.380 3.537 -9.100 1.00 74.14 C ATOM 1176 C ASP A 191 10.636 2.731 -9.416 1.00 72.10 C ATOM 1177 O ASP A 191 10.565 1.530 -9.674 1.00 73.24 O ATOM 1178 CB ASP A 191 8.167 2.902 -9.782 1.00 54.13 C ATOM 1179 CG ASP A 191 7.225 2.244 -8.793 1.00 60.21 C ATOM 1180 OD1 ASP A 191 6.527 2.976 -8.062 1.00 11.34 O ATOM 1181 OD2 ASP A 191 7.187 0.996 -8.750 1.00 11.12 O ATOM 0 H ASP A 191 9.506 5.604 -8.766 1.00 34.45 H new ATOM 0 HA ASP A 191 9.226 3.529 -8.021 1.00 74.14 H new ATOM 0 HB2 ASP A 191 7.627 3.666 -10.341 1.00 54.13 H new ATOM 0 HB3 ASP A 191 8.507 2.160 -10.504 1.00 54.13 H new ATOM 1186 N GLN A 192 11.784 3.401 -9.394 1.00 74.20 N ATOM 1187 CA GLN A 192 13.055 2.746 -9.680 1.00 11.52 C ATOM 1188 C GLN A 192 14.024 2.906 -8.513 1.00 12.31 C ATOM 1189 O GLN A 192 13.714 3.569 -7.521 1.00 63.54 O ATOM 1190 CB GLN A 192 13.674 3.322 -10.955 1.00 12.44 C ATOM 1191 CG GLN A 192 13.361 2.512 -12.202 1.00 43.33 C ATOM 1192 CD GLN A 192 14.474 2.571 -13.230 1.00 23.40 C ATOM 1193 OE1 GLN A 192 14.829 3.644 -13.718 1.00 0.24 O ATOM 1194 NE2 GLN A 192 15.032 1.413 -13.565 1.00 4.22 N ATOM 0 H GLN A 192 11.860 4.396 -9.181 1.00 74.20 H new ATOM 0 HA GLN A 192 12.863 1.683 -9.826 1.00 11.52 H new ATOM 0 HB2 GLN A 192 13.315 4.342 -11.095 1.00 12.44 H new ATOM 0 HB3 GLN A 192 14.755 3.379 -10.831 1.00 12.44 H new ATOM 0 HG2 GLN A 192 13.185 1.473 -11.922 1.00 43.33 H new ATOM 0 HG3 GLN A 192 12.438 2.882 -12.649 1.00 43.33 H new ATOM 0 HE21 GLN A 192 14.707 0.547 -13.136 1.00 4.22 H new ATOM 0 HE22 GLN A 192 15.786 1.390 -14.252 1.00 4.22 H new ATOM 1203 N LEU A 193 15.197 2.296 -8.637 1.00 21.22 N ATOM 1204 CA LEU A 193 16.212 2.370 -7.592 1.00 23.02 C ATOM 1205 C LEU A 193 17.256 3.433 -7.921 1.00 32.21 C ATOM 1206 O LEU A 193 17.540 3.697 -9.090 1.00 31.34 O ATOM 1207 CB LEU A 193 16.891 1.010 -7.415 1.00 53.41 C ATOM 1208 CG LEU A 193 16.151 0.000 -6.537 1.00 52.24 C ATOM 1209 CD1 LEU A 193 16.596 -1.417 -6.863 1.00 40.04 C ATOM 1210 CD2 LEU A 193 16.377 0.307 -5.064 1.00 65.22 C ATOM 0 H LEU A 193 15.469 1.744 -9.451 1.00 21.22 H new ATOM 0 HA LEU A 193 15.719 2.647 -6.660 1.00 23.02 H new ATOM 0 HB2 LEU A 193 17.036 0.567 -8.401 1.00 53.41 H new ATOM 0 HB3 LEU A 193 17.882 1.173 -6.991 1.00 53.41 H new ATOM 0 HG LEU A 193 15.084 0.080 -6.744 1.00 52.24 H new ATOM 0 HD11 LEU A 193 16.059 -2.122 -6.229 1.00 40.04 H new ATOM 0 HD12 LEU A 193 16.381 -1.634 -7.909 1.00 40.04 H new ATOM 0 HD13 LEU A 193 17.667 -1.512 -6.685 1.00 40.04 H new ATOM 0 HD21 LEU A 193 15.843 -0.422 -4.454 1.00 65.22 H new ATOM 0 HD22 LEU A 193 17.443 0.255 -4.841 1.00 65.22 H new ATOM 0 HD23 LEU A 193 16.007 1.308 -4.840 1.00 65.22 H new ATOM 1222 N ILE A 194 17.824 4.037 -6.883 1.00 43.43 N ATOM 1223 CA ILE A 194 18.839 5.069 -7.062 1.00 73.35 C ATOM 1224 C ILE A 194 19.862 5.036 -5.932 1.00 15.10 C ATOM 1225 O ILE A 194 19.680 4.283 -4.977 1.00 33.14 O ATOM 1226 CB ILE A 194 18.209 6.472 -7.129 1.00 53.54 C ATOM 1227 CG1 ILE A 194 17.597 6.846 -5.777 1.00 70.35 C ATOM 1228 CG2 ILE A 194 17.157 6.529 -8.227 1.00 15.13 C ATOM 1229 CD1 ILE A 194 16.968 8.221 -5.758 1.00 3.41 C ATOM 0 H ILE A 194 17.599 3.830 -5.910 1.00 43.43 H new ATOM 0 HA ILE A 194 19.339 4.859 -8.007 1.00 73.35 H new ATOM 0 HB ILE A 194 18.991 7.194 -7.364 1.00 53.54 H new ATOM 0 HG12 ILE A 194 16.842 6.106 -5.512 1.00 70.35 H new ATOM 0 HG13 ILE A 194 18.371 6.799 -5.011 1.00 70.35 H new ATOM 0 HG21 ILE A 194 16.721 7.527 -8.262 1.00 15.13 H new ATOM 0 HG22 ILE A 194 17.620 6.302 -9.187 1.00 15.13 H new ATOM 0 HG23 ILE A 194 16.375 5.798 -8.020 1.00 15.13 H new ATOM 0 HD11 ILE A 194 16.555 8.418 -4.769 1.00 3.41 H new ATOM 0 HD12 ILE A 194 17.724 8.970 -5.991 1.00 3.41 H new ATOM 0 HD13 ILE A 194 16.171 8.267 -6.500 1.00 3.41 H new ATOM 1241 N CYS A 195 20.902 5.846 -6.062 1.00 23.41 N ATOM 1242 CA CYS A 195 21.939 5.900 -5.045 1.00 42.55 C ATOM 1243 C CYS A 195 21.844 7.252 -4.335 1.00 31.15 C ATOM 1244 O CYS A 195 21.364 8.244 -4.881 1.00 41.35 O ATOM 1245 CB CYS A 195 23.329 5.666 -5.642 1.00 33.14 C ATOM 1246 SG CYS A 195 23.796 7.074 -6.713 1.00 71.00 S ATOM 0 H CYS A 195 21.049 6.470 -6.855 1.00 23.41 H new ATOM 0 HA CYS A 195 21.786 5.099 -4.322 1.00 42.55 H new ATOM 0 HB2 CYS A 195 24.061 5.547 -4.843 1.00 33.14 H new ATOM 0 HB3 CYS A 195 23.335 4.742 -6.220 1.00 33.14 H new ATOM 0 HG CYS A 195 22.778 7.419 -7.444 1.00 71.00 H new ATOM 1251 N ALA A 196 22.316 7.267 -3.092 1.00 51.53 N ATOM 1252 CA ALA A 196 22.298 8.480 -2.284 1.00 2.05 C ATOM 1253 C ALA A 196 23.022 9.622 -2.990 1.00 34.41 C ATOM 1254 O ALA A 196 22.702 10.794 -2.785 1.00 63.54 O ATOM 1255 CB ALA A 196 22.926 8.216 -0.923 1.00 43.20 C ATOM 0 H ALA A 196 22.715 6.453 -2.624 1.00 51.53 H new ATOM 0 HA ALA A 196 21.259 8.777 -2.142 1.00 2.05 H new ATOM 0 HB1 ALA A 196 22.906 9.130 -0.330 1.00 43.20 H new ATOM 0 HB2 ALA A 196 22.364 7.437 -0.408 1.00 43.20 H new ATOM 0 HB3 ALA A 196 23.958 7.892 -1.055 1.00 43.20 H new ATOM 1261 N LEU A 197 23.998 9.273 -3.821 1.00 33.12 N ATOM 1262 CA LEU A 197 24.768 10.269 -4.558 1.00 13.04 C ATOM 1263 C LEU A 197 23.921 10.911 -5.652 1.00 1.52 C ATOM 1264 O LEU A 197 24.245 12.012 -6.095 1.00 51.15 O ATOM 1265 CB LEU A 197 26.014 9.628 -5.171 1.00 74.22 C ATOM 1266 CG LEU A 197 27.067 10.594 -5.715 1.00 30.41 C ATOM 1267 CD1 LEU A 197 27.983 11.068 -4.598 1.00 4.02 C ATOM 1268 CD2 LEU A 197 27.873 9.934 -6.825 1.00 12.34 C ATOM 0 H LEU A 197 24.275 8.308 -4.001 1.00 33.12 H new ATOM 0 HA LEU A 197 25.075 11.046 -3.858 1.00 13.04 H new ATOM 0 HB2 LEU A 197 26.483 8.998 -4.415 1.00 74.22 H new ATOM 0 HB3 LEU A 197 25.699 8.971 -5.982 1.00 74.22 H new ATOM 0 HG LEU A 197 26.556 11.462 -6.131 1.00 30.41 H new ATOM 0 HD11 LEU A 197 28.726 11.755 -5.004 1.00 4.02 H new ATOM 0 HD12 LEU A 197 27.394 11.579 -3.837 1.00 4.02 H new ATOM 0 HD13 LEU A 197 28.487 10.210 -4.152 1.00 4.02 H new ATOM 0 HD21 LEU A 197 28.618 10.636 -7.201 1.00 12.34 H new ATOM 0 HD22 LEU A 197 28.374 9.048 -6.434 1.00 12.34 H new ATOM 0 HD23 LEU A 197 27.205 9.645 -7.637 1.00 12.34 H new ATOM 1280 N CYS A 198 22.866 10.220 -6.057 1.00 21.21 N ATOM 1281 CA CYS A 198 21.986 10.735 -7.092 1.00 65.45 C ATOM 1282 C CYS A 198 21.052 11.768 -6.460 1.00 24.25 C ATOM 1283 O CYS A 198 20.732 12.804 -7.043 1.00 20.40 O ATOM 1284 CB CYS A 198 21.211 9.612 -7.785 1.00 14.30 C ATOM 1285 SG CYS A 198 22.174 8.966 -9.200 1.00 64.10 S ATOM 0 H CYS A 198 22.601 9.307 -5.687 1.00 21.21 H new ATOM 0 HA CYS A 198 22.579 11.213 -7.872 1.00 65.45 H new ATOM 0 HB2 CYS A 198 21.007 8.809 -7.077 1.00 14.30 H new ATOM 0 HB3 CYS A 198 20.247 9.984 -8.131 1.00 14.30 H new ATOM 0 HG CYS A 198 23.358 8.614 -8.795 1.00 64.10 H new ATOM 1290 N LYS A 199 20.619 11.461 -5.242 1.00 14.14 N ATOM 1291 CA LYS A 199 19.723 12.343 -4.503 1.00 53.23 C ATOM 1292 C LYS A 199 20.455 13.599 -4.041 1.00 53.22 C ATOM 1293 O LYS A 199 19.840 14.645 -3.827 1.00 60.10 O ATOM 1294 CB LYS A 199 19.133 11.611 -3.296 1.00 71.41 C ATOM 1295 CG LYS A 199 17.824 12.204 -2.805 1.00 33.42 C ATOM 1296 CD LYS A 199 17.640 11.990 -1.312 1.00 21.33 C ATOM 1297 CE LYS A 199 16.751 13.062 -0.700 1.00 72.53 C ATOM 1298 NZ LYS A 199 17.461 14.364 -0.571 1.00 52.24 N ATOM 0 H LYS A 199 20.874 10.607 -4.745 1.00 14.14 H new ATOM 0 HA LYS A 199 18.914 12.640 -5.171 1.00 53.23 H new ATOM 0 HB2 LYS A 199 18.973 10.565 -3.559 1.00 71.41 H new ATOM 0 HB3 LYS A 199 19.858 11.628 -2.482 1.00 71.41 H new ATOM 0 HG2 LYS A 199 17.801 13.271 -3.026 1.00 33.42 H new ATOM 0 HG3 LYS A 199 16.993 11.749 -3.344 1.00 33.42 H new ATOM 0 HD2 LYS A 199 17.201 11.008 -1.136 1.00 21.33 H new ATOM 0 HD3 LYS A 199 18.612 11.998 -0.820 1.00 21.33 H new ATOM 0 HE2 LYS A 199 15.862 13.193 -1.317 1.00 72.53 H new ATOM 0 HE3 LYS A 199 16.411 12.735 0.283 1.00 72.53 H new ATOM 0 HZ1 LYS A 199 16.920 14.994 0.055 1.00 52.24 H new ATOM 0 HZ2 LYS A 199 18.407 14.205 -0.169 1.00 52.24 H new ATOM 0 HZ3 LYS A 199 17.553 14.804 -1.509 1.00 52.24 H new ATOM 1312 N LEU A 200 21.770 13.490 -3.891 1.00 0.13 N ATOM 1313 CA LEU A 200 22.586 14.618 -3.455 1.00 64.04 C ATOM 1314 C LEU A 200 22.841 15.583 -4.609 1.00 13.32 C ATOM 1315 O LEU A 200 22.594 16.784 -4.493 1.00 72.24 O ATOM 1316 CB LEU A 200 23.917 14.121 -2.889 1.00 24.24 C ATOM 1317 CG LEU A 200 24.651 15.084 -1.955 1.00 12.04 C ATOM 1318 CD1 LEU A 200 24.165 14.913 -0.524 1.00 2.55 C ATOM 1319 CD2 LEU A 200 26.155 14.867 -2.039 1.00 13.32 C ATOM 0 H LEU A 200 22.294 12.632 -4.065 1.00 0.13 H new ATOM 0 HA LEU A 200 22.041 15.149 -2.674 1.00 64.04 H new ATOM 0 HB2 LEU A 200 23.735 13.191 -2.350 1.00 24.24 H new ATOM 0 HB3 LEU A 200 24.577 13.882 -3.723 1.00 24.24 H new ATOM 0 HG LEU A 200 24.433 16.104 -2.272 1.00 12.04 H new ATOM 0 HD11 LEU A 200 24.698 15.606 0.127 1.00 2.55 H new ATOM 0 HD12 LEU A 200 23.096 15.119 -0.476 1.00 2.55 H new ATOM 0 HD13 LEU A 200 24.352 13.891 -0.196 1.00 2.55 H new ATOM 0 HD21 LEU A 200 26.661 15.561 -1.368 1.00 13.32 H new ATOM 0 HD22 LEU A 200 26.392 13.843 -1.748 1.00 13.32 H new ATOM 0 HD23 LEU A 200 26.491 15.041 -3.061 1.00 13.32 H new ATOM 1331 N VAL A 201 23.334 15.050 -5.722 1.00 50.21 N ATOM 1332 CA VAL A 201 23.619 15.864 -6.898 1.00 75.42 C ATOM 1333 C VAL A 201 22.409 16.705 -7.290 1.00 42.11 C ATOM 1334 O VAL A 201 22.548 17.852 -7.712 1.00 44.15 O ATOM 1335 CB VAL A 201 24.033 14.991 -8.098 1.00 30.55 C ATOM 1336 CG1 VAL A 201 24.289 15.854 -9.323 1.00 60.35 C ATOM 1337 CG2 VAL A 201 25.261 14.161 -7.753 1.00 50.32 C ATOM 0 H VAL A 201 23.544 14.058 -5.834 1.00 50.21 H new ATOM 0 HA VAL A 201 24.446 16.523 -6.634 1.00 75.42 H new ATOM 0 HB VAL A 201 23.215 14.309 -8.329 1.00 30.55 H new ATOM 0 HG11 VAL A 201 24.580 15.220 -10.160 1.00 60.35 H new ATOM 0 HG12 VAL A 201 23.381 16.400 -9.580 1.00 60.35 H new ATOM 0 HG13 VAL A 201 25.089 16.562 -9.108 1.00 60.35 H new ATOM 0 HG21 VAL A 201 25.540 13.550 -8.611 1.00 50.32 H new ATOM 0 HG22 VAL A 201 26.087 14.824 -7.495 1.00 50.32 H new ATOM 0 HG23 VAL A 201 25.036 13.514 -6.905 1.00 50.32 H new ATOM 1347 N GLY A 202 21.221 16.127 -7.146 1.00 74.54 N ATOM 1348 CA GLY A 202 20.003 16.838 -7.489 1.00 60.24 C ATOM 1349 C GLY A 202 19.104 16.037 -8.410 1.00 15.11 C ATOM 1350 O GLY A 202 17.948 16.400 -8.629 1.00 35.43 O ATOM 0 H GLY A 202 21.080 15.179 -6.798 1.00 74.54 H new ATOM 0 HA2 GLY A 202 19.459 17.081 -6.576 1.00 60.24 H new ATOM 0 HA3 GLY A 202 20.260 17.783 -7.968 1.00 60.24 H new ATOM 1354 N ARG A 203 19.635 14.946 -8.952 1.00 12.21 N ATOM 1355 CA ARG A 203 18.873 14.094 -9.856 1.00 72.35 C ATOM 1356 C ARG A 203 17.535 13.702 -9.236 1.00 71.22 C ATOM 1357 O ARG A 203 16.520 13.612 -9.928 1.00 63.23 O ATOM 1358 CB ARG A 203 19.674 12.837 -10.204 1.00 12.45 C ATOM 1359 CG ARG A 203 20.764 13.076 -11.235 1.00 4.11 C ATOM 1360 CD ARG A 203 21.646 11.849 -11.408 1.00 34.11 C ATOM 1361 NE ARG A 203 21.967 11.599 -12.811 1.00 11.15 N ATOM 1362 CZ ARG A 203 21.078 11.182 -13.705 1.00 52.32 C ATOM 1363 NH1 ARG A 203 19.820 10.970 -13.345 1.00 54.01 N ATOM 1364 NH2 ARG A 203 21.447 10.977 -14.963 1.00 53.32 N ATOM 0 H ARG A 203 20.590 14.631 -8.781 1.00 12.21 H new ATOM 0 HA ARG A 203 18.680 14.658 -10.769 1.00 72.35 H new ATOM 0 HB2 ARG A 203 20.126 12.441 -9.295 1.00 12.45 H new ATOM 0 HB3 ARG A 203 18.992 12.074 -10.579 1.00 12.45 H new ATOM 0 HG2 ARG A 203 20.311 13.337 -12.191 1.00 4.11 H new ATOM 0 HG3 ARG A 203 21.376 13.925 -10.929 1.00 4.11 H new ATOM 0 HD2 ARG A 203 22.569 11.983 -10.843 1.00 34.11 H new ATOM 0 HD3 ARG A 203 21.141 10.978 -10.991 1.00 34.11 H new ATOM 0 HE ARG A 203 22.926 11.753 -13.121 1.00 11.15 H new ATOM 0 HH11 ARG A 203 19.533 11.127 -12.379 1.00 54.01 H new ATOM 0 HH12 ARG A 203 19.139 10.650 -14.034 1.00 54.01 H new ATOM 0 HH21 ARG A 203 22.414 11.140 -15.244 1.00 53.32 H new ATOM 0 HH22 ARG A 203 20.764 10.657 -15.649 1.00 53.32 H new ATOM 1378 N HIS A 204 17.541 13.469 -7.927 1.00 73.05 N ATOM 1379 CA HIS A 204 16.328 13.087 -7.214 1.00 34.44 C ATOM 1380 C HIS A 204 16.218 13.835 -5.889 1.00 0.14 C ATOM 1381 O HIS A 204 16.010 13.229 -4.838 1.00 32.24 O ATOM 1382 CB HIS A 204 16.312 11.578 -6.963 1.00 53.35 C ATOM 1383 CG HIS A 204 16.335 10.763 -8.219 1.00 65.44 C ATOM 1384 ND1 HIS A 204 15.195 10.269 -8.818 1.00 44.41 N ATOM 1385 CD2 HIS A 204 17.370 10.356 -8.991 1.00 62.34 C ATOM 1386 CE1 HIS A 204 15.528 9.593 -9.903 1.00 30.10 C ATOM 1387 NE2 HIS A 204 16.842 9.631 -10.031 1.00 60.40 N ATOM 0 H HIS A 204 18.372 13.538 -7.339 1.00 73.05 H new ATOM 0 HA HIS A 204 15.473 13.354 -7.834 1.00 34.44 H new ATOM 0 HB2 HIS A 204 17.173 11.311 -6.350 1.00 53.35 H new ATOM 0 HB3 HIS A 204 15.421 11.322 -6.390 1.00 53.35 H new ATOM 0 HD1 HIS A 204 14.243 10.404 -8.477 1.00 44.41 H new ATOM 0 HD2 HIS A 204 18.416 10.563 -8.821 1.00 62.34 H new ATOM 0 HE1 HIS A 204 14.842 9.094 -10.572 1.00 30.10 H new ATOM 1394 N ARG A 205 16.361 15.155 -5.947 1.00 15.12 N ATOM 1395 CA ARG A 205 16.280 15.986 -4.751 1.00 74.33 C ATOM 1396 C ARG A 205 14.829 16.328 -4.425 1.00 0.35 C ATOM 1397 O ARG A 205 14.361 16.094 -3.310 1.00 62.11 O ATOM 1398 CB ARG A 205 17.088 17.270 -4.941 1.00 51.54 C ATOM 1399 CG ARG A 205 18.373 17.307 -4.130 1.00 14.52 C ATOM 1400 CD ARG A 205 18.921 18.721 -4.020 1.00 5.42 C ATOM 1401 NE ARG A 205 18.060 19.582 -3.214 1.00 32.25 N ATOM 1402 CZ ARG A 205 18.413 20.793 -2.798 1.00 54.10 C ATOM 1403 NH1 ARG A 205 19.604 21.284 -3.112 1.00 14.45 N ATOM 1404 NH2 ARG A 205 17.573 21.516 -2.068 1.00 2.04 N ATOM 0 H ARG A 205 16.533 15.672 -6.809 1.00 15.12 H new ATOM 0 HA ARG A 205 16.699 15.422 -3.917 1.00 74.33 H new ATOM 0 HB2 ARG A 205 17.332 17.383 -5.997 1.00 51.54 H new ATOM 0 HB3 ARG A 205 16.469 18.123 -4.664 1.00 51.54 H new ATOM 0 HG2 ARG A 205 18.187 16.909 -3.132 1.00 14.52 H new ATOM 0 HG3 ARG A 205 19.118 16.662 -4.596 1.00 14.52 H new ATOM 0 HD2 ARG A 205 19.917 18.690 -3.579 1.00 5.42 H new ATOM 0 HD3 ARG A 205 19.027 19.147 -5.018 1.00 5.42 H new ATOM 0 HE ARG A 205 17.136 19.234 -2.956 1.00 32.25 H new ATOM 0 HH11 ARG A 205 20.251 20.731 -3.674 1.00 14.45 H new ATOM 0 HH12 ARG A 205 19.873 22.214 -2.791 1.00 14.45 H new ATOM 0 HH21 ARG A 205 16.656 21.142 -1.826 1.00 2.04 H new ATOM 0 HH22 ARG A 205 17.845 22.446 -1.749 1.00 2.04 H new ATOM 1418 N ASP A 206 14.123 16.884 -5.403 1.00 2.51 N ATOM 1419 CA ASP A 206 12.726 17.259 -5.220 1.00 52.10 C ATOM 1420 C ASP A 206 11.824 16.029 -5.258 1.00 1.24 C ATOM 1421 O ASP A 206 10.621 16.121 -5.013 1.00 13.04 O ATOM 1422 CB ASP A 206 12.297 18.254 -6.299 1.00 50.43 C ATOM 1423 CG ASP A 206 11.265 19.245 -5.796 1.00 45.13 C ATOM 1424 OD1 ASP A 206 11.325 19.609 -4.603 1.00 70.43 O ATOM 1425 OD2 ASP A 206 10.398 19.656 -6.596 1.00 1.45 O ATOM 0 H ASP A 206 14.495 17.085 -6.331 1.00 2.51 H new ATOM 0 HA ASP A 206 12.627 17.730 -4.242 1.00 52.10 H new ATOM 0 HB2 ASP A 206 13.172 18.796 -6.658 1.00 50.43 H new ATOM 0 HB3 ASP A 206 11.888 17.709 -7.150 1.00 50.43 H new ATOM 1430 N HIS A 207 12.414 14.879 -5.567 1.00 35.30 N ATOM 1431 CA HIS A 207 11.663 13.630 -5.637 1.00 62.12 C ATOM 1432 C HIS A 207 11.392 13.079 -4.240 1.00 43.43 C ATOM 1433 O HIS A 207 12.056 13.458 -3.275 1.00 55.13 O ATOM 1434 CB HIS A 207 12.428 12.597 -6.466 1.00 34.13 C ATOM 1435 CG HIS A 207 12.251 12.765 -7.943 1.00 43.15 C ATOM 1436 ND1 HIS A 207 12.667 11.825 -8.863 1.00 11.12 N ATOM 1437 CD2 HIS A 207 11.699 13.772 -8.660 1.00 73.43 C ATOM 1438 CE1 HIS A 207 12.379 12.247 -10.081 1.00 62.12 C ATOM 1439 NE2 HIS A 207 11.791 13.426 -9.986 1.00 33.40 N ATOM 0 H HIS A 207 13.409 14.786 -5.773 1.00 35.30 H new ATOM 0 HA HIS A 207 10.707 13.836 -6.118 1.00 62.12 H new ATOM 0 HB2 HIS A 207 13.489 12.664 -6.226 1.00 34.13 H new ATOM 0 HB3 HIS A 207 12.099 11.598 -6.180 1.00 34.13 H new ATOM 0 HD2 HIS A 207 11.267 14.679 -8.263 1.00 73.43 H new ATOM 0 HE1 HIS A 207 12.589 11.718 -10.999 1.00 62.12 H new ATOM 0 HE2 HIS A 207 11.459 13.988 -10.770 1.00 33.40 H new ATOM 1446 N GLN A 208 10.414 12.185 -4.141 1.00 50.32 N ATOM 1447 CA GLN A 208 10.055 11.585 -2.862 1.00 23.32 C ATOM 1448 C GLN A 208 10.573 10.153 -2.768 1.00 50.23 C ATOM 1449 O GLN A 208 10.020 9.241 -3.382 1.00 73.41 O ATOM 1450 CB GLN A 208 8.537 11.604 -2.673 1.00 5.20 C ATOM 1451 CG GLN A 208 8.103 11.449 -1.225 1.00 14.44 C ATOM 1452 CD GLN A 208 6.652 11.030 -1.092 1.00 72.05 C ATOM 1453 OE1 GLN A 208 6.311 9.862 -1.284 1.00 3.20 O ATOM 1454 NE2 GLN A 208 5.787 11.983 -0.763 1.00 64.24 N ATOM 0 H GLN A 208 9.856 11.860 -4.931 1.00 50.32 H new ATOM 0 HA GLN A 208 10.520 12.173 -2.071 1.00 23.32 H new ATOM 0 HB2 GLN A 208 8.142 12.542 -3.064 1.00 5.20 H new ATOM 0 HB3 GLN A 208 8.095 10.802 -3.264 1.00 5.20 H new ATOM 0 HG2 GLN A 208 8.737 10.709 -0.737 1.00 14.44 H new ATOM 0 HG3 GLN A 208 8.254 12.393 -0.701 1.00 14.44 H new ATOM 0 HE21 GLN A 208 6.113 12.938 -0.613 1.00 64.24 H new ATOM 0 HE22 GLN A 208 4.797 11.760 -0.660 1.00 64.24 H new ATOM 1463 N VAL A 209 11.638 9.964 -1.996 1.00 65.45 N ATOM 1464 CA VAL A 209 12.231 8.643 -1.822 1.00 33.21 C ATOM 1465 C VAL A 209 12.033 8.136 -0.398 1.00 34.50 C ATOM 1466 O VAL A 209 11.512 8.849 0.459 1.00 23.12 O ATOM 1467 CB VAL A 209 13.737 8.656 -2.146 1.00 35.43 C ATOM 1468 CG1 VAL A 209 13.970 9.098 -3.582 1.00 42.21 C ATOM 1469 CG2 VAL A 209 14.482 9.557 -1.173 1.00 64.14 C ATOM 0 H VAL A 209 12.108 10.709 -1.481 1.00 65.45 H new ATOM 0 HA VAL A 209 11.724 7.974 -2.517 1.00 33.21 H new ATOM 0 HB VAL A 209 14.124 7.643 -2.037 1.00 35.43 H new ATOM 0 HG11 VAL A 209 15.039 9.101 -3.793 1.00 42.21 H new ATOM 0 HG12 VAL A 209 13.468 8.408 -4.261 1.00 42.21 H new ATOM 0 HG13 VAL A 209 13.569 10.102 -3.723 1.00 42.21 H new ATOM 0 HG21 VAL A 209 15.545 9.555 -1.416 1.00 64.14 H new ATOM 0 HG22 VAL A 209 14.095 10.573 -1.248 1.00 64.14 H new ATOM 0 HG23 VAL A 209 14.341 9.190 -0.156 1.00 64.14 H new ATOM 1479 N ALA A 210 12.452 6.898 -0.153 1.00 14.42 N ATOM 1480 CA ALA A 210 12.323 6.296 1.168 1.00 33.12 C ATOM 1481 C ALA A 210 13.689 5.948 1.749 1.00 62.45 C ATOM 1482 O ALA A 210 14.461 5.206 1.141 1.00 3.41 O ATOM 1483 CB ALA A 210 11.445 5.055 1.099 1.00 13.21 C ATOM 0 H ALA A 210 12.883 6.293 -0.852 1.00 14.42 H new ATOM 0 HA ALA A 210 11.852 7.025 1.828 1.00 33.12 H new ATOM 0 HB1 ALA A 210 11.357 4.616 2.093 1.00 13.21 H new ATOM 0 HB2 ALA A 210 10.455 5.330 0.735 1.00 13.21 H new ATOM 0 HB3 ALA A 210 11.893 4.330 0.420 1.00 13.21 H new ATOM 1489 N ALA A 211 13.982 6.488 2.927 1.00 35.41 N ATOM 1490 CA ALA A 211 15.255 6.233 3.590 1.00 74.54 C ATOM 1491 C ALA A 211 15.123 5.116 4.620 1.00 42.00 C ATOM 1492 O ALA A 211 14.696 5.349 5.752 1.00 73.45 O ATOM 1493 CB ALA A 211 15.771 7.503 4.248 1.00 13.24 C ATOM 0 H ALA A 211 13.355 7.105 3.442 1.00 35.41 H new ATOM 0 HA ALA A 211 15.972 5.912 2.835 1.00 74.54 H new ATOM 0 HB1 ALA A 211 16.722 7.298 4.739 1.00 13.24 H new ATOM 0 HB2 ALA A 211 15.913 8.274 3.490 1.00 13.24 H new ATOM 0 HB3 ALA A 211 15.048 7.849 4.987 1.00 13.24 H new