USER MOD reduce.3.24.130724 H: found=0, std=0, add=599, rem=0, adj=20 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 187 CYS SG : rot 139:sc= 0.725 USER MOD Set 1.2: A 204 HIS : no HE2:sc= -0.283 K(o=1.4,f=-2.8!) USER MOD Set 1.3: A 207 HIS : no HD1:sc= 0.935 K(o=1.4,f=-6.7!) USER MOD Set 2.1: A 175 CYS SG : rot 153:sc= 0.18 USER MOD Set 2.2: A 178 HIS : no HD1:sc= -1.04 K(o=-0.25,f=0.28) USER MOD Set 2.3: A 195 CYS SG : rot 180:sc= 0.249 USER MOD Set 2.4: A 198 CYS SG : rot 83:sc= 0.363 USER MOD Set 3.1: A 134 CYS SG : rot 36:sc= 0.779 USER MOD Set 3.2: A 136 THR OG1 : rot -113:sc= -0.22 USER MOD Set 3.3: A 137 CYS SG : rot 180:sc= 0 USER MOD Set 3.4: A 149 THR OG1 : rot 180:sc= 0 USER MOD Set 3.5: A 150 HIS : no HD1:sc= -1.46! C(o=-1.3!,f=-8.7!) USER MOD Set 3.6: A 159 HIS : no HE2:sc= -0.389! C(o=-1.3!,f=-11!) USER MOD Set 4.1: A 133 THR OG1 : rot 89:sc= 0.631 USER MOD Set 4.2: A 140 SER OG : rot 60:sc= 1.27 USER MOD Set 5.1: A 119 CYS SG : rot -158:sc= -0.0444 USER MOD Set 5.2: A 122 CYS SG : rot 35:sc= 0.216 USER MOD Set 5.3: A 124 GLN : amide:sc= 0 X(o=2.4,f=2.4) USER MOD Set 5.4: A 128 GLN : amide:sc= 0.578 K(o=2.4,f=0.53) USER MOD Set 5.5: A 142 CYS SG : rot 140:sc= 0.637 USER MOD Set 5.6: A 145 CYS SG : rot -152:sc= 1.06 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 GLN : amide:sc= 0 X(o=0,f=-0.0019) USER MOD Single : A 132 LYS NZ :NH3+ -161:sc= -0.18 (180deg=-0.723) USER MOD Single : A 141 TYR OH : rot 180:sc= -0.0613 USER MOD Single : A 147 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 174 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 182 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 184 ASN : amide:sc= -0.296 X(o=-0.3,f=-0.31) USER MOD Single : A 185 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 186 TYR OH : rot -11:sc= -0.23 USER MOD Single : A 189 THR OG1 : rot 180:sc= 0 USER MOD Single : A 192 GLN : amide:sc= -2.08 K(o=-2.1,f=-2.6!) USER MOD Single : A 199 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 208 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD ----------------------------------------------------------------- ATOM 26 N LYS A 116 3.332 1.702 -4.723 1.00 33.35 N ATOM 27 CA LYS A 116 4.092 1.999 -5.931 1.00 32.51 C ATOM 28 C LYS A 116 3.262 2.829 -6.905 1.00 64.22 C ATOM 29 O LYS A 116 2.081 3.082 -6.671 1.00 75.21 O ATOM 30 CB LYS A 116 4.543 0.701 -6.606 1.00 2.33 C ATOM 31 CG LYS A 116 5.882 0.189 -6.104 1.00 61.30 C ATOM 32 CD LYS A 116 6.068 -1.286 -6.418 1.00 74.41 C ATOM 33 CE LYS A 116 7.532 -1.628 -6.644 1.00 25.34 C ATOM 34 NZ LYS A 116 7.717 -3.057 -7.020 1.00 30.34 N ATOM 0 HA LYS A 116 4.971 2.577 -5.645 1.00 32.51 H new ATOM 0 HB2 LYS A 116 3.786 -0.066 -6.443 1.00 2.33 H new ATOM 0 HB3 LYS A 116 4.606 0.863 -7.682 1.00 2.33 H new ATOM 0 HG2 LYS A 116 6.687 0.764 -6.562 1.00 61.30 H new ATOM 0 HG3 LYS A 116 5.952 0.344 -5.027 1.00 61.30 H new ATOM 0 HD2 LYS A 116 5.676 -1.886 -5.597 1.00 74.41 H new ATOM 0 HD3 LYS A 116 5.492 -1.545 -7.306 1.00 74.41 H new ATOM 0 HE2 LYS A 116 7.937 -0.991 -7.430 1.00 25.34 H new ATOM 0 HE3 LYS A 116 8.099 -1.415 -5.738 1.00 25.34 H new ATOM 0 HZ1 LYS A 116 8.729 -3.250 -7.165 1.00 30.34 H new ATOM 0 HZ2 LYS A 116 7.354 -3.666 -6.259 1.00 30.34 H new ATOM 0 HZ3 LYS A 116 7.197 -3.255 -7.899 1.00 30.34 H new ATOM 48 N VAL A 117 3.889 3.249 -8.000 1.00 12.34 N ATOM 49 CA VAL A 117 3.208 4.049 -9.011 1.00 34.21 C ATOM 50 C VAL A 117 2.776 3.188 -10.193 1.00 44.21 C ATOM 51 O VAL A 117 3.531 2.335 -10.662 1.00 32.21 O ATOM 52 CB VAL A 117 4.106 5.191 -9.522 1.00 13.00 C ATOM 53 CG1 VAL A 117 5.284 4.634 -10.307 1.00 15.01 C ATOM 54 CG2 VAL A 117 3.300 6.162 -10.371 1.00 51.43 C ATOM 0 H VAL A 117 4.867 3.048 -8.209 1.00 12.34 H new ATOM 0 HA VAL A 117 2.326 4.477 -8.535 1.00 34.21 H new ATOM 0 HB VAL A 117 4.498 5.734 -8.662 1.00 13.00 H new ATOM 0 HG11 VAL A 117 5.907 5.456 -10.660 1.00 15.01 H new ATOM 0 HG12 VAL A 117 5.874 3.982 -9.664 1.00 15.01 H new ATOM 0 HG13 VAL A 117 4.916 4.065 -11.161 1.00 15.01 H new ATOM 0 HG21 VAL A 117 3.950 6.963 -10.724 1.00 51.43 H new ATOM 0 HG22 VAL A 117 2.878 5.634 -11.226 1.00 51.43 H new ATOM 0 HG23 VAL A 117 2.494 6.586 -9.772 1.00 51.43 H new ATOM 64 N LEU A 118 1.559 3.418 -10.672 1.00 33.02 N ATOM 65 CA LEU A 118 1.026 2.664 -11.801 1.00 72.12 C ATOM 66 C LEU A 118 1.420 3.313 -13.124 1.00 53.30 C ATOM 67 O LEU A 118 1.512 4.538 -13.190 1.00 13.24 O ATOM 68 CB LEU A 118 -0.497 2.566 -11.701 1.00 55.44 C ATOM 69 CG LEU A 118 -1.041 1.641 -10.612 1.00 41.02 C ATOM 70 CD1 LEU A 118 -2.293 2.233 -9.984 1.00 51.34 C ATOM 71 CD2 LEU A 118 -1.330 0.260 -11.181 1.00 63.43 C ATOM 0 H LEU A 118 0.922 4.121 -10.296 1.00 33.02 H new ATOM 0 HA LEU A 118 1.451 1.661 -11.769 1.00 72.12 H new ATOM 0 HB2 LEU A 118 -0.895 3.567 -11.532 1.00 55.44 H new ATOM 0 HB3 LEU A 118 -0.883 2.228 -12.663 1.00 55.44 H new ATOM 0 HG LEU A 118 -0.283 1.541 -9.835 1.00 41.02 H new ATOM 0 HD11 LEU A 118 -2.665 1.560 -9.211 1.00 51.34 H new ATOM 0 HD12 LEU A 118 -2.055 3.200 -9.540 1.00 51.34 H new ATOM 0 HD13 LEU A 118 -3.057 2.364 -10.750 1.00 51.34 H new ATOM 0 HD21 LEU A 118 -1.716 -0.385 -10.392 1.00 63.43 H new ATOM 0 HD22 LEU A 118 -2.070 0.342 -11.977 1.00 63.43 H new ATOM 0 HD23 LEU A 118 -0.411 -0.168 -11.582 1.00 63.43 H new ATOM 83 N CYS A 119 1.639 2.489 -14.138 1.00 21.13 N ATOM 84 CA CYS A 119 2.018 2.995 -15.446 1.00 12.51 C ATOM 85 C CYS A 119 0.973 4.024 -15.884 1.00 32.42 C ATOM 86 O CYS A 119 -0.151 3.691 -16.260 1.00 65.24 O ATOM 87 CB CYS A 119 2.171 1.866 -16.467 1.00 54.52 C ATOM 88 SG CYS A 119 2.879 2.521 -18.022 1.00 41.13 S ATOM 0 H CYS A 119 1.561 1.474 -14.080 1.00 21.13 H new ATOM 0 HA CYS A 119 2.995 3.474 -15.384 1.00 12.51 H new ATOM 0 HB2 CYS A 119 2.816 1.085 -16.064 1.00 54.52 H new ATOM 0 HB3 CYS A 119 1.201 1.408 -16.664 1.00 54.52 H new ATOM 0 HG CYS A 119 2.579 1.725 -19.005 1.00 41.13 H new ATOM 93 N GLN A 120 1.372 5.290 -15.825 1.00 51.03 N ATOM 94 CA GLN A 120 0.491 6.387 -16.209 1.00 33.41 C ATOM 95 C GLN A 120 0.157 6.322 -17.696 1.00 3.43 C ATOM 96 O GLN A 120 -0.854 6.866 -18.140 1.00 33.13 O ATOM 97 CB GLN A 120 1.141 7.731 -15.877 1.00 52.04 C ATOM 98 CG GLN A 120 0.155 8.887 -15.827 1.00 2.33 C ATOM 99 CD GLN A 120 0.810 10.195 -15.429 1.00 1.33 C ATOM 100 OE1 GLN A 120 1.439 10.293 -14.375 1.00 20.54 O ATOM 101 NE2 GLN A 120 0.666 11.211 -16.272 1.00 71.44 N ATOM 0 H GLN A 120 2.299 5.582 -15.515 1.00 51.03 H new ATOM 0 HA GLN A 120 -0.436 6.291 -15.643 1.00 33.41 H new ATOM 0 HB2 GLN A 120 1.646 7.653 -14.914 1.00 52.04 H new ATOM 0 HB3 GLN A 120 1.906 7.949 -16.622 1.00 52.04 H new ATOM 0 HG2 GLN A 120 -0.314 9.002 -16.804 1.00 2.33 H new ATOM 0 HG3 GLN A 120 -0.639 8.652 -15.118 1.00 2.33 H new ATOM 0 HE21 GLN A 120 0.137 11.087 -17.135 1.00 71.44 H new ATOM 0 HE22 GLN A 120 1.085 12.116 -16.057 1.00 71.44 H new ATOM 110 N PHE A 121 1.015 5.655 -18.461 1.00 53.10 N ATOM 111 CA PHE A 121 0.812 5.521 -19.899 1.00 11.01 C ATOM 112 C PHE A 121 0.285 4.132 -20.247 1.00 23.24 C ATOM 113 O PHE A 121 0.705 3.563 -21.253 1.00 73.42 O ATOM 114 CB PHE A 121 2.120 5.785 -20.647 1.00 25.33 C ATOM 115 CG PHE A 121 1.937 6.557 -21.922 1.00 21.02 C ATOM 116 CD1 PHE A 121 1.358 7.816 -21.908 1.00 22.32 C ATOM 117 CD2 PHE A 121 2.343 6.024 -23.135 1.00 21.14 C ATOM 118 CE1 PHE A 121 1.188 8.529 -23.079 1.00 43.34 C ATOM 119 CE2 PHE A 121 2.176 6.733 -24.309 1.00 62.22 C ATOM 120 CZ PHE A 121 1.597 7.986 -24.282 1.00 10.53 C ATOM 0 H PHE A 121 1.857 5.199 -18.109 1.00 53.10 H new ATOM 0 HA PHE A 121 0.071 6.259 -20.206 1.00 11.01 H new ATOM 0 HB2 PHE A 121 2.798 6.334 -19.994 1.00 25.33 H new ATOM 0 HB3 PHE A 121 2.598 4.832 -20.874 1.00 25.33 H new ATOM 0 HD1 PHE A 121 1.036 8.245 -20.971 1.00 22.32 H new ATOM 0 HD2 PHE A 121 2.795 5.044 -23.163 1.00 21.14 H new ATOM 0 HE1 PHE A 121 0.736 9.510 -23.054 1.00 43.34 H new ATOM 0 HE2 PHE A 121 2.498 6.307 -25.248 1.00 62.22 H new ATOM 0 HZ PHE A 121 1.464 8.541 -25.199 1.00 10.53 H new ATOM 130 N CYS A 122 -0.612 3.622 -19.415 1.00 42.42 N ATOM 131 CA CYS A 122 -1.183 2.306 -19.645 1.00 42.22 C ATOM 132 C CYS A 122 -2.679 2.473 -19.917 1.00 72.45 C ATOM 133 O CYS A 122 -3.368 3.288 -19.303 1.00 65.31 O ATOM 134 CB CYS A 122 -0.918 1.362 -18.471 1.00 70.40 C ATOM 135 SG CYS A 122 0.154 -0.021 -19.009 1.00 52.41 S ATOM 0 H CYS A 122 -0.957 4.097 -18.581 1.00 42.42 H new ATOM 0 HA CYS A 122 -0.707 1.846 -20.511 1.00 42.22 H new ATOM 0 HB2 CYS A 122 -0.441 1.907 -17.656 1.00 70.40 H new ATOM 0 HB3 CYS A 122 -1.861 0.974 -18.086 1.00 70.40 H new ATOM 0 HG CYS A 122 1.008 0.409 -19.890 1.00 52.41 H new ATOM 140 N ASP A 123 -3.170 1.676 -20.860 1.00 33.41 N ATOM 141 CA ASP A 123 -4.579 1.712 -21.235 1.00 12.54 C ATOM 142 C ASP A 123 -5.176 0.309 -21.242 1.00 75.21 C ATOM 143 O ASP A 123 -5.872 -0.074 -22.183 1.00 24.54 O ATOM 144 CB ASP A 123 -4.746 2.359 -22.611 1.00 32.43 C ATOM 145 CG ASP A 123 -6.128 2.951 -22.809 1.00 22.44 C ATOM 146 OD1 ASP A 123 -7.032 2.626 -22.011 1.00 14.43 O ATOM 147 OD2 ASP A 123 -6.304 3.739 -23.761 1.00 33.22 O ATOM 0 H ASP A 123 -2.613 0.997 -21.379 1.00 33.41 H new ATOM 0 HA ASP A 123 -5.111 2.309 -20.495 1.00 12.54 H new ATOM 0 HB2 ASP A 123 -3.998 3.142 -22.734 1.00 32.43 H new ATOM 0 HB3 ASP A 123 -4.559 1.614 -23.385 1.00 32.43 H new ATOM 152 N GLN A 124 -4.899 -0.452 -20.188 1.00 73.55 N ATOM 153 CA GLN A 124 -5.408 -1.814 -20.076 1.00 30.35 C ATOM 154 C GLN A 124 -6.750 -1.836 -19.351 1.00 40.32 C ATOM 155 O GLN A 124 -7.715 -2.433 -19.828 1.00 64.55 O ATOM 156 CB GLN A 124 -4.402 -2.697 -19.336 1.00 24.51 C ATOM 157 CG GLN A 124 -3.387 -3.363 -20.252 1.00 53.41 C ATOM 158 CD GLN A 124 -2.160 -3.851 -19.508 1.00 11.53 C ATOM 159 OE1 GLN A 124 -1.138 -3.166 -19.457 1.00 22.13 O ATOM 160 NE2 GLN A 124 -2.255 -5.040 -18.925 1.00 0.24 N ATOM 0 H GLN A 124 -4.326 -0.149 -19.401 1.00 73.55 H new ATOM 0 HA GLN A 124 -5.553 -2.205 -21.083 1.00 30.35 H new ATOM 0 HB2 GLN A 124 -3.873 -2.092 -18.600 1.00 24.51 H new ATOM 0 HB3 GLN A 124 -4.943 -3.467 -18.786 1.00 24.51 H new ATOM 0 HG2 GLN A 124 -3.858 -4.205 -20.759 1.00 53.41 H new ATOM 0 HG3 GLN A 124 -3.082 -2.657 -21.024 1.00 53.41 H new ATOM 0 HE21 GLN A 124 -3.122 -5.574 -18.993 1.00 0.24 H new ATOM 0 HE22 GLN A 124 -1.461 -5.420 -18.409 1.00 0.24 H new ATOM 169 N ASP A 125 -6.804 -1.181 -18.197 1.00 1.52 N ATOM 170 CA ASP A 125 -8.028 -1.124 -17.406 1.00 52.34 C ATOM 171 C ASP A 125 -8.442 -2.517 -16.944 1.00 63.41 C ATOM 172 O ASP A 125 -9.232 -3.204 -17.592 1.00 12.11 O ATOM 173 CB ASP A 125 -9.156 -0.487 -18.219 1.00 53.15 C ATOM 174 CG ASP A 125 -9.461 0.930 -17.776 1.00 0.43 C ATOM 175 OD1 ASP A 125 -9.679 1.139 -16.564 1.00 2.23 O ATOM 176 OD2 ASP A 125 -9.481 1.831 -18.640 1.00 43.03 O ATOM 0 H ASP A 125 -6.014 -0.682 -17.788 1.00 1.52 H new ATOM 0 HA ASP A 125 -7.834 -0.512 -16.525 1.00 52.34 H new ATOM 0 HB2 ASP A 125 -8.882 -0.484 -19.274 1.00 53.15 H new ATOM 0 HB3 ASP A 125 -10.056 -1.095 -18.125 1.00 53.15 H new ATOM 181 N PRO A 126 -7.895 -2.947 -15.797 1.00 62.33 N ATOM 182 CA PRO A 126 -6.952 -2.139 -15.018 1.00 32.10 C ATOM 183 C PRO A 126 -5.606 -1.985 -15.716 1.00 44.34 C ATOM 184 O PRO A 126 -5.243 -2.792 -16.571 1.00 61.31 O ATOM 185 CB PRO A 126 -6.793 -2.934 -13.719 1.00 50.33 C ATOM 186 CG PRO A 126 -7.110 -4.340 -14.095 1.00 20.15 C ATOM 187 CD PRO A 126 -8.154 -4.256 -15.173 1.00 50.34 C ATOM 0 HA PRO A 126 -7.313 -1.121 -14.870 1.00 32.10 H new ATOM 0 HB2 PRO A 126 -5.781 -2.848 -13.324 1.00 50.33 H new ATOM 0 HB3 PRO A 126 -7.469 -2.569 -12.946 1.00 50.33 H new ATOM 0 HG2 PRO A 126 -6.220 -4.858 -14.453 1.00 20.15 H new ATOM 0 HG3 PRO A 126 -7.480 -4.899 -13.236 1.00 20.15 H new ATOM 0 HD2 PRO A 126 -8.056 -5.070 -15.891 1.00 50.34 H new ATOM 0 HD3 PRO A 126 -9.162 -4.313 -14.762 1.00 50.34 H new ATOM 195 N ALA A 127 -4.868 -0.943 -15.347 1.00 14.54 N ATOM 196 CA ALA A 127 -3.561 -0.684 -15.936 1.00 64.21 C ATOM 197 C ALA A 127 -2.469 -1.469 -15.216 1.00 52.02 C ATOM 198 O ALA A 127 -2.724 -2.110 -14.197 1.00 64.21 O ATOM 199 CB ALA A 127 -3.252 0.805 -15.903 1.00 3.31 C ATOM 0 H ALA A 127 -5.154 -0.264 -14.642 1.00 14.54 H new ATOM 0 HA ALA A 127 -3.586 -1.015 -16.974 1.00 64.21 H new ATOM 0 HB1 ALA A 127 -2.272 0.983 -16.346 1.00 3.31 H new ATOM 0 HB2 ALA A 127 -4.010 1.347 -16.469 1.00 3.31 H new ATOM 0 HB3 ALA A 127 -3.252 1.154 -14.870 1.00 3.31 H new ATOM 205 N GLN A 128 -1.255 -1.414 -15.754 1.00 2.25 N ATOM 206 CA GLN A 128 -0.125 -2.121 -15.162 1.00 34.31 C ATOM 207 C GLN A 128 0.698 -1.190 -14.279 1.00 4.11 C ATOM 208 O GLN A 128 0.378 -0.010 -14.136 1.00 1.21 O ATOM 209 CB GLN A 128 0.759 -2.720 -16.257 1.00 40.32 C ATOM 210 CG GLN A 128 1.050 -4.199 -16.064 1.00 31.23 C ATOM 211 CD GLN A 128 2.229 -4.675 -16.889 1.00 5.24 C ATOM 212 OE1 GLN A 128 2.772 -3.929 -17.704 1.00 63.13 O ATOM 213 NE2 GLN A 128 2.633 -5.923 -16.680 1.00 43.51 N ATOM 0 H GLN A 128 -1.029 -0.888 -16.598 1.00 2.25 H new ATOM 0 HA GLN A 128 -0.518 -2.926 -14.541 1.00 34.31 H new ATOM 0 HB2 GLN A 128 0.274 -2.577 -17.223 1.00 40.32 H new ATOM 0 HB3 GLN A 128 1.702 -2.174 -16.290 1.00 40.32 H new ATOM 0 HG2 GLN A 128 1.248 -4.392 -15.010 1.00 31.23 H new ATOM 0 HG3 GLN A 128 0.166 -4.777 -16.333 1.00 31.23 H new ATOM 0 HE21 GLN A 128 2.153 -6.506 -15.994 1.00 43.51 H new ATOM 0 HE22 GLN A 128 3.423 -6.298 -17.205 1.00 43.51 H new ATOM 222 N ASP A 129 1.760 -1.728 -13.689 1.00 0.12 N ATOM 223 CA ASP A 129 2.631 -0.945 -12.820 1.00 13.41 C ATOM 224 C ASP A 129 3.943 -0.611 -13.523 1.00 55.23 C ATOM 225 O ASP A 129 4.437 -1.389 -14.338 1.00 21.42 O ATOM 226 CB ASP A 129 2.912 -1.706 -11.524 1.00 21.23 C ATOM 227 CG ASP A 129 3.259 -3.161 -11.771 1.00 33.23 C ATOM 228 OD1 ASP A 129 2.327 -3.989 -11.841 1.00 34.12 O ATOM 229 OD2 ASP A 129 4.462 -3.472 -11.893 1.00 62.42 O ATOM 0 H ASP A 129 2.038 -2.703 -13.797 1.00 0.12 H new ATOM 0 HA ASP A 129 2.120 -0.012 -12.581 1.00 13.41 H new ATOM 0 HB2 ASP A 129 3.734 -1.224 -10.994 1.00 21.23 H new ATOM 0 HB3 ASP A 129 2.038 -1.649 -10.876 1.00 21.23 H new ATOM 234 N ALA A 130 4.500 0.552 -13.204 1.00 2.44 N ATOM 235 CA ALA A 130 5.755 0.989 -13.804 1.00 33.20 C ATOM 236 C ALA A 130 6.949 0.343 -13.110 1.00 3.30 C ATOM 237 O ALA A 130 7.096 0.435 -11.891 1.00 71.31 O ATOM 238 CB ALA A 130 5.866 2.505 -13.750 1.00 4.34 C ATOM 0 H ALA A 130 4.102 1.209 -12.533 1.00 2.44 H new ATOM 0 HA ALA A 130 5.760 0.673 -14.847 1.00 33.20 H new ATOM 0 HB1 ALA A 130 6.808 2.817 -14.201 1.00 4.34 H new ATOM 0 HB2 ALA A 130 5.036 2.950 -14.298 1.00 4.34 H new ATOM 0 HB3 ALA A 130 5.834 2.835 -12.712 1.00 4.34 H new ATOM 244 N VAL A 131 7.801 -0.310 -13.894 1.00 30.42 N ATOM 245 CA VAL A 131 8.983 -0.971 -13.354 1.00 64.24 C ATOM 246 C VAL A 131 10.257 -0.245 -13.771 1.00 42.31 C ATOM 247 O VAL A 131 11.291 -0.351 -13.111 1.00 33.34 O ATOM 248 CB VAL A 131 9.067 -2.438 -13.817 1.00 41.25 C ATOM 249 CG1 VAL A 131 8.022 -3.283 -13.106 1.00 74.10 C ATOM 250 CG2 VAL A 131 8.902 -2.530 -15.327 1.00 12.31 C ATOM 0 H VAL A 131 7.695 -0.395 -14.905 1.00 30.42 H new ATOM 0 HA VAL A 131 8.892 -0.945 -12.268 1.00 64.24 H new ATOM 0 HB VAL A 131 10.052 -2.827 -13.558 1.00 41.25 H new ATOM 0 HG11 VAL A 131 8.097 -4.316 -13.446 1.00 74.10 H new ATOM 0 HG12 VAL A 131 8.191 -3.242 -12.030 1.00 74.10 H new ATOM 0 HG13 VAL A 131 7.028 -2.898 -13.332 1.00 74.10 H new ATOM 0 HG21 VAL A 131 8.964 -3.573 -15.637 1.00 12.31 H new ATOM 0 HG22 VAL A 131 7.932 -2.124 -15.612 1.00 12.31 H new ATOM 0 HG23 VAL A 131 9.692 -1.959 -15.815 1.00 12.31 H new ATOM 260 N LYS A 132 10.176 0.495 -14.872 1.00 5.43 N ATOM 261 CA LYS A 132 11.322 1.243 -15.378 1.00 32.44 C ATOM 262 C LYS A 132 10.937 2.686 -15.686 1.00 74.11 C ATOM 263 O LYS A 132 9.757 3.040 -15.678 1.00 42.44 O ATOM 264 CB LYS A 132 11.879 0.572 -16.635 1.00 51.24 C ATOM 265 CG LYS A 132 12.945 -0.471 -16.347 1.00 40.45 C ATOM 266 CD LYS A 132 13.399 -1.170 -17.618 1.00 13.20 C ATOM 267 CE LYS A 132 12.384 -2.206 -18.077 1.00 12.41 C ATOM 268 NZ LYS A 132 12.159 -3.256 -17.046 1.00 32.40 N ATOM 0 H LYS A 132 9.329 0.593 -15.431 1.00 5.43 H new ATOM 0 HA LYS A 132 12.091 1.249 -14.606 1.00 32.44 H new ATOM 0 HB2 LYS A 132 11.060 0.101 -17.179 1.00 51.24 H new ATOM 0 HB3 LYS A 132 12.298 1.336 -17.289 1.00 51.24 H new ATOM 0 HG2 LYS A 132 13.800 0.004 -15.867 1.00 40.45 H new ATOM 0 HG3 LYS A 132 12.554 -1.208 -15.645 1.00 40.45 H new ATOM 0 HD2 LYS A 132 13.550 -0.432 -18.406 1.00 13.20 H new ATOM 0 HD3 LYS A 132 14.361 -1.653 -17.445 1.00 13.20 H new ATOM 0 HE2 LYS A 132 11.439 -1.713 -18.305 1.00 12.41 H new ATOM 0 HE3 LYS A 132 12.732 -2.671 -18.999 1.00 12.41 H new ATOM 0 HZ1 LYS A 132 11.732 -4.093 -17.491 1.00 32.40 H new ATOM 0 HZ2 LYS A 132 13.068 -3.519 -16.614 1.00 32.40 H new ATOM 0 HZ3 LYS A 132 11.520 -2.890 -16.312 1.00 32.40 H new ATOM 282 N THR A 133 11.939 3.516 -15.959 1.00 73.22 N ATOM 283 CA THR A 133 11.705 4.920 -16.271 1.00 12.12 C ATOM 284 C THR A 133 12.845 5.496 -17.102 1.00 5.32 C ATOM 285 O THR A 133 14.005 5.333 -16.727 1.00 4.15 O ATOM 286 CB THR A 133 11.543 5.760 -14.990 1.00 14.31 C ATOM 287 OG1 THR A 133 10.570 5.158 -14.129 1.00 21.23 O ATOM 288 CG2 THR A 133 11.119 7.182 -15.326 1.00 13.25 C ATOM 0 H THR A 133 12.921 3.240 -15.970 1.00 73.22 H new ATOM 0 HA THR A 133 10.781 4.966 -16.847 1.00 12.12 H new ATOM 0 HB THR A 133 12.506 5.795 -14.481 1.00 14.31 H new ATOM 0 HG1 THR A 133 11.011 4.515 -13.536 1.00 21.23 H new ATOM 0 HG21 THR A 133 11.011 7.756 -14.406 1.00 13.25 H new ATOM 0 HG22 THR A 133 11.876 7.648 -15.958 1.00 13.25 H new ATOM 0 HG23 THR A 133 10.166 7.162 -15.855 1.00 13.25 H new ATOM 296 N CYS A 134 12.497 6.151 -18.200 1.00 1.02 N ATOM 297 CA CYS A 134 13.500 6.743 -19.068 1.00 43.12 C ATOM 298 C CYS A 134 13.621 8.228 -18.720 1.00 25.14 C ATOM 299 O CYS A 134 12.680 9.009 -18.854 1.00 51.42 O ATOM 300 CB CYS A 134 13.167 6.529 -20.546 1.00 13.20 C ATOM 301 SG CYS A 134 14.424 7.345 -21.596 1.00 0.21 S ATOM 0 H CYS A 134 11.534 6.285 -18.508 1.00 1.02 H new ATOM 0 HA CYS A 134 14.460 6.253 -18.905 1.00 43.12 H new ATOM 0 HB2 CYS A 134 13.132 5.463 -20.769 1.00 13.20 H new ATOM 0 HB3 CYS A 134 12.179 6.933 -20.767 1.00 13.20 H new ATOM 0 HG CYS A 134 15.592 7.243 -21.034 1.00 0.21 H new ATOM 306 N VAL A 135 14.813 8.603 -18.264 1.00 72.33 N ATOM 307 CA VAL A 135 15.088 9.985 -17.890 1.00 30.43 C ATOM 308 C VAL A 135 15.050 10.902 -19.107 1.00 33.12 C ATOM 309 O VAL A 135 14.560 12.030 -19.034 1.00 31.51 O ATOM 310 CB VAL A 135 16.460 10.117 -17.203 1.00 45.54 C ATOM 311 CG1 VAL A 135 16.467 9.378 -15.874 1.00 53.40 C ATOM 312 CG2 VAL A 135 17.564 9.601 -18.115 1.00 14.41 C ATOM 0 H VAL A 135 15.603 7.969 -18.145 1.00 72.33 H new ATOM 0 HA VAL A 135 14.309 10.285 -17.189 1.00 30.43 H new ATOM 0 HB VAL A 135 16.647 11.172 -17.004 1.00 45.54 H new ATOM 0 HG11 VAL A 135 17.445 9.483 -15.404 1.00 53.40 H new ATOM 0 HG12 VAL A 135 15.703 9.798 -15.220 1.00 53.40 H new ATOM 0 HG13 VAL A 135 16.258 8.322 -16.044 1.00 53.40 H new ATOM 0 HG21 VAL A 135 18.527 9.702 -17.614 1.00 14.41 H new ATOM 0 HG22 VAL A 135 17.384 8.551 -18.347 1.00 14.41 H new ATOM 0 HG23 VAL A 135 17.573 10.180 -19.038 1.00 14.41 H new ATOM 322 N THR A 136 15.570 10.411 -20.228 1.00 14.13 N ATOM 323 CA THR A 136 15.596 11.186 -21.462 1.00 12.35 C ATOM 324 C THR A 136 14.185 11.440 -21.982 1.00 25.33 C ATOM 325 O THR A 136 13.982 12.395 -22.729 1.00 45.31 O ATOM 326 CB THR A 136 16.414 10.474 -22.555 1.00 52.12 C ATOM 327 OG1 THR A 136 17.321 9.540 -21.959 1.00 14.03 O ATOM 328 CG2 THR A 136 17.191 11.480 -23.391 1.00 70.20 C ATOM 0 H THR A 136 15.979 9.480 -20.306 1.00 14.13 H new ATOM 0 HA THR A 136 16.070 12.139 -21.227 1.00 12.35 H new ATOM 0 HB THR A 136 15.721 9.941 -23.207 1.00 52.12 H new ATOM 0 HG1 THR A 136 18.242 9.841 -22.103 1.00 14.03 H new ATOM 0 HG21 THR A 136 17.761 10.954 -24.156 1.00 70.20 H new ATOM 0 HG22 THR A 136 16.496 12.171 -23.867 1.00 70.20 H new ATOM 0 HG23 THR A 136 17.873 12.037 -22.749 1.00 70.20 H new ATOM 336 N CYS A 137 13.252 10.589 -21.580 1.00 50.43 N ATOM 337 CA CYS A 137 11.872 10.734 -22.013 1.00 23.15 C ATOM 338 C CYS A 137 11.131 11.583 -20.978 1.00 2.11 C ATOM 339 O CYS A 137 10.108 12.206 -21.259 1.00 34.44 O ATOM 340 CB CYS A 137 11.200 9.376 -22.223 1.00 62.41 C ATOM 341 SG CYS A 137 11.657 8.699 -23.861 1.00 32.31 S ATOM 0 H CYS A 137 13.424 9.798 -20.960 1.00 50.43 H new ATOM 0 HA CYS A 137 11.842 11.234 -22.981 1.00 23.15 H new ATOM 0 HB2 CYS A 137 11.504 8.685 -21.437 1.00 62.41 H new ATOM 0 HB3 CYS A 137 10.117 9.482 -22.153 1.00 62.41 H new ATOM 0 HG CYS A 137 11.083 7.545 -24.029 1.00 32.31 H new ATOM 346 N GLU A 138 11.676 11.594 -19.765 1.00 61.44 N ATOM 347 CA GLU A 138 11.087 12.355 -18.670 1.00 51.34 C ATOM 348 C GLU A 138 9.732 11.777 -18.273 1.00 54.42 C ATOM 349 O GLU A 138 8.833 12.506 -17.851 1.00 61.42 O ATOM 350 CB GLU A 138 10.930 13.825 -19.068 1.00 64.50 C ATOM 351 CG GLU A 138 10.824 14.768 -17.882 1.00 2.12 C ATOM 352 CD GLU A 138 10.051 16.031 -18.208 1.00 70.03 C ATOM 353 OE1 GLU A 138 8.804 15.977 -18.223 1.00 34.43 O ATOM 354 OE2 GLU A 138 10.694 17.074 -18.449 1.00 42.13 O ATOM 0 H GLU A 138 12.524 11.085 -19.517 1.00 61.44 H new ATOM 0 HA GLU A 138 11.757 12.287 -17.813 1.00 51.34 H new ATOM 0 HB2 GLU A 138 11.782 14.120 -19.681 1.00 64.50 H new ATOM 0 HB3 GLU A 138 10.039 13.932 -19.687 1.00 64.50 H new ATOM 0 HG2 GLU A 138 10.337 14.252 -17.055 1.00 2.12 H new ATOM 0 HG3 GLU A 138 11.825 15.036 -17.545 1.00 2.12 H new ATOM 361 N VAL A 139 9.592 10.463 -18.412 1.00 32.20 N ATOM 362 CA VAL A 139 8.347 9.786 -18.068 1.00 22.24 C ATOM 363 C VAL A 139 8.609 8.360 -17.597 1.00 25.32 C ATOM 364 O VAL A 139 9.600 7.739 -17.984 1.00 53.31 O ATOM 365 CB VAL A 139 7.378 9.750 -19.264 1.00 62.43 C ATOM 366 CG1 VAL A 139 6.019 9.218 -18.835 1.00 42.13 C ATOM 367 CG2 VAL A 139 7.247 11.132 -19.885 1.00 44.23 C ATOM 0 H VAL A 139 10.325 9.846 -18.760 1.00 32.20 H new ATOM 0 HA VAL A 139 7.891 10.355 -17.258 1.00 22.24 H new ATOM 0 HB VAL A 139 7.784 9.075 -20.018 1.00 62.43 H new ATOM 0 HG11 VAL A 139 5.348 9.200 -19.694 1.00 42.13 H new ATOM 0 HG12 VAL A 139 6.132 8.208 -18.441 1.00 42.13 H new ATOM 0 HG13 VAL A 139 5.603 9.864 -18.062 1.00 42.13 H new ATOM 0 HG21 VAL A 139 6.558 11.088 -20.729 1.00 44.23 H new ATOM 0 HG22 VAL A 139 6.865 11.831 -19.141 1.00 44.23 H new ATOM 0 HG23 VAL A 139 8.224 11.469 -20.231 1.00 44.23 H new ATOM 377 N SER A 140 7.715 7.845 -16.759 1.00 70.12 N ATOM 378 CA SER A 140 7.851 6.492 -16.232 1.00 40.12 C ATOM 379 C SER A 140 6.859 5.546 -16.901 1.00 53.14 C ATOM 380 O SER A 140 5.661 5.825 -16.960 1.00 71.03 O ATOM 381 CB SER A 140 7.635 6.488 -14.718 1.00 21.14 C ATOM 382 OG SER A 140 7.975 5.231 -14.157 1.00 42.45 O ATOM 0 H SER A 140 6.889 8.344 -16.430 1.00 70.12 H new ATOM 0 HA SER A 140 8.861 6.144 -16.449 1.00 40.12 H new ATOM 0 HB2 SER A 140 8.240 7.270 -14.259 1.00 21.14 H new ATOM 0 HB3 SER A 140 6.593 6.719 -14.496 1.00 21.14 H new ATOM 0 HG SER A 140 8.919 5.037 -14.336 1.00 42.45 H new ATOM 388 N TYR A 141 7.366 4.426 -17.405 1.00 10.34 N ATOM 389 CA TYR A 141 6.526 3.439 -18.072 1.00 51.12 C ATOM 390 C TYR A 141 6.777 2.042 -17.512 1.00 52.33 C ATOM 391 O TYR A 141 7.692 1.870 -16.708 1.00 74.34 O ATOM 392 CB TYR A 141 6.788 3.451 -19.579 1.00 50.22 C ATOM 393 CG TYR A 141 6.656 4.821 -20.206 1.00 21.12 C ATOM 394 CD1 TYR A 141 5.412 5.422 -20.353 1.00 45.45 C ATOM 395 CD2 TYR A 141 7.776 5.514 -20.649 1.00 52.12 C ATOM 396 CE1 TYR A 141 5.287 6.673 -20.926 1.00 45.21 C ATOM 397 CE2 TYR A 141 7.660 6.766 -21.222 1.00 4.14 C ATOM 398 CZ TYR A 141 6.414 7.341 -21.358 1.00 42.24 C ATOM 399 OH TYR A 141 6.294 8.588 -21.928 1.00 0.00 O ATOM 0 H TYR A 141 8.355 4.179 -17.364 1.00 10.34 H new ATOM 0 HA TYR A 141 5.484 3.702 -17.889 1.00 51.12 H new ATOM 0 HB2 TYR A 141 7.791 3.069 -19.768 1.00 50.22 H new ATOM 0 HB3 TYR A 141 6.091 2.769 -20.066 1.00 50.22 H new ATOM 0 HD1 TYR A 141 4.528 4.903 -20.014 1.00 45.45 H new ATOM 0 HD2 TYR A 141 8.753 5.067 -20.544 1.00 52.12 H new ATOM 0 HE1 TYR A 141 4.312 7.125 -21.035 1.00 45.21 H new ATOM 0 HE2 TYR A 141 8.540 7.291 -21.562 1.00 4.14 H new ATOM 0 HH TYR A 141 7.182 8.921 -22.177 1.00 0.00 H new ATOM 409 N CYS A 142 5.968 1.086 -17.945 1.00 52.40 N ATOM 410 CA CYS A 142 6.112 -0.283 -17.481 1.00 62.14 C ATOM 411 C CYS A 142 6.894 -1.068 -18.537 1.00 3.43 C ATOM 412 O CYS A 142 7.236 -0.562 -19.606 1.00 11.42 O ATOM 413 CB CYS A 142 4.756 -0.925 -17.182 1.00 0.12 C ATOM 414 SG CYS A 142 3.816 -1.156 -18.735 1.00 1.51 S ATOM 0 H CYS A 142 5.211 1.233 -18.612 1.00 52.40 H new ATOM 0 HA CYS A 142 6.661 -0.294 -16.539 1.00 62.14 H new ATOM 0 HB2 CYS A 142 4.900 -1.886 -16.688 1.00 0.12 H new ATOM 0 HB3 CYS A 142 4.190 -0.296 -16.495 1.00 0.12 H new ATOM 0 HG CYS A 142 3.206 -2.304 -18.706 1.00 1.51 H new ATOM 419 N ASP A 143 7.172 -2.325 -18.210 1.00 51.01 N ATOM 420 CA ASP A 143 7.910 -3.204 -19.110 1.00 41.51 C ATOM 421 C ASP A 143 7.190 -3.341 -20.448 1.00 15.33 C ATOM 422 O ASP A 143 7.823 -3.492 -21.491 1.00 61.55 O ATOM 423 CB ASP A 143 8.096 -4.582 -18.473 1.00 40.41 C ATOM 424 CG ASP A 143 8.517 -5.633 -19.481 1.00 34.21 C ATOM 425 OD1 ASP A 143 9.522 -5.410 -20.188 1.00 12.32 O ATOM 426 OD2 ASP A 143 7.841 -6.680 -19.562 1.00 60.12 O ATOM 0 H ASP A 143 6.898 -2.758 -17.328 1.00 51.01 H new ATOM 0 HA ASP A 143 8.889 -2.760 -19.289 1.00 41.51 H new ATOM 0 HB2 ASP A 143 8.847 -4.517 -17.685 1.00 40.41 H new ATOM 0 HB3 ASP A 143 7.163 -4.889 -18.000 1.00 40.41 H new ATOM 431 N GLU A 144 5.862 -3.287 -20.407 1.00 72.32 N ATOM 432 CA GLU A 144 5.056 -3.408 -21.616 1.00 51.35 C ATOM 433 C GLU A 144 5.270 -2.208 -22.535 1.00 25.20 C ATOM 434 O GLU A 144 5.826 -2.372 -23.620 1.00 54.34 O ATOM 435 CB GLU A 144 3.573 -3.531 -21.258 1.00 5.31 C ATOM 436 CG GLU A 144 2.739 -4.196 -22.339 1.00 71.23 C ATOM 437 CD GLU A 144 1.265 -4.250 -21.988 1.00 53.33 C ATOM 438 OE1 GLU A 144 0.912 -4.948 -21.015 1.00 23.32 O ATOM 439 OE2 GLU A 144 0.464 -3.594 -22.687 1.00 12.04 O ATOM 0 H GLU A 144 5.322 -3.160 -19.551 1.00 72.32 H new ATOM 0 HA GLU A 144 5.371 -4.309 -22.143 1.00 51.35 H new ATOM 0 HB2 GLU A 144 3.477 -4.102 -20.334 1.00 5.31 H new ATOM 0 HB3 GLU A 144 3.172 -2.537 -21.061 1.00 5.31 H new ATOM 0 HG2 GLU A 144 2.866 -3.653 -23.276 1.00 71.23 H new ATOM 0 HG3 GLU A 144 3.107 -5.209 -22.505 1.00 71.23 H new ATOM 446 N CYS A 145 4.830 -1.042 -22.085 1.00 64.13 N ATOM 447 CA CYS A 145 4.980 0.169 -22.874 1.00 74.23 C ATOM 448 C CYS A 145 6.452 0.308 -23.267 1.00 74.14 C ATOM 449 O CYS A 145 6.796 0.754 -24.363 1.00 2.15 O ATOM 450 CB CYS A 145 4.471 1.400 -22.122 1.00 51.32 C ATOM 451 SG CYS A 145 2.729 1.151 -21.619 1.00 2.02 S ATOM 0 H CYS A 145 4.370 -0.910 -21.184 1.00 64.13 H new ATOM 0 HA CYS A 145 4.371 0.097 -23.775 1.00 74.23 H new ATOM 0 HB2 CYS A 145 5.090 1.581 -21.243 1.00 51.32 H new ATOM 0 HB3 CYS A 145 4.552 2.283 -22.756 1.00 51.32 H new ATOM 0 HG CYS A 145 2.130 2.302 -21.544 1.00 2.02 H new ATOM 456 N LEU A 146 7.319 -0.087 -22.342 1.00 64.24 N ATOM 457 CA LEU A 146 8.759 -0.018 -22.565 1.00 65.01 C ATOM 458 C LEU A 146 9.144 -0.718 -23.865 1.00 32.35 C ATOM 459 O LEU A 146 10.034 -0.268 -24.586 1.00 2.23 O ATOM 460 CB LEU A 146 9.508 -0.651 -21.391 1.00 10.23 C ATOM 461 CG LEU A 146 11.025 -0.762 -21.543 1.00 44.33 C ATOM 462 CD1 LEU A 146 11.727 0.255 -20.656 1.00 32.21 C ATOM 463 CD2 LEU A 146 11.493 -2.172 -21.214 1.00 72.05 C ATOM 0 H LEU A 146 7.051 -0.458 -21.431 1.00 64.24 H new ATOM 0 HA LEU A 146 9.039 1.033 -22.643 1.00 65.01 H new ATOM 0 HB2 LEU A 146 9.295 -0.069 -20.494 1.00 10.23 H new ATOM 0 HB3 LEU A 146 9.106 -1.650 -21.226 1.00 10.23 H new ATOM 0 HG LEU A 146 11.283 -0.548 -22.580 1.00 44.33 H new ATOM 0 HD11 LEU A 146 12.806 0.161 -20.778 1.00 32.21 H new ATOM 0 HD12 LEU A 146 11.416 1.261 -20.939 1.00 32.21 H new ATOM 0 HD13 LEU A 146 11.462 0.073 -19.614 1.00 32.21 H new ATOM 0 HD21 LEU A 146 12.575 -2.232 -21.328 1.00 72.05 H new ATOM 0 HD22 LEU A 146 11.222 -2.415 -20.187 1.00 72.05 H new ATOM 0 HD23 LEU A 146 11.017 -2.881 -21.892 1.00 72.05 H new ATOM 475 N LYS A 147 8.465 -1.822 -24.159 1.00 21.02 N ATOM 476 CA LYS A 147 8.732 -2.584 -25.373 1.00 52.10 C ATOM 477 C LYS A 147 8.087 -1.919 -26.585 1.00 72.40 C ATOM 478 O LYS A 147 8.501 -2.145 -27.722 1.00 11.33 O ATOM 479 CB LYS A 147 8.212 -4.016 -25.226 1.00 55.40 C ATOM 480 CG LYS A 147 8.857 -4.999 -26.186 1.00 65.24 C ATOM 481 CD LYS A 147 7.936 -6.168 -26.492 1.00 14.24 C ATOM 482 CE LYS A 147 8.673 -7.287 -27.211 1.00 43.40 C ATOM 483 NZ LYS A 147 7.946 -8.582 -27.114 1.00 71.45 N ATOM 0 H LYS A 147 7.725 -2.209 -23.573 1.00 21.02 H new ATOM 0 HA LYS A 147 9.811 -2.610 -25.526 1.00 52.10 H new ATOM 0 HB2 LYS A 147 8.385 -4.353 -24.204 1.00 55.40 H new ATOM 0 HB3 LYS A 147 7.134 -4.020 -25.385 1.00 55.40 H new ATOM 0 HG2 LYS A 147 9.116 -4.487 -27.113 1.00 65.24 H new ATOM 0 HG3 LYS A 147 9.787 -5.371 -25.757 1.00 65.24 H new ATOM 0 HD2 LYS A 147 7.510 -6.549 -25.564 1.00 14.24 H new ATOM 0 HD3 LYS A 147 7.104 -5.825 -27.107 1.00 14.24 H new ATOM 0 HE2 LYS A 147 8.802 -7.021 -28.260 1.00 43.40 H new ATOM 0 HE3 LYS A 147 9.670 -7.398 -26.785 1.00 43.40 H new ATOM 0 HZ1 LYS A 147 8.481 -9.319 -27.617 1.00 71.45 H new ATOM 0 HZ2 LYS A 147 7.844 -8.849 -26.114 1.00 71.45 H new ATOM 0 HZ3 LYS A 147 7.004 -8.484 -27.544 1.00 71.45 H new ATOM 497 N ALA A 148 7.072 -1.099 -26.334 1.00 50.21 N ATOM 498 CA ALA A 148 6.373 -0.399 -27.405 1.00 13.15 C ATOM 499 C ALA A 148 7.149 0.834 -27.853 1.00 44.41 C ATOM 500 O ALA A 148 7.410 1.019 -29.042 1.00 63.45 O ATOM 501 CB ALA A 148 4.973 -0.008 -26.954 1.00 20.54 C ATOM 0 H ALA A 148 6.715 -0.903 -25.399 1.00 50.21 H new ATOM 0 HA ALA A 148 6.294 -1.075 -28.256 1.00 13.15 H new ATOM 0 HB1 ALA A 148 4.462 0.514 -27.763 1.00 20.54 H new ATOM 0 HB2 ALA A 148 4.412 -0.905 -26.690 1.00 20.54 H new ATOM 0 HB3 ALA A 148 5.040 0.647 -26.085 1.00 20.54 H new ATOM 507 N THR A 149 7.516 1.678 -26.894 1.00 5.34 N ATOM 508 CA THR A 149 8.262 2.895 -27.190 1.00 54.31 C ATOM 509 C THR A 149 9.744 2.598 -27.386 1.00 11.41 C ATOM 510 O THR A 149 10.398 3.193 -28.243 1.00 65.21 O ATOM 511 CB THR A 149 8.102 3.939 -26.068 1.00 64.24 C ATOM 512 OG1 THR A 149 8.846 5.120 -26.389 1.00 22.34 O ATOM 513 CG2 THR A 149 8.579 3.379 -24.737 1.00 31.23 C ATOM 0 H THR A 149 7.309 1.541 -25.905 1.00 5.34 H new ATOM 0 HA THR A 149 7.851 3.301 -28.114 1.00 54.31 H new ATOM 0 HB THR A 149 7.045 4.189 -25.981 1.00 64.24 H new ATOM 0 HG1 THR A 149 8.739 5.779 -25.672 1.00 22.34 H new ATOM 0 HG21 THR A 149 8.457 4.134 -23.960 1.00 31.23 H new ATOM 0 HG22 THR A 149 7.992 2.497 -24.482 1.00 31.23 H new ATOM 0 HG23 THR A 149 9.631 3.105 -24.814 1.00 31.23 H new ATOM 521 N HIS A 150 10.268 1.675 -26.586 1.00 64.15 N ATOM 522 CA HIS A 150 11.675 1.298 -26.673 1.00 51.23 C ATOM 523 C HIS A 150 11.821 -0.177 -27.035 1.00 52.21 C ATOM 524 O HIS A 150 11.931 -1.045 -26.170 1.00 20.45 O ATOM 525 CB HIS A 150 12.384 1.583 -25.349 1.00 34.12 C ATOM 526 CG HIS A 150 12.383 3.032 -24.969 1.00 21.45 C ATOM 527 ND1 HIS A 150 11.769 4.008 -25.725 1.00 24.14 N ATOM 528 CD2 HIS A 150 12.925 3.668 -23.904 1.00 32.55 C ATOM 529 CE1 HIS A 150 11.935 5.182 -25.142 1.00 62.11 C ATOM 530 NE2 HIS A 150 12.633 5.003 -24.035 1.00 33.12 N ATOM 0 H HIS A 150 9.740 1.175 -25.871 1.00 64.15 H new ATOM 0 HA HIS A 150 12.137 1.894 -27.460 1.00 51.23 H new ATOM 0 HB2 HIS A 150 11.903 1.008 -24.558 1.00 34.12 H new ATOM 0 HB3 HIS A 150 13.414 1.234 -25.416 1.00 34.12 H new ATOM 0 HD2 HIS A 150 13.483 3.210 -23.101 1.00 32.55 H new ATOM 0 HE1 HIS A 150 11.563 6.127 -25.508 1.00 62.11 H new ATOM 0 HE2 HIS A 150 12.910 5.737 -23.383 1.00 33.12 H new ATOM 664 N HIS A 159 18.881 5.177 -25.131 1.00 42.22 N ATOM 665 CA HIS A 159 18.161 6.043 -24.204 1.00 21.52 C ATOM 666 C HIS A 159 18.647 5.830 -22.773 1.00 61.43 C ATOM 667 O HIS A 159 18.959 4.708 -22.374 1.00 61.41 O ATOM 668 CB HIS A 159 16.658 5.778 -24.289 1.00 33.42 C ATOM 669 CG HIS A 159 15.943 6.681 -25.246 1.00 44.31 C ATOM 670 ND1 HIS A 159 14.569 6.732 -25.350 1.00 44.41 N ATOM 671 CD2 HIS A 159 16.421 7.574 -26.145 1.00 32.22 C ATOM 672 CE1 HIS A 159 14.233 7.616 -26.273 1.00 35.04 C ATOM 673 NE2 HIS A 159 15.338 8.141 -26.770 1.00 13.21 N ATOM 0 HA HIS A 159 18.356 7.078 -24.485 1.00 21.52 H new ATOM 0 HB2 HIS A 159 16.497 4.743 -24.590 1.00 33.42 H new ATOM 0 HB3 HIS A 159 16.220 5.894 -23.297 1.00 33.42 H new ATOM 0 HD1 HIS A 159 13.915 6.175 -24.801 1.00 44.41 H new ATOM 0 HD2 HIS A 159 17.460 7.798 -26.335 1.00 32.22 H new ATOM 0 HE1 HIS A 159 13.225 7.867 -26.570 1.00 35.04 H new ATOM 680 N ARG A 160 18.709 6.914 -22.007 1.00 63.30 N ATOM 681 CA ARG A 160 19.159 6.845 -20.622 1.00 3.50 C ATOM 682 C ARG A 160 18.052 6.315 -19.716 1.00 52.11 C ATOM 683 O ARG A 160 16.911 6.775 -19.777 1.00 51.45 O ATOM 684 CB ARG A 160 19.609 8.226 -20.141 1.00 11.31 C ATOM 685 CG ARG A 160 20.859 8.737 -20.839 1.00 13.22 C ATOM 686 CD ARG A 160 20.808 10.244 -21.040 1.00 70.31 C ATOM 687 NE ARG A 160 22.119 10.863 -20.869 1.00 44.22 N ATOM 688 CZ ARG A 160 23.075 10.826 -21.791 1.00 3.32 C ATOM 689 NH1 ARG A 160 22.867 10.203 -22.942 1.00 52.24 N ATOM 690 NH2 ARG A 160 24.243 11.414 -21.561 1.00 73.15 N ATOM 0 H ARG A 160 18.453 7.850 -22.322 1.00 63.30 H new ATOM 0 HA ARG A 160 20.004 6.158 -20.574 1.00 3.50 H new ATOM 0 HB2 ARG A 160 18.799 8.938 -20.298 1.00 11.31 H new ATOM 0 HB3 ARG A 160 19.794 8.185 -19.068 1.00 11.31 H new ATOM 0 HG2 ARG A 160 21.738 8.477 -20.250 1.00 13.22 H new ATOM 0 HG3 ARG A 160 20.965 8.243 -21.805 1.00 13.22 H new ATOM 0 HD2 ARG A 160 20.431 10.464 -22.039 1.00 70.31 H new ATOM 0 HD3 ARG A 160 20.105 10.681 -20.330 1.00 70.31 H new ATOM 0 HE ARG A 160 22.312 11.350 -19.994 1.00 44.22 H new ATOM 0 HH11 ARG A 160 21.971 9.750 -23.122 1.00 52.24 H new ATOM 0 HH12 ARG A 160 23.603 10.176 -23.648 1.00 52.24 H new ATOM 0 HH21 ARG A 160 24.407 11.894 -20.676 1.00 73.15 H new ATOM 0 HH22 ARG A 160 24.977 11.385 -22.269 1.00 73.15 H new ATOM 704 N LEU A 161 18.395 5.345 -18.877 1.00 25.35 N ATOM 705 CA LEU A 161 17.431 4.751 -17.958 1.00 34.34 C ATOM 706 C LEU A 161 18.060 4.507 -16.590 1.00 11.33 C ATOM 707 O LEU A 161 19.057 3.795 -16.472 1.00 64.24 O ATOM 708 CB LEU A 161 16.897 3.435 -18.527 1.00 40.25 C ATOM 709 CG LEU A 161 16.196 3.526 -19.883 1.00 43.35 C ATOM 710 CD1 LEU A 161 16.684 2.425 -20.811 1.00 71.54 C ATOM 711 CD2 LEU A 161 14.686 3.451 -19.710 1.00 24.53 C ATOM 0 H LEU A 161 19.334 4.953 -18.814 1.00 25.35 H new ATOM 0 HA LEU A 161 16.604 5.451 -17.838 1.00 34.34 H new ATOM 0 HB2 LEU A 161 17.729 2.737 -18.617 1.00 40.25 H new ATOM 0 HB3 LEU A 161 16.199 3.008 -17.807 1.00 40.25 H new ATOM 0 HG LEU A 161 16.442 4.488 -20.333 1.00 43.35 H new ATOM 0 HD11 LEU A 161 16.174 2.506 -21.771 1.00 71.54 H new ATOM 0 HD12 LEU A 161 17.759 2.526 -20.961 1.00 71.54 H new ATOM 0 HD13 LEU A 161 16.469 1.453 -20.367 1.00 71.54 H new ATOM 0 HD21 LEU A 161 14.204 3.517 -20.686 1.00 24.53 H new ATOM 0 HD22 LEU A 161 14.420 2.505 -19.238 1.00 24.53 H new ATOM 0 HD23 LEU A 161 14.350 4.277 -19.083 1.00 24.53 H new ATOM 723 N ILE A 162 17.470 5.102 -15.558 1.00 74.14 N ATOM 724 CA ILE A 162 17.971 4.947 -14.198 1.00 73.35 C ATOM 725 C ILE A 162 18.190 3.477 -13.858 1.00 23.41 C ATOM 726 O ILE A 162 17.242 2.695 -13.798 1.00 54.31 O ATOM 727 CB ILE A 162 17.004 5.562 -13.169 1.00 25.21 C ATOM 728 CG1 ILE A 162 16.791 7.048 -13.462 1.00 11.31 C ATOM 729 CG2 ILE A 162 17.539 5.366 -11.758 1.00 70.20 C ATOM 730 CD1 ILE A 162 15.335 7.434 -13.599 1.00 13.13 C ATOM 0 H ILE A 162 16.645 5.696 -15.638 1.00 74.14 H new ATOM 0 HA ILE A 162 18.924 5.475 -14.150 1.00 73.35 H new ATOM 0 HB ILE A 162 16.042 5.054 -13.246 1.00 25.21 H new ATOM 0 HG12 ILE A 162 17.241 7.636 -12.662 1.00 11.31 H new ATOM 0 HG13 ILE A 162 17.315 7.308 -14.382 1.00 11.31 H new ATOM 0 HG21 ILE A 162 16.845 5.806 -11.041 1.00 70.20 H new ATOM 0 HG22 ILE A 162 17.645 4.301 -11.554 1.00 70.20 H new ATOM 0 HG23 ILE A 162 18.511 5.851 -11.667 1.00 70.20 H new ATOM 0 HD11 ILE A 162 15.260 8.501 -13.806 1.00 13.13 H new ATOM 0 HD12 ILE A 162 14.885 6.873 -14.418 1.00 13.13 H new ATOM 0 HD13 ILE A 162 14.809 7.206 -12.672 1.00 13.13 H new ATOM 894 N LEU A 173 22.677 -4.049 -7.653 1.00 34.02 N ATOM 895 CA LEU A 173 22.735 -3.219 -8.851 1.00 70.22 C ATOM 896 C LEU A 173 23.467 -1.910 -8.572 1.00 71.40 C ATOM 897 O LEU A 173 23.418 -1.386 -7.460 1.00 2.31 O ATOM 898 CB LEU A 173 21.323 -2.928 -9.363 1.00 62.11 C ATOM 899 CG LEU A 173 20.496 -4.145 -9.779 1.00 12.13 C ATOM 900 CD1 LEU A 173 19.865 -4.803 -8.561 1.00 42.31 C ATOM 901 CD2 LEU A 173 19.426 -3.744 -10.785 1.00 25.54 C ATOM 0 HA LEU A 173 23.286 -3.766 -9.616 1.00 70.22 H new ATOM 0 HB2 LEU A 173 20.779 -2.393 -8.585 1.00 62.11 H new ATOM 0 HB3 LEU A 173 21.399 -2.256 -10.218 1.00 62.11 H new ATOM 0 HG LEU A 173 21.160 -4.867 -10.253 1.00 12.13 H new ATOM 0 HD11 LEU A 173 19.280 -5.667 -8.876 1.00 42.31 H new ATOM 0 HD12 LEU A 173 20.648 -5.126 -7.875 1.00 42.31 H new ATOM 0 HD13 LEU A 173 19.214 -4.088 -8.058 1.00 42.31 H new ATOM 0 HD21 LEU A 173 18.847 -4.622 -11.070 1.00 25.54 H new ATOM 0 HD22 LEU A 173 18.764 -3.003 -10.336 1.00 25.54 H new ATOM 0 HD23 LEU A 173 19.900 -3.319 -11.670 1.00 25.54 H new ATOM 913 N MET A 174 24.143 -1.388 -9.590 1.00 11.31 N ATOM 914 CA MET A 174 24.882 -0.138 -9.455 1.00 1.15 C ATOM 915 C MET A 174 24.195 0.986 -10.224 1.00 2.01 C ATOM 916 O MET A 174 23.269 0.714 -10.986 1.00 51.42 O ATOM 917 CB MET A 174 26.317 -0.312 -9.956 1.00 31.20 C ATOM 918 CG MET A 174 27.370 0.038 -8.918 1.00 3.24 C ATOM 919 SD MET A 174 29.015 -0.543 -9.374 1.00 3.53 S ATOM 920 CE MET A 174 29.377 -1.643 -8.008 1.00 35.24 C ATOM 0 H MET A 174 24.194 -1.811 -10.517 1.00 11.31 H new ATOM 0 HA MET A 174 24.904 0.129 -8.399 1.00 1.15 H new ATOM 0 HB2 MET A 174 26.460 -1.345 -10.272 1.00 31.20 H new ATOM 0 HB3 MET A 174 26.464 0.314 -10.836 1.00 31.20 H new ATOM 0 HG2 MET A 174 27.395 1.119 -8.782 1.00 3.24 H new ATOM 0 HG3 MET A 174 27.088 -0.397 -7.959 1.00 3.24 H new ATOM 0 HE1 MET A 174 30.365 -2.082 -8.146 1.00 35.24 H new ATOM 0 HE2 MET A 174 29.357 -1.082 -7.074 1.00 35.24 H new ATOM 0 HE3 MET A 174 28.630 -2.436 -7.971 1.00 35.24 H new ATOM 930 N CYS A 175 24.657 2.209 -10.011 1.00 4.35 N ATOM 931 CA CYS A 175 24.079 3.357 -10.689 1.00 21.32 C ATOM 932 C CYS A 175 24.689 3.445 -12.089 1.00 62.21 C ATOM 933 O CYS A 175 25.531 2.638 -12.487 1.00 55.12 O ATOM 934 CB CYS A 175 24.286 4.647 -9.894 1.00 2.43 C ATOM 935 SG CYS A 175 22.727 5.603 -9.835 1.00 12.31 S ATOM 0 H CYS A 175 25.426 2.430 -9.378 1.00 4.35 H new ATOM 0 HA CYS A 175 23.000 3.228 -10.771 1.00 21.32 H new ATOM 0 HB2 CYS A 175 24.616 4.411 -8.882 1.00 2.43 H new ATOM 0 HB3 CYS A 175 25.072 5.246 -10.355 1.00 2.43 H new ATOM 0 HG CYS A 175 22.705 6.331 -8.758 1.00 12.31 H new ATOM 940 N LEU A 176 24.243 4.451 -12.833 1.00 64.24 N ATOM 941 CA LEU A 176 24.728 4.671 -14.192 1.00 33.42 C ATOM 942 C LEU A 176 26.237 4.890 -14.203 1.00 61.20 C ATOM 943 O LEU A 176 26.980 4.121 -14.812 1.00 5.21 O ATOM 944 CB LEU A 176 24.021 5.875 -14.818 1.00 24.45 C ATOM 945 CG LEU A 176 24.230 6.069 -16.320 1.00 0.02 C ATOM 946 CD1 LEU A 176 22.893 6.110 -17.044 1.00 21.25 C ATOM 947 CD2 LEU A 176 25.023 7.340 -16.588 1.00 72.10 C ATOM 0 H LEU A 176 23.547 5.127 -12.519 1.00 64.24 H new ATOM 0 HA LEU A 176 24.505 3.781 -14.780 1.00 33.42 H new ATOM 0 HB2 LEU A 176 22.952 5.782 -14.629 1.00 24.45 H new ATOM 0 HB3 LEU A 176 24.358 6.776 -14.305 1.00 24.45 H new ATOM 0 HG LEU A 176 24.800 5.222 -16.701 1.00 0.02 H new ATOM 0 HD11 LEU A 176 23.062 6.249 -18.112 1.00 21.25 H new ATOM 0 HD12 LEU A 176 22.361 5.173 -16.879 1.00 21.25 H new ATOM 0 HD13 LEU A 176 22.297 6.938 -16.660 1.00 21.25 H new ATOM 0 HD21 LEU A 176 25.162 7.462 -17.662 1.00 72.10 H new ATOM 0 HD22 LEU A 176 24.479 8.198 -16.193 1.00 72.10 H new ATOM 0 HD23 LEU A 176 25.996 7.271 -16.101 1.00 72.10 H new ATOM 959 N GLU A 177 26.682 5.942 -13.524 1.00 3.32 N ATOM 960 CA GLU A 177 28.104 6.261 -13.455 1.00 74.22 C ATOM 961 C GLU A 177 28.528 6.547 -12.018 1.00 22.24 C ATOM 962 O GLU A 177 29.171 7.559 -11.738 1.00 4.00 O ATOM 963 CB GLU A 177 28.422 7.466 -14.342 1.00 42.40 C ATOM 964 CG GLU A 177 29.901 7.617 -14.656 1.00 2.34 C ATOM 965 CD GLU A 177 30.287 9.049 -14.975 1.00 73.42 C ATOM 966 OE1 GLU A 177 30.148 9.913 -14.084 1.00 70.22 O ATOM 967 OE2 GLU A 177 30.726 9.305 -16.115 1.00 64.24 O ATOM 0 H GLU A 177 26.079 6.588 -13.014 1.00 3.32 H new ATOM 0 HA GLU A 177 28.662 5.397 -13.815 1.00 74.22 H new ATOM 0 HB2 GLU A 177 27.868 7.375 -15.276 1.00 42.40 H new ATOM 0 HB3 GLU A 177 28.069 8.372 -13.850 1.00 42.40 H new ATOM 0 HG2 GLU A 177 30.487 7.268 -13.806 1.00 2.34 H new ATOM 0 HG3 GLU A 177 30.156 6.979 -15.502 1.00 2.34 H new ATOM 974 N HIS A 178 28.163 5.648 -11.109 1.00 23.30 N ATOM 975 CA HIS A 178 28.506 5.802 -9.700 1.00 0.53 C ATOM 976 C HIS A 178 28.914 4.465 -9.090 1.00 23.12 C ATOM 977 O HIS A 178 28.119 3.813 -8.414 1.00 64.51 O ATOM 978 CB HIS A 178 27.324 6.389 -8.927 1.00 61.01 C ATOM 979 CG HIS A 178 26.916 7.751 -9.399 1.00 64.42 C ATOM 980 ND1 HIS A 178 25.608 8.094 -9.667 1.00 60.44 N ATOM 981 CD2 HIS A 178 27.653 8.858 -9.649 1.00 50.40 C ATOM 982 CE1 HIS A 178 25.558 9.353 -10.064 1.00 33.15 C ATOM 983 NE2 HIS A 178 26.785 9.840 -10.061 1.00 4.04 N ATOM 0 H HIS A 178 27.630 4.805 -11.323 1.00 23.30 H new ATOM 0 HA HIS A 178 29.352 6.486 -9.631 1.00 0.53 H new ATOM 0 HB2 HIS A 178 26.473 5.714 -9.013 1.00 61.01 H new ATOM 0 HB3 HIS A 178 27.583 6.442 -7.869 1.00 61.01 H new ATOM 0 HD2 HIS A 178 28.724 8.952 -9.544 1.00 50.40 H new ATOM 0 HE1 HIS A 178 24.665 9.892 -10.344 1.00 33.15 H new ATOM 0 HE2 HIS A 178 27.046 10.791 -10.322 1.00 4.04 H new ATOM 990 N GLU A 179 30.158 4.063 -9.334 1.00 51.42 N ATOM 991 CA GLU A 179 30.670 2.803 -8.810 1.00 32.32 C ATOM 992 C GLU A 179 31.089 2.951 -7.350 1.00 63.11 C ATOM 993 O GLU A 179 30.969 2.014 -6.560 1.00 51.14 O ATOM 994 CB GLU A 179 31.857 2.321 -9.647 1.00 12.23 C ATOM 995 CG GLU A 179 33.108 3.166 -9.472 1.00 35.14 C ATOM 996 CD GLU A 179 34.043 2.612 -8.414 1.00 73.45 C ATOM 997 OE1 GLU A 179 34.618 1.527 -8.641 1.00 22.24 O ATOM 998 OE2 GLU A 179 34.199 3.264 -7.361 1.00 31.43 O ATOM 0 H GLU A 179 30.829 4.592 -9.891 1.00 51.42 H new ATOM 0 HA GLU A 179 29.871 2.064 -8.867 1.00 32.32 H new ATOM 0 HB2 GLU A 179 32.085 1.289 -9.379 1.00 12.23 H new ATOM 0 HB3 GLU A 179 31.573 2.321 -10.699 1.00 12.23 H new ATOM 0 HG2 GLU A 179 33.637 3.227 -10.423 1.00 35.14 H new ATOM 0 HG3 GLU A 179 32.821 4.182 -9.202 1.00 35.14 H new ATOM 1005 N ASP A 180 31.582 4.134 -7.000 1.00 25.42 N ATOM 1006 CA ASP A 180 32.020 4.406 -5.636 1.00 32.15 C ATOM 1007 C ASP A 180 30.828 4.469 -4.685 1.00 62.32 C ATOM 1008 O ASP A 180 30.981 4.320 -3.473 1.00 72.03 O ATOM 1009 CB ASP A 180 32.802 5.719 -5.580 1.00 53.24 C ATOM 1010 CG ASP A 180 33.623 5.852 -4.313 1.00 33.52 C ATOM 1011 OD1 ASP A 180 34.769 5.356 -4.294 1.00 74.12 O ATOM 1012 OD2 ASP A 180 33.119 6.450 -3.339 1.00 31.11 O ATOM 0 H ASP A 180 31.688 4.920 -7.642 1.00 25.42 H new ATOM 0 HA ASP A 180 32.671 3.591 -5.321 1.00 32.15 H new ATOM 0 HB2 ASP A 180 33.462 5.782 -6.445 1.00 53.24 H new ATOM 0 HB3 ASP A 180 32.107 6.556 -5.648 1.00 53.24 H new ATOM 1017 N GLU A 181 29.643 4.691 -5.244 1.00 73.13 N ATOM 1018 CA GLU A 181 28.426 4.775 -4.445 1.00 52.34 C ATOM 1019 C GLU A 181 27.324 3.901 -5.038 1.00 3.12 C ATOM 1020 O GLU A 181 26.861 4.137 -6.154 1.00 30.01 O ATOM 1021 CB GLU A 181 27.948 6.226 -4.356 1.00 13.14 C ATOM 1022 CG GLU A 181 27.590 6.663 -2.945 1.00 32.20 C ATOM 1023 CD GLU A 181 26.308 6.026 -2.445 1.00 14.21 C ATOM 1024 OE1 GLU A 181 26.349 4.846 -2.041 1.00 20.45 O ATOM 1025 OE2 GLU A 181 25.262 6.710 -2.458 1.00 23.21 O ATOM 0 H GLU A 181 29.500 4.816 -6.246 1.00 73.13 H new ATOM 0 HA GLU A 181 28.654 4.412 -3.443 1.00 52.34 H new ATOM 0 HB2 GLU A 181 28.728 6.881 -4.743 1.00 13.14 H new ATOM 0 HB3 GLU A 181 27.077 6.353 -4.999 1.00 13.14 H new ATOM 0 HG2 GLU A 181 28.407 6.405 -2.271 1.00 32.20 H new ATOM 0 HG3 GLU A 181 27.486 7.748 -2.920 1.00 32.20 H new ATOM 1032 N LYS A 182 26.910 2.890 -4.283 1.00 35.44 N ATOM 1033 CA LYS A 182 25.862 1.979 -4.730 1.00 44.13 C ATOM 1034 C LYS A 182 24.481 2.582 -4.496 1.00 72.34 C ATOM 1035 O LYS A 182 24.344 3.603 -3.823 1.00 11.12 O ATOM 1036 CB LYS A 182 25.976 0.639 -4.000 1.00 3.34 C ATOM 1037 CG LYS A 182 26.211 -0.541 -4.926 1.00 52.04 C ATOM 1038 CD LYS A 182 26.476 -1.818 -4.147 1.00 5.11 C ATOM 1039 CE LYS A 182 25.748 -3.005 -4.758 1.00 22.54 C ATOM 1040 NZ LYS A 182 26.523 -4.268 -4.607 1.00 34.44 N ATOM 0 H LYS A 182 27.284 2.680 -3.358 1.00 35.44 H new ATOM 0 HA LYS A 182 25.991 1.814 -5.800 1.00 44.13 H new ATOM 0 HB2 LYS A 182 26.794 0.695 -3.282 1.00 3.34 H new ATOM 0 HB3 LYS A 182 25.063 0.467 -3.430 1.00 3.34 H new ATOM 0 HG2 LYS A 182 25.341 -0.679 -5.568 1.00 52.04 H new ATOM 0 HG3 LYS A 182 27.058 -0.329 -5.578 1.00 52.04 H new ATOM 0 HD2 LYS A 182 27.547 -2.018 -4.127 1.00 5.11 H new ATOM 0 HD3 LYS A 182 26.157 -1.687 -3.113 1.00 5.11 H new ATOM 0 HE2 LYS A 182 24.774 -3.118 -4.282 1.00 22.54 H new ATOM 0 HE3 LYS A 182 25.566 -2.815 -5.816 1.00 22.54 H new ATOM 0 HZ1 LYS A 182 25.994 -5.054 -5.036 1.00 34.44 H new ATOM 0 HZ2 LYS A 182 27.443 -4.170 -5.082 1.00 34.44 H new ATOM 0 HZ3 LYS A 182 26.675 -4.464 -3.597 1.00 34.44 H new ATOM 1054 N VAL A 183 23.459 1.942 -5.056 1.00 14.11 N ATOM 1055 CA VAL A 183 22.087 2.414 -4.906 1.00 21.21 C ATOM 1056 C VAL A 183 21.495 1.967 -3.574 1.00 72.32 C ATOM 1057 O VAL A 183 21.426 0.773 -3.283 1.00 43.43 O ATOM 1058 CB VAL A 183 21.191 1.906 -6.051 1.00 35.45 C ATOM 1059 CG1 VAL A 183 21.587 2.554 -7.368 1.00 3.00 C ATOM 1060 CG2 VAL A 183 21.262 0.389 -6.150 1.00 45.31 C ATOM 0 H VAL A 183 23.555 1.096 -5.617 1.00 14.11 H new ATOM 0 HA VAL A 183 22.121 3.503 -4.937 1.00 21.21 H new ATOM 0 HB VAL A 183 20.160 2.185 -5.833 1.00 35.45 H new ATOM 0 HG11 VAL A 183 20.943 2.182 -8.165 1.00 3.00 H new ATOM 0 HG12 VAL A 183 21.479 3.636 -7.288 1.00 3.00 H new ATOM 0 HG13 VAL A 183 22.624 2.309 -7.597 1.00 3.00 H new ATOM 0 HG21 VAL A 183 20.623 0.047 -6.964 1.00 45.31 H new ATOM 0 HG22 VAL A 183 22.291 0.085 -6.344 1.00 45.31 H new ATOM 0 HG23 VAL A 183 20.923 -0.053 -5.213 1.00 45.31 H new ATOM 1070 N ASN A 184 21.067 2.933 -2.769 1.00 2.53 N ATOM 1071 CA ASN A 184 20.480 2.640 -1.466 1.00 71.55 C ATOM 1072 C ASN A 184 19.200 3.443 -1.253 1.00 25.41 C ATOM 1073 O ASN A 184 18.786 3.679 -0.118 1.00 60.35 O ATOM 1074 CB ASN A 184 21.481 2.948 -0.351 1.00 71.41 C ATOM 1075 CG ASN A 184 21.091 2.309 0.968 1.00 3.11 C ATOM 1076 OD1 ASN A 184 20.934 1.091 1.059 1.00 45.43 O ATOM 1077 ND2 ASN A 184 20.933 3.131 1.999 1.00 32.00 N ATOM 0 H ASN A 184 21.115 3.926 -2.996 1.00 2.53 H new ATOM 0 HA ASN A 184 20.231 1.579 -1.438 1.00 71.55 H new ATOM 0 HB2 ASN A 184 22.469 2.594 -0.645 1.00 71.41 H new ATOM 0 HB3 ASN A 184 21.555 4.028 -0.221 1.00 71.41 H new ATOM 0 HD21 ASN A 184 20.671 2.759 2.912 1.00 32.00 H new ATOM 0 HD22 ASN A 184 21.073 4.134 1.878 1.00 32.00 H new ATOM 1084 N MET A 185 18.579 3.859 -2.352 1.00 23.14 N ATOM 1085 CA MET A 185 17.346 4.634 -2.284 1.00 72.05 C ATOM 1086 C MET A 185 16.330 4.129 -3.305 1.00 23.05 C ATOM 1087 O MET A 185 16.636 3.261 -4.122 1.00 25.41 O ATOM 1088 CB MET A 185 17.636 6.116 -2.527 1.00 51.42 C ATOM 1089 CG MET A 185 17.803 6.920 -1.248 1.00 2.20 C ATOM 1090 SD MET A 185 17.875 8.697 -1.548 1.00 63.34 S ATOM 1091 CE MET A 185 18.439 9.287 0.046 1.00 43.01 C ATOM 0 H MET A 185 18.909 3.673 -3.299 1.00 23.14 H new ATOM 0 HA MET A 185 16.924 4.512 -1.286 1.00 72.05 H new ATOM 0 HB2 MET A 185 18.543 6.207 -3.125 1.00 51.42 H new ATOM 0 HB3 MET A 185 16.823 6.546 -3.113 1.00 51.42 H new ATOM 0 HG2 MET A 185 16.973 6.702 -0.576 1.00 2.20 H new ATOM 0 HG3 MET A 185 18.715 6.604 -0.741 1.00 2.20 H new ATOM 0 HE1 MET A 185 18.533 10.373 0.020 1.00 43.01 H new ATOM 0 HE2 MET A 185 17.720 9.004 0.814 1.00 43.01 H new ATOM 0 HE3 MET A 185 19.408 8.844 0.276 1.00 43.01 H new ATOM 1101 N TYR A 186 15.122 4.678 -3.251 1.00 32.43 N ATOM 1102 CA TYR A 186 14.061 4.280 -4.168 1.00 54.34 C ATOM 1103 C TYR A 186 13.173 5.469 -4.522 1.00 14.50 C ATOM 1104 O TYR A 186 12.781 6.218 -3.627 1.00 64.44 O ATOM 1105 CB TYR A 186 13.216 3.164 -3.552 1.00 14.33 C ATOM 1106 CG TYR A 186 12.155 2.623 -4.483 1.00 60.42 C ATOM 1107 CD1 TYR A 186 12.471 1.680 -5.454 1.00 41.22 C ATOM 1108 CD2 TYR A 186 10.837 3.054 -4.393 1.00 63.34 C ATOM 1109 CE1 TYR A 186 11.506 1.183 -6.308 1.00 73.20 C ATOM 1110 CE2 TYR A 186 9.865 2.561 -5.242 1.00 21.21 C ATOM 1111 CZ TYR A 186 10.204 1.626 -6.198 1.00 21.23 C ATOM 1112 OH TYR A 186 9.239 1.133 -7.046 1.00 12.52 O ATOM 0 H TYR A 186 14.853 5.400 -2.582 1.00 32.43 H new ATOM 0 HA TYR A 186 14.526 3.911 -5.082 1.00 54.34 H new ATOM 0 HB2 TYR A 186 13.872 2.348 -3.249 1.00 14.33 H new ATOM 0 HB3 TYR A 186 12.737 3.540 -2.648 1.00 14.33 H new ATOM 0 HD1 TYR A 186 13.489 1.330 -5.542 1.00 41.22 H new ATOM 0 HD2 TYR A 186 10.568 3.787 -3.647 1.00 63.34 H new ATOM 0 HE1 TYR A 186 11.769 0.452 -7.058 1.00 73.20 H new ATOM 0 HE2 TYR A 186 8.845 2.906 -5.158 1.00 21.21 H new ATOM 0 HH TYR A 186 9.666 0.624 -7.766 1.00 12.52 H new ATOM 1122 N CYS A 187 12.877 5.616 -5.805 1.00 61.43 N ATOM 1123 CA CYS A 187 12.039 6.712 -6.260 1.00 35.40 C ATOM 1124 C CYS A 187 10.654 6.151 -6.593 1.00 3.31 C ATOM 1125 O CYS A 187 10.508 5.108 -7.229 1.00 72.33 O ATOM 1126 CB CYS A 187 12.660 7.443 -7.452 1.00 21.42 C ATOM 1127 SG CYS A 187 11.524 8.749 -8.047 1.00 24.55 S ATOM 0 H CYS A 187 13.203 4.994 -6.544 1.00 61.43 H new ATOM 0 HA CYS A 187 11.949 7.456 -5.469 1.00 35.40 H new ATOM 0 HB2 CYS A 187 13.614 7.884 -7.162 1.00 21.42 H new ATOM 0 HB3 CYS A 187 12.867 6.736 -8.255 1.00 21.42 H new ATOM 0 HG CYS A 187 12.206 9.815 -8.345 1.00 24.55 H new ATOM 1132 N VAL A 188 9.633 6.874 -6.144 1.00 51.34 N ATOM 1133 CA VAL A 188 8.251 6.474 -6.381 1.00 11.22 C ATOM 1134 C VAL A 188 7.762 6.963 -7.740 1.00 1.04 C ATOM 1135 O VAL A 188 7.112 6.225 -8.481 1.00 63.01 O ATOM 1136 CB VAL A 188 7.314 7.016 -5.285 1.00 3.51 C ATOM 1137 CG1 VAL A 188 5.878 6.594 -5.553 1.00 12.11 C ATOM 1138 CG2 VAL A 188 7.771 6.544 -3.913 1.00 34.11 C ATOM 0 H VAL A 188 9.737 7.739 -5.614 1.00 51.34 H new ATOM 0 HA VAL A 188 8.229 5.384 -6.361 1.00 11.22 H new ATOM 0 HB VAL A 188 7.355 8.105 -5.301 1.00 3.51 H new ATOM 0 HG11 VAL A 188 5.231 6.986 -4.768 1.00 12.11 H new ATOM 0 HG12 VAL A 188 5.557 6.987 -6.518 1.00 12.11 H new ATOM 0 HG13 VAL A 188 5.815 5.506 -5.565 1.00 12.11 H new ATOM 0 HG21 VAL A 188 7.098 6.936 -3.151 1.00 34.11 H new ATOM 0 HG22 VAL A 188 7.760 5.455 -3.881 1.00 34.11 H new ATOM 0 HG23 VAL A 188 8.783 6.903 -3.723 1.00 34.11 H new ATOM 1148 N THR A 189 8.079 8.213 -8.062 1.00 0.32 N ATOM 1149 CA THR A 189 7.672 8.802 -9.331 1.00 51.12 C ATOM 1150 C THR A 189 8.178 7.976 -10.508 1.00 71.30 C ATOM 1151 O THR A 189 7.607 8.016 -11.598 1.00 60.11 O ATOM 1152 CB THR A 189 8.189 10.246 -9.472 1.00 44.05 C ATOM 1153 OG1 THR A 189 7.721 11.043 -8.379 1.00 42.41 O ATOM 1154 CG2 THR A 189 7.731 10.859 -10.787 1.00 15.22 C ATOM 0 H THR A 189 8.617 8.837 -7.461 1.00 0.32 H new ATOM 0 HA THR A 189 6.582 8.812 -9.339 1.00 51.12 H new ATOM 0 HB THR A 189 9.279 10.221 -9.462 1.00 44.05 H new ATOM 0 HG1 THR A 189 8.056 11.959 -8.475 1.00 42.41 H new ATOM 0 HG21 THR A 189 8.108 11.879 -10.864 1.00 15.22 H new ATOM 0 HG22 THR A 189 8.114 10.267 -11.618 1.00 15.22 H new ATOM 0 HG23 THR A 189 6.642 10.872 -10.823 1.00 15.22 H new ATOM 1162 N ASP A 190 9.251 7.227 -10.281 1.00 22.33 N ATOM 1163 CA ASP A 190 9.833 6.389 -11.323 1.00 22.55 C ATOM 1164 C ASP A 190 9.667 4.910 -10.986 1.00 62.23 C ATOM 1165 O ASP A 190 9.754 4.050 -11.863 1.00 44.01 O ATOM 1166 CB ASP A 190 11.315 6.720 -11.505 1.00 23.34 C ATOM 1167 CG ASP A 190 11.536 8.135 -12.000 1.00 55.34 C ATOM 1168 OD1 ASP A 190 10.628 8.679 -12.663 1.00 12.40 O ATOM 1169 OD2 ASP A 190 12.616 8.699 -11.726 1.00 60.14 O ATOM 0 H ASP A 190 9.736 7.183 -9.385 1.00 22.33 H new ATOM 0 HA ASP A 190 9.306 6.592 -12.255 1.00 22.55 H new ATOM 0 HB2 ASP A 190 11.833 6.585 -10.556 1.00 23.34 H new ATOM 0 HB3 ASP A 190 11.757 6.018 -12.212 1.00 23.34 H new ATOM 1174 N ASP A 191 9.429 4.621 -9.712 1.00 11.54 N ATOM 1175 CA ASP A 191 9.251 3.247 -9.259 1.00 73.31 C ATOM 1176 C ASP A 191 10.526 2.436 -9.468 1.00 3.44 C ATOM 1177 O ASP A 191 10.474 1.229 -9.699 1.00 62.14 O ATOM 1178 CB ASP A 191 8.087 2.589 -10.002 1.00 51.34 C ATOM 1179 CG ASP A 191 7.138 1.865 -9.068 1.00 23.33 C ATOM 1180 OD1 ASP A 191 6.639 2.503 -8.117 1.00 60.40 O ATOM 1181 OD2 ASP A 191 6.895 0.660 -9.287 1.00 74.04 O ATOM 0 H ASP A 191 9.355 5.321 -8.974 1.00 11.54 H new ATOM 0 HA ASP A 191 9.026 3.269 -8.193 1.00 73.31 H new ATOM 0 HB2 ASP A 191 7.537 3.350 -10.556 1.00 51.34 H new ATOM 0 HB3 ASP A 191 8.480 1.884 -10.734 1.00 51.34 H new ATOM 1186 N GLN A 192 11.669 3.110 -9.384 1.00 62.44 N ATOM 1187 CA GLN A 192 12.958 2.452 -9.566 1.00 32.31 C ATOM 1188 C GLN A 192 13.887 2.741 -8.392 1.00 11.14 C ATOM 1189 O GLN A 192 13.538 3.493 -7.481 1.00 12.14 O ATOM 1190 CB GLN A 192 13.609 2.910 -10.872 1.00 11.31 C ATOM 1191 CG GLN A 192 13.556 1.868 -11.977 1.00 75.01 C ATOM 1192 CD GLN A 192 14.927 1.533 -12.530 1.00 32.42 C ATOM 1193 OE1 GLN A 192 15.932 1.624 -11.825 1.00 3.50 O ATOM 1194 NE2 GLN A 192 14.975 1.141 -13.798 1.00 33.14 N ATOM 0 H GLN A 192 11.729 4.110 -9.191 1.00 62.44 H new ATOM 0 HA GLN A 192 12.785 1.377 -9.613 1.00 32.31 H new ATOM 0 HB2 GLN A 192 13.114 3.818 -11.216 1.00 11.31 H new ATOM 0 HB3 GLN A 192 14.650 3.169 -10.678 1.00 11.31 H new ATOM 0 HG2 GLN A 192 13.092 0.960 -11.593 1.00 75.01 H new ATOM 0 HG3 GLN A 192 12.922 2.233 -12.785 1.00 75.01 H new ATOM 0 HE21 GLN A 192 14.117 1.080 -14.346 1.00 33.14 H new ATOM 0 HE22 GLN A 192 15.870 0.901 -14.224 1.00 33.14 H new ATOM 1203 N LEU A 193 15.071 2.140 -8.419 1.00 21.34 N ATOM 1204 CA LEU A 193 16.052 2.332 -7.356 1.00 14.42 C ATOM 1205 C LEU A 193 17.068 3.403 -7.740 1.00 14.31 C ATOM 1206 O LEU A 193 17.325 3.633 -8.922 1.00 24.40 O ATOM 1207 CB LEU A 193 16.770 1.016 -7.053 1.00 42.51 C ATOM 1208 CG LEU A 193 15.974 -0.014 -6.252 1.00 60.30 C ATOM 1209 CD1 LEU A 193 16.423 -1.425 -6.602 1.00 11.42 C ATOM 1210 CD2 LEU A 193 16.123 0.240 -4.759 1.00 72.11 C ATOM 0 H LEU A 193 15.376 1.515 -9.166 1.00 21.34 H new ATOM 0 HA LEU A 193 15.523 2.663 -6.462 1.00 14.42 H new ATOM 0 HB2 LEU A 193 17.067 0.561 -7.998 1.00 42.51 H new ATOM 0 HB3 LEU A 193 17.686 1.242 -6.507 1.00 42.51 H new ATOM 0 HG LEU A 193 14.921 0.086 -6.514 1.00 60.30 H new ATOM 0 HD11 LEU A 193 15.845 -2.145 -6.022 1.00 11.42 H new ATOM 0 HD12 LEU A 193 16.264 -1.604 -7.665 1.00 11.42 H new ATOM 0 HD13 LEU A 193 17.482 -1.538 -6.370 1.00 11.42 H new ATOM 0 HD21 LEU A 193 15.550 -0.503 -4.205 1.00 72.11 H new ATOM 0 HD22 LEU A 193 17.174 0.168 -4.481 1.00 72.11 H new ATOM 0 HD23 LEU A 193 15.752 1.237 -4.521 1.00 72.11 H new ATOM 1222 N ILE A 194 17.643 4.054 -6.734 1.00 74.11 N ATOM 1223 CA ILE A 194 18.633 5.098 -6.967 1.00 31.21 C ATOM 1224 C ILE A 194 19.645 5.160 -5.828 1.00 33.52 C ATOM 1225 O ILE A 194 19.526 4.392 -4.874 1.00 71.32 O ATOM 1226 CB ILE A 194 17.969 6.479 -7.124 1.00 60.54 C ATOM 1227 CG1 ILE A 194 17.297 6.898 -5.815 1.00 73.44 C ATOM 1228 CG2 ILE A 194 16.958 6.454 -8.261 1.00 62.41 C ATOM 1229 CD1 ILE A 194 16.642 8.259 -5.882 1.00 14.43 C ATOM 0 H ILE A 194 17.440 3.877 -5.750 1.00 74.11 H new ATOM 0 HA ILE A 194 19.147 4.844 -7.894 1.00 31.21 H new ATOM 0 HB ILE A 194 18.740 7.211 -7.365 1.00 60.54 H new ATOM 0 HG12 ILE A 194 16.546 6.155 -5.547 1.00 73.44 H new ATOM 0 HG13 ILE A 194 18.041 6.900 -5.018 1.00 73.44 H new ATOM 0 HG21 ILE A 194 16.497 7.437 -8.360 1.00 62.41 H new ATOM 0 HG22 ILE A 194 17.463 6.195 -9.191 1.00 62.41 H new ATOM 0 HG23 ILE A 194 16.188 5.712 -8.047 1.00 62.41 H new ATOM 0 HD11 ILE A 194 16.186 8.491 -4.920 1.00 14.43 H new ATOM 0 HD12 ILE A 194 17.393 9.013 -6.119 1.00 14.43 H new ATOM 0 HD13 ILE A 194 15.874 8.256 -6.656 1.00 14.43 H new ATOM 1241 N CYS A 195 20.606 6.063 -5.949 1.00 24.24 N ATOM 1242 CA CYS A 195 21.625 6.213 -4.923 1.00 40.24 C ATOM 1243 C CYS A 195 21.457 7.590 -4.278 1.00 21.14 C ATOM 1244 O CYS A 195 20.992 8.548 -4.895 1.00 33.54 O ATOM 1245 CB CYS A 195 23.032 6.017 -5.491 1.00 63.01 C ATOM 1246 SG CYS A 195 23.479 7.433 -6.561 1.00 12.25 S ATOM 0 H CYS A 195 20.701 6.698 -6.741 1.00 24.24 H new ATOM 0 HA CYS A 195 21.499 5.440 -4.165 1.00 40.24 H new ATOM 0 HB2 CYS A 195 23.752 5.924 -4.678 1.00 63.01 H new ATOM 0 HB3 CYS A 195 23.076 5.090 -6.063 1.00 63.01 H new ATOM 0 HG CYS A 195 24.676 7.257 -7.037 1.00 12.25 H new ATOM 1251 N ALA A 196 21.850 7.668 -3.010 1.00 71.53 N ATOM 1252 CA ALA A 196 21.756 8.911 -2.256 1.00 42.43 C ATOM 1253 C ALA A 196 22.515 10.035 -2.954 1.00 61.02 C ATOM 1254 O ALA A 196 22.159 11.208 -2.833 1.00 33.24 O ATOM 1255 CB ALA A 196 22.285 8.713 -0.843 1.00 54.23 C ATOM 0 H ALA A 196 22.237 6.884 -2.484 1.00 71.53 H new ATOM 0 HA ALA A 196 20.705 9.196 -2.202 1.00 42.43 H new ATOM 0 HB1 ALA A 196 22.209 9.650 -0.291 1.00 54.23 H new ATOM 0 HB2 ALA A 196 21.697 7.946 -0.339 1.00 54.23 H new ATOM 0 HB3 ALA A 196 23.329 8.401 -0.886 1.00 54.23 H new ATOM 1261 N LEU A 197 23.563 9.670 -3.685 1.00 31.04 N ATOM 1262 CA LEU A 197 24.373 10.648 -4.402 1.00 64.01 C ATOM 1263 C LEU A 197 23.584 11.274 -5.547 1.00 41.23 C ATOM 1264 O LEU A 197 23.937 12.363 -5.997 1.00 65.05 O ATOM 1265 CB LEU A 197 25.643 9.989 -4.943 1.00 62.33 C ATOM 1266 CG LEU A 197 26.725 10.938 -5.459 1.00 2.34 C ATOM 1267 CD1 LEU A 197 27.607 11.414 -4.315 1.00 21.25 C ATOM 1268 CD2 LEU A 197 27.562 10.260 -6.533 1.00 43.03 C ATOM 0 H LEU A 197 23.871 8.704 -3.796 1.00 31.04 H new ATOM 0 HA LEU A 197 24.650 11.437 -3.702 1.00 64.01 H new ATOM 0 HB2 LEU A 197 26.074 9.374 -4.153 1.00 62.33 H new ATOM 0 HB3 LEU A 197 25.362 9.316 -5.753 1.00 62.33 H new ATOM 0 HG LEU A 197 26.238 11.807 -5.901 1.00 2.34 H new ATOM 0 HD11 LEU A 197 28.371 12.088 -4.701 1.00 21.25 H new ATOM 0 HD12 LEU A 197 26.997 11.939 -3.580 1.00 21.25 H new ATOM 0 HD13 LEU A 197 28.085 10.556 -3.843 1.00 21.25 H new ATOM 0 HD21 LEU A 197 28.327 10.951 -6.888 1.00 43.03 H new ATOM 0 HD22 LEU A 197 28.039 9.373 -6.116 1.00 43.03 H new ATOM 0 HD23 LEU A 197 26.920 9.970 -7.365 1.00 43.03 H new ATOM 1280 N CYS A 198 22.543 10.582 -5.987 1.00 43.31 N ATOM 1281 CA CYS A 198 21.717 11.082 -7.073 1.00 1.33 C ATOM 1282 C CYS A 198 20.746 12.117 -6.500 1.00 61.23 C ATOM 1283 O CYS A 198 20.458 13.149 -7.107 1.00 22.03 O ATOM 1284 CB CYS A 198 20.984 9.949 -7.794 1.00 1.22 C ATOM 1285 SG CYS A 198 22.017 9.305 -9.160 1.00 42.32 S ATOM 0 H CYS A 198 22.253 9.679 -5.611 1.00 43.31 H new ATOM 0 HA CYS A 198 22.348 11.555 -7.826 1.00 1.33 H new ATOM 0 HB2 CYS A 198 20.755 9.148 -7.091 1.00 1.22 H new ATOM 0 HB3 CYS A 198 20.033 10.311 -8.185 1.00 1.22 H new ATOM 0 HG CYS A 198 22.867 8.441 -8.691 1.00 42.32 H new ATOM 1290 N LYS A 199 20.243 11.815 -5.308 1.00 40.40 N ATOM 1291 CA LYS A 199 19.304 12.699 -4.627 1.00 43.44 C ATOM 1292 C LYS A 199 20.006 13.960 -4.132 1.00 33.03 C ATOM 1293 O LYS A 199 19.378 15.006 -3.962 1.00 40.23 O ATOM 1294 CB LYS A 199 18.648 11.972 -3.452 1.00 10.34 C ATOM 1295 CG LYS A 199 17.336 12.595 -3.008 1.00 34.25 C ATOM 1296 CD LYS A 199 17.061 12.327 -1.537 1.00 73.23 C ATOM 1297 CE LYS A 199 16.030 13.295 -0.977 1.00 41.45 C ATOM 1298 NZ LYS A 199 16.113 13.397 0.506 1.00 41.21 N ATOM 0 H LYS A 199 20.470 10.964 -4.793 1.00 40.40 H new ATOM 0 HA LYS A 199 18.534 12.990 -5.341 1.00 43.44 H new ATOM 0 HB2 LYS A 199 18.471 10.933 -3.731 1.00 10.34 H new ATOM 0 HB3 LYS A 199 19.340 11.962 -2.610 1.00 10.34 H new ATOM 0 HG2 LYS A 199 17.365 13.670 -3.184 1.00 34.25 H new ATOM 0 HG3 LYS A 199 16.520 12.195 -3.610 1.00 34.25 H new ATOM 0 HD2 LYS A 199 16.706 11.304 -1.413 1.00 73.23 H new ATOM 0 HD3 LYS A 199 17.988 12.414 -0.971 1.00 73.23 H new ATOM 0 HE2 LYS A 199 16.180 14.281 -1.418 1.00 41.45 H new ATOM 0 HE3 LYS A 199 15.031 12.967 -1.263 1.00 41.45 H new ATOM 0 HZ1 LYS A 199 15.394 14.066 0.849 1.00 41.21 H new ATOM 0 HZ2 LYS A 199 15.945 12.462 0.928 1.00 41.21 H new ATOM 0 HZ3 LYS A 199 17.058 13.735 0.778 1.00 41.21 H new ATOM 1312 N LEU A 200 21.310 13.854 -3.902 1.00 52.31 N ATOM 1313 CA LEU A 200 22.097 14.987 -3.427 1.00 64.32 C ATOM 1314 C LEU A 200 22.414 15.947 -4.569 1.00 61.13 C ATOM 1315 O LEU A 200 22.126 17.141 -4.488 1.00 44.12 O ATOM 1316 CB LEU A 200 23.395 14.496 -2.783 1.00 43.32 C ATOM 1317 CG LEU A 200 23.915 15.323 -1.606 1.00 72.14 C ATOM 1318 CD1 LEU A 200 24.255 14.421 -0.430 1.00 11.53 C ATOM 1319 CD2 LEU A 200 25.129 16.140 -2.023 1.00 62.32 C ATOM 0 H LEU A 200 21.845 12.996 -4.037 1.00 52.31 H new ATOM 0 HA LEU A 200 21.507 15.521 -2.682 1.00 64.32 H new ATOM 0 HB2 LEU A 200 23.243 13.472 -2.443 1.00 43.32 H new ATOM 0 HB3 LEU A 200 24.169 14.466 -3.550 1.00 43.32 H new ATOM 0 HG LEU A 200 23.129 16.011 -1.295 1.00 72.14 H new ATOM 0 HD11 LEU A 200 24.623 15.026 0.398 1.00 11.53 H new ATOM 0 HD12 LEU A 200 23.362 13.881 -0.116 1.00 11.53 H new ATOM 0 HD13 LEU A 200 25.024 13.708 -0.728 1.00 11.53 H new ATOM 0 HD21 LEU A 200 25.485 16.722 -1.173 1.00 62.32 H new ATOM 0 HD22 LEU A 200 25.920 15.470 -2.361 1.00 62.32 H new ATOM 0 HD23 LEU A 200 24.853 16.814 -2.834 1.00 62.32 H new ATOM 1331 N VAL A 201 23.007 15.416 -5.634 1.00 53.44 N ATOM 1332 CA VAL A 201 23.360 16.225 -6.795 1.00 14.30 C ATOM 1333 C VAL A 201 22.163 17.032 -7.287 1.00 21.01 C ATOM 1334 O VAL A 201 22.316 18.142 -7.794 1.00 51.23 O ATOM 1335 CB VAL A 201 23.885 15.351 -7.949 1.00 42.53 C ATOM 1336 CG1 VAL A 201 24.217 16.210 -9.160 1.00 63.35 C ATOM 1337 CG2 VAL A 201 25.100 14.553 -7.502 1.00 4.21 C ATOM 0 H VAL A 201 23.253 14.430 -5.717 1.00 53.44 H new ATOM 0 HA VAL A 201 24.149 16.907 -6.478 1.00 14.30 H new ATOM 0 HB VAL A 201 23.103 14.648 -8.235 1.00 42.53 H new ATOM 0 HG11 VAL A 201 24.587 15.576 -9.966 1.00 63.35 H new ATOM 0 HG12 VAL A 201 23.320 16.733 -9.492 1.00 63.35 H new ATOM 0 HG13 VAL A 201 24.983 16.938 -8.891 1.00 63.35 H new ATOM 0 HG21 VAL A 201 25.458 13.941 -8.330 1.00 4.21 H new ATOM 0 HG22 VAL A 201 25.889 15.237 -7.188 1.00 4.21 H new ATOM 0 HG23 VAL A 201 24.825 13.909 -6.667 1.00 4.21 H new ATOM 1347 N GLY A 202 20.970 16.465 -7.132 1.00 42.34 N ATOM 1348 CA GLY A 202 19.764 17.146 -7.566 1.00 31.04 C ATOM 1349 C GLY A 202 19.013 16.373 -8.631 1.00 71.05 C ATOM 1350 O GLY A 202 18.178 16.933 -9.342 1.00 13.25 O ATOM 0 H GLY A 202 20.817 15.547 -6.714 1.00 42.34 H new ATOM 0 HA2 GLY A 202 19.111 17.304 -6.708 1.00 31.04 H new ATOM 0 HA3 GLY A 202 20.026 18.131 -7.953 1.00 31.04 H new ATOM 1354 N ARG A 203 19.311 15.083 -8.745 1.00 63.14 N ATOM 1355 CA ARG A 203 18.660 14.233 -9.735 1.00 22.44 C ATOM 1356 C ARG A 203 17.280 13.797 -9.252 1.00 73.45 C ATOM 1357 O ARG A 203 16.312 13.808 -10.014 1.00 62.34 O ATOM 1358 CB ARG A 203 19.522 13.003 -10.028 1.00 32.14 C ATOM 1359 CG ARG A 203 19.660 12.695 -11.510 1.00 33.14 C ATOM 1360 CD ARG A 203 20.755 11.671 -11.766 1.00 53.53 C ATOM 1361 NE ARG A 203 21.652 12.087 -12.841 1.00 55.43 N ATOM 1362 CZ ARG A 203 22.513 11.270 -13.437 1.00 54.45 C ATOM 1363 NH1 ARG A 203 22.593 10.000 -13.066 1.00 13.34 N ATOM 1364 NH2 ARG A 203 23.296 11.723 -14.408 1.00 54.33 N ATOM 0 H ARG A 203 19.999 14.603 -8.164 1.00 63.14 H new ATOM 0 HA ARG A 203 18.540 14.811 -10.652 1.00 22.44 H new ATOM 0 HB2 ARG A 203 20.514 13.156 -9.603 1.00 32.14 H new ATOM 0 HB3 ARG A 203 19.089 12.138 -9.525 1.00 32.14 H new ATOM 0 HG2 ARG A 203 18.712 12.319 -11.895 1.00 33.14 H new ATOM 0 HG3 ARG A 203 19.884 13.613 -12.054 1.00 33.14 H new ATOM 0 HD2 ARG A 203 21.330 11.519 -10.853 1.00 53.53 H new ATOM 0 HD3 ARG A 203 20.303 10.713 -12.021 1.00 53.53 H new ATOM 0 HE ARG A 203 21.615 13.058 -13.151 1.00 55.43 H new ATOM 0 HH11 ARG A 203 21.992 9.648 -12.321 1.00 13.34 H new ATOM 0 HH12 ARG A 203 23.255 9.375 -13.526 1.00 13.34 H new ATOM 0 HH21 ARG A 203 23.237 12.699 -14.697 1.00 54.33 H new ATOM 0 HH22 ARG A 203 23.957 11.095 -14.865 1.00 54.33 H new ATOM 1378 N HIS A 204 17.196 13.412 -7.983 1.00 0.33 N ATOM 1379 CA HIS A 204 15.934 12.972 -7.399 1.00 11.44 C ATOM 1380 C HIS A 204 15.651 13.714 -6.096 1.00 34.13 C ATOM 1381 O HIS A 204 14.967 13.197 -5.212 1.00 23.41 O ATOM 1382 CB HIS A 204 15.963 11.465 -7.145 1.00 70.12 C ATOM 1383 CG HIS A 204 16.061 10.649 -8.397 1.00 61.22 C ATOM 1384 ND1 HIS A 204 14.960 10.136 -9.050 1.00 32.15 N ATOM 1385 CD2 HIS A 204 17.139 10.259 -9.118 1.00 14.02 C ATOM 1386 CE1 HIS A 204 15.356 9.464 -10.116 1.00 52.41 C ATOM 1387 NE2 HIS A 204 16.674 9.524 -10.181 1.00 13.24 N ATOM 0 H HIS A 204 17.987 13.396 -7.339 1.00 0.33 H new ATOM 0 HA HIS A 204 15.136 13.198 -8.106 1.00 11.44 H new ATOM 0 HB2 HIS A 204 16.810 11.230 -6.500 1.00 70.12 H new ATOM 0 HB3 HIS A 204 15.061 11.179 -6.604 1.00 70.12 H new ATOM 0 HD1 HIS A 204 13.991 10.257 -8.756 1.00 32.15 H new ATOM 0 HD2 HIS A 204 18.172 10.484 -8.898 1.00 14.02 H new ATOM 0 HE1 HIS A 204 14.712 8.952 -10.816 1.00 52.41 H new ATOM 1394 N ARG A 205 16.181 14.927 -5.984 1.00 12.43 N ATOM 1395 CA ARG A 205 15.986 15.739 -4.788 1.00 64.31 C ATOM 1396 C ARG A 205 14.527 16.163 -4.650 1.00 61.22 C ATOM 1397 O ARG A 205 13.920 15.998 -3.592 1.00 53.01 O ATOM 1398 CB ARG A 205 16.886 16.975 -4.833 1.00 51.32 C ATOM 1399 CG ARG A 205 17.106 17.618 -3.474 1.00 13.53 C ATOM 1400 CD ARG A 205 17.598 19.051 -3.608 1.00 63.22 C ATOM 1401 NE ARG A 205 17.014 19.928 -2.597 1.00 71.12 N ATOM 1402 CZ ARG A 205 17.423 19.968 -1.334 1.00 31.10 C ATOM 1403 NH1 ARG A 205 18.413 19.185 -0.929 1.00 63.12 N ATOM 1404 NH2 ARG A 205 16.841 20.793 -0.473 1.00 21.12 N ATOM 0 H ARG A 205 16.749 15.370 -6.706 1.00 12.43 H new ATOM 0 HA ARG A 205 16.254 15.135 -3.921 1.00 64.31 H new ATOM 0 HB2 ARG A 205 17.852 16.696 -5.254 1.00 51.32 H new ATOM 0 HB3 ARG A 205 16.446 17.710 -5.506 1.00 51.32 H new ATOM 0 HG2 ARG A 205 16.174 17.604 -2.908 1.00 13.53 H new ATOM 0 HG3 ARG A 205 17.832 17.035 -2.908 1.00 13.53 H new ATOM 0 HD2 ARG A 205 18.684 19.071 -3.521 1.00 63.22 H new ATOM 0 HD3 ARG A 205 17.351 19.428 -4.601 1.00 63.22 H new ATOM 0 HE ARG A 205 16.250 20.544 -2.876 1.00 71.12 H new ATOM 0 HH11 ARG A 205 18.863 18.550 -1.588 1.00 63.12 H new ATOM 0 HH12 ARG A 205 18.725 19.218 0.042 1.00 63.12 H new ATOM 0 HH21 ARG A 205 16.079 21.397 -0.781 1.00 21.12 H new ATOM 0 HH22 ARG A 205 17.156 20.823 0.497 1.00 21.12 H new ATOM 1418 N ASP A 206 13.971 16.710 -5.726 1.00 23.33 N ATOM 1419 CA ASP A 206 12.583 17.157 -5.725 1.00 44.23 C ATOM 1420 C ASP A 206 11.629 15.968 -5.772 1.00 60.03 C ATOM 1421 O ASP A 206 10.424 16.117 -5.567 1.00 51.22 O ATOM 1422 CB ASP A 206 12.323 18.083 -6.915 1.00 23.04 C ATOM 1423 CG ASP A 206 13.075 19.395 -6.803 1.00 22.35 C ATOM 1424 OD1 ASP A 206 13.697 19.633 -5.746 1.00 41.14 O ATOM 1425 OD2 ASP A 206 13.041 20.183 -7.771 1.00 11.35 O ATOM 0 H ASP A 206 14.460 16.854 -6.609 1.00 23.33 H new ATOM 0 HA ASP A 206 12.404 17.706 -4.801 1.00 44.23 H new ATOM 0 HB2 ASP A 206 12.615 17.578 -7.836 1.00 23.04 H new ATOM 0 HB3 ASP A 206 11.254 18.285 -6.988 1.00 23.04 H new ATOM 1430 N HIS A 207 12.176 14.787 -6.045 1.00 13.33 N ATOM 1431 CA HIS A 207 11.373 13.572 -6.119 1.00 73.03 C ATOM 1432 C HIS A 207 11.032 13.059 -4.723 1.00 43.22 C ATOM 1433 O HIS A 207 11.652 13.459 -3.738 1.00 34.13 O ATOM 1434 CB HIS A 207 12.116 12.491 -6.905 1.00 4.52 C ATOM 1435 CG HIS A 207 11.892 12.565 -8.384 1.00 31.32 C ATOM 1436 ND1 HIS A 207 12.414 11.647 -9.271 1.00 34.44 N ATOM 1437 CD2 HIS A 207 11.196 13.453 -9.131 1.00 14.33 C ATOM 1438 CE1 HIS A 207 12.049 11.968 -10.499 1.00 43.30 C ATOM 1439 NE2 HIS A 207 11.309 13.061 -10.442 1.00 21.34 N ATOM 0 H HIS A 207 13.171 14.646 -6.218 1.00 13.33 H new ATOM 0 HA HIS A 207 10.444 13.812 -6.635 1.00 73.03 H new ATOM 0 HB2 HIS A 207 13.184 12.576 -6.703 1.00 4.52 H new ATOM 0 HB3 HIS A 207 11.800 11.511 -6.547 1.00 4.52 H new ATOM 0 HD2 HIS A 207 10.652 14.311 -8.764 1.00 14.33 H new ATOM 0 HE1 HIS A 207 12.311 11.429 -11.397 1.00 43.30 H new ATOM 0 HE2 HIS A 207 10.890 13.536 -11.241 1.00 21.34 H new ATOM 1446 N GLN A 208 10.044 12.173 -4.648 1.00 2.40 N ATOM 1447 CA GLN A 208 9.621 11.608 -3.372 1.00 64.12 C ATOM 1448 C GLN A 208 10.188 10.205 -3.184 1.00 63.31 C ATOM 1449 O GLN A 208 9.633 9.227 -3.685 1.00 52.14 O ATOM 1450 CB GLN A 208 8.095 11.569 -3.288 1.00 55.45 C ATOM 1451 CG GLN A 208 7.567 11.421 -1.871 1.00 35.13 C ATOM 1452 CD GLN A 208 6.225 10.717 -1.818 1.00 70.13 C ATOM 1453 OE1 GLN A 208 5.392 10.876 -2.711 1.00 41.02 O ATOM 1454 NE2 GLN A 208 6.008 9.932 -0.769 1.00 43.40 N ATOM 0 H GLN A 208 9.522 11.831 -5.455 1.00 2.40 H new ATOM 0 HA GLN A 208 10.005 12.246 -2.576 1.00 64.12 H new ATOM 0 HB2 GLN A 208 7.692 12.484 -3.723 1.00 55.45 H new ATOM 0 HB3 GLN A 208 7.727 10.740 -3.892 1.00 55.45 H new ATOM 0 HG2 GLN A 208 8.289 10.863 -1.275 1.00 35.13 H new ATOM 0 HG3 GLN A 208 7.473 12.408 -1.417 1.00 35.13 H new ATOM 0 HE21 GLN A 208 6.726 9.829 -0.052 1.00 43.40 H new ATOM 0 HE22 GLN A 208 5.123 9.432 -0.680 1.00 43.40 H new ATOM 1463 N VAL A 209 11.298 10.113 -2.458 1.00 63.55 N ATOM 1464 CA VAL A 209 11.940 8.829 -2.203 1.00 65.44 C ATOM 1465 C VAL A 209 11.831 8.442 -0.733 1.00 34.22 C ATOM 1466 O VAL A 209 11.332 9.212 0.087 1.00 53.54 O ATOM 1467 CB VAL A 209 13.427 8.855 -2.606 1.00 71.33 C ATOM 1468 CG1 VAL A 209 13.572 9.135 -4.094 1.00 60.23 C ATOM 1469 CG2 VAL A 209 14.183 9.888 -1.785 1.00 22.43 C ATOM 0 H VAL A 209 11.771 10.912 -2.036 1.00 63.55 H new ATOM 0 HA VAL A 209 11.419 8.089 -2.810 1.00 65.44 H new ATOM 0 HB VAL A 209 13.858 7.875 -2.401 1.00 71.33 H new ATOM 0 HG11 VAL A 209 14.629 9.150 -4.360 1.00 60.23 H new ATOM 0 HG12 VAL A 209 13.065 8.355 -4.662 1.00 60.23 H new ATOM 0 HG13 VAL A 209 13.126 10.102 -4.328 1.00 60.23 H new ATOM 0 HG21 VAL A 209 15.232 9.893 -2.083 1.00 22.43 H new ATOM 0 HG22 VAL A 209 13.753 10.875 -1.956 1.00 22.43 H new ATOM 0 HG23 VAL A 209 14.107 9.638 -0.727 1.00 22.43 H new ATOM 1479 N ALA A 210 12.301 7.243 -0.405 1.00 73.44 N ATOM 1480 CA ALA A 210 12.258 6.754 0.967 1.00 33.11 C ATOM 1481 C ALA A 210 13.650 6.373 1.458 1.00 62.41 C ATOM 1482 O ALA A 210 14.426 5.752 0.732 1.00 61.11 O ATOM 1483 CB ALA A 210 11.314 5.565 1.075 1.00 41.21 C ATOM 0 H ALA A 210 12.716 6.592 -1.072 1.00 73.44 H new ATOM 0 HA ALA A 210 11.885 7.558 1.601 1.00 33.11 H new ATOM 0 HB1 ALA A 210 11.292 5.210 2.105 1.00 41.21 H new ATOM 0 HB2 ALA A 210 10.311 5.868 0.774 1.00 41.21 H new ATOM 0 HB3 ALA A 210 11.662 4.764 0.423 1.00 41.21 H new ATOM 1489 N ALA A 211 13.960 6.749 2.694 1.00 24.22 N ATOM 1490 CA ALA A 211 15.259 6.445 3.282 1.00 22.10 C ATOM 1491 C ALA A 211 15.110 5.566 4.519 1.00 14.34 C ATOM 1492 O ALA A 211 14.174 5.734 5.303 1.00 21.30 O ATOM 1493 CB ALA A 211 15.995 7.730 3.631 1.00 55.41 C ATOM 0 H ALA A 211 13.329 7.265 3.308 1.00 24.22 H new ATOM 0 HA ALA A 211 15.843 5.894 2.545 1.00 22.10 H new ATOM 0 HB1 ALA A 211 16.963 7.487 4.069 1.00 55.41 H new ATOM 0 HB2 ALA A 211 16.144 8.321 2.727 1.00 55.41 H new ATOM 0 HB3 ALA A 211 15.406 8.303 4.347 1.00 55.41 H new