USER MOD reduce.3.24.130724 H: found=0, std=0, add=599, rem=0, adj=21 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 157:sc= 0.0802 USER MOD Set 1.2: A 204 HIS : no HD1:sc= 0.421 K(o=1.7,f=-1.5) USER MOD Set 1.3: A 207 HIS : no HE2:sc= 1.18 K(o=1.7,f=-8.2!) USER MOD Set 2.1: A 175 CYS SG : rot 153:sc= 0.184 USER MOD Set 2.2: A 178 HIS : no HD1:sc= -0.934 K(o=-0.023,f=0.55) USER MOD Set 2.3: A 195 CYS SG : rot 180:sc= 0.239 USER MOD Set 2.4: A 198 CYS SG : rot 83:sc= 0.487 USER MOD Set 3.1: A 134 CYS SG : rot 38:sc= 0.989 USER MOD Set 3.2: A 137 CYS SG : rot 69:sc= 0 USER MOD Set 3.3: A 150 HIS : no HD1:sc= -0.488 K(o=0.32,f=-4.2!) USER MOD Set 3.4: A 159 HIS : no HE2:sc= -0.182 K(o=0.32,f=-4.9) USER MOD Set 4.1: A 133 THR OG1 : rot 90:sc= 0.495 USER MOD Set 4.2: A 140 SER OG : rot 83:sc= 1.3 USER MOD Set 5.1: A 119 CYS SG : rot -156:sc= 0.101 USER MOD Set 5.2: A 122 CYS SG : rot 34:sc= 0.161 USER MOD Set 5.3: A 124 GLN : amide:sc= -0.101 K(o=0.84,f=0.042) USER MOD Set 5.4: A 128 GLN : amide:sc= -0.605 K(o=0.84,f=0.042!) USER MOD Set 5.5: A 142 CYS SG : rot -136:sc= 0.0498 USER MOD Set 5.6: A 145 CYS SG : rot -149:sc= 1.23 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 GLN : amide:sc= -0.102 X(o=-0.1,f=0) USER MOD Single : A 132 LYS NZ :NH3+ -160:sc= -0.0541 (180deg=-0.373) USER MOD Single : A 136 THR OG1 : rot 140:sc= -0.382 USER MOD Single : A 141 TYR OH : rot -51:sc= 2.19 USER MOD Single : A 147 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 149 THR OG1 : rot -67:sc= 0.529 USER MOD Single : A 174 MET CE :methyl -152:sc= -0.282 (180deg=-1.01) USER MOD Single : A 182 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 184 ASN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 185 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 186 TYR OH : rot 141:sc= 0.192 USER MOD Single : A 189 THR OG1 : rot 180:sc= 0 USER MOD Single : A 192 GLN : amide:sc= -1.44 K(o=-1.4,f=-2.1) 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) USER MOD ----------------------------------------------------------------- ATOM 26 N LYS A 116 3.235 2.658 -4.874 1.00 43.33 N ATOM 27 CA LYS A 116 3.841 2.629 -6.200 1.00 42.33 C ATOM 28 C LYS A 116 2.916 3.262 -7.235 1.00 62.21 C ATOM 29 O LYS A 116 1.730 2.939 -7.302 1.00 21.01 O ATOM 30 CB LYS A 116 4.166 1.189 -6.604 1.00 1.24 C ATOM 31 CG LYS A 116 5.192 0.522 -5.704 1.00 44.40 C ATOM 32 CD LYS A 116 5.064 -0.991 -5.738 1.00 33.24 C ATOM 33 CE LYS A 116 6.321 -1.645 -6.289 1.00 24.53 C ATOM 34 NZ LYS A 116 6.218 -1.902 -7.752 1.00 13.21 N ATOM 0 HA LYS A 116 4.765 3.206 -6.162 1.00 42.33 H new ATOM 0 HB2 LYS A 116 3.248 0.601 -6.592 1.00 1.24 H new ATOM 0 HB3 LYS A 116 4.536 1.183 -7.629 1.00 1.24 H new ATOM 0 HG2 LYS A 116 6.195 0.810 -6.018 1.00 44.40 H new ATOM 0 HG3 LYS A 116 5.065 0.876 -4.681 1.00 44.40 H new ATOM 0 HD2 LYS A 116 4.870 -1.363 -4.732 1.00 33.24 H new ATOM 0 HD3 LYS A 116 4.208 -1.271 -6.352 1.00 33.24 H new ATOM 0 HE2 LYS A 116 7.180 -1.003 -6.093 1.00 24.53 H new ATOM 0 HE3 LYS A 116 6.500 -2.585 -5.767 1.00 24.53 H new ATOM 0 HZ1 LYS A 116 7.095 -2.348 -8.089 1.00 13.21 H new ATOM 0 HZ2 LYS A 116 5.414 -2.535 -7.938 1.00 13.21 H new ATOM 0 HZ3 LYS A 116 6.073 -1.002 -8.253 1.00 13.21 H new ATOM 48 N VAL A 117 3.467 4.164 -8.042 1.00 32.52 N ATOM 49 CA VAL A 117 2.692 4.839 -9.075 1.00 55.23 C ATOM 50 C VAL A 117 2.289 3.871 -10.182 1.00 65.01 C ATOM 51 O VAL A 117 3.092 3.047 -10.624 1.00 1.53 O ATOM 52 CB VAL A 117 3.480 6.009 -9.693 1.00 53.43 C ATOM 53 CG1 VAL A 117 4.727 5.500 -10.400 1.00 34.53 C ATOM 54 CG2 VAL A 117 2.599 6.798 -10.651 1.00 60.40 C ATOM 0 H VAL A 117 4.447 4.444 -8.000 1.00 32.52 H new ATOM 0 HA VAL A 117 1.795 5.228 -8.593 1.00 55.23 H new ATOM 0 HB VAL A 117 3.794 6.676 -8.890 1.00 53.43 H new ATOM 0 HG11 VAL A 117 5.270 6.341 -10.830 1.00 34.53 H new ATOM 0 HG12 VAL A 117 5.366 4.983 -9.684 1.00 34.53 H new ATOM 0 HG13 VAL A 117 4.439 4.810 -11.193 1.00 34.53 H new ATOM 0 HG21 VAL A 117 3.172 7.621 -11.078 1.00 60.40 H new ATOM 0 HG22 VAL A 117 2.253 6.143 -11.451 1.00 60.40 H new ATOM 0 HG23 VAL A 117 1.740 7.196 -10.111 1.00 60.40 H new ATOM 64 N LEU A 118 1.042 3.975 -10.627 1.00 42.13 N ATOM 65 CA LEU A 118 0.532 3.109 -11.684 1.00 63.43 C ATOM 66 C LEU A 118 0.844 3.688 -13.061 1.00 33.43 C ATOM 67 O LEU A 118 0.818 4.907 -13.221 1.00 20.11 O ATOM 68 CB LEU A 118 -0.977 2.916 -11.529 1.00 53.01 C ATOM 69 CG LEU A 118 -1.419 1.898 -10.477 1.00 74.15 C ATOM 70 CD1 LEU A 118 -2.678 2.374 -9.769 1.00 51.33 C ATOM 71 CD2 LEU A 118 -1.648 0.536 -11.117 1.00 21.14 C ATOM 0 H LEU A 118 0.365 4.651 -10.272 1.00 42.13 H new ATOM 0 HA LEU A 118 1.026 2.141 -11.597 1.00 63.43 H new ATOM 0 HB2 LEU A 118 -1.423 3.880 -11.283 1.00 53.01 H new ATOM 0 HB3 LEU A 118 -1.385 2.613 -12.493 1.00 53.01 H new ATOM 0 HG LEU A 118 -0.625 1.801 -9.736 1.00 74.15 H new ATOM 0 HD11 LEU A 118 -2.977 1.637 -9.024 1.00 51.33 H new ATOM 0 HD12 LEU A 118 -2.481 3.327 -9.278 1.00 51.33 H new ATOM 0 HD13 LEU A 118 -3.479 2.500 -10.497 1.00 51.33 H new ATOM 0 HD21 LEU A 118 -1.962 -0.176 -10.354 1.00 21.14 H new ATOM 0 HD22 LEU A 118 -2.424 0.618 -11.878 1.00 21.14 H new ATOM 0 HD23 LEU A 118 -0.723 0.190 -11.577 1.00 21.14 H new ATOM 83 N CYS A 119 1.126 2.811 -14.014 1.00 11.35 N ATOM 84 CA CYS A 119 1.436 3.248 -15.364 1.00 41.21 C ATOM 85 C CYS A 119 0.290 4.134 -15.858 1.00 22.15 C ATOM 86 O CYS A 119 -0.805 3.668 -16.172 1.00 25.14 O ATOM 87 CB CYS A 119 1.685 2.063 -16.299 1.00 75.12 C ATOM 88 SG CYS A 119 2.346 2.656 -17.899 1.00 62.20 S ATOM 0 H CYS A 119 1.146 1.800 -13.877 1.00 11.35 H new ATOM 0 HA CYS A 119 2.362 3.823 -15.359 1.00 41.21 H new ATOM 0 HB2 CYS A 119 2.389 1.369 -15.840 1.00 75.12 H new ATOM 0 HB3 CYS A 119 0.757 1.515 -16.460 1.00 75.12 H new ATOM 0 HG CYS A 119 2.087 1.782 -18.826 1.00 62.20 H new ATOM 93 N GLN A 120 0.570 5.432 -15.919 1.00 32.14 N ATOM 94 CA GLN A 120 -0.418 6.405 -16.368 1.00 52.35 C ATOM 95 C GLN A 120 -0.774 6.182 -17.835 1.00 31.14 C ATOM 96 O GLN A 120 -1.857 6.557 -18.285 1.00 62.34 O ATOM 97 CB GLN A 120 0.109 7.827 -16.170 1.00 51.52 C ATOM 98 CG GLN A 120 -0.903 8.768 -15.536 1.00 42.55 C ATOM 99 CD GLN A 120 -0.482 10.222 -15.623 1.00 41.33 C ATOM 100 OE1 GLN A 120 -0.346 10.903 -14.606 1.00 50.13 O ATOM 101 NE2 GLN A 120 -0.273 10.706 -16.842 1.00 3.50 N ATOM 0 H GLN A 120 1.472 5.833 -15.663 1.00 32.14 H new ATOM 0 HA GLN A 120 -1.319 6.272 -15.770 1.00 52.35 H new ATOM 0 HB2 GLN A 120 1.001 7.791 -15.545 1.00 51.52 H new ATOM 0 HB3 GLN A 120 0.413 8.231 -17.136 1.00 51.52 H new ATOM 0 HG2 GLN A 120 -1.868 8.643 -16.028 1.00 42.55 H new ATOM 0 HG3 GLN A 120 -1.041 8.496 -14.490 1.00 42.55 H new ATOM 0 HE21 GLN A 120 -0.398 10.106 -17.657 1.00 3.50 H new ATOM 0 HE22 GLN A 120 0.012 11.678 -16.963 1.00 3.50 H new ATOM 110 N PHE A 121 0.144 5.569 -18.575 1.00 2.45 N ATOM 111 CA PHE A 121 -0.072 5.297 -19.991 1.00 11.32 C ATOM 112 C PHE A 121 -0.473 3.841 -20.210 1.00 4.32 C ATOM 113 O PHE A 121 -0.026 3.233 -21.181 1.00 24.53 O ATOM 114 CB PHE A 121 1.192 5.616 -20.792 1.00 53.51 C ATOM 115 CG PHE A 121 1.277 7.050 -21.230 1.00 43.55 C ATOM 116 CD1 PHE A 121 0.932 8.075 -20.364 1.00 41.44 C ATOM 117 CD2 PHE A 121 1.702 7.374 -22.509 1.00 64.41 C ATOM 118 CE1 PHE A 121 1.010 9.396 -20.764 1.00 41.15 C ATOM 119 CE2 PHE A 121 1.783 8.692 -22.915 1.00 12.34 C ATOM 120 CZ PHE A 121 1.435 9.705 -22.042 1.00 20.22 C ATOM 0 H PHE A 121 1.045 5.251 -18.217 1.00 2.45 H new ATOM 0 HA PHE A 121 -0.884 5.935 -20.338 1.00 11.32 H new ATOM 0 HB2 PHE A 121 2.066 5.377 -20.187 1.00 53.51 H new ATOM 0 HB3 PHE A 121 1.227 4.973 -21.671 1.00 53.51 H new ATOM 0 HD1 PHE A 121 0.598 7.839 -19.364 1.00 41.44 H new ATOM 0 HD2 PHE A 121 1.973 6.586 -23.197 1.00 64.41 H new ATOM 0 HE1 PHE A 121 0.739 10.185 -20.079 1.00 41.15 H new ATOM 0 HE2 PHE A 121 2.118 8.930 -23.914 1.00 12.34 H new ATOM 0 HZ PHE A 121 1.495 10.736 -22.358 1.00 20.22 H new ATOM 130 N CYS A 122 -1.297 3.321 -19.312 1.00 41.04 N ATOM 131 CA CYS A 122 -1.746 1.943 -19.418 1.00 43.15 C ATOM 132 C CYS A 122 -3.257 1.947 -19.655 1.00 13.14 C ATOM 133 O CYS A 122 -4.011 2.709 -19.048 1.00 25.21 O ATOM 134 CB CYS A 122 -1.363 1.127 -18.182 1.00 73.12 C ATOM 135 SG CYS A 122 -0.165 -0.178 -18.640 1.00 5.12 S ATOM 0 H CYS A 122 -1.665 3.829 -18.508 1.00 41.04 H new ATOM 0 HA CYS A 122 -1.249 1.459 -20.259 1.00 43.15 H new ATOM 0 HB2 CYS A 122 -0.930 1.780 -17.425 1.00 73.12 H new ATOM 0 HB3 CYS A 122 -2.253 0.677 -17.743 1.00 73.12 H new ATOM 0 HG CYS A 122 0.611 0.259 -19.587 1.00 5.12 H new ATOM 140 N ASP A 123 -3.687 1.072 -20.557 1.00 42.11 N ATOM 141 CA ASP A 123 -5.101 0.953 -20.894 1.00 23.42 C ATOM 142 C ASP A 123 -5.552 -0.504 -20.836 1.00 42.53 C ATOM 143 O ASP A 123 -6.222 -0.991 -21.746 1.00 63.41 O ATOM 144 CB ASP A 123 -5.366 1.527 -22.286 1.00 65.14 C ATOM 145 CG ASP A 123 -6.762 2.102 -22.420 1.00 1.15 C ATOM 146 OD1 ASP A 123 -7.300 2.595 -21.406 1.00 32.42 O ATOM 147 OD2 ASP A 123 -7.316 2.061 -23.538 1.00 31.54 O ATOM 0 H ASP A 123 -3.077 0.434 -21.068 1.00 42.11 H new ATOM 0 HA ASP A 123 -5.673 1.522 -20.161 1.00 23.42 H new ATOM 0 HB2 ASP A 123 -4.634 2.305 -22.500 1.00 65.14 H new ATOM 0 HB3 ASP A 123 -5.226 0.744 -23.031 1.00 65.14 H new ATOM 152 N GLN A 124 -5.179 -1.191 -19.762 1.00 21.31 N ATOM 153 CA GLN A 124 -5.544 -2.592 -19.587 1.00 71.15 C ATOM 154 C GLN A 124 -6.891 -2.720 -18.885 1.00 15.05 C ATOM 155 O GLN A 124 -7.759 -3.478 -19.318 1.00 33.00 O ATOM 156 CB GLN A 124 -4.466 -3.326 -18.788 1.00 35.24 C ATOM 157 CG GLN A 124 -3.387 -3.954 -19.654 1.00 41.35 C ATOM 158 CD GLN A 124 -2.338 -4.687 -18.841 1.00 75.14 C ATOM 159 OE1 GLN A 124 -1.142 -4.428 -18.972 1.00 63.31 O ATOM 160 NE2 GLN A 124 -2.783 -5.609 -17.995 1.00 12.41 N ATOM 0 H GLN A 124 -4.624 -0.801 -19.000 1.00 21.31 H new ATOM 0 HA GLN A 124 -5.626 -3.046 -20.575 1.00 71.15 H new ATOM 0 HB2 GLN A 124 -4.001 -2.626 -18.094 1.00 35.24 H new ATOM 0 HB3 GLN A 124 -4.937 -4.105 -18.188 1.00 35.24 H new ATOM 0 HG2 GLN A 124 -3.848 -4.649 -20.355 1.00 41.35 H new ATOM 0 HG3 GLN A 124 -2.904 -3.177 -20.246 1.00 41.35 H new ATOM 0 HE21 GLN A 124 -3.784 -5.791 -17.919 1.00 12.41 H new ATOM 0 HE22 GLN A 124 -2.124 -6.135 -17.421 1.00 12.41 H new ATOM 169 N ASP A 125 -7.059 -1.975 -17.798 1.00 12.42 N ATOM 170 CA ASP A 125 -8.302 -2.004 -17.035 1.00 5.03 C ATOM 171 C ASP A 125 -8.540 -3.387 -16.438 1.00 21.44 C ATOM 172 O ASP A 125 -9.228 -4.229 -17.015 1.00 31.42 O ATOM 173 CB ASP A 125 -9.481 -1.609 -17.925 1.00 11.24 C ATOM 174 CG ASP A 125 -9.987 -0.211 -17.629 1.00 3.55 C ATOM 175 OD1 ASP A 125 -9.210 0.751 -17.807 1.00 31.23 O ATOM 176 OD2 ASP A 125 -11.159 -0.078 -17.218 1.00 3.43 O ATOM 0 H ASP A 125 -6.350 -1.343 -17.425 1.00 12.42 H new ATOM 0 HA ASP A 125 -8.216 -1.286 -16.220 1.00 5.03 H new ATOM 0 HB2 ASP A 125 -9.179 -1.669 -18.971 1.00 11.24 H new ATOM 0 HB3 ASP A 125 -10.293 -2.323 -17.786 1.00 11.24 H new ATOM 181 N PRO A 126 -7.957 -3.630 -15.254 1.00 53.20 N ATOM 182 CA PRO A 126 -7.135 -2.635 -14.558 1.00 35.42 C ATOM 183 C PRO A 126 -5.811 -2.379 -15.268 1.00 3.41 C ATOM 184 O PRO A 126 -5.327 -3.221 -16.023 1.00 21.31 O ATOM 185 CB PRO A 126 -6.893 -3.273 -13.187 1.00 42.43 C ATOM 186 CG PRO A 126 -7.023 -4.738 -13.422 1.00 51.14 C ATOM 187 CD PRO A 126 -8.056 -4.893 -14.504 1.00 64.55 C ATOM 0 HA PRO A 126 -7.624 -1.662 -14.510 1.00 35.42 H new ATOM 0 HB2 PRO A 126 -5.905 -3.020 -12.802 1.00 42.43 H new ATOM 0 HB3 PRO A 126 -7.620 -2.924 -12.454 1.00 42.43 H new ATOM 0 HG2 PRO A 126 -6.070 -5.170 -13.727 1.00 51.14 H new ATOM 0 HG3 PRO A 126 -7.330 -5.254 -12.512 1.00 51.14 H new ATOM 0 HD2 PRO A 126 -7.847 -5.754 -15.138 1.00 64.55 H new ATOM 0 HD3 PRO A 126 -9.054 -5.037 -14.089 1.00 64.55 H new ATOM 195 N ALA A 127 -5.229 -1.210 -15.020 1.00 43.33 N ATOM 196 CA ALA A 127 -3.958 -0.844 -15.634 1.00 55.43 C ATOM 197 C ALA A 127 -2.788 -1.492 -14.903 1.00 31.11 C ATOM 198 O ALA A 127 -2.966 -2.110 -13.854 1.00 15.13 O ATOM 199 CB ALA A 127 -3.798 0.669 -15.654 1.00 13.44 C ATOM 0 H ALA A 127 -5.617 -0.500 -14.398 1.00 43.33 H new ATOM 0 HA ALA A 127 -3.959 -1.212 -16.660 1.00 55.43 H new ATOM 0 HB1 ALA A 127 -2.845 0.928 -16.115 1.00 13.44 H new ATOM 0 HB2 ALA A 127 -4.611 1.113 -16.228 1.00 13.44 H new ATOM 0 HB3 ALA A 127 -3.823 1.051 -14.633 1.00 13.44 H new ATOM 205 N GLN A 128 -1.592 -1.347 -15.464 1.00 71.43 N ATOM 206 CA GLN A 128 -0.393 -1.921 -14.865 1.00 20.00 C ATOM 207 C GLN A 128 0.349 -0.882 -14.030 1.00 72.24 C ATOM 208 O GLN A 128 -0.079 0.268 -13.929 1.00 35.42 O ATOM 209 CB GLN A 128 0.531 -2.474 -15.951 1.00 61.22 C ATOM 210 CG GLN A 128 0.943 -3.919 -15.722 1.00 20.34 C ATOM 211 CD GLN A 128 1.615 -4.534 -16.934 1.00 33.35 C ATOM 212 OE1 GLN A 128 2.489 -3.924 -17.550 1.00 12.03 O ATOM 213 NE2 GLN A 128 1.209 -5.750 -17.282 1.00 42.34 N ATOM 0 H GLN A 128 -1.427 -0.837 -16.332 1.00 71.43 H new ATOM 0 HA GLN A 128 -0.700 -2.736 -14.209 1.00 20.00 H new ATOM 0 HB2 GLN A 128 0.031 -2.396 -16.916 1.00 61.22 H new ATOM 0 HB3 GLN A 128 1.426 -1.854 -16.005 1.00 61.22 H new ATOM 0 HG2 GLN A 128 1.622 -3.969 -14.871 1.00 20.34 H new ATOM 0 HG3 GLN A 128 0.063 -4.507 -15.462 1.00 20.34 H new ATOM 0 HE21 GLN A 128 0.481 -6.219 -16.742 1.00 42.34 H new ATOM 0 HE22 GLN A 128 1.625 -6.215 -18.089 1.00 42.34 H new ATOM 222 N ASP A 129 1.462 -1.295 -13.435 1.00 2.33 N ATOM 223 CA ASP A 129 2.264 -0.399 -12.609 1.00 23.40 C ATOM 224 C ASP A 129 3.623 -0.139 -13.252 1.00 11.41 C ATOM 225 O ASP A 129 4.235 -1.042 -13.821 1.00 51.10 O ATOM 226 CB ASP A 129 2.453 -0.992 -11.212 1.00 12.35 C ATOM 227 CG ASP A 129 3.232 -2.292 -11.234 1.00 71.01 C ATOM 228 OD1 ASP A 129 2.627 -3.340 -11.543 1.00 24.14 O ATOM 229 OD2 ASP A 129 4.446 -2.262 -10.942 1.00 41.23 O ATOM 0 H ASP A 129 1.830 -2.244 -13.509 1.00 2.33 H new ATOM 0 HA ASP A 129 1.734 0.550 -12.524 1.00 23.40 H new ATOM 0 HB2 ASP A 129 2.974 -0.271 -10.582 1.00 12.35 H new ATOM 0 HB3 ASP A 129 1.477 -1.165 -10.759 1.00 12.35 H new ATOM 234 N ALA A 130 4.088 1.103 -13.158 1.00 30.23 N ATOM 235 CA ALA A 130 5.374 1.482 -13.729 1.00 41.21 C ATOM 236 C ALA A 130 6.528 0.930 -12.899 1.00 11.11 C ATOM 237 O ALA A 130 6.646 1.223 -11.709 1.00 35.31 O ATOM 238 CB ALA A 130 5.477 2.996 -13.838 1.00 41.24 C ATOM 0 H ALA A 130 3.593 1.863 -12.692 1.00 30.23 H new ATOM 0 HA ALA A 130 5.441 1.051 -14.728 1.00 41.21 H new ATOM 0 HB1 ALA A 130 6.443 3.265 -14.266 1.00 41.24 H new ATOM 0 HB2 ALA A 130 4.679 3.370 -14.479 1.00 41.24 H new ATOM 0 HB3 ALA A 130 5.383 3.439 -12.847 1.00 41.24 H new ATOM 244 N VAL A 131 7.378 0.129 -13.534 1.00 13.10 N ATOM 245 CA VAL A 131 8.523 -0.464 -12.854 1.00 10.12 C ATOM 246 C VAL A 131 9.831 0.146 -13.346 1.00 14.45 C ATOM 247 O VAL A 131 10.853 0.087 -12.661 1.00 54.14 O ATOM 248 CB VAL A 131 8.571 -1.989 -13.062 1.00 20.34 C ATOM 249 CG1 VAL A 131 7.481 -2.673 -12.250 1.00 63.54 C ATOM 250 CG2 VAL A 131 8.441 -2.330 -14.538 1.00 40.25 C ATOM 0 H VAL A 131 7.295 -0.124 -14.519 1.00 13.10 H new ATOM 0 HA VAL A 131 8.404 -0.253 -11.791 1.00 10.12 H new ATOM 0 HB VAL A 131 9.536 -2.356 -12.712 1.00 20.34 H new ATOM 0 HG11 VAL A 131 7.530 -3.750 -12.409 1.00 63.54 H new ATOM 0 HG12 VAL A 131 7.625 -2.456 -11.192 1.00 63.54 H new ATOM 0 HG13 VAL A 131 6.506 -2.304 -12.566 1.00 63.54 H new ATOM 0 HG21 VAL A 131 8.477 -3.412 -14.666 1.00 40.25 H new ATOM 0 HG22 VAL A 131 7.492 -1.951 -14.917 1.00 40.25 H new ATOM 0 HG23 VAL A 131 9.261 -1.872 -15.091 1.00 40.25 H new ATOM 260 N LYS A 132 9.792 0.734 -14.537 1.00 12.04 N ATOM 261 CA LYS A 132 10.973 1.358 -15.121 1.00 52.03 C ATOM 262 C LYS A 132 10.707 2.823 -15.453 1.00 35.04 C ATOM 263 O LYS A 132 9.561 3.276 -15.438 1.00 24.11 O ATOM 264 CB LYS A 132 11.399 0.608 -16.385 1.00 74.42 C ATOM 265 CG LYS A 132 12.426 -0.481 -16.129 1.00 71.40 C ATOM 266 CD LYS A 132 12.915 -1.103 -17.426 1.00 75.54 C ATOM 267 CE LYS A 132 14.125 -1.996 -17.196 1.00 13.53 C ATOM 268 NZ LYS A 132 15.306 -1.218 -16.730 1.00 44.15 N ATOM 0 H LYS A 132 8.955 0.791 -15.117 1.00 12.04 H new ATOM 0 HA LYS A 132 11.778 1.310 -14.388 1.00 52.03 H new ATOM 0 HB2 LYS A 132 10.518 0.163 -16.848 1.00 74.42 H new ATOM 0 HB3 LYS A 132 11.809 1.321 -17.100 1.00 74.42 H new ATOM 0 HG2 LYS A 132 13.272 -0.063 -15.583 1.00 71.40 H new ATOM 0 HG3 LYS A 132 11.989 -1.253 -15.496 1.00 71.40 H new ATOM 0 HD2 LYS A 132 12.112 -1.686 -17.876 1.00 75.54 H new ATOM 0 HD3 LYS A 132 13.172 -0.315 -18.134 1.00 75.54 H new ATOM 0 HE2 LYS A 132 13.878 -2.759 -16.458 1.00 13.53 H new ATOM 0 HE3 LYS A 132 14.374 -2.516 -18.121 1.00 13.53 H new ATOM 0 HZ1 LYS A 132 16.173 -1.765 -16.905 1.00 44.15 H new ATOM 0 HZ2 LYS A 132 15.355 -0.317 -17.248 1.00 44.15 H new ATOM 0 HZ3 LYS A 132 15.216 -1.028 -15.711 1.00 44.15 H new ATOM 282 N THR A 133 11.771 3.560 -15.753 1.00 3.31 N ATOM 283 CA THR A 133 11.652 4.974 -16.088 1.00 64.43 C ATOM 284 C THR A 133 12.812 5.430 -16.966 1.00 61.21 C ATOM 285 O THR A 133 13.965 5.170 -16.624 1.00 35.43 O ATOM 286 CB THR A 133 11.606 5.849 -14.822 1.00 44.50 C ATOM 287 OG1 THR A 133 10.599 5.364 -13.927 1.00 43.41 O ATOM 288 CG2 THR A 133 11.320 7.300 -15.178 1.00 14.42 C ATOM 0 H THR A 133 12.726 3.201 -15.771 1.00 3.31 H new ATOM 0 HA THR A 133 10.717 5.092 -16.636 1.00 64.43 H new ATOM 0 HB THR A 133 12.580 5.796 -14.335 1.00 44.50 H new ATOM 0 HG1 THR A 133 10.992 4.702 -13.320 1.00 43.41 H new ATOM 0 HG21 THR A 133 11.292 7.899 -14.268 1.00 14.42 H new ATOM 0 HG22 THR A 133 12.105 7.675 -15.835 1.00 14.42 H new ATOM 0 HG23 THR A 133 10.358 7.367 -15.686 1.00 14.42 H new ATOM 296 N CYS A 134 12.488 6.093 -18.066 1.00 53.31 N ATOM 297 CA CYS A 134 13.511 6.577 -18.977 1.00 52.14 C ATOM 298 C CYS A 134 13.813 8.036 -18.630 1.00 1.04 C ATOM 299 O CYS A 134 12.930 8.892 -18.580 1.00 13.13 O ATOM 300 CB CYS A 134 13.089 6.414 -20.439 1.00 42.42 C ATOM 301 SG CYS A 134 14.384 7.088 -21.543 1.00 1.42 S ATOM 0 H CYS A 134 11.531 6.307 -18.347 1.00 53.31 H new ATOM 0 HA CYS A 134 14.417 5.982 -18.860 1.00 52.14 H new ATOM 0 HB2 CYS A 134 12.921 5.360 -20.662 1.00 42.42 H new ATOM 0 HB3 CYS A 134 12.145 6.931 -20.614 1.00 42.42 H new ATOM 0 HG CYS A 134 15.557 6.805 -21.059 1.00 1.42 H new ATOM 306 N VAL A 135 15.093 8.302 -18.388 1.00 52.50 N ATOM 307 CA VAL A 135 15.542 9.646 -18.044 1.00 42.20 C ATOM 308 C VAL A 135 15.525 10.560 -19.264 1.00 3.41 C ATOM 309 O VAL A 135 15.202 11.744 -19.163 1.00 2.54 O ATOM 310 CB VAL A 135 16.963 9.628 -17.449 1.00 71.25 C ATOM 311 CG1 VAL A 135 16.979 8.876 -16.128 1.00 21.45 C ATOM 312 CG2 VAL A 135 17.944 9.012 -18.435 1.00 25.31 C ATOM 0 H VAL A 135 15.837 7.605 -18.424 1.00 52.50 H new ATOM 0 HA VAL A 135 14.848 10.030 -17.296 1.00 42.20 H new ATOM 0 HB VAL A 135 17.272 10.656 -17.258 1.00 71.25 H new ATOM 0 HG11 VAL A 135 17.991 8.874 -15.723 1.00 21.45 H new ATOM 0 HG12 VAL A 135 16.307 9.365 -15.423 1.00 21.45 H new ATOM 0 HG13 VAL A 135 16.651 7.849 -16.290 1.00 21.45 H new ATOM 0 HG21 VAL A 135 18.943 9.007 -17.999 1.00 25.31 H new ATOM 0 HG22 VAL A 135 17.641 7.989 -18.659 1.00 25.31 H new ATOM 0 HG23 VAL A 135 17.952 9.598 -19.354 1.00 25.31 H new ATOM 322 N THR A 136 15.875 10.003 -20.419 1.00 44.32 N ATOM 323 CA THR A 136 15.901 10.768 -21.660 1.00 24.14 C ATOM 324 C THR A 136 14.492 11.145 -22.103 1.00 24.13 C ATOM 325 O THR A 136 14.338 12.086 -22.879 1.00 55.23 O ATOM 326 CB THR A 136 16.590 9.981 -22.791 1.00 34.44 C ATOM 327 OG1 THR A 136 17.867 9.506 -22.350 1.00 51.23 O ATOM 328 CG2 THR A 136 16.764 10.850 -24.027 1.00 3.04 C ATOM 0 H THR A 136 16.145 9.025 -20.521 1.00 44.32 H new ATOM 0 HA THR A 136 16.471 11.675 -21.460 1.00 24.14 H new ATOM 0 HB THR A 136 15.958 9.132 -23.051 1.00 34.44 H new ATOM 0 HG1 THR A 136 18.012 8.597 -22.686 1.00 51.23 H new ATOM 0 HG21 THR A 136 17.253 10.273 -24.812 1.00 3.04 H new ATOM 0 HG22 THR A 136 15.787 11.184 -24.377 1.00 3.04 H new ATOM 0 HG23 THR A 136 17.377 11.717 -23.779 1.00 3.04 H new ATOM 336 N CYS A 137 13.507 10.412 -21.606 1.00 12.02 N ATOM 337 CA CYS A 137 12.123 10.681 -21.958 1.00 40.12 C ATOM 338 C CYS A 137 11.508 11.552 -20.861 1.00 5.13 C ATOM 339 O CYS A 137 10.556 12.300 -21.079 1.00 45.44 O ATOM 340 CB CYS A 137 11.332 9.389 -22.171 1.00 70.22 C ATOM 341 SG CYS A 137 11.740 8.667 -23.802 1.00 64.33 S ATOM 0 H CYS A 137 13.640 9.632 -20.962 1.00 12.02 H new ATOM 0 HA CYS A 137 12.084 11.214 -22.908 1.00 40.12 H new ATOM 0 HB2 CYS A 137 11.565 8.676 -21.380 1.00 70.22 H new ATOM 0 HB3 CYS A 137 10.263 9.593 -22.112 1.00 70.22 H new ATOM 0 HG CYS A 137 12.968 8.239 -23.792 1.00 64.33 H new ATOM 346 N GLU A 138 12.080 11.436 -19.666 1.00 14.42 N ATOM 347 CA GLU A 138 11.607 12.200 -18.517 1.00 44.30 C ATOM 348 C GLU A 138 10.203 11.762 -18.112 1.00 71.22 C ATOM 349 O GLU A 138 9.384 12.577 -17.688 1.00 0.14 O ATOM 350 CB GLU A 138 11.615 13.697 -18.834 1.00 13.21 C ATOM 351 CG GLU A 138 11.771 14.579 -17.606 1.00 74.41 C ATOM 352 CD GLU A 138 11.635 16.055 -17.926 1.00 60.54 C ATOM 353 OE1 GLU A 138 10.588 16.448 -18.481 1.00 13.25 O ATOM 354 OE2 GLU A 138 12.577 16.816 -17.622 1.00 62.12 O ATOM 0 H GLU A 138 12.870 10.822 -19.469 1.00 14.42 H new ATOM 0 HA GLU A 138 12.282 12.009 -17.683 1.00 44.30 H new ATOM 0 HB2 GLU A 138 12.428 13.908 -19.528 1.00 13.21 H new ATOM 0 HB3 GLU A 138 10.686 13.957 -19.342 1.00 13.21 H new ATOM 0 HG2 GLU A 138 11.020 14.301 -16.866 1.00 74.41 H new ATOM 0 HG3 GLU A 138 12.746 14.397 -17.155 1.00 74.41 H new ATOM 361 N VAL A 139 9.931 10.468 -18.248 1.00 23.44 N ATOM 362 CA VAL A 139 8.627 9.919 -17.896 1.00 12.40 C ATOM 363 C VAL A 139 8.761 8.524 -17.297 1.00 34.11 C ATOM 364 O VAL A 139 9.731 7.814 -17.561 1.00 72.05 O ATOM 365 CB VAL A 139 7.697 9.853 -19.122 1.00 70.21 C ATOM 366 CG1 VAL A 139 6.268 9.558 -18.693 1.00 53.11 C ATOM 367 CG2 VAL A 139 7.768 11.149 -19.915 1.00 11.10 C ATOM 0 H VAL A 139 10.597 9.780 -18.600 1.00 23.44 H new ATOM 0 HA VAL A 139 8.191 10.588 -17.154 1.00 12.40 H new ATOM 0 HB VAL A 139 8.032 9.041 -19.767 1.00 70.21 H new ATOM 0 HG11 VAL A 139 5.626 9.515 -19.573 1.00 53.11 H new ATOM 0 HG12 VAL A 139 6.235 8.601 -18.172 1.00 53.11 H new ATOM 0 HG13 VAL A 139 5.918 10.346 -18.026 1.00 53.11 H new ATOM 0 HG21 VAL A 139 7.105 11.085 -20.778 1.00 11.10 H new ATOM 0 HG22 VAL A 139 7.460 11.981 -19.281 1.00 11.10 H new ATOM 0 HG23 VAL A 139 8.791 11.312 -20.255 1.00 11.10 H new ATOM 377 N SER A 140 7.779 8.136 -16.488 1.00 43.35 N ATOM 378 CA SER A 140 7.789 6.826 -15.848 1.00 54.15 C ATOM 379 C SER A 140 6.686 5.937 -16.415 1.00 32.00 C ATOM 380 O SER A 140 5.507 6.289 -16.375 1.00 13.25 O ATOM 381 CB SER A 140 7.614 6.973 -14.336 1.00 23.24 C ATOM 382 OG SER A 140 7.993 5.785 -13.661 1.00 53.42 O ATOM 0 H SER A 140 6.967 8.710 -16.261 1.00 43.35 H new ATOM 0 HA SER A 140 8.751 6.356 -16.051 1.00 54.15 H new ATOM 0 HB2 SER A 140 8.216 7.807 -13.976 1.00 23.24 H new ATOM 0 HB3 SER A 140 6.574 7.209 -14.108 1.00 23.24 H new ATOM 0 HG SER A 140 8.965 5.778 -13.532 1.00 53.42 H new ATOM 388 N TYR A 141 7.078 4.783 -16.943 1.00 21.12 N ATOM 389 CA TYR A 141 6.124 3.843 -17.520 1.00 44.23 C ATOM 390 C TYR A 141 6.424 2.417 -17.070 1.00 65.32 C ATOM 391 O TYR A 141 7.369 2.210 -16.310 1.00 64.13 O ATOM 392 CB TYR A 141 6.156 3.925 -19.047 1.00 45.44 C ATOM 393 CG TYR A 141 5.617 5.227 -19.595 1.00 44.52 C ATOM 394 CD1 TYR A 141 4.486 5.819 -19.046 1.00 43.34 C ATOM 395 CD2 TYR A 141 6.238 5.865 -20.662 1.00 3.52 C ATOM 396 CE1 TYR A 141 3.990 7.009 -19.544 1.00 33.41 C ATOM 397 CE2 TYR A 141 5.750 7.056 -21.165 1.00 34.42 C ATOM 398 CZ TYR A 141 4.625 7.623 -20.603 1.00 1.13 C ATOM 399 OH TYR A 141 4.134 8.808 -21.102 1.00 23.22 O ATOM 0 H TYR A 141 8.050 4.476 -16.983 1.00 21.12 H new ATOM 0 HA TYR A 141 5.128 4.113 -17.169 1.00 44.23 H new ATOM 0 HB2 TYR A 141 7.183 3.794 -19.388 1.00 45.44 H new ATOM 0 HB3 TYR A 141 5.576 3.099 -19.459 1.00 45.44 H new ATOM 0 HD1 TYR A 141 3.986 5.341 -18.216 1.00 43.34 H new ATOM 0 HD2 TYR A 141 7.117 5.422 -21.106 1.00 3.52 H new ATOM 0 HE1 TYR A 141 3.110 7.456 -19.106 1.00 33.41 H new ATOM 0 HE2 TYR A 141 6.246 7.540 -21.993 1.00 34.42 H new ATOM 0 HH TYR A 141 3.176 8.713 -21.286 1.00 23.22 H new ATOM 409 N CYS A 142 5.623 1.475 -17.544 1.00 74.53 N ATOM 410 CA CYS A 142 5.813 0.080 -17.185 1.00 35.42 C ATOM 411 C CYS A 142 6.567 -0.611 -18.322 1.00 61.34 C ATOM 412 O CYS A 142 6.766 -0.058 -19.404 1.00 71.01 O ATOM 413 CB CYS A 142 4.482 -0.612 -16.880 1.00 23.15 C ATOM 414 SG CYS A 142 3.590 -0.968 -18.437 1.00 40.11 S ATOM 0 H CYS A 142 4.840 1.650 -18.174 1.00 74.53 H new ATOM 0 HA CYS A 142 6.400 0.015 -16.269 1.00 35.42 H new ATOM 0 HB2 CYS A 142 4.661 -1.538 -16.334 1.00 23.15 H new ATOM 0 HB3 CYS A 142 3.871 0.023 -16.238 1.00 23.15 H new ATOM 0 HG CYS A 142 2.336 -0.655 -18.300 1.00 40.11 H new ATOM 419 N ASP A 143 6.986 -1.843 -18.052 1.00 11.41 N ATOM 420 CA ASP A 143 7.719 -2.634 -19.033 1.00 42.33 C ATOM 421 C ASP A 143 6.891 -2.832 -20.299 1.00 64.22 C ATOM 422 O ASP A 143 7.412 -2.750 -21.411 1.00 71.21 O ATOM 423 CB ASP A 143 8.103 -3.991 -18.442 1.00 0.11 C ATOM 424 CG ASP A 143 8.929 -4.827 -19.400 1.00 33.23 C ATOM 425 OD1 ASP A 143 9.394 -4.276 -20.419 1.00 10.44 O ATOM 426 OD2 ASP A 143 9.109 -6.034 -19.131 1.00 12.42 O ATOM 0 H ASP A 143 6.830 -2.315 -17.161 1.00 11.41 H new ATOM 0 HA ASP A 143 8.627 -2.091 -19.295 1.00 42.33 H new ATOM 0 HB2 ASP A 143 8.665 -3.837 -17.521 1.00 0.11 H new ATOM 0 HB3 ASP A 143 7.198 -4.537 -18.175 1.00 0.11 H new ATOM 431 N GLU A 144 5.600 -3.095 -20.121 1.00 4.30 N ATOM 432 CA GLU A 144 4.702 -3.307 -21.250 1.00 11.14 C ATOM 433 C GLU A 144 4.814 -2.166 -22.257 1.00 4.03 C ATOM 434 O GLU A 144 5.267 -2.394 -23.377 1.00 43.35 O ATOM 435 CB GLU A 144 3.257 -3.432 -20.763 1.00 55.50 C ATOM 436 CG GLU A 144 2.549 -4.677 -21.270 1.00 31.03 C ATOM 437 CD GLU A 144 1.357 -4.354 -22.150 1.00 10.45 C ATOM 438 OE1 GLU A 144 0.362 -3.812 -21.625 1.00 55.03 O ATOM 439 OE2 GLU A 144 1.420 -4.642 -23.363 1.00 24.40 O ATOM 0 H GLU A 144 5.153 -3.166 -19.207 1.00 4.30 H new ATOM 0 HA GLU A 144 4.993 -4.234 -21.744 1.00 11.14 H new ATOM 0 HB2 GLU A 144 3.249 -3.438 -19.673 1.00 55.50 H new ATOM 0 HB3 GLU A 144 2.698 -2.552 -21.081 1.00 55.50 H new ATOM 0 HG2 GLU A 144 3.255 -5.288 -21.832 1.00 31.03 H new ATOM 0 HG3 GLU A 144 2.217 -5.273 -20.420 1.00 31.03 H new ATOM 446 N CYS A 145 4.404 -0.977 -21.841 1.00 0.05 N ATOM 447 CA CYS A 145 4.463 0.183 -22.713 1.00 44.05 C ATOM 448 C CYS A 145 5.917 0.385 -23.146 1.00 1.14 C ATOM 449 O CYS A 145 6.221 0.664 -24.306 1.00 60.13 O ATOM 450 CB CYS A 145 3.890 1.430 -22.037 1.00 5.10 C ATOM 451 SG CYS A 145 2.212 1.080 -21.397 1.00 23.31 S ATOM 0 H CYS A 145 4.029 -0.792 -20.911 1.00 0.05 H new ATOM 0 HA CYS A 145 3.843 0.011 -23.593 1.00 44.05 H new ATOM 0 HB2 CYS A 145 4.541 1.743 -21.221 1.00 5.10 H new ATOM 0 HB3 CYS A 145 3.852 2.255 -22.749 1.00 5.10 H new ATOM 0 HG CYS A 145 1.501 2.168 -21.425 1.00 23.31 H new ATOM 456 N LEU A 146 6.816 0.237 -22.179 1.00 10.33 N ATOM 457 CA LEU A 146 8.244 0.397 -22.431 1.00 11.54 C ATOM 458 C LEU A 146 8.686 -0.451 -23.618 1.00 70.43 C ATOM 459 O LEU A 146 9.662 -0.130 -24.296 1.00 63.00 O ATOM 460 CB LEU A 146 9.047 0.013 -21.187 1.00 64.20 C ATOM 461 CG LEU A 146 10.567 0.143 -21.303 1.00 14.44 C ATOM 462 CD1 LEU A 146 10.973 1.607 -21.371 1.00 12.30 C ATOM 463 CD2 LEU A 146 11.252 -0.548 -20.133 1.00 32.01 C ATOM 0 H LEU A 146 6.581 0.007 -21.213 1.00 10.33 H new ATOM 0 HA LEU A 146 8.431 1.444 -22.668 1.00 11.54 H new ATOM 0 HB2 LEU A 146 8.712 0.634 -20.356 1.00 64.20 H new ATOM 0 HB3 LEU A 146 8.809 -1.019 -20.930 1.00 64.20 H new ATOM 0 HG LEU A 146 10.885 -0.345 -22.224 1.00 14.44 H new ATOM 0 HD11 LEU A 146 12.057 1.680 -21.453 1.00 12.30 H new ATOM 0 HD12 LEU A 146 10.511 2.073 -22.241 1.00 12.30 H new ATOM 0 HD13 LEU A 146 10.642 2.119 -20.467 1.00 12.30 H new ATOM 0 HD21 LEU A 146 12.333 -0.446 -20.232 1.00 32.01 H new ATOM 0 HD22 LEU A 146 10.928 -0.089 -19.199 1.00 32.01 H new ATOM 0 HD23 LEU A 146 10.987 -1.605 -20.129 1.00 32.01 H new ATOM 475 N LYS A 147 7.960 -1.536 -23.867 1.00 13.14 N ATOM 476 CA LYS A 147 8.274 -2.430 -24.975 1.00 35.34 C ATOM 477 C LYS A 147 7.803 -1.840 -26.300 1.00 73.41 C ATOM 478 O LYS A 147 8.519 -1.887 -27.300 1.00 14.41 O ATOM 479 CB LYS A 147 7.623 -3.798 -24.753 1.00 42.21 C ATOM 480 CG LYS A 147 8.274 -4.917 -25.548 1.00 12.40 C ATOM 481 CD LYS A 147 7.353 -6.119 -25.674 1.00 64.12 C ATOM 482 CE LYS A 147 8.038 -7.272 -26.392 1.00 22.23 C ATOM 483 NZ LYS A 147 8.599 -8.266 -25.435 1.00 43.10 N ATOM 0 H LYS A 147 7.149 -1.817 -23.316 1.00 13.14 H new ATOM 0 HA LYS A 147 9.356 -2.552 -25.016 1.00 35.34 H new ATOM 0 HB2 LYS A 147 7.667 -4.044 -23.692 1.00 42.21 H new ATOM 0 HB3 LYS A 147 6.569 -3.738 -25.023 1.00 42.21 H new ATOM 0 HG2 LYS A 147 8.538 -4.553 -26.541 1.00 12.40 H new ATOM 0 HG3 LYS A 147 9.202 -5.218 -25.062 1.00 12.40 H new ATOM 0 HD2 LYS A 147 7.037 -6.443 -24.682 1.00 64.12 H new ATOM 0 HD3 LYS A 147 6.453 -5.834 -26.218 1.00 64.12 H new ATOM 0 HE2 LYS A 147 7.324 -7.765 -27.051 1.00 22.23 H new ATOM 0 HE3 LYS A 147 8.838 -6.883 -27.023 1.00 22.23 H new ATOM 0 HZ1 LYS A 147 9.057 -9.036 -25.963 1.00 43.10 H new ATOM 0 HZ2 LYS A 147 9.299 -7.801 -24.823 1.00 43.10 H new ATOM 0 HZ3 LYS A 147 7.832 -8.656 -24.850 1.00 43.10 H new ATOM 497 N ALA A 148 6.595 -1.285 -26.300 1.00 22.22 N ATOM 498 CA ALA A 148 6.031 -0.683 -27.501 1.00 70.24 C ATOM 499 C ALA A 148 6.757 0.609 -27.861 1.00 61.41 C ATOM 500 O ALA A 148 6.966 0.909 -29.037 1.00 2.51 O ATOM 501 CB ALA A 148 4.544 -0.420 -27.312 1.00 24.22 C ATOM 0 H ALA A 148 5.989 -1.240 -25.481 1.00 22.22 H new ATOM 0 HA ALA A 148 6.163 -1.385 -28.325 1.00 70.24 H new ATOM 0 HB1 ALA A 148 4.136 0.030 -28.217 1.00 24.22 H new ATOM 0 HB2 ALA A 148 4.031 -1.360 -27.111 1.00 24.22 H new ATOM 0 HB3 ALA A 148 4.399 0.259 -26.472 1.00 24.22 H new ATOM 507 N THR A 149 7.139 1.371 -26.841 1.00 65.12 N ATOM 508 CA THR A 149 7.840 2.632 -27.050 1.00 25.51 C ATOM 509 C THR A 149 9.321 2.398 -27.328 1.00 20.14 C ATOM 510 O THR A 149 9.875 2.934 -28.288 1.00 70.21 O ATOM 511 CB THR A 149 7.699 3.562 -25.830 1.00 61.42 C ATOM 512 OG1 THR A 149 7.942 2.829 -24.624 1.00 62.54 O ATOM 513 CG2 THR A 149 6.311 4.183 -25.781 1.00 62.51 C ATOM 0 H THR A 149 6.975 1.137 -25.862 1.00 65.12 H new ATOM 0 HA THR A 149 7.381 3.109 -27.916 1.00 25.51 H new ATOM 0 HB THR A 149 8.435 4.361 -25.923 1.00 61.42 H new ATOM 0 HG1 THR A 149 7.225 2.174 -24.489 1.00 62.54 H new ATOM 0 HG21 THR A 149 6.235 4.836 -24.911 1.00 62.51 H new ATOM 0 HG22 THR A 149 6.140 4.764 -26.687 1.00 62.51 H new ATOM 0 HG23 THR A 149 5.562 3.394 -25.709 1.00 62.51 H new ATOM 521 N HIS A 150 9.957 1.594 -26.482 1.00 5.04 N ATOM 522 CA HIS A 150 11.375 1.288 -26.637 1.00 42.34 C ATOM 523 C HIS A 150 11.573 -0.156 -27.088 1.00 2.12 C ATOM 524 O HIS A 150 11.748 -1.066 -26.277 1.00 62.04 O ATOM 525 CB HIS A 150 12.118 1.531 -25.324 1.00 3.55 C ATOM 526 CG HIS A 150 12.067 2.955 -24.861 1.00 12.02 C ATOM 527 ND1 HIS A 150 11.398 3.946 -25.548 1.00 60.00 N ATOM 528 CD2 HIS A 150 12.604 3.552 -23.771 1.00 64.24 C ATOM 529 CE1 HIS A 150 11.528 5.091 -24.902 1.00 41.13 C ATOM 530 NE2 HIS A 150 12.255 4.879 -23.820 1.00 44.13 N ATOM 0 H HIS A 150 9.513 1.143 -25.682 1.00 5.04 H new ATOM 0 HA HIS A 150 11.782 1.948 -27.403 1.00 42.34 H new ATOM 0 HB2 HIS A 150 11.692 0.891 -24.551 1.00 3.55 H new ATOM 0 HB3 HIS A 150 13.160 1.234 -25.445 1.00 3.55 H new ATOM 0 HD2 HIS A 150 13.197 3.073 -23.005 1.00 64.24 H new ATOM 0 HE1 HIS A 150 11.111 6.039 -25.207 1.00 41.13 H new ATOM 0 HE2 HIS A 150 12.515 5.586 -23.132 1.00 44.13 H new ATOM 664 N HIS A 159 17.979 3.399 -24.819 1.00 61.32 N ATOM 665 CA HIS A 159 17.504 4.589 -24.123 1.00 20.14 C ATOM 666 C HIS A 159 17.957 4.583 -22.666 1.00 24.02 C ATOM 667 O HIS A 159 17.804 3.585 -21.962 1.00 71.40 O ATOM 668 CB HIS A 159 15.979 4.673 -24.194 1.00 21.20 C ATOM 669 CG HIS A 159 15.477 5.496 -25.340 1.00 65.35 C ATOM 670 ND1 HIS A 159 14.346 6.280 -25.266 1.00 32.03 N ATOM 671 CD2 HIS A 159 15.962 5.655 -26.594 1.00 75.15 C ATOM 672 CE1 HIS A 159 14.154 6.885 -26.425 1.00 24.45 C ATOM 673 NE2 HIS A 159 15.121 6.522 -27.248 1.00 44.51 N ATOM 0 HA HIS A 159 17.932 5.462 -24.615 1.00 20.14 H new ATOM 0 HB2 HIS A 159 15.571 3.665 -24.275 1.00 21.20 H new ATOM 0 HB3 HIS A 159 15.603 5.095 -23.262 1.00 21.20 H new ATOM 0 HD1 HIS A 159 13.750 6.378 -24.444 1.00 32.03 H new ATOM 0 HD2 HIS A 159 16.845 5.187 -27.004 1.00 75.15 H new ATOM 0 HE1 HIS A 159 13.345 7.561 -26.659 1.00 24.45 H new ATOM 680 N ARG A 160 18.517 5.703 -22.221 1.00 14.44 N ATOM 681 CA ARG A 160 18.994 5.826 -20.848 1.00 50.15 C ATOM 682 C ARG A 160 17.885 5.492 -19.855 1.00 60.21 C ATOM 683 O ARG A 160 16.792 6.057 -19.914 1.00 43.25 O ATOM 684 CB ARG A 160 19.514 7.242 -20.592 1.00 32.25 C ATOM 685 CG ARG A 160 20.713 7.615 -21.448 1.00 13.20 C ATOM 686 CD ARG A 160 21.071 9.085 -21.294 1.00 70.02 C ATOM 687 NE ARG A 160 22.516 9.296 -21.265 1.00 52.03 N ATOM 688 CZ ARG A 160 23.262 9.121 -20.181 1.00 5.44 C ATOM 689 NH1 ARG A 160 22.704 8.734 -19.042 1.00 54.43 N ATOM 690 NH2 ARG A 160 24.571 9.333 -20.233 1.00 43.45 N ATOM 0 H ARG A 160 18.652 6.538 -22.791 1.00 14.44 H new ATOM 0 HA ARG A 160 19.809 5.116 -20.708 1.00 50.15 H new ATOM 0 HB2 ARG A 160 18.710 7.954 -20.778 1.00 32.25 H new ATOM 0 HB3 ARG A 160 19.786 7.335 -19.541 1.00 32.25 H new ATOM 0 HG2 ARG A 160 21.568 7.000 -21.167 1.00 13.20 H new ATOM 0 HG3 ARG A 160 20.496 7.400 -22.494 1.00 13.20 H new ATOM 0 HD2 ARG A 160 20.638 9.652 -22.118 1.00 70.02 H new ATOM 0 HD3 ARG A 160 20.630 9.471 -20.375 1.00 70.02 H new ATOM 0 HE ARG A 160 22.977 9.594 -22.125 1.00 52.03 H new ATOM 0 HH11 ARG A 160 21.698 8.570 -18.997 1.00 54.43 H new ATOM 0 HH12 ARG A 160 23.280 8.601 -18.211 1.00 54.43 H new ATOM 0 HH21 ARG A 160 25.005 9.631 -21.107 1.00 43.45 H new ATOM 0 HH22 ARG A 160 25.143 9.198 -19.399 1.00 43.45 H new ATOM 704 N LEU A 161 18.173 4.570 -18.943 1.00 61.33 N ATOM 705 CA LEU A 161 17.200 4.159 -17.937 1.00 4.14 C ATOM 706 C LEU A 161 17.881 3.896 -16.597 1.00 50.21 C ATOM 707 O LEU A 161 18.774 3.054 -16.498 1.00 43.45 O ATOM 708 CB LEU A 161 16.457 2.905 -18.399 1.00 22.51 C ATOM 709 CG LEU A 161 15.649 3.041 -19.690 1.00 21.52 C ATOM 710 CD1 LEU A 161 15.896 1.849 -20.602 1.00 42.34 C ATOM 711 CD2 LEU A 161 14.166 3.178 -19.379 1.00 32.44 C ATOM 0 H LEU A 161 19.072 4.093 -18.879 1.00 61.33 H new ATOM 0 HA LEU A 161 16.484 4.970 -17.807 1.00 4.14 H new ATOM 0 HB2 LEU A 161 17.184 2.104 -18.532 1.00 22.51 H new ATOM 0 HB3 LEU A 161 15.782 2.593 -17.602 1.00 22.51 H new ATOM 0 HG LEU A 161 15.976 3.943 -20.208 1.00 21.52 H new ATOM 0 HD11 LEU A 161 15.313 1.963 -21.516 1.00 42.34 H new ATOM 0 HD12 LEU A 161 16.956 1.796 -20.852 1.00 42.34 H new ATOM 0 HD13 LEU A 161 15.597 0.933 -20.093 1.00 42.34 H new ATOM 0 HD21 LEU A 161 13.606 3.274 -20.309 1.00 32.44 H new ATOM 0 HD22 LEU A 161 13.824 2.295 -18.839 1.00 32.44 H new ATOM 0 HD23 LEU A 161 14.003 4.064 -18.765 1.00 32.44 H new ATOM 723 N ILE A 162 17.451 4.620 -15.569 1.00 24.10 N ATOM 724 CA ILE A 162 18.017 4.462 -14.235 1.00 1.20 C ATOM 725 C ILE A 162 18.016 2.999 -13.807 1.00 30.41 C ATOM 726 O ILE A 162 16.974 2.344 -13.804 1.00 21.11 O ATOM 727 CB ILE A 162 17.242 5.291 -13.193 1.00 63.32 C ATOM 728 CG1 ILE A 162 17.252 6.772 -13.578 1.00 31.42 C ATOM 729 CG2 ILE A 162 17.841 5.094 -11.808 1.00 74.54 C ATOM 730 CD1 ILE A 162 15.893 7.429 -13.484 1.00 52.00 C ATOM 0 H ILE A 162 16.713 5.321 -15.634 1.00 24.10 H new ATOM 0 HA ILE A 162 19.044 4.823 -14.283 1.00 1.20 H new ATOM 0 HB ILE A 162 16.208 4.947 -13.173 1.00 63.32 H new ATOM 0 HG12 ILE A 162 17.949 7.303 -12.930 1.00 31.42 H new ATOM 0 HG13 ILE A 162 17.625 6.872 -14.597 1.00 31.42 H new ATOM 0 HG21 ILE A 162 17.283 5.686 -11.083 1.00 74.54 H new ATOM 0 HG22 ILE A 162 17.787 4.040 -11.535 1.00 74.54 H new ATOM 0 HG23 ILE A 162 18.883 5.415 -11.813 1.00 74.54 H new ATOM 0 HD11 ILE A 162 15.975 8.477 -13.771 1.00 52.00 H new ATOM 0 HD12 ILE A 162 15.197 6.923 -14.153 1.00 52.00 H new ATOM 0 HD13 ILE A 162 15.526 7.361 -12.460 1.00 52.00 H new ATOM 894 N LEU A 173 22.085 -4.236 -8.181 1.00 71.33 N ATOM 895 CA LEU A 173 22.258 -3.393 -9.359 1.00 40.01 C ATOM 896 C LEU A 173 22.986 -2.101 -9.002 1.00 22.24 C ATOM 897 O LEU A 173 22.907 -1.626 -7.869 1.00 44.12 O ATOM 898 CB LEU A 173 20.899 -3.070 -9.984 1.00 5.04 C ATOM 899 CG LEU A 173 20.053 -4.271 -10.406 1.00 55.12 C ATOM 900 CD1 LEU A 173 18.577 -3.995 -10.163 1.00 32.30 C ATOM 901 CD2 LEU A 173 20.300 -4.610 -11.869 1.00 53.50 C ATOM 0 HA LEU A 173 22.862 -3.941 -10.082 1.00 40.01 H new ATOM 0 HB2 LEU A 173 20.325 -2.479 -9.271 1.00 5.04 H new ATOM 0 HB3 LEU A 173 21.064 -2.442 -10.859 1.00 5.04 H new ATOM 0 HG LEU A 173 20.346 -5.129 -9.801 1.00 55.12 H new ATOM 0 HD11 LEU A 173 17.990 -4.861 -10.469 1.00 32.30 H new ATOM 0 HD12 LEU A 173 18.413 -3.802 -9.103 1.00 32.30 H new ATOM 0 HD13 LEU A 173 18.269 -3.125 -10.743 1.00 32.30 H new ATOM 0 HD21 LEU A 173 19.689 -5.467 -12.152 1.00 53.50 H new ATOM 0 HD22 LEU A 173 20.035 -3.755 -12.490 1.00 53.50 H new ATOM 0 HD23 LEU A 173 21.353 -4.851 -12.014 1.00 53.50 H new ATOM 913 N MET A 174 23.693 -1.537 -9.976 1.00 32.33 N ATOM 914 CA MET A 174 24.432 -0.298 -9.764 1.00 61.22 C ATOM 915 C MET A 174 23.760 0.866 -10.486 1.00 64.40 C ATOM 916 O MET A 174 22.846 0.636 -11.276 1.00 50.11 O ATOM 917 CB MET A 174 25.875 -0.451 -10.250 1.00 53.31 C ATOM 918 CG MET A 174 26.912 -0.147 -9.181 1.00 35.23 C ATOM 919 SD MET A 174 28.530 -0.844 -9.565 1.00 13.34 S ATOM 920 CE MET A 174 28.167 -2.597 -9.503 1.00 40.44 C ATOM 0 H MET A 174 23.770 -1.918 -10.919 1.00 32.33 H new ATOM 0 HA MET A 174 24.437 -0.085 -8.695 1.00 61.22 H new ATOM 0 HB2 MET A 174 26.023 -1.470 -10.609 1.00 53.31 H new ATOM 0 HB3 MET A 174 26.036 0.213 -11.100 1.00 53.31 H new ATOM 0 HG2 MET A 174 27.004 0.933 -9.066 1.00 35.23 H new ATOM 0 HG3 MET A 174 26.569 -0.541 -8.225 1.00 35.23 H new ATOM 0 HE1 MET A 174 29.067 -3.145 -9.223 1.00 40.44 H new ATOM 0 HE2 MET A 174 27.386 -2.781 -8.765 1.00 40.44 H new ATOM 0 HE3 MET A 174 27.827 -2.933 -10.483 1.00 40.44 H new ATOM 930 N CYS A 175 24.222 2.075 -10.203 1.00 72.10 N ATOM 931 CA CYS A 175 23.657 3.257 -10.831 1.00 1.30 C ATOM 932 C CYS A 175 24.233 3.372 -12.244 1.00 35.00 C ATOM 933 O CYS A 175 25.042 2.557 -12.688 1.00 71.51 O ATOM 934 CB CYS A 175 23.920 4.517 -10.004 1.00 12.33 C ATOM 935 SG CYS A 175 22.384 5.502 -9.859 1.00 3.31 S ATOM 0 H CYS A 175 24.981 2.261 -9.547 1.00 72.10 H new ATOM 0 HA CYS A 175 22.573 3.159 -10.888 1.00 1.30 H new ATOM 0 HB2 CYS A 175 24.281 4.243 -9.013 1.00 12.33 H new ATOM 0 HB3 CYS A 175 24.702 5.114 -10.474 1.00 12.33 H new ATOM 0 HG CYS A 175 22.422 6.207 -8.767 1.00 3.31 H new ATOM 940 N LEU A 176 23.794 4.411 -12.946 1.00 71.22 N ATOM 941 CA LEU A 176 24.248 4.659 -14.310 1.00 40.01 C ATOM 942 C LEU A 176 25.762 4.841 -14.355 1.00 52.33 C ATOM 943 O LEU A 176 26.469 4.072 -15.005 1.00 5.33 O ATOM 944 CB LEU A 176 23.556 5.898 -14.881 1.00 44.14 C ATOM 945 CG LEU A 176 22.454 5.638 -15.908 1.00 73.33 C ATOM 946 CD1 LEU A 176 21.463 6.791 -15.932 1.00 1.41 C ATOM 947 CD2 LEU A 176 23.053 5.418 -17.290 1.00 13.31 C ATOM 0 H LEU A 176 23.124 5.095 -12.593 1.00 71.22 H new ATOM 0 HA LEU A 176 23.987 3.792 -14.917 1.00 40.01 H new ATOM 0 HB2 LEU A 176 23.128 6.464 -14.054 1.00 44.14 H new ATOM 0 HB3 LEU A 176 24.313 6.532 -15.343 1.00 44.14 H new ATOM 0 HG LEU A 176 21.920 4.733 -15.617 1.00 73.33 H new ATOM 0 HD11 LEU A 176 20.686 6.588 -16.669 1.00 1.41 H new ATOM 0 HD12 LEU A 176 21.009 6.901 -14.947 1.00 1.41 H new ATOM 0 HD13 LEU A 176 21.983 7.712 -16.197 1.00 1.41 H new ATOM 0 HD21 LEU A 176 22.254 5.234 -18.008 1.00 13.31 H new ATOM 0 HD22 LEU A 176 23.613 6.304 -17.589 1.00 13.31 H new ATOM 0 HD23 LEU A 176 23.722 4.558 -17.264 1.00 13.31 H new ATOM 959 N GLU A 177 26.251 5.863 -13.659 1.00 73.02 N ATOM 960 CA GLU A 177 27.681 6.144 -13.620 1.00 11.55 C ATOM 961 C GLU A 177 28.149 6.380 -12.187 1.00 5.35 C ATOM 962 O GLU A 177 28.821 7.371 -11.896 1.00 63.41 O ATOM 963 CB GLU A 177 28.007 7.366 -14.482 1.00 20.32 C ATOM 964 CG GLU A 177 29.430 7.371 -15.016 1.00 15.41 C ATOM 965 CD GLU A 177 29.803 8.689 -15.667 1.00 71.13 C ATOM 966 OE1 GLU A 177 29.144 9.069 -16.657 1.00 43.45 O ATOM 967 OE2 GLU A 177 30.754 9.339 -15.186 1.00 1.42 O ATOM 0 H GLU A 177 25.679 6.509 -13.115 1.00 73.02 H new ATOM 0 HA GLU A 177 28.207 5.277 -14.018 1.00 11.55 H new ATOM 0 HB2 GLU A 177 27.313 7.404 -15.321 1.00 20.32 H new ATOM 0 HB3 GLU A 177 27.845 8.269 -13.893 1.00 20.32 H new ATOM 0 HG2 GLU A 177 30.122 7.165 -14.199 1.00 15.41 H new ATOM 0 HG3 GLU A 177 29.545 6.566 -15.742 1.00 15.41 H new ATOM 974 N HIS A 178 27.789 5.463 -11.294 1.00 4.30 N ATOM 975 CA HIS A 178 28.172 5.571 -9.891 1.00 25.53 C ATOM 976 C HIS A 178 28.573 4.209 -9.331 1.00 64.24 C ATOM 977 O HIS A 178 27.785 3.549 -8.655 1.00 50.31 O ATOM 978 CB HIS A 178 27.022 6.154 -9.069 1.00 62.33 C ATOM 979 CG HIS A 178 26.633 7.539 -9.483 1.00 51.43 C ATOM 980 ND1 HIS A 178 25.325 7.923 -9.692 1.00 10.14 N ATOM 981 CD2 HIS A 178 27.388 8.636 -9.726 1.00 64.01 C ATOM 982 CE1 HIS A 178 25.293 9.195 -10.046 1.00 51.33 C ATOM 983 NE2 HIS A 178 26.532 9.651 -10.074 1.00 41.52 N ATOM 0 H HIS A 178 27.233 4.638 -11.517 1.00 4.30 H new ATOM 0 HA HIS A 178 29.031 6.239 -9.825 1.00 25.53 H new ATOM 0 HB2 HIS A 178 26.155 5.500 -9.158 1.00 62.33 H new ATOM 0 HB3 HIS A 178 27.307 6.165 -8.017 1.00 62.33 H new ATOM 0 HD2 HIS A 178 28.464 8.701 -9.659 1.00 64.01 H new ATOM 0 HE1 HIS A 178 24.405 9.765 -10.274 1.00 51.33 H new ATOM 0 HE2 HIS A 178 26.808 10.603 -10.315 1.00 41.52 H new ATOM 990 N GLU A 179 29.803 3.795 -9.619 1.00 65.14 N ATOM 991 CA GLU A 179 30.307 2.511 -9.146 1.00 61.10 C ATOM 992 C GLU A 179 30.746 2.603 -7.687 1.00 51.04 C ATOM 993 O GLU A 179 30.615 1.644 -6.927 1.00 64.50 O ATOM 994 CB GLU A 179 31.478 2.046 -10.014 1.00 23.00 C ATOM 995 CG GLU A 179 32.663 2.998 -9.999 1.00 33.55 C ATOM 996 CD GLU A 179 33.765 2.542 -9.062 1.00 13.24 C ATOM 997 OE1 GLU A 179 34.170 1.364 -9.152 1.00 1.32 O ATOM 998 OE2 GLU A 179 34.221 3.363 -8.239 1.00 23.23 O ATOM 0 H GLU A 179 30.468 4.330 -10.177 1.00 65.14 H new ATOM 0 HA GLU A 179 29.499 1.783 -9.219 1.00 61.10 H new ATOM 0 HB2 GLU A 179 31.807 1.065 -9.671 1.00 23.00 H new ATOM 0 HB3 GLU A 179 31.133 1.925 -11.041 1.00 23.00 H new ATOM 0 HG2 GLU A 179 33.064 3.089 -11.008 1.00 33.55 H new ATOM 0 HG3 GLU A 179 32.324 3.990 -9.700 1.00 33.55 H new ATOM 1005 N ASP A 180 31.267 3.764 -7.305 1.00 32.53 N ATOM 1006 CA ASP A 180 31.725 3.982 -5.938 1.00 11.43 C ATOM 1007 C ASP A 180 30.546 4.025 -4.970 1.00 4.01 C ATOM 1008 O ASP A 180 30.705 3.786 -3.773 1.00 44.53 O ATOM 1009 CB ASP A 180 32.523 5.284 -5.847 1.00 11.13 C ATOM 1010 CG ASP A 180 33.316 5.388 -4.559 1.00 11.22 C ATOM 1011 OD1 ASP A 180 34.131 4.481 -4.289 1.00 52.44 O ATOM 1012 OD2 ASP A 180 33.121 6.376 -3.820 1.00 11.12 O ATOM 0 H ASP A 180 31.383 4.568 -7.922 1.00 32.53 H new ATOM 0 HA ASP A 180 32.370 3.149 -5.660 1.00 11.43 H new ATOM 0 HB2 ASP A 180 33.204 5.350 -6.696 1.00 11.13 H new ATOM 0 HB3 ASP A 180 31.841 6.131 -5.920 1.00 11.13 H new ATOM 1017 N GLU A 181 29.365 4.331 -5.497 1.00 41.50 N ATOM 1018 CA GLU A 181 28.161 4.407 -4.678 1.00 53.15 C ATOM 1019 C GLU A 181 27.033 3.583 -5.293 1.00 13.12 C ATOM 1020 O GLU A 181 26.558 3.880 -6.389 1.00 74.54 O ATOM 1021 CB GLU A 181 27.716 5.862 -4.520 1.00 12.53 C ATOM 1022 CG GLU A 181 27.486 6.275 -3.075 1.00 71.53 C ATOM 1023 CD GLU A 181 26.353 5.507 -2.423 1.00 35.00 C ATOM 1024 OE1 GLU A 181 25.290 5.361 -3.063 1.00 41.12 O ATOM 1025 OE2 GLU A 181 26.527 5.053 -1.273 1.00 64.32 O ATOM 0 H GLU A 181 29.216 4.530 -6.486 1.00 41.50 H new ATOM 0 HA GLU A 181 28.394 3.997 -3.695 1.00 53.15 H new ATOM 0 HB2 GLU A 181 28.471 6.514 -4.960 1.00 12.53 H new ATOM 0 HB3 GLU A 181 26.796 6.015 -5.084 1.00 12.53 H new ATOM 0 HG2 GLU A 181 28.402 6.117 -2.506 1.00 71.53 H new ATOM 0 HG3 GLU A 181 27.266 7.342 -3.036 1.00 71.53 H new ATOM 1032 N LYS A 182 26.609 2.546 -4.578 1.00 53.24 N ATOM 1033 CA LYS A 182 25.536 1.678 -5.051 1.00 5.24 C ATOM 1034 C LYS A 182 24.171 2.279 -4.733 1.00 73.40 C ATOM 1035 O LYS A 182 24.070 3.269 -4.009 1.00 30.13 O ATOM 1036 CB LYS A 182 25.657 0.292 -4.413 1.00 53.05 C ATOM 1037 CG LYS A 182 26.034 -0.800 -5.400 1.00 34.04 C ATOM 1038 CD LYS A 182 26.544 -2.042 -4.688 1.00 74.02 C ATOM 1039 CE LYS A 182 25.706 -3.264 -5.031 1.00 34.23 C ATOM 1040 NZ LYS A 182 25.807 -4.318 -3.983 1.00 40.40 N ATOM 0 H LYS A 182 26.992 2.286 -3.669 1.00 53.24 H new ATOM 0 HA LYS A 182 25.628 1.583 -6.133 1.00 5.24 H new ATOM 0 HB2 LYS A 182 26.406 0.329 -3.622 1.00 53.05 H new ATOM 0 HB3 LYS A 182 24.708 0.033 -3.942 1.00 53.05 H new ATOM 0 HG2 LYS A 182 25.167 -1.058 -6.008 1.00 34.04 H new ATOM 0 HG3 LYS A 182 26.801 -0.429 -6.080 1.00 34.04 H new ATOM 0 HD2 LYS A 182 27.582 -2.222 -4.966 1.00 74.02 H new ATOM 0 HD3 LYS A 182 26.527 -1.878 -3.611 1.00 74.02 H new ATOM 0 HE2 LYS A 182 24.664 -2.968 -5.149 1.00 34.23 H new ATOM 0 HE3 LYS A 182 26.032 -3.671 -5.988 1.00 34.23 H new ATOM 0 HZ1 LYS A 182 25.222 -5.134 -4.254 1.00 40.40 H new ATOM 0 HZ2 LYS A 182 26.798 -4.619 -3.888 1.00 40.40 H new ATOM 0 HZ3 LYS A 182 25.472 -3.938 -3.075 1.00 40.40 H new ATOM 1054 N VAL A 183 23.121 1.672 -5.279 1.00 22.15 N ATOM 1055 CA VAL A 183 21.761 2.145 -5.051 1.00 41.20 C ATOM 1056 C VAL A 183 21.234 1.674 -3.700 1.00 40.22 C ATOM 1057 O VAL A 183 21.165 0.475 -3.433 1.00 53.35 O ATOM 1058 CB VAL A 183 20.806 1.662 -6.159 1.00 2.40 C ATOM 1059 CG1 VAL A 183 21.135 2.340 -7.480 1.00 40.33 C ATOM 1060 CG2 VAL A 183 20.872 0.149 -6.296 1.00 73.20 C ATOM 0 H VAL A 183 23.187 0.852 -5.882 1.00 22.15 H new ATOM 0 HA VAL A 183 21.799 3.234 -5.063 1.00 41.20 H new ATOM 0 HB VAL A 183 19.788 1.935 -5.882 1.00 2.40 H new ATOM 0 HG11 VAL A 183 20.450 1.987 -8.251 1.00 40.33 H new ATOM 0 HG12 VAL A 183 21.032 3.420 -7.370 1.00 40.33 H new ATOM 0 HG13 VAL A 183 22.159 2.100 -7.767 1.00 40.33 H new ATOM 0 HG21 VAL A 183 20.191 -0.175 -7.083 1.00 73.20 H new ATOM 0 HG22 VAL A 183 21.889 -0.149 -6.550 1.00 73.20 H new ATOM 0 HG23 VAL A 183 20.583 -0.315 -5.353 1.00 73.20 H new ATOM 1070 N ASN A 184 20.863 2.627 -2.851 1.00 70.01 N ATOM 1071 CA ASN A 184 20.342 2.310 -1.527 1.00 34.34 C ATOM 1072 C ASN A 184 19.095 3.134 -1.221 1.00 13.01 C ATOM 1073 O ASN A 184 18.741 3.336 -0.060 1.00 30.44 O ATOM 1074 CB ASN A 184 21.409 2.565 -0.461 1.00 23.12 C ATOM 1075 CG ASN A 184 22.381 1.408 -0.327 1.00 15.03 C ATOM 1076 OD1 ASN A 184 23.126 1.098 -1.256 1.00 60.01 O ATOM 1077 ND2 ASN A 184 22.376 0.763 0.834 1.00 14.11 N ATOM 0 H ASN A 184 20.914 3.625 -3.057 1.00 70.01 H new ATOM 0 HA ASN A 184 20.071 1.254 -1.515 1.00 34.34 H new ATOM 0 HB2 ASN A 184 21.960 3.471 -0.712 1.00 23.12 H new ATOM 0 HB3 ASN A 184 20.924 2.742 0.499 1.00 23.12 H new ATOM 0 HD21 ASN A 184 23.007 -0.024 0.983 1.00 14.11 H new ATOM 0 HD22 ASN A 184 21.741 1.055 1.577 1.00 14.11 H new ATOM 1084 N MET A 185 18.433 3.607 -2.272 1.00 12.43 N ATOM 1085 CA MET A 185 17.224 4.408 -2.116 1.00 2.45 C ATOM 1086 C MET A 185 16.183 4.031 -3.164 1.00 35.31 C ATOM 1087 O MET A 185 16.455 3.238 -4.066 1.00 51.20 O ATOM 1088 CB MET A 185 17.556 5.898 -2.223 1.00 63.11 C ATOM 1089 CG MET A 185 17.986 6.521 -0.905 1.00 42.41 C ATOM 1090 SD MET A 185 17.910 8.323 -0.931 1.00 64.35 S ATOM 1091 CE MET A 185 17.210 8.656 0.683 1.00 73.21 C ATOM 0 H MET A 185 18.713 3.450 -3.240 1.00 12.43 H new ATOM 0 HA MET A 185 16.809 4.206 -1.129 1.00 2.45 H new ATOM 0 HB2 MET A 185 18.352 6.033 -2.956 1.00 63.11 H new ATOM 0 HB3 MET A 185 16.682 6.430 -2.599 1.00 63.11 H new ATOM 0 HG2 MET A 185 17.348 6.146 -0.105 1.00 42.41 H new ATOM 0 HG3 MET A 185 19.004 6.207 -0.674 1.00 42.41 H new ATOM 0 HE1 MET A 185 17.101 9.732 0.817 1.00 73.21 H new ATOM 0 HE2 MET A 185 16.233 8.180 0.761 1.00 73.21 H new ATOM 0 HE3 MET A 185 17.870 8.259 1.455 1.00 73.21 H new ATOM 1101 N TYR A 186 14.990 4.602 -3.039 1.00 11.11 N ATOM 1102 CA TYR A 186 13.907 4.323 -3.974 1.00 72.13 C ATOM 1103 C TYR A 186 13.132 5.594 -4.305 1.00 54.54 C ATOM 1104 O TYR A 186 12.810 6.359 -3.397 1.00 32.10 O ATOM 1105 CB TYR A 186 12.960 3.272 -3.392 1.00 1.10 C ATOM 1106 CG TYR A 186 11.941 2.759 -4.384 1.00 50.11 C ATOM 1107 CD1 TYR A 186 10.816 3.509 -4.704 1.00 72.04 C ATOM 1108 CD2 TYR A 186 12.102 1.524 -5.000 1.00 44.44 C ATOM 1109 CE1 TYR A 186 9.882 3.044 -5.610 1.00 14.13 C ATOM 1110 CE2 TYR A 186 11.174 1.052 -5.908 1.00 41.30 C ATOM 1111 CZ TYR A 186 10.065 1.816 -6.209 1.00 64.42 C ATOM 1112 OH TYR A 186 9.138 1.348 -7.112 1.00 13.23 O ATOM 0 H TYR A 186 14.749 5.261 -2.299 1.00 11.11 H new ATOM 0 HA TYR A 186 14.346 3.937 -4.894 1.00 72.13 H new ATOM 0 HB2 TYR A 186 13.547 2.432 -3.020 1.00 1.10 H new ATOM 0 HB3 TYR A 186 12.438 3.700 -2.536 1.00 1.10 H new ATOM 0 HD1 TYR A 186 10.669 4.472 -4.237 1.00 72.04 H new ATOM 0 HD2 TYR A 186 12.968 0.923 -4.765 1.00 44.44 H new ATOM 0 HE1 TYR A 186 9.013 3.640 -5.848 1.00 14.13 H new ATOM 0 HE2 TYR A 186 11.316 0.091 -6.379 1.00 41.30 H new ATOM 0 HH TYR A 186 9.599 0.895 -7.849 1.00 13.23 H new ATOM 1122 N CYS A 187 12.851 5.790 -5.586 1.00 5.35 N ATOM 1123 CA CYS A 187 12.117 6.966 -6.019 1.00 51.45 C ATOM 1124 C CYS A 187 10.688 6.541 -6.361 1.00 55.21 C ATOM 1125 O CYS A 187 10.447 5.530 -7.021 1.00 51.33 O ATOM 1126 CB CYS A 187 12.803 7.659 -7.198 1.00 45.14 C ATOM 1127 SG CYS A 187 11.792 9.074 -7.769 1.00 20.44 S ATOM 0 H CYS A 187 13.119 5.154 -6.337 1.00 5.35 H new ATOM 0 HA CYS A 187 12.094 7.700 -5.214 1.00 51.45 H new ATOM 0 HB2 CYS A 187 13.793 8.005 -6.901 1.00 45.14 H new ATOM 0 HB3 CYS A 187 12.945 6.950 -8.014 1.00 45.14 H new ATOM 0 HG CYS A 187 12.548 9.919 -8.404 1.00 20.44 H new ATOM 1132 N VAL A 188 9.736 7.342 -5.893 1.00 11.52 N ATOM 1133 CA VAL A 188 8.323 7.074 -6.134 1.00 42.22 C ATOM 1134 C VAL A 188 7.882 7.628 -7.484 1.00 73.34 C ATOM 1135 O VAL A 188 7.185 6.956 -8.246 1.00 14.31 O ATOM 1136 CB VAL A 188 7.440 7.682 -5.029 1.00 35.02 C ATOM 1137 CG1 VAL A 188 5.969 7.416 -5.314 1.00 2.03 C ATOM 1138 CG2 VAL A 188 7.836 7.131 -3.667 1.00 75.34 C ATOM 0 H VAL A 188 9.918 8.182 -5.344 1.00 11.52 H new ATOM 0 HA VAL A 188 8.201 5.991 -6.131 1.00 42.22 H new ATOM 0 HB VAL A 188 7.594 8.761 -5.018 1.00 35.02 H new ATOM 0 HG11 VAL A 188 5.360 7.853 -4.522 1.00 2.03 H new ATOM 0 HG12 VAL A 188 5.697 7.863 -6.270 1.00 2.03 H new ATOM 0 HG13 VAL A 188 5.795 6.341 -5.354 1.00 2.03 H new ATOM 0 HG21 VAL A 188 7.202 7.572 -2.898 1.00 75.34 H new ATOM 0 HG22 VAL A 188 7.713 6.048 -3.663 1.00 75.34 H new ATOM 0 HG23 VAL A 188 8.878 7.378 -3.463 1.00 75.34 H new ATOM 1148 N THR A 189 8.293 8.858 -7.777 1.00 33.23 N ATOM 1149 CA THR A 189 7.939 9.503 -9.035 1.00 24.11 C ATOM 1150 C THR A 189 8.353 8.647 -10.227 1.00 34.14 C ATOM 1151 O THR A 189 7.766 8.742 -11.305 1.00 35.04 O ATOM 1152 CB THR A 189 8.599 10.889 -9.160 1.00 11.31 C ATOM 1153 OG1 THR A 189 8.217 11.715 -8.054 1.00 23.21 O ATOM 1154 CG2 THR A 189 8.199 11.563 -10.464 1.00 0.12 C ATOM 0 H THR A 189 8.872 9.427 -7.160 1.00 33.23 H new ATOM 0 HA THR A 189 6.856 9.623 -9.035 1.00 24.11 H new ATOM 0 HB THR A 189 9.681 10.754 -9.156 1.00 11.31 H new ATOM 0 HG1 THR A 189 8.642 12.594 -8.140 1.00 23.21 H new ATOM 0 HG21 THR A 189 8.677 12.540 -10.530 1.00 0.12 H new ATOM 0 HG22 THR A 189 8.516 10.946 -11.305 1.00 0.12 H new ATOM 0 HG23 THR A 189 7.116 11.686 -10.493 1.00 0.12 H new ATOM 1162 N ASP A 190 9.365 7.811 -10.026 1.00 23.13 N ATOM 1163 CA ASP A 190 9.856 6.936 -11.084 1.00 70.02 C ATOM 1164 C ASP A 190 9.548 5.476 -10.768 1.00 63.43 C ATOM 1165 O ASP A 190 9.546 4.625 -11.658 1.00 74.13 O ATOM 1166 CB ASP A 190 11.362 7.123 -11.273 1.00 2.52 C ATOM 1167 CG ASP A 190 11.739 8.571 -11.522 1.00 73.31 C ATOM 1168 OD1 ASP A 190 10.831 9.378 -11.813 1.00 64.31 O ATOM 1169 OD2 ASP A 190 12.941 8.896 -11.427 1.00 52.21 O ATOM 0 H ASP A 190 9.862 7.721 -9.140 1.00 23.13 H new ATOM 0 HA ASP A 190 9.346 7.205 -12.009 1.00 70.02 H new ATOM 0 HB2 ASP A 190 11.884 6.762 -10.387 1.00 2.52 H new ATOM 0 HB3 ASP A 190 11.698 6.514 -12.112 1.00 2.52 H new ATOM 1174 N ASP A 191 9.291 5.192 -9.496 1.00 53.53 N ATOM 1175 CA ASP A 191 8.982 3.835 -9.063 1.00 33.15 C ATOM 1176 C ASP A 191 10.170 2.907 -9.293 1.00 63.13 C ATOM 1177 O ASP A 191 9.998 1.715 -9.548 1.00 4.23 O ATOM 1178 CB ASP A 191 7.754 3.306 -9.806 1.00 1.11 C ATOM 1179 CG ASP A 191 6.803 2.557 -8.893 1.00 51.15 C ATOM 1180 OD1 ASP A 191 6.232 3.191 -7.981 1.00 50.55 O ATOM 1181 OD2 ASP A 191 6.629 1.337 -9.092 1.00 34.31 O ATOM 0 H ASP A 191 9.291 5.884 -8.747 1.00 53.53 H new ATOM 0 HA ASP A 191 8.767 3.862 -7.995 1.00 33.15 H new ATOM 0 HB2 ASP A 191 7.227 4.140 -10.270 1.00 1.11 H new ATOM 0 HB3 ASP A 191 8.077 2.645 -10.611 1.00 1.11 H new ATOM 1186 N GLN A 192 11.374 3.462 -9.204 1.00 4.53 N ATOM 1187 CA GLN A 192 12.591 2.684 -9.405 1.00 0.33 C ATOM 1188 C GLN A 192 13.573 2.903 -8.258 1.00 51.35 C ATOM 1189 O GLN A 192 13.319 3.698 -7.353 1.00 13.35 O ATOM 1190 CB GLN A 192 13.248 3.060 -10.734 1.00 3.32 C ATOM 1191 CG GLN A 192 13.117 1.987 -11.802 1.00 41.15 C ATOM 1192 CD GLN A 192 14.461 1.478 -12.287 1.00 14.43 C ATOM 1193 OE1 GLN A 192 15.438 1.461 -11.537 1.00 54.25 O ATOM 1194 NE2 GLN A 192 14.517 1.060 -13.546 1.00 13.22 N ATOM 0 H GLN A 192 11.533 4.447 -8.994 1.00 4.53 H new ATOM 0 HA GLN A 192 12.318 1.629 -9.429 1.00 0.33 H new ATOM 0 HB2 GLN A 192 12.801 3.984 -11.102 1.00 3.32 H new ATOM 0 HB3 GLN A 192 14.305 3.263 -10.563 1.00 3.32 H new ATOM 0 HG2 GLN A 192 12.539 1.153 -11.404 1.00 41.15 H new ATOM 0 HG3 GLN A 192 12.558 2.388 -12.648 1.00 41.15 H new ATOM 0 HE21 GLN A 192 13.682 1.092 -14.132 1.00 13.22 H new ATOM 0 HE22 GLN A 192 15.395 0.707 -13.928 1.00 13.22 H new ATOM 1203 N LEU A 193 14.695 2.194 -8.304 1.00 31.45 N ATOM 1204 CA LEU A 193 15.716 2.310 -7.268 1.00 70.11 C ATOM 1205 C LEU A 193 16.759 3.356 -7.647 1.00 63.14 C ATOM 1206 O LEU A 193 17.048 3.559 -8.827 1.00 42.30 O ATOM 1207 CB LEU A 193 16.393 0.958 -7.038 1.00 21.23 C ATOM 1208 CG LEU A 193 15.531 -0.121 -6.382 1.00 22.45 C ATOM 1209 CD1 LEU A 193 15.978 -1.505 -6.826 1.00 63.22 C ATOM 1210 CD2 LEU A 193 15.589 -0.002 -4.866 1.00 3.44 C ATOM 0 H LEU A 193 14.921 1.533 -9.047 1.00 31.45 H new ATOM 0 HA LEU A 193 15.229 2.627 -6.346 1.00 70.11 H new ATOM 0 HB2 LEU A 193 16.743 0.581 -7.999 1.00 21.23 H new ATOM 0 HB3 LEU A 193 17.275 1.117 -6.418 1.00 21.23 H new ATOM 0 HG LEU A 193 14.498 0.024 -6.699 1.00 22.45 H new ATOM 0 HD11 LEU A 193 15.353 -2.260 -6.349 1.00 63.22 H new ATOM 0 HD12 LEU A 193 15.884 -1.588 -7.909 1.00 63.22 H new ATOM 0 HD13 LEU A 193 17.018 -1.661 -6.539 1.00 63.22 H new ATOM 0 HD21 LEU A 193 14.970 -0.778 -4.416 1.00 3.44 H new ATOM 0 HD22 LEU A 193 16.619 -0.121 -4.531 1.00 3.44 H new ATOM 0 HD23 LEU A 193 15.220 0.978 -4.564 1.00 3.44 H new ATOM 1222 N ILE A 194 17.322 4.015 -6.640 1.00 64.42 N ATOM 1223 CA ILE A 194 18.336 5.037 -6.868 1.00 61.14 C ATOM 1224 C ILE A 194 19.381 5.032 -5.758 1.00 0.52 C ATOM 1225 O ILE A 194 19.252 4.257 -4.812 1.00 35.12 O ATOM 1226 CB ILE A 194 17.709 6.440 -6.962 1.00 41.43 C ATOM 1227 CG1 ILE A 194 16.936 6.764 -5.682 1.00 52.14 C ATOM 1228 CG2 ILE A 194 16.797 6.533 -8.176 1.00 71.24 C ATOM 1229 CD1 ILE A 194 16.836 8.246 -5.395 1.00 24.12 C ATOM 0 H ILE A 194 17.093 3.859 -5.658 1.00 64.42 H new ATOM 0 HA ILE A 194 18.817 4.799 -7.817 1.00 61.14 H new ATOM 0 HB ILE A 194 18.509 7.172 -7.076 1.00 41.43 H new ATOM 0 HG12 ILE A 194 15.931 6.349 -5.759 1.00 52.14 H new ATOM 0 HG13 ILE A 194 17.421 6.271 -4.840 1.00 52.14 H new ATOM 0 HG21 ILE A 194 16.362 7.531 -8.228 1.00 71.24 H new ATOM 0 HG22 ILE A 194 17.374 6.341 -9.080 1.00 71.24 H new ATOM 0 HG23 ILE A 194 16.001 5.794 -8.090 1.00 71.24 H new ATOM 0 HD11 ILE A 194 16.275 8.401 -4.473 1.00 24.12 H new ATOM 0 HD12 ILE A 194 17.837 8.664 -5.286 1.00 24.12 H new ATOM 0 HD13 ILE A 194 16.324 8.742 -6.219 1.00 24.12 H new ATOM 1241 N CYS A 195 20.382 5.890 -5.894 1.00 31.04 N ATOM 1242 CA CYS A 195 21.435 5.975 -4.896 1.00 12.42 C ATOM 1243 C CYS A 195 21.325 7.332 -4.197 1.00 44.10 C ATOM 1244 O CYS A 195 20.881 8.327 -4.769 1.00 70.33 O ATOM 1245 CB CYS A 195 22.818 5.761 -5.513 1.00 41.45 C ATOM 1246 SG CYS A 195 23.271 7.201 -6.548 1.00 42.21 S ATOM 0 H CYS A 195 20.486 6.532 -6.680 1.00 31.04 H new ATOM 0 HA CYS A 195 21.310 5.178 -4.163 1.00 12.42 H new ATOM 0 HB2 CYS A 195 23.559 5.621 -4.726 1.00 41.45 H new ATOM 0 HB3 CYS A 195 22.819 4.854 -6.117 1.00 41.45 H new ATOM 0 HG CYS A 195 24.448 7.010 -7.066 1.00 42.21 H new ATOM 1251 N ALA A 196 21.745 7.350 -2.936 1.00 34.30 N ATOM 1252 CA ALA A 196 21.707 8.567 -2.135 1.00 40.35 C ATOM 1253 C ALA A 196 22.475 9.695 -2.816 1.00 4.34 C ATOM 1254 O ALA A 196 22.160 10.872 -2.635 1.00 11.21 O ATOM 1255 CB ALA A 196 22.271 8.304 -0.747 1.00 63.23 C ATOM 0 H ALA A 196 22.116 6.535 -2.447 1.00 34.30 H new ATOM 0 HA ALA A 196 20.667 8.877 -2.038 1.00 40.35 H new ATOM 0 HB1 ALA A 196 22.236 9.222 -0.160 1.00 63.23 H new ATOM 0 HB2 ALA A 196 21.678 7.535 -0.253 1.00 63.23 H new ATOM 0 HB3 ALA A 196 23.304 7.967 -0.832 1.00 63.23 H new ATOM 1261 N LEU A 197 23.485 9.330 -3.597 1.00 62.53 N ATOM 1262 CA LEU A 197 24.300 10.312 -4.305 1.00 32.54 C ATOM 1263 C LEU A 197 23.495 10.995 -5.405 1.00 42.15 C ATOM 1264 O LEU A 197 23.864 12.089 -5.830 1.00 14.34 O ATOM 1265 CB LEU A 197 25.537 9.641 -4.903 1.00 63.53 C ATOM 1266 CG LEU A 197 26.635 10.581 -5.403 1.00 31.50 C ATOM 1267 CD1 LEU A 197 27.546 10.994 -4.258 1.00 20.24 C ATOM 1268 CD2 LEU A 197 27.438 9.920 -6.514 1.00 30.21 C ATOM 0 H LEU A 197 23.760 8.361 -3.757 1.00 62.53 H new ATOM 0 HA LEU A 197 24.617 11.070 -3.589 1.00 32.54 H new ATOM 0 HB2 LEU A 197 25.967 8.980 -4.150 1.00 63.53 H new ATOM 0 HB3 LEU A 197 25.218 9.012 -5.734 1.00 63.53 H new ATOM 0 HG LEU A 197 26.164 11.477 -5.806 1.00 31.50 H new ATOM 0 HD11 LEU A 197 28.321 11.663 -4.633 1.00 20.24 H new ATOM 0 HD12 LEU A 197 26.961 11.508 -3.495 1.00 20.24 H new ATOM 0 HD13 LEU A 197 28.010 10.108 -3.824 1.00 20.24 H new ATOM 0 HD21 LEU A 197 28.215 10.603 -6.858 1.00 30.21 H new ATOM 0 HD22 LEU A 197 27.899 9.007 -6.136 1.00 30.21 H new ATOM 0 HD23 LEU A 197 26.776 9.675 -7.345 1.00 30.21 H new ATOM 1280 N CYS A 198 22.425 10.344 -5.838 1.00 1.22 N ATOM 1281 CA CYS A 198 21.582 10.901 -6.882 1.00 61.43 C ATOM 1282 C CYS A 198 20.653 11.938 -6.248 1.00 45.23 C ATOM 1283 O CYS A 198 20.373 12.996 -6.813 1.00 2.05 O ATOM 1284 CB CYS A 198 20.801 9.811 -7.620 1.00 23.35 C ATOM 1285 SG CYS A 198 21.778 9.191 -9.038 1.00 3.44 S ATOM 0 H CYS A 198 22.123 9.436 -5.485 1.00 1.22 H new ATOM 0 HA CYS A 198 22.204 11.384 -7.635 1.00 61.43 H new ATOM 0 HB2 CYS A 198 20.573 8.991 -6.939 1.00 23.35 H new ATOM 0 HB3 CYS A 198 19.848 10.209 -7.970 1.00 23.35 H new ATOM 0 HG CYS A 198 22.621 8.292 -8.624 1.00 3.44 H new ATOM 1290 N LYS A 199 20.178 11.610 -5.052 1.00 21.32 N ATOM 1291 CA LYS A 199 19.281 12.493 -4.316 1.00 22.34 C ATOM 1292 C LYS A 199 20.036 13.698 -3.764 1.00 21.22 C ATOM 1293 O LYS A 199 19.452 14.759 -3.537 1.00 62.54 O ATOM 1294 CB LYS A 199 18.609 11.731 -3.171 1.00 55.22 C ATOM 1295 CG LYS A 199 17.281 12.330 -2.739 1.00 44.52 C ATOM 1296 CD LYS A 199 17.004 12.069 -1.268 1.00 72.34 C ATOM 1297 CE LYS A 199 17.368 13.270 -0.410 1.00 53.50 C ATOM 1298 NZ LYS A 199 16.256 14.258 -0.338 1.00 55.14 N ATOM 0 H LYS A 199 20.399 10.738 -4.571 1.00 21.32 H new ATOM 0 HA LYS A 199 18.516 12.850 -5.006 1.00 22.34 H new ATOM 0 HB2 LYS A 199 18.449 10.697 -3.478 1.00 55.22 H new ATOM 0 HB3 LYS A 199 19.284 11.709 -2.315 1.00 55.22 H new ATOM 0 HG2 LYS A 199 17.288 13.404 -2.924 1.00 44.52 H new ATOM 0 HG3 LYS A 199 16.477 11.908 -3.342 1.00 44.52 H new ATOM 0 HD2 LYS A 199 15.949 11.830 -1.132 1.00 72.34 H new ATOM 0 HD3 LYS A 199 17.573 11.200 -0.938 1.00 72.34 H new ATOM 0 HE2 LYS A 199 17.621 12.934 0.596 1.00 53.50 H new ATOM 0 HE3 LYS A 199 18.256 13.752 -0.818 1.00 53.50 H new ATOM 0 HZ1 LYS A 199 16.544 15.062 0.256 1.00 55.14 H new ATOM 0 HZ2 LYS A 199 16.031 14.598 -1.295 1.00 55.14 H new ATOM 0 HZ3 LYS A 199 15.416 13.805 0.075 1.00 55.14 H new ATOM 1312 N LEU A 200 21.336 13.529 -3.551 1.00 23.33 N ATOM 1313 CA LEU A 200 22.172 14.604 -3.027 1.00 31.42 C ATOM 1314 C LEU A 200 22.481 15.631 -4.111 1.00 52.01 C ATOM 1315 O LEU A 200 22.261 16.828 -3.928 1.00 14.35 O ATOM 1316 CB LEU A 200 23.474 14.034 -2.462 1.00 5.43 C ATOM 1317 CG LEU A 200 24.130 14.843 -1.341 1.00 71.24 C ATOM 1318 CD1 LEU A 200 24.019 14.106 -0.016 1.00 33.21 C ATOM 1319 CD2 LEU A 200 25.587 15.130 -1.673 1.00 50.23 C ATOM 0 H LEU A 200 21.834 12.658 -3.733 1.00 23.33 H new ATOM 0 HA LEU A 200 21.623 15.101 -2.227 1.00 31.42 H new ATOM 0 HB2 LEU A 200 23.276 13.029 -2.090 1.00 5.43 H new ATOM 0 HB3 LEU A 200 24.189 13.936 -3.279 1.00 5.43 H new ATOM 0 HG LEU A 200 23.605 15.794 -1.250 1.00 71.24 H new ATOM 0 HD11 LEU A 200 24.491 14.696 0.769 1.00 33.21 H new ATOM 0 HD12 LEU A 200 22.968 13.952 0.228 1.00 33.21 H new ATOM 0 HD13 LEU A 200 24.519 13.140 -0.094 1.00 33.21 H new ATOM 0 HD21 LEU A 200 26.038 15.706 -0.865 1.00 50.23 H new ATOM 0 HD22 LEU A 200 26.125 14.190 -1.792 1.00 50.23 H new ATOM 0 HD23 LEU A 200 25.643 15.700 -2.600 1.00 50.23 H new ATOM 1331 N VAL A 201 22.990 15.155 -5.243 1.00 25.34 N ATOM 1332 CA VAL A 201 23.326 16.031 -6.358 1.00 45.13 C ATOM 1333 C VAL A 201 22.143 16.913 -6.740 1.00 1.20 C ATOM 1334 O VAL A 201 22.309 18.090 -7.057 1.00 44.11 O ATOM 1335 CB VAL A 201 23.770 15.223 -7.593 1.00 12.53 C ATOM 1336 CG1 VAL A 201 24.081 16.153 -8.756 1.00 13.12 C ATOM 1337 CG2 VAL A 201 24.973 14.355 -7.257 1.00 1.42 C ATOM 0 H VAL A 201 23.179 14.167 -5.412 1.00 25.34 H new ATOM 0 HA VAL A 201 24.153 16.660 -6.028 1.00 45.13 H new ATOM 0 HB VAL A 201 22.951 14.569 -7.891 1.00 12.53 H new ATOM 0 HG11 VAL A 201 24.393 15.565 -9.619 1.00 13.12 H new ATOM 0 HG12 VAL A 201 23.190 16.727 -9.011 1.00 13.12 H new ATOM 0 HG13 VAL A 201 24.883 16.834 -8.473 1.00 13.12 H new ATOM 0 HG21 VAL A 201 25.273 13.791 -8.140 1.00 1.42 H new ATOM 0 HG22 VAL A 201 25.799 14.988 -6.932 1.00 1.42 H new ATOM 0 HG23 VAL A 201 24.710 13.663 -6.457 1.00 1.42 H new ATOM 1347 N GLY A 202 20.946 16.335 -6.707 1.00 10.34 N ATOM 1348 CA GLY A 202 19.751 17.084 -7.051 1.00 22.40 C ATOM 1349 C GLY A 202 18.890 16.364 -8.069 1.00 74.33 C ATOM 1350 O GLY A 202 17.719 16.700 -8.251 1.00 44.20 O ATOM 0 H GLY A 202 20.782 15.362 -6.448 1.00 10.34 H new ATOM 0 HA2 GLY A 202 19.167 17.265 -6.149 1.00 22.40 H new ATOM 0 HA3 GLY A 202 20.038 18.059 -7.446 1.00 22.40 H new ATOM 1354 N ARG A 203 19.469 15.371 -8.737 1.00 2.15 N ATOM 1355 CA ARG A 203 18.747 14.604 -9.744 1.00 62.13 C ATOM 1356 C ARG A 203 17.428 14.079 -9.186 1.00 14.21 C ATOM 1357 O ARG A 203 16.442 13.947 -9.913 1.00 25.11 O ATOM 1358 CB ARG A 203 19.604 13.437 -10.238 1.00 42.04 C ATOM 1359 CG ARG A 203 20.759 13.864 -11.130 1.00 10.04 C ATOM 1360 CD ARG A 203 21.815 12.775 -11.233 1.00 3.03 C ATOM 1361 NE ARG A 203 23.103 13.302 -11.677 1.00 71.33 N ATOM 1362 CZ ARG A 203 23.380 13.595 -12.943 1.00 75.52 C ATOM 1363 NH1 ARG A 203 22.463 13.413 -13.884 1.00 45.34 N ATOM 1364 NH2 ARG A 203 24.574 14.070 -13.269 1.00 45.25 N ATOM 0 H ARG A 203 20.437 15.079 -8.598 1.00 2.15 H new ATOM 0 HA ARG A 203 18.529 15.267 -10.582 1.00 62.13 H new ATOM 0 HB2 ARG A 203 20.001 12.899 -9.377 1.00 42.04 H new ATOM 0 HB3 ARG A 203 18.971 12.739 -10.786 1.00 42.04 H new ATOM 0 HG2 ARG A 203 20.383 14.103 -12.125 1.00 10.04 H new ATOM 0 HG3 ARG A 203 21.210 14.773 -10.733 1.00 10.04 H new ATOM 0 HD2 ARG A 203 21.935 12.294 -10.262 1.00 3.03 H new ATOM 0 HD3 ARG A 203 21.478 12.008 -11.930 1.00 3.03 H new ATOM 0 HE ARG A 203 23.829 13.453 -10.977 1.00 71.33 H new ATOM 0 HH11 ARG A 203 21.544 13.048 -13.636 1.00 45.34 H new ATOM 0 HH12 ARG A 203 22.677 13.638 -14.855 1.00 45.34 H new ATOM 0 HH21 ARG A 203 25.281 14.211 -12.548 1.00 45.25 H new ATOM 0 HH22 ARG A 203 24.785 14.295 -14.241 1.00 45.25 H new ATOM 1378 N HIS A 204 17.416 13.781 -7.890 1.00 52.25 N ATOM 1379 CA HIS A 204 16.217 13.271 -7.234 1.00 63.23 C ATOM 1380 C HIS A 204 15.973 13.991 -5.912 1.00 5.23 C ATOM 1381 O HIS A 204 15.604 13.371 -4.915 1.00 24.44 O ATOM 1382 CB HIS A 204 16.344 11.766 -6.993 1.00 52.32 C ATOM 1383 CG HIS A 204 16.395 10.960 -8.254 1.00 74.32 C ATOM 1384 ND1 HIS A 204 15.318 10.243 -8.733 1.00 41.21 N ATOM 1385 CD2 HIS A 204 17.400 10.760 -9.138 1.00 5.25 C ATOM 1386 CE1 HIS A 204 15.660 9.636 -9.856 1.00 3.45 C ATOM 1387 NE2 HIS A 204 16.919 9.934 -10.123 1.00 51.33 N ATOM 0 H HIS A 204 18.222 13.884 -7.274 1.00 52.25 H new ATOM 0 HA HIS A 204 15.367 13.456 -7.890 1.00 63.23 H new ATOM 0 HB2 HIS A 204 17.246 11.574 -6.412 1.00 52.32 H new ATOM 0 HB3 HIS A 204 15.500 11.430 -6.391 1.00 52.32 H new ATOM 0 HD2 HIS A 204 18.396 11.174 -9.079 1.00 5.25 H new ATOM 0 HE1 HIS A 204 15.020 9.004 -10.453 1.00 3.45 H new ATOM 0 HE2 HIS A 204 17.448 9.604 -10.930 1.00 51.33 H new ATOM 1394 N ARG A 205 16.183 15.304 -5.911 1.00 31.41 N ATOM 1395 CA ARG A 205 15.988 16.108 -4.711 1.00 32.35 C ATOM 1396 C ARG A 205 14.509 16.422 -4.501 1.00 64.10 C ATOM 1397 O ARG A 205 13.985 16.282 -3.396 1.00 23.11 O ATOM 1398 CB ARG A 205 16.788 17.408 -4.806 1.00 51.13 C ATOM 1399 CG ARG A 205 17.935 17.492 -3.813 1.00 11.15 C ATOM 1400 CD ARG A 205 18.440 18.919 -3.664 1.00 33.23 C ATOM 1401 NE ARG A 205 18.369 19.383 -2.281 1.00 15.11 N ATOM 1402 CZ ARG A 205 18.495 20.657 -1.926 1.00 34.00 C ATOM 1403 NH1 ARG A 205 18.697 21.588 -2.848 1.00 13.54 N ATOM 1404 NH2 ARG A 205 18.418 21.001 -0.647 1.00 0.32 N ATOM 0 H ARG A 205 16.488 15.833 -6.728 1.00 31.41 H new ATOM 0 HA ARG A 205 16.344 15.532 -3.857 1.00 32.35 H new ATOM 0 HB2 ARG A 205 17.185 17.507 -5.816 1.00 51.13 H new ATOM 0 HB3 ARG A 205 16.116 18.251 -4.644 1.00 51.13 H new ATOM 0 HG2 ARG A 205 17.606 17.118 -2.843 1.00 11.15 H new ATOM 0 HG3 ARG A 205 18.751 16.849 -4.143 1.00 11.15 H new ATOM 0 HD2 ARG A 205 19.471 18.977 -4.013 1.00 33.23 H new ATOM 0 HD3 ARG A 205 17.850 19.580 -4.299 1.00 33.23 H new ATOM 0 HE ARG A 205 18.214 18.691 -1.548 1.00 15.11 H new ATOM 0 HH11 ARG A 205 18.756 21.327 -3.832 1.00 13.54 H new ATOM 0 HH12 ARG A 205 18.793 22.566 -2.573 1.00 13.54 H new ATOM 0 HH21 ARG A 205 18.262 20.287 0.065 1.00 0.32 H new ATOM 0 HH22 ARG A 205 18.515 21.979 -0.375 1.00 0.32 H new ATOM 1418 N ASP A 206 13.843 16.847 -5.569 1.00 4.42 N ATOM 1419 CA ASP A 206 12.425 17.181 -5.503 1.00 3.15 C ATOM 1420 C ASP A 206 11.569 15.918 -5.506 1.00 42.54 C ATOM 1421 O ASP A 206 10.364 15.972 -5.259 1.00 50.10 O ATOM 1422 CB ASP A 206 12.036 18.080 -6.677 1.00 14.11 C ATOM 1423 CG ASP A 206 11.076 19.181 -6.270 1.00 3.12 C ATOM 1424 OD1 ASP A 206 11.533 20.168 -5.656 1.00 54.11 O ATOM 1425 OD2 ASP A 206 9.869 19.055 -6.564 1.00 51.52 O ATOM 0 H ASP A 206 14.262 16.968 -6.491 1.00 4.42 H new ATOM 0 HA ASP A 206 12.246 17.717 -4.571 1.00 3.15 H new ATOM 0 HB2 ASP A 206 12.935 18.525 -7.103 1.00 14.11 H new ATOM 0 HB3 ASP A 206 11.579 17.474 -7.459 1.00 14.11 H new ATOM 1430 N HIS A 207 12.200 14.783 -5.790 1.00 35.01 N ATOM 1431 CA HIS A 207 11.495 13.506 -5.827 1.00 3.24 C ATOM 1432 C HIS A 207 11.248 12.981 -4.416 1.00 10.35 C ATOM 1433 O HIS A 207 12.085 13.144 -3.528 1.00 12.10 O ATOM 1434 CB HIS A 207 12.295 12.481 -6.632 1.00 1.54 C ATOM 1435 CG HIS A 207 12.139 12.630 -8.114 1.00 2.33 C ATOM 1436 ND1 HIS A 207 12.866 11.893 -9.025 1.00 10.33 N ATOM 1437 CD2 HIS A 207 11.332 13.437 -8.842 1.00 63.55 C ATOM 1438 CE1 HIS A 207 12.514 12.241 -10.250 1.00 22.13 C ATOM 1439 NE2 HIS A 207 11.585 13.175 -10.167 1.00 15.52 N ATOM 0 H HIS A 207 13.197 14.721 -5.998 1.00 35.01 H new ATOM 0 HA HIS A 207 10.531 13.665 -6.311 1.00 3.24 H new ATOM 0 HB2 HIS A 207 13.350 12.573 -6.375 1.00 1.54 H new ATOM 0 HB3 HIS A 207 11.982 11.478 -6.341 1.00 1.54 H new ATOM 0 HD1 HIS A 207 13.566 11.189 -8.790 1.00 10.33 H new ATOM 0 HD2 HIS A 207 10.622 14.153 -8.454 1.00 63.55 H new ATOM 0 HE1 HIS A 207 12.918 11.831 -11.164 1.00 22.13 H new ATOM 1446 N GLN A 208 10.094 12.352 -4.217 1.00 0.50 N ATOM 1447 CA GLN A 208 9.737 11.806 -2.913 1.00 61.43 C ATOM 1448 C GLN A 208 10.244 10.375 -2.766 1.00 21.22 C ATOM 1449 O GLN A 208 9.699 9.447 -3.364 1.00 12.12 O ATOM 1450 CB GLN A 208 8.220 11.844 -2.718 1.00 44.44 C ATOM 1451 CG GLN A 208 7.793 11.791 -1.261 1.00 12.24 C ATOM 1452 CD GLN A 208 6.383 11.263 -1.085 1.00 33.01 C ATOM 1453 OE1 GLN A 208 6.182 10.091 -0.764 1.00 51.22 O ATOM 1454 NE2 GLN A 208 5.396 12.127 -1.294 1.00 62.23 N ATOM 0 H GLN A 208 9.391 12.208 -4.942 1.00 0.50 H new ATOM 0 HA GLN A 208 10.210 12.421 -2.148 1.00 61.43 H new ATOM 0 HB2 GLN A 208 7.827 12.754 -3.170 1.00 44.44 H new ATOM 0 HB3 GLN A 208 7.772 11.004 -3.250 1.00 44.44 H new ATOM 0 HG2 GLN A 208 8.486 11.158 -0.706 1.00 12.24 H new ATOM 0 HG3 GLN A 208 7.859 12.790 -0.830 1.00 12.24 H new ATOM 0 HE21 GLN A 208 5.608 13.089 -1.559 1.00 62.23 H new ATOM 0 HE22 GLN A 208 4.426 11.828 -1.190 1.00 62.23 H new ATOM 1463 N VAL A 209 11.292 10.203 -1.966 1.00 34.13 N ATOM 1464 CA VAL A 209 11.872 8.885 -1.739 1.00 22.12 C ATOM 1465 C VAL A 209 11.637 8.420 -0.306 1.00 71.21 C ATOM 1466 O VAL A 209 11.129 9.171 0.526 1.00 40.34 O ATOM 1467 CB VAL A 209 13.385 8.881 -2.026 1.00 44.11 C ATOM 1468 CG1 VAL A 209 13.653 9.215 -3.486 1.00 12.33 C ATOM 1469 CG2 VAL A 209 14.104 9.857 -1.107 1.00 2.11 C ATOM 0 H VAL A 209 11.756 10.960 -1.464 1.00 34.13 H new ATOM 0 HA VAL A 209 11.377 8.199 -2.426 1.00 22.12 H new ATOM 0 HB VAL A 209 13.771 7.881 -1.830 1.00 44.11 H new ATOM 0 HG11 VAL A 209 14.727 9.207 -3.670 1.00 12.33 H new ATOM 0 HG12 VAL A 209 13.171 8.474 -4.123 1.00 12.33 H new ATOM 0 HG13 VAL A 209 13.253 10.203 -3.712 1.00 12.33 H new ATOM 0 HG21 VAL A 209 15.172 9.841 -1.324 1.00 2.11 H new ATOM 0 HG22 VAL A 209 13.716 10.863 -1.269 1.00 2.11 H new ATOM 0 HG23 VAL A 209 13.940 9.568 -0.069 1.00 2.11 H new ATOM 1479 N ALA A 210 12.010 7.176 -0.025 1.00 21.22 N ATOM 1480 CA ALA A 210 11.842 6.611 1.308 1.00 22.23 C ATOM 1481 C ALA A 210 13.181 6.174 1.892 1.00 5.12 C ATOM 1482 O ALA A 210 13.928 5.424 1.264 1.00 31.35 O ATOM 1483 CB ALA A 210 10.875 5.437 1.266 1.00 12.11 C ATOM 0 H ALA A 210 12.431 6.540 -0.703 1.00 21.22 H new ATOM 0 HA ALA A 210 11.429 7.386 1.954 1.00 22.23 H new ATOM 0 HB1 ALA A 210 10.759 5.025 2.268 1.00 12.11 H new ATOM 0 HB2 ALA A 210 9.906 5.776 0.899 1.00 12.11 H new ATOM 0 HB3 ALA A 210 11.266 4.667 0.600 1.00 12.11 H new ATOM 1489 N ALA A 211 13.480 6.649 3.097 1.00 53.50 N ATOM 1490 CA ALA A 211 14.729 6.307 3.766 1.00 74.23 C ATOM 1491 C ALA A 211 14.529 5.154 4.744 1.00 1.53 C ATOM 1492 O ALA A 211 13.536 5.109 5.472 1.00 42.10 O ATOM 1493 CB ALA A 211 15.292 7.522 4.487 1.00 41.44 C ATOM 0 H ALA A 211 12.873 7.272 3.630 1.00 53.50 H new ATOM 0 HA ALA A 211 15.443 5.986 3.007 1.00 74.23 H new ATOM 0 HB1 ALA A 211 16.225 7.252 4.982 1.00 41.44 H new ATOM 0 HB2 ALA A 211 15.481 8.318 3.766 1.00 41.44 H new ATOM 0 HB3 ALA A 211 14.574 7.869 5.230 1.00 41.44 H new