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 159:sc= 0.174 USER MOD Set 1.2: A 204 HIS : no HD1:sc= -0.163 K(o=1.1,f=-1.6) USER MOD Set 1.3: A 207 HIS : no HE2:sc= 1.11 K(o=1.1,f=-8.2!) USER MOD Set 2.1: A 175 CYS SG : rot 155:sc= 0.179 USER MOD Set 2.2: A 178 HIS : no HD1:sc= -1.53 K(o=-0.58,f=0.16) USER MOD Set 2.3: A 195 CYS SG : rot 180:sc= 0.269 USER MOD Set 2.4: A 198 CYS SG : rot 84:sc= 0.499 USER MOD Set 3.1: A 134 CYS SG : rot 51:sc= 0.689 USER MOD Set 3.2: A 137 CYS SG : rot 180:sc= 0 USER MOD Set 3.3: A 149 THR OG1 : rot 84:sc= 0.795 USER MOD Set 3.4: A 150 HIS : no HD1:sc= -0.313 K(o=0.55,f=-3.5) USER MOD Set 3.5: A 159 HIS : no HD1:sc= -0.626 K(o=0.55,f=-5.3) USER MOD Set 4.1: A 133 THR OG1 : rot 90:sc= -0.0317 USER MOD Set 4.2: A 140 SER OG : rot 103:sc= 1.78 USER MOD Set 5.1: A 119 CYS SG : rot -155:sc= 0.0769 USER MOD Set 5.2: A 122 CYS SG : rot 35:sc= 0.382 USER MOD Set 5.3: A 124 GLN : amide:sc= -0.41 X(o=1.2,f=1.1) USER MOD Set 5.4: A 128 GLN : amide:sc= -0.0176 K(o=1.2,f=-0.094) USER MOD Set 5.5: A 142 CYS SG : rot -133:sc= 0.145 USER MOD Set 5.6: A 145 CYS SG : rot -149:sc= 1.04 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) USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 136 THR OG1 : rot 180:sc= -0.445 USER MOD Single : A 141 TYR OH : rot 180:sc= 0 USER MOD Single : A 147 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 174 MET CE :methyl -167:sc= -0.0347 (180deg=-0.274) USER MOD Single : A 182 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 184 ASN : amide:sc= -0.0505 K(o=-0.05,f=-1.6!) USER MOD Single : A 185 MET CE :methyl -158:sc=-0.00817 (180deg=-0.13) USER MOD Single : A 186 TYR OH : rot -26:sc= 0.184 USER MOD Single : A 189 THR OG1 : rot 180:sc= 0 USER MOD Single : A 192 GLN : amide:sc= -0.165 X(o=-0.17,f=-0.1) 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 2.840 1.091 -5.233 1.00 54.41 N ATOM 27 CA LYS A 116 3.522 1.290 -6.506 1.00 73.25 C ATOM 28 C LYS A 116 2.663 2.114 -7.461 1.00 4.23 C ATOM 29 O LYS A 116 1.448 1.933 -7.532 1.00 13.42 O ATOM 30 CB LYS A 116 3.859 -0.060 -7.144 1.00 32.12 C ATOM 31 CG LYS A 116 5.117 -0.700 -6.583 1.00 34.44 C ATOM 32 CD LYS A 116 5.202 -2.174 -6.945 1.00 52.52 C ATOM 33 CE LYS A 116 5.790 -2.994 -5.808 1.00 21.32 C ATOM 34 NZ LYS A 116 5.619 -4.456 -6.033 1.00 22.51 N ATOM 0 HA LYS A 116 4.446 1.835 -6.313 1.00 73.25 H new ATOM 0 HB2 LYS A 116 3.020 -0.740 -7.000 1.00 32.12 H new ATOM 0 HB3 LYS A 116 3.978 0.075 -8.219 1.00 32.12 H new ATOM 0 HG2 LYS A 116 5.994 -0.179 -6.967 1.00 34.44 H new ATOM 0 HG3 LYS A 116 5.130 -0.589 -5.499 1.00 34.44 H new ATOM 0 HD2 LYS A 116 4.207 -2.548 -7.188 1.00 52.52 H new ATOM 0 HD3 LYS A 116 5.815 -2.296 -7.838 1.00 52.52 H new ATOM 0 HE2 LYS A 116 6.850 -2.764 -5.705 1.00 21.32 H new ATOM 0 HE3 LYS A 116 5.310 -2.712 -4.871 1.00 21.32 H new ATOM 0 HZ1 LYS A 116 6.033 -4.981 -5.236 1.00 22.51 H new ATOM 0 HZ2 LYS A 116 4.606 -4.680 -6.106 1.00 22.51 H new ATOM 0 HZ3 LYS A 116 6.099 -4.730 -6.914 1.00 22.51 H new ATOM 48 N VAL A 117 3.304 3.019 -8.194 1.00 40.11 N ATOM 49 CA VAL A 117 2.600 3.869 -9.146 1.00 55.32 C ATOM 50 C VAL A 117 2.202 3.087 -10.392 1.00 73.55 C ATOM 51 O VAL A 117 3.013 2.361 -10.969 1.00 4.21 O ATOM 52 CB VAL A 117 3.460 5.076 -9.564 1.00 51.44 C ATOM 53 CG1 VAL A 117 4.718 4.612 -10.282 1.00 4.42 C ATOM 54 CG2 VAL A 117 2.656 6.025 -10.440 1.00 50.25 C ATOM 0 H VAL A 117 4.310 3.182 -8.146 1.00 40.11 H new ATOM 0 HA VAL A 117 1.702 4.229 -8.644 1.00 55.32 H new ATOM 0 HB VAL A 117 3.761 5.614 -8.665 1.00 51.44 H new ATOM 0 HG11 VAL A 117 5.313 5.479 -10.570 1.00 4.42 H new ATOM 0 HG12 VAL A 117 5.302 3.975 -9.618 1.00 4.42 H new ATOM 0 HG13 VAL A 117 4.441 4.049 -11.174 1.00 4.42 H new ATOM 0 HG21 VAL A 117 3.279 6.872 -10.726 1.00 50.25 H new ATOM 0 HG22 VAL A 117 2.324 5.500 -11.336 1.00 50.25 H new ATOM 0 HG23 VAL A 117 1.788 6.384 -9.887 1.00 50.25 H new ATOM 64 N LEU A 118 0.948 3.238 -10.804 1.00 51.02 N ATOM 65 CA LEU A 118 0.441 2.546 -11.984 1.00 20.50 C ATOM 66 C LEU A 118 0.855 3.270 -13.261 1.00 1.34 C ATOM 67 O LEU A 118 0.919 4.499 -13.262 1.00 25.42 O ATOM 68 CB LEU A 118 -1.083 2.434 -11.919 1.00 12.14 C ATOM 69 CG LEU A 118 -1.647 1.603 -10.765 1.00 44.13 C ATOM 70 CD1 LEU A 118 -2.805 2.330 -10.100 1.00 22.03 C ATOM 71 CD2 LEU A 118 -2.088 0.234 -11.261 1.00 30.43 C ATOM 0 H LEU A 118 0.263 3.834 -10.338 1.00 51.02 H new ATOM 0 HA LEU A 118 0.872 1.545 -12.000 1.00 20.50 H new ATOM 0 HB2 LEU A 118 -1.499 3.439 -11.853 1.00 12.14 H new ATOM 0 HB3 LEU A 118 -1.436 2.004 -12.856 1.00 12.14 H new ATOM 0 HG LEU A 118 -0.860 1.463 -10.024 1.00 44.13 H new ATOM 0 HD11 LEU A 118 -3.193 1.724 -9.282 1.00 22.03 H new ATOM 0 HD12 LEU A 118 -2.458 3.287 -9.710 1.00 22.03 H new ATOM 0 HD13 LEU A 118 -3.595 2.501 -10.831 1.00 22.03 H new ATOM 0 HD21 LEU A 118 -2.487 -0.344 -10.427 1.00 30.43 H new ATOM 0 HD22 LEU A 118 -2.860 0.354 -12.021 1.00 30.43 H new ATOM 0 HD23 LEU A 118 -1.234 -0.290 -11.690 1.00 30.43 H new ATOM 83 N CYS A 119 1.122 2.504 -14.308 1.00 33.20 N ATOM 84 CA CYS A 119 1.524 3.085 -15.578 1.00 34.14 C ATOM 85 C CYS A 119 0.464 4.106 -15.996 1.00 13.04 C ATOM 86 O CYS A 119 -0.639 3.763 -16.421 1.00 41.34 O ATOM 87 CB CYS A 119 1.737 2.013 -16.648 1.00 73.32 C ATOM 88 SG CYS A 119 2.496 2.758 -18.137 1.00 72.45 S ATOM 0 H CYS A 119 1.068 1.485 -14.303 1.00 33.20 H new ATOM 0 HA CYS A 119 2.485 3.587 -15.464 1.00 34.14 H new ATOM 0 HB2 CYS A 119 2.379 1.222 -16.260 1.00 73.32 H new ATOM 0 HB3 CYS A 119 0.784 1.552 -16.907 1.00 73.32 H new ATOM 0 HG CYS A 119 2.210 2.034 -19.178 1.00 72.45 H new ATOM 93 N GLN A 120 0.826 5.378 -15.863 1.00 61.11 N ATOM 94 CA GLN A 120 -0.074 6.469 -16.219 1.00 24.05 C ATOM 95 C GLN A 120 -0.362 6.470 -17.716 1.00 55.40 C ATOM 96 O GLN A 120 -1.376 7.009 -18.163 1.00 24.23 O ATOM 97 CB GLN A 120 0.530 7.812 -15.802 1.00 74.42 C ATOM 98 CG GLN A 120 -0.409 8.668 -14.967 1.00 71.44 C ATOM 99 CD GLN A 120 -0.696 10.012 -15.606 1.00 51.21 C ATOM 100 OE1 GLN A 120 -1.650 10.158 -16.371 1.00 10.10 O ATOM 101 NE2 GLN A 120 0.130 11.004 -15.295 1.00 11.22 N ATOM 0 H GLN A 120 1.735 5.678 -15.512 1.00 61.11 H new ATOM 0 HA GLN A 120 -1.014 6.320 -15.687 1.00 24.05 H new ATOM 0 HB2 GLN A 120 1.443 7.630 -15.235 1.00 74.42 H new ATOM 0 HB3 GLN A 120 0.815 8.366 -16.696 1.00 74.42 H new ATOM 0 HG2 GLN A 120 -1.347 8.133 -14.818 1.00 71.44 H new ATOM 0 HG3 GLN A 120 0.028 8.825 -13.981 1.00 71.44 H new ATOM 0 HE21 GLN A 120 0.908 10.839 -14.657 1.00 11.22 H new ATOM 0 HE22 GLN A 120 -0.014 11.931 -15.695 1.00 11.22 H new ATOM 110 N PHE A 121 0.534 5.865 -18.487 1.00 64.22 N ATOM 111 CA PHE A 121 0.376 5.797 -19.935 1.00 45.43 C ATOM 112 C PHE A 121 -0.104 4.415 -20.366 1.00 75.22 C ATOM 113 O PHE A 121 0.357 3.907 -21.387 1.00 40.01 O ATOM 114 CB PHE A 121 1.699 6.129 -20.630 1.00 11.12 C ATOM 115 CG PHE A 121 1.534 6.970 -21.864 1.00 33.35 C ATOM 116 CD1 PHE A 121 1.074 8.274 -21.773 1.00 60.40 C ATOM 117 CD2 PHE A 121 1.838 6.456 -23.114 1.00 34.31 C ATOM 118 CE1 PHE A 121 0.921 9.050 -22.906 1.00 42.13 C ATOM 119 CE2 PHE A 121 1.687 7.227 -24.250 1.00 42.55 C ATOM 120 CZ PHE A 121 1.227 8.526 -24.147 1.00 23.32 C ATOM 0 H PHE A 121 1.378 5.414 -18.133 1.00 64.22 H new ATOM 0 HA PHE A 121 -0.375 6.531 -20.228 1.00 45.43 H new ATOM 0 HB2 PHE A 121 2.348 6.652 -19.928 1.00 11.12 H new ATOM 0 HB3 PHE A 121 2.203 5.200 -20.898 1.00 11.12 H new ATOM 0 HD1 PHE A 121 0.832 8.689 -20.805 1.00 60.40 H new ATOM 0 HD2 PHE A 121 2.197 5.441 -23.201 1.00 34.31 H new ATOM 0 HE1 PHE A 121 0.563 10.065 -22.821 1.00 42.13 H new ATOM 0 HE2 PHE A 121 1.928 6.815 -25.219 1.00 42.55 H new ATOM 0 HZ PHE A 121 1.107 9.130 -25.034 1.00 23.32 H new ATOM 130 N CYS A 122 -1.011 3.843 -19.587 1.00 62.21 N ATOM 131 CA CYS A 122 -1.541 2.526 -19.898 1.00 52.41 C ATOM 132 C CYS A 122 -3.034 2.669 -20.202 1.00 1.33 C ATOM 133 O CYS A 122 -3.761 3.427 -19.559 1.00 41.21 O ATOM 134 CB CYS A 122 -1.282 1.530 -18.766 1.00 41.11 C ATOM 135 SG CYS A 122 -0.146 0.214 -19.338 1.00 52.34 S ATOM 0 H CYS A 122 -1.392 4.267 -18.741 1.00 62.21 H new ATOM 0 HA CYS A 122 -1.030 2.123 -20.772 1.00 52.41 H new ATOM 0 HB2 CYS A 122 -0.851 2.046 -17.908 1.00 41.11 H new ATOM 0 HB3 CYS A 122 -2.223 1.091 -18.434 1.00 41.11 H new ATOM 0 HG CYS A 122 0.718 0.717 -20.169 1.00 52.34 H new ATOM 140 N ASP A 123 -3.478 1.918 -21.203 1.00 44.14 N ATOM 141 CA ASP A 123 -4.877 1.940 -21.614 1.00 44.35 C ATOM 142 C ASP A 123 -5.434 0.524 -21.722 1.00 41.42 C ATOM 143 O ASP A 123 -6.105 0.185 -22.696 1.00 72.50 O ATOM 144 CB ASP A 123 -5.025 2.664 -22.954 1.00 33.41 C ATOM 145 CG ASP A 123 -6.365 3.360 -23.090 1.00 70.02 C ATOM 146 OD1 ASP A 123 -6.536 4.442 -22.490 1.00 24.23 O ATOM 147 OD2 ASP A 123 -7.243 2.824 -23.798 1.00 63.41 O ATOM 0 H ASP A 123 -2.889 1.286 -21.745 1.00 44.14 H new ATOM 0 HA ASP A 123 -5.445 2.477 -20.855 1.00 44.35 H new ATOM 0 HB2 ASP A 123 -4.225 3.398 -23.058 1.00 33.41 H new ATOM 0 HB3 ASP A 123 -4.907 1.947 -23.766 1.00 33.41 H new ATOM 152 N GLN A 124 -5.150 -0.296 -20.716 1.00 64.20 N ATOM 153 CA GLN A 124 -5.621 -1.676 -20.699 1.00 53.24 C ATOM 154 C GLN A 124 -6.981 -1.778 -20.017 1.00 12.03 C ATOM 155 O GLN A 124 -7.915 -2.372 -20.557 1.00 2.42 O ATOM 156 CB GLN A 124 -4.610 -2.574 -19.985 1.00 70.22 C ATOM 157 CG GLN A 124 -3.510 -3.096 -20.896 1.00 33.22 C ATOM 158 CD GLN A 124 -2.286 -3.554 -20.129 1.00 5.34 C ATOM 159 OE1 GLN A 124 -2.387 -4.341 -19.187 1.00 3.42 O ATOM 160 NE2 GLN A 124 -1.118 -3.062 -20.528 1.00 75.23 N ATOM 0 H GLN A 124 -4.596 -0.029 -19.902 1.00 64.20 H new ATOM 0 HA GLN A 124 -5.726 -2.010 -21.731 1.00 53.24 H new ATOM 0 HB2 GLN A 124 -4.157 -2.017 -19.165 1.00 70.22 H new ATOM 0 HB3 GLN A 124 -5.136 -3.420 -19.543 1.00 70.22 H new ATOM 0 HG2 GLN A 124 -3.896 -3.927 -21.486 1.00 33.22 H new ATOM 0 HG3 GLN A 124 -3.222 -2.313 -21.598 1.00 33.22 H new ATOM 0 HE21 GLN A 124 -1.080 -2.412 -21.313 1.00 75.23 H new ATOM 0 HE22 GLN A 124 -0.260 -3.334 -20.049 1.00 75.23 H new ATOM 169 N ASP A 125 -7.085 -1.196 -18.827 1.00 75.11 N ATOM 170 CA ASP A 125 -8.332 -1.221 -18.070 1.00 61.03 C ATOM 171 C ASP A 125 -8.728 -2.653 -17.722 1.00 42.43 C ATOM 172 O ASP A 125 -9.478 -3.309 -18.446 1.00 3.54 O ATOM 173 CB ASP A 125 -9.451 -0.549 -18.867 1.00 42.34 C ATOM 174 CG ASP A 125 -10.517 0.053 -17.974 1.00 11.35 C ATOM 175 OD1 ASP A 125 -11.437 -0.687 -17.566 1.00 44.24 O ATOM 176 OD2 ASP A 125 -10.433 1.265 -17.682 1.00 24.12 O ATOM 0 H ASP A 125 -6.321 -0.701 -18.366 1.00 75.11 H new ATOM 0 HA ASP A 125 -8.176 -0.670 -17.142 1.00 61.03 H new ATOM 0 HB2 ASP A 125 -9.026 0.232 -19.497 1.00 42.34 H new ATOM 0 HB3 ASP A 125 -9.909 -1.281 -19.532 1.00 42.34 H new ATOM 181 N PRO A 126 -8.212 -3.151 -16.589 1.00 0.53 N ATOM 182 CA PRO A 126 -7.318 -2.379 -15.720 1.00 62.31 C ATOM 183 C PRO A 126 -5.951 -2.147 -16.355 1.00 51.32 C ATOM 184 O PRO A 126 -5.551 -2.865 -17.271 1.00 33.44 O ATOM 185 CB PRO A 126 -7.186 -3.260 -14.475 1.00 61.01 C ATOM 186 CG PRO A 126 -7.455 -4.643 -14.959 1.00 51.02 C ATOM 187 CD PRO A 126 -8.462 -4.505 -16.068 1.00 24.11 C ATOM 0 HA PRO A 126 -7.709 -1.383 -15.515 1.00 62.31 H new ATOM 0 HB2 PRO A 126 -6.191 -3.180 -14.037 1.00 61.01 H new ATOM 0 HB3 PRO A 126 -7.898 -2.965 -13.704 1.00 61.01 H new ATOM 0 HG2 PRO A 126 -6.541 -5.115 -15.318 1.00 51.02 H new ATOM 0 HG3 PRO A 126 -7.843 -5.269 -14.155 1.00 51.02 H new ATOM 0 HD2 PRO A 126 -8.319 -5.264 -16.837 1.00 24.11 H new ATOM 0 HD3 PRO A 126 -9.482 -4.612 -15.700 1.00 24.11 H new ATOM 195 N ALA A 127 -5.239 -1.138 -15.863 1.00 61.31 N ATOM 196 CA ALA A 127 -3.916 -0.813 -16.381 1.00 61.12 C ATOM 197 C ALA A 127 -2.827 -1.546 -15.605 1.00 60.54 C ATOM 198 O ALA A 127 -3.083 -2.109 -14.541 1.00 71.45 O ATOM 199 CB ALA A 127 -3.683 0.690 -16.329 1.00 32.44 C ATOM 0 H ALA A 127 -5.556 -0.532 -15.107 1.00 61.31 H new ATOM 0 HA ALA A 127 -3.869 -1.141 -17.419 1.00 61.12 H new ATOM 0 HB1 ALA A 127 -2.691 0.918 -16.719 1.00 32.44 H new ATOM 0 HB2 ALA A 127 -4.436 1.196 -16.934 1.00 32.44 H new ATOM 0 HB3 ALA A 127 -3.755 1.034 -15.297 1.00 32.44 H new ATOM 205 N GLN A 128 -1.613 -1.536 -16.146 1.00 3.13 N ATOM 206 CA GLN A 128 -0.486 -2.202 -15.504 1.00 4.14 C ATOM 207 C GLN A 128 0.315 -1.220 -14.655 1.00 22.12 C ATOM 208 O GLN A 128 -0.018 -0.038 -14.575 1.00 52.41 O ATOM 209 CB GLN A 128 0.421 -2.843 -16.555 1.00 65.22 C ATOM 210 CG GLN A 128 0.333 -4.360 -16.591 1.00 24.41 C ATOM 211 CD GLN A 128 1.435 -4.990 -17.421 1.00 54.43 C ATOM 212 OE1 GLN A 128 2.360 -4.309 -17.864 1.00 51.45 O ATOM 213 NE2 GLN A 128 1.341 -6.297 -17.637 1.00 12.53 N ATOM 0 H GLN A 128 -1.385 -1.074 -17.027 1.00 3.13 H new ATOM 0 HA GLN A 128 -0.881 -2.981 -14.851 1.00 4.14 H new ATOM 0 HB2 GLN A 128 0.160 -2.449 -17.537 1.00 65.22 H new ATOM 0 HB3 GLN A 128 1.453 -2.552 -16.359 1.00 65.22 H new ATOM 0 HG2 GLN A 128 0.384 -4.747 -15.573 1.00 24.41 H new ATOM 0 HG3 GLN A 128 -0.635 -4.654 -16.996 1.00 24.41 H new ATOM 0 HE21 GLN A 128 0.557 -6.823 -17.251 1.00 12.53 H new ATOM 0 HE22 GLN A 128 2.053 -6.775 -18.189 1.00 12.53 H new ATOM 222 N ASP A 129 1.372 -1.718 -14.022 1.00 41.23 N ATOM 223 CA ASP A 129 2.221 -0.884 -13.179 1.00 64.25 C ATOM 224 C ASP A 129 3.533 -0.557 -13.885 1.00 44.44 C ATOM 225 O ASP A 129 4.035 -1.348 -14.683 1.00 22.45 O ATOM 226 CB ASP A 129 2.504 -1.587 -11.851 1.00 3.44 C ATOM 227 CG ASP A 129 3.207 -2.917 -12.037 1.00 75.22 C ATOM 228 OD1 ASP A 129 2.600 -3.828 -12.638 1.00 63.35 O ATOM 229 OD2 ASP A 129 4.362 -3.048 -11.581 1.00 51.11 O ATOM 0 H ASP A 129 1.661 -2.695 -14.077 1.00 41.23 H new ATOM 0 HA ASP A 129 1.692 0.049 -12.982 1.00 64.25 H new ATOM 0 HB2 ASP A 129 3.118 -0.940 -11.224 1.00 3.44 H new ATOM 0 HB3 ASP A 129 1.565 -1.747 -11.321 1.00 3.44 H new ATOM 234 N ALA A 130 4.083 0.616 -13.587 1.00 40.23 N ATOM 235 CA ALA A 130 5.337 1.048 -14.192 1.00 52.15 C ATOM 236 C ALA A 130 6.526 0.682 -13.311 1.00 43.42 C ATOM 237 O ALA A 130 6.620 1.120 -12.164 1.00 50.04 O ATOM 238 CB ALA A 130 5.310 2.547 -14.450 1.00 55.42 C ATOM 0 H ALA A 130 3.680 1.284 -12.930 1.00 40.23 H new ATOM 0 HA ALA A 130 5.450 0.529 -15.144 1.00 52.15 H new ATOM 0 HB1 ALA A 130 6.253 2.855 -14.902 1.00 55.42 H new ATOM 0 HB2 ALA A 130 4.489 2.785 -15.126 1.00 55.42 H new ATOM 0 HB3 ALA A 130 5.169 3.076 -13.507 1.00 55.42 H new ATOM 244 N VAL A 131 7.434 -0.123 -13.854 1.00 74.41 N ATOM 245 CA VAL A 131 8.618 -0.548 -13.117 1.00 52.20 C ATOM 246 C VAL A 131 9.879 0.089 -13.690 1.00 21.12 C ATOM 247 O VAL A 131 10.926 0.112 -13.042 1.00 71.31 O ATOM 248 CB VAL A 131 8.774 -2.080 -13.140 1.00 13.05 C ATOM 249 CG1 VAL A 131 7.719 -2.737 -12.262 1.00 61.13 C ATOM 250 CG2 VAL A 131 8.694 -2.602 -14.566 1.00 34.30 C ATOM 0 H VAL A 131 7.372 -0.494 -14.802 1.00 74.41 H new ATOM 0 HA VAL A 131 8.484 -0.220 -12.086 1.00 52.20 H new ATOM 0 HB VAL A 131 9.755 -2.334 -12.739 1.00 13.05 H new ATOM 0 HG11 VAL A 131 7.845 -3.819 -12.290 1.00 61.13 H new ATOM 0 HG12 VAL A 131 7.829 -2.386 -11.236 1.00 61.13 H new ATOM 0 HG13 VAL A 131 6.726 -2.477 -12.630 1.00 61.13 H new ATOM 0 HG21 VAL A 131 8.806 -3.686 -14.563 1.00 34.30 H new ATOM 0 HG22 VAL A 131 7.728 -2.338 -14.996 1.00 34.30 H new ATOM 0 HG23 VAL A 131 9.490 -2.156 -15.162 1.00 34.30 H new ATOM 260 N LYS A 132 9.773 0.606 -14.909 1.00 14.41 N ATOM 261 CA LYS A 132 10.904 1.246 -15.571 1.00 15.25 C ATOM 262 C LYS A 132 10.636 2.732 -15.790 1.00 62.20 C ATOM 263 O LYS A 132 9.498 3.191 -15.685 1.00 4.21 O ATOM 264 CB LYS A 132 11.189 0.565 -16.911 1.00 33.01 C ATOM 265 CG LYS A 132 12.363 -0.398 -16.866 1.00 53.33 C ATOM 266 CD LYS A 132 12.785 -0.827 -18.261 1.00 71.33 C ATOM 267 CE LYS A 132 14.199 -1.388 -18.268 1.00 10.51 C ATOM 268 NZ LYS A 132 14.680 -1.662 -19.650 1.00 63.21 N ATOM 0 H LYS A 132 8.914 0.594 -15.459 1.00 14.41 H new ATOM 0 HA LYS A 132 11.777 1.143 -14.926 1.00 15.25 H new ATOM 0 HB2 LYS A 132 10.298 0.024 -17.231 1.00 33.01 H new ATOM 0 HB3 LYS A 132 11.385 1.329 -17.663 1.00 33.01 H new ATOM 0 HG2 LYS A 132 13.204 0.076 -16.360 1.00 53.33 H new ATOM 0 HG3 LYS A 132 12.092 -1.277 -16.280 1.00 53.33 H new ATOM 0 HD2 LYS A 132 12.092 -1.580 -18.636 1.00 71.33 H new ATOM 0 HD3 LYS A 132 12.727 0.025 -18.938 1.00 71.33 H new ATOM 0 HE2 LYS A 132 14.872 -0.682 -17.782 1.00 10.51 H new ATOM 0 HE3 LYS A 132 14.228 -2.308 -17.684 1.00 10.51 H new ATOM 0 HZ1 LYS A 132 15.647 -2.043 -19.612 1.00 63.21 H new ATOM 0 HZ2 LYS A 132 14.052 -2.355 -20.105 1.00 63.21 H new ATOM 0 HZ3 LYS A 132 14.677 -0.779 -20.200 1.00 63.21 H new ATOM 282 N THR A 133 11.692 3.480 -16.097 1.00 73.51 N ATOM 283 CA THR A 133 11.571 4.913 -16.332 1.00 32.21 C ATOM 284 C THR A 133 12.671 5.412 -17.261 1.00 51.44 C ATOM 285 O THR A 133 13.841 5.119 -17.021 1.00 70.10 O ATOM 286 CB THR A 133 11.630 5.705 -15.012 1.00 42.23 C ATOM 287 OG1 THR A 133 10.727 5.136 -14.058 1.00 0.00 O ATOM 288 CG2 THR A 133 11.278 7.167 -15.243 1.00 32.04 C ATOM 0 H THR A 133 12.641 3.116 -16.189 1.00 73.51 H new ATOM 0 HA THR A 133 10.601 5.076 -16.802 1.00 32.21 H new ATOM 0 HB THR A 133 12.648 5.649 -14.625 1.00 42.23 H new ATOM 0 HG1 THR A 133 11.192 4.449 -13.537 1.00 0.00 H new ATOM 0 HG21 THR A 133 11.326 7.707 -14.297 1.00 32.04 H new ATOM 0 HG22 THR A 133 11.986 7.605 -15.947 1.00 32.04 H new ATOM 0 HG23 THR A 133 10.270 7.238 -15.651 1.00 32.04 H new ATOM 296 N CYS A 134 12.278 6.148 -18.291 1.00 10.43 N ATOM 297 CA CYS A 134 13.240 6.679 -19.242 1.00 12.03 C ATOM 298 C CYS A 134 13.488 8.151 -18.904 1.00 74.40 C ATOM 299 O CYS A 134 12.564 8.947 -18.735 1.00 73.53 O ATOM 300 CB CYS A 134 12.768 6.497 -20.686 1.00 35.55 C ATOM 301 SG CYS A 134 13.912 7.350 -21.831 1.00 35.11 S ATOM 0 H CYS A 134 11.307 6.389 -18.487 1.00 10.43 H new ATOM 0 HA CYS A 134 14.176 6.126 -19.163 1.00 12.03 H new ATOM 0 HB2 CYS A 134 12.720 5.436 -20.930 1.00 35.55 H new ATOM 0 HB3 CYS A 134 11.760 6.897 -20.801 1.00 35.55 H new ATOM 0 HG CYS A 134 15.135 6.995 -21.567 1.00 35.11 H new ATOM 306 N VAL A 135 14.767 8.497 -18.808 1.00 43.24 N ATOM 307 CA VAL A 135 15.168 9.863 -18.494 1.00 12.42 C ATOM 308 C VAL A 135 14.898 10.799 -19.667 1.00 11.13 C ATOM 309 O VAL A 135 14.292 11.859 -19.504 1.00 5.21 O ATOM 310 CB VAL A 135 16.661 9.939 -18.124 1.00 1.52 C ATOM 311 CG1 VAL A 135 16.999 11.305 -17.545 1.00 41.04 C ATOM 312 CG2 VAL A 135 17.024 8.832 -17.146 1.00 2.32 C ATOM 0 H VAL A 135 15.544 7.850 -18.943 1.00 43.24 H new ATOM 0 HA VAL A 135 14.573 10.178 -17.637 1.00 12.42 H new ATOM 0 HB VAL A 135 17.250 9.799 -19.031 1.00 1.52 H new ATOM 0 HG11 VAL A 135 18.058 11.340 -17.289 1.00 41.04 H new ATOM 0 HG12 VAL A 135 16.778 12.077 -18.282 1.00 41.04 H new ATOM 0 HG13 VAL A 135 16.404 11.478 -16.648 1.00 41.04 H new ATOM 0 HG21 VAL A 135 18.083 8.901 -16.895 1.00 2.32 H new ATOM 0 HG22 VAL A 135 16.429 8.938 -16.239 1.00 2.32 H new ATOM 0 HG23 VAL A 135 16.821 7.863 -17.602 1.00 2.32 H new ATOM 322 N THR A 136 15.351 10.400 -20.851 1.00 53.24 N ATOM 323 CA THR A 136 15.159 11.203 -22.053 1.00 20.23 C ATOM 324 C THR A 136 13.679 11.454 -22.316 1.00 14.25 C ATOM 325 O THR A 136 13.347 12.396 -23.034 1.00 75.30 O ATOM 326 CB THR A 136 15.780 10.523 -23.288 1.00 32.14 C ATOM 327 OG1 THR A 136 17.156 10.214 -23.037 1.00 55.42 O ATOM 328 CG2 THR A 136 15.671 11.420 -24.511 1.00 74.13 C ATOM 0 H THR A 136 15.853 9.526 -21.004 1.00 53.24 H new ATOM 0 HA THR A 136 15.661 12.155 -21.880 1.00 20.23 H new ATOM 0 HB THR A 136 15.231 9.602 -23.483 1.00 32.14 H new ATOM 0 HG1 THR A 136 17.543 9.780 -23.826 1.00 55.42 H new ATOM 0 HG21 THR A 136 16.116 10.919 -25.371 1.00 74.13 H new ATOM 0 HG22 THR A 136 14.621 11.629 -24.716 1.00 74.13 H new ATOM 0 HG23 THR A 136 16.198 12.356 -24.324 1.00 74.13 H new ATOM 336 N CYS A 137 12.831 10.618 -21.735 1.00 32.21 N ATOM 337 CA CYS A 137 11.396 10.762 -21.914 1.00 62.15 C ATOM 338 C CYS A 137 10.849 11.599 -20.757 1.00 12.22 C ATOM 339 O CYS A 137 9.818 12.262 -20.863 1.00 51.50 O ATOM 340 CB CYS A 137 10.699 9.403 -22.016 1.00 5.53 C ATOM 341 SG CYS A 137 10.886 8.729 -23.707 1.00 14.13 S ATOM 0 H CYS A 137 13.110 9.838 -21.140 1.00 32.21 H new ATOM 0 HA CYS A 137 11.194 11.271 -22.856 1.00 62.15 H new ATOM 0 HB2 CYS A 137 11.126 8.711 -21.290 1.00 5.53 H new ATOM 0 HB3 CYS A 137 9.642 9.508 -21.772 1.00 5.53 H new ATOM 0 HG CYS A 137 10.293 7.575 -23.782 1.00 14.13 H new ATOM 346 N GLU A 138 11.569 11.553 -19.640 1.00 74.52 N ATOM 347 CA GLU A 138 11.177 12.296 -18.448 1.00 62.42 C ATOM 348 C GLU A 138 9.851 11.780 -17.897 1.00 11.22 C ATOM 349 O GLU A 138 9.072 12.535 -17.314 1.00 45.32 O ATOM 350 CB GLU A 138 11.065 13.788 -18.765 1.00 12.42 C ATOM 351 CG GLU A 138 11.630 14.686 -17.676 1.00 74.34 C ATOM 352 CD GLU A 138 11.543 16.158 -18.030 1.00 61.45 C ATOM 353 OE1 GLU A 138 10.421 16.705 -18.023 1.00 40.20 O ATOM 354 OE2 GLU A 138 12.599 16.762 -18.315 1.00 34.32 O ATOM 0 H GLU A 138 12.426 11.010 -19.536 1.00 74.52 H new ATOM 0 HA GLU A 138 11.946 12.150 -17.690 1.00 62.42 H new ATOM 0 HB2 GLU A 138 11.587 13.992 -19.700 1.00 12.42 H new ATOM 0 HB3 GLU A 138 10.016 14.039 -18.924 1.00 12.42 H new ATOM 0 HG2 GLU A 138 11.090 14.507 -16.746 1.00 74.34 H new ATOM 0 HG3 GLU A 138 12.672 14.421 -17.495 1.00 74.34 H new ATOM 361 N VAL A 139 9.600 10.489 -18.086 1.00 22.52 N ATOM 362 CA VAL A 139 8.369 9.871 -17.608 1.00 21.24 C ATOM 363 C VAL A 139 8.588 8.400 -17.269 1.00 55.51 C ATOM 364 O VAL A 139 9.436 7.735 -17.863 1.00 41.53 O ATOM 365 CB VAL A 139 7.242 9.984 -18.651 1.00 41.04 C ATOM 366 CG1 VAL A 139 5.937 9.442 -18.089 1.00 12.31 C ATOM 367 CG2 VAL A 139 7.079 11.427 -19.104 1.00 50.12 C ATOM 0 H VAL A 139 10.233 9.850 -18.567 1.00 22.52 H new ATOM 0 HA VAL A 139 8.074 10.409 -16.707 1.00 21.24 H new ATOM 0 HB VAL A 139 7.512 9.383 -19.519 1.00 41.04 H new ATOM 0 HG11 VAL A 139 5.153 9.530 -18.841 1.00 12.31 H new ATOM 0 HG12 VAL A 139 6.065 8.394 -17.819 1.00 12.31 H new ATOM 0 HG13 VAL A 139 5.657 10.013 -17.204 1.00 12.31 H new ATOM 0 HG21 VAL A 139 6.278 11.489 -19.841 1.00 50.12 H new ATOM 0 HG22 VAL A 139 6.831 12.052 -18.246 1.00 50.12 H new ATOM 0 HG23 VAL A 139 8.010 11.776 -19.550 1.00 50.12 H new ATOM 377 N SER A 140 7.816 7.899 -16.311 1.00 35.55 N ATOM 378 CA SER A 140 7.927 6.507 -15.890 1.00 34.31 C ATOM 379 C SER A 140 6.830 5.658 -16.526 1.00 62.22 C ATOM 380 O SER A 140 5.641 5.919 -16.341 1.00 22.53 O ATOM 381 CB SER A 140 7.846 6.405 -14.366 1.00 24.45 C ATOM 382 OG SER A 140 8.133 5.088 -13.927 1.00 32.11 O ATOM 0 H SER A 140 7.107 8.436 -15.811 1.00 35.55 H new ATOM 0 HA SER A 140 8.894 6.129 -16.222 1.00 34.31 H new ATOM 0 HB2 SER A 140 8.550 7.104 -13.914 1.00 24.45 H new ATOM 0 HB3 SER A 140 6.850 6.694 -14.031 1.00 24.45 H new ATOM 0 HG SER A 140 9.047 5.052 -13.575 1.00 32.11 H new ATOM 388 N TYR A 141 7.239 4.641 -17.277 1.00 51.21 N ATOM 389 CA TYR A 141 6.293 3.754 -17.944 1.00 13.53 C ATOM 390 C TYR A 141 6.519 2.304 -17.527 1.00 52.32 C ATOM 391 O TYR A 141 7.435 2.035 -16.752 1.00 20.01 O ATOM 392 CB TYR A 141 6.421 3.886 -19.462 1.00 53.52 C ATOM 393 CG TYR A 141 6.237 5.301 -19.965 1.00 33.42 C ATOM 394 CD1 TYR A 141 5.056 5.995 -19.729 1.00 65.34 C ATOM 395 CD2 TYR A 141 7.244 5.943 -20.674 1.00 61.03 C ATOM 396 CE1 TYR A 141 4.884 7.286 -20.187 1.00 50.55 C ATOM 397 CE2 TYR A 141 7.081 7.235 -21.135 1.00 10.22 C ATOM 398 CZ TYR A 141 5.899 7.902 -20.889 1.00 40.54 C ATOM 399 OH TYR A 141 5.732 9.190 -21.346 1.00 73.31 O ATOM 0 H TYR A 141 8.219 4.411 -17.439 1.00 51.21 H new ATOM 0 HA TYR A 141 5.287 4.046 -17.645 1.00 13.53 H new ATOM 0 HB2 TYR A 141 7.403 3.525 -19.768 1.00 53.52 H new ATOM 0 HB3 TYR A 141 5.682 3.241 -19.938 1.00 53.52 H new ATOM 0 HD1 TYR A 141 4.260 5.516 -19.178 1.00 65.34 H new ATOM 0 HD2 TYR A 141 8.171 5.423 -20.868 1.00 61.03 H new ATOM 0 HE1 TYR A 141 3.960 7.811 -19.997 1.00 50.55 H new ATOM 0 HE2 TYR A 141 7.874 7.720 -21.685 1.00 10.22 H new ATOM 0 HH TYR A 141 6.541 9.476 -21.820 1.00 73.31 H new ATOM 409 N CYS A 142 5.688 1.412 -18.046 1.00 10.11 N ATOM 410 CA CYS A 142 5.808 0.001 -17.722 1.00 34.24 C ATOM 411 C CYS A 142 6.549 -0.694 -18.865 1.00 43.24 C ATOM 412 O CYS A 142 6.866 -0.097 -19.895 1.00 24.43 O ATOM 413 CB CYS A 142 4.442 -0.637 -17.457 1.00 1.54 C ATOM 414 SG CYS A 142 3.535 -0.850 -19.031 1.00 51.15 S ATOM 0 H CYS A 142 4.929 1.639 -18.688 1.00 10.11 H new ATOM 0 HA CYS A 142 6.376 -0.115 -16.799 1.00 34.24 H new ATOM 0 HB2 CYS A 142 4.571 -1.603 -16.969 1.00 1.54 H new ATOM 0 HB3 CYS A 142 3.865 -0.011 -16.777 1.00 1.54 H new ATOM 0 HG CYS A 142 2.315 -0.422 -18.890 1.00 51.15 H new ATOM 419 N ASP A 143 6.821 -1.978 -18.661 1.00 15.04 N ATOM 420 CA ASP A 143 7.522 -2.780 -19.657 1.00 14.32 C ATOM 421 C ASP A 143 6.753 -2.803 -20.974 1.00 41.14 C ATOM 422 O ASP A 143 7.342 -2.689 -22.049 1.00 11.42 O ATOM 423 CB ASP A 143 7.723 -4.207 -19.144 1.00 42.44 C ATOM 424 CG ASP A 143 8.806 -4.947 -19.904 1.00 43.10 C ATOM 425 OD1 ASP A 143 9.680 -4.278 -20.493 1.00 42.34 O ATOM 426 OD2 ASP A 143 8.780 -6.196 -19.910 1.00 13.31 O ATOM 0 H ASP A 143 6.566 -2.486 -17.814 1.00 15.04 H new ATOM 0 HA ASP A 143 8.497 -2.325 -19.834 1.00 14.32 H new ATOM 0 HB2 ASP A 143 7.982 -4.177 -18.086 1.00 42.44 H new ATOM 0 HB3 ASP A 143 6.785 -4.756 -19.227 1.00 42.44 H new ATOM 431 N GLU A 144 5.435 -2.953 -20.883 1.00 4.24 N ATOM 432 CA GLU A 144 4.587 -2.993 -22.068 1.00 44.02 C ATOM 433 C GLU A 144 4.825 -1.769 -22.949 1.00 33.44 C ATOM 434 O GLU A 144 5.323 -1.916 -24.064 1.00 35.52 O ATOM 435 CB GLU A 144 3.113 -3.067 -21.666 1.00 21.13 C ATOM 436 CG GLU A 144 2.367 -4.230 -22.299 1.00 0.44 C ATOM 437 CD GLU A 144 1.063 -3.804 -22.944 1.00 52.43 C ATOM 438 OE1 GLU A 144 1.086 -2.857 -23.758 1.00 43.25 O ATOM 439 OE2 GLU A 144 0.019 -4.416 -22.636 1.00 25.22 O ATOM 0 H GLU A 144 4.932 -3.049 -20.001 1.00 4.24 H new ATOM 0 HA GLU A 144 4.845 -3.885 -22.638 1.00 44.02 H new ATOM 0 HB2 GLU A 144 3.045 -3.150 -20.581 1.00 21.13 H new ATOM 0 HB3 GLU A 144 2.621 -2.135 -21.946 1.00 21.13 H new ATOM 0 HG2 GLU A 144 3.003 -4.699 -23.049 1.00 0.44 H new ATOM 0 HG3 GLU A 144 2.163 -4.983 -21.538 1.00 0.44 H new ATOM 446 N CYS A 145 4.467 -0.602 -22.435 1.00 11.24 N ATOM 447 CA CYS A 145 4.645 0.631 -23.182 1.00 41.24 C ATOM 448 C CYS A 145 6.117 0.739 -23.587 1.00 54.13 C ATOM 449 O CYS A 145 6.460 1.101 -24.714 1.00 15.24 O ATOM 450 CB CYS A 145 4.183 1.850 -22.382 1.00 13.33 C ATOM 451 SG CYS A 145 2.463 1.605 -21.805 1.00 62.04 S ATOM 0 H CYS A 145 4.054 -0.484 -21.510 1.00 11.24 H new ATOM 0 HA CYS A 145 4.023 0.609 -24.077 1.00 41.24 H new ATOM 0 HB2 CYS A 145 4.843 2.007 -21.529 1.00 13.33 H new ATOM 0 HB3 CYS A 145 4.244 2.746 -23.000 1.00 13.33 H new ATOM 0 HG CYS A 145 1.860 2.755 -21.738 1.00 62.04 H new ATOM 456 N LEU A 146 6.986 0.414 -22.637 1.00 13.24 N ATOM 457 CA LEU A 146 8.425 0.465 -22.866 1.00 44.24 C ATOM 458 C LEU A 146 8.810 -0.352 -24.095 1.00 61.24 C ATOM 459 O LEU A 146 9.822 -0.082 -24.743 1.00 13.21 O ATOM 460 CB LEU A 146 9.176 -0.054 -21.639 1.00 23.00 C ATOM 461 CG LEU A 146 10.703 -0.027 -21.725 1.00 32.01 C ATOM 462 CD1 LEU A 146 11.251 1.239 -21.085 1.00 21.11 C ATOM 463 CD2 LEU A 146 11.296 -1.262 -21.062 1.00 41.15 C ATOM 0 H LEU A 146 6.719 0.112 -21.700 1.00 13.24 H new ATOM 0 HA LEU A 146 8.703 1.504 -23.041 1.00 44.24 H new ATOM 0 HB2 LEU A 146 8.870 0.536 -20.775 1.00 23.00 H new ATOM 0 HB3 LEU A 146 8.861 -1.081 -21.452 1.00 23.00 H new ATOM 0 HG LEU A 146 10.989 -0.031 -22.777 1.00 32.01 H new ATOM 0 HD11 LEU A 146 12.339 1.241 -21.156 1.00 21.11 H new ATOM 0 HD12 LEU A 146 10.852 2.111 -21.604 1.00 21.11 H new ATOM 0 HD13 LEU A 146 10.955 1.274 -20.036 1.00 21.11 H new ATOM 0 HD21 LEU A 146 12.383 -1.226 -21.133 1.00 41.15 H new ATOM 0 HD22 LEU A 146 11.001 -1.289 -20.013 1.00 41.15 H new ATOM 0 HD23 LEU A 146 10.929 -2.157 -21.565 1.00 41.15 H new ATOM 475 N LYS A 147 7.995 -1.352 -24.413 1.00 61.40 N ATOM 476 CA LYS A 147 8.247 -2.208 -25.566 1.00 73.24 C ATOM 477 C LYS A 147 7.804 -1.526 -26.857 1.00 32.01 C ATOM 478 O LYS A 147 8.383 -1.750 -27.919 1.00 25.30 O ATOM 479 CB LYS A 147 7.516 -3.543 -25.406 1.00 31.20 C ATOM 480 CG LYS A 147 8.158 -4.684 -26.176 1.00 30.43 C ATOM 481 CD LYS A 147 7.191 -5.841 -26.368 1.00 41.44 C ATOM 482 CE LYS A 147 6.195 -5.555 -27.482 1.00 44.21 C ATOM 483 NZ LYS A 147 4.807 -5.415 -26.962 1.00 71.34 N ATOM 0 H LYS A 147 7.154 -1.590 -23.888 1.00 61.40 H new ATOM 0 HA LYS A 147 9.320 -2.392 -25.622 1.00 73.24 H new ATOM 0 HB2 LYS A 147 7.481 -3.804 -24.348 1.00 31.20 H new ATOM 0 HB3 LYS A 147 6.485 -3.425 -25.740 1.00 31.20 H new ATOM 0 HG2 LYS A 147 8.494 -4.324 -27.149 1.00 30.43 H new ATOM 0 HG3 LYS A 147 9.042 -5.032 -25.642 1.00 30.43 H new ATOM 0 HD2 LYS A 147 7.749 -6.748 -26.601 1.00 41.44 H new ATOM 0 HD3 LYS A 147 6.655 -6.027 -25.437 1.00 41.44 H new ATOM 0 HE2 LYS A 147 6.483 -4.640 -28.000 1.00 44.21 H new ATOM 0 HE3 LYS A 147 6.229 -6.361 -28.215 1.00 44.21 H new ATOM 0 HZ1 LYS A 147 4.158 -5.221 -27.751 1.00 71.34 H new ATOM 0 HZ2 LYS A 147 4.523 -6.297 -26.489 1.00 71.34 H new ATOM 0 HZ3 LYS A 147 4.769 -4.630 -26.281 1.00 71.34 H new ATOM 497 N ALA A 148 6.774 -0.692 -26.757 1.00 1.24 N ATOM 498 CA ALA A 148 6.256 0.025 -27.915 1.00 45.52 C ATOM 499 C ALA A 148 7.112 1.247 -28.232 1.00 45.10 C ATOM 500 O ALA A 148 7.454 1.497 -29.389 1.00 33.43 O ATOM 501 CB ALA A 148 4.811 0.438 -27.678 1.00 4.31 C ATOM 0 H ALA A 148 6.282 -0.496 -25.885 1.00 1.24 H new ATOM 0 HA ALA A 148 6.294 -0.646 -28.773 1.00 45.52 H new ATOM 0 HB1 ALA A 148 4.437 0.973 -28.551 1.00 4.31 H new ATOM 0 HB2 ALA A 148 4.202 -0.450 -27.508 1.00 4.31 H new ATOM 0 HB3 ALA A 148 4.757 1.088 -26.804 1.00 4.31 H new ATOM 507 N THR A 149 7.457 2.007 -27.197 1.00 53.42 N ATOM 508 CA THR A 149 8.271 3.204 -27.366 1.00 1.25 C ATOM 509 C THR A 149 9.748 2.850 -27.494 1.00 4.44 C ATOM 510 O THR A 149 10.487 3.488 -28.245 1.00 10.02 O ATOM 511 CB THR A 149 8.089 4.178 -26.186 1.00 54.44 C ATOM 512 OG1 THR A 149 7.820 3.448 -24.984 1.00 62.14 O ATOM 513 CG2 THR A 149 6.951 5.151 -26.459 1.00 44.23 C ATOM 0 H THR A 149 7.185 1.814 -26.233 1.00 53.42 H new ATOM 0 HA THR A 149 7.935 3.688 -28.283 1.00 1.25 H new ATOM 0 HB THR A 149 9.012 4.745 -26.067 1.00 54.44 H new ATOM 0 HG1 THR A 149 8.665 3.158 -24.581 1.00 62.14 H new ATOM 0 HG21 THR A 149 6.841 5.829 -25.613 1.00 44.23 H new ATOM 0 HG22 THR A 149 7.172 5.726 -27.358 1.00 44.23 H new ATOM 0 HG23 THR A 149 6.024 4.596 -26.602 1.00 44.23 H new ATOM 521 N HIS A 150 10.174 1.830 -26.756 1.00 72.40 N ATOM 522 CA HIS A 150 11.564 1.390 -26.789 1.00 22.04 C ATOM 523 C HIS A 150 11.658 -0.089 -27.150 1.00 71.33 C ATOM 524 O HIS A 150 11.662 -0.966 -26.285 1.00 45.45 O ATOM 525 CB HIS A 150 12.232 1.640 -25.436 1.00 31.40 C ATOM 526 CG HIS A 150 11.928 2.987 -24.857 1.00 53.25 C ATOM 527 ND1 HIS A 150 10.725 3.294 -24.257 1.00 2.34 N ATOM 528 CD2 HIS A 150 12.679 4.111 -24.789 1.00 12.12 C ATOM 529 CE1 HIS A 150 10.749 4.549 -23.845 1.00 40.30 C ATOM 530 NE2 HIS A 150 11.924 5.067 -24.155 1.00 53.44 N ATOM 0 H HIS A 150 9.576 1.293 -26.128 1.00 72.40 H new ATOM 0 HA HIS A 150 12.083 1.966 -27.555 1.00 22.04 H new ATOM 0 HB2 HIS A 150 11.910 0.871 -24.734 1.00 31.40 H new ATOM 0 HB3 HIS A 150 13.311 1.537 -25.549 1.00 31.40 H new ATOM 0 HD2 HIS A 150 13.685 4.233 -25.164 1.00 12.12 H new ATOM 0 HE1 HIS A 150 9.945 5.064 -23.341 1.00 40.30 H new ATOM 0 HE2 HIS A 150 12.222 6.022 -23.956 1.00 53.44 H new ATOM 664 N HIS A 159 17.734 5.015 -26.034 1.00 43.40 N ATOM 665 CA HIS A 159 17.297 6.006 -25.057 1.00 20.14 C ATOM 666 C HIS A 159 18.077 5.864 -23.753 1.00 41.11 C ATOM 667 O HIS A 159 18.888 4.950 -23.600 1.00 40.51 O ATOM 668 CB HIS A 159 15.799 5.860 -24.787 1.00 2.24 C ATOM 669 CG HIS A 159 14.937 6.479 -25.844 1.00 1.05 C ATOM 670 ND1 HIS A 159 13.648 6.908 -25.607 1.00 71.35 N ATOM 671 CD2 HIS A 159 15.187 6.742 -27.148 1.00 14.14 C ATOM 672 CE1 HIS A 159 13.141 7.406 -26.721 1.00 42.10 C ATOM 673 NE2 HIS A 159 14.055 7.318 -27.671 1.00 30.14 N ATOM 0 HA HIS A 159 17.490 6.996 -25.469 1.00 20.14 H new ATOM 0 HB2 HIS A 159 15.555 4.801 -24.705 1.00 2.24 H new ATOM 0 HB3 HIS A 159 15.565 6.317 -23.825 1.00 2.24 H new ATOM 0 HD2 HIS A 159 16.105 6.537 -27.678 1.00 14.14 H new ATOM 0 HE1 HIS A 159 12.148 7.815 -26.835 1.00 42.10 H new ATOM 0 HE2 HIS A 159 13.939 7.627 -28.636 1.00 30.14 H new ATOM 680 N ARG A 160 17.827 6.774 -22.817 1.00 72.13 N ATOM 681 CA ARG A 160 18.507 6.751 -21.528 1.00 41.11 C ATOM 682 C ARG A 160 17.619 6.127 -20.456 1.00 13.54 C ATOM 683 O ARG A 160 16.400 6.043 -20.615 1.00 63.04 O ATOM 684 CB ARG A 160 18.907 8.168 -21.113 1.00 42.24 C ATOM 685 CG ARG A 160 20.361 8.290 -20.685 1.00 55.03 C ATOM 686 CD ARG A 160 20.882 9.705 -20.880 1.00 40.15 C ATOM 687 NE ARG A 160 21.113 10.014 -22.289 1.00 63.31 N ATOM 688 CZ ARG A 160 21.213 11.250 -22.764 1.00 4.43 C ATOM 689 NH1 ARG A 160 21.103 12.289 -21.946 1.00 65.53 N ATOM 690 NH2 ARG A 160 21.424 11.450 -24.058 1.00 44.43 N ATOM 0 H ARG A 160 17.158 7.536 -22.928 1.00 72.13 H new ATOM 0 HA ARG A 160 19.406 6.143 -21.630 1.00 41.11 H new ATOM 0 HB2 ARG A 160 18.724 8.847 -21.946 1.00 42.24 H new ATOM 0 HB3 ARG A 160 18.267 8.491 -20.292 1.00 42.24 H new ATOM 0 HG2 ARG A 160 20.458 8.007 -19.637 1.00 55.03 H new ATOM 0 HG3 ARG A 160 20.971 7.594 -21.261 1.00 55.03 H new ATOM 0 HD2 ARG A 160 20.166 10.415 -20.466 1.00 40.15 H new ATOM 0 HD3 ARG A 160 21.812 9.829 -20.325 1.00 40.15 H new ATOM 0 HE ARG A 160 21.202 9.237 -22.944 1.00 63.31 H new ATOM 0 HH11 ARG A 160 20.941 12.139 -20.950 1.00 65.53 H new ATOM 0 HH12 ARG A 160 21.180 13.238 -22.313 1.00 65.53 H new ATOM 0 HH21 ARG A 160 21.510 10.654 -24.690 1.00 44.43 H new ATOM 0 HH22 ARG A 160 21.501 12.400 -24.421 1.00 44.43 H new ATOM 704 N LEU A 161 18.236 5.692 -19.363 1.00 64.42 N ATOM 705 CA LEU A 161 17.502 5.075 -18.264 1.00 22.13 C ATOM 706 C LEU A 161 18.340 5.061 -16.989 1.00 42.43 C ATOM 707 O LEU A 161 19.471 5.549 -16.973 1.00 70.42 O ATOM 708 CB LEU A 161 17.094 3.648 -18.634 1.00 55.22 C ATOM 709 CG LEU A 161 15.594 3.404 -18.810 1.00 24.42 C ATOM 710 CD1 LEU A 161 15.316 2.730 -20.144 1.00 63.44 C ATOM 711 CD2 LEU A 161 15.053 2.563 -17.663 1.00 22.24 C ATOM 0 H LEU A 161 19.243 5.755 -19.214 1.00 64.42 H new ATOM 0 HA LEU A 161 16.605 5.667 -18.082 1.00 22.13 H new ATOM 0 HB2 LEU A 161 17.598 3.376 -19.562 1.00 55.22 H new ATOM 0 HB3 LEU A 161 17.464 2.974 -17.861 1.00 55.22 H new ATOM 0 HG LEU A 161 15.085 4.368 -18.800 1.00 24.42 H new ATOM 0 HD11 LEU A 161 14.244 2.564 -20.252 1.00 63.44 H new ATOM 0 HD12 LEU A 161 15.668 3.368 -20.954 1.00 63.44 H new ATOM 0 HD13 LEU A 161 15.837 1.773 -20.184 1.00 63.44 H new ATOM 0 HD21 LEU A 161 13.985 2.399 -17.804 1.00 22.24 H new ATOM 0 HD22 LEU A 161 15.568 1.602 -17.642 1.00 22.24 H new ATOM 0 HD23 LEU A 161 15.219 3.084 -16.720 1.00 22.24 H new ATOM 723 N ILE A 162 17.779 4.499 -15.924 1.00 70.14 N ATOM 724 CA ILE A 162 18.476 4.419 -14.647 1.00 20.03 C ATOM 725 C ILE A 162 18.527 2.983 -14.137 1.00 63.44 C ATOM 726 O ILE A 162 17.523 2.442 -13.676 1.00 21.41 O ATOM 727 CB ILE A 162 17.804 5.306 -13.582 1.00 75.41 C ATOM 728 CG1 ILE A 162 17.589 6.720 -14.126 1.00 31.50 C ATOM 729 CG2 ILE A 162 18.644 5.342 -12.315 1.00 25.33 C ATOM 730 CD1 ILE A 162 16.134 7.064 -14.357 1.00 62.31 C ATOM 0 H ILE A 162 16.844 4.092 -15.920 1.00 70.14 H new ATOM 0 HA ILE A 162 19.491 4.777 -14.819 1.00 20.03 H new ATOM 0 HB ILE A 162 16.831 4.880 -13.337 1.00 75.41 H new ATOM 0 HG12 ILE A 162 18.017 7.438 -13.427 1.00 31.50 H new ATOM 0 HG13 ILE A 162 18.132 6.826 -15.065 1.00 31.50 H new ATOM 0 HG21 ILE A 162 18.156 5.973 -11.572 1.00 25.33 H new ATOM 0 HG22 ILE A 162 18.750 4.332 -11.920 1.00 25.33 H new ATOM 0 HG23 ILE A 162 19.630 5.747 -12.543 1.00 25.33 H new ATOM 0 HD11 ILE A 162 16.057 8.081 -14.743 1.00 62.31 H new ATOM 0 HD12 ILE A 162 15.706 6.369 -15.079 1.00 62.31 H new ATOM 0 HD13 ILE A 162 15.589 6.991 -13.416 1.00 62.31 H new ATOM 894 N LEU A 173 22.750 -4.046 -9.432 1.00 70.24 N ATOM 895 CA LEU A 173 23.181 -3.281 -10.597 1.00 41.40 C ATOM 896 C LEU A 173 23.807 -1.955 -10.176 1.00 10.11 C ATOM 897 O LEU A 173 23.718 -1.557 -9.015 1.00 3.40 O ATOM 898 CB LEU A 173 21.997 -3.025 -11.531 1.00 14.34 C ATOM 899 CG LEU A 173 21.585 -4.192 -12.428 1.00 70.21 C ATOM 900 CD1 LEU A 173 20.100 -4.483 -12.278 1.00 52.12 C ATOM 901 CD2 LEU A 173 21.928 -3.895 -13.881 1.00 22.24 C ATOM 0 HA LEU A 173 23.933 -3.866 -11.127 1.00 41.40 H new ATOM 0 HB2 LEU A 173 21.138 -2.738 -10.925 1.00 14.34 H new ATOM 0 HB3 LEU A 173 22.239 -2.173 -12.166 1.00 14.34 H new ATOM 0 HG LEU A 173 22.141 -5.077 -12.118 1.00 70.21 H new ATOM 0 HD11 LEU A 173 19.826 -5.317 -12.924 1.00 52.12 H new ATOM 0 HD12 LEU A 173 19.883 -4.740 -11.241 1.00 52.12 H new ATOM 0 HD13 LEU A 173 19.526 -3.601 -12.561 1.00 52.12 H new ATOM 0 HD21 LEU A 173 21.628 -4.737 -14.505 1.00 22.24 H new ATOM 0 HD22 LEU A 173 21.400 -2.998 -14.203 1.00 22.24 H new ATOM 0 HD23 LEU A 173 23.002 -3.738 -13.976 1.00 22.24 H new ATOM 913 N MET A 174 24.438 -1.275 -11.128 1.00 72.41 N ATOM 914 CA MET A 174 25.075 0.008 -10.856 1.00 64.42 C ATOM 915 C MET A 174 24.305 1.148 -11.515 1.00 25.22 C ATOM 916 O MET A 174 23.406 0.885 -12.312 1.00 65.21 O ATOM 917 CB MET A 174 26.522 -0.002 -11.355 1.00 12.42 C ATOM 918 CG MET A 174 27.538 0.338 -10.277 1.00 4.10 C ATOM 919 SD MET A 174 29.203 -0.216 -10.693 1.00 0.11 S ATOM 920 CE MET A 174 29.524 -1.361 -9.353 1.00 54.50 C ATOM 0 H MET A 174 24.522 -1.591 -12.094 1.00 72.41 H new ATOM 0 HA MET A 174 25.071 0.167 -9.778 1.00 64.42 H new ATOM 0 HB2 MET A 174 26.751 -0.987 -11.761 1.00 12.42 H new ATOM 0 HB3 MET A 174 26.620 0.711 -12.174 1.00 12.42 H new ATOM 0 HG2 MET A 174 27.547 1.416 -10.119 1.00 4.10 H new ATOM 0 HG3 MET A 174 27.231 -0.120 -9.337 1.00 4.10 H new ATOM 0 HE1 MET A 174 30.585 -1.611 -9.334 1.00 54.50 H new ATOM 0 HE2 MET A 174 29.243 -0.901 -8.406 1.00 54.50 H new ATOM 0 HE3 MET A 174 28.940 -2.269 -9.502 1.00 54.50 H new ATOM 930 N CYS A 175 24.669 2.375 -11.172 1.00 21.21 N ATOM 931 CA CYS A 175 24.005 3.537 -11.736 1.00 40.52 C ATOM 932 C CYS A 175 24.535 3.752 -13.155 1.00 71.45 C ATOM 933 O CYS A 175 25.391 3.017 -13.651 1.00 55.23 O ATOM 934 CB CYS A 175 24.197 4.778 -10.862 1.00 40.41 C ATOM 935 SG CYS A 175 22.598 5.641 -10.640 1.00 24.10 S ATOM 0 H CYS A 175 25.415 2.589 -10.511 1.00 21.21 H new ATOM 0 HA CYS A 175 22.930 3.362 -11.773 1.00 40.52 H new ATOM 0 HB2 CYS A 175 24.602 4.490 -9.892 1.00 40.41 H new ATOM 0 HB3 CYS A 175 24.921 5.449 -11.324 1.00 40.41 H new ATOM 0 HG CYS A 175 22.624 6.326 -9.535 1.00 24.10 H new ATOM 940 N LEU A 176 24.004 4.782 -13.803 1.00 53.45 N ATOM 941 CA LEU A 176 24.404 5.119 -15.165 1.00 61.44 C ATOM 942 C LEU A 176 25.897 5.424 -15.234 1.00 60.35 C ATOM 943 O LEU A 176 26.648 4.740 -15.930 1.00 11.25 O ATOM 944 CB LEU A 176 23.603 6.319 -15.672 1.00 73.00 C ATOM 945 CG LEU A 176 23.703 6.609 -17.170 1.00 2.20 C ATOM 946 CD1 LEU A 176 22.402 6.251 -17.872 1.00 25.24 C ATOM 947 CD2 LEU A 176 24.054 8.071 -17.408 1.00 24.34 C ATOM 0 H LEU A 176 23.295 5.399 -13.407 1.00 53.45 H new ATOM 0 HA LEU A 176 24.197 4.258 -15.801 1.00 61.44 H new ATOM 0 HB2 LEU A 176 22.554 6.162 -15.422 1.00 73.00 H new ATOM 0 HB3 LEU A 176 23.931 7.205 -15.128 1.00 73.00 H new ATOM 0 HG LEU A 176 24.499 5.992 -17.587 1.00 2.20 H new ATOM 0 HD11 LEU A 176 22.493 6.464 -18.937 1.00 25.24 H new ATOM 0 HD12 LEU A 176 22.192 5.191 -17.731 1.00 25.24 H new ATOM 0 HD13 LEU A 176 21.588 6.841 -17.452 1.00 25.24 H new ATOM 0 HD21 LEU A 176 24.121 8.259 -18.480 1.00 24.34 H new ATOM 0 HD22 LEU A 176 23.281 8.706 -16.976 1.00 24.34 H new ATOM 0 HD23 LEU A 176 25.012 8.296 -16.939 1.00 24.34 H new ATOM 959 N GLU A 177 26.320 6.453 -14.507 1.00 52.12 N ATOM 960 CA GLU A 177 27.724 6.847 -14.486 1.00 34.03 C ATOM 961 C GLU A 177 28.207 7.061 -13.054 1.00 73.10 C ATOM 962 O GLU A 177 28.801 8.091 -12.735 1.00 12.32 O ATOM 963 CB GLU A 177 27.930 8.125 -15.302 1.00 24.34 C ATOM 964 CG GLU A 177 29.351 8.298 -15.812 1.00 70.32 C ATOM 965 CD GLU A 177 29.690 9.744 -16.117 1.00 15.15 C ATOM 966 OE1 GLU A 177 28.805 10.466 -16.623 1.00 31.12 O ATOM 967 OE2 GLU A 177 30.838 10.154 -15.849 1.00 1.20 O ATOM 0 H GLU A 177 25.711 7.029 -13.925 1.00 52.12 H new ATOM 0 HA GLU A 177 28.308 6.042 -14.932 1.00 34.03 H new ATOM 0 HB2 GLU A 177 27.246 8.118 -16.151 1.00 24.34 H new ATOM 0 HB3 GLU A 177 27.666 8.985 -14.687 1.00 24.34 H new ATOM 0 HG2 GLU A 177 30.049 7.914 -15.068 1.00 70.32 H new ATOM 0 HG3 GLU A 177 29.485 7.700 -16.713 1.00 70.32 H new ATOM 974 N HIS A 178 27.947 6.080 -12.195 1.00 52.22 N ATOM 975 CA HIS A 178 28.355 6.160 -10.797 1.00 52.21 C ATOM 976 C HIS A 178 28.866 4.811 -10.302 1.00 62.43 C ATOM 977 O HIS A 178 28.144 4.069 -9.637 1.00 11.54 O ATOM 978 CB HIS A 178 27.186 6.625 -9.929 1.00 15.24 C ATOM 979 CG HIS A 178 26.684 7.992 -10.281 1.00 73.43 C ATOM 980 ND1 HIS A 178 25.349 8.276 -10.478 1.00 72.50 N ATOM 981 CD2 HIS A 178 27.347 9.156 -10.471 1.00 15.53 C ATOM 982 CE1 HIS A 178 25.212 9.556 -10.775 1.00 23.50 C ATOM 983 NE2 HIS A 178 26.410 10.113 -10.777 1.00 32.15 N ATOM 0 H HIS A 178 27.456 5.221 -12.443 1.00 52.22 H new ATOM 0 HA HIS A 178 29.165 6.885 -10.722 1.00 52.21 H new ATOM 0 HB2 HIS A 178 26.368 5.911 -10.024 1.00 15.24 H new ATOM 0 HB3 HIS A 178 27.495 6.619 -8.884 1.00 15.24 H new ATOM 0 HD2 HIS A 178 28.414 9.305 -10.396 1.00 15.53 H new ATOM 0 HE1 HIS A 178 24.280 10.061 -10.981 1.00 23.50 H new ATOM 0 HE2 HIS A 178 26.607 11.094 -10.974 1.00 32.15 H new ATOM 990 N GLU A 179 30.115 4.499 -10.633 1.00 64.13 N ATOM 991 CA GLU A 179 30.722 3.238 -10.223 1.00 75.43 C ATOM 992 C GLU A 179 31.184 3.303 -8.770 1.00 72.05 C ATOM 993 O GLU A 179 31.140 2.307 -8.048 1.00 74.25 O ATOM 994 CB GLU A 179 31.905 2.896 -11.131 1.00 74.35 C ATOM 995 CG GLU A 179 32.960 3.987 -11.192 1.00 65.41 C ATOM 996 CD GLU A 179 34.217 3.626 -10.423 1.00 72.04 C ATOM 997 OE1 GLU A 179 34.092 3.119 -9.289 1.00 22.41 O ATOM 998 OE2 GLU A 179 35.324 3.851 -10.955 1.00 72.14 O ATOM 0 H GLU A 179 30.726 5.102 -11.184 1.00 64.13 H new ATOM 0 HA GLU A 179 29.968 2.456 -10.312 1.00 75.43 H new ATOM 0 HB2 GLU A 179 32.368 1.974 -10.779 1.00 74.35 H new ATOM 0 HB3 GLU A 179 31.535 2.703 -12.138 1.00 74.35 H new ATOM 0 HG2 GLU A 179 33.218 4.180 -12.233 1.00 65.41 H new ATOM 0 HG3 GLU A 179 32.545 4.911 -10.790 1.00 65.41 H new ATOM 1005 N ASP A 180 31.627 4.482 -8.350 1.00 3.34 N ATOM 1006 CA ASP A 180 32.098 4.679 -6.983 1.00 54.13 C ATOM 1007 C ASP A 180 30.942 4.582 -5.992 1.00 24.23 C ATOM 1008 O ASP A 180 31.146 4.289 -4.814 1.00 65.22 O ATOM 1009 CB ASP A 180 32.788 6.037 -6.850 1.00 11.35 C ATOM 1010 CG ASP A 180 33.573 6.163 -5.559 1.00 1.12 C ATOM 1011 OD1 ASP A 180 34.064 5.129 -5.060 1.00 71.23 O ATOM 1012 OD2 ASP A 180 33.696 7.296 -5.047 1.00 21.44 O ATOM 0 H ASP A 180 31.670 5.316 -8.935 1.00 3.34 H new ATOM 0 HA ASP A 180 32.816 3.892 -6.754 1.00 54.13 H new ATOM 0 HB2 ASP A 180 33.459 6.185 -7.696 1.00 11.35 H new ATOM 0 HB3 ASP A 180 32.039 6.828 -6.895 1.00 11.35 H new ATOM 1017 N GLU A 181 29.730 4.831 -6.477 1.00 20.31 N ATOM 1018 CA GLU A 181 28.543 4.773 -5.632 1.00 21.32 C ATOM 1019 C GLU A 181 27.464 3.902 -6.269 1.00 32.04 C ATOM 1020 O GLU A 181 26.942 4.221 -7.337 1.00 42.42 O ATOM 1021 CB GLU A 181 27.997 6.181 -5.384 1.00 24.55 C ATOM 1022 CG GLU A 181 27.708 6.472 -3.921 1.00 3.04 C ATOM 1023 CD GLU A 181 26.250 6.263 -3.561 1.00 51.54 C ATOM 1024 OE1 GLU A 181 25.875 5.114 -3.247 1.00 45.14 O ATOM 1025 OE2 GLU A 181 25.483 7.249 -3.594 1.00 64.43 O ATOM 0 H GLU A 181 29.544 5.075 -7.450 1.00 20.31 H new ATOM 0 HA GLU A 181 28.828 4.329 -4.678 1.00 21.32 H new ATOM 0 HB2 GLU A 181 28.716 6.911 -5.756 1.00 24.55 H new ATOM 0 HB3 GLU A 181 27.081 6.313 -5.960 1.00 24.55 H new ATOM 0 HG2 GLU A 181 28.328 5.828 -3.297 1.00 3.04 H new ATOM 0 HG3 GLU A 181 27.990 7.501 -3.697 1.00 3.04 H new ATOM 1032 N LYS A 182 27.134 2.799 -5.605 1.00 13.32 N ATOM 1033 CA LYS A 182 26.117 1.881 -6.103 1.00 54.23 C ATOM 1034 C LYS A 182 24.718 2.364 -5.730 1.00 64.54 C ATOM 1035 O LYS A 182 24.563 3.321 -4.973 1.00 13.24 O ATOM 1036 CB LYS A 182 26.349 0.476 -5.543 1.00 4.43 C ATOM 1037 CG LYS A 182 26.749 -0.541 -6.597 1.00 52.04 C ATOM 1038 CD LYS A 182 27.436 -1.746 -5.978 1.00 21.13 C ATOM 1039 CE LYS A 182 27.143 -3.018 -6.759 1.00 10.20 C ATOM 1040 NZ LYS A 182 27.576 -4.236 -6.019 1.00 52.51 N ATOM 0 H LYS A 182 27.557 2.519 -4.720 1.00 13.32 H new ATOM 0 HA LYS A 182 26.194 1.849 -7.190 1.00 54.23 H new ATOM 0 HB2 LYS A 182 27.127 0.522 -4.781 1.00 4.43 H new ATOM 0 HB3 LYS A 182 25.439 0.136 -5.049 1.00 4.43 H new ATOM 0 HG2 LYS A 182 25.864 -0.867 -7.144 1.00 52.04 H new ATOM 0 HG3 LYS A 182 27.416 -0.073 -7.321 1.00 52.04 H new ATOM 0 HD2 LYS A 182 28.512 -1.576 -5.948 1.00 21.13 H new ATOM 0 HD3 LYS A 182 27.103 -1.866 -4.947 1.00 21.13 H new ATOM 0 HE2 LYS A 182 26.074 -3.079 -6.965 1.00 10.20 H new ATOM 0 HE3 LYS A 182 27.652 -2.978 -7.722 1.00 10.20 H new ATOM 0 HZ1 LYS A 182 27.359 -5.081 -6.585 1.00 52.51 H new ATOM 0 HZ2 LYS A 182 28.600 -4.190 -5.844 1.00 52.51 H new ATOM 0 HZ3 LYS A 182 27.072 -4.288 -5.111 1.00 52.51 H new ATOM 1054 N VAL A 183 23.703 1.693 -6.267 1.00 3.25 N ATOM 1055 CA VAL A 183 22.318 2.052 -5.988 1.00 31.02 C ATOM 1056 C VAL A 183 21.868 1.501 -4.639 1.00 61.35 C ATOM 1057 O VAL A 183 21.903 0.293 -4.409 1.00 32.14 O ATOM 1058 CB VAL A 183 21.371 1.530 -7.085 1.00 44.10 C ATOM 1059 CG1 VAL A 183 21.610 2.270 -8.393 1.00 21.25 C ATOM 1060 CG2 VAL A 183 21.548 0.031 -7.271 1.00 73.33 C ATOM 0 H VAL A 183 23.814 0.899 -6.897 1.00 3.25 H new ATOM 0 HA VAL A 183 22.272 3.141 -5.966 1.00 31.02 H new ATOM 0 HB VAL A 183 20.343 1.716 -6.773 1.00 44.10 H new ATOM 0 HG11 VAL A 183 20.932 1.888 -9.156 1.00 21.25 H new ATOM 0 HG12 VAL A 183 21.429 3.335 -8.247 1.00 21.25 H new ATOM 0 HG13 VAL A 183 22.641 2.118 -8.714 1.00 21.25 H new ATOM 0 HG21 VAL A 183 20.871 -0.321 -8.050 1.00 73.33 H new ATOM 0 HG22 VAL A 183 22.577 -0.181 -7.561 1.00 73.33 H new ATOM 0 HG23 VAL A 183 21.322 -0.481 -6.335 1.00 73.33 H new ATOM 1070 N ASN A 184 21.445 2.395 -3.752 1.00 3.21 N ATOM 1071 CA ASN A 184 20.988 1.998 -2.425 1.00 41.21 C ATOM 1072 C ASN A 184 19.720 2.753 -2.038 1.00 42.42 C ATOM 1073 O ASN A 184 19.398 2.882 -0.857 1.00 60.35 O ATOM 1074 CB ASN A 184 22.084 2.253 -1.388 1.00 14.11 C ATOM 1075 CG ASN A 184 21.934 1.374 -0.161 1.00 51.31 C ATOM 1076 OD1 ASN A 184 20.984 0.599 -0.052 1.00 22.45 O ATOM 1077 ND2 ASN A 184 22.874 1.493 0.769 1.00 31.44 N ATOM 0 H ASN A 184 21.409 3.399 -3.928 1.00 3.21 H new ATOM 0 HA ASN A 184 20.761 0.932 -2.450 1.00 41.21 H new ATOM 0 HB2 ASN A 184 23.059 2.075 -1.842 1.00 14.11 H new ATOM 0 HB3 ASN A 184 22.059 3.300 -1.087 1.00 14.11 H new ATOM 0 HD21 ASN A 184 22.827 0.928 1.617 1.00 31.44 H new ATOM 0 HD22 ASN A 184 23.644 2.149 0.635 1.00 31.44 H new ATOM 1084 N MET A 185 19.005 3.251 -3.042 1.00 33.23 N ATOM 1085 CA MET A 185 17.771 3.992 -2.806 1.00 71.34 C ATOM 1086 C MET A 185 16.681 3.557 -3.781 1.00 61.40 C ATOM 1087 O MET A 185 16.931 2.771 -4.696 1.00 13.21 O ATOM 1088 CB MET A 185 18.020 5.495 -2.940 1.00 43.22 C ATOM 1089 CG MET A 185 18.353 6.176 -1.622 1.00 61.42 C ATOM 1090 SD MET A 185 17.347 7.642 -1.324 1.00 42.12 S ATOM 1091 CE MET A 185 17.521 7.817 0.450 1.00 50.12 C ATOM 0 H MET A 185 19.258 3.155 -4.025 1.00 33.23 H new ATOM 0 HA MET A 185 17.435 3.776 -1.792 1.00 71.34 H new ATOM 0 HB2 MET A 185 18.839 5.658 -3.641 1.00 43.22 H new ATOM 0 HB3 MET A 185 17.135 5.965 -3.369 1.00 43.22 H new ATOM 0 HG2 MET A 185 18.208 5.469 -0.805 1.00 61.42 H new ATOM 0 HG3 MET A 185 19.406 6.456 -1.618 1.00 61.42 H new ATOM 0 HE1 MET A 185 16.688 8.401 0.842 1.00 50.12 H new ATOM 0 HE2 MET A 185 17.523 6.831 0.914 1.00 50.12 H new ATOM 0 HE3 MET A 185 18.458 8.326 0.675 1.00 50.12 H new ATOM 1101 N TYR A 186 15.473 4.071 -3.579 1.00 3.00 N ATOM 1102 CA TYR A 186 14.345 3.733 -4.438 1.00 40.15 C ATOM 1103 C TYR A 186 13.465 4.954 -4.688 1.00 43.31 C ATOM 1104 O TYR A 186 13.142 5.669 -3.740 1.00 75.44 O ATOM 1105 CB TYR A 186 13.515 2.613 -3.809 1.00 61.12 C ATOM 1106 CG TYR A 186 12.434 2.076 -4.719 1.00 54.13 C ATOM 1107 CD1 TYR A 186 12.732 1.163 -5.723 1.00 23.23 C ATOM 1108 CD2 TYR A 186 11.112 2.482 -4.575 1.00 24.31 C ATOM 1109 CE1 TYR A 186 11.747 0.671 -6.557 1.00 24.51 C ATOM 1110 CE2 TYR A 186 10.121 1.994 -5.404 1.00 34.54 C ATOM 1111 CZ TYR A 186 10.443 1.089 -6.393 1.00 62.43 C ATOM 1112 OH TYR A 186 9.459 0.599 -7.221 1.00 50.53 O ATOM 0 H TYR A 186 15.250 4.724 -2.827 1.00 3.00 H new ATOM 0 HA TYR A 186 14.740 3.390 -5.394 1.00 40.15 H new ATOM 0 HB2 TYR A 186 14.178 1.796 -3.525 1.00 61.12 H new ATOM 0 HB3 TYR A 186 13.056 2.983 -2.892 1.00 61.12 H new ATOM 0 HD1 TYR A 186 13.752 0.832 -5.854 1.00 23.23 H new ATOM 0 HD2 TYR A 186 10.856 3.191 -3.802 1.00 24.31 H new ATOM 0 HE1 TYR A 186 11.997 -0.037 -7.333 1.00 24.51 H new ATOM 0 HE2 TYR A 186 9.099 2.320 -5.278 1.00 34.54 H new ATOM 0 HH TYR A 186 9.855 0.329 -8.076 1.00 50.53 H new ATOM 1122 N CYS A 187 13.102 5.164 -5.945 1.00 13.33 N ATOM 1123 CA CYS A 187 12.264 6.296 -6.302 1.00 54.11 C ATOM 1124 C CYS A 187 10.851 5.779 -6.580 1.00 71.25 C ATOM 1125 O CYS A 187 10.646 4.772 -7.258 1.00 72.31 O ATOM 1126 CB CYS A 187 12.834 7.068 -7.494 1.00 13.34 C ATOM 1127 SG CYS A 187 11.761 8.498 -7.884 1.00 14.41 S ATOM 0 H CYS A 187 13.373 4.570 -6.728 1.00 13.33 H new ATOM 0 HA CYS A 187 12.234 7.005 -5.475 1.00 54.11 H new ATOM 0 HB2 CYS A 187 13.843 7.411 -7.266 1.00 13.34 H new ATOM 0 HB3 CYS A 187 12.909 6.412 -8.361 1.00 13.34 H new ATOM 0 HG CYS A 187 12.439 9.378 -8.559 1.00 14.41 H new ATOM 1132 N VAL A 188 9.873 6.497 -6.038 1.00 34.34 N ATOM 1133 CA VAL A 188 8.471 6.134 -6.212 1.00 41.40 C ATOM 1134 C VAL A 188 7.925 6.671 -7.530 1.00 72.24 C ATOM 1135 O VAL A 188 7.329 5.932 -8.315 1.00 53.43 O ATOM 1136 CB VAL A 188 7.605 6.668 -5.055 1.00 64.32 C ATOM 1137 CG1 VAL A 188 6.143 6.310 -5.274 1.00 1.53 C ATOM 1138 CG2 VAL A 188 8.102 6.124 -3.724 1.00 43.50 C ATOM 0 H VAL A 188 10.025 7.334 -5.475 1.00 34.34 H new ATOM 0 HA VAL A 188 8.424 5.045 -6.218 1.00 41.40 H new ATOM 0 HB VAL A 188 7.689 7.755 -5.032 1.00 64.32 H new ATOM 0 HG11 VAL A 188 5.546 6.695 -4.447 1.00 1.53 H new ATOM 0 HG12 VAL A 188 5.796 6.752 -6.208 1.00 1.53 H new ATOM 0 HG13 VAL A 188 6.037 5.226 -5.324 1.00 1.53 H new ATOM 0 HG21 VAL A 188 7.479 6.511 -2.917 1.00 43.50 H new ATOM 0 HG22 VAL A 188 8.049 5.035 -3.733 1.00 43.50 H new ATOM 0 HG23 VAL A 188 9.135 6.435 -3.566 1.00 43.50 H new ATOM 1148 N THR A 189 8.132 7.962 -7.769 1.00 43.20 N ATOM 1149 CA THR A 189 7.660 8.599 -8.992 1.00 63.21 C ATOM 1150 C THR A 189 8.123 7.831 -10.225 1.00 41.43 C ATOM 1151 O THR A 189 7.458 7.842 -11.261 1.00 15.31 O ATOM 1152 CB THR A 189 8.152 10.055 -9.093 1.00 40.12 C ATOM 1153 OG1 THR A 189 7.769 10.784 -7.922 1.00 33.02 O ATOM 1154 CG2 THR A 189 7.581 10.734 -10.329 1.00 1.42 C ATOM 0 H THR A 189 8.624 8.588 -7.131 1.00 43.20 H new ATOM 0 HA THR A 189 6.571 8.594 -8.952 1.00 63.21 H new ATOM 0 HB THR A 189 9.239 10.043 -9.173 1.00 40.12 H new ATOM 0 HG1 THR A 189 8.087 11.708 -7.993 1.00 33.02 H new ATOM 0 HG21 THR A 189 7.942 11.761 -10.379 1.00 1.42 H new ATOM 0 HG22 THR A 189 7.899 10.193 -11.221 1.00 1.42 H new ATOM 0 HG23 THR A 189 6.492 10.734 -10.274 1.00 1.42 H new ATOM 1162 N ASP A 190 9.267 7.166 -10.107 1.00 74.33 N ATOM 1163 CA ASP A 190 9.818 6.391 -11.213 1.00 33.31 C ATOM 1164 C ASP A 190 9.627 4.896 -10.976 1.00 64.35 C ATOM 1165 O ASP A 190 9.650 4.101 -11.916 1.00 62.32 O ATOM 1166 CB ASP A 190 11.303 6.706 -11.394 1.00 64.11 C ATOM 1167 CG ASP A 190 11.551 8.168 -11.708 1.00 12.42 C ATOM 1168 OD1 ASP A 190 10.581 8.871 -12.061 1.00 1.33 O ATOM 1169 OD2 ASP A 190 12.714 8.610 -11.601 1.00 64.23 O ATOM 0 H ASP A 190 9.831 7.148 -9.257 1.00 74.33 H new ATOM 0 HA ASP A 190 9.283 6.668 -12.121 1.00 33.31 H new ATOM 0 HB2 ASP A 190 11.842 6.436 -10.486 1.00 64.11 H new ATOM 0 HB3 ASP A 190 11.706 6.091 -12.199 1.00 64.11 H new ATOM 1174 N ASP A 191 9.441 4.520 -9.716 1.00 0.41 N ATOM 1175 CA ASP A 191 9.247 3.121 -9.356 1.00 32.34 C ATOM 1176 C ASP A 191 10.485 2.296 -9.692 1.00 43.03 C ATOM 1177 O ASP A 191 10.385 1.112 -10.012 1.00 22.35 O ATOM 1178 CB ASP A 191 8.027 2.550 -10.080 1.00 15.12 C ATOM 1179 CG ASP A 191 7.068 1.850 -9.136 1.00 43.13 C ATOM 1180 OD1 ASP A 191 6.608 2.496 -8.171 1.00 75.43 O ATOM 1181 OD2 ASP A 191 6.778 0.657 -9.363 1.00 44.02 O ATOM 0 H ASP A 191 9.420 5.165 -8.926 1.00 0.41 H new ATOM 0 HA ASP A 191 9.079 3.069 -8.280 1.00 32.34 H new ATOM 0 HB2 ASP A 191 7.503 3.356 -10.594 1.00 15.12 H new ATOM 0 HB3 ASP A 191 8.358 1.847 -10.844 1.00 15.12 H new ATOM 1186 N GLN A 192 11.651 2.931 -9.619 1.00 54.04 N ATOM 1187 CA GLN A 192 12.908 2.256 -9.918 1.00 71.25 C ATOM 1188 C GLN A 192 13.926 2.483 -8.806 1.00 11.12 C ATOM 1189 O GLN A 192 13.659 3.205 -7.844 1.00 22.22 O ATOM 1190 CB GLN A 192 13.472 2.751 -11.251 1.00 64.43 C ATOM 1191 CG GLN A 192 13.296 1.761 -12.392 1.00 31.04 C ATOM 1192 CD GLN A 192 14.574 1.541 -13.177 1.00 11.42 C ATOM 1193 OE1 GLN A 192 14.889 2.297 -14.096 1.00 52.35 O ATOM 1194 NE2 GLN A 192 15.319 0.502 -12.817 1.00 52.45 N ATOM 0 H GLN A 192 11.751 3.911 -9.356 1.00 54.04 H new ATOM 0 HA GLN A 192 12.709 1.187 -9.990 1.00 71.25 H new ATOM 0 HB2 GLN A 192 12.984 3.689 -11.516 1.00 64.43 H new ATOM 0 HB3 GLN A 192 14.533 2.967 -11.129 1.00 64.43 H new ATOM 0 HG2 GLN A 192 12.952 0.808 -11.991 1.00 31.04 H new ATOM 0 HG3 GLN A 192 12.519 2.123 -13.065 1.00 31.04 H new ATOM 0 HE21 GLN A 192 15.019 -0.099 -12.049 1.00 52.45 H new ATOM 0 HE22 GLN A 192 16.191 0.305 -13.309 1.00 52.45 H new ATOM 1203 N LEU A 193 15.093 1.863 -8.943 1.00 34.14 N ATOM 1204 CA LEU A 193 16.152 1.997 -7.948 1.00 53.24 C ATOM 1205 C LEU A 193 17.122 3.109 -8.333 1.00 41.32 C ATOM 1206 O LEU A 193 17.298 3.412 -9.514 1.00 31.12 O ATOM 1207 CB LEU A 193 16.907 0.675 -7.797 1.00 52.52 C ATOM 1208 CG LEU A 193 16.147 -0.456 -7.105 1.00 72.51 C ATOM 1209 CD1 LEU A 193 16.748 -1.805 -7.470 1.00 44.31 C ATOM 1210 CD2 LEU A 193 16.153 -0.259 -5.596 1.00 51.53 C ATOM 0 H LEU A 193 15.330 1.263 -9.733 1.00 34.14 H new ATOM 0 HA LEU A 193 15.691 2.256 -6.995 1.00 53.24 H new ATOM 0 HB2 LEU A 193 17.203 0.333 -8.789 1.00 52.52 H new ATOM 0 HB3 LEU A 193 17.824 0.865 -7.239 1.00 52.52 H new ATOM 0 HG LEU A 193 15.113 -0.436 -7.450 1.00 72.51 H new ATOM 0 HD11 LEU A 193 16.194 -2.598 -6.968 1.00 44.31 H new ATOM 0 HD12 LEU A 193 16.690 -1.949 -8.549 1.00 44.31 H new ATOM 0 HD13 LEU A 193 17.791 -1.836 -7.155 1.00 44.31 H new ATOM 0 HD21 LEU A 193 15.607 -1.074 -5.121 1.00 51.53 H new ATOM 0 HD22 LEU A 193 17.181 -0.251 -5.234 1.00 51.53 H new ATOM 0 HD23 LEU A 193 15.675 0.689 -5.351 1.00 51.53 H new ATOM 1222 N ILE A 194 17.751 3.712 -7.330 1.00 15.42 N ATOM 1223 CA ILE A 194 18.706 4.788 -7.564 1.00 14.41 C ATOM 1224 C ILE A 194 19.787 4.807 -6.488 1.00 54.55 C ATOM 1225 O ILE A 194 19.754 3.972 -5.586 1.00 72.14 O ATOM 1226 CB ILE A 194 18.009 6.161 -7.600 1.00 40.51 C ATOM 1227 CG1 ILE A 194 17.405 6.487 -6.233 1.00 12.53 C ATOM 1228 CG2 ILE A 194 16.936 6.183 -8.678 1.00 73.41 C ATOM 1229 CD1 ILE A 194 16.757 7.853 -6.168 1.00 44.02 C ATOM 0 H ILE A 194 17.616 3.474 -6.347 1.00 15.42 H new ATOM 0 HA ILE A 194 19.165 4.597 -8.534 1.00 14.41 H new ATOM 0 HB ILE A 194 18.752 6.922 -7.839 1.00 40.51 H new ATOM 0 HG12 ILE A 194 16.662 5.729 -5.983 1.00 12.53 H new ATOM 0 HG13 ILE A 194 18.187 6.429 -5.476 1.00 12.53 H new ATOM 0 HG21 ILE A 194 16.453 7.160 -8.691 1.00 73.41 H new ATOM 0 HG22 ILE A 194 17.392 5.991 -9.649 1.00 73.41 H new ATOM 0 HG23 ILE A 194 16.193 5.414 -8.468 1.00 73.41 H new ATOM 0 HD11 ILE A 194 16.350 8.016 -5.170 1.00 44.02 H new ATOM 0 HD12 ILE A 194 17.501 8.619 -6.386 1.00 44.02 H new ATOM 0 HD13 ILE A 194 15.952 7.909 -6.901 1.00 44.02 H new ATOM 1241 N CYS A 195 20.710 5.751 -6.605 1.00 31.34 N ATOM 1242 CA CYS A 195 21.787 5.866 -5.637 1.00 5.22 C ATOM 1243 C CYS A 195 21.612 7.182 -4.877 1.00 14.33 C ATOM 1244 O CYS A 195 21.062 8.160 -5.384 1.00 23.15 O ATOM 1245 CB CYS A 195 23.161 5.772 -6.305 1.00 54.32 C ATOM 1246 SG CYS A 195 23.478 7.277 -7.296 1.00 45.52 S ATOM 0 H CYS A 195 20.734 6.442 -7.355 1.00 31.34 H new ATOM 0 HA CYS A 195 21.739 5.033 -4.936 1.00 5.22 H new ATOM 0 HB2 CYS A 195 23.936 5.655 -5.547 1.00 54.32 H new ATOM 0 HB3 CYS A 195 23.205 4.890 -6.944 1.00 54.32 H new ATOM 0 HG CYS A 195 24.647 7.188 -7.858 1.00 45.52 H new ATOM 1251 N ALA A 196 22.094 7.185 -3.639 1.00 25.35 N ATOM 1252 CA ALA A 196 22.006 8.364 -2.786 1.00 61.04 C ATOM 1253 C ALA A 196 22.660 9.571 -3.450 1.00 42.10 C ATOM 1254 O ALA A 196 22.266 10.713 -3.211 1.00 4.44 O ATOM 1255 CB ALA A 196 22.650 8.088 -1.436 1.00 11.54 C ATOM 0 H ALA A 196 22.550 6.383 -3.204 1.00 25.35 H new ATOM 0 HA ALA A 196 20.952 8.594 -2.632 1.00 61.04 H new ATOM 0 HB1 ALA A 196 22.577 8.977 -0.809 1.00 11.54 H new ATOM 0 HB2 ALA A 196 22.136 7.259 -0.950 1.00 11.54 H new ATOM 0 HB3 ALA A 196 23.699 7.830 -1.579 1.00 11.54 H new ATOM 1261 N LEU A 197 23.661 9.312 -4.284 1.00 21.50 N ATOM 1262 CA LEU A 197 24.371 10.378 -4.982 1.00 61.53 C ATOM 1263 C LEU A 197 23.473 11.038 -6.023 1.00 45.55 C ATOM 1264 O LEU A 197 23.743 12.172 -6.419 1.00 23.41 O ATOM 1265 CB LEU A 197 25.629 9.824 -5.654 1.00 40.33 C ATOM 1266 CG LEU A 197 26.626 10.862 -6.170 1.00 4.42 C ATOM 1267 CD1 LEU A 197 27.544 11.324 -5.048 1.00 64.55 C ATOM 1268 CD2 LEU A 197 27.437 10.295 -7.326 1.00 20.11 C ATOM 0 H LEU A 197 23.999 8.373 -4.493 1.00 21.50 H new ATOM 0 HA LEU A 197 24.660 11.131 -4.248 1.00 61.53 H new ATOM 0 HB2 LEU A 197 26.143 9.178 -4.942 1.00 40.33 H new ATOM 0 HB3 LEU A 197 25.323 9.196 -6.491 1.00 40.33 H new ATOM 0 HG LEU A 197 26.068 11.725 -6.534 1.00 4.42 H new ATOM 0 HD11 LEU A 197 28.247 12.062 -5.434 1.00 64.55 H new ATOM 0 HD12 LEU A 197 26.949 11.771 -4.252 1.00 64.55 H new ATOM 0 HD13 LEU A 197 28.095 10.470 -4.654 1.00 64.55 H new ATOM 0 HD21 LEU A 197 28.141 11.048 -7.680 1.00 20.11 H new ATOM 0 HD22 LEU A 197 27.985 9.415 -6.989 1.00 20.11 H new ATOM 0 HD23 LEU A 197 26.766 10.015 -8.138 1.00 20.11 H new ATOM 1280 N CYS A 198 22.436 10.326 -6.438 1.00 63.04 N ATOM 1281 CA CYS A 198 21.512 10.855 -7.427 1.00 10.34 C ATOM 1282 C CYS A 198 20.538 11.798 -6.717 1.00 42.20 C ATOM 1283 O CYS A 198 20.156 12.850 -7.230 1.00 52.10 O ATOM 1284 CB CYS A 198 20.782 9.738 -8.174 1.00 71.41 C ATOM 1285 SG CYS A 198 21.743 9.239 -9.649 1.00 44.32 S ATOM 0 H CYS A 198 22.215 9.387 -6.107 1.00 63.04 H new ATOM 0 HA CYS A 198 22.065 11.408 -8.186 1.00 10.34 H new ATOM 0 HB2 CYS A 198 20.640 8.881 -7.515 1.00 71.41 H new ATOM 0 HB3 CYS A 198 19.790 10.077 -8.474 1.00 71.41 H new ATOM 0 HG CYS A 198 22.651 8.375 -9.304 1.00 44.32 H new ATOM 1290 N LYS A 199 20.142 11.395 -5.515 1.00 12.14 N ATOM 1291 CA LYS A 199 19.216 12.183 -4.710 1.00 34.22 C ATOM 1292 C LYS A 199 19.905 13.418 -4.139 1.00 62.13 C ATOM 1293 O LYS A 199 19.258 14.425 -3.850 1.00 52.23 O ATOM 1294 CB LYS A 199 18.646 11.333 -3.572 1.00 72.51 C ATOM 1295 CG LYS A 199 17.301 11.822 -3.062 1.00 25.43 C ATOM 1296 CD LYS A 199 17.107 11.485 -1.593 1.00 11.43 C ATOM 1297 CE LYS A 199 17.634 12.593 -0.693 1.00 24.41 C ATOM 1298 NZ LYS A 199 17.069 12.507 0.682 1.00 73.31 N ATOM 0 H LYS A 199 20.448 10.527 -5.076 1.00 12.14 H new ATOM 0 HA LYS A 199 18.401 12.509 -5.356 1.00 34.22 H new ATOM 0 HB2 LYS A 199 18.543 10.304 -3.915 1.00 72.51 H new ATOM 0 HB3 LYS A 199 19.357 11.323 -2.746 1.00 72.51 H new ATOM 0 HG2 LYS A 199 17.228 12.901 -3.202 1.00 25.43 H new ATOM 0 HG3 LYS A 199 16.502 11.370 -3.649 1.00 25.43 H new ATOM 0 HD2 LYS A 199 16.048 11.324 -1.392 1.00 11.43 H new ATOM 0 HD3 LYS A 199 17.620 10.552 -1.362 1.00 11.43 H new ATOM 0 HE2 LYS A 199 18.721 12.534 -0.643 1.00 24.41 H new ATOM 0 HE3 LYS A 199 17.387 13.562 -1.127 1.00 24.41 H new ATOM 0 HZ1 LYS A 199 17.453 13.279 1.264 1.00 73.31 H new ATOM 0 HZ2 LYS A 199 16.033 12.589 0.637 1.00 73.31 H new ATOM 0 HZ3 LYS A 199 17.326 11.593 1.106 1.00 73.31 H new ATOM 1312 N LEU A 200 21.222 13.335 -3.981 1.00 35.32 N ATOM 1313 CA LEU A 200 22.000 14.447 -3.446 1.00 74.22 C ATOM 1314 C LEU A 200 22.192 15.533 -4.500 1.00 25.31 C ATOM 1315 O LEU A 200 21.892 16.703 -4.263 1.00 74.31 O ATOM 1316 CB LEU A 200 23.360 13.952 -2.952 1.00 42.13 C ATOM 1317 CG LEU A 200 24.215 14.975 -2.204 1.00 2.32 C ATOM 1318 CD1 LEU A 200 24.928 14.320 -1.031 1.00 71.32 C ATOM 1319 CD2 LEU A 200 25.219 15.623 -3.146 1.00 64.33 C ATOM 0 H LEU A 200 21.773 12.509 -4.216 1.00 35.32 H new ATOM 0 HA LEU A 200 21.450 14.874 -2.607 1.00 74.22 H new ATOM 0 HB2 LEU A 200 23.197 13.096 -2.297 1.00 42.13 H new ATOM 0 HB3 LEU A 200 23.927 13.593 -3.811 1.00 42.13 H new ATOM 0 HG LEU A 200 23.558 15.753 -1.815 1.00 2.32 H new ATOM 0 HD11 LEU A 200 25.532 15.064 -0.511 1.00 71.32 H new ATOM 0 HD12 LEU A 200 24.191 13.905 -0.343 1.00 71.32 H new ATOM 0 HD13 LEU A 200 25.573 13.521 -1.397 1.00 71.32 H new ATOM 0 HD21 LEU A 200 25.819 16.348 -2.596 1.00 64.33 H new ATOM 0 HD22 LEU A 200 25.871 14.857 -3.566 1.00 64.33 H new ATOM 0 HD23 LEU A 200 24.688 16.129 -3.952 1.00 64.33 H new ATOM 1331 N VAL A 201 22.694 15.137 -5.665 1.00 63.24 N ATOM 1332 CA VAL A 201 22.924 16.075 -6.757 1.00 42.32 C ATOM 1333 C VAL A 201 21.665 16.877 -7.067 1.00 72.33 C ATOM 1334 O VAL A 201 21.732 18.070 -7.359 1.00 33.01 O ATOM 1335 CB VAL A 201 23.384 15.348 -8.035 1.00 4.43 C ATOM 1336 CG1 VAL A 201 23.582 16.340 -9.172 1.00 33.54 C ATOM 1337 CG2 VAL A 201 24.662 14.566 -7.771 1.00 30.21 C ATOM 0 H VAL A 201 22.949 14.172 -5.877 1.00 63.24 H new ATOM 0 HA VAL A 201 23.712 16.753 -6.430 1.00 42.32 H new ATOM 0 HB VAL A 201 22.607 14.643 -8.331 1.00 4.43 H new ATOM 0 HG11 VAL A 201 23.907 15.808 -10.066 1.00 33.54 H new ATOM 0 HG12 VAL A 201 22.642 16.852 -9.376 1.00 33.54 H new ATOM 0 HG13 VAL A 201 24.339 17.071 -8.889 1.00 33.54 H new ATOM 0 HG21 VAL A 201 24.973 14.058 -8.684 1.00 30.21 H new ATOM 0 HG22 VAL A 201 25.448 15.250 -7.450 1.00 30.21 H new ATOM 0 HG23 VAL A 201 24.482 13.828 -6.989 1.00 30.21 H new ATOM 1347 N GLY A 202 20.515 16.211 -7.002 1.00 4.53 N ATOM 1348 CA GLY A 202 19.256 16.878 -7.278 1.00 30.33 C ATOM 1349 C GLY A 202 18.402 16.115 -8.270 1.00 72.45 C ATOM 1350 O GLY A 202 17.210 16.388 -8.413 1.00 51.01 O ATOM 0 H GLY A 202 20.433 15.223 -6.763 1.00 4.53 H new ATOM 0 HA2 GLY A 202 18.703 17.003 -6.347 1.00 30.33 H new ATOM 0 HA3 GLY A 202 19.455 17.877 -7.667 1.00 30.33 H new ATOM 1354 N ARG A 203 19.012 15.156 -8.960 1.00 10.11 N ATOM 1355 CA ARG A 203 18.300 14.353 -9.947 1.00 10.32 C ATOM 1356 C ARG A 203 17.029 13.758 -9.348 1.00 71.44 C ATOM 1357 O ARG A 203 16.039 13.547 -10.050 1.00 42.12 O ATOM 1358 CB ARG A 203 19.202 13.235 -10.472 1.00 73.22 C ATOM 1359 CG ARG A 203 20.181 13.693 -11.541 1.00 11.24 C ATOM 1360 CD ARG A 203 21.146 12.583 -11.925 1.00 24.14 C ATOM 1361 NE ARG A 203 21.576 12.688 -13.317 1.00 34.24 N ATOM 1362 CZ ARG A 203 22.399 13.630 -13.763 1.00 21.23 C ATOM 1363 NH1 ARG A 203 22.880 14.543 -12.930 1.00 40.05 N ATOM 1364 NH2 ARG A 203 22.743 13.659 -15.044 1.00 4.32 N ATOM 0 H ARG A 203 19.998 14.916 -8.853 1.00 10.11 H new ATOM 0 HA ARG A 203 18.020 15.004 -10.776 1.00 10.32 H new ATOM 0 HB2 ARG A 203 19.760 12.809 -9.639 1.00 73.22 H new ATOM 0 HB3 ARG A 203 18.579 12.438 -10.879 1.00 73.22 H new ATOM 0 HG2 ARG A 203 19.631 14.020 -12.423 1.00 11.24 H new ATOM 0 HG3 ARG A 203 20.742 14.554 -11.178 1.00 11.24 H new ATOM 0 HD2 ARG A 203 22.018 12.619 -11.273 1.00 24.14 H new ATOM 0 HD3 ARG A 203 20.669 11.616 -11.765 1.00 24.14 H new ATOM 0 HE ARG A 203 21.225 12.000 -13.983 1.00 34.24 H new ATOM 0 HH11 ARG A 203 22.618 14.523 -11.944 1.00 40.05 H new ATOM 0 HH12 ARG A 203 23.512 15.266 -13.275 1.00 40.05 H new ATOM 0 HH21 ARG A 203 22.375 12.958 -15.687 1.00 4.32 H new ATOM 0 HH22 ARG A 203 23.375 14.383 -15.386 1.00 4.32 H new ATOM 1378 N HIS A 204 17.064 13.488 -8.047 1.00 73.43 N ATOM 1379 CA HIS A 204 15.915 12.916 -7.354 1.00 54.11 C ATOM 1380 C HIS A 204 15.707 13.588 -6.000 1.00 43.43 C ATOM 1381 O HIS A 204 15.446 12.922 -4.999 1.00 22.41 O ATOM 1382 CB HIS A 204 16.103 11.411 -7.165 1.00 61.45 C ATOM 1383 CG HIS A 204 16.205 10.654 -8.454 1.00 33.42 C ATOM 1384 ND1 HIS A 204 15.185 9.867 -8.947 1.00 41.10 N ATOM 1385 CD2 HIS A 204 17.213 10.567 -9.353 1.00 10.32 C ATOM 1386 CE1 HIS A 204 15.562 9.328 -10.093 1.00 4.53 C ATOM 1387 NE2 HIS A 204 16.789 9.738 -10.362 1.00 20.12 N ATOM 0 H HIS A 204 17.875 13.656 -7.452 1.00 73.43 H new ATOM 0 HA HIS A 204 15.030 13.090 -7.966 1.00 54.11 H new ATOM 0 HB2 HIS A 204 17.005 11.237 -6.578 1.00 61.45 H new ATOM 0 HB3 HIS A 204 15.266 11.018 -6.588 1.00 61.45 H new ATOM 0 HD2 HIS A 204 18.173 11.058 -9.289 1.00 10.32 H new ATOM 0 HE1 HIS A 204 14.968 8.665 -10.705 1.00 4.53 H new ATOM 0 HE2 HIS A 204 17.333 9.480 -11.186 1.00 20.12 H new ATOM 1394 N ARG A 205 15.826 14.912 -5.978 1.00 21.11 N ATOM 1395 CA ARG A 205 15.654 15.674 -4.747 1.00 33.31 C ATOM 1396 C ARG A 205 14.174 15.880 -4.438 1.00 53.52 C ATOM 1397 O ARG A 205 13.713 15.591 -3.334 1.00 23.22 O ATOM 1398 CB ARG A 205 16.357 17.028 -4.857 1.00 73.13 C ATOM 1399 CG ARG A 205 17.477 17.217 -3.847 1.00 55.02 C ATOM 1400 CD ARG A 205 17.956 18.660 -3.810 1.00 74.21 C ATOM 1401 NE ARG A 205 17.370 19.402 -2.697 1.00 44.41 N ATOM 1402 CZ ARG A 205 17.840 20.567 -2.263 1.00 74.10 C ATOM 1403 NH1 ARG A 205 18.895 21.119 -2.846 1.00 20.34 N ATOM 1404 NH2 ARG A 205 17.253 21.182 -1.244 1.00 75.04 N ATOM 0 H ARG A 205 16.041 15.479 -6.798 1.00 21.11 H new ATOM 0 HA ARG A 205 16.102 15.106 -3.932 1.00 33.31 H new ATOM 0 HB2 ARG A 205 16.764 17.136 -5.862 1.00 73.13 H new ATOM 0 HB3 ARG A 205 15.622 17.821 -4.724 1.00 73.13 H new ATOM 0 HG2 ARG A 205 17.129 16.922 -2.857 1.00 55.02 H new ATOM 0 HG3 ARG A 205 18.311 16.562 -4.100 1.00 55.02 H new ATOM 0 HD2 ARG A 205 19.043 18.679 -3.727 1.00 74.21 H new ATOM 0 HD3 ARG A 205 17.700 19.151 -4.749 1.00 74.21 H new ATOM 0 HE ARG A 205 16.556 19.005 -2.227 1.00 44.41 H new ATOM 0 HH11 ARG A 205 19.348 20.650 -3.630 1.00 20.34 H new ATOM 0 HH12 ARG A 205 19.253 22.013 -2.511 1.00 20.34 H new ATOM 0 HH21 ARG A 205 16.441 20.761 -0.793 1.00 75.04 H new ATOM 0 HH22 ARG A 205 17.614 22.076 -0.911 1.00 75.04 H new ATOM 1418 N ASP A 206 13.435 16.383 -5.421 1.00 14.53 N ATOM 1419 CA ASP A 206 12.007 16.629 -5.255 1.00 33.22 C ATOM 1420 C ASP A 206 11.220 15.324 -5.324 1.00 34.12 C ATOM 1421 O ASP A 206 10.011 15.303 -5.090 1.00 74.21 O ATOM 1422 CB ASP A 206 11.506 17.598 -6.327 1.00 1.24 C ATOM 1423 CG ASP A 206 10.639 18.701 -5.751 1.00 23.32 C ATOM 1424 OD1 ASP A 206 9.564 18.384 -5.200 1.00 72.12 O ATOM 1425 OD2 ASP A 206 11.037 19.880 -5.850 1.00 13.20 O ATOM 0 H ASP A 206 13.801 16.628 -6.341 1.00 14.53 H new ATOM 0 HA ASP A 206 11.852 17.075 -4.273 1.00 33.22 H new ATOM 0 HB2 ASP A 206 12.360 18.041 -6.840 1.00 1.24 H new ATOM 0 HB3 ASP A 206 10.937 17.046 -7.075 1.00 1.24 H new ATOM 1430 N HIS A 207 11.913 14.237 -5.647 1.00 72.24 N ATOM 1431 CA HIS A 207 11.278 12.927 -5.748 1.00 4.31 C ATOM 1432 C HIS A 207 11.045 12.329 -4.364 1.00 21.01 C ATOM 1433 O HIS A 207 11.801 12.592 -3.429 1.00 51.11 O ATOM 1434 CB HIS A 207 12.140 11.983 -6.586 1.00 23.40 C ATOM 1435 CG HIS A 207 11.936 12.136 -8.062 1.00 34.43 C ATOM 1436 ND1 HIS A 207 12.665 11.435 -8.999 1.00 51.43 N ATOM 1437 CD2 HIS A 207 11.076 12.914 -8.760 1.00 70.43 C ATOM 1438 CE1 HIS A 207 12.264 11.777 -10.211 1.00 10.22 C ATOM 1439 NE2 HIS A 207 11.300 12.673 -10.093 1.00 61.45 N ATOM 0 H HIS A 207 12.914 14.237 -5.843 1.00 72.24 H new ATOM 0 HA HIS A 207 10.312 13.055 -6.237 1.00 4.31 H new ATOM 0 HB2 HIS A 207 13.190 12.160 -6.353 1.00 23.40 H new ATOM 0 HB3 HIS A 207 11.919 10.954 -6.302 1.00 23.40 H new ATOM 0 HD1 HIS A 207 13.399 10.758 -8.790 1.00 51.43 H new ATOM 0 HD2 HIS A 207 10.349 13.597 -8.346 1.00 70.43 H new ATOM 0 HE1 HIS A 207 12.657 11.390 -11.140 1.00 10.22 H new ATOM 1446 N GLN A 208 9.994 11.525 -4.242 1.00 21.43 N ATOM 1447 CA GLN A 208 9.661 10.891 -2.971 1.00 64.14 C ATOM 1448 C GLN A 208 10.288 9.504 -2.874 1.00 60.23 C ATOM 1449 O GLN A 208 9.746 8.529 -3.395 1.00 64.33 O ATOM 1450 CB GLN A 208 8.144 10.790 -2.810 1.00 14.34 C ATOM 1451 CG GLN A 208 7.699 10.546 -1.377 1.00 24.25 C ATOM 1452 CD GLN A 208 6.329 9.903 -1.292 1.00 10.21 C ATOM 1453 OE1 GLN A 208 6.205 8.715 -0.992 1.00 10.52 O ATOM 1454 NE2 GLN A 208 5.290 10.687 -1.556 1.00 61.25 N ATOM 0 H GLN A 208 9.359 11.297 -5.007 1.00 21.43 H new ATOM 0 HA GLN A 208 10.064 11.509 -2.169 1.00 64.14 H new ATOM 0 HB2 GLN A 208 7.687 11.711 -3.172 1.00 14.34 H new ATOM 0 HB3 GLN A 208 7.773 9.981 -3.439 1.00 14.34 H new ATOM 0 HG2 GLN A 208 8.428 9.907 -0.878 1.00 24.25 H new ATOM 0 HG3 GLN A 208 7.685 11.494 -0.839 1.00 24.25 H new ATOM 0 HE21 GLN A 208 5.439 11.666 -1.800 1.00 61.25 H new ATOM 0 HE22 GLN A 208 4.343 10.310 -1.514 1.00 61.25 H new ATOM 1463 N VAL A 209 11.433 9.423 -2.204 1.00 61.31 N ATOM 1464 CA VAL A 209 12.134 8.155 -2.038 1.00 75.20 C ATOM 1465 C VAL A 209 12.110 7.700 -0.583 1.00 1.51 C ATOM 1466 O VAL A 209 11.650 8.427 0.297 1.00 34.33 O ATOM 1467 CB VAL A 209 13.596 8.256 -2.509 1.00 64.23 C ATOM 1468 CG1 VAL A 209 13.658 8.635 -3.981 1.00 65.31 C ATOM 1469 CG2 VAL A 209 14.362 9.259 -1.659 1.00 75.13 C ATOM 0 H VAL A 209 11.895 10.221 -1.767 1.00 61.31 H new ATOM 0 HA VAL A 209 11.612 7.422 -2.653 1.00 75.20 H new ATOM 0 HB VAL A 209 14.066 7.280 -2.390 1.00 64.23 H new ATOM 0 HG11 VAL A 209 14.699 8.702 -4.296 1.00 65.31 H new ATOM 0 HG12 VAL A 209 13.147 7.876 -4.574 1.00 65.31 H new ATOM 0 HG13 VAL A 209 13.172 9.599 -4.129 1.00 65.31 H new ATOM 0 HG21 VAL A 209 15.394 9.317 -2.006 1.00 75.13 H new ATOM 0 HG22 VAL A 209 13.894 10.240 -1.744 1.00 75.13 H new ATOM 0 HG23 VAL A 209 14.347 8.939 -0.617 1.00 75.13 H new ATOM 1479 N ALA A 210 12.610 6.494 -0.337 1.00 44.03 N ATOM 1480 CA ALA A 210 12.649 5.943 1.012 1.00 44.33 C ATOM 1481 C ALA A 210 14.080 5.626 1.434 1.00 71.21 C ATOM 1482 O ALA A 210 14.866 5.099 0.648 1.00 65.41 O ATOM 1483 CB ALA A 210 11.782 4.696 1.098 1.00 64.02 C ATOM 0 H ALA A 210 12.994 5.879 -1.055 1.00 44.03 H new ATOM 0 HA ALA A 210 12.254 6.694 1.697 1.00 44.33 H new ATOM 0 HB1 ALA A 210 11.821 4.295 2.111 1.00 64.02 H new ATOM 0 HB2 ALA A 210 10.752 4.951 0.848 1.00 64.02 H new ATOM 0 HB3 ALA A 210 12.151 3.947 0.397 1.00 64.02 H new ATOM 1489 N ALA A 211 14.410 5.951 2.679 1.00 23.25 N ATOM 1490 CA ALA A 211 15.746 5.699 3.206 1.00 31.30 C ATOM 1491 C ALA A 211 15.732 4.554 4.214 1.00 53.32 C ATOM 1492 O ALA A 211 15.320 4.729 5.362 1.00 43.24 O ATOM 1493 CB ALA A 211 16.308 6.960 3.845 1.00 41.03 C ATOM 0 H ALA A 211 13.771 6.389 3.342 1.00 23.25 H new ATOM 0 HA ALA A 211 16.389 5.409 2.375 1.00 31.30 H new ATOM 0 HB1 ALA A 211 17.306 6.757 4.234 1.00 41.03 H new ATOM 0 HB2 ALA A 211 16.364 7.752 3.099 1.00 41.03 H new ATOM 0 HB3 ALA A 211 15.658 7.275 4.661 1.00 41.03 H new