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 143:sc= 0.645 USER MOD Set 1.2: A 204 HIS : no HE2:sc= -0.451 K(o=1.2,f=-2.8!) USER MOD Set 1.3: A 207 HIS : no HD1:sc= 1.05 K(o=1.2,f=-6.1) USER MOD Set 2.1: A 175 CYS SG : rot 153:sc= 0.178 USER MOD Set 2.2: A 178 HIS : no HD1:sc= -1.34 K(o=-0.15,f=0.41) USER MOD Set 2.3: A 195 CYS SG : rot -44:sc= 0.454 USER MOD Set 2.4: A 198 CYS SG : rot 54:sc= 0.557 USER MOD Set 3.1: A 134 CYS SG : rot 28:sc= 1.02 USER MOD Set 3.2: A 137 CYS SG : rot 93:sc= 0.0011 USER MOD Set 3.3: A 150 HIS : no HD1:sc= -0.735 K(o=0.29,f=-4.9!) USER MOD Set 3.4: A 159 HIS : no HE2:sc= 0.00357 K(o=0.29,f=-5.9!) USER MOD Set 4.1: A 133 THR OG1 : rot 104:sc= 0.115 USER MOD Set 4.2: A 140 SER OG : rot 56:sc= 0.392 USER MOD Set 5.1: A 119 CYS SG : rot -158:sc= 0.0981 USER MOD Set 5.2: A 122 CYS SG : rot 37:sc= 0.411 USER MOD Set 5.3: A 124 GLN : amide:sc= 0 X(o=1.2,f=1.1) USER MOD Set 5.4: A 128 GLN : amide:sc= 0 K(o=1.2,f=1.7) USER MOD Set 5.5: A 142 CYS SG : rot -136:sc= -0.252 USER MOD Set 5.6: A 145 CYS SG : rot -151:sc= 0.936 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 136 THR OG1 : rot 180:sc= 0.119 USER MOD Single : A 141 TYR OH : rot -60:sc= 3.33 USER MOD Single : A 147 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0258) USER MOD Single : A 149 THR OG1 : rot 180:sc= -0.0178 USER MOD Single : A 174 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 182 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 184 ASN : amide:sc= -0.341 X(o=-0.34,f=-0.17) USER MOD Single : A 185 MET CE :methyl -169:sc= 0 (180deg=-0.0162) USER MOD Single : A 186 TYR OH : rot -18:sc= -1.19 USER MOD Single : A 189 THR OG1 : rot 180:sc= 0 USER MOD Single : A 192 GLN : amide:sc= -0.0705 K(o=-0.071,f=-4.9!) 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=-0.4) USER MOD ----------------------------------------------------------------- ATOM 26 N LYS A 116 1.518 2.628 -4.894 1.00 21.34 N ATOM 27 CA LYS A 116 2.261 2.497 -6.141 1.00 70.05 C ATOM 28 C LYS A 116 1.513 3.163 -7.292 1.00 62.01 C ATOM 29 O LYS A 116 0.283 3.175 -7.322 1.00 35.52 O ATOM 30 CB LYS A 116 2.502 1.020 -6.463 1.00 4.40 C ATOM 31 CG LYS A 116 3.904 0.545 -6.122 1.00 21.13 C ATOM 32 CD LYS A 116 4.143 -0.877 -6.602 1.00 11.14 C ATOM 33 CE LYS A 116 5.252 -1.553 -5.810 1.00 75.51 C ATOM 34 NZ LYS A 116 5.937 -2.609 -6.606 1.00 40.34 N ATOM 0 HA LYS A 116 3.222 2.997 -6.017 1.00 70.05 H new ATOM 0 HB2 LYS A 116 1.779 0.415 -5.916 1.00 4.40 H new ATOM 0 HB3 LYS A 116 2.319 0.853 -7.525 1.00 4.40 H new ATOM 0 HG2 LYS A 116 4.636 1.212 -6.578 1.00 21.13 H new ATOM 0 HG3 LYS A 116 4.054 0.596 -5.044 1.00 21.13 H new ATOM 0 HD2 LYS A 116 3.223 -1.454 -6.507 1.00 11.14 H new ATOM 0 HD3 LYS A 116 4.405 -0.866 -7.660 1.00 11.14 H new ATOM 0 HE2 LYS A 116 5.980 -0.806 -5.495 1.00 75.51 H new ATOM 0 HE3 LYS A 116 4.835 -1.994 -4.905 1.00 75.51 H new ATOM 0 HZ1 LYS A 116 6.686 -3.046 -6.032 1.00 40.34 H new ATOM 0 HZ2 LYS A 116 5.247 -3.335 -6.886 1.00 40.34 H new ATOM 0 HZ3 LYS A 116 6.357 -2.184 -7.457 1.00 40.34 H new ATOM 48 N VAL A 117 2.265 3.716 -8.239 1.00 74.21 N ATOM 49 CA VAL A 117 1.673 4.381 -9.393 1.00 53.44 C ATOM 50 C VAL A 117 1.361 3.384 -10.503 1.00 33.51 C ATOM 51 O VAL A 117 2.177 2.519 -10.823 1.00 23.30 O ATOM 52 CB VAL A 117 2.604 5.476 -9.949 1.00 34.52 C ATOM 53 CG1 VAL A 117 3.870 4.859 -10.523 1.00 21.44 C ATOM 54 CG2 VAL A 117 1.882 6.306 -10.999 1.00 72.35 C ATOM 0 H VAL A 117 3.285 3.716 -8.229 1.00 74.21 H new ATOM 0 HA VAL A 117 0.746 4.841 -9.051 1.00 53.44 H new ATOM 0 HB VAL A 117 2.889 6.137 -9.130 1.00 34.52 H new ATOM 0 HG11 VAL A 117 4.515 5.647 -10.911 1.00 21.44 H new ATOM 0 HG12 VAL A 117 4.396 4.312 -9.740 1.00 21.44 H new ATOM 0 HG13 VAL A 117 3.608 4.175 -11.330 1.00 21.44 H new ATOM 0 HG21 VAL A 117 2.554 7.074 -11.381 1.00 72.35 H new ATOM 0 HG22 VAL A 117 1.566 5.661 -11.819 1.00 72.35 H new ATOM 0 HG23 VAL A 117 1.008 6.779 -10.551 1.00 72.35 H new ATOM 64 N LEU A 118 0.174 3.509 -11.087 1.00 44.03 N ATOM 65 CA LEU A 118 -0.247 2.618 -12.163 1.00 43.10 C ATOM 66 C LEU A 118 0.082 3.217 -13.527 1.00 1.54 C ATOM 67 O LEU A 118 -0.056 4.427 -13.702 1.00 1.23 O ATOM 68 CB LEU A 118 -1.748 2.340 -12.064 1.00 3.42 C ATOM 69 CG LEU A 118 -2.209 1.584 -10.818 1.00 34.13 C ATOM 70 CD1 LEU A 118 -3.599 2.040 -10.401 1.00 72.51 C ATOM 71 CD2 LEU A 118 -2.191 0.083 -11.068 1.00 23.04 C ATOM 0 H LEU A 118 -0.514 4.218 -10.834 1.00 44.03 H new ATOM 0 HA LEU A 118 0.298 1.680 -12.058 1.00 43.10 H new ATOM 0 HB2 LEU A 118 -2.277 3.292 -12.103 1.00 3.42 H new ATOM 0 HB3 LEU A 118 -2.051 1.771 -12.943 1.00 3.42 H new ATOM 0 HG LEU A 118 -1.517 1.805 -10.005 1.00 34.13 H new ATOM 0 HD11 LEU A 118 -3.911 1.491 -9.512 1.00 72.51 H new ATOM 0 HD12 LEU A 118 -3.581 3.107 -10.180 1.00 72.51 H new ATOM 0 HD13 LEU A 118 -4.303 1.849 -11.211 1.00 72.51 H new ATOM 0 HD21 LEU A 118 -2.522 -0.439 -10.170 1.00 23.04 H new ATOM 0 HD22 LEU A 118 -2.860 -0.156 -11.895 1.00 23.04 H new ATOM 0 HD23 LEU A 118 -1.178 -0.232 -11.318 1.00 23.04 H new ATOM 83 N CYS A 119 0.503 2.368 -14.452 1.00 41.45 N ATOM 84 CA CYS A 119 0.843 2.826 -15.789 1.00 3.52 C ATOM 85 C CYS A 119 -0.356 3.590 -16.355 1.00 3.24 C ATOM 86 O CYS A 119 -1.375 3.014 -16.734 1.00 1.11 O ATOM 87 CB CYS A 119 1.261 1.667 -16.695 1.00 74.32 C ATOM 88 SG CYS A 119 1.922 2.313 -18.274 1.00 42.22 S ATOM 0 H CYS A 119 0.617 1.365 -14.303 1.00 41.45 H new ATOM 0 HA CYS A 119 1.705 3.491 -15.740 1.00 3.52 H new ATOM 0 HB2 CYS A 119 2.016 1.059 -16.197 1.00 74.32 H new ATOM 0 HB3 CYS A 119 0.406 1.019 -16.887 1.00 74.32 H new ATOM 0 HG CYS A 119 1.845 1.390 -19.187 1.00 42.22 H new ATOM 93 N GLN A 120 -0.209 4.910 -16.403 1.00 10.34 N ATOM 94 CA GLN A 120 -1.263 5.777 -16.915 1.00 51.45 C ATOM 95 C GLN A 120 -1.504 5.522 -18.400 1.00 34.45 C ATOM 96 O GLN A 120 -2.590 5.785 -18.917 1.00 32.51 O ATOM 97 CB GLN A 120 -0.899 7.246 -16.692 1.00 24.05 C ATOM 98 CG GLN A 120 -2.101 8.137 -16.423 1.00 44.13 C ATOM 99 CD GLN A 120 -1.785 9.610 -16.594 1.00 61.15 C ATOM 100 OE1 GLN A 120 -0.620 10.003 -16.666 1.00 31.21 O ATOM 101 NE2 GLN A 120 -2.824 10.434 -16.662 1.00 3.44 N ATOM 0 H GLN A 120 0.629 5.402 -16.094 1.00 10.34 H new ATOM 0 HA GLN A 120 -2.180 5.550 -16.371 1.00 51.45 H new ATOM 0 HB2 GLN A 120 -0.209 7.317 -15.851 1.00 24.05 H new ATOM 0 HB3 GLN A 120 -0.371 7.618 -17.570 1.00 24.05 H new ATOM 0 HG2 GLN A 120 -2.911 7.862 -17.099 1.00 44.13 H new ATOM 0 HG3 GLN A 120 -2.459 7.961 -15.409 1.00 44.13 H new ATOM 0 HE21 GLN A 120 -3.773 10.065 -16.598 1.00 3.44 H new ATOM 0 HE22 GLN A 120 -2.673 11.436 -16.778 1.00 3.44 H new ATOM 110 N PHE A 121 -0.485 5.008 -19.080 1.00 21.23 N ATOM 111 CA PHE A 121 -0.586 4.718 -20.505 1.00 63.33 C ATOM 112 C PHE A 121 -0.833 3.231 -20.742 1.00 23.45 C ATOM 113 O PHE A 121 -0.274 2.669 -21.682 1.00 63.51 O ATOM 114 CB PHE A 121 0.690 5.155 -21.228 1.00 1.42 C ATOM 115 CG PHE A 121 0.680 6.600 -21.639 1.00 63.14 C ATOM 116 CD1 PHE A 121 0.257 7.582 -20.759 1.00 13.04 C ATOM 117 CD2 PHE A 121 1.095 6.976 -22.907 1.00 22.42 C ATOM 118 CE1 PHE A 121 0.246 8.912 -21.135 1.00 60.33 C ATOM 119 CE2 PHE A 121 1.087 8.304 -23.289 1.00 21.00 C ATOM 120 CZ PHE A 121 0.663 9.273 -22.401 1.00 51.35 C ATOM 0 H PHE A 121 0.420 4.784 -18.667 1.00 21.23 H new ATOM 0 HA PHE A 121 -1.432 5.277 -20.904 1.00 63.33 H new ATOM 0 HB2 PHE A 121 1.546 4.976 -20.578 1.00 1.42 H new ATOM 0 HB3 PHE A 121 0.827 4.534 -22.113 1.00 1.42 H new ATOM 0 HD1 PHE A 121 -0.068 7.305 -19.767 1.00 13.04 H new ATOM 0 HD2 PHE A 121 1.429 6.222 -23.605 1.00 22.42 H new ATOM 0 HE1 PHE A 121 -0.088 9.668 -20.440 1.00 60.33 H new ATOM 0 HE2 PHE A 121 1.412 8.584 -24.280 1.00 21.00 H new ATOM 0 HZ PHE A 121 0.658 10.312 -22.696 1.00 51.35 H new ATOM 130 N CYS A 122 -1.655 2.633 -19.892 1.00 12.12 N ATOM 131 CA CYS A 122 -1.964 1.219 -20.018 1.00 72.05 C ATOM 132 C CYS A 122 -3.455 1.079 -20.334 1.00 43.55 C ATOM 133 O CYS A 122 -4.294 1.855 -19.877 1.00 51.21 O ATOM 134 CB CYS A 122 -1.572 0.439 -18.762 1.00 2.42 C ATOM 135 SG CYS A 122 -0.242 -0.755 -19.156 1.00 12.32 S ATOM 0 H CYS A 122 -2.117 3.102 -19.113 1.00 12.12 H new ATOM 0 HA CYS A 122 -1.379 0.788 -20.830 1.00 72.05 H new ATOM 0 HB2 CYS A 122 -1.236 1.127 -17.987 1.00 2.42 H new ATOM 0 HB3 CYS A 122 -2.440 -0.088 -18.366 1.00 2.42 H new ATOM 0 HG CYS A 122 0.566 -0.232 -20.030 1.00 12.32 H new ATOM 140 N ASP A 123 -3.767 0.065 -21.133 1.00 63.03 N ATOM 141 CA ASP A 123 -5.145 -0.202 -21.527 1.00 32.30 C ATOM 142 C ASP A 123 -5.501 -1.668 -21.300 1.00 65.41 C ATOM 143 O ASP A 123 -6.192 -2.282 -22.113 1.00 1.42 O ATOM 144 CB ASP A 123 -5.359 0.166 -22.996 1.00 71.30 C ATOM 145 CG ASP A 123 -6.789 0.575 -23.288 1.00 12.41 C ATOM 146 OD1 ASP A 123 -7.702 0.072 -22.601 1.00 72.41 O ATOM 147 OD2 ASP A 123 -6.996 1.399 -24.204 1.00 4.22 O ATOM 0 H ASP A 123 -3.084 -0.586 -21.521 1.00 63.03 H new ATOM 0 HA ASP A 123 -5.799 0.412 -20.908 1.00 32.30 H new ATOM 0 HB2 ASP A 123 -4.689 0.983 -23.264 1.00 71.30 H new ATOM 0 HB3 ASP A 123 -5.092 -0.685 -23.623 1.00 71.30 H new ATOM 152 N GLN A 124 -5.022 -2.223 -20.191 1.00 60.32 N ATOM 153 CA GLN A 124 -5.288 -3.618 -19.859 1.00 51.11 C ATOM 154 C GLN A 124 -6.627 -3.761 -19.143 1.00 21.01 C ATOM 155 O GLN A 124 -7.458 -4.588 -19.519 1.00 22.12 O ATOM 156 CB GLN A 124 -4.166 -4.179 -18.984 1.00 63.03 C ATOM 157 CG GLN A 124 -3.028 -4.800 -19.779 1.00 32.45 C ATOM 158 CD GLN A 124 -1.820 -5.115 -18.919 1.00 2.22 C ATOM 159 OE1 GLN A 124 -1.130 -4.212 -18.443 1.00 34.32 O ATOM 160 NE2 GLN A 124 -1.556 -6.400 -18.715 1.00 33.21 N ATOM 0 H GLN A 124 -4.448 -1.729 -19.508 1.00 60.32 H new ATOM 0 HA GLN A 124 -5.331 -4.185 -20.789 1.00 51.11 H new ATOM 0 HB2 GLN A 124 -3.768 -3.379 -18.360 1.00 63.03 H new ATOM 0 HB3 GLN A 124 -4.581 -4.930 -18.312 1.00 63.03 H new ATOM 0 HG2 GLN A 124 -3.379 -5.716 -20.255 1.00 32.45 H new ATOM 0 HG3 GLN A 124 -2.733 -4.119 -20.577 1.00 32.45 H new ATOM 0 HE21 GLN A 124 -2.154 -7.115 -19.128 1.00 33.21 H new ATOM 0 HE22 GLN A 124 -0.755 -6.672 -18.145 1.00 33.21 H new ATOM 169 N ASP A 125 -6.829 -2.951 -18.110 1.00 10.22 N ATOM 170 CA ASP A 125 -8.068 -2.987 -17.341 1.00 4.41 C ATOM 171 C ASP A 125 -8.287 -4.366 -16.728 1.00 71.20 C ATOM 172 O ASP A 125 -8.938 -5.234 -17.310 1.00 33.35 O ATOM 173 CB ASP A 125 -9.256 -2.615 -18.230 1.00 4.24 C ATOM 174 CG ASP A 125 -10.466 -2.179 -17.427 1.00 25.55 C ATOM 175 OD1 ASP A 125 -10.412 -2.260 -16.181 1.00 42.02 O ATOM 176 OD2 ASP A 125 -11.466 -1.757 -18.043 1.00 62.52 O ATOM 0 H ASP A 125 -6.151 -2.261 -17.786 1.00 10.22 H new ATOM 0 HA ASP A 125 -7.987 -2.259 -16.533 1.00 4.41 H new ATOM 0 HB2 ASP A 125 -8.963 -1.811 -18.905 1.00 4.24 H new ATOM 0 HB3 ASP A 125 -9.524 -3.470 -18.850 1.00 4.24 H new ATOM 181 N PRO A 126 -7.731 -4.575 -15.526 1.00 25.43 N ATOM 182 CA PRO A 126 -6.953 -3.550 -14.824 1.00 42.32 C ATOM 183 C PRO A 126 -5.616 -3.270 -15.503 1.00 74.22 C ATOM 184 O PRO A 126 -5.110 -4.097 -16.261 1.00 43.31 O ATOM 185 CB PRO A 126 -6.731 -4.159 -13.438 1.00 31.23 C ATOM 186 CG PRO A 126 -6.818 -5.631 -13.652 1.00 52.25 C ATOM 187 CD PRO A 126 -7.817 -5.829 -14.759 1.00 31.42 C ATOM 0 HA PRO A 126 -7.469 -2.590 -14.805 1.00 42.32 H new ATOM 0 HB2 PRO A 126 -5.760 -3.875 -13.032 1.00 31.23 H new ATOM 0 HB3 PRO A 126 -7.486 -3.817 -12.730 1.00 31.23 H new ATOM 0 HG2 PRO A 126 -5.847 -6.044 -13.924 1.00 52.25 H new ATOM 0 HG3 PRO A 126 -7.137 -6.140 -12.742 1.00 52.25 H new ATOM 0 HD2 PRO A 126 -7.569 -6.694 -15.374 1.00 31.42 H new ATOM 0 HD3 PRO A 126 -8.821 -5.993 -14.369 1.00 31.42 H new ATOM 195 N ALA A 127 -5.050 -2.100 -15.226 1.00 32.33 N ATOM 196 CA ALA A 127 -3.771 -1.713 -15.808 1.00 72.40 C ATOM 197 C ALA A 127 -2.612 -2.106 -14.898 1.00 34.21 C ATOM 198 O ALA A 127 -2.776 -2.217 -13.683 1.00 51.23 O ATOM 199 CB ALA A 127 -3.747 -0.217 -16.081 1.00 4.31 C ATOM 0 H ALA A 127 -5.457 -1.404 -14.602 1.00 32.33 H new ATOM 0 HA ALA A 127 -3.653 -2.245 -16.752 1.00 72.40 H new ATOM 0 HB1 ALA A 127 -2.786 0.058 -16.516 1.00 4.31 H new ATOM 0 HB2 ALA A 127 -4.546 0.039 -16.777 1.00 4.31 H new ATOM 0 HB3 ALA A 127 -3.891 0.326 -15.147 1.00 4.31 H new ATOM 205 N GLN A 128 -1.443 -2.316 -15.494 1.00 30.23 N ATOM 206 CA GLN A 128 -0.258 -2.698 -14.735 1.00 64.34 C ATOM 207 C GLN A 128 0.381 -1.482 -14.074 1.00 43.53 C ATOM 208 O GLN A 128 -0.096 -0.357 -14.228 1.00 34.25 O ATOM 209 CB GLN A 128 0.757 -3.389 -15.648 1.00 71.14 C ATOM 210 CG GLN A 128 0.761 -4.904 -15.517 1.00 51.44 C ATOM 211 CD GLN A 128 1.754 -5.567 -16.451 1.00 21.43 C ATOM 212 OE1 GLN A 128 1.563 -5.587 -17.667 1.00 31.40 O ATOM 213 NE2 GLN A 128 2.823 -6.116 -15.885 1.00 42.41 N ATOM 0 H GLN A 128 -1.291 -2.228 -16.499 1.00 30.23 H new ATOM 0 HA GLN A 128 -0.566 -3.393 -13.954 1.00 64.34 H new ATOM 0 HB2 GLN A 128 0.542 -3.123 -16.683 1.00 71.14 H new ATOM 0 HB3 GLN A 128 1.754 -3.010 -15.421 1.00 71.14 H new ATOM 0 HG2 GLN A 128 0.998 -5.175 -14.488 1.00 51.44 H new ATOM 0 HG3 GLN A 128 -0.239 -5.286 -15.725 1.00 51.44 H new ATOM 0 HE21 GLN A 128 2.941 -6.076 -14.873 1.00 42.41 H new ATOM 0 HE22 GLN A 128 3.526 -6.577 -16.463 1.00 42.41 H new ATOM 222 N ASP A 129 1.463 -1.714 -13.339 1.00 10.10 N ATOM 223 CA ASP A 129 2.168 -0.636 -12.655 1.00 22.44 C ATOM 224 C ASP A 129 3.441 -0.258 -13.405 1.00 4.32 C ATOM 225 O ASP A 129 3.991 -1.060 -14.159 1.00 54.35 O ATOM 226 CB ASP A 129 2.509 -1.050 -11.222 1.00 64.43 C ATOM 227 CG ASP A 129 3.685 -2.006 -11.160 1.00 52.03 C ATOM 228 OD1 ASP A 129 3.490 -3.205 -11.451 1.00 3.42 O ATOM 229 OD2 ASP A 129 4.799 -1.555 -10.820 1.00 60.35 O ATOM 0 H ASP A 129 1.871 -2.639 -13.202 1.00 10.10 H new ATOM 0 HA ASP A 129 1.512 0.234 -12.627 1.00 22.44 H new ATOM 0 HB2 ASP A 129 2.736 -0.161 -10.634 1.00 64.43 H new ATOM 0 HB3 ASP A 129 1.638 -1.520 -10.766 1.00 64.43 H new ATOM 234 N ALA A 130 3.904 0.970 -13.193 1.00 23.25 N ATOM 235 CA ALA A 130 5.113 1.454 -13.848 1.00 12.43 C ATOM 236 C ALA A 130 6.358 1.071 -13.055 1.00 41.43 C ATOM 237 O ALA A 130 6.504 1.443 -11.891 1.00 30.03 O ATOM 238 CB ALA A 130 5.045 2.963 -14.031 1.00 50.30 C ATOM 0 H ALA A 130 3.460 1.647 -12.573 1.00 23.25 H new ATOM 0 HA ALA A 130 5.180 0.982 -14.828 1.00 12.43 H new ATOM 0 HB1 ALA A 130 5.954 3.311 -14.521 1.00 50.30 H new ATOM 0 HB2 ALA A 130 4.181 3.216 -14.646 1.00 50.30 H new ATOM 0 HB3 ALA A 130 4.951 3.444 -13.057 1.00 50.30 H new ATOM 244 N VAL A 131 7.254 0.325 -13.694 1.00 1.32 N ATOM 245 CA VAL A 131 8.488 -0.108 -13.048 1.00 54.04 C ATOM 246 C VAL A 131 9.699 0.596 -13.649 1.00 51.14 C ATOM 247 O VAL A 131 10.706 0.809 -12.974 1.00 21.30 O ATOM 248 CB VAL A 131 8.680 -1.631 -13.171 1.00 30.23 C ATOM 249 CG1 VAL A 131 7.481 -2.369 -12.595 1.00 21.05 C ATOM 250 CG2 VAL A 131 8.911 -2.024 -14.622 1.00 52.22 C ATOM 0 H VAL A 131 7.149 0.008 -14.658 1.00 1.32 H new ATOM 0 HA VAL A 131 8.404 0.157 -11.994 1.00 54.04 H new ATOM 0 HB VAL A 131 9.562 -1.915 -12.597 1.00 30.23 H new ATOM 0 HG11 VAL A 131 7.635 -3.444 -12.691 1.00 21.05 H new ATOM 0 HG12 VAL A 131 7.367 -2.111 -11.542 1.00 21.05 H new ATOM 0 HG13 VAL A 131 6.581 -2.081 -13.139 1.00 21.05 H new ATOM 0 HG21 VAL A 131 9.045 -3.104 -14.690 1.00 52.22 H new ATOM 0 HG22 VAL A 131 8.050 -1.727 -15.221 1.00 52.22 H new ATOM 0 HG23 VAL A 131 9.804 -1.524 -14.997 1.00 52.22 H new ATOM 260 N LYS A 132 9.594 0.957 -14.924 1.00 25.11 N ATOM 261 CA LYS A 132 10.680 1.639 -15.618 1.00 1.42 C ATOM 262 C LYS A 132 10.354 3.116 -15.819 1.00 22.11 C ATOM 263 O LYS A 132 9.199 3.529 -15.708 1.00 61.51 O ATOM 264 CB LYS A 132 10.945 0.976 -16.971 1.00 71.21 C ATOM 265 CG LYS A 132 12.003 -0.113 -16.918 1.00 54.01 C ATOM 266 CD LYS A 132 12.337 -0.634 -18.306 1.00 0.41 C ATOM 267 CE LYS A 132 13.563 -1.534 -18.283 1.00 50.41 C ATOM 268 NZ LYS A 132 14.827 -0.752 -18.378 1.00 11.12 N ATOM 0 H LYS A 132 8.767 0.788 -15.497 1.00 25.11 H new ATOM 0 HA LYS A 132 11.576 1.563 -15.002 1.00 1.42 H new ATOM 0 HB2 LYS A 132 10.015 0.549 -17.345 1.00 71.21 H new ATOM 0 HB3 LYS A 132 11.256 1.739 -17.685 1.00 71.21 H new ATOM 0 HG2 LYS A 132 12.906 0.278 -16.448 1.00 54.01 H new ATOM 0 HG3 LYS A 132 11.650 -0.935 -16.295 1.00 54.01 H new ATOM 0 HD2 LYS A 132 11.486 -1.187 -18.703 1.00 0.41 H new ATOM 0 HD3 LYS A 132 12.513 0.206 -18.978 1.00 0.41 H new ATOM 0 HE2 LYS A 132 13.566 -2.120 -17.364 1.00 50.41 H new ATOM 0 HE3 LYS A 132 13.510 -2.241 -19.111 1.00 50.41 H new ATOM 0 HZ1 LYS A 132 15.639 -1.401 -18.359 1.00 11.12 H new ATOM 0 HZ2 LYS A 132 14.836 -0.213 -19.267 1.00 11.12 H new ATOM 0 HZ3 LYS A 132 14.890 -0.095 -17.574 1.00 11.12 H new ATOM 282 N THR A 133 11.379 3.909 -16.117 1.00 22.54 N ATOM 283 CA THR A 133 11.202 5.339 -16.334 1.00 35.34 C ATOM 284 C THR A 133 12.310 5.903 -17.215 1.00 71.10 C ATOM 285 O THR A 133 13.483 5.657 -16.938 1.00 11.42 O ATOM 286 CB THR A 133 11.178 6.110 -15.001 1.00 1.52 C ATOM 287 OG1 THR A 133 10.149 5.591 -14.152 1.00 20.44 O ATOM 288 CG2 THR A 133 10.944 7.595 -15.239 1.00 25.31 C ATOM 0 H THR A 133 12.341 3.584 -16.214 1.00 22.54 H new ATOM 0 HA THR A 133 10.243 5.466 -16.836 1.00 35.34 H new ATOM 0 HB THR A 133 12.146 5.983 -14.517 1.00 1.52 H new ATOM 0 HG1 THR A 133 10.551 5.033 -13.454 1.00 20.44 H new ATOM 0 HG21 THR A 133 10.931 8.119 -14.283 1.00 25.31 H new ATOM 0 HG22 THR A 133 11.745 7.994 -15.861 1.00 25.31 H new ATOM 0 HG23 THR A 133 9.988 7.736 -15.743 1.00 25.31 H new ATOM 296 N CYS A 134 11.921 6.639 -18.246 1.00 34.13 N ATOM 297 CA CYS A 134 12.890 7.228 -19.153 1.00 43.31 C ATOM 298 C CYS A 134 13.128 8.678 -18.726 1.00 43.12 C ATOM 299 O CYS A 134 12.203 9.425 -18.407 1.00 4.21 O ATOM 300 CB CYS A 134 12.434 7.130 -20.610 1.00 62.03 C ATOM 301 SG CYS A 134 13.642 7.966 -21.702 1.00 21.31 S ATOM 0 H CYS A 134 10.947 6.841 -18.473 1.00 34.13 H new ATOM 0 HA CYS A 134 13.827 6.675 -19.097 1.00 43.31 H new ATOM 0 HB2 CYS A 134 12.334 6.084 -20.899 1.00 62.03 H new ATOM 0 HB3 CYS A 134 11.451 7.588 -20.724 1.00 62.03 H new ATOM 0 HG CYS A 134 14.822 7.921 -21.159 1.00 21.31 H new ATOM 306 N VAL A 135 14.401 9.063 -18.728 1.00 32.53 N ATOM 307 CA VAL A 135 14.791 10.415 -18.347 1.00 25.42 C ATOM 308 C VAL A 135 14.494 11.408 -19.464 1.00 52.03 C ATOM 309 O VAL A 135 13.823 12.418 -19.250 1.00 51.43 O ATOM 310 CB VAL A 135 16.289 10.488 -17.995 1.00 42.00 C ATOM 311 CG1 VAL A 135 16.632 11.844 -17.398 1.00 13.34 C ATOM 312 CG2 VAL A 135 16.668 9.365 -17.041 1.00 54.20 C ATOM 0 H VAL A 135 15.179 8.457 -18.989 1.00 32.53 H new ATOM 0 HA VAL A 135 14.205 10.678 -17.466 1.00 25.42 H new ATOM 0 HB VAL A 135 16.866 10.365 -18.912 1.00 42.00 H new ATOM 0 HG11 VAL A 135 17.694 11.877 -17.156 1.00 13.34 H new ATOM 0 HG12 VAL A 135 16.400 12.628 -18.119 1.00 13.34 H new ATOM 0 HG13 VAL A 135 16.048 12.000 -16.491 1.00 13.34 H new ATOM 0 HG21 VAL A 135 17.730 9.432 -16.803 1.00 54.20 H new ATOM 0 HG22 VAL A 135 16.085 9.454 -16.125 1.00 54.20 H new ATOM 0 HG23 VAL A 135 16.462 8.403 -17.511 1.00 54.20 H new ATOM 322 N THR A 136 14.997 11.114 -20.659 1.00 40.53 N ATOM 323 CA THR A 136 14.786 11.982 -21.811 1.00 60.35 C ATOM 324 C THR A 136 13.300 12.219 -22.056 1.00 43.30 C ATOM 325 O THR A 136 12.944 13.227 -22.665 1.00 64.12 O ATOM 326 CB THR A 136 15.416 11.387 -23.085 1.00 74.22 C ATOM 327 OG1 THR A 136 16.581 10.626 -22.746 1.00 75.05 O ATOM 328 CG2 THR A 136 15.790 12.486 -24.068 1.00 73.11 C ATOM 0 H THR A 136 15.553 10.282 -20.854 1.00 40.53 H new ATOM 0 HA THR A 136 15.270 12.932 -21.584 1.00 60.35 H new ATOM 0 HB THR A 136 14.681 10.735 -23.557 1.00 74.22 H new ATOM 0 HG1 THR A 136 16.975 10.250 -23.561 1.00 75.05 H new ATOM 0 HG21 THR A 136 16.233 12.042 -24.959 1.00 73.11 H new ATOM 0 HG22 THR A 136 14.896 13.044 -24.347 1.00 73.11 H new ATOM 0 HG23 THR A 136 16.509 13.160 -23.603 1.00 73.11 H new ATOM 336 N CYS A 137 12.474 11.298 -21.581 1.00 43.44 N ATOM 337 CA CYS A 137 11.037 11.421 -21.755 1.00 40.32 C ATOM 338 C CYS A 137 10.452 12.052 -20.490 1.00 23.23 C ATOM 339 O CYS A 137 9.461 12.781 -20.523 1.00 25.40 O ATOM 340 CB CYS A 137 10.388 10.072 -22.073 1.00 2.52 C ATOM 341 SG CYS A 137 10.840 9.544 -23.766 1.00 20.14 S ATOM 0 H CYS A 137 12.773 10.464 -21.076 1.00 43.44 H new ATOM 0 HA CYS A 137 10.825 12.062 -22.611 1.00 40.32 H new ATOM 0 HB2 CYS A 137 10.713 9.323 -21.351 1.00 2.52 H new ATOM 0 HB3 CYS A 137 9.304 10.151 -21.985 1.00 2.52 H new ATOM 0 HG CYS A 137 11.901 8.794 -23.718 1.00 20.14 H new ATOM 346 N GLU A 138 11.094 11.752 -19.365 1.00 10.14 N ATOM 347 CA GLU A 138 10.658 12.275 -18.075 1.00 43.11 C ATOM 348 C GLU A 138 9.274 11.746 -17.713 1.00 34.30 C ATOM 349 O GLU A 138 8.433 12.479 -17.193 1.00 13.02 O ATOM 350 CB GLU A 138 10.641 13.805 -18.100 1.00 21.15 C ATOM 351 CG GLU A 138 11.042 14.439 -16.778 1.00 42.34 C ATOM 352 CD GLU A 138 10.677 15.909 -16.702 1.00 52.03 C ATOM 353 OE1 GLU A 138 9.527 16.216 -16.324 1.00 3.41 O ATOM 354 OE2 GLU A 138 11.542 16.752 -17.021 1.00 75.13 O ATOM 0 H GLU A 138 11.917 11.150 -19.321 1.00 10.14 H new ATOM 0 HA GLU A 138 11.366 11.939 -17.317 1.00 43.11 H new ATOM 0 HB2 GLU A 138 11.316 14.155 -18.881 1.00 21.15 H new ATOM 0 HB3 GLU A 138 9.641 14.145 -18.368 1.00 21.15 H new ATOM 0 HG2 GLU A 138 10.556 13.905 -15.961 1.00 42.34 H new ATOM 0 HG3 GLU A 138 12.117 14.328 -16.637 1.00 42.34 H new ATOM 361 N VAL A 139 9.044 10.467 -17.993 1.00 32.43 N ATOM 362 CA VAL A 139 7.762 9.838 -17.697 1.00 22.44 C ATOM 363 C VAL A 139 7.957 8.464 -17.065 1.00 61.45 C ATOM 364 O VAL A 139 8.950 7.784 -17.327 1.00 55.12 O ATOM 365 CB VAL A 139 6.903 9.690 -18.966 1.00 72.03 C ATOM 366 CG1 VAL A 139 5.483 9.281 -18.606 1.00 31.34 C ATOM 367 CG2 VAL A 139 6.907 10.984 -19.765 1.00 53.52 C ATOM 0 H VAL A 139 9.729 9.846 -18.424 1.00 32.43 H new ATOM 0 HA VAL A 139 7.245 10.489 -16.992 1.00 22.44 H new ATOM 0 HB VAL A 139 7.335 8.905 -19.586 1.00 72.03 H new ATOM 0 HG11 VAL A 139 4.891 9.181 -19.516 1.00 31.34 H new ATOM 0 HG12 VAL A 139 5.502 8.327 -18.079 1.00 31.34 H new ATOM 0 HG13 VAL A 139 5.037 10.041 -17.965 1.00 31.34 H new ATOM 0 HG21 VAL A 139 6.295 10.862 -20.659 1.00 53.52 H new ATOM 0 HG22 VAL A 139 6.500 11.790 -19.154 1.00 53.52 H new ATOM 0 HG23 VAL A 139 7.929 11.229 -20.056 1.00 53.52 H new ATOM 377 N SER A 140 7.003 8.060 -16.233 1.00 12.21 N ATOM 378 CA SER A 140 7.071 6.768 -15.561 1.00 73.30 C ATOM 379 C SER A 140 6.042 5.801 -16.139 1.00 32.55 C ATOM 380 O SER A 140 4.841 5.940 -15.903 1.00 43.22 O ATOM 381 CB SER A 140 6.840 6.938 -14.058 1.00 64.31 C ATOM 382 OG SER A 140 7.288 5.800 -13.342 1.00 34.32 O ATOM 0 H SER A 140 6.173 8.609 -16.008 1.00 12.21 H new ATOM 0 HA SER A 140 8.066 6.353 -15.724 1.00 73.30 H new ATOM 0 HB2 SER A 140 7.366 7.825 -13.704 1.00 64.31 H new ATOM 0 HB3 SER A 140 5.779 7.098 -13.866 1.00 64.31 H new ATOM 0 HG SER A 140 8.229 5.630 -13.554 1.00 34.32 H new ATOM 388 N TYR A 141 6.521 4.820 -16.896 1.00 30.14 N ATOM 389 CA TYR A 141 5.644 3.830 -17.510 1.00 11.14 C ATOM 390 C TYR A 141 6.029 2.418 -17.078 1.00 2.41 C ATOM 391 O TYR A 141 6.973 2.260 -16.306 1.00 4.14 O ATOM 392 CB TYR A 141 5.701 3.943 -19.034 1.00 22.21 C ATOM 393 CG TYR A 141 5.022 5.180 -19.576 1.00 1.44 C ATOM 394 CD1 TYR A 141 3.799 5.603 -19.070 1.00 50.33 C ATOM 395 CD2 TYR A 141 5.604 5.927 -20.592 1.00 45.43 C ATOM 396 CE1 TYR A 141 3.175 6.733 -19.563 1.00 32.12 C ATOM 397 CE2 TYR A 141 4.988 7.059 -21.090 1.00 1.21 C ATOM 398 CZ TYR A 141 3.773 7.458 -20.572 1.00 63.43 C ATOM 399 OH TYR A 141 3.155 8.584 -21.065 1.00 3.23 O ATOM 0 H TYR A 141 7.512 4.689 -17.099 1.00 30.14 H new ATOM 0 HA TYR A 141 4.625 4.027 -17.176 1.00 11.14 H new ATOM 0 HB2 TYR A 141 6.744 3.943 -19.351 1.00 22.21 H new ATOM 0 HB3 TYR A 141 5.234 3.061 -19.473 1.00 22.21 H new ATOM 0 HD1 TYR A 141 3.328 5.039 -18.278 1.00 50.33 H new ATOM 0 HD2 TYR A 141 6.555 5.618 -21.000 1.00 45.43 H new ATOM 0 HE1 TYR A 141 2.223 7.047 -19.160 1.00 32.12 H new ATOM 0 HE2 TYR A 141 5.455 7.628 -21.880 1.00 1.21 H new ATOM 0 HH TYR A 141 2.282 8.341 -21.437 1.00 3.23 H new ATOM 409 N CYS A 142 5.298 1.435 -17.581 1.00 62.40 N ATOM 410 CA CYS A 142 5.573 0.049 -17.241 1.00 70.24 C ATOM 411 C CYS A 142 6.435 -0.556 -18.351 1.00 44.20 C ATOM 412 O CYS A 142 6.527 -0.036 -19.463 1.00 54.22 O ATOM 413 CB CYS A 142 4.284 -0.746 -17.023 1.00 22.31 C ATOM 414 SG CYS A 142 3.539 -1.185 -18.635 1.00 75.14 S ATOM 0 H CYS A 142 4.516 1.570 -18.221 1.00 62.40 H new ATOM 0 HA CYS A 142 6.115 0.004 -16.296 1.00 70.24 H new ATOM 0 HB2 CYS A 142 4.497 -1.650 -16.453 1.00 22.31 H new ATOM 0 HB3 CYS A 142 3.579 -0.158 -16.436 1.00 22.31 H new ATOM 0 HG CYS A 142 2.258 -0.966 -18.595 1.00 75.14 H new ATOM 419 N ASP A 143 7.071 -1.675 -18.021 1.00 51.24 N ATOM 420 CA ASP A 143 7.931 -2.373 -18.969 1.00 62.25 C ATOM 421 C ASP A 143 7.179 -2.683 -20.260 1.00 51.40 C ATOM 422 O ASP A 143 7.726 -2.552 -21.354 1.00 51.34 O ATOM 423 CB ASP A 143 8.462 -3.668 -18.351 1.00 42.53 C ATOM 424 CG ASP A 143 9.681 -4.200 -19.080 1.00 14.32 C ATOM 425 OD1 ASP A 143 10.687 -3.466 -19.168 1.00 4.42 O ATOM 426 OD2 ASP A 143 9.628 -5.351 -19.561 1.00 51.41 O ATOM 0 H ASP A 143 7.007 -2.118 -17.104 1.00 51.24 H new ATOM 0 HA ASP A 143 8.771 -1.721 -19.207 1.00 62.25 H new ATOM 0 HB2 ASP A 143 8.716 -3.491 -17.306 1.00 42.53 H new ATOM 0 HB3 ASP A 143 7.676 -4.423 -18.365 1.00 42.53 H new ATOM 431 N GLU A 144 5.922 -3.094 -20.123 1.00 24.34 N ATOM 432 CA GLU A 144 5.097 -3.424 -21.278 1.00 54.02 C ATOM 433 C GLU A 144 5.156 -2.314 -22.324 1.00 14.14 C ATOM 434 O GLU A 144 5.660 -2.546 -23.421 1.00 51.24 O ATOM 435 CB GLU A 144 3.647 -3.657 -20.847 1.00 60.13 C ATOM 436 CG GLU A 144 3.028 -4.909 -21.445 1.00 61.35 C ATOM 437 CD GLU A 144 1.567 -4.723 -21.805 1.00 33.24 C ATOM 438 OE1 GLU A 144 0.736 -4.631 -20.877 1.00 15.10 O ATOM 439 OE2 GLU A 144 1.254 -4.670 -23.012 1.00 60.23 O ATOM 0 H GLU A 144 5.454 -3.206 -19.224 1.00 24.34 H new ATOM 0 HA GLU A 144 5.488 -4.339 -21.722 1.00 54.02 H new ATOM 0 HB2 GLU A 144 3.607 -3.726 -19.760 1.00 60.13 H new ATOM 0 HB3 GLU A 144 3.048 -2.793 -21.134 1.00 60.13 H new ATOM 0 HG2 GLU A 144 3.585 -5.194 -22.338 1.00 61.35 H new ATOM 0 HG3 GLU A 144 3.122 -5.731 -20.735 1.00 61.35 H new ATOM 446 N CYS A 145 4.644 -1.146 -21.964 1.00 43.44 N ATOM 447 CA CYS A 145 4.645 -0.016 -22.878 1.00 54.22 C ATOM 448 C CYS A 145 6.096 0.325 -23.220 1.00 64.01 C ATOM 449 O CYS A 145 6.445 0.628 -24.362 1.00 70.52 O ATOM 450 CB CYS A 145 3.899 1.185 -22.293 1.00 0.31 C ATOM 451 SG CYS A 145 2.231 0.677 -21.738 1.00 71.31 S ATOM 0 H CYS A 145 4.226 -0.958 -21.053 1.00 43.44 H new ATOM 0 HA CYS A 145 4.111 -0.283 -23.790 1.00 54.22 H new ATOM 0 HB2 CYS A 145 4.460 1.599 -21.455 1.00 0.31 H new ATOM 0 HB3 CYS A 145 3.818 1.973 -23.042 1.00 0.31 H new ATOM 0 HG CYS A 145 1.419 1.689 -21.821 1.00 71.31 H new ATOM 456 N LEU A 146 6.942 0.269 -22.197 1.00 41.13 N ATOM 457 CA LEU A 146 8.361 0.566 -22.360 1.00 50.45 C ATOM 458 C LEU A 146 8.951 -0.220 -23.526 1.00 45.15 C ATOM 459 O LEU A 146 9.911 0.218 -24.162 1.00 72.53 O ATOM 460 CB LEU A 146 9.122 0.241 -21.074 1.00 13.21 C ATOM 461 CG LEU A 146 10.552 0.775 -20.987 1.00 11.15 C ATOM 462 CD1 LEU A 146 11.497 -0.094 -21.802 1.00 12.02 C ATOM 463 CD2 LEU A 146 10.611 2.220 -21.460 1.00 5.25 C ATOM 0 H LEU A 146 6.670 0.021 -21.246 1.00 41.13 H new ATOM 0 HA LEU A 146 8.462 1.630 -22.575 1.00 50.45 H new ATOM 0 HB2 LEU A 146 8.556 0.637 -20.231 1.00 13.21 H new ATOM 0 HB3 LEU A 146 9.152 -0.842 -20.957 1.00 13.21 H new ATOM 0 HG LEU A 146 10.869 0.742 -19.945 1.00 11.15 H new ATOM 0 HD11 LEU A 146 12.510 0.302 -21.728 1.00 12.02 H new ATOM 0 HD12 LEU A 146 11.477 -1.114 -21.417 1.00 12.02 H new ATOM 0 HD13 LEU A 146 11.183 -0.094 -22.846 1.00 12.02 H new ATOM 0 HD21 LEU A 146 11.636 2.584 -21.391 1.00 5.25 H new ATOM 0 HD22 LEU A 146 10.274 2.278 -22.495 1.00 5.25 H new ATOM 0 HD23 LEU A 146 9.965 2.835 -20.833 1.00 5.25 H new ATOM 475 N LYS A 147 8.371 -1.382 -23.804 1.00 32.42 N ATOM 476 CA LYS A 147 8.836 -2.229 -24.896 1.00 21.55 C ATOM 477 C LYS A 147 8.322 -1.719 -26.238 1.00 14.14 C ATOM 478 O LYS A 147 9.066 -1.658 -27.216 1.00 32.12 O ATOM 479 CB LYS A 147 8.379 -3.674 -24.678 1.00 41.22 C ATOM 480 CG LYS A 147 9.080 -4.676 -25.580 1.00 13.43 C ATOM 481 CD LYS A 147 8.287 -5.966 -25.702 1.00 14.14 C ATOM 482 CE LYS A 147 8.934 -6.927 -26.686 1.00 64.42 C ATOM 483 NZ LYS A 147 10.233 -7.450 -26.178 1.00 71.32 N ATOM 0 H LYS A 147 7.577 -1.760 -23.287 1.00 32.42 H new ATOM 0 HA LYS A 147 9.925 -2.197 -24.909 1.00 21.55 H new ATOM 0 HB2 LYS A 147 8.555 -3.949 -23.638 1.00 41.22 H new ATOM 0 HB3 LYS A 147 7.304 -3.736 -24.847 1.00 41.22 H new ATOM 0 HG2 LYS A 147 9.222 -4.240 -26.569 1.00 13.43 H new ATOM 0 HG3 LYS A 147 10.071 -4.893 -25.183 1.00 13.43 H new ATOM 0 HD2 LYS A 147 8.211 -6.441 -24.724 1.00 14.14 H new ATOM 0 HD3 LYS A 147 7.271 -5.741 -26.027 1.00 14.14 H new ATOM 0 HE2 LYS A 147 8.258 -7.760 -26.878 1.00 64.42 H new ATOM 0 HE3 LYS A 147 9.094 -6.420 -27.637 1.00 64.42 H new ATOM 0 HZ1 LYS A 147 10.609 -8.153 -26.846 1.00 71.32 H new ATOM 0 HZ2 LYS A 147 10.909 -6.666 -26.083 1.00 71.32 H new ATOM 0 HZ3 LYS A 147 10.088 -7.897 -25.250 1.00 71.32 H new ATOM 497 N ALA A 148 7.045 -1.352 -26.276 1.00 11.41 N ATOM 498 CA ALA A 148 6.433 -0.843 -27.497 1.00 14.11 C ATOM 499 C ALA A 148 7.052 0.489 -27.908 1.00 35.13 C ATOM 500 O ALA A 148 7.357 0.709 -29.080 1.00 62.53 O ATOM 501 CB ALA A 148 4.930 -0.694 -27.311 1.00 51.22 C ATOM 0 H ALA A 148 6.415 -1.398 -25.475 1.00 11.41 H new ATOM 0 HA ALA A 148 6.620 -1.562 -28.295 1.00 14.11 H new ATOM 0 HB1 ALA A 148 4.486 -0.313 -28.230 1.00 51.22 H new ATOM 0 HB2 ALA A 148 4.495 -1.665 -27.073 1.00 51.22 H new ATOM 0 HB3 ALA A 148 4.731 0.002 -26.496 1.00 51.22 H new ATOM 507 N THR A 149 7.234 1.377 -26.935 1.00 74.21 N ATOM 508 CA THR A 149 7.814 2.688 -27.196 1.00 22.11 C ATOM 509 C THR A 149 9.330 2.601 -27.328 1.00 4.43 C ATOM 510 O THR A 149 9.912 3.129 -28.276 1.00 43.01 O ATOM 511 CB THR A 149 7.464 3.690 -26.080 1.00 34.34 C ATOM 512 OG1 THR A 149 7.613 3.068 -24.798 1.00 73.45 O ATOM 513 CG2 THR A 149 6.039 4.200 -26.238 1.00 45.34 C ATOM 0 H THR A 149 6.988 1.211 -25.959 1.00 74.21 H new ATOM 0 HA THR A 149 7.389 3.040 -28.136 1.00 22.11 H new ATOM 0 HB THR A 149 8.147 4.536 -26.155 1.00 34.34 H new ATOM 0 HG1 THR A 149 7.390 3.712 -24.094 1.00 73.45 H new ATOM 0 HG21 THR A 149 5.815 4.906 -25.439 1.00 45.34 H new ATOM 0 HG22 THR A 149 5.936 4.698 -27.202 1.00 45.34 H new ATOM 0 HG23 THR A 149 5.345 3.361 -26.187 1.00 45.34 H new ATOM 521 N HIS A 150 9.966 1.932 -26.371 1.00 12.21 N ATOM 522 CA HIS A 150 11.416 1.776 -26.381 1.00 70.43 C ATOM 523 C HIS A 150 11.803 0.313 -26.579 1.00 40.24 C ATOM 524 O HIS A 150 11.991 -0.440 -25.623 1.00 52.54 O ATOM 525 CB HIS A 150 12.016 2.302 -25.077 1.00 44.15 C ATOM 526 CG HIS A 150 11.734 3.752 -24.831 1.00 11.05 C ATOM 527 ND1 HIS A 150 11.038 4.545 -25.718 1.00 73.01 N ATOM 528 CD2 HIS A 150 12.057 4.552 -23.787 1.00 73.32 C ATOM 529 CE1 HIS A 150 10.946 5.770 -25.232 1.00 51.03 C ATOM 530 NE2 HIS A 150 11.556 5.801 -24.061 1.00 71.42 N ATOM 0 H HIS A 150 9.500 1.489 -25.579 1.00 12.21 H new ATOM 0 HA HIS A 150 11.813 2.355 -27.214 1.00 70.43 H new ATOM 0 HB2 HIS A 150 11.624 1.718 -24.244 1.00 44.15 H new ATOM 0 HB3 HIS A 150 13.095 2.148 -25.095 1.00 44.15 H new ATOM 0 HD2 HIS A 150 12.606 4.262 -22.904 1.00 73.32 H new ATOM 0 HE1 HIS A 150 10.455 6.604 -25.711 1.00 51.03 H new ATOM 0 HE2 HIS A 150 11.641 6.619 -23.458 1.00 71.42 H new ATOM 664 N HIS A 159 17.807 5.981 -25.852 1.00 42.55 N ATOM 665 CA HIS A 159 17.198 6.812 -24.820 1.00 31.02 C ATOM 666 C HIS A 159 17.917 6.635 -23.486 1.00 34.43 C ATOM 667 O HIS A 159 18.576 5.621 -23.255 1.00 42.00 O ATOM 668 CB HIS A 159 15.717 6.465 -24.665 1.00 11.04 C ATOM 669 CG HIS A 159 14.841 7.102 -25.699 1.00 71.11 C ATOM 670 ND1 HIS A 159 13.519 7.423 -25.472 1.00 61.50 N ATOM 671 CD2 HIS A 159 15.105 7.479 -26.972 1.00 12.52 C ATOM 672 CE1 HIS A 159 13.007 7.968 -26.561 1.00 4.11 C ATOM 673 NE2 HIS A 159 13.949 8.015 -27.486 1.00 23.33 N ATOM 0 HA HIS A 159 17.289 7.854 -25.126 1.00 31.02 H new ATOM 0 HB2 HIS A 159 15.599 5.383 -24.717 1.00 11.04 H new ATOM 0 HB3 HIS A 159 15.381 6.775 -23.675 1.00 11.04 H new ATOM 0 HD1 HIS A 159 13.015 7.264 -24.599 1.00 61.50 H new ATOM 0 HD2 HIS A 159 16.049 7.377 -27.488 1.00 12.52 H new ATOM 0 HE1 HIS A 159 11.991 8.316 -26.676 1.00 4.11 H new ATOM 680 N ARG A 160 17.785 7.627 -22.612 1.00 32.15 N ATOM 681 CA ARG A 160 18.423 7.581 -21.302 1.00 2.14 C ATOM 682 C ARG A 160 17.426 7.164 -20.225 1.00 13.21 C ATOM 683 O ARG A 160 16.314 7.689 -20.157 1.00 14.42 O ATOM 684 CB ARG A 160 19.024 8.945 -20.955 1.00 74.22 C ATOM 685 CG ARG A 160 20.221 9.319 -21.813 1.00 64.40 C ATOM 686 CD ARG A 160 20.883 10.595 -21.319 1.00 44.42 C ATOM 687 NE ARG A 160 20.364 11.779 -21.999 1.00 3.31 N ATOM 688 CZ ARG A 160 20.780 13.015 -21.744 1.00 22.24 C ATOM 689 NH1 ARG A 160 21.717 13.227 -20.829 1.00 55.02 N ATOM 690 NH2 ARG A 160 20.260 14.041 -22.404 1.00 55.11 N ATOM 0 H ARG A 160 17.242 8.472 -22.787 1.00 32.15 H new ATOM 0 HA ARG A 160 19.221 6.839 -21.341 1.00 2.14 H new ATOM 0 HB2 ARG A 160 18.255 9.710 -21.065 1.00 74.22 H new ATOM 0 HB3 ARG A 160 19.325 8.944 -19.907 1.00 74.22 H new ATOM 0 HG2 ARG A 160 20.946 8.505 -21.804 1.00 64.40 H new ATOM 0 HG3 ARG A 160 19.902 9.450 -22.847 1.00 64.40 H new ATOM 0 HD2 ARG A 160 20.723 10.694 -20.245 1.00 44.42 H new ATOM 0 HD3 ARG A 160 21.960 10.529 -21.476 1.00 44.42 H new ATOM 0 HE ARG A 160 19.643 11.650 -22.709 1.00 3.31 H new ATOM 0 HH11 ARG A 160 22.120 12.440 -20.320 1.00 55.02 H new ATOM 0 HH12 ARG A 160 22.035 14.177 -20.635 1.00 55.02 H new ATOM 0 HH21 ARG A 160 19.540 13.882 -23.108 1.00 55.11 H new ATOM 0 HH22 ARG A 160 20.580 14.989 -22.207 1.00 55.11 H new ATOM 704 N LEU A 161 17.830 6.217 -19.386 1.00 3.11 N ATOM 705 CA LEU A 161 16.972 5.729 -18.312 1.00 21.30 C ATOM 706 C LEU A 161 17.761 5.561 -17.018 1.00 5.14 C ATOM 707 O LEU A 161 18.910 5.994 -16.919 1.00 50.32 O ATOM 708 CB LEU A 161 16.333 4.397 -18.709 1.00 30.20 C ATOM 709 CG LEU A 161 15.634 4.367 -20.068 1.00 74.34 C ATOM 710 CD1 LEU A 161 16.237 3.288 -20.955 1.00 55.32 C ATOM 711 CD2 LEU A 161 14.139 4.142 -19.894 1.00 54.42 C ATOM 0 H LEU A 161 18.747 5.772 -19.429 1.00 3.11 H new ATOM 0 HA LEU A 161 16.187 6.466 -18.144 1.00 21.30 H new ATOM 0 HB2 LEU A 161 17.107 3.630 -18.704 1.00 30.20 H new ATOM 0 HB3 LEU A 161 15.607 4.123 -17.943 1.00 30.20 H new ATOM 0 HG LEU A 161 15.782 5.332 -20.552 1.00 74.34 H new ATOM 0 HD11 LEU A 161 15.727 3.282 -21.918 1.00 55.32 H new ATOM 0 HD12 LEU A 161 17.297 3.492 -21.107 1.00 55.32 H new ATOM 0 HD13 LEU A 161 16.120 2.316 -20.476 1.00 55.32 H new ATOM 0 HD21 LEU A 161 13.658 4.124 -20.872 1.00 54.42 H new ATOM 0 HD22 LEU A 161 13.971 3.191 -19.389 1.00 54.42 H new ATOM 0 HD23 LEU A 161 13.717 4.950 -19.297 1.00 54.42 H new ATOM 723 N ILE A 162 17.139 4.929 -16.029 1.00 30.43 N ATOM 724 CA ILE A 162 17.785 4.701 -14.742 1.00 52.00 C ATOM 725 C ILE A 162 18.174 3.236 -14.574 1.00 3.31 C ATOM 726 O ILE A 162 17.369 2.338 -14.818 1.00 2.42 O ATOM 727 CB ILE A 162 16.872 5.115 -13.573 1.00 11.32 C ATOM 728 CG1 ILE A 162 16.455 6.580 -13.717 1.00 3.42 C ATOM 729 CG2 ILE A 162 17.577 4.888 -12.244 1.00 71.50 C ATOM 730 CD1 ILE A 162 14.961 6.795 -13.627 1.00 53.22 C ATOM 0 H ILE A 162 16.188 4.565 -16.094 1.00 30.43 H new ATOM 0 HA ILE A 162 18.684 5.317 -14.726 1.00 52.00 H new ATOM 0 HB ILE A 162 15.974 4.497 -13.596 1.00 11.32 H new ATOM 0 HG12 ILE A 162 16.946 7.167 -12.941 1.00 3.42 H new ATOM 0 HG13 ILE A 162 16.811 6.958 -14.675 1.00 3.42 H new ATOM 0 HG21 ILE A 162 16.919 5.185 -11.428 1.00 71.50 H new ATOM 0 HG22 ILE A 162 17.829 3.832 -12.141 1.00 71.50 H new ATOM 0 HG23 ILE A 162 18.489 5.483 -12.210 1.00 71.50 H new ATOM 0 HD11 ILE A 162 14.739 7.856 -13.738 1.00 53.22 H new ATOM 0 HD12 ILE A 162 14.465 6.236 -14.420 1.00 53.22 H new ATOM 0 HD13 ILE A 162 14.601 6.448 -12.658 1.00 53.22 H new ATOM 894 N LEU A 173 22.672 -4.357 -8.476 1.00 34.24 N ATOM 895 CA LEU A 173 22.643 -3.527 -9.675 1.00 3.55 C ATOM 896 C LEU A 173 23.428 -2.236 -9.462 1.00 22.14 C ATOM 897 O LEU A 173 23.492 -1.714 -8.349 1.00 44.42 O ATOM 898 CB LEU A 173 21.199 -3.201 -10.059 1.00 50.21 C ATOM 899 CG LEU A 173 20.357 -4.374 -10.561 1.00 61.41 C ATOM 900 CD1 LEU A 173 18.876 -4.093 -10.360 1.00 61.41 C ATOM 901 CD2 LEU A 173 20.654 -4.656 -12.027 1.00 4.42 C ATOM 0 HA LEU A 173 23.111 -4.086 -10.486 1.00 3.55 H new ATOM 0 HB2 LEU A 173 20.702 -2.768 -9.191 1.00 50.21 H new ATOM 0 HB3 LEU A 173 21.214 -2.433 -10.833 1.00 50.21 H new ATOM 0 HG LEU A 173 20.620 -5.259 -9.981 1.00 61.41 H new ATOM 0 HD11 LEU A 173 18.293 -4.939 -10.723 1.00 61.41 H new ATOM 0 HD12 LEU A 173 18.675 -3.942 -9.299 1.00 61.41 H new ATOM 0 HD13 LEU A 173 18.598 -3.196 -10.913 1.00 61.41 H new ATOM 0 HD21 LEU A 173 20.045 -5.494 -12.367 1.00 4.42 H new ATOM 0 HD22 LEU A 173 20.420 -3.773 -12.622 1.00 4.42 H new ATOM 0 HD23 LEU A 173 21.709 -4.903 -12.143 1.00 4.42 H new ATOM 913 N MET A 174 24.022 -1.727 -10.536 1.00 11.41 N ATOM 914 CA MET A 174 24.800 -0.495 -10.467 1.00 13.02 C ATOM 915 C MET A 174 24.065 0.651 -11.154 1.00 14.51 C ATOM 916 O MET A 174 23.060 0.408 -11.820 1.00 53.12 O ATOM 917 CB MET A 174 26.172 -0.696 -11.113 1.00 31.23 C ATOM 918 CG MET A 174 27.333 -0.373 -10.186 1.00 52.54 C ATOM 919 SD MET A 174 28.927 -0.858 -10.875 1.00 30.42 S ATOM 920 CE MET A 174 29.752 -1.482 -9.412 1.00 54.21 C ATOM 0 H MET A 174 23.980 -2.148 -11.464 1.00 11.41 H new ATOM 0 HA MET A 174 24.935 -0.239 -9.416 1.00 13.02 H new ATOM 0 HB2 MET A 174 26.260 -1.730 -11.445 1.00 31.23 H new ATOM 0 HB3 MET A 174 26.242 -0.069 -12.002 1.00 31.23 H new ATOM 0 HG2 MET A 174 27.341 0.697 -9.980 1.00 52.54 H new ATOM 0 HG3 MET A 174 27.184 -0.880 -9.233 1.00 52.54 H new ATOM 0 HE1 MET A 174 30.754 -1.821 -9.676 1.00 54.21 H new ATOM 0 HE2 MET A 174 29.822 -0.689 -8.668 1.00 54.21 H new ATOM 0 HE3 MET A 174 29.183 -2.316 -9.001 1.00 54.21 H new ATOM 930 N CYS A 175 24.574 1.862 -10.979 1.00 63.15 N ATOM 931 CA CYS A 175 23.957 3.029 -11.587 1.00 32.42 C ATOM 932 C CYS A 175 24.471 3.151 -13.023 1.00 13.44 C ATOM 933 O CYS A 175 25.281 2.354 -13.497 1.00 4.51 O ATOM 934 CB CYS A 175 24.224 4.297 -10.775 1.00 10.45 C ATOM 935 SG CYS A 175 22.678 5.259 -10.590 1.00 2.50 S ATOM 0 H CYS A 175 25.407 2.060 -10.425 1.00 63.15 H new ATOM 0 HA CYS A 175 22.874 2.906 -11.600 1.00 32.42 H new ATOM 0 HB2 CYS A 175 24.618 4.034 -9.793 1.00 10.45 H new ATOM 0 HB3 CYS A 175 24.982 4.903 -11.271 1.00 10.45 H new ATOM 0 HG CYS A 175 22.737 5.970 -9.503 1.00 2.50 H new ATOM 940 N LEU A 176 23.978 4.176 -13.710 1.00 34.13 N ATOM 941 CA LEU A 176 24.369 4.429 -15.092 1.00 1.30 C ATOM 942 C LEU A 176 25.874 4.656 -15.199 1.00 14.41 C ATOM 943 O LEU A 176 26.577 3.907 -15.875 1.00 61.30 O ATOM 944 CB LEU A 176 23.618 5.644 -15.641 1.00 22.31 C ATOM 945 CG LEU A 176 23.623 5.805 -17.162 1.00 35.55 C ATOM 946 CD1 LEU A 176 22.388 5.158 -17.770 1.00 51.01 C ATOM 947 CD2 LEU A 176 23.699 7.276 -17.542 1.00 32.10 C ATOM 0 H LEU A 176 23.307 4.845 -13.332 1.00 34.13 H new ATOM 0 HA LEU A 176 24.109 3.551 -15.684 1.00 1.30 H new ATOM 0 HB2 LEU A 176 22.583 5.588 -15.305 1.00 22.31 H new ATOM 0 HB3 LEU A 176 24.049 6.542 -15.199 1.00 22.31 H new ATOM 0 HG LEU A 176 24.505 5.302 -17.559 1.00 35.55 H new ATOM 0 HD11 LEU A 176 22.408 5.282 -18.853 1.00 51.01 H new ATOM 0 HD12 LEU A 176 22.377 4.096 -17.527 1.00 51.01 H new ATOM 0 HD13 LEU A 176 21.493 5.632 -17.367 1.00 51.01 H new ATOM 0 HD21 LEU A 176 23.702 7.372 -18.628 1.00 32.10 H new ATOM 0 HD22 LEU A 176 22.836 7.802 -17.133 1.00 32.10 H new ATOM 0 HD23 LEU A 176 24.614 7.710 -17.137 1.00 32.10 H new ATOM 959 N GLU A 177 26.360 5.694 -14.525 1.00 53.43 N ATOM 960 CA GLU A 177 27.781 6.018 -14.544 1.00 43.43 C ATOM 961 C GLU A 177 28.301 6.269 -13.132 1.00 21.14 C ATOM 962 O GLU A 177 28.959 7.276 -12.870 1.00 10.45 O ATOM 963 CB GLU A 177 28.035 7.248 -15.418 1.00 41.34 C ATOM 964 CG GLU A 177 29.411 7.263 -16.063 1.00 50.50 C ATOM 965 CD GLU A 177 29.852 8.658 -16.463 1.00 63.14 C ATOM 966 OE1 GLU A 177 29.636 9.599 -15.672 1.00 42.31 O ATOM 967 OE2 GLU A 177 30.414 8.807 -17.569 1.00 5.04 O ATOM 0 H GLU A 177 25.791 6.324 -13.960 1.00 53.43 H new ATOM 0 HA GLU A 177 28.316 5.166 -14.964 1.00 43.43 H new ATOM 0 HB2 GLU A 177 27.276 7.291 -16.199 1.00 41.34 H new ATOM 0 HB3 GLU A 177 27.918 8.145 -14.810 1.00 41.34 H new ATOM 0 HG2 GLU A 177 30.138 6.841 -15.369 1.00 50.50 H new ATOM 0 HG3 GLU A 177 29.402 6.622 -16.944 1.00 50.50 H new ATOM 974 N HIS A 178 28.001 5.345 -12.224 1.00 55.03 N ATOM 975 CA HIS A 178 28.437 5.465 -10.838 1.00 30.23 C ATOM 976 C HIS A 178 28.870 4.110 -10.286 1.00 4.14 C ATOM 977 O HIS A 178 28.115 3.449 -9.574 1.00 14.50 O ATOM 978 CB HIS A 178 27.315 6.044 -9.976 1.00 12.41 C ATOM 979 CG HIS A 178 26.881 7.414 -10.399 1.00 42.11 C ATOM 980 ND1 HIS A 178 25.562 7.753 -10.613 1.00 12.34 N ATOM 981 CD2 HIS A 178 27.601 8.533 -10.647 1.00 13.41 C ATOM 982 CE1 HIS A 178 25.489 9.022 -10.975 1.00 73.51 C ATOM 983 NE2 HIS A 178 26.712 9.518 -11.003 1.00 43.11 N ATOM 0 H HIS A 178 27.458 4.505 -12.424 1.00 55.03 H new ATOM 0 HA HIS A 178 29.292 6.140 -10.809 1.00 30.23 H new ATOM 0 HB2 HIS A 178 26.457 5.373 -10.012 1.00 12.41 H new ATOM 0 HB3 HIS A 178 27.647 6.081 -8.939 1.00 12.41 H new ATOM 0 HD2 HIS A 178 28.674 8.633 -10.578 1.00 13.41 H new ATOM 0 HE1 HIS A 178 24.583 9.561 -11.208 1.00 73.51 H new ATOM 0 HE2 HIS A 178 26.957 10.477 -11.249 1.00 43.11 H new ATOM 990 N GLU A 179 30.091 3.703 -10.620 1.00 2.43 N ATOM 991 CA GLU A 179 30.623 2.427 -10.158 1.00 62.40 C ATOM 992 C GLU A 179 31.146 2.540 -8.729 1.00 33.33 C ATOM 993 O GLU A 179 31.094 1.580 -7.960 1.00 25.51 O ATOM 994 CB GLU A 179 31.743 1.950 -11.086 1.00 32.13 C ATOM 995 CG GLU A 179 32.879 2.948 -11.232 1.00 12.34 C ATOM 996 CD GLU A 179 34.165 2.467 -10.588 1.00 73.10 C ATOM 997 OE1 GLU A 179 34.516 1.284 -10.779 1.00 62.21 O ATOM 998 OE2 GLU A 179 34.819 3.272 -9.894 1.00 1.34 O ATOM 0 H GLU A 179 30.729 4.238 -11.208 1.00 2.43 H new ATOM 0 HA GLU A 179 29.813 1.698 -10.173 1.00 62.40 H new ATOM 0 HB2 GLU A 179 32.143 1.010 -10.706 1.00 32.13 H new ATOM 0 HB3 GLU A 179 31.324 1.743 -12.071 1.00 32.13 H new ATOM 0 HG2 GLU A 179 33.056 3.139 -12.290 1.00 12.34 H new ATOM 0 HG3 GLU A 179 32.585 3.896 -10.782 1.00 12.34 H new ATOM 1005 N ASP A 180 31.648 3.719 -8.381 1.00 5.03 N ATOM 1006 CA ASP A 180 32.180 3.959 -7.044 1.00 43.12 C ATOM 1007 C ASP A 180 31.057 4.013 -6.014 1.00 13.51 C ATOM 1008 O ASP A 180 31.296 3.884 -4.814 1.00 30.21 O ATOM 1009 CB ASP A 180 32.978 5.264 -7.016 1.00 61.24 C ATOM 1010 CG ASP A 180 33.653 5.501 -5.680 1.00 3.10 C ATOM 1011 OD1 ASP A 180 34.037 4.510 -5.024 1.00 60.43 O ATOM 1012 OD2 ASP A 180 33.799 6.678 -5.290 1.00 50.30 O ATOM 0 H ASP A 180 31.698 4.524 -9.006 1.00 5.03 H new ATOM 0 HA ASP A 180 32.842 3.132 -6.789 1.00 43.12 H new ATOM 0 HB2 ASP A 180 33.733 5.242 -7.802 1.00 61.24 H new ATOM 0 HB3 ASP A 180 32.312 6.098 -7.237 1.00 61.24 H new ATOM 1017 N GLU A 181 29.831 4.207 -6.492 1.00 3.04 N ATOM 1018 CA GLU A 181 28.671 4.280 -5.611 1.00 5.41 C ATOM 1019 C GLU A 181 27.530 3.417 -6.141 1.00 24.23 C ATOM 1020 O GLU A 181 27.004 3.661 -7.227 1.00 22.32 O ATOM 1021 CB GLU A 181 28.204 5.730 -5.466 1.00 51.24 C ATOM 1022 CG GLU A 181 28.082 6.190 -4.023 1.00 63.42 C ATOM 1023 CD GLU A 181 26.791 5.733 -3.372 1.00 61.24 C ATOM 1024 OE1 GLU A 181 25.710 6.056 -3.907 1.00 71.41 O ATOM 1025 OE2 GLU A 181 26.863 5.052 -2.328 1.00 35.02 O ATOM 0 H GLU A 181 29.616 4.316 -7.483 1.00 3.04 H new ATOM 0 HA GLU A 181 28.965 3.901 -4.632 1.00 5.41 H new ATOM 0 HB2 GLU A 181 28.904 6.382 -5.988 1.00 51.24 H new ATOM 0 HB3 GLU A 181 27.237 5.842 -5.957 1.00 51.24 H new ATOM 0 HG2 GLU A 181 28.928 5.808 -3.451 1.00 63.42 H new ATOM 0 HG3 GLU A 181 28.138 7.278 -3.986 1.00 63.42 H new ATOM 1032 N LYS A 182 27.153 2.406 -5.366 1.00 72.50 N ATOM 1033 CA LYS A 182 26.074 1.505 -5.755 1.00 21.33 C ATOM 1034 C LYS A 182 24.713 2.116 -5.437 1.00 44.53 C ATOM 1035 O LYS A 182 24.620 3.105 -4.709 1.00 64.21 O ATOM 1036 CB LYS A 182 26.221 0.161 -5.037 1.00 72.13 C ATOM 1037 CG LYS A 182 26.389 -1.017 -5.981 1.00 65.20 C ATOM 1038 CD LYS A 182 26.913 -2.244 -5.253 1.00 74.23 C ATOM 1039 CE LYS A 182 26.832 -3.487 -6.127 1.00 12.13 C ATOM 1040 NZ LYS A 182 27.927 -4.449 -5.824 1.00 60.53 N ATOM 0 H LYS A 182 27.579 2.190 -4.465 1.00 72.50 H new ATOM 0 HA LYS A 182 26.138 1.345 -6.831 1.00 21.33 H new ATOM 0 HB2 LYS A 182 27.082 0.207 -4.370 1.00 72.13 H new ATOM 0 HB3 LYS A 182 25.343 -0.006 -4.413 1.00 72.13 H new ATOM 0 HG2 LYS A 182 25.432 -1.250 -6.447 1.00 65.20 H new ATOM 0 HG3 LYS A 182 27.076 -0.747 -6.783 1.00 65.20 H new ATOM 0 HD2 LYS A 182 27.947 -2.076 -4.952 1.00 74.23 H new ATOM 0 HD3 LYS A 182 26.337 -2.401 -4.341 1.00 74.23 H new ATOM 0 HE2 LYS A 182 25.869 -3.974 -5.977 1.00 12.13 H new ATOM 0 HE3 LYS A 182 26.883 -3.197 -7.177 1.00 12.13 H new ATOM 0 HZ1 LYS A 182 27.837 -5.282 -6.440 1.00 60.53 H new ATOM 0 HZ2 LYS A 182 28.846 -3.992 -5.991 1.00 60.53 H new ATOM 0 HZ3 LYS A 182 27.863 -4.745 -4.829 1.00 60.53 H new ATOM 1054 N VAL A 183 23.659 1.522 -5.987 1.00 63.22 N ATOM 1055 CA VAL A 183 22.303 2.007 -5.760 1.00 62.24 C ATOM 1056 C VAL A 183 21.767 1.530 -4.415 1.00 50.41 C ATOM 1057 O VAL A 183 21.692 0.330 -4.155 1.00 45.40 O ATOM 1058 CB VAL A 183 21.347 1.542 -6.875 1.00 43.42 C ATOM 1059 CG1 VAL A 183 21.690 2.224 -8.191 1.00 63.22 C ATOM 1060 CG2 VAL A 183 21.395 0.029 -7.021 1.00 34.12 C ATOM 0 H VAL A 183 23.718 0.704 -6.593 1.00 63.22 H new ATOM 0 HA VAL A 183 22.351 3.096 -5.763 1.00 62.24 H new ATOM 0 HB VAL A 183 20.331 1.825 -6.600 1.00 43.42 H new ATOM 0 HG11 VAL A 183 21.004 1.883 -8.967 1.00 63.22 H new ATOM 0 HG12 VAL A 183 21.600 3.304 -8.075 1.00 63.22 H new ATOM 0 HG13 VAL A 183 22.712 1.974 -8.475 1.00 63.22 H new ATOM 0 HG21 VAL A 183 20.714 -0.282 -7.813 1.00 34.12 H new ATOM 0 HG22 VAL A 183 22.409 -0.280 -7.273 1.00 34.12 H new ATOM 0 HG23 VAL A 183 21.096 -0.437 -6.082 1.00 34.12 H new ATOM 1070 N ASN A 184 21.394 2.480 -3.563 1.00 70.12 N ATOM 1071 CA ASN A 184 20.864 2.157 -2.243 1.00 40.43 C ATOM 1072 C ASN A 184 19.631 3.000 -1.931 1.00 60.04 C ATOM 1073 O ASN A 184 19.300 3.226 -0.768 1.00 14.10 O ATOM 1074 CB ASN A 184 21.934 2.382 -1.173 1.00 15.35 C ATOM 1075 CG ASN A 184 23.263 1.752 -1.542 1.00 13.24 C ATOM 1076 OD1 ASN A 184 23.434 0.537 -1.446 1.00 71.24 O ATOM 1077 ND2 ASN A 184 24.212 2.579 -1.965 1.00 74.14 N ATOM 0 H ASN A 184 21.449 3.479 -3.763 1.00 70.12 H new ATOM 0 HA ASN A 184 20.573 1.106 -2.242 1.00 40.43 H new ATOM 0 HB2 ASN A 184 22.072 3.452 -1.021 1.00 15.35 H new ATOM 0 HB3 ASN A 184 21.589 1.968 -0.226 1.00 15.35 H new ATOM 0 HD21 ASN A 184 25.128 2.213 -2.226 1.00 74.14 H new ATOM 0 HD22 ASN A 184 24.025 3.580 -2.029 1.00 74.14 H new ATOM 1084 N MET A 185 18.956 3.461 -2.979 1.00 52.20 N ATOM 1085 CA MET A 185 17.758 4.277 -2.817 1.00 1.33 C ATOM 1086 C MET A 185 16.683 3.870 -3.819 1.00 34.43 C ATOM 1087 O MET A 185 16.921 3.040 -4.696 1.00 70.25 O ATOM 1088 CB MET A 185 18.097 5.759 -2.990 1.00 24.04 C ATOM 1089 CG MET A 185 18.472 6.452 -1.690 1.00 2.32 C ATOM 1090 SD MET A 185 18.079 8.212 -1.703 1.00 3.00 S ATOM 1091 CE MET A 185 18.927 8.759 -0.223 1.00 13.22 C ATOM 0 H MET A 185 19.218 3.284 -3.949 1.00 52.20 H new ATOM 0 HA MET A 185 17.372 4.115 -1.811 1.00 1.33 H new ATOM 0 HB2 MET A 185 18.923 5.855 -3.695 1.00 24.04 H new ATOM 0 HB3 MET A 185 17.241 6.270 -3.431 1.00 24.04 H new ATOM 0 HG2 MET A 185 17.948 5.973 -0.863 1.00 2.32 H new ATOM 0 HG3 MET A 185 19.539 6.323 -1.509 1.00 2.32 H new ATOM 0 HE1 MET A 185 18.622 9.778 0.015 1.00 13.22 H new ATOM 0 HE2 MET A 185 18.672 8.100 0.607 1.00 13.22 H new ATOM 0 HE3 MET A 185 20.004 8.732 -0.390 1.00 13.22 H new ATOM 1101 N TYR A 186 15.499 4.458 -3.682 1.00 24.45 N ATOM 1102 CA TYR A 186 14.387 4.153 -4.573 1.00 53.22 C ATOM 1103 C TYR A 186 13.506 5.381 -4.784 1.00 60.12 C ATOM 1104 O TYR A 186 13.208 6.083 -3.819 1.00 42.01 O ATOM 1105 CB TYR A 186 13.551 3.004 -4.007 1.00 24.24 C ATOM 1106 CG TYR A 186 12.425 2.568 -4.916 1.00 50.23 C ATOM 1107 CD1 TYR A 186 12.630 1.605 -5.897 1.00 11.52 C ATOM 1108 CD2 TYR A 186 11.155 3.119 -4.794 1.00 61.04 C ATOM 1109 CE1 TYR A 186 11.604 1.205 -6.730 1.00 52.24 C ATOM 1110 CE2 TYR A 186 10.123 2.724 -5.623 1.00 35.33 C ATOM 1111 CZ TYR A 186 10.352 1.767 -6.589 1.00 70.14 C ATOM 1112 OH TYR A 186 9.327 1.370 -7.417 1.00 33.10 O ATOM 0 H TYR A 186 15.286 5.148 -2.962 1.00 24.45 H new ATOM 0 HA TYR A 186 14.799 3.853 -5.536 1.00 53.22 H new ATOM 0 HB2 TYR A 186 14.203 2.152 -3.816 1.00 24.24 H new ATOM 0 HB3 TYR A 186 13.134 3.308 -3.047 1.00 24.24 H new ATOM 0 HD1 TYR A 186 13.609 1.162 -6.010 1.00 11.52 H new ATOM 0 HD2 TYR A 186 10.972 3.869 -4.038 1.00 61.04 H new ATOM 0 HE1 TYR A 186 11.781 0.456 -7.488 1.00 52.24 H new ATOM 0 HE2 TYR A 186 9.142 3.162 -5.515 1.00 35.33 H new ATOM 0 HH TYR A 186 9.698 0.923 -8.206 1.00 33.10 H new ATOM 1122 N CYS A 187 13.113 5.610 -6.029 1.00 34.25 N ATOM 1123 CA CYS A 187 12.270 6.749 -6.350 1.00 4.55 C ATOM 1124 C CYS A 187 10.849 6.241 -6.600 1.00 2.21 C ATOM 1125 O CYS A 187 10.625 5.230 -7.265 1.00 30.43 O ATOM 1126 CB CYS A 187 12.814 7.536 -7.544 1.00 61.11 C ATOM 1127 SG CYS A 187 11.703 8.939 -7.928 1.00 23.24 S ATOM 0 H CYS A 187 13.363 5.026 -6.827 1.00 34.25 H new ATOM 0 HA CYS A 187 12.262 7.446 -5.512 1.00 4.55 H new ATOM 0 HB2 CYS A 187 13.815 7.905 -7.321 1.00 61.11 H new ATOM 0 HB3 CYS A 187 12.901 6.882 -8.412 1.00 61.11 H new ATOM 0 HG CYS A 187 12.411 9.967 -8.290 1.00 23.24 H new ATOM 1132 N VAL A 188 9.886 6.972 -6.048 1.00 12.01 N ATOM 1133 CA VAL A 188 8.479 6.620 -6.196 1.00 32.30 C ATOM 1134 C VAL A 188 7.905 7.181 -7.492 1.00 1.41 C ATOM 1135 O VAL A 188 7.249 6.470 -8.254 1.00 12.43 O ATOM 1136 CB VAL A 188 7.643 7.137 -5.010 1.00 52.24 C ATOM 1137 CG1 VAL A 188 6.180 6.757 -5.182 1.00 20.00 C ATOM 1138 CG2 VAL A 188 8.191 6.600 -3.697 1.00 64.23 C ATOM 0 H VAL A 188 10.055 7.812 -5.494 1.00 12.01 H new ATOM 0 HA VAL A 188 8.426 5.532 -6.221 1.00 32.30 H new ATOM 0 HB VAL A 188 7.711 8.225 -4.987 1.00 52.24 H new ATOM 0 HG11 VAL A 188 5.605 7.131 -4.335 1.00 20.00 H new ATOM 0 HG12 VAL A 188 5.796 7.196 -6.103 1.00 20.00 H new ATOM 0 HG13 VAL A 188 6.089 5.672 -5.232 1.00 20.00 H new ATOM 0 HG21 VAL A 188 7.588 6.976 -2.870 1.00 64.23 H new ATOM 0 HG22 VAL A 188 8.156 5.511 -3.706 1.00 64.23 H new ATOM 0 HG23 VAL A 188 9.223 6.928 -3.572 1.00 64.23 H new ATOM 1148 N THR A 189 8.157 8.464 -7.738 1.00 20.55 N ATOM 1149 CA THR A 189 7.665 9.122 -8.941 1.00 44.11 C ATOM 1150 C THR A 189 8.033 8.330 -10.191 1.00 5.24 C ATOM 1151 O THR A 189 7.318 8.364 -11.192 1.00 11.22 O ATOM 1152 CB THR A 189 8.227 10.551 -9.069 1.00 34.12 C ATOM 1153 OG1 THR A 189 7.840 11.333 -7.933 1.00 75.42 O ATOM 1154 CG2 THR A 189 7.728 11.216 -10.343 1.00 11.33 C ATOM 0 H THR A 189 8.699 9.067 -7.119 1.00 20.55 H new ATOM 0 HA THR A 189 6.580 9.172 -8.852 1.00 44.11 H new ATOM 0 HB THR A 189 9.314 10.488 -9.113 1.00 34.12 H new ATOM 0 HG1 THR A 189 8.202 12.239 -8.021 1.00 75.42 H new ATOM 0 HG21 THR A 189 8.138 12.224 -10.412 1.00 11.33 H new ATOM 0 HG22 THR A 189 8.049 10.634 -11.207 1.00 11.33 H new ATOM 0 HG23 THR A 189 6.639 11.267 -10.324 1.00 11.33 H new ATOM 1162 N ASP A 190 9.153 7.618 -10.125 1.00 73.42 N ATOM 1163 CA ASP A 190 9.615 6.815 -11.252 1.00 31.15 C ATOM 1164 C ASP A 190 9.458 5.326 -10.958 1.00 42.14 C ATOM 1165 O ASP A 190 9.446 4.501 -11.872 1.00 42.33 O ATOM 1166 CB ASP A 190 11.077 7.134 -11.567 1.00 1.22 C ATOM 1167 CG ASP A 190 11.309 8.614 -11.800 1.00 42.03 C ATOM 1168 OD1 ASP A 190 10.329 9.328 -12.097 1.00 41.24 O ATOM 1169 OD2 ASP A 190 12.471 9.058 -11.687 1.00 22.12 O ATOM 0 H ASP A 190 9.757 7.580 -9.304 1.00 73.42 H new ATOM 0 HA ASP A 190 9.002 7.063 -12.119 1.00 31.15 H new ATOM 0 HB2 ASP A 190 11.705 6.796 -10.743 1.00 1.22 H new ATOM 0 HB3 ASP A 190 11.385 6.577 -12.452 1.00 1.22 H new ATOM 1174 N ASP A 191 9.340 4.990 -9.679 1.00 34.32 N ATOM 1175 CA ASP A 191 9.184 3.600 -9.265 1.00 13.12 C ATOM 1176 C ASP A 191 10.418 2.782 -9.632 1.00 72.11 C ATOM 1177 O ASP A 191 10.322 1.585 -9.903 1.00 1.34 O ATOM 1178 CB ASP A 191 7.940 2.989 -9.913 1.00 2.14 C ATOM 1179 CG ASP A 191 7.024 2.332 -8.900 1.00 34.53 C ATOM 1180 OD1 ASP A 191 6.297 3.063 -8.195 1.00 72.34 O ATOM 1181 OD2 ASP A 191 7.034 1.086 -8.811 1.00 33.33 O ATOM 0 H ASP A 191 9.349 5.661 -8.910 1.00 34.32 H new ATOM 0 HA ASP A 191 9.066 3.580 -8.182 1.00 13.12 H new ATOM 0 HB2 ASP A 191 7.391 3.767 -10.444 1.00 2.14 H new ATOM 0 HB3 ASP A 191 8.245 2.251 -10.655 1.00 2.14 H new ATOM 1186 N GLN A 192 11.575 3.436 -9.640 1.00 55.51 N ATOM 1187 CA GLN A 192 12.827 2.769 -9.976 1.00 52.42 C ATOM 1188 C GLN A 192 13.840 2.913 -8.846 1.00 24.13 C ATOM 1189 O GLN A 192 13.576 3.574 -7.840 1.00 72.25 O ATOM 1190 CB GLN A 192 13.404 3.344 -11.271 1.00 1.53 C ATOM 1191 CG GLN A 192 13.441 2.346 -12.417 1.00 11.24 C ATOM 1192 CD GLN A 192 14.842 1.850 -12.713 1.00 63.32 C ATOM 1193 OE1 GLN A 192 15.753 2.001 -11.898 1.00 15.11 O ATOM 1194 NE2 GLN A 192 15.023 1.252 -13.885 1.00 42.43 N ATOM 0 H GLN A 192 11.671 4.427 -9.418 1.00 55.51 H new ATOM 0 HA GLN A 192 12.618 1.709 -10.119 1.00 52.42 H new ATOM 0 HB2 GLN A 192 12.810 4.207 -11.571 1.00 1.53 H new ATOM 0 HB3 GLN A 192 14.415 3.703 -11.080 1.00 1.53 H new ATOM 0 HG2 GLN A 192 12.802 1.496 -12.175 1.00 11.24 H new ATOM 0 HG3 GLN A 192 13.027 2.811 -13.312 1.00 11.24 H new ATOM 0 HE21 GLN A 192 14.240 1.148 -14.531 1.00 42.43 H new ATOM 0 HE22 GLN A 192 15.945 0.897 -14.139 1.00 42.43 H new ATOM 1203 N LEU A 193 15.001 2.290 -9.016 1.00 63.12 N ATOM 1204 CA LEU A 193 16.056 2.348 -8.010 1.00 33.23 C ATOM 1205 C LEU A 193 17.101 3.397 -8.375 1.00 54.14 C ATOM 1206 O LEU A 193 17.336 3.669 -9.553 1.00 74.22 O ATOM 1207 CB LEU A 193 16.722 0.979 -7.861 1.00 35.32 C ATOM 1208 CG LEU A 193 15.902 -0.091 -7.138 1.00 23.02 C ATOM 1209 CD1 LEU A 193 16.340 -1.482 -7.571 1.00 10.34 C ATOM 1210 CD2 LEU A 193 16.033 0.066 -5.630 1.00 32.02 C ATOM 0 H LEU A 193 15.236 1.739 -9.841 1.00 63.12 H new ATOM 0 HA LEU A 193 15.602 2.630 -7.060 1.00 33.23 H new ATOM 0 HB2 LEU A 193 16.970 0.608 -8.855 1.00 35.32 H new ATOM 0 HB3 LEU A 193 17.662 1.111 -7.326 1.00 35.32 H new ATOM 0 HG LEU A 193 14.854 0.038 -7.407 1.00 23.02 H new ATOM 0 HD11 LEU A 193 15.746 -2.230 -7.046 1.00 10.34 H new ATOM 0 HD12 LEU A 193 16.194 -1.591 -8.646 1.00 10.34 H new ATOM 0 HD13 LEU A 193 17.394 -1.623 -7.332 1.00 10.34 H new ATOM 0 HD21 LEU A 193 15.443 -0.703 -5.132 1.00 32.02 H new ATOM 0 HD22 LEU A 193 17.080 -0.036 -5.343 1.00 32.02 H new ATOM 0 HD23 LEU A 193 15.670 1.050 -5.334 1.00 32.02 H new ATOM 1222 N ILE A 194 17.726 3.981 -7.359 1.00 14.51 N ATOM 1223 CA ILE A 194 18.748 4.998 -7.574 1.00 52.10 C ATOM 1224 C ILE A 194 19.808 4.952 -6.479 1.00 14.55 C ATOM 1225 O ILE A 194 19.666 4.176 -5.535 1.00 52.01 O ATOM 1226 CB ILE A 194 18.136 6.411 -7.622 1.00 73.50 C ATOM 1227 CG1 ILE A 194 17.575 6.794 -6.251 1.00 73.21 C ATOM 1228 CG2 ILE A 194 17.048 6.481 -8.684 1.00 24.22 C ATOM 1229 CD1 ILE A 194 16.965 8.178 -6.213 1.00 72.51 C ATOM 0 H ILE A 194 17.543 3.768 -6.379 1.00 14.51 H new ATOM 0 HA ILE A 194 19.213 4.780 -8.536 1.00 52.10 H new ATOM 0 HB ILE A 194 18.919 7.122 -7.885 1.00 73.50 H new ATOM 0 HG12 ILE A 194 16.819 6.064 -5.960 1.00 73.21 H new ATOM 0 HG13 ILE A 194 18.374 6.737 -5.512 1.00 73.21 H new ATOM 0 HG21 ILE A 194 16.625 7.485 -8.706 1.00 24.22 H new ATOM 0 HG22 ILE A 194 17.475 6.246 -9.659 1.00 24.22 H new ATOM 0 HG23 ILE A 194 16.263 5.762 -8.449 1.00 24.22 H new ATOM 0 HD11 ILE A 194 16.588 8.382 -5.211 1.00 72.51 H new ATOM 0 HD12 ILE A 194 17.723 8.917 -6.473 1.00 72.51 H new ATOM 0 HD13 ILE A 194 16.144 8.234 -6.928 1.00 72.51 H new ATOM 1241 N CYS A 195 20.834 5.777 -6.624 1.00 44.10 N ATOM 1242 CA CYS A 195 21.904 5.822 -5.641 1.00 75.41 C ATOM 1243 C CYS A 195 21.832 7.166 -4.914 1.00 42.13 C ATOM 1244 O CYS A 195 21.341 8.166 -5.438 1.00 62.51 O ATOM 1245 CB CYS A 195 23.273 5.592 -6.284 1.00 11.31 C ATOM 1246 SG CYS A 195 23.709 7.014 -7.351 1.00 24.52 S ATOM 0 H CYS A 195 20.948 6.420 -7.408 1.00 44.10 H new ATOM 0 HA CYS A 195 21.775 5.014 -4.921 1.00 75.41 H new ATOM 0 HB2 CYS A 195 24.030 5.461 -5.511 1.00 11.31 H new ATOM 0 HB3 CYS A 195 23.258 4.675 -6.874 1.00 11.31 H new ATOM 0 HG CYS A 195 22.677 7.354 -8.064 1.00 24.52 H new ATOM 1251 N ALA A 196 22.338 7.168 -3.685 1.00 72.32 N ATOM 1252 CA ALA A 196 22.346 8.372 -2.864 1.00 42.13 C ATOM 1253 C ALA A 196 23.054 9.519 -3.579 1.00 34.42 C ATOM 1254 O ALA A 196 22.744 10.689 -3.354 1.00 10.42 O ATOM 1255 CB ALA A 196 23.011 8.093 -1.524 1.00 75.23 C ATOM 0 H ALA A 196 22.748 6.349 -3.236 1.00 72.32 H new ATOM 0 HA ALA A 196 21.312 8.670 -2.689 1.00 42.13 H new ATOM 0 HB1 ALA A 196 23.010 9.001 -0.921 1.00 75.23 H new ATOM 0 HB2 ALA A 196 22.462 7.310 -1.001 1.00 75.23 H new ATOM 0 HB3 ALA A 196 24.038 7.768 -1.688 1.00 75.23 H new ATOM 1261 N LEU A 197 24.005 9.175 -4.440 1.00 1.41 N ATOM 1262 CA LEU A 197 24.758 10.177 -5.188 1.00 33.43 C ATOM 1263 C LEU A 197 23.883 10.835 -6.250 1.00 34.24 C ATOM 1264 O LEU A 197 24.199 11.938 -6.691 1.00 40.33 O ATOM 1265 CB LEU A 197 25.982 9.537 -5.844 1.00 45.34 C ATOM 1266 CG LEU A 197 27.028 10.505 -6.399 1.00 63.14 C ATOM 1267 CD1 LEU A 197 27.980 10.950 -5.300 1.00 63.02 C ATOM 1268 CD2 LEU A 197 27.796 9.861 -7.544 1.00 65.32 C ATOM 0 H LEU A 197 24.273 8.211 -4.638 1.00 1.41 H new ATOM 0 HA LEU A 197 25.088 10.945 -4.489 1.00 33.43 H new ATOM 0 HB2 LEU A 197 26.466 8.891 -5.112 1.00 45.34 H new ATOM 0 HB3 LEU A 197 25.641 8.897 -6.657 1.00 45.34 H new ATOM 0 HG LEU A 197 26.513 11.385 -6.783 1.00 63.14 H new ATOM 0 HD11 LEU A 197 28.717 11.638 -5.714 1.00 63.02 H new ATOM 0 HD12 LEU A 197 27.418 11.451 -4.512 1.00 63.02 H new ATOM 0 HD13 LEU A 197 28.489 10.080 -4.885 1.00 63.02 H new ATOM 0 HD21 LEU A 197 28.536 10.564 -7.927 1.00 65.32 H new ATOM 0 HD22 LEU A 197 28.300 8.964 -7.185 1.00 65.32 H new ATOM 0 HD23 LEU A 197 27.103 9.593 -8.342 1.00 65.32 H new ATOM 1280 N CYS A 198 22.812 10.153 -6.630 1.00 64.23 N ATOM 1281 CA CYS A 198 21.905 10.683 -7.634 1.00 22.20 C ATOM 1282 C CYS A 198 20.993 11.710 -6.962 1.00 15.42 C ATOM 1283 O CYS A 198 20.652 12.750 -7.526 1.00 51.32 O ATOM 1284 CB CYS A 198 21.107 9.571 -8.318 1.00 53.31 C ATOM 1285 SG CYS A 198 22.027 8.942 -9.769 1.00 71.13 S ATOM 0 H CYS A 198 22.552 9.238 -6.261 1.00 64.23 H new ATOM 0 HA CYS A 198 22.476 11.169 -8.425 1.00 22.20 H new ATOM 0 HB2 CYS A 198 20.922 8.759 -7.614 1.00 53.31 H new ATOM 0 HB3 CYS A 198 20.134 9.950 -8.630 1.00 53.31 H new ATOM 0 HG CYS A 198 23.226 8.596 -9.406 1.00 71.13 H new ATOM 1290 N LYS A 199 20.601 11.394 -5.732 1.00 54.23 N ATOM 1291 CA LYS A 199 19.730 12.270 -4.957 1.00 73.13 C ATOM 1292 C LYS A 199 20.481 13.514 -4.495 1.00 43.22 C ATOM 1293 O LYS A 199 19.879 14.560 -4.249 1.00 40.10 O ATOM 1294 CB LYS A 199 19.167 11.522 -3.746 1.00 50.15 C ATOM 1295 CG LYS A 199 17.864 12.103 -3.225 1.00 21.24 C ATOM 1296 CD LYS A 199 17.710 11.873 -1.731 1.00 20.05 C ATOM 1297 CE LYS A 199 16.855 12.953 -1.086 1.00 34.22 C ATOM 1298 NZ LYS A 199 17.442 13.434 0.195 1.00 13.23 N ATOM 0 H LYS A 199 20.873 10.537 -5.250 1.00 54.23 H new ATOM 0 HA LYS A 199 18.906 12.582 -5.599 1.00 73.13 H new ATOM 0 HB2 LYS A 199 19.007 10.478 -4.016 1.00 50.15 H new ATOM 0 HB3 LYS A 199 19.907 11.535 -2.945 1.00 50.15 H new ATOM 0 HG2 LYS A 199 17.831 13.172 -3.435 1.00 21.24 H new ATOM 0 HG3 LYS A 199 17.025 11.649 -3.753 1.00 21.24 H new ATOM 0 HD2 LYS A 199 17.257 10.897 -1.557 1.00 20.05 H new ATOM 0 HD3 LYS A 199 18.693 11.857 -1.261 1.00 20.05 H new ATOM 0 HE2 LYS A 199 16.749 13.792 -1.774 1.00 34.22 H new ATOM 0 HE3 LYS A 199 15.854 12.562 -0.903 1.00 34.22 H new ATOM 0 HZ1 LYS A 199 16.830 14.169 0.603 1.00 13.23 H new ATOM 0 HZ2 LYS A 199 17.520 12.639 0.861 1.00 13.23 H new ATOM 0 HZ3 LYS A 199 18.387 13.830 0.017 1.00 13.23 H new ATOM 1312 N LEU A 200 21.799 13.395 -4.381 1.00 4.12 N ATOM 1313 CA LEU A 200 22.634 14.511 -3.950 1.00 10.33 C ATOM 1314 C LEU A 200 22.858 15.497 -5.092 1.00 70.32 C ATOM 1315 O LEU A 200 22.629 16.697 -4.944 1.00 44.34 O ATOM 1316 CB LEU A 200 23.979 13.998 -3.432 1.00 50.15 C ATOM 1317 CG LEU A 200 24.746 14.942 -2.506 1.00 43.22 C ATOM 1318 CD1 LEU A 200 25.355 14.172 -1.345 1.00 3.23 C ATOM 1319 CD2 LEU A 200 25.825 15.687 -3.279 1.00 2.13 C ATOM 0 H LEU A 200 22.313 12.537 -4.581 1.00 4.12 H new ATOM 0 HA LEU A 200 22.116 15.030 -3.144 1.00 10.33 H new ATOM 0 HB2 LEU A 200 23.808 13.061 -2.902 1.00 50.15 H new ATOM 0 HB3 LEU A 200 24.612 13.768 -4.289 1.00 50.15 H new ATOM 0 HG LEU A 200 24.046 15.673 -2.103 1.00 43.22 H new ATOM 0 HD11 LEU A 200 25.897 14.860 -0.696 1.00 3.23 H new ATOM 0 HD12 LEU A 200 24.563 13.685 -0.776 1.00 3.23 H new ATOM 0 HD13 LEU A 200 26.042 13.418 -1.729 1.00 3.23 H new ATOM 0 HD21 LEU A 200 26.361 16.354 -2.604 1.00 2.13 H new ATOM 0 HD22 LEU A 200 26.524 14.970 -3.711 1.00 2.13 H new ATOM 0 HD23 LEU A 200 25.364 16.270 -4.076 1.00 2.13 H new ATOM 1331 N VAL A 201 23.305 14.981 -6.233 1.00 32.31 N ATOM 1332 CA VAL A 201 23.557 15.814 -7.402 1.00 54.33 C ATOM 1333 C VAL A 201 22.340 16.670 -7.739 1.00 65.35 C ATOM 1334 O VAL A 201 22.473 17.829 -8.131 1.00 33.43 O ATOM 1335 CB VAL A 201 23.927 14.962 -8.630 1.00 61.42 C ATOM 1336 CG1 VAL A 201 24.149 15.846 -9.848 1.00 1.14 C ATOM 1337 CG2 VAL A 201 25.160 14.119 -8.341 1.00 4.31 C ATOM 0 H VAL A 201 23.500 13.989 -6.372 1.00 32.31 H new ATOM 0 HA VAL A 201 24.397 16.462 -7.153 1.00 54.33 H new ATOM 0 HB VAL A 201 23.097 14.289 -8.847 1.00 61.42 H new ATOM 0 HG11 VAL A 201 24.410 15.225 -10.705 1.00 1.14 H new ATOM 0 HG12 VAL A 201 23.237 16.401 -10.066 1.00 1.14 H new ATOM 0 HG13 VAL A 201 24.960 16.546 -9.647 1.00 1.14 H new ATOM 0 HG21 VAL A 201 25.407 13.523 -9.220 1.00 4.31 H new ATOM 0 HG22 VAL A 201 25.998 14.772 -8.098 1.00 4.31 H new ATOM 0 HG23 VAL A 201 24.959 13.457 -7.499 1.00 4.31 H new ATOM 1347 N GLY A 202 21.154 16.090 -7.584 1.00 61.44 N ATOM 1348 CA GLY A 202 19.931 16.813 -7.876 1.00 54.34 C ATOM 1349 C GLY A 202 18.997 16.033 -8.781 1.00 3.21 C ATOM 1350 O GLY A 202 17.834 16.400 -8.948 1.00 61.13 O ATOM 0 H GLY A 202 21.019 15.132 -7.261 1.00 61.44 H new ATOM 0 HA2 GLY A 202 19.418 17.044 -6.943 1.00 54.34 H new ATOM 0 HA3 GLY A 202 20.179 17.764 -8.348 1.00 54.34 H new ATOM 1354 N ARG A 203 19.508 14.955 -9.367 1.00 12.11 N ATOM 1355 CA ARG A 203 18.712 14.123 -10.262 1.00 5.04 C ATOM 1356 C ARG A 203 17.399 13.716 -9.601 1.00 31.52 C ATOM 1357 O ARG A 203 16.362 13.624 -10.260 1.00 4.45 O ATOM 1358 CB ARG A 203 19.500 12.876 -10.667 1.00 60.14 C ATOM 1359 CG ARG A 203 20.250 13.029 -11.981 1.00 15.43 C ATOM 1360 CD ARG A 203 21.057 11.784 -12.310 1.00 72.54 C ATOM 1361 NE ARG A 203 20.306 10.850 -13.145 1.00 72.31 N ATOM 1362 CZ ARG A 203 20.837 9.761 -13.690 1.00 35.41 C ATOM 1363 NH1 ARG A 203 22.114 9.470 -13.488 1.00 63.14 N ATOM 1364 NH2 ARG A 203 20.088 8.959 -14.438 1.00 4.44 N ATOM 0 H ARG A 203 20.469 14.637 -9.238 1.00 12.11 H new ATOM 0 HA ARG A 203 18.484 14.706 -11.154 1.00 5.04 H new ATOM 0 HB2 ARG A 203 20.212 12.634 -9.878 1.00 60.14 H new ATOM 0 HB3 ARG A 203 18.814 12.033 -10.746 1.00 60.14 H new ATOM 0 HG2 ARG A 203 19.541 13.227 -12.785 1.00 15.43 H new ATOM 0 HG3 ARG A 203 20.915 13.890 -11.923 1.00 15.43 H new ATOM 0 HD2 ARG A 203 21.975 12.072 -12.823 1.00 72.54 H new ATOM 0 HD3 ARG A 203 21.351 11.288 -11.385 1.00 72.54 H new ATOM 0 HE ARG A 203 19.320 11.045 -13.319 1.00 72.31 H new ATOM 0 HH11 ARG A 203 22.692 10.083 -12.913 1.00 63.14 H new ATOM 0 HH12 ARG A 203 22.519 8.633 -13.908 1.00 63.14 H new ATOM 0 HH21 ARG A 203 19.104 9.179 -14.594 1.00 4.44 H new ATOM 0 HH22 ARG A 203 20.496 8.123 -14.856 1.00 4.44 H new ATOM 1378 N HIS A 204 17.450 13.471 -8.295 1.00 60.22 N ATOM 1379 CA HIS A 204 16.264 13.073 -7.545 1.00 21.10 C ATOM 1380 C HIS A 204 16.201 13.798 -6.204 1.00 53.42 C ATOM 1381 O HIS A 204 15.991 13.178 -5.162 1.00 11.45 O ATOM 1382 CB HIS A 204 16.261 11.561 -7.320 1.00 75.44 C ATOM 1383 CG HIS A 204 16.244 10.767 -8.590 1.00 73.52 C ATOM 1384 ND1 HIS A 204 15.086 10.276 -9.156 1.00 32.34 N ATOM 1385 CD2 HIS A 204 17.252 10.380 -9.406 1.00 42.01 C ATOM 1386 CE1 HIS A 204 15.383 9.620 -10.263 1.00 51.14 C ATOM 1387 NE2 HIS A 204 16.691 9.669 -10.438 1.00 62.03 N ATOM 0 H HIS A 204 18.299 13.541 -7.735 1.00 60.22 H new ATOM 0 HA HIS A 204 15.386 13.348 -8.129 1.00 21.10 H new ATOM 0 HB2 HIS A 204 17.143 11.286 -6.741 1.00 75.44 H new ATOM 0 HB3 HIS A 204 15.390 11.293 -6.722 1.00 75.44 H new ATOM 0 HD1 HIS A 204 14.147 10.400 -8.778 1.00 32.34 H new ATOM 0 HD2 HIS A 204 18.302 10.591 -9.271 1.00 42.01 H new ATOM 0 HE1 HIS A 204 14.676 9.127 -10.914 1.00 51.14 H new ATOM 1394 N ARG A 205 16.384 15.114 -6.240 1.00 2.24 N ATOM 1395 CA ARG A 205 16.350 15.923 -5.027 1.00 52.23 C ATOM 1396 C ARG A 205 14.913 16.266 -4.643 1.00 44.53 C ATOM 1397 O ARG A 205 14.484 16.014 -3.518 1.00 31.35 O ATOM 1398 CB ARG A 205 17.158 17.208 -5.223 1.00 34.44 C ATOM 1399 CG ARG A 205 18.336 17.336 -4.272 1.00 5.21 C ATOM 1400 CD ARG A 205 18.833 18.771 -4.191 1.00 12.31 C ATOM 1401 NE ARG A 205 18.290 19.474 -3.031 1.00 72.43 N ATOM 1402 CZ ARG A 205 18.395 20.785 -2.851 1.00 2.41 C ATOM 1403 NH1 ARG A 205 19.020 21.533 -3.750 1.00 12.51 N ATOM 1404 NH2 ARG A 205 17.875 21.352 -1.770 1.00 33.44 N ATOM 0 H ARG A 205 16.557 15.642 -7.095 1.00 2.24 H new ATOM 0 HA ARG A 205 16.795 15.342 -4.219 1.00 52.23 H new ATOM 0 HB2 ARG A 205 17.524 17.244 -6.249 1.00 34.44 H new ATOM 0 HB3 ARG A 205 16.499 18.066 -5.089 1.00 34.44 H new ATOM 0 HG2 ARG A 205 18.042 16.995 -3.279 1.00 5.21 H new ATOM 0 HG3 ARG A 205 19.146 16.687 -4.605 1.00 5.21 H new ATOM 0 HD2 ARG A 205 19.922 18.775 -4.140 1.00 12.31 H new ATOM 0 HD3 ARG A 205 18.554 19.303 -5.101 1.00 12.31 H new ATOM 0 HE ARG A 205 17.803 18.927 -2.320 1.00 72.43 H new ATOM 0 HH11 ARG A 205 19.422 21.101 -4.582 1.00 12.51 H new ATOM 0 HH12 ARG A 205 19.099 22.540 -3.609 1.00 12.51 H new ATOM 0 HH21 ARG A 205 17.394 20.780 -1.076 1.00 33.44 H new ATOM 0 HH22 ARG A 205 17.957 22.359 -1.633 1.00 33.44 H new ATOM 1418 N ASP A 206 14.177 16.844 -5.586 1.00 34.22 N ATOM 1419 CA ASP A 206 12.788 17.222 -5.347 1.00 24.51 C ATOM 1420 C ASP A 206 11.880 15.996 -5.368 1.00 64.14 C ATOM 1421 O ASP A 206 10.688 16.089 -5.076 1.00 32.54 O ATOM 1422 CB ASP A 206 12.325 18.233 -6.396 1.00 40.40 C ATOM 1423 CG ASP A 206 12.731 19.653 -6.050 1.00 75.32 C ATOM 1424 OD1 ASP A 206 13.884 20.030 -6.347 1.00 33.30 O ATOM 1425 OD2 ASP A 206 11.894 20.387 -5.483 1.00 64.25 O ATOM 0 H ASP A 206 14.518 17.061 -6.522 1.00 34.22 H new ATOM 0 HA ASP A 206 12.726 17.680 -4.360 1.00 24.51 H new ATOM 0 HB2 ASP A 206 12.744 17.964 -7.366 1.00 40.40 H new ATOM 0 HB3 ASP A 206 11.241 18.181 -6.492 1.00 40.40 H new ATOM 1430 N HIS A 207 12.452 14.848 -5.718 1.00 63.02 N ATOM 1431 CA HIS A 207 11.694 13.603 -5.779 1.00 1.45 C ATOM 1432 C HIS A 207 11.474 13.033 -4.381 1.00 24.33 C ATOM 1433 O HIS A 207 12.198 13.368 -3.443 1.00 55.42 O ATOM 1434 CB HIS A 207 12.422 12.580 -6.651 1.00 54.23 C ATOM 1435 CG HIS A 207 12.231 12.802 -8.120 1.00 50.51 C ATOM 1436 ND1 HIS A 207 12.584 11.871 -9.074 1.00 52.51 N ATOM 1437 CD2 HIS A 207 11.719 13.857 -8.797 1.00 2.12 C ATOM 1438 CE1 HIS A 207 12.299 12.345 -10.274 1.00 72.52 C ATOM 1439 NE2 HIS A 207 11.773 13.548 -10.134 1.00 34.23 N ATOM 0 H HIS A 207 13.438 14.754 -5.964 1.00 63.02 H new ATOM 0 HA HIS A 207 10.722 13.819 -6.222 1.00 1.45 H new ATOM 0 HB2 HIS A 207 13.487 12.612 -6.422 1.00 54.23 H new ATOM 0 HB3 HIS A 207 12.071 11.580 -6.394 1.00 54.23 H new ATOM 0 HD2 HIS A 207 11.339 14.771 -8.366 1.00 2.12 H new ATOM 0 HE1 HIS A 207 12.468 11.835 -11.211 1.00 72.52 H new ATOM 0 HE2 HIS A 207 11.458 14.150 -10.895 1.00 34.23 H new ATOM 1446 N GLN A 208 10.472 12.170 -4.250 1.00 20.21 N ATOM 1447 CA GLN A 208 10.157 11.554 -2.966 1.00 41.50 C ATOM 1448 C GLN A 208 10.675 10.121 -2.908 1.00 3.34 C ATOM 1449 O GLN A 208 10.085 9.212 -3.491 1.00 52.33 O ATOM 1450 CB GLN A 208 8.647 11.574 -2.724 1.00 72.42 C ATOM 1451 CG GLN A 208 8.265 11.497 -1.255 1.00 11.32 C ATOM 1452 CD GLN A 208 6.775 11.306 -1.048 1.00 64.31 C ATOM 1453 OE1 GLN A 208 5.962 11.755 -1.856 1.00 30.00 O ATOM 1454 NE2 GLN A 208 6.410 10.635 0.038 1.00 14.33 N ATOM 0 H GLN A 208 9.864 11.881 -5.017 1.00 20.21 H new ATOM 0 HA GLN A 208 10.651 12.131 -2.184 1.00 41.50 H new ATOM 0 HB2 GLN A 208 8.231 12.486 -3.152 1.00 72.42 H new ATOM 0 HB3 GLN A 208 8.192 10.737 -3.254 1.00 72.42 H new ATOM 0 HG2 GLN A 208 8.802 10.672 -0.787 1.00 11.32 H new ATOM 0 HG3 GLN A 208 8.584 12.410 -0.752 1.00 11.32 H new ATOM 0 HE21 GLN A 208 7.118 10.281 0.681 1.00 14.33 H new ATOM 0 HE22 GLN A 208 5.421 10.474 0.230 1.00 14.33 H new ATOM 1463 N VAL A 209 11.783 9.926 -2.200 1.00 2.15 N ATOM 1464 CA VAL A 209 12.381 8.603 -2.064 1.00 50.22 C ATOM 1465 C VAL A 209 12.271 8.095 -0.631 1.00 62.42 C ATOM 1466 O VAL A 209 11.792 8.802 0.254 1.00 3.24 O ATOM 1467 CB VAL A 209 13.863 8.612 -2.482 1.00 64.42 C ATOM 1468 CG1 VAL A 209 14.006 9.041 -3.934 1.00 64.14 C ATOM 1469 CG2 VAL A 209 14.669 9.521 -1.567 1.00 64.20 C ATOM 0 H VAL A 209 12.285 10.668 -1.712 1.00 2.15 H new ATOM 0 HA VAL A 209 11.829 7.936 -2.726 1.00 50.22 H new ATOM 0 HB VAL A 209 14.255 7.599 -2.387 1.00 64.42 H new ATOM 0 HG11 VAL A 209 15.060 9.041 -4.211 1.00 64.14 H new ATOM 0 HG12 VAL A 209 13.463 8.346 -4.574 1.00 64.14 H new ATOM 0 HG13 VAL A 209 13.598 10.044 -4.059 1.00 64.14 H new ATOM 0 HG21 VAL A 209 15.714 9.515 -1.877 1.00 64.20 H new ATOM 0 HG22 VAL A 209 14.278 10.537 -1.627 1.00 64.20 H new ATOM 0 HG23 VAL A 209 14.593 9.163 -0.540 1.00 64.20 H new ATOM 1479 N ALA A 210 12.719 6.863 -0.410 1.00 71.14 N ATOM 1480 CA ALA A 210 12.674 6.260 0.916 1.00 75.11 C ATOM 1481 C ALA A 210 14.070 5.874 1.392 1.00 40.14 C ATOM 1482 O ALA A 210 14.847 5.278 0.647 1.00 41.14 O ATOM 1483 CB ALA A 210 11.760 5.043 0.911 1.00 24.14 C ATOM 0 H ALA A 210 13.117 6.263 -1.133 1.00 71.14 H new ATOM 0 HA ALA A 210 12.274 6.999 1.611 1.00 75.11 H new ATOM 0 HB1 ALA A 210 11.736 4.602 1.908 1.00 24.14 H new ATOM 0 HB2 ALA A 210 10.753 5.345 0.623 1.00 24.14 H new ATOM 0 HB3 ALA A 210 12.136 4.309 0.199 1.00 24.14 H new ATOM 1489 N ALA A 211 14.382 6.219 2.637 1.00 62.24 N ATOM 1490 CA ALA A 211 15.685 5.907 3.212 1.00 52.13 C ATOM 1491 C ALA A 211 15.633 4.615 4.020 1.00 1.21 C ATOM 1492 O ALA A 211 14.848 4.490 4.961 1.00 2.52 O ATOM 1493 CB ALA A 211 16.166 7.058 4.083 1.00 42.13 C ATOM 0 H ALA A 211 13.751 6.714 3.267 1.00 62.24 H new ATOM 0 HA ALA A 211 16.391 5.765 2.394 1.00 52.13 H new ATOM 0 HB1 ALA A 211 17.140 6.812 4.506 1.00 42.13 H new ATOM 0 HB2 ALA A 211 16.251 7.961 3.478 1.00 42.13 H new ATOM 0 HB3 ALA A 211 15.452 7.227 4.889 1.00 42.13 H new