USER MOD reduce.3.24.130724 H: found=0, std=0, add=599, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 582 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 175 CYS SG : rot 151:sc= 0.145 USER MOD Set 1.2: A 178 HIS : no HD1:sc= -1.57 K(o=-0.27,f=0.47) USER MOD Set 1.3: A 195 CYS SG : rot -50:sc= 0.542 USER MOD Set 1.4: A 198 CYS SG : rot 45:sc= 0.612 USER MOD Set 2.1: A 187 CYS SG : rot 142:sc= 0.73 USER MOD Set 2.2: A 204 HIS : no HE2:sc= -0.0112 K(o=1.9,f=-3.9!) USER MOD Set 2.3: A 207 HIS : no HD1:sc= 1.17 K(o=1.9,f=-6!) USER MOD Set 3.1: A 174 MET CE :methyl 173:sc= 0 (180deg=0) USER MOD Set 3.2: A 182 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 134 CYS SG : rot 62:sc= 0.853 USER MOD Set 4.2: A 137 CYS SG : rot 180:sc= 0 USER MOD Set 4.3: A 150 HIS : no HD1:sc= -1.52 K(o=-1.2,f=-6.3!) USER MOD Set 4.4: A 159 HIS : no HE2:sc= -0.575 K(o=-1.2,f=-5.1) USER MOD Set 5.1: A 133 THR OG1 : rot 93:sc= 0.735 USER MOD Set 5.2: A 140 SER OG : rot 56:sc= 0.805 USER MOD Set 6.1: A 119 CYS SG : rot -156:sc= 0.104 USER MOD Set 6.2: A 122 CYS SG : rot 37:sc= 0.396 USER MOD Set 6.3: A 124 GLN : amide:sc= -0.0759 X(o=0.95,f=1.3) USER MOD Set 6.4: A 128 GLN : amide:sc= -0.123 K(o=0.95,f=-0.22!) USER MOD Set 6.5: A 142 CYS SG : rot -133:sc= -0.123 USER MOD Set 6.6: A 145 CYS SG : rot -152:sc= 0.773 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 GLN : amide:sc= 0.287 X(o=0.29,f=0) USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 136 THR OG1 : rot -160:sc= -0.303 USER MOD Single : A 141 TYR OH : rot -48:sc= 2.22 USER MOD Single : A 147 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0182) USER MOD Single : A 149 THR OG1 : rot -67:sc= 0.35 USER MOD Single : A 184 ASN : amide:sc= 0.0313 K(o=0.031,f=-2.2) USER MOD Single : A 185 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 186 TYR OH : rot 160:sc= -0.989 USER MOD Single : A 189 THR OG1 : rot 180:sc= 0 USER MOD Single : A 192 GLN : amide:sc= -1.93 K(o=-1.9,f=-3.3) 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 1.487 2.252 -5.023 1.00 63.32 N ATOM 27 CA LYS A 116 2.355 2.521 -6.164 1.00 11.34 C ATOM 28 C LYS A 116 1.598 3.266 -7.259 1.00 61.30 C ATOM 29 O LYS A 116 0.379 3.424 -7.188 1.00 4.23 O ATOM 30 CB LYS A 116 2.922 1.213 -6.720 1.00 1.24 C ATOM 31 CG LYS A 116 4.277 0.843 -6.141 1.00 51.31 C ATOM 32 CD LYS A 116 4.499 -0.660 -6.159 1.00 45.34 C ATOM 33 CE LYS A 116 5.251 -1.097 -7.408 1.00 15.23 C ATOM 34 NZ LYS A 116 5.762 -2.490 -7.288 1.00 22.12 N ATOM 0 HA LYS A 116 3.178 3.150 -5.823 1.00 11.34 H new ATOM 0 HB2 LYS A 116 2.217 0.406 -6.518 1.00 1.24 H new ATOM 0 HB3 LYS A 116 3.009 1.296 -7.803 1.00 1.24 H new ATOM 0 HG2 LYS A 116 5.064 1.335 -6.712 1.00 51.31 H new ATOM 0 HG3 LYS A 116 4.349 1.210 -5.117 1.00 51.31 H new ATOM 0 HD2 LYS A 116 5.060 -0.957 -5.273 1.00 45.34 H new ATOM 0 HD3 LYS A 116 3.538 -1.172 -6.114 1.00 45.34 H new ATOM 0 HE2 LYS A 116 4.591 -1.025 -8.273 1.00 15.23 H new ATOM 0 HE3 LYS A 116 6.085 -0.418 -7.586 1.00 15.23 H new ATOM 0 HZ1 LYS A 116 6.268 -2.750 -8.158 1.00 22.12 H new ATOM 0 HZ2 LYS A 116 6.411 -2.553 -6.478 1.00 22.12 H new ATOM 0 HZ3 LYS A 116 4.964 -3.141 -7.144 1.00 22.12 H new ATOM 48 N VAL A 117 2.328 3.720 -8.273 1.00 23.41 N ATOM 49 CA VAL A 117 1.725 4.445 -9.385 1.00 24.03 C ATOM 50 C VAL A 117 1.426 3.511 -10.552 1.00 41.31 C ATOM 51 O VAL A 117 2.255 2.681 -10.926 1.00 23.55 O ATOM 52 CB VAL A 117 2.640 5.584 -9.874 1.00 31.32 C ATOM 53 CG1 VAL A 117 3.930 5.022 -10.450 1.00 65.05 C ATOM 54 CG2 VAL A 117 1.917 6.443 -10.900 1.00 44.30 C ATOM 0 H VAL A 117 3.338 3.598 -8.347 1.00 23.41 H new ATOM 0 HA VAL A 117 0.792 4.871 -9.017 1.00 24.03 H new ATOM 0 HB VAL A 117 2.896 6.214 -9.022 1.00 31.32 H new ATOM 0 HG11 VAL A 117 4.564 5.841 -10.790 1.00 65.05 H new ATOM 0 HG12 VAL A 117 4.454 4.453 -9.682 1.00 65.05 H new ATOM 0 HG13 VAL A 117 3.699 4.369 -11.291 1.00 65.05 H new ATOM 0 HG21 VAL A 117 2.577 7.243 -11.235 1.00 44.30 H new ATOM 0 HG22 VAL A 117 1.631 5.828 -11.753 1.00 44.30 H new ATOM 0 HG23 VAL A 117 1.024 6.875 -10.448 1.00 44.30 H new ATOM 64 N LEU A 118 0.236 3.653 -11.126 1.00 3.22 N ATOM 65 CA LEU A 118 -0.174 2.823 -12.253 1.00 24.42 C ATOM 66 C LEU A 118 0.109 3.524 -13.577 1.00 52.25 C ATOM 67 O LEU A 118 0.004 4.748 -13.645 1.00 71.11 O ATOM 68 CB LEU A 118 -1.662 2.485 -12.148 1.00 40.44 C ATOM 69 CG LEU A 118 -2.042 1.442 -11.097 1.00 3.11 C ATOM 70 CD1 LEU A 118 -3.171 1.957 -10.218 1.00 22.12 C ATOM 71 CD2 LEU A 118 -2.437 0.132 -11.763 1.00 41.55 C ATOM 0 H LEU A 118 -0.462 4.335 -10.829 1.00 3.22 H new ATOM 0 HA LEU A 118 0.404 1.900 -12.222 1.00 24.42 H new ATOM 0 HB2 LEU A 118 -2.208 3.403 -11.933 1.00 40.44 H new ATOM 0 HB3 LEU A 118 -2.003 2.132 -13.121 1.00 40.44 H new ATOM 0 HG LEU A 118 -1.173 1.257 -10.466 1.00 3.11 H new ATOM 0 HD11 LEU A 118 -3.428 1.201 -9.476 1.00 22.12 H new ATOM 0 HD12 LEU A 118 -2.852 2.868 -9.712 1.00 22.12 H new ATOM 0 HD13 LEU A 118 -4.044 2.171 -10.835 1.00 22.12 H new ATOM 0 HD21 LEU A 118 -2.704 -0.598 -10.999 1.00 41.55 H new ATOM 0 HD22 LEU A 118 -3.291 0.300 -12.419 1.00 41.55 H new ATOM 0 HD23 LEU A 118 -1.599 -0.246 -12.349 1.00 41.55 H new ATOM 83 N CYS A 119 0.455 2.744 -14.590 1.00 61.55 N ATOM 84 CA CYS A 119 0.745 3.302 -15.900 1.00 64.32 C ATOM 85 C CYS A 119 -0.457 4.139 -16.343 1.00 25.41 C ATOM 86 O CYS A 119 -1.506 3.621 -16.725 1.00 25.22 O ATOM 87 CB CYS A 119 1.087 2.211 -16.917 1.00 72.31 C ATOM 88 SG CYS A 119 1.704 2.968 -18.464 1.00 53.35 S ATOM 0 H CYS A 119 0.541 1.729 -14.530 1.00 61.55 H new ATOM 0 HA CYS A 119 1.627 3.939 -15.839 1.00 64.32 H new ATOM 0 HB2 CYS A 119 1.841 1.541 -16.504 1.00 72.31 H new ATOM 0 HB3 CYS A 119 0.204 1.607 -17.125 1.00 72.31 H new ATOM 0 HG CYS A 119 1.519 2.145 -19.453 1.00 53.35 H new ATOM 93 N GLN A 120 -0.278 5.454 -16.282 1.00 42.22 N ATOM 94 CA GLN A 120 -1.330 6.386 -16.670 1.00 11.22 C ATOM 95 C GLN A 120 -1.639 6.269 -18.159 1.00 14.53 C ATOM 96 O GLN A 120 -2.738 6.603 -18.603 1.00 50.40 O ATOM 97 CB GLN A 120 -0.919 7.821 -16.333 1.00 74.31 C ATOM 98 CG GLN A 120 -2.083 8.799 -16.320 1.00 45.55 C ATOM 99 CD GLN A 120 -1.996 9.823 -17.435 1.00 41.22 C ATOM 100 OE1 GLN A 120 -1.349 10.861 -17.292 1.00 11.13 O ATOM 101 NE2 GLN A 120 -2.649 9.536 -18.555 1.00 62.22 N ATOM 0 H GLN A 120 0.585 5.898 -15.968 1.00 42.22 H new ATOM 0 HA GLN A 120 -2.230 6.132 -16.110 1.00 11.22 H new ATOM 0 HB2 GLN A 120 -0.435 7.832 -15.356 1.00 74.31 H new ATOM 0 HB3 GLN A 120 -0.179 8.159 -17.059 1.00 74.31 H new ATOM 0 HG2 GLN A 120 -3.018 8.246 -16.411 1.00 45.55 H new ATOM 0 HG3 GLN A 120 -2.109 9.314 -15.360 1.00 45.55 H new ATOM 0 HE21 GLN A 120 -3.173 8.664 -18.631 1.00 62.22 H new ATOM 0 HE22 GLN A 120 -2.627 10.187 -19.340 1.00 62.22 H new ATOM 110 N PHE A 121 -0.664 5.794 -18.925 1.00 64.21 N ATOM 111 CA PHE A 121 -0.831 5.634 -20.365 1.00 12.31 C ATOM 112 C PHE A 121 -1.127 4.180 -20.720 1.00 51.12 C ATOM 113 O PHE A 121 -0.624 3.692 -21.731 1.00 22.01 O ATOM 114 CB PHE A 121 0.425 6.106 -21.101 1.00 75.43 C ATOM 115 CG PHE A 121 0.429 7.578 -21.396 1.00 40.35 C ATOM 116 CD1 PHE A 121 0.030 8.492 -20.435 1.00 11.34 C ATOM 117 CD2 PHE A 121 0.833 8.049 -22.636 1.00 31.25 C ATOM 118 CE1 PHE A 121 0.032 9.848 -20.704 1.00 64.20 C ATOM 119 CE2 PHE A 121 0.838 9.403 -22.911 1.00 11.34 C ATOM 120 CZ PHE A 121 0.438 10.304 -21.943 1.00 41.00 C ATOM 0 H PHE A 121 0.251 5.513 -18.573 1.00 64.21 H new ATOM 0 HA PHE A 121 -1.678 6.245 -20.678 1.00 12.31 H new ATOM 0 HB2 PHE A 121 1.301 5.861 -20.501 1.00 75.43 H new ATOM 0 HB3 PHE A 121 0.516 5.556 -22.037 1.00 75.43 H new ATOM 0 HD1 PHE A 121 -0.286 8.141 -19.464 1.00 11.34 H new ATOM 0 HD2 PHE A 121 1.148 7.349 -23.396 1.00 31.25 H new ATOM 0 HE1 PHE A 121 -0.284 10.550 -19.946 1.00 64.20 H new ATOM 0 HE2 PHE A 121 1.154 9.757 -23.881 1.00 11.34 H new ATOM 0 HZ PHE A 121 0.443 11.363 -22.155 1.00 41.00 H new ATOM 130 N CYS A 122 -1.928 3.528 -19.890 1.00 63.44 N ATOM 131 CA CYS A 122 -2.279 2.138 -20.127 1.00 60.34 C ATOM 132 C CYS A 122 -3.785 2.060 -20.387 1.00 2.30 C ATOM 133 O CYS A 122 -4.588 2.775 -19.787 1.00 20.53 O ATOM 134 CB CYS A 122 -1.854 1.240 -18.963 1.00 44.34 C ATOM 135 SG CYS A 122 -0.583 0.049 -19.524 1.00 24.12 S ATOM 0 H CYS A 122 -2.344 3.936 -19.053 1.00 63.44 H new ATOM 0 HA CYS A 122 -1.741 1.769 -21.000 1.00 60.34 H new ATOM 0 HB2 CYS A 122 -1.460 1.848 -18.149 1.00 44.34 H new ATOM 0 HB3 CYS A 122 -2.719 0.704 -18.571 1.00 44.34 H new ATOM 0 HG CYS A 122 0.210 0.629 -20.375 1.00 24.12 H new ATOM 140 N ASP A 123 -4.152 1.170 -21.302 1.00 44.01 N ATOM 141 CA ASP A 123 -5.552 0.976 -21.662 1.00 25.54 C ATOM 142 C ASP A 123 -5.923 -0.504 -21.621 1.00 4.43 C ATOM 143 O ASP A 123 -6.607 -1.006 -22.512 1.00 13.44 O ATOM 144 CB ASP A 123 -5.826 1.545 -23.054 1.00 74.23 C ATOM 145 CG ASP A 123 -7.261 2.007 -23.218 1.00 1.30 C ATOM 146 OD1 ASP A 123 -7.756 2.732 -22.329 1.00 40.24 O ATOM 147 OD2 ASP A 123 -7.888 1.645 -24.235 1.00 12.11 O ATOM 0 H ASP A 123 -3.500 0.571 -21.808 1.00 44.01 H new ATOM 0 HA ASP A 123 -6.166 1.507 -20.934 1.00 25.54 H new ATOM 0 HB2 ASP A 123 -5.154 2.383 -23.240 1.00 74.23 H new ATOM 0 HB3 ASP A 123 -5.604 0.786 -23.804 1.00 74.23 H new ATOM 152 N GLN A 124 -5.465 -1.195 -20.582 1.00 1.21 N ATOM 153 CA GLN A 124 -5.748 -2.617 -20.427 1.00 3.23 C ATOM 154 C GLN A 124 -7.074 -2.832 -19.705 1.00 24.55 C ATOM 155 O GLN A 124 -7.926 -3.593 -20.165 1.00 2.54 O ATOM 156 CB GLN A 124 -4.617 -3.302 -19.658 1.00 30.24 C ATOM 157 CG GLN A 124 -3.521 -3.856 -20.553 1.00 64.12 C ATOM 158 CD GLN A 124 -2.214 -4.067 -19.814 1.00 0.21 C ATOM 159 OE1 GLN A 124 -2.059 -5.033 -19.067 1.00 30.14 O ATOM 160 NE2 GLN A 124 -1.265 -3.161 -20.019 1.00 22.02 N ATOM 0 H GLN A 124 -4.897 -0.794 -19.836 1.00 1.21 H new ATOM 0 HA GLN A 124 -5.821 -3.059 -21.421 1.00 3.23 H new ATOM 0 HB2 GLN A 124 -4.179 -2.588 -18.961 1.00 30.24 H new ATOM 0 HB3 GLN A 124 -5.034 -4.114 -19.063 1.00 30.24 H new ATOM 0 HG2 GLN A 124 -3.850 -4.804 -20.979 1.00 64.12 H new ATOM 0 HG3 GLN A 124 -3.357 -3.172 -21.386 1.00 64.12 H new ATOM 0 HE21 GLN A 124 -1.437 -2.376 -20.647 1.00 22.02 H new ATOM 0 HE22 GLN A 124 -0.364 -3.250 -19.549 1.00 22.02 H new ATOM 169 N ASP A 125 -7.240 -2.160 -18.571 1.00 55.44 N ATOM 170 CA ASP A 125 -8.463 -2.277 -17.785 1.00 72.14 C ATOM 171 C ASP A 125 -8.661 -3.709 -17.299 1.00 20.32 C ATOM 172 O ASP A 125 -9.330 -4.521 -17.938 1.00 61.43 O ATOM 173 CB ASP A 125 -9.671 -1.835 -18.613 1.00 12.01 C ATOM 174 CG ASP A 125 -10.183 -0.468 -18.205 1.00 13.42 C ATOM 175 OD1 ASP A 125 -10.814 -0.366 -17.131 1.00 42.24 O ATOM 176 OD2 ASP A 125 -9.953 0.501 -18.958 1.00 61.15 O ATOM 0 H ASP A 125 -6.543 -1.529 -18.176 1.00 55.44 H new ATOM 0 HA ASP A 125 -8.371 -1.626 -16.915 1.00 72.14 H new ATOM 0 HB2 ASP A 125 -9.398 -1.817 -19.668 1.00 12.01 H new ATOM 0 HB3 ASP A 125 -10.471 -2.567 -18.503 1.00 12.01 H new ATOM 181 N PRO A 126 -8.065 -4.029 -16.140 1.00 50.34 N ATOM 182 CA PRO A 126 -7.266 -3.071 -15.371 1.00 1.42 C ATOM 183 C PRO A 126 -5.953 -2.723 -16.063 1.00 43.45 C ATOM 184 O PRO A 126 -5.462 -3.480 -16.900 1.00 4.01 O ATOM 185 CB PRO A 126 -6.998 -3.807 -14.056 1.00 71.31 C ATOM 186 CG PRO A 126 -7.091 -5.252 -14.406 1.00 24.40 C ATOM 187 CD PRO A 126 -8.125 -5.350 -15.493 1.00 50.10 C ATOM 0 HA PRO A 126 -7.782 -2.119 -15.245 1.00 1.42 H new ATOM 0 HB2 PRO A 126 -6.015 -3.559 -13.656 1.00 71.31 H new ATOM 0 HB3 PRO A 126 -7.729 -3.536 -13.294 1.00 71.31 H new ATOM 0 HG2 PRO A 126 -6.129 -5.633 -14.748 1.00 24.40 H new ATOM 0 HG3 PRO A 126 -7.379 -5.846 -13.539 1.00 24.40 H new ATOM 0 HD2 PRO A 126 -7.896 -6.152 -16.195 1.00 50.10 H new ATOM 0 HD3 PRO A 126 -9.116 -5.555 -15.088 1.00 50.10 H new ATOM 195 N ALA A 127 -5.389 -1.572 -15.709 1.00 61.52 N ATOM 196 CA ALA A 127 -4.131 -1.126 -16.295 1.00 52.12 C ATOM 197 C ALA A 127 -2.938 -1.685 -15.527 1.00 75.44 C ATOM 198 O ALA A 127 -3.077 -2.136 -14.391 1.00 14.14 O ATOM 199 CB ALA A 127 -4.074 0.394 -16.328 1.00 14.23 C ATOM 0 H ALA A 127 -5.784 -0.932 -15.020 1.00 61.52 H new ATOM 0 HA ALA A 127 -4.081 -1.503 -17.316 1.00 52.12 H new ATOM 0 HB1 ALA A 127 -3.129 0.713 -16.768 1.00 14.23 H new ATOM 0 HB2 ALA A 127 -4.901 0.776 -16.927 1.00 14.23 H new ATOM 0 HB3 ALA A 127 -4.151 0.783 -15.313 1.00 14.23 H new ATOM 205 N GLN A 128 -1.768 -1.654 -16.156 1.00 51.04 N ATOM 206 CA GLN A 128 -0.552 -2.160 -15.531 1.00 43.14 C ATOM 207 C GLN A 128 0.126 -1.075 -14.701 1.00 53.42 C ATOM 208 O GLN A 128 -0.345 0.062 -14.644 1.00 32.51 O ATOM 209 CB GLN A 128 0.415 -2.682 -16.596 1.00 52.11 C ATOM 210 CG GLN A 128 1.038 -4.024 -16.247 1.00 13.23 C ATOM 211 CD GLN A 128 2.376 -4.240 -16.925 1.00 4.15 C ATOM 212 OE1 GLN A 128 2.866 -3.372 -17.648 1.00 24.02 O ATOM 213 NE2 GLN A 128 2.977 -5.402 -16.694 1.00 15.34 N ATOM 0 H GLN A 128 -1.636 -1.284 -17.097 1.00 51.04 H new ATOM 0 HA GLN A 128 -0.829 -2.980 -14.868 1.00 43.14 H new ATOM 0 HB2 GLN A 128 -0.116 -2.773 -17.544 1.00 52.11 H new ATOM 0 HB3 GLN A 128 1.209 -1.950 -16.744 1.00 52.11 H new ATOM 0 HG2 GLN A 128 1.168 -4.090 -15.167 1.00 13.23 H new ATOM 0 HG3 GLN A 128 0.355 -4.823 -16.536 1.00 13.23 H new ATOM 0 HE21 GLN A 128 2.535 -6.093 -16.088 1.00 15.34 H new ATOM 0 HE22 GLN A 128 3.880 -5.603 -17.123 1.00 15.34 H new ATOM 222 N ASP A 129 1.232 -1.432 -14.059 1.00 63.12 N ATOM 223 CA ASP A 129 1.975 -0.488 -13.232 1.00 62.41 C ATOM 224 C ASP A 129 3.264 -0.056 -13.925 1.00 20.44 C ATOM 225 O ASP A 129 3.842 -0.809 -14.708 1.00 32.31 O ATOM 226 CB ASP A 129 2.296 -1.112 -11.873 1.00 3.53 C ATOM 227 CG ASP A 129 2.764 -2.549 -11.991 1.00 10.24 C ATOM 228 OD1 ASP A 129 3.334 -2.903 -13.044 1.00 72.21 O ATOM 229 OD2 ASP A 129 2.561 -3.319 -11.029 1.00 70.11 O ATOM 0 H ASP A 129 1.634 -2.369 -14.095 1.00 63.12 H new ATOM 0 HA ASP A 129 1.352 0.394 -13.081 1.00 62.41 H new ATOM 0 HB2 ASP A 129 3.067 -0.521 -11.379 1.00 3.53 H new ATOM 0 HB3 ASP A 129 1.409 -1.073 -11.240 1.00 3.53 H new ATOM 234 N ALA A 130 3.708 1.161 -13.631 1.00 1.32 N ATOM 235 CA ALA A 130 4.929 1.693 -14.224 1.00 54.23 C ATOM 236 C ALA A 130 6.164 1.181 -13.491 1.00 72.03 C ATOM 237 O ALA A 130 6.328 1.414 -12.294 1.00 25.23 O ATOM 238 CB ALA A 130 4.900 3.214 -14.216 1.00 2.44 C ATOM 0 H ALA A 130 3.241 1.798 -12.986 1.00 1.32 H new ATOM 0 HA ALA A 130 4.983 1.347 -15.256 1.00 54.23 H new ATOM 0 HB1 ALA A 130 5.818 3.598 -14.662 1.00 2.44 H new ATOM 0 HB2 ALA A 130 4.043 3.565 -14.791 1.00 2.44 H new ATOM 0 HB3 ALA A 130 4.818 3.571 -13.189 1.00 2.44 H new ATOM 244 N VAL A 131 7.030 0.481 -14.218 1.00 12.52 N ATOM 245 CA VAL A 131 8.251 -0.064 -13.636 1.00 53.44 C ATOM 246 C VAL A 131 9.483 0.662 -14.166 1.00 32.24 C ATOM 247 O VAL A 131 10.524 0.700 -13.510 1.00 2.12 O ATOM 248 CB VAL A 131 8.389 -1.569 -13.931 1.00 20.13 C ATOM 249 CG1 VAL A 131 7.241 -2.344 -13.301 1.00 64.02 C ATOM 250 CG2 VAL A 131 8.450 -1.815 -15.431 1.00 12.13 C ATOM 0 H VAL A 131 6.909 0.278 -15.210 1.00 12.52 H new ATOM 0 HA VAL A 131 8.182 0.083 -12.558 1.00 53.44 H new ATOM 0 HB VAL A 131 9.321 -1.924 -13.490 1.00 20.13 H new ATOM 0 HG11 VAL A 131 7.355 -3.406 -13.520 1.00 64.02 H new ATOM 0 HG12 VAL A 131 7.249 -2.193 -12.222 1.00 64.02 H new ATOM 0 HG13 VAL A 131 6.295 -1.989 -13.710 1.00 64.02 H new ATOM 0 HG21 VAL A 131 8.548 -2.884 -15.621 1.00 12.13 H new ATOM 0 HG22 VAL A 131 7.537 -1.445 -15.898 1.00 12.13 H new ATOM 0 HG23 VAL A 131 9.309 -1.292 -15.851 1.00 12.13 H new ATOM 260 N LYS A 132 9.358 1.237 -15.357 1.00 14.34 N ATOM 261 CA LYS A 132 10.460 1.964 -15.975 1.00 52.33 C ATOM 262 C LYS A 132 10.127 3.447 -16.108 1.00 23.01 C ATOM 263 O LYS A 132 8.963 3.842 -16.034 1.00 3.40 O ATOM 264 CB LYS A 132 10.776 1.377 -17.352 1.00 62.54 C ATOM 265 CG LYS A 132 11.846 0.298 -17.322 1.00 52.54 C ATOM 266 CD LYS A 132 12.234 -0.141 -18.724 1.00 74.32 C ATOM 267 CE LYS A 132 13.575 -0.858 -18.732 1.00 43.24 C ATOM 268 NZ LYS A 132 13.498 -2.172 -19.428 1.00 32.42 N ATOM 0 H LYS A 132 8.504 1.214 -15.914 1.00 14.34 H new ATOM 0 HA LYS A 132 11.335 1.862 -15.333 1.00 52.33 H new ATOM 0 HB2 LYS A 132 9.863 0.960 -17.778 1.00 62.54 H new ATOM 0 HB3 LYS A 132 11.100 2.180 -18.014 1.00 62.54 H new ATOM 0 HG2 LYS A 132 12.727 0.672 -16.800 1.00 52.54 H new ATOM 0 HG3 LYS A 132 11.482 -0.561 -16.758 1.00 52.54 H new ATOM 0 HD2 LYS A 132 11.465 -0.801 -19.126 1.00 74.32 H new ATOM 0 HD3 LYS A 132 12.281 0.729 -19.379 1.00 74.32 H new ATOM 0 HE2 LYS A 132 14.319 -0.231 -19.222 1.00 43.24 H new ATOM 0 HE3 LYS A 132 13.912 -1.010 -17.706 1.00 43.24 H new ATOM 0 HZ1 LYS A 132 14.432 -2.629 -19.412 1.00 32.42 H new ATOM 0 HZ2 LYS A 132 12.807 -2.781 -18.945 1.00 32.42 H new ATOM 0 HZ3 LYS A 132 13.201 -2.026 -20.414 1.00 32.42 H new ATOM 282 N THR A 133 11.157 4.265 -16.306 1.00 31.53 N ATOM 283 CA THR A 133 10.974 5.703 -16.449 1.00 52.31 C ATOM 284 C THR A 133 12.091 6.319 -17.283 1.00 41.24 C ATOM 285 O THR A 133 13.262 6.066 -17.002 1.00 55.21 O ATOM 286 CB THR A 133 10.927 6.403 -15.078 1.00 1.13 C ATOM 287 OG1 THR A 133 9.907 5.815 -14.262 1.00 42.43 O ATOM 288 CG2 THR A 133 10.660 7.892 -15.239 1.00 34.13 C ATOM 0 H THR A 133 12.127 3.955 -16.371 1.00 31.53 H new ATOM 0 HA THR A 133 10.021 5.851 -16.957 1.00 52.31 H new ATOM 0 HB THR A 133 11.896 6.274 -14.596 1.00 1.13 H new ATOM 0 HG1 THR A 133 10.297 5.102 -13.714 1.00 42.43 H new ATOM 0 HG21 THR A 133 10.631 8.365 -14.257 1.00 34.13 H new ATOM 0 HG22 THR A 133 11.454 8.342 -15.835 1.00 34.13 H new ATOM 0 HG23 THR A 133 9.703 8.038 -15.740 1.00 34.13 H new ATOM 296 N CYS A 134 11.712 7.106 -18.280 1.00 31.12 N ATOM 297 CA CYS A 134 12.691 7.748 -19.141 1.00 32.42 C ATOM 298 C CYS A 134 12.865 9.194 -18.675 1.00 50.50 C ATOM 299 O CYS A 134 11.926 9.990 -18.649 1.00 73.12 O ATOM 300 CB CYS A 134 12.287 7.667 -20.614 1.00 42.04 C ATOM 301 SG CYS A 134 13.514 8.548 -21.648 1.00 72.32 S ATOM 0 H CYS A 134 10.740 7.313 -18.511 1.00 31.12 H new ATOM 0 HA CYS A 134 13.645 7.226 -19.065 1.00 32.42 H new ATOM 0 HB2 CYS A 134 12.219 6.624 -20.924 1.00 42.04 H new ATOM 0 HB3 CYS A 134 11.299 8.106 -20.754 1.00 42.04 H new ATOM 0 HG CYS A 134 14.674 7.972 -21.530 1.00 72.32 H new ATOM 306 N VAL A 135 14.099 9.521 -18.304 1.00 62.43 N ATOM 307 CA VAL A 135 14.428 10.862 -17.837 1.00 33.04 C ATOM 308 C VAL A 135 14.342 11.876 -18.972 1.00 14.13 C ATOM 309 O VAL A 135 13.913 13.013 -18.773 1.00 11.33 O ATOM 310 CB VAL A 135 15.840 10.913 -17.224 1.00 32.54 C ATOM 311 CG1 VAL A 135 15.909 10.053 -15.970 1.00 41.34 C ATOM 312 CG2 VAL A 135 16.879 10.469 -18.242 1.00 74.34 C ATOM 0 H VAL A 135 14.888 8.875 -18.318 1.00 62.43 H new ATOM 0 HA VAL A 135 13.697 11.117 -17.069 1.00 33.04 H new ATOM 0 HB VAL A 135 16.058 11.943 -16.942 1.00 32.54 H new ATOM 0 HG11 VAL A 135 16.914 10.101 -15.551 1.00 41.34 H new ATOM 0 HG12 VAL A 135 15.192 10.421 -15.236 1.00 41.34 H new ATOM 0 HG13 VAL A 135 15.671 9.020 -16.224 1.00 41.34 H new ATOM 0 HG21 VAL A 135 17.871 10.511 -17.792 1.00 74.34 H new ATOM 0 HG22 VAL A 135 16.667 9.447 -18.557 1.00 74.34 H new ATOM 0 HG23 VAL A 135 16.845 11.130 -19.108 1.00 74.34 H new ATOM 322 N THR A 136 14.752 11.457 -20.165 1.00 11.12 N ATOM 323 CA THR A 136 14.722 12.328 -21.333 1.00 1.43 C ATOM 324 C THR A 136 13.289 12.635 -21.753 1.00 44.14 C ATOM 325 O THR A 136 13.063 13.637 -22.431 1.00 35.44 O ATOM 326 CB THR A 136 15.471 11.699 -22.523 1.00 31.25 C ATOM 327 OG1 THR A 136 16.786 11.301 -22.119 1.00 10.32 O ATOM 328 CG2 THR A 136 15.566 12.679 -23.682 1.00 75.11 C ATOM 0 H THR A 136 15.109 10.519 -20.348 1.00 11.12 H new ATOM 0 HA THR A 136 15.221 13.255 -21.049 1.00 1.43 H new ATOM 0 HB THR A 136 14.912 10.823 -22.854 1.00 31.25 H new ATOM 0 HG1 THR A 136 17.356 11.204 -22.910 1.00 10.32 H new ATOM 0 HG21 THR A 136 16.099 12.212 -24.510 1.00 75.11 H new ATOM 0 HG22 THR A 136 14.563 12.957 -24.006 1.00 75.11 H new ATOM 0 HG23 THR A 136 16.104 13.571 -23.361 1.00 75.11 H new ATOM 336 N CYS A 137 12.364 11.778 -21.348 1.00 61.22 N ATOM 337 CA CYS A 137 10.965 11.970 -21.689 1.00 51.14 C ATOM 338 C CYS A 137 10.277 12.674 -20.518 1.00 41.42 C ATOM 339 O CYS A 137 9.262 13.353 -20.671 1.00 44.42 O ATOM 340 CB CYS A 137 10.281 10.647 -22.041 1.00 3.22 C ATOM 341 SG CYS A 137 10.739 10.137 -23.738 1.00 1.53 S ATOM 0 H CYS A 137 12.556 10.948 -20.787 1.00 61.22 H new ATOM 0 HA CYS A 137 10.888 12.591 -22.581 1.00 51.14 H new ATOM 0 HB2 CYS A 137 10.575 9.876 -21.329 1.00 3.22 H new ATOM 0 HB3 CYS A 137 9.199 10.756 -21.965 1.00 3.22 H new ATOM 0 HG CYS A 137 10.155 9.012 -24.026 1.00 1.53 H new ATOM 346 N GLU A 138 10.858 12.496 -19.336 1.00 32.52 N ATOM 347 CA GLU A 138 10.321 13.101 -18.123 1.00 4.24 C ATOM 348 C GLU A 138 8.953 12.517 -17.782 1.00 43.20 C ATOM 349 O GLU A 138 8.062 13.226 -17.314 1.00 23.03 O ATOM 350 CB GLU A 138 10.213 14.618 -18.288 1.00 45.53 C ATOM 351 CG GLU A 138 10.200 15.375 -16.971 1.00 15.13 C ATOM 352 CD GLU A 138 9.846 16.840 -17.143 1.00 21.33 C ATOM 353 OE1 GLU A 138 9.755 17.295 -18.302 1.00 52.01 O ATOM 354 OE2 GLU A 138 9.661 17.530 -16.119 1.00 3.21 O ATOM 0 H GLU A 138 11.700 11.938 -19.193 1.00 32.52 H new ATOM 0 HA GLU A 138 11.005 12.879 -17.304 1.00 4.24 H new ATOM 0 HB2 GLU A 138 11.050 14.970 -18.891 1.00 45.53 H new ATOM 0 HB3 GLU A 138 9.302 14.851 -18.840 1.00 45.53 H new ATOM 0 HG2 GLU A 138 9.483 14.909 -16.295 1.00 15.13 H new ATOM 0 HG3 GLU A 138 11.180 15.295 -16.500 1.00 15.13 H new ATOM 361 N VAL A 139 8.794 11.219 -18.021 1.00 42.34 N ATOM 362 CA VAL A 139 7.536 10.539 -17.740 1.00 72.31 C ATOM 363 C VAL A 139 7.779 9.123 -17.228 1.00 40.43 C ATOM 364 O VAL A 139 8.824 8.528 -17.491 1.00 52.15 O ATOM 365 CB VAL A 139 6.641 10.473 -18.992 1.00 50.41 C ATOM 366 CG1 VAL A 139 5.224 10.070 -18.615 1.00 54.20 C ATOM 367 CG2 VAL A 139 6.648 11.808 -19.722 1.00 1.23 C ATOM 0 H VAL A 139 9.521 10.618 -18.409 1.00 42.34 H new ATOM 0 HA VAL A 139 7.028 11.119 -16.970 1.00 72.31 H new ATOM 0 HB VAL A 139 7.042 9.715 -19.664 1.00 50.41 H new ATOM 0 HG11 VAL A 139 4.607 10.029 -19.512 1.00 54.20 H new ATOM 0 HG12 VAL A 139 5.239 9.089 -18.139 1.00 54.20 H new ATOM 0 HG13 VAL A 139 4.809 10.803 -17.923 1.00 54.20 H new ATOM 0 HG21 VAL A 139 6.011 11.744 -20.604 1.00 1.23 H new ATOM 0 HG22 VAL A 139 6.272 12.587 -19.059 1.00 1.23 H new ATOM 0 HG23 VAL A 139 7.666 12.051 -20.027 1.00 1.23 H new ATOM 377 N SER A 140 6.807 8.590 -16.496 1.00 32.23 N ATOM 378 CA SER A 140 6.916 7.245 -15.943 1.00 62.45 C ATOM 379 C SER A 140 5.861 6.323 -16.546 1.00 35.51 C ATOM 380 O SER A 140 4.660 6.546 -16.385 1.00 24.54 O ATOM 381 CB SER A 140 6.768 7.282 -14.421 1.00 64.22 C ATOM 382 OG SER A 140 7.313 6.116 -13.827 1.00 52.03 O ATOM 0 H SER A 140 5.935 9.069 -16.272 1.00 32.23 H new ATOM 0 HA SER A 140 7.902 6.854 -16.195 1.00 62.45 H new ATOM 0 HB2 SER A 140 7.270 8.165 -14.025 1.00 64.22 H new ATOM 0 HB3 SER A 140 5.714 7.370 -14.157 1.00 64.22 H new ATOM 0 HG SER A 140 8.247 6.013 -14.105 1.00 52.03 H new ATOM 388 N TYR A 141 6.316 5.286 -17.241 1.00 5.34 N ATOM 389 CA TYR A 141 5.413 4.331 -17.870 1.00 33.20 C ATOM 390 C TYR A 141 5.792 2.899 -17.503 1.00 14.20 C ATOM 391 O TYR A 141 6.750 2.701 -16.758 1.00 32.24 O ATOM 392 CB TYR A 141 5.434 4.502 -19.390 1.00 34.02 C ATOM 393 CG TYR A 141 4.838 5.810 -19.860 1.00 60.21 C ATOM 394 CD1 TYR A 141 3.689 6.324 -19.273 1.00 33.24 C ATOM 395 CD2 TYR A 141 5.426 6.532 -20.892 1.00 34.04 C ATOM 396 CE1 TYR A 141 3.141 7.518 -19.700 1.00 31.23 C ATOM 397 CE2 TYR A 141 4.886 7.728 -21.324 1.00 75.33 C ATOM 398 CZ TYR A 141 3.743 8.216 -20.726 1.00 10.14 C ATOM 399 OH TYR A 141 3.201 9.407 -21.153 1.00 22.30 O ATOM 0 H TYR A 141 7.306 5.086 -17.383 1.00 5.34 H new ATOM 0 HA TYR A 141 4.406 4.527 -17.503 1.00 33.20 H new ATOM 0 HB2 TYR A 141 6.464 4.435 -19.741 1.00 34.02 H new ATOM 0 HB3 TYR A 141 4.887 3.678 -19.848 1.00 34.02 H new ATOM 0 HD1 TYR A 141 3.216 5.781 -18.469 1.00 33.24 H new ATOM 0 HD2 TYR A 141 6.320 6.152 -21.364 1.00 34.04 H new ATOM 0 HE1 TYR A 141 2.246 7.903 -19.233 1.00 31.23 H new ATOM 0 HE2 TYR A 141 5.356 8.278 -22.126 1.00 75.33 H new ATOM 0 HH TYR A 141 2.238 9.295 -21.298 1.00 22.30 H new ATOM 409 N CYS A 142 5.040 1.944 -18.029 1.00 73.42 N ATOM 410 CA CYS A 142 5.306 0.543 -17.751 1.00 25.34 C ATOM 411 C CYS A 142 6.148 -0.023 -18.897 1.00 35.24 C ATOM 412 O CYS A 142 6.288 0.578 -19.962 1.00 3.35 O ATOM 413 CB CYS A 142 4.014 -0.250 -17.546 1.00 53.42 C ATOM 414 SG CYS A 142 3.195 -0.539 -19.157 1.00 44.34 S ATOM 0 H CYS A 142 4.246 2.113 -18.647 1.00 73.42 H new ATOM 0 HA CYS A 142 5.860 0.455 -16.816 1.00 25.34 H new ATOM 0 HB2 CYS A 142 4.235 -1.203 -17.065 1.00 53.42 H new ATOM 0 HB3 CYS A 142 3.344 0.295 -16.881 1.00 53.42 H new ATOM 0 HG CYS A 142 1.929 -0.260 -19.056 1.00 44.34 H new ATOM 419 N ASP A 143 6.707 -1.203 -18.653 1.00 4.13 N ATOM 420 CA ASP A 143 7.538 -1.875 -19.645 1.00 51.03 C ATOM 421 C ASP A 143 6.775 -2.066 -20.953 1.00 1.25 C ATOM 422 O ASP A 143 7.339 -1.924 -22.037 1.00 20.01 O ATOM 423 CB ASP A 143 8.010 -3.229 -19.114 1.00 23.13 C ATOM 424 CG ASP A 143 8.916 -3.951 -20.092 1.00 33.20 C ATOM 425 OD1 ASP A 143 8.390 -4.567 -21.043 1.00 1.33 O ATOM 426 OD2 ASP A 143 10.150 -3.902 -19.906 1.00 51.44 O ATOM 0 H ASP A 143 6.600 -1.714 -17.777 1.00 4.13 H new ATOM 0 HA ASP A 143 8.407 -1.247 -19.840 1.00 51.03 H new ATOM 0 HB2 ASP A 143 8.540 -3.082 -18.173 1.00 23.13 H new ATOM 0 HB3 ASP A 143 7.143 -3.853 -18.898 1.00 23.13 H new ATOM 431 N GLU A 144 5.491 -2.389 -20.841 1.00 35.24 N ATOM 432 CA GLU A 144 4.652 -2.601 -22.014 1.00 72.34 C ATOM 433 C GLU A 144 4.723 -1.404 -22.957 1.00 52.35 C ATOM 434 O GLU A 144 5.236 -1.540 -24.067 1.00 2.30 O ATOM 435 CB GLU A 144 3.201 -2.848 -21.594 1.00 63.45 C ATOM 436 CG GLU A 144 2.579 -4.072 -22.246 1.00 22.25 C ATOM 437 CD GLU A 144 1.631 -4.808 -21.318 1.00 41.34 C ATOM 438 OE1 GLU A 144 2.077 -5.243 -20.236 1.00 51.32 O ATOM 439 OE2 GLU A 144 0.443 -4.948 -21.676 1.00 14.12 O ATOM 0 H GLU A 144 5.009 -2.510 -19.950 1.00 35.24 H new ATOM 0 HA GLU A 144 5.024 -3.480 -22.541 1.00 72.34 H new ATOM 0 HB2 GLU A 144 3.160 -2.963 -20.511 1.00 63.45 H new ATOM 0 HB3 GLU A 144 2.605 -1.971 -21.844 1.00 63.45 H new ATOM 0 HG2 GLU A 144 2.040 -3.767 -23.143 1.00 22.25 H new ATOM 0 HG3 GLU A 144 3.370 -4.751 -22.565 1.00 22.25 H new ATOM 446 N CYS A 145 4.211 -0.270 -22.501 1.00 41.12 N ATOM 447 CA CYS A 145 4.222 0.936 -23.312 1.00 23.12 C ATOM 448 C CYS A 145 5.673 1.257 -23.675 1.00 5.44 C ATOM 449 O CYS A 145 6.007 1.570 -24.818 1.00 62.04 O ATOM 450 CB CYS A 145 3.540 2.104 -22.597 1.00 43.32 C ATOM 451 SG CYS A 145 1.863 1.613 -22.056 1.00 13.44 S ATOM 0 H CYS A 145 3.786 -0.161 -21.580 1.00 41.12 H new ATOM 0 HA CYS A 145 3.649 0.770 -24.224 1.00 23.12 H new ATOM 0 HB2 CYS A 145 4.134 2.411 -21.736 1.00 43.32 H new ATOM 0 HB3 CYS A 145 3.479 2.964 -23.264 1.00 43.32 H new ATOM 0 HG CYS A 145 1.100 2.664 -22.002 1.00 13.44 H new ATOM 456 N LEU A 146 6.536 1.173 -22.668 1.00 13.45 N ATOM 457 CA LEU A 146 7.956 1.450 -22.852 1.00 23.44 C ATOM 458 C LEU A 146 8.508 0.689 -24.053 1.00 73.21 C ATOM 459 O LEU A 146 9.452 1.135 -24.705 1.00 1.43 O ATOM 460 CB LEU A 146 8.737 1.071 -21.592 1.00 10.02 C ATOM 461 CG LEU A 146 10.196 1.527 -21.544 1.00 31.50 C ATOM 462 CD1 LEU A 146 11.071 0.604 -22.378 1.00 32.41 C ATOM 463 CD2 LEU A 146 10.322 2.964 -22.027 1.00 12.11 C ATOM 0 H LEU A 146 6.277 0.915 -21.716 1.00 13.45 H new ATOM 0 HA LEU A 146 8.072 2.518 -23.037 1.00 23.44 H new ATOM 0 HB2 LEU A 146 8.219 1.487 -20.728 1.00 10.02 H new ATOM 0 HB3 LEU A 146 8.713 -0.014 -21.486 1.00 10.02 H new ATOM 0 HG LEU A 146 10.537 1.481 -20.510 1.00 31.50 H new ATOM 0 HD11 LEU A 146 12.106 0.944 -22.332 1.00 32.41 H new ATOM 0 HD12 LEU A 146 11.005 -0.411 -21.987 1.00 32.41 H new ATOM 0 HD13 LEU A 146 10.730 0.617 -23.413 1.00 32.41 H new ATOM 0 HD21 LEU A 146 11.367 3.271 -21.986 1.00 12.11 H new ATOM 0 HD22 LEU A 146 9.963 3.036 -23.054 1.00 12.11 H new ATOM 0 HD23 LEU A 146 9.727 3.616 -21.388 1.00 12.11 H new ATOM 475 N LYS A 147 7.911 -0.462 -24.343 1.00 34.21 N ATOM 476 CA LYS A 147 8.338 -1.285 -25.468 1.00 44.32 C ATOM 477 C LYS A 147 7.901 -0.666 -26.792 1.00 12.21 C ATOM 478 O LYS A 147 8.673 -0.614 -27.749 1.00 11.12 O ATOM 479 CB LYS A 147 7.766 -2.698 -25.340 1.00 61.31 C ATOM 480 CG LYS A 147 8.550 -3.744 -26.113 1.00 61.33 C ATOM 481 CD LYS A 147 7.699 -4.966 -26.419 1.00 44.30 C ATOM 482 CE LYS A 147 8.551 -6.135 -26.889 1.00 42.35 C ATOM 483 NZ LYS A 147 9.288 -5.815 -28.144 1.00 34.03 N ATOM 0 H LYS A 147 7.129 -0.846 -23.813 1.00 34.21 H new ATOM 0 HA LYS A 147 9.427 -1.338 -25.454 1.00 44.32 H new ATOM 0 HB2 LYS A 147 7.744 -2.978 -24.287 1.00 61.31 H new ATOM 0 HB3 LYS A 147 6.734 -2.696 -25.691 1.00 61.31 H new ATOM 0 HG2 LYS A 147 8.915 -3.311 -27.044 1.00 61.33 H new ATOM 0 HG3 LYS A 147 9.425 -4.044 -25.536 1.00 61.33 H new ATOM 0 HD2 LYS A 147 7.142 -5.255 -25.528 1.00 44.30 H new ATOM 0 HD3 LYS A 147 6.966 -4.717 -27.186 1.00 44.30 H new ATOM 0 HE2 LYS A 147 9.263 -6.403 -26.108 1.00 42.35 H new ATOM 0 HE3 LYS A 147 7.915 -7.005 -27.053 1.00 42.35 H new ATOM 0 HZ1 LYS A 147 9.762 -6.671 -28.496 1.00 34.03 H new ATOM 0 HZ2 LYS A 147 8.619 -5.470 -28.861 1.00 34.03 H new ATOM 0 HZ3 LYS A 147 9.998 -5.080 -27.952 1.00 34.03 H new ATOM 497 N ALA A 148 6.658 -0.197 -26.838 1.00 43.54 N ATOM 498 CA ALA A 148 6.120 0.422 -28.043 1.00 50.04 C ATOM 499 C ALA A 148 6.779 1.771 -28.309 1.00 52.32 C ATOM 500 O ALA A 148 7.199 2.059 -29.431 1.00 12.45 O ATOM 501 CB ALA A 148 4.612 0.583 -27.925 1.00 54.23 C ATOM 0 H ALA A 148 6.005 -0.234 -26.055 1.00 43.54 H new ATOM 0 HA ALA A 148 6.340 -0.232 -28.887 1.00 50.04 H new ATOM 0 HB1 ALA A 148 4.224 1.047 -28.832 1.00 54.23 H new ATOM 0 HB2 ALA A 148 4.151 -0.396 -27.792 1.00 54.23 H new ATOM 0 HB3 ALA A 148 4.379 1.214 -27.067 1.00 54.23 H new ATOM 507 N THR A 149 6.866 2.597 -27.271 1.00 22.02 N ATOM 508 CA THR A 149 7.472 3.917 -27.393 1.00 21.24 C ATOM 509 C THR A 149 8.978 3.813 -27.605 1.00 21.11 C ATOM 510 O THR A 149 9.545 4.505 -28.451 1.00 2.21 O ATOM 511 CB THR A 149 7.199 4.778 -26.145 1.00 22.42 C ATOM 512 OG1 THR A 149 7.528 4.042 -24.961 1.00 13.21 O ATOM 513 CG2 THR A 149 5.741 5.208 -26.092 1.00 70.24 C ATOM 0 H THR A 149 6.524 2.375 -26.336 1.00 22.02 H new ATOM 0 HA THR A 149 7.018 4.394 -28.261 1.00 21.24 H new ATOM 0 HB THR A 149 7.822 5.670 -26.203 1.00 22.42 H new ATOM 0 HG1 THR A 149 6.906 3.292 -24.859 1.00 13.21 H new ATOM 0 HG21 THR A 149 5.573 5.815 -25.202 1.00 70.24 H new ATOM 0 HG22 THR A 149 5.502 5.792 -26.980 1.00 70.24 H new ATOM 0 HG23 THR A 149 5.102 4.325 -26.055 1.00 70.24 H new ATOM 521 N HIS A 150 9.621 2.943 -26.832 1.00 44.42 N ATOM 522 CA HIS A 150 11.063 2.748 -26.937 1.00 41.12 C ATOM 523 C HIS A 150 11.388 1.319 -27.361 1.00 63.02 C ATOM 524 O HIS A 150 11.585 0.430 -26.533 1.00 64.50 O ATOM 525 CB HIS A 150 11.740 3.063 -25.603 1.00 1.10 C ATOM 526 CG HIS A 150 11.550 4.480 -25.155 1.00 23.52 C ATOM 527 ND1 HIS A 150 10.837 5.410 -25.881 1.00 33.51 N ATOM 528 CD2 HIS A 150 11.985 5.123 -24.046 1.00 34.01 C ATOM 529 CE1 HIS A 150 10.842 6.564 -25.239 1.00 14.10 C ATOM 530 NE2 HIS A 150 11.531 6.417 -24.122 1.00 61.10 N ATOM 0 H HIS A 150 9.167 2.363 -26.127 1.00 44.42 H new ATOM 0 HA HIS A 150 11.443 3.430 -27.698 1.00 41.12 H new ATOM 0 HB2 HIS A 150 11.347 2.393 -24.838 1.00 1.10 H new ATOM 0 HB3 HIS A 150 12.807 2.858 -25.689 1.00 1.10 H new ATOM 0 HD2 HIS A 150 12.578 4.698 -23.250 1.00 34.01 H new ATOM 0 HE1 HIS A 150 10.364 7.474 -25.571 1.00 14.10 H new ATOM 0 HE2 HIS A 150 11.699 7.146 -23.428 1.00 61.10 H new ATOM 664 N HIS A 159 17.596 6.070 -26.215 1.00 34.11 N ATOM 665 CA HIS A 159 17.001 6.924 -25.193 1.00 4.13 C ATOM 666 C HIS A 159 17.700 6.732 -23.850 1.00 64.53 C ATOM 667 O HIS A 159 18.545 5.848 -23.700 1.00 51.44 O ATOM 668 CB HIS A 159 15.509 6.624 -25.052 1.00 31.35 C ATOM 669 CG HIS A 159 14.639 7.495 -25.905 1.00 22.04 C ATOM 670 ND1 HIS A 159 13.497 8.108 -25.435 1.00 75.33 N ATOM 671 CD2 HIS A 159 14.751 7.856 -27.204 1.00 45.52 C ATOM 672 CE1 HIS A 159 12.943 8.807 -26.410 1.00 34.14 C ATOM 673 NE2 HIS A 159 13.685 8.672 -27.494 1.00 31.53 N ATOM 0 HA HIS A 159 17.127 7.961 -25.503 1.00 4.13 H new ATOM 0 HB2 HIS A 159 15.331 5.581 -25.312 1.00 31.35 H new ATOM 0 HB3 HIS A 159 15.219 6.746 -24.008 1.00 31.35 H new ATOM 0 HD1 HIS A 159 13.136 8.034 -24.484 1.00 75.33 H new ATOM 0 HD2 HIS A 159 15.533 7.558 -27.886 1.00 45.52 H new ATOM 0 HE1 HIS A 159 12.037 9.390 -26.333 1.00 34.14 H new ATOM 680 N ARG A 160 17.343 7.564 -22.878 1.00 2.02 N ATOM 681 CA ARG A 160 17.938 7.486 -21.549 1.00 14.41 C ATOM 682 C ARG A 160 17.013 6.753 -20.582 1.00 13.44 C ATOM 683 O ARG A 160 15.810 6.638 -20.822 1.00 42.33 O ATOM 684 CB ARG A 160 18.239 8.889 -21.019 1.00 11.41 C ATOM 685 CG ARG A 160 19.434 8.943 -20.081 1.00 32.40 C ATOM 686 CD ARG A 160 20.020 10.344 -20.004 1.00 34.10 C ATOM 687 NE ARG A 160 21.444 10.360 -20.324 1.00 24.20 N ATOM 688 CZ ARG A 160 22.234 11.406 -20.109 1.00 23.13 C ATOM 689 NH1 ARG A 160 21.741 12.515 -19.575 1.00 73.14 N ATOM 690 NH2 ARG A 160 23.521 11.344 -20.427 1.00 21.44 N ATOM 0 H ARG A 160 16.645 8.300 -22.985 1.00 2.02 H new ATOM 0 HA ARG A 160 18.870 6.927 -21.628 1.00 14.41 H new ATOM 0 HB2 ARG A 160 18.419 9.556 -21.862 1.00 11.41 H new ATOM 0 HB3 ARG A 160 17.360 9.267 -20.496 1.00 11.41 H new ATOM 0 HG2 ARG A 160 19.131 8.619 -19.085 1.00 32.40 H new ATOM 0 HG3 ARG A 160 20.199 8.246 -20.424 1.00 32.40 H new ATOM 0 HD2 ARG A 160 19.486 10.998 -20.693 1.00 34.10 H new ATOM 0 HD3 ARG A 160 19.869 10.745 -19.002 1.00 34.10 H new ATOM 0 HE ARG A 160 21.855 9.522 -20.735 1.00 24.20 H new ATOM 0 HH11 ARG A 160 20.753 12.567 -19.328 1.00 73.14 H new ATOM 0 HH12 ARG A 160 22.350 13.317 -19.411 1.00 73.14 H new ATOM 0 HH21 ARG A 160 23.905 10.492 -20.837 1.00 21.44 H new ATOM 0 HH22 ARG A 160 24.127 12.148 -20.261 1.00 21.44 H new ATOM 704 N LEU A 161 17.581 6.259 -19.488 1.00 24.14 N ATOM 705 CA LEU A 161 16.809 5.536 -18.483 1.00 55.24 C ATOM 706 C LEU A 161 17.681 5.165 -17.288 1.00 55.22 C ATOM 707 O LEU A 161 18.873 5.472 -17.259 1.00 32.45 O ATOM 708 CB LEU A 161 16.196 4.274 -19.094 1.00 10.34 C ATOM 709 CG LEU A 161 14.791 3.910 -18.613 1.00 11.23 C ATOM 710 CD1 LEU A 161 13.740 4.485 -19.550 1.00 3.10 C ATOM 711 CD2 LEU A 161 14.640 2.400 -18.501 1.00 50.14 C ATOM 0 H LEU A 161 18.574 6.346 -19.274 1.00 24.14 H new ATOM 0 HA LEU A 161 16.009 6.190 -18.135 1.00 55.24 H new ATOM 0 HB2 LEU A 161 16.168 4.396 -20.177 1.00 10.34 H new ATOM 0 HB3 LEU A 161 16.859 3.434 -18.885 1.00 10.34 H new ATOM 0 HG LEU A 161 14.643 4.344 -17.624 1.00 11.23 H new ATOM 0 HD11 LEU A 161 12.747 4.216 -19.192 1.00 3.10 H new ATOM 0 HD12 LEU A 161 13.833 5.571 -19.579 1.00 3.10 H new ATOM 0 HD13 LEU A 161 13.886 4.081 -20.552 1.00 3.10 H new ATOM 0 HD21 LEU A 161 13.634 2.159 -18.157 1.00 50.14 H new ATOM 0 HD22 LEU A 161 14.809 1.944 -19.477 1.00 50.14 H new ATOM 0 HD23 LEU A 161 15.369 2.013 -17.789 1.00 50.14 H new ATOM 723 N ILE A 162 17.079 4.503 -16.306 1.00 74.43 N ATOM 724 CA ILE A 162 17.801 4.087 -15.111 1.00 24.13 C ATOM 725 C ILE A 162 18.145 2.602 -15.165 1.00 3.34 C ATOM 726 O ILE A 162 17.432 1.812 -15.782 1.00 42.53 O ATOM 727 CB ILE A 162 16.987 4.368 -13.834 1.00 74.43 C ATOM 728 CG1 ILE A 162 16.439 5.796 -13.857 1.00 34.05 C ATOM 729 CG2 ILE A 162 17.845 4.143 -12.598 1.00 74.21 C ATOM 730 CD1 ILE A 162 14.960 5.871 -14.165 1.00 14.04 C ATOM 0 H ILE A 162 16.093 4.243 -16.315 1.00 74.43 H new ATOM 0 HA ILE A 162 18.722 4.670 -15.080 1.00 24.13 H new ATOM 0 HB ILE A 162 16.145 3.676 -13.798 1.00 74.43 H new ATOM 0 HG12 ILE A 162 16.625 6.263 -12.890 1.00 34.05 H new ATOM 0 HG13 ILE A 162 16.987 6.375 -14.601 1.00 34.05 H new ATOM 0 HG21 ILE A 162 17.255 4.346 -11.704 1.00 74.21 H new ATOM 0 HG22 ILE A 162 18.191 3.109 -12.578 1.00 74.21 H new ATOM 0 HG23 ILE A 162 18.705 4.812 -12.625 1.00 74.21 H new ATOM 0 HD11 ILE A 162 14.641 6.913 -14.165 1.00 14.04 H new ATOM 0 HD12 ILE A 162 14.770 5.433 -15.145 1.00 14.04 H new ATOM 0 HD13 ILE A 162 14.402 5.320 -13.407 1.00 14.04 H new ATOM 894 N LEU A 173 23.142 -4.517 -9.334 1.00 64.35 N ATOM 895 CA LEU A 173 23.900 -3.802 -10.356 1.00 23.35 C ATOM 896 C LEU A 173 24.287 -2.409 -9.870 1.00 44.14 C ATOM 897 O LEU A 173 23.810 -1.947 -8.834 1.00 41.15 O ATOM 898 CB LEU A 173 23.084 -3.697 -11.645 1.00 31.42 C ATOM 899 CG LEU A 173 23.641 -4.449 -12.855 1.00 15.43 C ATOM 900 CD1 LEU A 173 22.664 -4.385 -14.018 1.00 54.35 C ATOM 901 CD2 LEU A 173 24.993 -3.880 -13.259 1.00 71.35 C ATOM 0 HA LEU A 173 24.812 -4.364 -10.557 1.00 23.35 H new ATOM 0 HB2 LEU A 173 22.078 -4.065 -11.445 1.00 31.42 H new ATOM 0 HB3 LEU A 173 22.992 -2.643 -11.908 1.00 31.42 H new ATOM 0 HG LEU A 173 23.777 -5.495 -12.579 1.00 15.43 H new ATOM 0 HD11 LEU A 173 23.077 -4.925 -14.870 1.00 54.35 H new ATOM 0 HD12 LEU A 173 21.718 -4.840 -13.724 1.00 54.35 H new ATOM 0 HD13 LEU A 173 22.496 -3.344 -14.295 1.00 54.35 H new ATOM 0 HD21 LEU A 173 25.375 -4.427 -14.121 1.00 71.35 H new ATOM 0 HD22 LEU A 173 24.882 -2.827 -13.517 1.00 71.35 H new ATOM 0 HD23 LEU A 173 25.692 -3.978 -12.428 1.00 71.35 H new ATOM 913 N MET A 174 25.154 -1.744 -10.628 1.00 14.23 N ATOM 914 CA MET A 174 25.602 -0.401 -10.276 1.00 72.23 C ATOM 915 C MET A 174 24.904 0.647 -11.137 1.00 1.43 C ATOM 916 O MET A 174 24.234 0.284 -12.102 1.00 40.33 O ATOM 917 CB MET A 174 27.118 -0.287 -10.442 1.00 64.01 C ATOM 918 CG MET A 174 27.873 -0.247 -9.123 1.00 74.30 C ATOM 919 SD MET A 174 29.647 -0.492 -9.330 1.00 1.51 S ATOM 920 CE MET A 174 29.839 -2.148 -8.676 1.00 43.02 C ATOM 0 H MET A 174 25.560 -2.113 -11.488 1.00 14.23 H new ATOM 0 HA MET A 174 25.343 -0.220 -9.233 1.00 72.23 H new ATOM 0 HB2 MET A 174 27.475 -1.132 -11.030 1.00 64.01 H new ATOM 0 HB3 MET A 174 27.346 0.615 -11.009 1.00 64.01 H new ATOM 0 HG2 MET A 174 27.697 0.713 -8.637 1.00 74.30 H new ATOM 0 HG3 MET A 174 27.479 -1.017 -8.460 1.00 74.30 H new ATOM 0 HE1 MET A 174 30.859 -2.491 -8.848 1.00 43.02 H new ATOM 0 HE2 MET A 174 29.634 -2.142 -7.605 1.00 43.02 H new ATOM 0 HE3 MET A 174 29.141 -2.820 -9.176 1.00 43.02 H new ATOM 930 N CYS A 175 25.073 1.910 -10.773 1.00 45.21 N ATOM 931 CA CYS A 175 24.455 2.993 -11.519 1.00 43.10 C ATOM 932 C CYS A 175 25.104 3.055 -12.903 1.00 63.32 C ATOM 933 O CYS A 175 25.998 2.278 -13.241 1.00 24.42 O ATOM 934 CB CYS A 175 24.566 4.327 -10.777 1.00 21.51 C ATOM 935 SG CYS A 175 22.957 5.197 -10.811 1.00 12.23 S ATOM 0 H CYS A 175 25.629 2.207 -9.971 1.00 45.21 H new ATOM 0 HA CYS A 175 23.388 2.800 -11.627 1.00 43.10 H new ATOM 0 HB2 CYS A 175 24.874 4.154 -9.746 1.00 21.51 H new ATOM 0 HB3 CYS A 175 25.334 4.947 -11.239 1.00 21.51 H new ATOM 0 HG CYS A 175 22.844 5.943 -9.752 1.00 12.23 H new ATOM 940 N LEU A 176 24.631 4.004 -13.703 1.00 62.33 N ATOM 941 CA LEU A 176 25.146 4.192 -15.055 1.00 65.21 C ATOM 942 C LEU A 176 26.637 4.515 -15.030 1.00 30.33 C ATOM 943 O LEU A 176 27.452 3.771 -15.574 1.00 72.34 O ATOM 944 CB LEU A 176 24.382 5.313 -15.762 1.00 62.50 C ATOM 945 CG LEU A 176 24.529 5.369 -17.283 1.00 1.50 C ATOM 946 CD1 LEU A 176 23.610 4.356 -17.946 1.00 73.04 C ATOM 947 CD2 LEU A 176 24.237 6.772 -17.795 1.00 1.52 C ATOM 0 H LEU A 176 23.892 4.655 -13.439 1.00 62.33 H new ATOM 0 HA LEU A 176 25.004 3.261 -15.604 1.00 65.21 H new ATOM 0 HB2 LEU A 176 23.323 5.211 -15.523 1.00 62.50 H new ATOM 0 HB3 LEU A 176 24.712 6.267 -15.350 1.00 62.50 H new ATOM 0 HG LEU A 176 25.558 5.117 -17.539 1.00 1.50 H new ATOM 0 HD11 LEU A 176 23.729 4.411 -19.028 1.00 73.04 H new ATOM 0 HD12 LEU A 176 23.866 3.353 -17.603 1.00 73.04 H new ATOM 0 HD13 LEU A 176 22.575 4.576 -17.683 1.00 73.04 H new ATOM 0 HD21 LEU A 176 24.346 6.794 -18.879 1.00 1.52 H new ATOM 0 HD22 LEU A 176 23.218 7.052 -17.527 1.00 1.52 H new ATOM 0 HD23 LEU A 176 24.937 7.476 -17.346 1.00 1.52 H new ATOM 959 N GLU A 177 26.985 5.628 -14.392 1.00 24.33 N ATOM 960 CA GLU A 177 28.379 6.047 -14.295 1.00 15.45 C ATOM 961 C GLU A 177 28.731 6.436 -12.861 1.00 61.45 C ATOM 962 O GLU A 177 29.294 7.503 -12.616 1.00 51.11 O ATOM 963 CB GLU A 177 28.646 7.225 -15.234 1.00 43.01 C ATOM 964 CG GLU A 177 28.895 6.810 -16.674 1.00 50.15 C ATOM 965 CD GLU A 177 29.033 7.997 -17.608 1.00 3.11 C ATOM 966 OE1 GLU A 177 30.113 8.625 -17.615 1.00 33.34 O ATOM 967 OE2 GLU A 177 28.061 8.298 -18.332 1.00 62.11 O ATOM 0 H GLU A 177 26.323 6.255 -13.935 1.00 24.33 H new ATOM 0 HA GLU A 177 29.007 5.206 -14.590 1.00 15.45 H new ATOM 0 HB2 GLU A 177 27.794 7.904 -15.202 1.00 43.01 H new ATOM 0 HB3 GLU A 177 29.510 7.780 -14.870 1.00 43.01 H new ATOM 0 HG2 GLU A 177 29.802 6.207 -16.723 1.00 50.15 H new ATOM 0 HG3 GLU A 177 28.074 6.179 -17.013 1.00 50.15 H new ATOM 974 N HIS A 178 28.395 5.561 -11.918 1.00 42.41 N ATOM 975 CA HIS A 178 28.676 5.812 -10.509 1.00 31.22 C ATOM 976 C HIS A 178 29.156 4.540 -9.816 1.00 44.12 C ATOM 977 O HIS A 178 28.386 3.866 -9.133 1.00 3.21 O ATOM 978 CB HIS A 178 27.429 6.349 -9.806 1.00 73.03 C ATOM 979 CG HIS A 178 26.951 7.659 -10.353 1.00 74.20 C ATOM 980 ND1 HIS A 178 25.630 7.909 -10.660 1.00 12.22 N ATOM 981 CD2 HIS A 178 27.625 8.795 -10.646 1.00 43.02 C ATOM 982 CE1 HIS A 178 25.513 9.142 -11.120 1.00 10.14 C ATOM 983 NE2 HIS A 178 26.710 9.701 -11.121 1.00 54.40 N ATOM 0 H HIS A 178 27.928 4.673 -12.104 1.00 42.41 H new ATOM 0 HA HIS A 178 29.468 6.559 -10.450 1.00 31.22 H new ATOM 0 HB2 HIS A 178 26.628 5.614 -9.893 1.00 73.03 H new ATOM 0 HB3 HIS A 178 27.642 6.464 -8.743 1.00 73.03 H new ATOM 0 HD2 HIS A 178 28.686 8.958 -10.528 1.00 43.02 H new ATOM 0 HE1 HIS A 178 24.595 9.613 -11.441 1.00 10.14 H new ATOM 0 HE2 HIS A 178 26.920 10.652 -11.425 1.00 54.40 H new ATOM 990 N GLU A 179 30.433 4.219 -9.999 1.00 24.31 N ATOM 991 CA GLU A 179 31.015 3.027 -9.392 1.00 73.24 C ATOM 992 C GLU A 179 31.339 3.268 -7.921 1.00 12.11 C ATOM 993 O GLU A 179 31.284 2.349 -7.103 1.00 42.15 O ATOM 994 CB GLU A 179 32.281 2.611 -10.143 1.00 44.55 C ATOM 995 CG GLU A 179 33.325 3.712 -10.233 1.00 13.52 C ATOM 996 CD GLU A 179 34.608 3.361 -9.506 1.00 20.53 C ATOM 997 OE1 GLU A 179 35.016 2.181 -9.560 1.00 53.32 O ATOM 998 OE2 GLU A 179 35.204 4.263 -8.882 1.00 41.43 O ATOM 0 H GLU A 179 31.084 4.767 -10.562 1.00 24.31 H new ATOM 0 HA GLU A 179 30.282 2.223 -9.457 1.00 73.24 H new ATOM 0 HB2 GLU A 179 32.720 1.745 -9.647 1.00 44.55 H new ATOM 0 HB3 GLU A 179 32.009 2.297 -11.151 1.00 44.55 H new ATOM 0 HG2 GLU A 179 33.549 3.911 -11.281 1.00 13.52 H new ATOM 0 HG3 GLU A 179 32.915 4.631 -9.815 1.00 13.52 H new ATOM 1005 N ASP A 180 31.677 4.510 -7.592 1.00 34.14 N ATOM 1006 CA ASP A 180 32.009 4.873 -6.219 1.00 43.41 C ATOM 1007 C ASP A 180 30.774 4.811 -5.326 1.00 24.43 C ATOM 1008 O ASP A 180 30.885 4.682 -4.107 1.00 12.30 O ATOM 1009 CB ASP A 180 32.616 6.276 -6.173 1.00 44.54 C ATOM 1010 CG ASP A 180 33.316 6.562 -4.859 1.00 64.12 C ATOM 1011 OD1 ASP A 180 33.791 5.601 -4.218 1.00 71.43 O ATOM 1012 OD2 ASP A 180 33.390 7.747 -4.472 1.00 64.41 O ATOM 0 H ASP A 180 31.728 5.282 -8.257 1.00 34.14 H new ATOM 0 HA ASP A 180 32.741 4.156 -5.847 1.00 43.41 H new ATOM 0 HB2 ASP A 180 33.327 6.388 -6.992 1.00 44.54 H new ATOM 0 HB3 ASP A 180 31.830 7.014 -6.330 1.00 44.54 H new ATOM 1017 N GLU A 181 29.600 4.903 -5.941 1.00 54.21 N ATOM 1018 CA GLU A 181 28.344 4.859 -5.200 1.00 64.24 C ATOM 1019 C GLU A 181 27.349 3.917 -5.872 1.00 41.33 C ATOM 1020 O GLU A 181 26.924 4.149 -7.004 1.00 52.52 O ATOM 1021 CB GLU A 181 27.742 6.261 -5.090 1.00 30.03 C ATOM 1022 CG GLU A 181 27.416 6.673 -3.664 1.00 23.32 C ATOM 1023 CD GLU A 181 25.950 6.489 -3.324 1.00 51.41 C ATOM 1024 OE1 GLU A 181 25.401 5.409 -3.626 1.00 11.24 O ATOM 1025 OE2 GLU A 181 25.351 7.427 -2.756 1.00 45.11 O ATOM 0 H GLU A 181 29.491 5.008 -6.950 1.00 54.21 H new ATOM 0 HA GLU A 181 28.555 4.483 -4.199 1.00 64.24 H new ATOM 0 HB2 GLU A 181 28.440 6.981 -5.517 1.00 30.03 H new ATOM 0 HB3 GLU A 181 26.832 6.305 -5.689 1.00 30.03 H new ATOM 0 HG2 GLU A 181 28.022 6.087 -2.973 1.00 23.32 H new ATOM 0 HG3 GLU A 181 27.690 7.718 -3.520 1.00 23.32 H new ATOM 1032 N LYS A 182 26.982 2.853 -5.167 1.00 71.20 N ATOM 1033 CA LYS A 182 26.037 1.875 -5.693 1.00 15.04 C ATOM 1034 C LYS A 182 24.599 2.337 -5.477 1.00 1.35 C ATOM 1035 O LYS A 182 24.355 3.363 -4.841 1.00 42.33 O ATOM 1036 CB LYS A 182 26.252 0.516 -5.024 1.00 23.34 C ATOM 1037 CG LYS A 182 26.555 -0.604 -6.005 1.00 13.15 C ATOM 1038 CD LYS A 182 26.536 -1.962 -5.324 1.00 22.15 C ATOM 1039 CE LYS A 182 26.043 -3.051 -6.264 1.00 43.35 C ATOM 1040 NZ LYS A 182 27.158 -3.912 -6.748 1.00 34.43 N ATOM 0 H LYS A 182 27.325 2.646 -4.229 1.00 71.20 H new ATOM 0 HA LYS A 182 26.212 1.778 -6.764 1.00 15.04 H new ATOM 0 HB2 LYS A 182 27.074 0.597 -4.313 1.00 23.34 H new ATOM 0 HB3 LYS A 182 25.360 0.256 -4.453 1.00 23.34 H new ATOM 0 HG2 LYS A 182 25.822 -0.590 -6.812 1.00 13.15 H new ATOM 0 HG3 LYS A 182 27.532 -0.437 -6.459 1.00 13.15 H new ATOM 0 HD2 LYS A 182 27.538 -2.209 -4.974 1.00 22.15 H new ATOM 0 HD3 LYS A 182 25.893 -1.920 -4.445 1.00 22.15 H new ATOM 0 HE2 LYS A 182 25.305 -3.667 -5.751 1.00 43.35 H new ATOM 0 HE3 LYS A 182 25.540 -2.595 -7.117 1.00 43.35 H new ATOM 0 HZ1 LYS A 182 26.781 -4.642 -7.386 1.00 34.43 H new ATOM 0 HZ2 LYS A 182 27.850 -3.328 -7.260 1.00 34.43 H new ATOM 0 HZ3 LYS A 182 27.622 -4.368 -5.937 1.00 34.43 H new ATOM 1054 N VAL A 183 23.650 1.573 -6.008 1.00 21.02 N ATOM 1055 CA VAL A 183 22.237 1.903 -5.871 1.00 14.04 C ATOM 1056 C VAL A 183 21.705 1.486 -4.504 1.00 71.31 C ATOM 1057 O VAL A 183 21.697 0.303 -4.165 1.00 14.31 O ATOM 1058 CB VAL A 183 21.393 1.225 -6.967 1.00 20.15 C ATOM 1059 CG1 VAL A 183 21.685 1.844 -8.325 1.00 21.30 C ATOM 1060 CG2 VAL A 183 21.653 -0.274 -6.987 1.00 53.22 C ATOM 0 H VAL A 183 23.834 0.721 -6.537 1.00 21.02 H new ATOM 0 HA VAL A 183 22.153 2.985 -5.976 1.00 14.04 H new ATOM 0 HB VAL A 183 20.339 1.385 -6.742 1.00 20.15 H new ATOM 0 HG11 VAL A 183 21.080 1.352 -9.087 1.00 21.30 H new ATOM 0 HG12 VAL A 183 21.444 2.907 -8.300 1.00 21.30 H new ATOM 0 HG13 VAL A 183 22.741 1.717 -8.563 1.00 21.30 H new ATOM 0 HG21 VAL A 183 21.049 -0.738 -7.767 1.00 53.22 H new ATOM 0 HG22 VAL A 183 22.708 -0.458 -7.188 1.00 53.22 H new ATOM 0 HG23 VAL A 183 21.388 -0.702 -6.020 1.00 53.22 H new ATOM 1070 N ASN A 184 21.261 2.466 -3.724 1.00 20.55 N ATOM 1071 CA ASN A 184 20.727 2.200 -2.393 1.00 10.14 C ATOM 1072 C ASN A 184 19.493 3.055 -2.121 1.00 72.02 C ATOM 1073 O ASN A 184 19.120 3.276 -0.970 1.00 11.44 O ATOM 1074 CB ASN A 184 21.793 2.471 -1.329 1.00 40.32 C ATOM 1075 CG ASN A 184 22.052 3.953 -1.135 1.00 62.11 C ATOM 1076 OD1 ASN A 184 22.359 4.671 -2.087 1.00 74.32 O ATOM 1077 ND2 ASN A 184 21.930 4.417 0.103 1.00 42.51 N ATOM 0 H ASN A 184 21.260 3.451 -3.990 1.00 20.55 H new ATOM 0 HA ASN A 184 20.437 1.150 -2.349 1.00 10.14 H new ATOM 0 HB2 ASN A 184 21.477 2.033 -0.382 1.00 40.32 H new ATOM 0 HB3 ASN A 184 22.722 1.977 -1.615 1.00 40.32 H new ATOM 0 HD21 ASN A 184 22.093 5.405 0.296 1.00 42.51 H new ATOM 0 HD22 ASN A 184 21.674 3.785 0.862 1.00 42.51 H new ATOM 1084 N MET A 185 18.863 3.532 -3.190 1.00 64.22 N ATOM 1085 CA MET A 185 17.670 4.361 -3.067 1.00 70.12 C ATOM 1086 C MET A 185 16.598 3.921 -4.059 1.00 72.00 C ATOM 1087 O MET A 185 16.834 3.052 -4.898 1.00 63.24 O ATOM 1088 CB MET A 185 18.020 5.833 -3.296 1.00 34.33 C ATOM 1089 CG MET A 185 18.744 6.474 -2.124 1.00 3.24 C ATOM 1090 SD MET A 185 17.864 7.901 -1.459 1.00 71.51 S ATOM 1091 CE MET A 185 19.027 8.470 -0.222 1.00 31.14 C ATOM 0 H MET A 185 19.159 3.359 -4.151 1.00 64.22 H new ATOM 0 HA MET A 185 17.277 4.241 -2.057 1.00 70.12 H new ATOM 0 HB2 MET A 185 18.643 5.916 -4.187 1.00 34.33 H new ATOM 0 HB3 MET A 185 17.104 6.389 -3.495 1.00 34.33 H new ATOM 0 HG2 MET A 185 18.876 5.734 -1.335 1.00 3.24 H new ATOM 0 HG3 MET A 185 19.740 6.782 -2.442 1.00 3.24 H new ATOM 0 HE1 MET A 185 18.624 9.351 0.278 1.00 31.14 H new ATOM 0 HE2 MET A 185 19.194 7.681 0.511 1.00 31.14 H new ATOM 0 HE3 MET A 185 19.972 8.726 -0.701 1.00 31.14 H new ATOM 1101 N TYR A 186 15.420 4.526 -3.957 1.00 33.14 N ATOM 1102 CA TYR A 186 14.311 4.194 -4.843 1.00 54.20 C ATOM 1103 C TYR A 186 13.411 5.406 -5.066 1.00 74.34 C ATOM 1104 O TYR A 186 13.103 6.114 -4.109 1.00 22.22 O ATOM 1105 CB TYR A 186 13.494 3.038 -4.262 1.00 40.52 C ATOM 1106 CG TYR A 186 12.379 2.569 -5.169 1.00 40.01 C ATOM 1107 CD1 TYR A 186 11.132 3.181 -5.143 1.00 51.32 C ATOM 1108 CD2 TYR A 186 12.572 1.513 -6.051 1.00 70.00 C ATOM 1109 CE1 TYR A 186 10.110 2.755 -5.969 1.00 52.55 C ATOM 1110 CE2 TYR A 186 11.556 1.081 -6.882 1.00 2.51 C ATOM 1111 CZ TYR A 186 10.327 1.706 -6.837 1.00 60.33 C ATOM 1112 OH TYR A 186 9.312 1.278 -7.662 1.00 62.23 O ATOM 0 H TYR A 186 15.208 5.249 -3.269 1.00 33.14 H new ATOM 0 HA TYR A 186 14.726 3.890 -5.804 1.00 54.20 H new ATOM 0 HB2 TYR A 186 14.160 2.200 -4.056 1.00 40.52 H new ATOM 0 HB3 TYR A 186 13.069 3.348 -3.308 1.00 40.52 H new ATOM 0 HD1 TYR A 186 10.959 4.004 -4.465 1.00 51.32 H new ATOM 0 HD2 TYR A 186 13.533 1.021 -6.088 1.00 70.00 H new ATOM 0 HE1 TYR A 186 9.146 3.241 -5.935 1.00 52.55 H new ATOM 0 HE2 TYR A 186 11.723 0.259 -7.562 1.00 2.51 H new ATOM 0 HH TYR A 186 9.691 0.773 -8.411 1.00 62.23 H new ATOM 1122 N CYS A 187 13.012 5.614 -6.313 1.00 10.44 N ATOM 1123 CA CYS A 187 12.152 6.737 -6.645 1.00 52.20 C ATOM 1124 C CYS A 187 10.737 6.205 -6.881 1.00 51.00 C ATOM 1125 O CYS A 187 10.520 5.208 -7.570 1.00 45.24 O ATOM 1126 CB CYS A 187 12.678 7.515 -7.853 1.00 70.32 C ATOM 1127 SG CYS A 187 11.524 8.871 -8.276 1.00 21.33 S ATOM 0 H CYS A 187 13.268 5.024 -7.105 1.00 10.44 H new ATOM 0 HA CYS A 187 12.139 7.446 -5.817 1.00 52.20 H new ATOM 0 HB2 CYS A 187 13.665 7.922 -7.632 1.00 70.32 H new ATOM 0 HB3 CYS A 187 12.793 6.845 -8.705 1.00 70.32 H new ATOM 0 HG CYS A 187 12.201 9.922 -8.633 1.00 21.33 H new ATOM 1132 N VAL A 188 9.770 6.898 -6.288 1.00 52.12 N ATOM 1133 CA VAL A 188 8.368 6.519 -6.418 1.00 11.04 C ATOM 1134 C VAL A 188 7.765 7.074 -7.703 1.00 62.34 C ATOM 1135 O VAL A 188 7.068 6.366 -8.432 1.00 4.30 O ATOM 1136 CB VAL A 188 7.539 7.017 -5.219 1.00 31.43 C ATOM 1137 CG1 VAL A 188 6.082 6.605 -5.369 1.00 3.31 C ATOM 1138 CG2 VAL A 188 8.119 6.489 -3.915 1.00 13.00 C ATOM 0 H VAL A 188 9.932 7.725 -5.713 1.00 52.12 H new ATOM 0 HA VAL A 188 8.336 5.430 -6.446 1.00 11.04 H new ATOM 0 HB VAL A 188 7.583 8.106 -5.196 1.00 31.43 H new ATOM 0 HG11 VAL A 188 5.512 6.966 -4.513 1.00 3.31 H new ATOM 0 HG12 VAL A 188 5.674 7.036 -6.284 1.00 3.31 H new ATOM 0 HG13 VAL A 188 6.014 5.518 -5.418 1.00 3.31 H new ATOM 0 HG21 VAL A 188 7.521 6.850 -3.078 1.00 13.00 H new ATOM 0 HG22 VAL A 188 8.106 5.399 -3.926 1.00 13.00 H new ATOM 0 HG23 VAL A 188 9.146 6.839 -3.805 1.00 13.00 H new ATOM 1148 N THR A 189 8.038 8.346 -7.978 1.00 60.40 N ATOM 1149 CA THR A 189 7.523 8.997 -9.176 1.00 35.53 C ATOM 1150 C THR A 189 7.928 8.236 -10.433 1.00 25.11 C ATOM 1151 O THR A 189 7.267 8.329 -11.467 1.00 33.41 O ATOM 1152 CB THR A 189 8.022 10.449 -9.285 1.00 2.53 C ATOM 1153 OG1 THR A 189 7.791 11.141 -8.052 1.00 71.13 O ATOM 1154 CG2 THR A 189 7.321 11.179 -10.421 1.00 1.13 C ATOM 0 H THR A 189 8.613 8.946 -7.387 1.00 60.40 H new ATOM 0 HA THR A 189 6.436 9.000 -9.091 1.00 35.53 H new ATOM 0 HB THR A 189 9.092 10.427 -9.494 1.00 2.53 H new ATOM 0 HG1 THR A 189 8.113 12.063 -8.129 1.00 71.13 H new ATOM 0 HG21 THR A 189 7.690 12.203 -10.478 1.00 1.13 H new ATOM 0 HG22 THR A 189 7.523 10.667 -11.362 1.00 1.13 H new ATOM 0 HG23 THR A 189 6.247 11.190 -10.238 1.00 1.13 H new ATOM 1162 N ASP A 190 9.019 7.484 -10.337 1.00 62.31 N ATOM 1163 CA ASP A 190 9.512 6.705 -11.467 1.00 65.11 C ATOM 1164 C ASP A 190 9.343 5.210 -11.212 1.00 54.45 C ATOM 1165 O ASP A 190 9.349 4.407 -12.145 1.00 61.03 O ATOM 1166 CB ASP A 190 10.984 7.026 -11.731 1.00 64.33 C ATOM 1167 CG ASP A 190 11.196 8.465 -12.158 1.00 14.12 C ATOM 1168 OD1 ASP A 190 10.223 9.095 -12.622 1.00 75.33 O ATOM 1169 OD2 ASP A 190 12.334 8.962 -12.028 1.00 23.20 O ATOM 0 H ASP A 190 9.579 7.397 -9.489 1.00 62.31 H new ATOM 0 HA ASP A 190 8.926 6.974 -12.346 1.00 65.11 H new ATOM 0 HB2 ASP A 190 11.563 6.829 -10.829 1.00 64.33 H new ATOM 0 HB3 ASP A 190 11.365 6.360 -12.506 1.00 64.33 H new ATOM 1174 N ASP A 191 9.192 4.845 -9.944 1.00 51.02 N ATOM 1175 CA ASP A 191 9.020 3.447 -9.567 1.00 23.15 C ATOM 1176 C ASP A 191 10.260 2.632 -9.923 1.00 33.14 C ATOM 1177 O ASP A 191 10.169 1.435 -10.195 1.00 2.21 O ATOM 1178 CB ASP A 191 7.790 2.857 -10.258 1.00 65.23 C ATOM 1179 CG ASP A 191 6.854 2.167 -9.286 1.00 3.15 C ATOM 1180 OD1 ASP A 191 6.331 2.850 -8.380 1.00 32.10 O ATOM 1181 OD2 ASP A 191 6.644 0.945 -9.430 1.00 62.13 O ATOM 0 H ASP A 191 9.185 5.497 -9.160 1.00 51.02 H new ATOM 0 HA ASP A 191 8.876 3.403 -8.488 1.00 23.15 H new ATOM 0 HB2 ASP A 191 7.251 3.651 -10.774 1.00 65.23 H new ATOM 0 HB3 ASP A 191 8.111 2.144 -11.017 1.00 65.23 H new ATOM 1186 N GLN A 192 11.415 3.289 -9.919 1.00 70.00 N ATOM 1187 CA GLN A 192 12.672 2.625 -10.244 1.00 31.14 C ATOM 1188 C GLN A 192 13.682 2.788 -9.112 1.00 74.02 C ATOM 1189 O GLN A 192 13.410 3.459 -8.116 1.00 4.33 O ATOM 1190 CB GLN A 192 13.249 3.187 -11.544 1.00 4.45 C ATOM 1191 CG GLN A 192 12.930 2.343 -12.767 1.00 24.24 C ATOM 1192 CD GLN A 192 14.073 2.302 -13.762 1.00 22.12 C ATOM 1193 OE1 GLN A 192 14.109 3.079 -14.716 1.00 11.40 O ATOM 1194 NE2 GLN A 192 15.016 1.392 -13.544 1.00 52.32 N ATOM 0 H GLN A 192 11.507 4.280 -9.695 1.00 70.00 H new ATOM 0 HA GLN A 192 12.469 1.562 -10.375 1.00 31.14 H new ATOM 0 HB2 GLN A 192 12.862 4.195 -11.697 1.00 4.45 H new ATOM 0 HB3 GLN A 192 14.331 3.273 -11.444 1.00 4.45 H new ATOM 0 HG2 GLN A 192 12.692 1.327 -12.451 1.00 24.24 H new ATOM 0 HG3 GLN A 192 12.041 2.741 -13.257 1.00 24.24 H new ATOM 0 HE21 GLN A 192 14.946 0.768 -12.740 1.00 52.32 H new ATOM 0 HE22 GLN A 192 15.810 1.318 -14.180 1.00 52.32 H new ATOM 1203 N LEU A 193 14.847 2.170 -9.272 1.00 74.12 N ATOM 1204 CA LEU A 193 15.898 2.246 -8.264 1.00 11.13 C ATOM 1205 C LEU A 193 16.964 3.260 -8.664 1.00 43.53 C ATOM 1206 O LEU A 193 17.248 3.442 -9.849 1.00 11.43 O ATOM 1207 CB LEU A 193 16.537 0.871 -8.060 1.00 13.24 C ATOM 1208 CG LEU A 193 15.810 -0.071 -7.099 1.00 53.32 C ATOM 1209 CD1 LEU A 193 16.268 -1.505 -7.310 1.00 33.51 C ATOM 1210 CD2 LEU A 193 16.038 0.358 -5.657 1.00 24.30 C ATOM 0 H LEU A 193 15.087 1.611 -10.090 1.00 74.12 H new ATOM 0 HA LEU A 193 15.446 2.572 -7.327 1.00 11.13 H new ATOM 0 HB2 LEU A 193 16.613 0.380 -9.030 1.00 13.24 H new ATOM 0 HB3 LEU A 193 17.554 1.016 -7.696 1.00 13.24 H new ATOM 0 HG LEU A 193 14.741 -0.018 -7.307 1.00 53.32 H new ATOM 0 HD11 LEU A 193 15.740 -2.161 -6.618 1.00 33.51 H new ATOM 0 HD12 LEU A 193 16.052 -1.809 -8.334 1.00 33.51 H new ATOM 0 HD13 LEU A 193 17.341 -1.575 -7.130 1.00 33.51 H new ATOM 0 HD21 LEU A 193 15.513 -0.324 -4.987 1.00 24.30 H new ATOM 0 HD22 LEU A 193 17.105 0.335 -5.435 1.00 24.30 H new ATOM 0 HD23 LEU A 193 15.659 1.370 -5.514 1.00 24.30 H new ATOM 1222 N ILE A 194 17.553 3.916 -7.670 1.00 12.41 N ATOM 1223 CA ILE A 194 18.590 4.910 -7.919 1.00 22.41 C ATOM 1224 C ILE A 194 19.613 4.931 -6.788 1.00 41.33 C ATOM 1225 O ILE A 194 19.413 4.253 -5.782 1.00 23.21 O ATOM 1226 CB ILE A 194 17.992 6.319 -8.082 1.00 42.43 C ATOM 1227 CG1 ILE A 194 17.420 6.812 -6.752 1.00 34.44 C ATOM 1228 CG2 ILE A 194 16.918 6.317 -9.159 1.00 54.43 C ATOM 1229 CD1 ILE A 194 16.808 8.193 -6.831 1.00 22.12 C ATOM 0 H ILE A 194 17.330 3.777 -6.684 1.00 12.41 H new ATOM 0 HA ILE A 194 19.084 4.625 -8.848 1.00 22.41 H new ATOM 0 HB ILE A 194 18.785 7.001 -8.389 1.00 42.43 H new ATOM 0 HG12 ILE A 194 16.663 6.107 -6.408 1.00 34.44 H new ATOM 0 HG13 ILE A 194 18.213 6.817 -6.005 1.00 34.44 H new ATOM 0 HG21 ILE A 194 16.505 7.320 -9.263 1.00 54.43 H new ATOM 0 HG22 ILE A 194 17.355 6.005 -10.108 1.00 54.43 H new ATOM 0 HG23 ILE A 194 16.124 5.625 -8.880 1.00 54.43 H new ATOM 0 HD11 ILE A 194 16.423 8.477 -5.852 1.00 22.12 H new ATOM 0 HD12 ILE A 194 17.567 8.910 -7.144 1.00 22.12 H new ATOM 0 HD13 ILE A 194 15.992 8.189 -7.554 1.00 22.12 H new ATOM 1241 N CYS A 195 20.674 5.703 -6.975 1.00 20.23 N ATOM 1242 CA CYS A 195 21.713 5.803 -5.964 1.00 41.41 C ATOM 1243 C CYS A 195 21.594 7.170 -5.287 1.00 45.44 C ATOM 1244 O CYS A 195 21.121 8.147 -5.868 1.00 32.32 O ATOM 1245 CB CYS A 195 23.105 5.580 -6.559 1.00 52.24 C ATOM 1246 SG CYS A 195 23.613 7.047 -7.529 1.00 25.33 S ATOM 0 H CYS A 195 20.836 6.265 -7.811 1.00 20.23 H new ATOM 0 HA CYS A 195 21.578 5.017 -5.221 1.00 41.41 H new ATOM 0 HB2 CYS A 195 23.825 5.394 -5.762 1.00 52.24 H new ATOM 0 HB3 CYS A 195 23.100 4.696 -7.197 1.00 52.24 H new ATOM 0 HG CYS A 195 22.665 7.369 -8.358 1.00 25.33 H new ATOM 1251 N ALA A 196 22.039 7.218 -4.036 1.00 2.21 N ATOM 1252 CA ALA A 196 21.997 8.449 -3.257 1.00 12.24 C ATOM 1253 C ALA A 196 22.727 9.579 -3.975 1.00 21.04 C ATOM 1254 O ALA A 196 22.396 10.753 -3.804 1.00 4.11 O ATOM 1255 CB ALA A 196 22.598 8.222 -1.878 1.00 23.24 C ATOM 0 H ALA A 196 22.433 6.418 -3.540 1.00 2.21 H new ATOM 0 HA ALA A 196 20.953 8.741 -3.143 1.00 12.24 H new ATOM 0 HB1 ALA A 196 22.560 9.150 -1.307 1.00 23.24 H new ATOM 0 HB2 ALA A 196 22.031 7.451 -1.356 1.00 23.24 H new ATOM 0 HB3 ALA A 196 23.635 7.902 -1.981 1.00 23.24 H new ATOM 1261 N LEU A 197 23.722 9.218 -4.778 1.00 32.34 N ATOM 1262 CA LEU A 197 24.500 10.202 -5.522 1.00 22.22 C ATOM 1263 C LEU A 197 23.660 10.841 -6.623 1.00 10.13 C ATOM 1264 O LEU A 197 24.000 11.929 -7.084 1.00 53.52 O ATOM 1265 CB LEU A 197 25.742 9.546 -6.128 1.00 41.01 C ATOM 1266 CG LEU A 197 26.929 10.473 -6.392 1.00 63.23 C ATOM 1267 CD1 LEU A 197 27.864 10.498 -5.193 1.00 62.31 C ATOM 1268 CD2 LEU A 197 27.677 10.038 -7.645 1.00 14.53 C ATOM 0 H LEU A 197 24.009 8.251 -4.930 1.00 32.34 H new ATOM 0 HA LEU A 197 24.811 10.983 -4.828 1.00 22.22 H new ATOM 0 HB2 LEU A 197 26.070 8.749 -5.460 1.00 41.01 H new ATOM 0 HB3 LEU A 197 25.457 9.076 -7.069 1.00 41.01 H new ATOM 0 HG LEU A 197 26.549 11.482 -6.551 1.00 63.23 H new ATOM 0 HD11 LEU A 197 28.703 11.163 -5.399 1.00 62.31 H new ATOM 0 HD12 LEU A 197 27.323 10.857 -4.317 1.00 62.31 H new ATOM 0 HD13 LEU A 197 28.237 9.492 -5.002 1.00 62.31 H new ATOM 0 HD21 LEU A 197 28.519 10.709 -7.818 1.00 14.53 H new ATOM 0 HD22 LEU A 197 28.045 9.020 -7.514 1.00 14.53 H new ATOM 0 HD23 LEU A 197 27.004 10.073 -8.501 1.00 14.53 H new ATOM 1280 N CYS A 198 22.593 10.160 -7.014 1.00 14.44 N ATOM 1281 CA CYS A 198 21.717 10.673 -8.054 1.00 4.42 C ATOM 1282 C CYS A 198 20.780 11.707 -7.426 1.00 42.34 C ATOM 1283 O CYS A 198 20.465 12.744 -8.011 1.00 73.34 O ATOM 1284 CB CYS A 198 20.945 9.550 -8.748 1.00 70.12 C ATOM 1285 SG CYS A 198 21.962 8.824 -10.085 1.00 43.52 S ATOM 0 H CYS A 198 22.315 9.257 -6.629 1.00 14.44 H new ATOM 0 HA CYS A 198 22.313 11.150 -8.832 1.00 4.42 H new ATOM 0 HB2 CYS A 198 20.678 8.780 -8.024 1.00 70.12 H new ATOM 0 HB3 CYS A 198 20.013 9.938 -9.159 1.00 70.12 H new ATOM 0 HG CYS A 198 23.174 8.633 -9.654 1.00 43.52 H new ATOM 1290 N LYS A 199 20.338 11.400 -6.212 1.00 2.44 N ATOM 1291 CA LYS A 199 19.438 12.283 -5.479 1.00 3.03 C ATOM 1292 C LYS A 199 20.179 13.516 -4.971 1.00 25.43 C ATOM 1293 O LYS A 199 19.578 14.568 -4.752 1.00 31.14 O ATOM 1294 CB LYS A 199 18.803 11.536 -4.303 1.00 44.25 C ATOM 1295 CG LYS A 199 17.465 12.109 -3.871 1.00 11.15 C ATOM 1296 CD LYS A 199 17.216 11.886 -2.388 1.00 42.12 C ATOM 1297 CE LYS A 199 18.049 12.831 -1.535 1.00 71.50 C ATOM 1298 NZ LYS A 199 17.201 13.654 -0.630 1.00 15.12 N ATOM 0 H LYS A 199 20.588 10.546 -5.714 1.00 2.44 H new ATOM 0 HA LYS A 199 18.653 12.608 -6.162 1.00 3.03 H new ATOM 0 HB2 LYS A 199 18.669 10.490 -4.578 1.00 44.25 H new ATOM 0 HB3 LYS A 199 19.489 11.558 -3.456 1.00 44.25 H new ATOM 0 HG2 LYS A 199 17.438 13.177 -4.089 1.00 11.15 H new ATOM 0 HG3 LYS A 199 16.666 11.645 -4.449 1.00 11.15 H new ATOM 0 HD2 LYS A 199 16.158 12.033 -2.169 1.00 42.12 H new ATOM 0 HD3 LYS A 199 17.454 10.854 -2.129 1.00 42.12 H new ATOM 0 HE2 LYS A 199 18.759 12.255 -0.942 1.00 71.50 H new ATOM 0 HE3 LYS A 199 18.632 13.486 -2.182 1.00 71.50 H new ATOM 0 HZ1 LYS A 199 17.806 14.285 -0.066 1.00 15.12 H new ATOM 0 HZ2 LYS A 199 16.540 14.223 -1.196 1.00 15.12 H new ATOM 0 HZ3 LYS A 199 16.664 13.030 0.005 1.00 15.12 H new ATOM 1312 N LEU A 200 21.488 13.379 -4.787 1.00 10.34 N ATOM 1313 CA LEU A 200 22.312 14.483 -4.306 1.00 21.12 C ATOM 1314 C LEU A 200 22.587 15.484 -5.423 1.00 41.12 C ATOM 1315 O LEU A 200 22.357 16.683 -5.267 1.00 2.40 O ATOM 1316 CB LEU A 200 23.632 13.952 -3.744 1.00 44.44 C ATOM 1317 CG LEU A 200 24.300 14.814 -2.672 1.00 32.45 C ATOM 1318 CD1 LEU A 200 24.670 13.968 -1.463 1.00 2.42 C ATOM 1319 CD2 LEU A 200 25.530 15.509 -3.235 1.00 41.53 C ATOM 0 H LEU A 200 22.001 12.515 -4.963 1.00 10.34 H new ATOM 0 HA LEU A 200 21.766 14.994 -3.513 1.00 21.12 H new ATOM 0 HB2 LEU A 200 23.453 12.961 -3.326 1.00 44.44 H new ATOM 0 HB3 LEU A 200 24.332 13.828 -4.570 1.00 44.44 H new ATOM 0 HG LEU A 200 23.591 15.578 -2.353 1.00 32.45 H new ATOM 0 HD11 LEU A 200 25.144 14.597 -0.710 1.00 2.42 H new ATOM 0 HD12 LEU A 200 23.770 13.518 -1.045 1.00 2.42 H new ATOM 0 HD13 LEU A 200 25.361 13.182 -1.767 1.00 2.42 H new ATOM 0 HD21 LEU A 200 25.992 16.118 -2.458 1.00 41.53 H new ATOM 0 HD22 LEU A 200 26.243 14.762 -3.582 1.00 41.53 H new ATOM 0 HD23 LEU A 200 25.238 16.147 -4.069 1.00 41.53 H new ATOM 1331 N VAL A 201 23.079 14.983 -6.552 1.00 52.10 N ATOM 1332 CA VAL A 201 23.382 15.833 -7.697 1.00 61.13 C ATOM 1333 C VAL A 201 22.178 16.685 -8.084 1.00 21.43 C ATOM 1334 O VAL A 201 22.319 17.857 -8.427 1.00 51.55 O ATOM 1335 CB VAL A 201 23.819 14.998 -8.916 1.00 35.12 C ATOM 1336 CG1 VAL A 201 24.073 15.897 -10.116 1.00 21.00 C ATOM 1337 CG2 VAL A 201 25.055 14.176 -8.583 1.00 12.31 C ATOM 0 H VAL A 201 23.276 13.993 -6.698 1.00 52.10 H new ATOM 0 HA VAL A 201 24.203 16.484 -7.398 1.00 61.13 H new ATOM 0 HB VAL A 201 23.012 14.311 -9.172 1.00 35.12 H new ATOM 0 HG11 VAL A 201 24.381 15.289 -10.967 1.00 21.00 H new ATOM 0 HG12 VAL A 201 23.159 16.436 -10.366 1.00 21.00 H new ATOM 0 HG13 VAL A 201 24.861 16.610 -9.876 1.00 21.00 H new ATOM 0 HG21 VAL A 201 25.350 13.592 -9.455 1.00 12.31 H new ATOM 0 HG22 VAL A 201 25.870 14.842 -8.300 1.00 12.31 H new ATOM 0 HG23 VAL A 201 24.832 13.503 -7.755 1.00 12.31 H new ATOM 1347 N GLY A 202 20.992 16.086 -8.024 1.00 65.41 N ATOM 1348 CA GLY A 202 19.780 16.804 -8.370 1.00 41.32 C ATOM 1349 C GLY A 202 18.855 15.989 -9.252 1.00 14.34 C ATOM 1350 O GLY A 202 17.705 16.369 -9.474 1.00 71.22 O ATOM 0 H GLY A 202 20.850 15.116 -7.742 1.00 65.41 H new ATOM 0 HA2 GLY A 202 19.254 17.083 -7.457 1.00 41.32 H new ATOM 0 HA3 GLY A 202 20.043 17.729 -8.882 1.00 41.32 H new ATOM 1354 N ARG A 203 19.357 14.867 -9.756 1.00 72.11 N ATOM 1355 CA ARG A 203 18.568 13.998 -10.621 1.00 32.13 C ATOM 1356 C ARG A 203 17.229 13.657 -9.973 1.00 52.21 C ATOM 1357 O ARG A 203 16.202 13.581 -10.649 1.00 11.23 O ATOM 1358 CB ARG A 203 19.339 12.713 -10.929 1.00 10.12 C ATOM 1359 CG ARG A 203 18.906 12.038 -12.220 1.00 30.53 C ATOM 1360 CD ARG A 203 19.612 10.705 -12.415 1.00 43.12 C ATOM 1361 NE ARG A 203 19.987 10.484 -13.809 1.00 63.22 N ATOM 1362 CZ ARG A 203 21.068 11.013 -14.372 1.00 73.25 C ATOM 1363 NH1 ARG A 203 21.876 11.790 -13.664 1.00 72.42 N ATOM 1364 NH2 ARG A 203 21.342 10.765 -15.647 1.00 20.22 N ATOM 0 H ARG A 203 20.306 14.538 -9.580 1.00 72.11 H new ATOM 0 HA ARG A 203 18.377 14.531 -11.552 1.00 32.13 H new ATOM 0 HB2 ARG A 203 20.403 12.943 -10.988 1.00 10.12 H new ATOM 0 HB3 ARG A 203 19.209 12.014 -10.102 1.00 10.12 H new ATOM 0 HG2 ARG A 203 17.827 11.881 -12.206 1.00 30.53 H new ATOM 0 HG3 ARG A 203 19.122 12.692 -13.064 1.00 30.53 H new ATOM 0 HD2 ARG A 203 20.504 10.672 -11.790 1.00 43.12 H new ATOM 0 HD3 ARG A 203 18.960 9.897 -12.082 1.00 43.12 H new ATOM 0 HE ARG A 203 19.386 9.891 -14.382 1.00 63.22 H new ATOM 0 HH11 ARG A 203 21.669 11.983 -12.684 1.00 72.42 H new ATOM 0 HH12 ARG A 203 22.705 12.195 -14.099 1.00 72.42 H new ATOM 0 HH21 ARG A 203 20.723 10.168 -16.195 1.00 20.22 H new ATOM 0 HH22 ARG A 203 22.172 11.171 -16.079 1.00 20.22 H new ATOM 1378 N HIS A 204 17.247 13.452 -8.660 1.00 5.31 N ATOM 1379 CA HIS A 204 16.035 13.120 -7.921 1.00 31.43 C ATOM 1380 C HIS A 204 15.963 13.904 -6.614 1.00 33.10 C ATOM 1381 O HIS A 204 15.512 13.386 -5.592 1.00 61.01 O ATOM 1382 CB HIS A 204 15.984 11.619 -7.632 1.00 11.12 C ATOM 1383 CG HIS A 204 16.015 10.770 -8.865 1.00 40.34 C ATOM 1384 ND1 HIS A 204 14.876 10.298 -9.483 1.00 42.00 N ATOM 1385 CD2 HIS A 204 17.056 10.311 -9.598 1.00 25.53 C ATOM 1386 CE1 HIS A 204 15.216 9.583 -10.541 1.00 12.03 C ATOM 1387 NE2 HIS A 204 16.533 9.575 -10.633 1.00 4.41 N ATOM 0 H HIS A 204 18.088 13.510 -8.086 1.00 5.31 H new ATOM 0 HA HIS A 204 15.178 13.394 -8.536 1.00 31.43 H new ATOM 0 HB2 HIS A 204 16.827 11.351 -6.995 1.00 11.12 H new ATOM 0 HB3 HIS A 204 15.077 11.396 -7.070 1.00 11.12 H new ATOM 0 HD1 HIS A 204 13.921 10.473 -9.172 1.00 42.00 H new ATOM 0 HD2 HIS A 204 18.103 10.490 -9.405 1.00 25.53 H new ATOM 0 HE1 HIS A 204 14.533 9.089 -11.216 1.00 12.03 H new ATOM 1394 N ARG A 205 16.410 15.155 -6.655 1.00 22.33 N ATOM 1395 CA ARG A 205 16.398 16.009 -5.474 1.00 1.34 C ATOM 1396 C ARG A 205 14.968 16.351 -5.064 1.00 63.23 C ATOM 1397 O ARG A 205 14.560 16.101 -3.930 1.00 62.20 O ATOM 1398 CB ARG A 205 17.185 17.294 -5.740 1.00 15.25 C ATOM 1399 CG ARG A 205 18.506 17.365 -4.993 1.00 24.25 C ATOM 1400 CD ARG A 205 19.049 18.785 -4.954 1.00 65.33 C ATOM 1401 NE ARG A 205 19.492 19.166 -3.616 1.00 32.33 N ATOM 1402 CZ ARG A 205 18.667 19.571 -2.657 1.00 32.14 C ATOM 1403 NH1 ARG A 205 17.363 19.647 -2.887 1.00 64.22 N ATOM 1404 NH2 ARG A 205 19.145 19.901 -1.464 1.00 23.53 N ATOM 0 H ARG A 205 16.785 15.599 -7.493 1.00 22.33 H new ATOM 0 HA ARG A 205 16.871 15.464 -4.657 1.00 1.34 H new ATOM 0 HB2 ARG A 205 17.377 17.377 -6.810 1.00 15.25 H new ATOM 0 HB3 ARG A 205 16.572 18.150 -5.459 1.00 15.25 H new ATOM 0 HG2 ARG A 205 18.370 16.998 -3.976 1.00 24.25 H new ATOM 0 HG3 ARG A 205 19.232 16.710 -5.473 1.00 24.25 H new ATOM 0 HD2 ARG A 205 19.883 18.873 -5.650 1.00 65.33 H new ATOM 0 HD3 ARG A 205 18.277 19.477 -5.291 1.00 65.33 H new ATOM 0 HE ARG A 205 20.489 19.119 -3.406 1.00 32.33 H new ATOM 0 HH11 ARG A 205 16.991 19.394 -3.802 1.00 64.22 H new ATOM 0 HH12 ARG A 205 16.732 19.958 -2.148 1.00 64.22 H new ATOM 0 HH21 ARG A 205 20.147 19.844 -1.282 1.00 23.53 H new ATOM 0 HH22 ARG A 205 18.510 20.212 -0.728 1.00 23.53 H new ATOM 1418 N ASP A 206 14.213 16.924 -5.995 1.00 20.31 N ATOM 1419 CA ASP A 206 12.829 17.299 -5.732 1.00 13.34 C ATOM 1420 C ASP A 206 11.922 16.072 -5.738 1.00 2.33 C ATOM 1421 O ASP A 206 10.740 16.159 -5.405 1.00 53.51 O ATOM 1422 CB ASP A 206 12.346 18.311 -6.772 1.00 74.21 C ATOM 1423 CG ASP A 206 12.642 19.742 -6.369 1.00 42.05 C ATOM 1424 OD1 ASP A 206 13.774 20.207 -6.621 1.00 12.13 O ATOM 1425 OD2 ASP A 206 11.742 20.397 -5.804 1.00 3.31 O ATOM 0 H ASP A 206 14.536 17.139 -6.938 1.00 20.31 H new ATOM 0 HA ASP A 206 12.784 17.756 -4.743 1.00 13.34 H new ATOM 0 HB2 ASP A 206 12.823 18.100 -7.729 1.00 74.21 H new ATOM 0 HB3 ASP A 206 11.272 18.193 -6.918 1.00 74.21 H new ATOM 1430 N HIS A 207 12.484 14.930 -6.119 1.00 20.51 N ATOM 1431 CA HIS A 207 11.726 13.684 -6.169 1.00 1.31 C ATOM 1432 C HIS A 207 11.553 13.097 -4.771 1.00 64.04 C ATOM 1433 O HIS A 207 12.328 13.396 -3.863 1.00 63.42 O ATOM 1434 CB HIS A 207 12.426 12.673 -7.077 1.00 71.30 C ATOM 1435 CG HIS A 207 12.019 12.776 -8.515 1.00 12.44 C ATOM 1436 ND1 HIS A 207 12.323 11.814 -9.454 1.00 72.11 N ATOM 1437 CD2 HIS A 207 11.326 13.736 -9.172 1.00 21.24 C ATOM 1438 CE1 HIS A 207 11.836 12.178 -10.627 1.00 61.32 C ATOM 1439 NE2 HIS A 207 11.226 13.340 -10.483 1.00 1.32 N ATOM 0 H HIS A 207 13.461 14.841 -6.398 1.00 20.51 H new ATOM 0 HA HIS A 207 10.739 13.904 -6.576 1.00 1.31 H new ATOM 0 HB2 HIS A 207 13.504 12.815 -7.002 1.00 71.30 H new ATOM 0 HB3 HIS A 207 12.212 11.666 -6.719 1.00 71.30 H new ATOM 0 HD2 HIS A 207 10.926 14.644 -8.745 1.00 21.24 H new ATOM 0 HE1 HIS A 207 11.922 11.620 -11.547 1.00 61.32 H new ATOM 0 HE2 HIS A 207 10.757 13.859 -11.225 1.00 1.32 H new ATOM 1446 N GLN A 208 10.533 12.262 -4.608 1.00 35.23 N ATOM 1447 CA GLN A 208 10.258 11.635 -3.320 1.00 62.53 C ATOM 1448 C GLN A 208 10.781 10.202 -3.290 1.00 50.13 C ATOM 1449 O GLN A 208 10.162 9.293 -3.844 1.00 24.24 O ATOM 1450 CB GLN A 208 8.756 11.648 -3.032 1.00 71.15 C ATOM 1451 CG GLN A 208 8.401 11.184 -1.629 1.00 3.21 C ATOM 1452 CD GLN A 208 6.966 10.710 -1.516 1.00 53.31 C ATOM 1453 OE1 GLN A 208 6.087 11.453 -1.078 1.00 1.41 O ATOM 1454 NE2 GLN A 208 6.720 9.467 -1.912 1.00 75.03 N ATOM 0 H GLN A 208 9.883 12.004 -5.351 1.00 35.23 H new ATOM 0 HA GLN A 208 10.773 12.207 -2.549 1.00 62.53 H new ATOM 0 HB2 GLN A 208 8.375 12.659 -3.178 1.00 71.15 H new ATOM 0 HB3 GLN A 208 8.250 11.009 -3.756 1.00 71.15 H new ATOM 0 HG2 GLN A 208 9.071 10.375 -1.338 1.00 3.21 H new ATOM 0 HG3 GLN A 208 8.566 12.002 -0.928 1.00 3.21 H new ATOM 0 HE21 GLN A 208 7.479 8.886 -2.269 1.00 75.03 H new ATOM 0 HE22 GLN A 208 5.772 9.093 -1.860 1.00 75.03 H new ATOM 1463 N VAL A 209 11.924 10.008 -2.641 1.00 5.11 N ATOM 1464 CA VAL A 209 12.530 8.686 -2.538 1.00 45.00 C ATOM 1465 C VAL A 209 12.491 8.173 -1.103 1.00 13.42 C ATOM 1466 O VAL A 209 12.030 8.868 -0.197 1.00 73.15 O ATOM 1467 CB VAL A 209 13.991 8.699 -3.027 1.00 21.52 C ATOM 1468 CG1 VAL A 209 14.059 9.084 -4.497 1.00 2.55 C ATOM 1469 CG2 VAL A 209 14.828 9.645 -2.179 1.00 70.22 C ATOM 0 H VAL A 209 12.449 10.750 -2.178 1.00 5.11 H new ATOM 0 HA VAL A 209 11.947 8.020 -3.174 1.00 45.00 H new ATOM 0 HB VAL A 209 14.401 7.695 -2.921 1.00 21.52 H new ATOM 0 HG11 VAL A 209 15.099 9.088 -4.824 1.00 2.55 H new ATOM 0 HG12 VAL A 209 13.495 8.363 -5.088 1.00 2.55 H new ATOM 0 HG13 VAL A 209 13.632 10.078 -4.633 1.00 2.55 H new ATOM 0 HG21 VAL A 209 15.857 9.642 -2.538 1.00 70.22 H new ATOM 0 HG22 VAL A 209 14.422 10.654 -2.251 1.00 70.22 H new ATOM 0 HG23 VAL A 209 14.806 9.318 -1.139 1.00 70.22 H new ATOM 1479 N ALA A 210 12.978 6.953 -0.902 1.00 53.24 N ATOM 1480 CA ALA A 210 13.000 6.348 0.423 1.00 23.04 C ATOM 1481 C ALA A 210 14.384 5.798 0.752 1.00 1.34 C ATOM 1482 O ALA A 210 15.114 5.357 -0.135 1.00 2.43 O ATOM 1483 CB ALA A 210 11.956 5.245 0.518 1.00 1.41 C ATOM 0 H ALA A 210 13.363 6.364 -1.641 1.00 53.24 H new ATOM 0 HA ALA A 210 12.762 7.122 1.152 1.00 23.04 H new ATOM 0 HB1 ALA A 210 11.984 4.802 1.514 1.00 1.41 H new ATOM 0 HB2 ALA A 210 10.966 5.664 0.335 1.00 1.41 H new ATOM 0 HB3 ALA A 210 12.169 4.478 -0.226 1.00 1.41 H new ATOM 1489 N ALA A 211 14.739 5.829 2.033 1.00 73.51 N ATOM 1490 CA ALA A 211 16.035 5.332 2.479 1.00 54.04 C ATOM 1491 C ALA A 211 15.909 3.940 3.089 1.00 51.12 C ATOM 1492 O ALA A 211 14.858 3.575 3.617 1.00 54.13 O ATOM 1493 CB ALA A 211 16.653 6.296 3.481 1.00 72.24 C ATOM 0 H ALA A 211 14.147 6.193 2.780 1.00 73.51 H new ATOM 0 HA ALA A 211 16.688 5.261 1.609 1.00 54.04 H new ATOM 0 HB1 ALA A 211 17.620 5.913 3.806 1.00 72.24 H new ATOM 0 HB2 ALA A 211 16.788 7.271 3.012 1.00 72.24 H new ATOM 0 HB3 ALA A 211 15.994 6.396 4.344 1.00 72.24 H new