USER MOD reduce.3.24.130724 H: found=0, std=0, add=599, rem=0, adj=23 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 -169:sc= -0.049 USER MOD Set 1.2: A 204 HIS : no HD1:sc= 0.165 K(o=0.88,f=-1.5) USER MOD Set 1.3: A 207 HIS : no HE2:sc= 0.761 K(o=0.88,f=-6.9!) USER MOD Set 2.1: A 175 CYS SG : rot 154:sc= 0.183 USER MOD Set 2.2: A 178 HIS : no HD1:sc= -1.19 K(o=-0.21,f=0.39) USER MOD Set 2.3: A 195 CYS SG : rot 180:sc= 0.304 USER MOD Set 2.4: A 198 CYS SG : rot 83:sc= 0.502 USER MOD Set 3.1: A 134 CYS SG : rot 28:sc= 0.895 USER MOD Set 3.2: A 137 CYS SG : rot 180:sc= 0 USER MOD Set 3.3: A 149 THR OG1 : rot 180:sc= -0.703 USER MOD Set 3.4: A 150 HIS : no HD1:sc= -1.7 K(o=-1.5,f=-2.6) USER MOD Set 3.5: A 159 HIS : no HE2:sc= 0.0508 K(o=-1.5,f=-5.8) USER MOD Set 4.1: A 133 THR OG1 : rot 90:sc= -0.249 USER MOD Set 4.2: A 140 SER OG : rot 87:sc= 1.1 USER MOD Set 5.1: A 119 CYS SG : rot -148:sc= 0.121 USER MOD Set 5.2: A 122 CYS SG : rot 25:sc= 0.0971 USER MOD Set 5.3: A 124 GLN : amide:sc= -0.188 K(o=1.4,f=0.53) USER MOD Set 5.4: A 128 GLN : amide:sc= 0 X(o=1.4,f=1.4) USER MOD Set 5.5: A 142 CYS SG : rot -134:sc= 0.267 USER MOD Set 5.6: A 145 CYS SG : rot -143:sc= 1.1 USER MOD Single : A 116 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.0509) USER MOD Single : A 120 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 132 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.0589) USER MOD Single : A 136 THR OG1 : rot -150:sc= 0.0776 USER MOD Single : A 141 TYR OH : rot -56:sc= 0.461 USER MOD Single : A 147 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 174 MET CE :methyl 165:sc= -0.0379 (180deg=-0.388) USER MOD Single : A 182 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 184 ASN : amide:sc= 0.0424 K(o=0.042,f=-2) USER MOD Single : A 185 MET CE :methyl -142:sc= 0 (180deg=-0.11) USER MOD Single : A 186 TYR OH : rot -1:sc= 0.294 USER MOD Single : A 189 THR OG1 : rot 180:sc= 7e-05 USER MOD Single : A 192 GLN : amide:sc= 0.516 X(o=0.52,f=0.24) USER MOD Single : A 199 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 208 GLN : amide:sc= -0.118 K(o=-0.12,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 26 N LYS A 116 2.082 2.022 -4.716 1.00 11.44 N ATOM 27 CA LYS A 116 2.991 2.244 -5.834 1.00 1.23 C ATOM 28 C LYS A 116 2.346 3.134 -6.891 1.00 51.13 C ATOM 29 O LYS A 116 1.191 3.540 -6.756 1.00 24.54 O ATOM 30 CB LYS A 116 3.401 0.908 -6.457 1.00 51.02 C ATOM 31 CG LYS A 116 4.661 0.315 -5.851 1.00 0.01 C ATOM 32 CD LYS A 116 4.771 -1.173 -6.138 1.00 32.14 C ATOM 33 CE LYS A 116 5.466 -1.910 -5.003 1.00 13.43 C ATOM 34 NZ LYS A 116 4.581 -2.059 -3.814 1.00 52.42 N ATOM 0 HA LYS A 116 3.879 2.748 -5.453 1.00 1.23 H new ATOM 0 HB2 LYS A 116 2.583 0.197 -6.342 1.00 51.02 H new ATOM 0 HB3 LYS A 116 3.554 1.047 -7.527 1.00 51.02 H new ATOM 0 HG2 LYS A 116 5.535 0.829 -6.251 1.00 0.01 H new ATOM 0 HG3 LYS A 116 4.660 0.480 -4.773 1.00 0.01 H new ATOM 0 HD2 LYS A 116 3.775 -1.590 -6.288 1.00 32.14 H new ATOM 0 HD3 LYS A 116 5.324 -1.326 -7.065 1.00 32.14 H new ATOM 0 HE2 LYS A 116 5.780 -2.895 -5.348 1.00 13.43 H new ATOM 0 HE3 LYS A 116 6.369 -1.370 -4.718 1.00 13.43 H new ATOM 0 HZ1 LYS A 116 4.999 -2.746 -3.154 1.00 52.42 H new ATOM 0 HZ2 LYS A 116 4.480 -1.139 -3.339 1.00 52.42 H new ATOM 0 HZ3 LYS A 116 3.645 -2.396 -4.118 1.00 52.42 H new ATOM 48 N VAL A 117 3.098 3.433 -7.945 1.00 43.45 N ATOM 49 CA VAL A 117 2.599 4.273 -9.028 1.00 13.14 C ATOM 50 C VAL A 117 2.088 3.427 -10.189 1.00 1.23 C ATOM 51 O VAL A 117 2.735 2.463 -10.600 1.00 73.12 O ATOM 52 CB VAL A 117 3.689 5.230 -9.545 1.00 2.13 C ATOM 53 CG1 VAL A 117 4.807 4.451 -10.221 1.00 72.10 C ATOM 54 CG2 VAL A 117 3.091 6.255 -10.497 1.00 34.43 C ATOM 0 H VAL A 117 4.056 3.106 -8.072 1.00 43.45 H new ATOM 0 HA VAL A 117 1.776 4.859 -8.620 1.00 13.14 H new ATOM 0 HB VAL A 117 4.113 5.763 -8.694 1.00 2.13 H new ATOM 0 HG11 VAL A 117 5.568 5.144 -10.580 1.00 72.10 H new ATOM 0 HG12 VAL A 117 5.254 3.761 -9.506 1.00 72.10 H new ATOM 0 HG13 VAL A 117 4.402 3.889 -11.063 1.00 72.10 H new ATOM 0 HG21 VAL A 117 3.876 6.923 -10.852 1.00 34.43 H new ATOM 0 HG22 VAL A 117 2.639 5.743 -11.346 1.00 34.43 H new ATOM 0 HG23 VAL A 117 2.330 6.835 -9.976 1.00 34.43 H new ATOM 64 N LEU A 118 0.924 3.794 -10.714 1.00 4.32 N ATOM 65 CA LEU A 118 0.326 3.070 -11.829 1.00 73.53 C ATOM 66 C LEU A 118 0.661 3.741 -13.157 1.00 74.13 C ATOM 67 O LEU A 118 0.768 4.965 -13.203 1.00 14.51 O ATOM 68 CB LEU A 118 -1.192 2.988 -11.654 1.00 63.25 C ATOM 69 CG LEU A 118 -1.702 1.890 -10.720 1.00 65.12 C ATOM 70 CD1 LEU A 118 -2.917 2.372 -9.943 1.00 63.02 C ATOM 71 CD2 LEU A 118 -2.035 0.631 -11.508 1.00 42.40 C ATOM 0 H LEU A 118 0.376 4.589 -10.385 1.00 4.32 H new ATOM 0 HA LEU A 118 0.740 2.062 -11.839 1.00 73.53 H new ATOM 0 HB2 LEU A 118 -1.547 3.949 -11.281 1.00 63.25 H new ATOM 0 HB3 LEU A 118 -1.643 2.841 -12.635 1.00 63.25 H new ATOM 0 HG LEU A 118 -0.913 1.650 -10.008 1.00 65.12 H new ATOM 0 HD11 LEU A 118 -3.266 1.577 -9.284 1.00 63.02 H new ATOM 0 HD12 LEU A 118 -2.646 3.244 -9.348 1.00 63.02 H new ATOM 0 HD13 LEU A 118 -3.711 2.640 -10.640 1.00 63.02 H new ATOM 0 HD21 LEU A 118 -2.396 -0.140 -10.827 1.00 42.40 H new ATOM 0 HD22 LEU A 118 -2.807 0.856 -12.244 1.00 42.40 H new ATOM 0 HD23 LEU A 118 -1.140 0.274 -12.018 1.00 42.40 H new ATOM 83 N CYS A 119 0.815 2.935 -14.198 1.00 31.04 N ATOM 84 CA CYS A 119 1.133 3.464 -15.513 1.00 63.51 C ATOM 85 C CYS A 119 -0.006 4.388 -15.948 1.00 22.30 C ATOM 86 O CYS A 119 -1.058 3.951 -16.414 1.00 25.50 O ATOM 87 CB CYS A 119 1.380 2.345 -16.528 1.00 12.14 C ATOM 88 SG CYS A 119 2.381 2.976 -17.924 1.00 21.25 S ATOM 0 H CYS A 119 0.725 1.920 -14.157 1.00 31.04 H new ATOM 0 HA CYS A 119 2.062 4.033 -15.464 1.00 63.51 H new ATOM 0 HB2 CYS A 119 1.895 1.514 -16.047 1.00 12.14 H new ATOM 0 HB3 CYS A 119 0.429 1.960 -16.896 1.00 12.14 H new ATOM 0 HG CYS A 119 2.051 2.348 -19.013 1.00 21.25 H new ATOM 93 N GLN A 120 0.230 5.685 -15.784 1.00 11.43 N ATOM 94 CA GLN A 120 -0.758 6.693 -16.150 1.00 12.11 C ATOM 95 C GLN A 120 -0.974 6.721 -17.659 1.00 61.35 C ATOM 96 O GLN A 120 -1.995 7.211 -18.142 1.00 70.32 O ATOM 97 CB GLN A 120 -0.316 8.073 -15.661 1.00 4.23 C ATOM 98 CG GLN A 120 -1.286 9.187 -16.022 1.00 23.42 C ATOM 99 CD GLN A 120 -0.788 10.554 -15.597 1.00 54.44 C ATOM 100 OE1 GLN A 120 -0.499 11.410 -16.435 1.00 20.25 O ATOM 101 NE2 GLN A 120 -0.686 10.768 -14.291 1.00 14.32 N ATOM 0 H GLN A 120 1.096 6.063 -15.400 1.00 11.43 H new ATOM 0 HA GLN A 120 -1.701 6.431 -15.671 1.00 12.11 H new ATOM 0 HB2 GLN A 120 -0.196 8.044 -14.578 1.00 4.23 H new ATOM 0 HB3 GLN A 120 0.662 8.303 -16.084 1.00 4.23 H new ATOM 0 HG2 GLN A 120 -1.453 9.184 -17.099 1.00 23.42 H new ATOM 0 HG3 GLN A 120 -2.249 8.992 -15.550 1.00 23.42 H new ATOM 0 HE21 GLN A 120 -0.936 10.031 -13.632 1.00 14.32 H new ATOM 0 HE22 GLN A 120 -0.357 11.670 -13.946 1.00 14.32 H new ATOM 110 N PHE A 121 -0.006 6.192 -18.400 1.00 64.13 N ATOM 111 CA PHE A 121 -0.089 6.157 -19.856 1.00 2.23 C ATOM 112 C PHE A 121 -0.347 4.737 -20.352 1.00 2.50 C ATOM 113 O PHE A 121 0.229 4.338 -21.363 1.00 52.30 O ATOM 114 CB PHE A 121 1.201 6.699 -20.475 1.00 2.34 C ATOM 115 CG PHE A 121 1.268 8.200 -20.504 1.00 33.42 C ATOM 116 CD1 PHE A 121 1.141 8.935 -19.336 1.00 72.33 C ATOM 117 CD2 PHE A 121 1.457 8.875 -21.699 1.00 35.30 C ATOM 118 CE1 PHE A 121 1.202 10.315 -19.360 1.00 11.45 C ATOM 119 CE2 PHE A 121 1.519 10.255 -21.728 1.00 51.04 C ATOM 120 CZ PHE A 121 1.390 10.976 -20.557 1.00 42.35 C ATOM 0 H PHE A 121 0.845 5.782 -18.016 1.00 64.13 H new ATOM 0 HA PHE A 121 -0.924 6.788 -20.163 1.00 2.23 H new ATOM 0 HB2 PHE A 121 2.053 6.316 -19.913 1.00 2.34 H new ATOM 0 HB3 PHE A 121 1.294 6.319 -21.493 1.00 2.34 H new ATOM 0 HD1 PHE A 121 0.993 8.423 -18.397 1.00 72.33 H new ATOM 0 HD2 PHE A 121 1.557 8.316 -22.618 1.00 35.30 H new ATOM 0 HE1 PHE A 121 1.103 10.876 -18.443 1.00 11.45 H new ATOM 0 HE2 PHE A 121 1.668 10.770 -22.666 1.00 51.04 H new ATOM 0 HZ PHE A 121 1.436 12.055 -20.578 1.00 42.35 H new ATOM 130 N CYS A 122 -1.197 4.015 -19.637 1.00 63.54 N ATOM 131 CA CYS A 122 -1.519 2.649 -20.014 1.00 64.35 C ATOM 132 C CYS A 122 -2.891 2.648 -20.691 1.00 63.22 C ATOM 133 O CYS A 122 -3.792 3.410 -20.340 1.00 61.33 O ATOM 134 CB CYS A 122 -1.475 1.705 -18.811 1.00 60.53 C ATOM 135 SG CYS A 122 -0.241 0.384 -19.096 1.00 45.04 S ATOM 0 H CYS A 122 -1.672 4.350 -18.799 1.00 63.54 H new ATOM 0 HA CYS A 122 -0.770 2.276 -20.713 1.00 64.35 H new ATOM 0 HB2 CYS A 122 -1.221 2.263 -17.910 1.00 60.53 H new ATOM 0 HB3 CYS A 122 -2.459 1.266 -18.647 1.00 60.53 H new ATOM 0 HG CYS A 122 0.654 0.801 -19.941 1.00 45.04 H new ATOM 140 N ASP A 123 -3.030 1.768 -21.677 1.00 41.41 N ATOM 141 CA ASP A 123 -4.279 1.644 -22.420 1.00 64.01 C ATOM 142 C ASP A 123 -4.720 0.186 -22.501 1.00 31.05 C ATOM 143 O ASP A 123 -5.095 -0.300 -23.567 1.00 34.11 O ATOM 144 CB ASP A 123 -4.119 2.220 -23.828 1.00 24.20 C ATOM 145 CG ASP A 123 -5.445 2.615 -24.446 1.00 74.41 C ATOM 146 OD1 ASP A 123 -6.363 2.995 -23.689 1.00 73.22 O ATOM 147 OD2 ASP A 123 -5.566 2.544 -25.687 1.00 4.31 O ATOM 0 H ASP A 123 -2.294 1.130 -21.980 1.00 41.41 H new ATOM 0 HA ASP A 123 -5.046 2.208 -21.890 1.00 64.01 H new ATOM 0 HB2 ASP A 123 -3.466 3.092 -23.789 1.00 24.20 H new ATOM 0 HB3 ASP A 123 -3.630 1.483 -24.465 1.00 24.20 H new ATOM 152 N GLN A 124 -4.671 -0.505 -21.366 1.00 60.34 N ATOM 153 CA GLN A 124 -5.064 -1.908 -21.310 1.00 33.21 C ATOM 154 C GLN A 124 -6.521 -2.048 -20.880 1.00 22.31 C ATOM 155 O GLN A 124 -7.304 -2.745 -21.525 1.00 33.42 O ATOM 156 CB GLN A 124 -4.159 -2.675 -20.344 1.00 71.02 C ATOM 157 CG GLN A 124 -2.844 -3.119 -20.965 1.00 55.13 C ATOM 158 CD GLN A 124 -1.851 -3.616 -19.934 1.00 65.44 C ATOM 159 OE1 GLN A 124 -0.795 -3.015 -19.732 1.00 15.25 O ATOM 160 NE2 GLN A 124 -2.183 -4.721 -19.276 1.00 43.21 N ATOM 0 H GLN A 124 -4.364 -0.117 -20.474 1.00 60.34 H new ATOM 0 HA GLN A 124 -4.957 -2.330 -22.309 1.00 33.21 H new ATOM 0 HB2 GLN A 124 -3.949 -2.046 -19.479 1.00 71.02 H new ATOM 0 HB3 GLN A 124 -4.693 -3.552 -19.978 1.00 71.02 H new ATOM 0 HG2 GLN A 124 -3.037 -3.911 -21.689 1.00 55.13 H new ATOM 0 HG3 GLN A 124 -2.406 -2.285 -21.514 1.00 55.13 H new ATOM 0 HE21 GLN A 124 -3.068 -5.187 -19.475 1.00 43.21 H new ATOM 0 HE22 GLN A 124 -1.553 -5.104 -18.571 1.00 43.21 H new ATOM 169 N ASP A 125 -6.876 -1.382 -19.787 1.00 34.10 N ATOM 170 CA ASP A 125 -8.239 -1.432 -19.271 1.00 14.32 C ATOM 171 C ASP A 125 -8.612 -2.852 -18.856 1.00 1.43 C ATOM 172 O ASP A 125 -9.174 -3.625 -19.632 1.00 44.52 O ATOM 173 CB ASP A 125 -9.225 -0.920 -20.323 1.00 3.54 C ATOM 174 CG ASP A 125 -9.738 0.472 -20.006 1.00 62.43 C ATOM 175 OD1 ASP A 125 -9.047 1.452 -20.355 1.00 15.52 O ATOM 176 OD2 ASP A 125 -10.830 0.579 -19.411 1.00 51.51 O ATOM 0 H ASP A 125 -6.239 -0.801 -19.241 1.00 34.10 H new ATOM 0 HA ASP A 125 -8.291 -0.790 -18.392 1.00 14.32 H new ATOM 0 HB2 ASP A 125 -8.739 -0.912 -21.299 1.00 3.54 H new ATOM 0 HB3 ASP A 125 -10.068 -1.608 -20.392 1.00 3.54 H new ATOM 181 N PRO A 126 -8.292 -3.205 -17.602 1.00 62.21 N ATOM 182 CA PRO A 126 -7.623 -2.294 -16.669 1.00 4.10 C ATOM 183 C PRO A 126 -6.176 -2.018 -17.065 1.00 12.10 C ATOM 184 O PRO A 126 -5.573 -2.781 -17.819 1.00 2.13 O ATOM 185 CB PRO A 126 -7.678 -3.046 -15.337 1.00 71.31 C ATOM 186 CG PRO A 126 -7.772 -4.484 -15.718 1.00 12.54 C ATOM 187 CD PRO A 126 -8.558 -4.522 -16.999 1.00 62.12 C ATOM 0 HA PRO A 126 -8.102 -1.315 -16.642 1.00 4.10 H new ATOM 0 HB2 PRO A 126 -6.789 -2.853 -14.736 1.00 71.31 H new ATOM 0 HB3 PRO A 126 -8.538 -2.737 -14.743 1.00 71.31 H new ATOM 0 HG2 PRO A 126 -6.781 -4.917 -15.855 1.00 12.54 H new ATOM 0 HG3 PRO A 126 -8.268 -5.063 -14.939 1.00 12.54 H new ATOM 0 HD2 PRO A 126 -8.230 -5.334 -17.648 1.00 62.12 H new ATOM 0 HD3 PRO A 126 -9.622 -4.672 -16.813 1.00 62.12 H new ATOM 195 N ALA A 127 -5.626 -0.923 -16.552 1.00 4.34 N ATOM 196 CA ALA A 127 -4.249 -0.548 -16.850 1.00 0.10 C ATOM 197 C ALA A 127 -3.266 -1.340 -15.994 1.00 75.22 C ATOM 198 O ALA A 127 -3.669 -2.171 -15.180 1.00 0.51 O ATOM 199 CB ALA A 127 -4.051 0.946 -16.638 1.00 61.34 C ATOM 0 H ALA A 127 -6.113 -0.280 -15.928 1.00 4.34 H new ATOM 0 HA ALA A 127 -4.053 -0.785 -17.896 1.00 0.10 H new ATOM 0 HB1 ALA A 127 -3.018 1.212 -16.864 1.00 61.34 H new ATOM 0 HB2 ALA A 127 -4.721 1.499 -17.297 1.00 61.34 H new ATOM 0 HB3 ALA A 127 -4.272 1.199 -15.601 1.00 61.34 H new ATOM 205 N GLN A 128 -1.978 -1.078 -16.185 1.00 65.22 N ATOM 206 CA GLN A 128 -0.938 -1.769 -15.431 1.00 12.21 C ATOM 207 C GLN A 128 -0.095 -0.779 -14.634 1.00 13.13 C ATOM 208 O GLN A 128 -0.333 0.428 -14.675 1.00 13.31 O ATOM 209 CB GLN A 128 -0.044 -2.575 -16.375 1.00 3.54 C ATOM 210 CG GLN A 128 0.085 -4.039 -15.988 1.00 61.12 C ATOM 211 CD GLN A 128 1.267 -4.716 -16.653 1.00 64.20 C ATOM 212 OE1 GLN A 128 1.226 -5.037 -17.841 1.00 63.21 O ATOM 213 NE2 GLN A 128 2.330 -4.937 -15.888 1.00 63.23 N ATOM 0 H GLN A 128 -1.629 -0.393 -16.855 1.00 65.22 H new ATOM 0 HA GLN A 128 -1.423 -2.450 -14.732 1.00 12.21 H new ATOM 0 HB2 GLN A 128 -0.445 -2.509 -17.386 1.00 3.54 H new ATOM 0 HB3 GLN A 128 0.948 -2.124 -16.395 1.00 3.54 H new ATOM 0 HG2 GLN A 128 0.188 -4.117 -14.906 1.00 61.12 H new ATOM 0 HG3 GLN A 128 -0.830 -4.565 -16.260 1.00 61.12 H new ATOM 0 HE21 GLN A 128 2.321 -4.654 -14.908 1.00 63.23 H new ATOM 0 HE22 GLN A 128 3.156 -5.389 -16.281 1.00 63.23 H new ATOM 222 N ASP A 129 0.890 -1.298 -13.909 1.00 13.32 N ATOM 223 CA ASP A 129 1.769 -0.459 -13.102 1.00 71.32 C ATOM 224 C ASP A 129 3.105 -0.239 -13.805 1.00 53.41 C ATOM 225 O ASP A 129 3.517 -1.041 -14.642 1.00 53.02 O ATOM 226 CB ASP A 129 1.999 -1.096 -11.731 1.00 21.12 C ATOM 227 CG ASP A 129 2.305 -2.578 -11.825 1.00 3.13 C ATOM 228 OD1 ASP A 129 3.444 -2.926 -12.202 1.00 30.21 O ATOM 229 OD2 ASP A 129 1.407 -3.389 -11.520 1.00 73.50 O ATOM 0 H ASP A 129 1.100 -2.295 -13.863 1.00 13.32 H new ATOM 0 HA ASP A 129 1.285 0.509 -12.968 1.00 71.32 H new ATOM 0 HB2 ASP A 129 2.824 -0.589 -11.232 1.00 21.12 H new ATOM 0 HB3 ASP A 129 1.114 -0.949 -11.112 1.00 21.12 H new ATOM 234 N ALA A 130 3.776 0.855 -13.459 1.00 51.14 N ATOM 235 CA ALA A 130 5.065 1.181 -14.056 1.00 61.23 C ATOM 236 C ALA A 130 6.207 0.896 -13.087 1.00 31.44 C ATOM 237 O ALA A 130 6.263 1.461 -11.995 1.00 3.24 O ATOM 238 CB ALA A 130 5.092 2.638 -14.492 1.00 52.41 C ATOM 0 H ALA A 130 3.448 1.530 -12.768 1.00 51.14 H new ATOM 0 HA ALA A 130 5.201 0.548 -14.933 1.00 61.23 H new ATOM 0 HB1 ALA A 130 6.061 2.867 -14.936 1.00 52.41 H new ATOM 0 HB2 ALA A 130 4.306 2.813 -15.227 1.00 52.41 H new ATOM 0 HB3 ALA A 130 4.929 3.280 -13.626 1.00 52.41 H new ATOM 244 N VAL A 131 7.115 0.014 -13.492 1.00 44.01 N ATOM 245 CA VAL A 131 8.256 -0.346 -12.659 1.00 24.11 C ATOM 246 C VAL A 131 9.557 0.192 -13.245 1.00 53.12 C ATOM 247 O VAL A 131 10.605 0.152 -12.601 1.00 1.11 O ATOM 248 CB VAL A 131 8.373 -1.873 -12.496 1.00 72.32 C ATOM 249 CG1 VAL A 131 7.125 -2.437 -11.834 1.00 54.42 C ATOM 250 CG2 VAL A 131 8.616 -2.535 -13.844 1.00 63.21 C ATOM 0 H VAL A 131 7.083 -0.465 -14.392 1.00 44.01 H new ATOM 0 HA VAL A 131 8.087 0.105 -11.681 1.00 24.11 H new ATOM 0 HB VAL A 131 9.226 -2.088 -11.852 1.00 72.32 H new ATOM 0 HG11 VAL A 131 7.226 -3.517 -11.727 1.00 54.42 H new ATOM 0 HG12 VAL A 131 6.999 -1.985 -10.850 1.00 54.42 H new ATOM 0 HG13 VAL A 131 6.254 -2.213 -12.450 1.00 54.42 H new ATOM 0 HG21 VAL A 131 8.696 -3.614 -13.710 1.00 63.21 H new ATOM 0 HG22 VAL A 131 7.785 -2.313 -14.513 1.00 63.21 H new ATOM 0 HG23 VAL A 131 9.541 -2.153 -14.275 1.00 63.21 H new ATOM 260 N LYS A 132 9.482 0.697 -14.472 1.00 72.42 N ATOM 261 CA LYS A 132 10.652 1.246 -15.147 1.00 71.40 C ATOM 262 C LYS A 132 10.493 2.745 -15.379 1.00 74.33 C ATOM 263 O LYS A 132 9.387 3.282 -15.303 1.00 20.23 O ATOM 264 CB LYS A 132 10.877 0.533 -16.482 1.00 60.15 C ATOM 265 CG LYS A 132 12.051 -0.431 -16.467 1.00 52.12 C ATOM 266 CD LYS A 132 12.476 -0.814 -17.875 1.00 2.02 C ATOM 267 CE LYS A 132 12.278 -2.300 -18.132 1.00 2.11 C ATOM 268 NZ LYS A 132 13.213 -2.812 -19.172 1.00 72.20 N ATOM 0 H LYS A 132 8.622 0.737 -15.019 1.00 72.42 H new ATOM 0 HA LYS A 132 11.519 1.086 -14.506 1.00 71.40 H new ATOM 0 HB2 LYS A 132 9.973 -0.013 -16.749 1.00 60.15 H new ATOM 0 HB3 LYS A 132 11.040 1.279 -17.260 1.00 60.15 H new ATOM 0 HG2 LYS A 132 12.891 0.026 -15.944 1.00 52.12 H new ATOM 0 HG3 LYS A 132 11.779 -1.328 -15.911 1.00 52.12 H new ATOM 0 HD2 LYS A 132 11.900 -0.238 -18.599 1.00 2.02 H new ATOM 0 HD3 LYS A 132 13.524 -0.555 -18.023 1.00 2.02 H new ATOM 0 HE2 LYS A 132 12.429 -2.852 -17.204 1.00 2.11 H new ATOM 0 HE3 LYS A 132 11.250 -2.480 -18.447 1.00 2.11 H new ATOM 0 HZ1 LYS A 132 12.844 -3.703 -19.562 1.00 72.20 H new ATOM 0 HZ2 LYS A 132 13.302 -2.111 -19.935 1.00 72.20 H new ATOM 0 HZ3 LYS A 132 14.147 -2.981 -18.747 1.00 72.20 H new ATOM 282 N THR A 133 11.604 3.416 -15.665 1.00 51.20 N ATOM 283 CA THR A 133 11.587 4.853 -15.909 1.00 24.11 C ATOM 284 C THR A 133 12.750 5.272 -16.802 1.00 14.43 C ATOM 285 O THR A 133 13.887 4.890 -16.529 1.00 15.44 O ATOM 286 CB THR A 133 11.655 5.647 -14.591 1.00 13.31 C ATOM 287 OG1 THR A 133 10.751 5.085 -13.633 1.00 73.23 O ATOM 288 CG2 THR A 133 11.310 7.111 -14.823 1.00 32.42 C ATOM 0 H THR A 133 12.527 2.987 -15.733 1.00 51.20 H new ATOM 0 HA THR A 133 10.646 5.078 -16.412 1.00 24.11 H new ATOM 0 HB THR A 133 12.674 5.586 -14.208 1.00 13.31 H new ATOM 0 HG1 THR A 133 11.213 4.396 -13.112 1.00 73.23 H new ATOM 0 HG21 THR A 133 11.365 7.652 -13.878 1.00 32.42 H new ATOM 0 HG22 THR A 133 12.017 7.544 -15.530 1.00 32.42 H new ATOM 0 HG23 THR A 133 10.300 7.187 -15.227 1.00 32.42 H new ATOM 296 N CYS A 134 12.445 6.041 -17.837 1.00 74.21 N ATOM 297 CA CYS A 134 13.472 6.502 -18.755 1.00 60.23 C ATOM 298 C CYS A 134 13.816 7.950 -18.403 1.00 43.31 C ATOM 299 O CYS A 134 12.947 8.791 -18.172 1.00 72.30 O ATOM 300 CB CYS A 134 13.033 6.358 -20.214 1.00 0.01 C ATOM 301 SG CYS A 134 14.289 7.096 -21.321 1.00 50.42 S ATOM 0 H CYS A 134 11.501 6.356 -18.060 1.00 74.21 H new ATOM 0 HA CYS A 134 14.362 5.882 -18.649 1.00 60.23 H new ATOM 0 HB2 CYS A 134 12.895 5.305 -20.458 1.00 0.01 H new ATOM 0 HB3 CYS A 134 12.071 6.849 -20.363 1.00 0.01 H new ATOM 0 HG CYS A 134 15.458 7.031 -20.756 1.00 50.42 H new ATOM 306 N VAL A 135 15.116 8.226 -18.367 1.00 22.01 N ATOM 307 CA VAL A 135 15.606 9.562 -18.048 1.00 32.34 C ATOM 308 C VAL A 135 15.408 10.515 -19.221 1.00 61.51 C ATOM 309 O VAL A 135 14.838 11.596 -19.069 1.00 63.31 O ATOM 310 CB VAL A 135 17.098 9.536 -17.667 1.00 1.31 C ATOM 311 CG1 VAL A 135 17.534 10.889 -17.124 1.00 71.31 C ATOM 312 CG2 VAL A 135 17.371 8.434 -16.655 1.00 73.51 C ATOM 0 H VAL A 135 15.849 7.542 -18.555 1.00 22.01 H new ATOM 0 HA VAL A 135 15.027 9.916 -17.195 1.00 32.34 H new ATOM 0 HB VAL A 135 17.680 9.326 -18.564 1.00 1.31 H new ATOM 0 HG11 VAL A 135 18.591 10.852 -16.860 1.00 71.31 H new ATOM 0 HG12 VAL A 135 17.377 11.654 -17.884 1.00 71.31 H new ATOM 0 HG13 VAL A 135 16.947 11.132 -16.238 1.00 71.31 H new ATOM 0 HG21 VAL A 135 18.430 8.431 -16.398 1.00 73.51 H new ATOM 0 HG22 VAL A 135 16.780 8.611 -15.756 1.00 73.51 H new ATOM 0 HG23 VAL A 135 17.099 7.470 -17.085 1.00 73.51 H new ATOM 322 N THR A 136 15.883 10.107 -20.394 1.00 75.52 N ATOM 323 CA THR A 136 15.759 10.924 -21.595 1.00 31.44 C ATOM 324 C THR A 136 14.300 11.261 -21.882 1.00 44.12 C ATOM 325 O THR A 136 14.036 12.235 -22.586 1.00 34.23 O ATOM 326 CB THR A 136 16.361 10.214 -22.822 1.00 23.22 C ATOM 327 OG1 THR A 136 17.472 9.403 -22.423 1.00 31.14 O ATOM 328 CG2 THR A 136 16.814 11.225 -23.864 1.00 1.42 C ATOM 0 H THR A 136 16.357 9.215 -20.538 1.00 75.52 H new ATOM 0 HA THR A 136 16.312 11.845 -21.410 1.00 31.44 H new ATOM 0 HB THR A 136 15.590 9.582 -23.263 1.00 23.22 H new ATOM 0 HG1 THR A 136 18.117 9.346 -23.159 1.00 31.14 H new ATOM 0 HG21 THR A 136 17.236 10.700 -24.721 1.00 1.42 H new ATOM 0 HG22 THR A 136 15.961 11.821 -24.187 1.00 1.42 H new ATOM 0 HG23 THR A 136 17.571 11.879 -23.431 1.00 1.42 H new ATOM 336 N CYS A 137 13.396 10.460 -21.338 1.00 60.04 N ATOM 337 CA CYS A 137 11.976 10.686 -21.544 1.00 54.12 C ATOM 338 C CYS A 137 11.454 11.545 -20.390 1.00 74.44 C ATOM 339 O CYS A 137 10.502 12.312 -20.528 1.00 51.32 O ATOM 340 CB CYS A 137 11.206 9.370 -21.670 1.00 34.10 C ATOM 341 SG CYS A 137 11.444 8.662 -23.341 1.00 1.52 S ATOM 0 H CYS A 137 13.619 9.654 -20.755 1.00 60.04 H new ATOM 0 HA CYS A 137 11.822 11.212 -22.486 1.00 54.12 H new ATOM 0 HB2 CYS A 137 11.551 8.664 -20.915 1.00 34.10 H new ATOM 0 HB3 CYS A 137 10.145 9.541 -21.486 1.00 34.10 H new ATOM 0 HG CYS A 137 10.788 7.544 -23.436 1.00 1.52 H new ATOM 346 N GLU A 138 12.104 11.396 -19.241 1.00 31.25 N ATOM 347 CA GLU A 138 11.726 12.144 -18.047 1.00 74.14 C ATOM 348 C GLU A 138 10.344 11.722 -17.556 1.00 72.00 C ATOM 349 O GLU A 138 9.586 12.535 -17.025 1.00 64.45 O ATOM 350 CB GLU A 138 11.740 13.647 -18.335 1.00 31.32 C ATOM 351 CG GLU A 138 12.183 14.489 -17.150 1.00 64.33 C ATOM 352 CD GLU A 138 11.629 15.899 -17.197 1.00 44.54 C ATOM 353 OE1 GLU A 138 12.062 16.677 -18.073 1.00 44.35 O ATOM 354 OE2 GLU A 138 10.764 16.226 -16.359 1.00 33.21 O ATOM 0 H GLU A 138 12.895 10.765 -19.111 1.00 31.25 H new ATOM 0 HA GLU A 138 12.453 11.924 -17.265 1.00 74.14 H new ATOM 0 HB2 GLU A 138 12.405 13.841 -19.177 1.00 31.32 H new ATOM 0 HB3 GLU A 138 10.741 13.960 -18.639 1.00 31.32 H new ATOM 0 HG2 GLU A 138 11.862 14.007 -16.226 1.00 64.33 H new ATOM 0 HG3 GLU A 138 13.272 14.531 -17.126 1.00 64.33 H new ATOM 361 N VAL A 139 10.022 10.445 -17.737 1.00 62.03 N ATOM 362 CA VAL A 139 8.733 9.914 -17.313 1.00 35.24 C ATOM 363 C VAL A 139 8.848 8.448 -16.910 1.00 74.21 C ATOM 364 O VAL A 139 9.709 7.723 -17.408 1.00 31.42 O ATOM 365 CB VAL A 139 7.676 10.048 -18.426 1.00 23.25 C ATOM 366 CG1 VAL A 139 6.302 9.652 -17.908 1.00 71.51 C ATOM 367 CG2 VAL A 139 7.659 11.466 -18.975 1.00 45.05 C ATOM 0 H VAL A 139 10.637 9.759 -18.175 1.00 62.03 H new ATOM 0 HA VAL A 139 8.418 10.501 -16.451 1.00 35.24 H new ATOM 0 HB VAL A 139 7.941 9.371 -19.238 1.00 23.25 H new ATOM 0 HG11 VAL A 139 5.569 9.753 -18.708 1.00 71.51 H new ATOM 0 HG12 VAL A 139 6.326 8.617 -17.567 1.00 71.51 H new ATOM 0 HG13 VAL A 139 6.025 10.302 -17.078 1.00 71.51 H new ATOM 0 HG21 VAL A 139 6.907 11.543 -19.760 1.00 45.05 H new ATOM 0 HG22 VAL A 139 7.419 12.164 -18.173 1.00 45.05 H new ATOM 0 HG23 VAL A 139 8.639 11.709 -19.386 1.00 45.05 H new ATOM 377 N SER A 140 7.973 8.018 -16.006 1.00 64.41 N ATOM 378 CA SER A 140 7.979 6.638 -15.534 1.00 14.14 C ATOM 379 C SER A 140 6.847 5.840 -16.174 1.00 50.13 C ATOM 380 O SER A 140 5.670 6.152 -15.990 1.00 4.41 O ATOM 381 CB SER A 140 7.847 6.598 -14.010 1.00 0.01 C ATOM 382 OG SER A 140 8.164 5.313 -13.504 1.00 72.33 O ATOM 0 H SER A 140 7.252 8.605 -15.586 1.00 64.41 H new ATOM 0 HA SER A 140 8.928 6.185 -15.822 1.00 14.14 H new ATOM 0 HB2 SER A 140 8.509 7.341 -13.565 1.00 0.01 H new ATOM 0 HB3 SER A 140 6.830 6.865 -13.723 1.00 0.01 H new ATOM 0 HG SER A 140 9.130 5.250 -13.355 1.00 72.33 H new ATOM 388 N TYR A 141 7.212 4.809 -16.928 1.00 31.24 N ATOM 389 CA TYR A 141 6.229 3.967 -17.598 1.00 73.54 C ATOM 390 C TYR A 141 6.457 2.495 -17.268 1.00 74.53 C ATOM 391 O TYR A 141 7.391 2.178 -16.534 1.00 45.41 O ATOM 392 CB TYR A 141 6.294 4.177 -19.112 1.00 55.30 C ATOM 393 CG TYR A 141 5.848 5.554 -19.551 1.00 63.24 C ATOM 394 CD1 TYR A 141 4.744 6.166 -18.972 1.00 1.41 C ATOM 395 CD2 TYR A 141 6.533 6.242 -20.546 1.00 13.24 C ATOM 396 CE1 TYR A 141 4.333 7.424 -19.371 1.00 24.51 C ATOM 397 CE2 TYR A 141 6.130 7.500 -20.950 1.00 1.42 C ATOM 398 CZ TYR A 141 5.030 8.087 -20.360 1.00 33.41 C ATOM 399 OH TYR A 141 4.625 9.340 -20.759 1.00 74.41 O ATOM 0 H TYR A 141 8.181 4.537 -17.090 1.00 31.24 H new ATOM 0 HA TYR A 141 5.240 4.252 -17.240 1.00 73.54 H new ATOM 0 HB2 TYR A 141 7.317 4.010 -19.450 1.00 55.30 H new ATOM 0 HB3 TYR A 141 5.671 3.429 -19.601 1.00 55.30 H new ATOM 0 HD1 TYR A 141 4.197 5.650 -18.197 1.00 1.41 H new ATOM 0 HD2 TYR A 141 7.394 5.785 -21.011 1.00 13.24 H new ATOM 0 HE1 TYR A 141 3.471 7.885 -18.911 1.00 24.51 H new ATOM 0 HE2 TYR A 141 6.674 8.021 -21.724 1.00 1.42 H new ATOM 0 HH TYR A 141 3.688 9.305 -21.045 1.00 74.41 H new ATOM 409 N CYS A 142 5.607 1.636 -17.813 1.00 15.34 N ATOM 410 CA CYS A 142 5.726 0.209 -17.570 1.00 32.34 C ATOM 411 C CYS A 142 6.471 -0.419 -18.749 1.00 52.24 C ATOM 412 O CYS A 142 6.769 0.230 -19.752 1.00 45.11 O ATOM 413 CB CYS A 142 4.360 -0.443 -17.345 1.00 72.04 C ATOM 414 SG CYS A 142 3.468 -0.590 -18.937 1.00 31.55 S ATOM 0 H CYS A 142 4.833 1.902 -18.422 1.00 15.34 H new ATOM 0 HA CYS A 142 6.291 0.040 -16.653 1.00 32.34 H new ATOM 0 HB2 CYS A 142 4.487 -1.429 -16.898 1.00 72.04 H new ATOM 0 HB3 CYS A 142 3.775 0.152 -16.644 1.00 72.04 H new ATOM 0 HG CYS A 142 2.239 -0.196 -18.784 1.00 31.55 H new ATOM 419 N ASP A 143 6.766 -1.706 -18.606 1.00 60.13 N ATOM 420 CA ASP A 143 7.473 -2.448 -19.643 1.00 64.24 C ATOM 421 C ASP A 143 6.696 -2.423 -20.956 1.00 30.23 C ATOM 422 O ASP A 143 7.269 -2.207 -22.023 1.00 11.31 O ATOM 423 CB ASP A 143 7.703 -3.894 -19.200 1.00 12.34 C ATOM 424 CG ASP A 143 8.081 -4.801 -20.354 1.00 4.40 C ATOM 425 OD1 ASP A 143 9.284 -4.871 -20.684 1.00 21.44 O ATOM 426 OD2 ASP A 143 7.175 -5.440 -20.927 1.00 62.32 O ATOM 0 H ASP A 143 6.526 -2.257 -17.782 1.00 60.13 H new ATOM 0 HA ASP A 143 8.438 -1.968 -19.804 1.00 64.24 H new ATOM 0 HB2 ASP A 143 8.492 -3.919 -18.449 1.00 12.34 H new ATOM 0 HB3 ASP A 143 6.798 -4.273 -18.725 1.00 12.34 H new ATOM 431 N GLU A 144 5.389 -2.647 -20.868 1.00 34.34 N ATOM 432 CA GLU A 144 4.534 -2.652 -22.049 1.00 32.21 C ATOM 433 C GLU A 144 4.733 -1.382 -22.870 1.00 42.51 C ATOM 434 O GLU A 144 5.246 -1.459 -23.986 1.00 14.13 O ATOM 435 CB GLU A 144 3.065 -2.784 -21.642 1.00 74.31 C ATOM 436 CG GLU A 144 2.369 -3.988 -22.256 1.00 0.23 C ATOM 437 CD GLU A 144 1.248 -3.596 -23.199 1.00 44.30 C ATOM 438 OE1 GLU A 144 1.488 -2.753 -24.088 1.00 43.33 O ATOM 439 OE2 GLU A 144 0.131 -4.133 -23.048 1.00 1.15 O ATOM 0 H GLU A 144 4.899 -2.827 -19.992 1.00 34.34 H new ATOM 0 HA GLU A 144 4.812 -3.508 -22.663 1.00 32.21 H new ATOM 0 HB2 GLU A 144 3.002 -2.853 -20.556 1.00 74.31 H new ATOM 0 HB3 GLU A 144 2.533 -1.879 -21.935 1.00 74.31 H new ATOM 0 HG2 GLU A 144 3.100 -4.589 -22.797 1.00 0.23 H new ATOM 0 HG3 GLU A 144 1.967 -4.615 -21.460 1.00 0.23 H new ATOM 446 N CYS A 145 4.328 -0.253 -22.307 1.00 40.30 N ATOM 447 CA CYS A 145 4.467 1.019 -22.996 1.00 10.12 C ATOM 448 C CYS A 145 5.930 1.183 -23.411 1.00 44.21 C ATOM 449 O CYS A 145 6.251 1.550 -24.542 1.00 44.22 O ATOM 450 CB CYS A 145 3.985 2.186 -22.132 1.00 14.12 C ATOM 451 SG CYS A 145 2.254 1.903 -21.608 1.00 2.32 S ATOM 0 H CYS A 145 3.904 -0.193 -21.381 1.00 40.30 H new ATOM 0 HA CYS A 145 3.835 1.025 -23.884 1.00 10.12 H new ATOM 0 HB2 CYS A 145 4.626 2.290 -21.257 1.00 14.12 H new ATOM 0 HB3 CYS A 145 4.056 3.118 -22.693 1.00 14.12 H new ATOM 0 HG CYS A 145 1.613 3.034 -21.599 1.00 2.32 H new ATOM 456 N LEU A 146 6.818 0.901 -22.464 1.00 12.03 N ATOM 457 CA LEU A 146 8.253 1.008 -22.703 1.00 52.41 C ATOM 458 C LEU A 146 8.650 0.265 -23.975 1.00 11.25 C ATOM 459 O LEU A 146 9.637 0.609 -24.625 1.00 61.41 O ATOM 460 CB LEU A 146 9.032 0.453 -21.510 1.00 31.14 C ATOM 461 CG LEU A 146 10.556 0.513 -21.617 1.00 21.55 C ATOM 462 CD1 LEU A 146 11.104 1.672 -20.799 1.00 55.43 C ATOM 463 CD2 LEU A 146 11.174 -0.801 -21.162 1.00 24.53 C ATOM 0 H LEU A 146 6.569 0.596 -21.523 1.00 12.03 H new ATOM 0 HA LEU A 146 8.498 2.063 -22.829 1.00 52.41 H new ATOM 0 HB2 LEU A 146 8.729 1.000 -20.617 1.00 31.14 H new ATOM 0 HB3 LEU A 146 8.739 -0.586 -21.362 1.00 31.14 H new ATOM 0 HG LEU A 146 10.821 0.675 -22.662 1.00 21.55 H new ATOM 0 HD11 LEU A 146 12.190 1.698 -20.888 1.00 55.43 H new ATOM 0 HD12 LEU A 146 10.687 2.608 -21.170 1.00 55.43 H new ATOM 0 HD13 LEU A 146 10.828 1.541 -19.753 1.00 55.43 H new ATOM 0 HD21 LEU A 146 12.259 -0.741 -21.245 1.00 24.53 H new ATOM 0 HD22 LEU A 146 10.899 -0.992 -20.125 1.00 24.53 H new ATOM 0 HD23 LEU A 146 10.807 -1.613 -21.790 1.00 24.53 H new ATOM 475 N LYS A 147 7.873 -0.754 -24.325 1.00 20.33 N ATOM 476 CA LYS A 147 8.140 -1.545 -25.520 1.00 62.03 C ATOM 477 C LYS A 147 7.774 -0.767 -26.780 1.00 72.22 C ATOM 478 O LYS A 147 8.508 -0.785 -27.767 1.00 44.42 O ATOM 479 CB LYS A 147 7.357 -2.859 -25.473 1.00 52.24 C ATOM 480 CG LYS A 147 7.879 -3.913 -26.435 1.00 13.24 C ATOM 481 CD LYS A 147 6.890 -5.055 -26.600 1.00 40.33 C ATOM 482 CE LYS A 147 5.836 -4.732 -27.648 1.00 51.41 C ATOM 483 NZ LYS A 147 4.545 -5.419 -27.367 1.00 2.13 N ATOM 0 H LYS A 147 7.052 -1.052 -23.797 1.00 20.33 H new ATOM 0 HA LYS A 147 9.207 -1.766 -25.548 1.00 62.03 H new ATOM 0 HB2 LYS A 147 7.391 -3.256 -24.459 1.00 52.24 H new ATOM 0 HB3 LYS A 147 6.311 -2.657 -25.701 1.00 52.24 H new ATOM 0 HG2 LYS A 147 8.075 -3.457 -27.405 1.00 13.24 H new ATOM 0 HG3 LYS A 147 8.829 -4.303 -26.069 1.00 13.24 H new ATOM 0 HD2 LYS A 147 7.424 -5.961 -26.886 1.00 40.33 H new ATOM 0 HD3 LYS A 147 6.405 -5.259 -25.645 1.00 40.33 H new ATOM 0 HE2 LYS A 147 5.674 -3.655 -27.680 1.00 51.41 H new ATOM 0 HE3 LYS A 147 6.199 -5.030 -28.632 1.00 51.41 H new ATOM 0 HZ1 LYS A 147 3.853 -5.173 -28.104 1.00 2.13 H new ATOM 0 HZ2 LYS A 147 4.694 -6.448 -27.361 1.00 2.13 H new ATOM 0 HZ3 LYS A 147 4.185 -5.116 -26.439 1.00 2.13 H new ATOM 497 N ALA A 148 6.634 -0.085 -26.738 1.00 42.33 N ATOM 498 CA ALA A 148 6.173 0.702 -27.875 1.00 52.22 C ATOM 499 C ALA A 148 6.968 1.997 -28.005 1.00 54.14 C ATOM 500 O ALA A 148 7.168 2.508 -29.108 1.00 75.52 O ATOM 501 CB ALA A 148 4.688 1.004 -27.741 1.00 35.44 C ATOM 0 H ALA A 148 6.013 -0.062 -25.929 1.00 42.33 H new ATOM 0 HA ALA A 148 6.333 0.115 -28.780 1.00 52.22 H new ATOM 0 HB1 ALA A 148 4.358 1.592 -28.597 1.00 35.44 H new ATOM 0 HB2 ALA A 148 4.128 0.069 -27.705 1.00 35.44 H new ATOM 0 HB3 ALA A 148 4.512 1.567 -26.824 1.00 35.44 H new ATOM 507 N THR A 149 7.419 2.526 -26.872 1.00 71.40 N ATOM 508 CA THR A 149 8.190 3.762 -26.859 1.00 42.13 C ATOM 509 C THR A 149 9.649 3.504 -27.219 1.00 51.01 C ATOM 510 O THR A 149 10.256 4.263 -27.976 1.00 33.41 O ATOM 511 CB THR A 149 8.127 4.450 -25.482 1.00 71.43 C ATOM 512 OG1 THR A 149 8.749 3.623 -24.493 1.00 22.52 O ATOM 513 CG2 THR A 149 6.686 4.730 -25.083 1.00 70.31 C ATOM 0 H THR A 149 7.263 2.117 -25.951 1.00 71.40 H new ATOM 0 HA THR A 149 7.745 4.419 -27.606 1.00 42.13 H new ATOM 0 HB THR A 149 8.660 5.399 -25.549 1.00 71.43 H new ATOM 0 HG1 THR A 149 8.706 4.068 -23.621 1.00 22.52 H new ATOM 0 HG21 THR A 149 6.666 5.216 -24.108 1.00 70.31 H new ATOM 0 HG22 THR A 149 6.224 5.383 -25.823 1.00 70.31 H new ATOM 0 HG23 THR A 149 6.134 3.792 -25.032 1.00 70.31 H new ATOM 521 N HIS A 150 10.207 2.428 -26.673 1.00 0.42 N ATOM 522 CA HIS A 150 11.596 2.070 -26.938 1.00 33.51 C ATOM 523 C HIS A 150 11.677 0.846 -27.846 1.00 12.11 C ATOM 524 O HIS A 150 11.714 -0.296 -27.388 1.00 2.05 O ATOM 525 CB HIS A 150 12.333 1.796 -25.627 1.00 20.22 C ATOM 526 CG HIS A 150 12.427 2.993 -24.731 1.00 63.34 C ATOM 527 ND1 HIS A 150 13.222 3.029 -23.605 1.00 51.41 N ATOM 528 CD2 HIS A 150 11.822 4.201 -24.803 1.00 1.44 C ATOM 529 CE1 HIS A 150 13.100 4.208 -23.021 1.00 41.12 C ATOM 530 NE2 HIS A 150 12.257 4.938 -23.728 1.00 54.24 N ATOM 0 H HIS A 150 9.719 1.789 -26.045 1.00 0.42 H new ATOM 0 HA HIS A 150 12.072 2.909 -27.445 1.00 33.51 H new ATOM 0 HB2 HIS A 150 11.824 0.993 -25.094 1.00 20.22 H new ATOM 0 HB3 HIS A 150 13.339 1.441 -25.852 1.00 20.22 H new ATOM 0 HD2 HIS A 150 11.127 4.525 -25.563 1.00 1.44 H new ATOM 0 HE1 HIS A 150 13.604 4.521 -22.119 1.00 41.12 H new ATOM 0 HE2 HIS A 150 11.975 5.894 -23.511 1.00 54.24 H new ATOM 664 N HIS A 159 18.291 4.739 -25.811 1.00 10.13 N ATOM 665 CA HIS A 159 17.688 5.536 -24.748 1.00 74.41 C ATOM 666 C HIS A 159 18.383 5.278 -23.415 1.00 11.14 C ATOM 667 O HIS A 159 18.766 4.148 -23.111 1.00 52.13 O ATOM 668 CB HIS A 159 16.197 5.219 -24.629 1.00 14.14 C ATOM 669 CG HIS A 159 15.333 6.060 -25.518 1.00 33.34 C ATOM 670 ND1 HIS A 159 14.141 6.615 -25.102 1.00 74.44 N ATOM 671 CD2 HIS A 159 15.495 6.441 -26.806 1.00 73.43 C ATOM 672 CE1 HIS A 159 13.606 7.299 -26.098 1.00 12.02 C ATOM 673 NE2 HIS A 159 14.408 7.210 -27.143 1.00 62.23 N ATOM 0 HA HIS A 159 17.809 6.589 -25.003 1.00 74.41 H new ATOM 0 HB2 HIS A 159 16.037 4.168 -24.869 1.00 14.14 H new ATOM 0 HB3 HIS A 159 15.885 5.360 -23.594 1.00 14.14 H new ATOM 0 HD1 HIS A 159 13.736 6.513 -24.171 1.00 74.44 H new ATOM 0 HD2 HIS A 159 16.325 6.188 -27.449 1.00 73.43 H new ATOM 0 HE1 HIS A 159 12.671 7.839 -26.063 1.00 12.02 H new ATOM 680 N ARG A 160 18.543 6.333 -22.623 1.00 1.42 N ATOM 681 CA ARG A 160 19.194 6.222 -21.323 1.00 70.41 C ATOM 682 C ARG A 160 18.162 6.170 -20.201 1.00 35.03 C ATOM 683 O ARG A 160 17.171 6.902 -20.220 1.00 33.43 O ATOM 684 CB ARG A 160 20.145 7.399 -21.102 1.00 52.51 C ATOM 685 CG ARG A 160 21.520 7.196 -21.717 1.00 53.14 C ATOM 686 CD ARG A 160 22.115 8.510 -22.197 1.00 3.51 C ATOM 687 NE ARG A 160 22.560 9.348 -21.086 1.00 21.51 N ATOM 688 CZ ARG A 160 22.770 10.655 -21.189 1.00 52.20 C ATOM 689 NH1 ARG A 160 22.576 11.272 -22.347 1.00 32.24 N ATOM 690 NH2 ARG A 160 23.174 11.349 -20.133 1.00 21.24 N ATOM 0 H ARG A 160 18.231 7.275 -22.859 1.00 1.42 H new ATOM 0 HA ARG A 160 19.767 5.295 -21.310 1.00 70.41 H new ATOM 0 HB2 ARG A 160 19.698 8.300 -21.522 1.00 52.51 H new ATOM 0 HB3 ARG A 160 20.257 7.568 -20.031 1.00 52.51 H new ATOM 0 HG2 ARG A 160 22.185 6.741 -20.983 1.00 53.14 H new ATOM 0 HG3 ARG A 160 21.447 6.501 -22.554 1.00 53.14 H new ATOM 0 HD2 ARG A 160 22.958 8.306 -22.858 1.00 3.51 H new ATOM 0 HD3 ARG A 160 21.373 9.051 -22.784 1.00 3.51 H new ATOM 0 HE ARG A 160 22.718 8.904 -20.181 1.00 21.51 H new ATOM 0 HH11 ARG A 160 22.265 10.742 -23.161 1.00 32.24 H new ATOM 0 HH12 ARG A 160 22.738 12.276 -22.423 1.00 32.24 H new ATOM 0 HH21 ARG A 160 23.324 10.879 -19.240 1.00 21.24 H new ATOM 0 HH22 ARG A 160 23.335 12.353 -20.214 1.00 21.24 H new ATOM 704 N LEU A 161 18.400 5.301 -19.225 1.00 33.04 N ATOM 705 CA LEU A 161 17.491 5.153 -18.093 1.00 75.13 C ATOM 706 C LEU A 161 18.264 4.903 -16.803 1.00 34.45 C ATOM 707 O LEU A 161 19.488 5.031 -16.766 1.00 12.01 O ATOM 708 CB LEU A 161 16.513 4.004 -18.347 1.00 13.25 C ATOM 709 CG LEU A 161 15.812 4.007 -19.705 1.00 74.34 C ATOM 710 CD1 LEU A 161 16.670 3.311 -20.750 1.00 61.32 C ATOM 711 CD2 LEU A 161 14.448 3.340 -19.603 1.00 74.11 C ATOM 0 H LEU A 161 19.215 4.688 -19.194 1.00 33.04 H new ATOM 0 HA LEU A 161 16.931 6.082 -17.984 1.00 75.13 H new ATOM 0 HB2 LEU A 161 17.054 3.063 -18.242 1.00 13.25 H new ATOM 0 HB3 LEU A 161 15.751 4.023 -17.567 1.00 13.25 H new ATOM 0 HG LEU A 161 15.666 5.042 -20.014 1.00 74.34 H new ATOM 0 HD11 LEU A 161 16.155 3.323 -21.710 1.00 61.32 H new ATOM 0 HD12 LEU A 161 17.623 3.831 -20.843 1.00 61.32 H new ATOM 0 HD13 LEU A 161 16.848 2.279 -20.446 1.00 61.32 H new ATOM 0 HD21 LEU A 161 13.964 3.351 -20.579 1.00 74.11 H new ATOM 0 HD22 LEU A 161 14.571 2.309 -19.271 1.00 74.11 H new ATOM 0 HD23 LEU A 161 13.831 3.881 -18.886 1.00 74.11 H new ATOM 723 N ILE A 162 17.541 4.543 -15.747 1.00 25.03 N ATOM 724 CA ILE A 162 18.160 4.271 -14.455 1.00 43.33 C ATOM 725 C ILE A 162 18.078 2.789 -14.107 1.00 55.00 C ATOM 726 O ILE A 162 17.026 2.166 -14.251 1.00 23.12 O ATOM 727 CB ILE A 162 17.498 5.089 -13.331 1.00 3.14 C ATOM 728 CG1 ILE A 162 17.443 6.570 -13.712 1.00 23.14 C ATOM 729 CG2 ILE A 162 18.254 4.901 -12.024 1.00 34.44 C ATOM 730 CD1 ILE A 162 16.036 7.112 -13.830 1.00 31.41 C ATOM 0 H ILE A 162 16.527 4.433 -15.761 1.00 25.03 H new ATOM 0 HA ILE A 162 19.207 4.564 -14.538 1.00 43.33 H new ATOM 0 HB ILE A 162 16.478 4.731 -13.194 1.00 3.14 H new ATOM 0 HG12 ILE A 162 17.985 7.149 -12.965 1.00 23.14 H new ATOM 0 HG13 ILE A 162 17.959 6.712 -14.662 1.00 23.14 H new ATOM 0 HG21 ILE A 162 17.774 5.485 -11.239 1.00 34.44 H new ATOM 0 HG22 ILE A 162 18.246 3.847 -11.748 1.00 34.44 H new ATOM 0 HG23 ILE A 162 19.284 5.236 -12.148 1.00 34.44 H new ATOM 0 HD11 ILE A 162 16.074 8.167 -14.102 1.00 31.41 H new ATOM 0 HD12 ILE A 162 15.496 6.558 -14.598 1.00 31.41 H new ATOM 0 HD13 ILE A 162 15.523 7.002 -12.875 1.00 31.41 H new ATOM 894 N LEU A 173 22.640 -4.080 -8.713 1.00 4.23 N ATOM 895 CA LEU A 173 22.873 -3.229 -9.875 1.00 74.40 C ATOM 896 C LEU A 173 23.516 -1.909 -9.464 1.00 13.23 C ATOM 897 O LEU A 173 23.434 -1.502 -8.305 1.00 41.22 O ATOM 898 CB LEU A 173 21.556 -2.962 -10.607 1.00 64.44 C ATOM 899 CG LEU A 173 21.380 -3.671 -11.951 1.00 22.01 C ATOM 900 CD1 LEU A 173 19.953 -3.517 -12.453 1.00 11.44 C ATOM 901 CD2 LEU A 173 22.368 -3.129 -12.973 1.00 65.23 C ATOM 0 HA LEU A 173 23.556 -3.750 -10.546 1.00 74.40 H new ATOM 0 HB2 LEU A 173 20.734 -3.255 -9.954 1.00 64.44 H new ATOM 0 HB3 LEU A 173 21.465 -1.888 -10.771 1.00 64.44 H new ATOM 0 HG LEU A 173 21.581 -4.733 -11.809 1.00 22.01 H new ATOM 0 HD11 LEU A 173 19.847 -4.028 -13.410 1.00 11.44 H new ATOM 0 HD12 LEU A 173 19.264 -3.954 -11.730 1.00 11.44 H new ATOM 0 HD13 LEU A 173 19.724 -2.459 -12.579 1.00 11.44 H new ATOM 0 HD21 LEU A 173 22.228 -3.645 -13.923 1.00 65.23 H new ATOM 0 HD22 LEU A 173 22.199 -2.061 -13.112 1.00 65.23 H new ATOM 0 HD23 LEU A 173 23.385 -3.292 -12.618 1.00 65.23 H new ATOM 913 N MET A 174 24.153 -1.244 -10.421 1.00 42.54 N ATOM 914 CA MET A 174 24.807 0.033 -10.159 1.00 3.21 C ATOM 915 C MET A 174 24.056 1.177 -10.833 1.00 5.32 C ATOM 916 O MET A 174 23.159 0.919 -11.633 1.00 34.22 O ATOM 917 CB MET A 174 26.256 -0.001 -10.650 1.00 52.01 C ATOM 918 CG MET A 174 27.270 0.359 -9.577 1.00 21.13 C ATOM 919 SD MET A 174 28.939 -0.185 -9.988 1.00 43.12 S ATOM 920 CE MET A 174 29.098 0.442 -11.658 1.00 55.15 C ATOM 0 H MET A 174 24.231 -1.568 -11.385 1.00 42.54 H new ATOM 0 HA MET A 174 24.800 0.202 -9.082 1.00 3.21 H new ATOM 0 HB2 MET A 174 26.479 -0.998 -11.029 1.00 52.01 H new ATOM 0 HB3 MET A 174 26.364 0.690 -11.486 1.00 52.01 H new ATOM 0 HG2 MET A 174 27.270 1.439 -9.430 1.00 21.13 H new ATOM 0 HG3 MET A 174 26.968 -0.091 -8.631 1.00 21.13 H new ATOM 0 HE1 MET A 174 30.147 0.426 -11.954 1.00 55.15 H new ATOM 0 HE2 MET A 174 28.519 -0.183 -12.338 1.00 55.15 H new ATOM 0 HE3 MET A 174 28.725 1.465 -11.699 1.00 55.15 H new ATOM 930 N CYS A 175 24.435 2.403 -10.499 1.00 73.44 N ATOM 931 CA CYS A 175 23.790 3.569 -11.079 1.00 35.45 C ATOM 932 C CYS A 175 24.346 3.775 -12.488 1.00 45.15 C ATOM 933 O CYS A 175 25.206 3.033 -12.967 1.00 15.12 O ATOM 934 CB CYS A 175 23.975 4.810 -10.204 1.00 51.41 C ATOM 935 SG CYS A 175 22.378 5.682 -10.008 1.00 34.33 S ATOM 0 H CYS A 175 25.180 2.613 -9.835 1.00 73.44 H new ATOM 0 HA CYS A 175 22.714 3.403 -11.136 1.00 35.45 H new ATOM 0 HB2 CYS A 175 24.363 4.522 -9.227 1.00 51.41 H new ATOM 0 HB3 CYS A 175 24.710 5.477 -10.655 1.00 51.41 H new ATOM 0 HG CYS A 175 22.388 6.362 -8.900 1.00 34.33 H new ATOM 940 N LEU A 176 23.835 4.808 -13.149 1.00 14.04 N ATOM 941 CA LEU A 176 24.262 5.138 -14.504 1.00 20.41 C ATOM 942 C LEU A 176 25.759 5.427 -14.548 1.00 0.04 C ATOM 943 O LEU A 176 26.515 4.734 -15.228 1.00 32.25 O ATOM 944 CB LEU A 176 23.482 6.345 -15.026 1.00 41.42 C ATOM 945 CG LEU A 176 22.043 6.076 -15.466 1.00 35.24 C ATOM 946 CD1 LEU A 176 21.075 6.353 -14.325 1.00 65.20 C ATOM 947 CD2 LEU A 176 21.690 6.918 -16.683 1.00 12.22 C ATOM 0 H LEU A 176 23.124 5.432 -12.768 1.00 14.04 H new ATOM 0 HA LEU A 176 24.058 4.278 -15.142 1.00 20.41 H new ATOM 0 HB2 LEU A 176 23.466 7.106 -14.246 1.00 41.42 H new ATOM 0 HB3 LEU A 176 24.026 6.766 -15.871 1.00 41.42 H new ATOM 0 HG LEU A 176 21.959 5.024 -15.740 1.00 35.24 H new ATOM 0 HD11 LEU A 176 20.056 6.156 -14.657 1.00 65.20 H new ATOM 0 HD12 LEU A 176 21.313 5.706 -13.481 1.00 65.20 H new ATOM 0 HD13 LEU A 176 21.162 7.396 -14.019 1.00 65.20 H new ATOM 0 HD21 LEU A 176 20.662 6.713 -16.982 1.00 12.22 H new ATOM 0 HD22 LEU A 176 21.792 7.975 -16.436 1.00 12.22 H new ATOM 0 HD23 LEU A 176 22.363 6.670 -17.504 1.00 12.22 H new ATOM 959 N GLU A 177 26.180 6.454 -13.816 1.00 13.12 N ATOM 960 CA GLU A 177 27.587 6.833 -13.771 1.00 11.53 C ATOM 961 C GLU A 177 28.046 7.049 -12.332 1.00 25.24 C ATOM 962 O GLU A 177 28.640 8.077 -12.005 1.00 0.12 O ATOM 963 CB GLU A 177 27.822 8.105 -14.588 1.00 53.33 C ATOM 964 CG GLU A 177 27.963 7.853 -16.080 1.00 32.40 C ATOM 965 CD GLU A 177 27.637 9.077 -16.913 1.00 10.45 C ATOM 966 OE1 GLU A 177 27.723 10.201 -16.375 1.00 12.01 O ATOM 967 OE2 GLU A 177 27.296 8.911 -18.103 1.00 2.44 O ATOM 0 H GLU A 177 25.567 7.038 -13.247 1.00 13.12 H new ATOM 0 HA GLU A 177 28.170 6.019 -14.203 1.00 11.53 H new ATOM 0 HB2 GLU A 177 26.993 8.792 -14.421 1.00 53.33 H new ATOM 0 HB3 GLU A 177 28.723 8.599 -14.225 1.00 53.33 H new ATOM 0 HG2 GLU A 177 28.982 7.533 -16.296 1.00 32.40 H new ATOM 0 HG3 GLU A 177 27.304 7.035 -16.370 1.00 32.40 H new ATOM 974 N HIS A 178 27.767 6.072 -11.475 1.00 22.52 N ATOM 975 CA HIS A 178 28.151 6.153 -10.070 1.00 45.21 C ATOM 976 C HIS A 178 28.654 4.804 -9.565 1.00 44.22 C ATOM 977 O HIS A 178 27.921 4.064 -8.911 1.00 21.03 O ATOM 978 CB HIS A 178 26.968 6.619 -9.222 1.00 53.30 C ATOM 979 CG HIS A 178 26.481 7.991 -9.575 1.00 71.15 C ATOM 980 ND1 HIS A 178 25.149 8.289 -9.773 1.00 62.03 N ATOM 981 CD2 HIS A 178 27.156 9.149 -9.765 1.00 22.42 C ATOM 982 CE1 HIS A 178 25.027 9.570 -10.071 1.00 14.33 C ATOM 983 NE2 HIS A 178 26.230 10.115 -10.072 1.00 31.24 N ATOM 0 H HIS A 178 27.276 5.215 -11.729 1.00 22.52 H new ATOM 0 HA HIS A 178 28.960 6.878 -9.982 1.00 45.21 H new ATOM 0 HB2 HIS A 178 26.148 5.911 -9.337 1.00 53.30 H new ATOM 0 HB3 HIS A 178 27.257 6.604 -8.171 1.00 53.30 H new ATOM 0 HD2 HIS A 178 28.224 9.287 -9.689 1.00 22.42 H new ATOM 0 HE1 HIS A 178 24.100 10.085 -10.279 1.00 14.33 H new ATOM 0 HE2 HIS A 178 26.437 11.094 -10.269 1.00 31.24 H new ATOM 990 N GLU A 179 29.909 4.492 -9.875 1.00 1.12 N ATOM 991 CA GLU A 179 30.508 3.231 -9.453 1.00 41.31 C ATOM 992 C GLU A 179 30.949 3.300 -7.994 1.00 32.53 C ATOM 993 O GLU A 179 30.909 2.301 -7.275 1.00 22.21 O ATOM 994 CB GLU A 179 31.704 2.887 -10.343 1.00 24.21 C ATOM 995 CG GLU A 179 32.733 4.001 -10.439 1.00 13.24 C ATOM 996 CD GLU A 179 34.034 3.542 -11.067 1.00 60.21 C ATOM 997 OE1 GLU A 179 34.158 3.629 -12.306 1.00 43.15 O ATOM 998 OE2 GLU A 179 34.928 3.095 -10.319 1.00 4.05 O ATOM 0 H GLU A 179 30.530 5.094 -10.416 1.00 1.12 H new ATOM 0 HA GLU A 179 29.755 2.449 -9.550 1.00 41.31 H new ATOM 0 HB2 GLU A 179 32.187 1.990 -9.956 1.00 24.21 H new ATOM 0 HB3 GLU A 179 31.344 2.649 -11.344 1.00 24.21 H new ATOM 0 HG2 GLU A 179 32.321 4.822 -11.026 1.00 13.24 H new ATOM 0 HG3 GLU A 179 32.934 4.392 -9.441 1.00 13.24 H new ATOM 1005 N ASP A 180 31.369 4.484 -7.564 1.00 13.14 N ATOM 1006 CA ASP A 180 31.817 4.684 -6.190 1.00 54.12 C ATOM 1007 C ASP A 180 30.644 4.600 -5.218 1.00 53.14 C ATOM 1008 O ASP A 180 30.827 4.330 -4.032 1.00 61.41 O ATOM 1009 CB ASP A 180 32.515 6.038 -6.051 1.00 35.12 C ATOM 1010 CG ASP A 180 32.876 6.358 -4.614 1.00 22.53 C ATOM 1011 OD1 ASP A 180 33.666 5.596 -4.017 1.00 32.33 O ATOM 1012 OD2 ASP A 180 32.370 7.370 -4.086 1.00 65.12 O ATOM 0 H ASP A 180 31.409 5.320 -8.146 1.00 13.14 H new ATOM 0 HA ASP A 180 32.525 3.892 -5.946 1.00 54.12 H new ATOM 0 HB2 ASP A 180 33.420 6.041 -6.659 1.00 35.12 H new ATOM 0 HB3 ASP A 180 31.865 6.821 -6.442 1.00 35.12 H new ATOM 1017 N GLU A 181 29.439 4.835 -5.730 1.00 65.13 N ATOM 1018 CA GLU A 181 28.237 4.788 -4.906 1.00 64.53 C ATOM 1019 C GLU A 181 27.168 3.912 -5.554 1.00 22.14 C ATOM 1020 O GLU A 181 26.668 4.220 -6.636 1.00 11.35 O ATOM 1021 CB GLU A 181 27.690 6.199 -4.682 1.00 73.44 C ATOM 1022 CG GLU A 181 27.462 6.538 -3.219 1.00 4.11 C ATOM 1023 CD GLU A 181 26.264 5.818 -2.632 1.00 60.42 C ATOM 1024 OE1 GLU A 181 26.069 4.628 -2.957 1.00 73.01 O ATOM 1025 OE2 GLU A 181 25.522 6.444 -1.848 1.00 15.45 O ATOM 0 H GLU A 181 29.270 5.060 -6.711 1.00 65.13 H new ATOM 0 HA GLU A 181 28.504 4.353 -3.943 1.00 64.53 H new ATOM 0 HB2 GLU A 181 28.385 6.921 -5.109 1.00 73.44 H new ATOM 0 HB3 GLU A 181 26.749 6.305 -5.222 1.00 73.44 H new ATOM 0 HG2 GLU A 181 28.353 6.279 -2.647 1.00 4.11 H new ATOM 0 HG3 GLU A 181 27.320 7.614 -3.117 1.00 4.11 H new ATOM 1032 N LYS A 182 26.823 2.818 -4.884 1.00 31.32 N ATOM 1033 CA LYS A 182 25.813 1.896 -5.391 1.00 42.21 C ATOM 1034 C LYS A 182 24.410 2.383 -5.046 1.00 34.04 C ATOM 1035 O LYS A 182 24.242 3.342 -4.292 1.00 22.34 O ATOM 1036 CB LYS A 182 26.035 0.496 -4.815 1.00 3.04 C ATOM 1037 CG LYS A 182 26.443 -0.533 -5.855 1.00 52.42 C ATOM 1038 CD LYS A 182 27.110 -1.739 -5.216 1.00 15.15 C ATOM 1039 CE LYS A 182 26.600 -3.041 -5.815 1.00 42.43 C ATOM 1040 NZ LYS A 182 26.826 -4.197 -4.904 1.00 53.33 N ATOM 0 H LYS A 182 27.228 2.548 -3.988 1.00 31.32 H new ATOM 0 HA LYS A 182 25.907 1.854 -6.476 1.00 42.21 H new ATOM 0 HB2 LYS A 182 26.805 0.547 -4.045 1.00 3.04 H new ATOM 0 HB3 LYS A 182 25.119 0.164 -4.327 1.00 3.04 H new ATOM 0 HG2 LYS A 182 25.564 -0.856 -6.413 1.00 52.42 H new ATOM 0 HG3 LYS A 182 27.125 -0.076 -6.572 1.00 52.42 H new ATOM 0 HD2 LYS A 182 28.190 -1.673 -5.352 1.00 15.15 H new ATOM 0 HD3 LYS A 182 26.923 -1.733 -4.142 1.00 15.15 H new ATOM 0 HE2 LYS A 182 25.535 -2.950 -6.029 1.00 42.43 H new ATOM 0 HE3 LYS A 182 27.101 -3.224 -6.765 1.00 42.43 H new ATOM 0 HZ1 LYS A 182 26.465 -5.065 -5.348 1.00 53.33 H new ATOM 0 HZ2 LYS A 182 27.844 -4.300 -4.720 1.00 53.33 H new ATOM 0 HZ3 LYS A 182 26.327 -4.034 -4.006 1.00 53.33 H new ATOM 1054 N VAL A 183 23.403 1.715 -5.601 1.00 1.24 N ATOM 1055 CA VAL A 183 22.014 2.078 -5.349 1.00 14.41 C ATOM 1056 C VAL A 183 21.536 1.530 -4.009 1.00 24.11 C ATOM 1057 O VAL A 183 21.559 0.322 -3.778 1.00 22.13 O ATOM 1058 CB VAL A 183 21.087 1.558 -6.464 1.00 13.04 C ATOM 1059 CG1 VAL A 183 21.352 2.296 -7.767 1.00 10.32 C ATOM 1060 CG2 VAL A 183 21.263 0.058 -6.646 1.00 11.15 C ATOM 0 H VAL A 183 23.524 0.920 -6.228 1.00 1.24 H new ATOM 0 HA VAL A 183 21.971 3.167 -5.329 1.00 14.41 H new ATOM 0 HB VAL A 183 20.054 1.747 -6.171 1.00 13.04 H new ATOM 0 HG11 VAL A 183 20.688 1.915 -8.543 1.00 10.32 H new ATOM 0 HG12 VAL A 183 21.171 3.361 -7.625 1.00 10.32 H new ATOM 0 HG13 VAL A 183 22.388 2.141 -8.068 1.00 10.32 H new ATOM 0 HG21 VAL A 183 20.601 -0.293 -7.437 1.00 11.15 H new ATOM 0 HG22 VAL A 183 22.297 -0.157 -6.916 1.00 11.15 H new ATOM 0 HG23 VAL A 183 21.018 -0.453 -5.715 1.00 11.15 H new ATOM 1070 N ASN A 184 21.104 2.427 -3.129 1.00 13.02 N ATOM 1071 CA ASN A 184 20.620 2.033 -1.810 1.00 64.15 C ATOM 1072 C ASN A 184 19.338 2.780 -1.455 1.00 63.14 C ATOM 1073 O ASN A 184 18.991 2.914 -0.283 1.00 11.25 O ATOM 1074 CB ASN A 184 21.691 2.302 -0.751 1.00 33.33 C ATOM 1075 CG ASN A 184 21.987 3.780 -0.590 1.00 52.31 C ATOM 1076 OD1 ASN A 184 22.446 4.438 -1.524 1.00 63.31 O ATOM 1077 ND2 ASN A 184 21.724 4.310 0.599 1.00 45.42 N ATOM 0 H ASN A 184 21.079 3.431 -3.305 1.00 13.02 H new ATOM 0 HA ASN A 184 20.402 0.965 -1.834 1.00 64.15 H new ATOM 0 HB2 ASN A 184 21.363 1.894 0.205 1.00 33.33 H new ATOM 0 HB3 ASN A 184 22.607 1.778 -1.024 1.00 33.33 H new ATOM 0 HD21 ASN A 184 21.902 5.300 0.767 1.00 45.42 H new ATOM 0 HD22 ASN A 184 21.344 3.727 1.345 1.00 45.42 H new ATOM 1084 N MET A 185 18.639 3.263 -2.477 1.00 43.32 N ATOM 1085 CA MET A 185 17.395 3.995 -2.273 1.00 14.11 C ATOM 1086 C MET A 185 16.336 3.559 -3.281 1.00 31.02 C ATOM 1087 O MET A 185 16.616 2.779 -4.191 1.00 71.31 O ATOM 1088 CB MET A 185 17.638 5.501 -2.391 1.00 20.23 C ATOM 1089 CG MET A 185 17.901 6.180 -1.057 1.00 4.14 C ATOM 1090 SD MET A 185 17.723 7.972 -1.142 1.00 41.35 S ATOM 1091 CE MET A 185 18.546 8.467 0.370 1.00 51.24 C ATOM 0 H MET A 185 18.913 3.161 -3.454 1.00 43.32 H new ATOM 0 HA MET A 185 17.032 3.771 -1.270 1.00 14.11 H new ATOM 0 HB2 MET A 185 18.488 5.673 -3.051 1.00 20.23 H new ATOM 0 HB3 MET A 185 16.771 5.965 -2.861 1.00 20.23 H new ATOM 0 HG2 MET A 185 17.211 5.785 -0.311 1.00 4.14 H new ATOM 0 HG3 MET A 185 18.909 5.934 -0.721 1.00 4.14 H new ATOM 0 HE1 MET A 185 18.011 9.304 0.818 1.00 51.24 H new ATOM 0 HE2 MET A 185 18.560 7.630 1.068 1.00 51.24 H new ATOM 0 HE3 MET A 185 19.569 8.769 0.145 1.00 51.24 H new ATOM 1101 N TYR A 186 15.120 4.067 -3.112 1.00 62.10 N ATOM 1102 CA TYR A 186 14.019 3.727 -4.006 1.00 2.34 C ATOM 1103 C TYR A 186 13.138 4.944 -4.271 1.00 34.14 C ATOM 1104 O TYR A 186 12.790 5.654 -3.328 1.00 41.23 O ATOM 1105 CB TYR A 186 13.180 2.596 -3.408 1.00 44.15 C ATOM 1106 CG TYR A 186 11.906 2.318 -4.174 1.00 4.02 C ATOM 1107 CD1 TYR A 186 11.915 1.514 -5.307 1.00 43.23 C ATOM 1108 CD2 TYR A 186 10.694 2.860 -3.765 1.00 23.45 C ATOM 1109 CE1 TYR A 186 10.754 1.258 -6.010 1.00 60.32 C ATOM 1110 CE2 TYR A 186 9.528 2.607 -4.460 1.00 51.44 C ATOM 1111 CZ TYR A 186 9.563 1.806 -5.583 1.00 11.24 C ATOM 1112 OH TYR A 186 8.403 1.554 -6.279 1.00 64.34 O ATOM 0 H TYR A 186 14.872 4.715 -2.365 1.00 62.10 H new ATOM 0 HA TYR A 186 14.442 3.394 -4.954 1.00 2.34 H new ATOM 0 HB2 TYR A 186 13.781 1.687 -3.376 1.00 44.15 H new ATOM 0 HB3 TYR A 186 12.927 2.848 -2.378 1.00 44.15 H new ATOM 0 HD1 TYR A 186 12.846 1.082 -5.644 1.00 43.23 H new ATOM 0 HD2 TYR A 186 10.663 3.490 -2.888 1.00 23.45 H new ATOM 0 HE1 TYR A 186 10.779 0.632 -6.890 1.00 60.32 H new ATOM 0 HE2 TYR A 186 8.594 3.034 -4.126 1.00 51.44 H new ATOM 0 HH TYR A 186 8.603 0.991 -7.056 1.00 64.34 H new ATOM 1122 N CYS A 187 12.799 5.155 -5.534 1.00 34.40 N ATOM 1123 CA CYS A 187 11.961 6.282 -5.906 1.00 43.31 C ATOM 1124 C CYS A 187 10.557 5.757 -6.213 1.00 44.45 C ATOM 1125 O CYS A 187 10.372 4.750 -6.897 1.00 13.42 O ATOM 1126 CB CYS A 187 12.551 7.060 -7.085 1.00 34.13 C ATOM 1127 SG CYS A 187 11.490 8.498 -7.479 1.00 11.13 S ATOM 0 H CYS A 187 13.090 4.564 -6.313 1.00 34.40 H new ATOM 0 HA CYS A 187 11.909 6.989 -5.078 1.00 43.31 H new ATOM 0 HB2 CYS A 187 13.559 7.397 -6.841 1.00 34.13 H new ATOM 0 HB3 CYS A 187 12.634 6.409 -7.956 1.00 34.13 H new ATOM 0 HG CYS A 187 11.863 9.015 -8.612 1.00 11.13 H new ATOM 1132 N VAL A 188 9.564 6.469 -5.689 1.00 24.31 N ATOM 1133 CA VAL A 188 8.169 6.099 -5.892 1.00 32.31 C ATOM 1134 C VAL A 188 7.652 6.616 -7.230 1.00 22.32 C ATOM 1135 O VAL A 188 7.105 5.858 -8.032 1.00 12.21 O ATOM 1136 CB VAL A 188 7.274 6.644 -4.763 1.00 72.11 C ATOM 1137 CG1 VAL A 188 5.819 6.276 -5.010 1.00 53.24 C ATOM 1138 CG2 VAL A 188 7.742 6.122 -3.413 1.00 62.12 C ATOM 0 H VAL A 188 9.700 7.305 -5.121 1.00 24.31 H new ATOM 0 HA VAL A 188 8.126 5.010 -5.886 1.00 32.31 H new ATOM 0 HB VAL A 188 7.353 7.731 -4.754 1.00 72.11 H new ATOM 0 HG11 VAL A 188 5.202 6.669 -4.202 1.00 53.24 H new ATOM 0 HG12 VAL A 188 5.492 6.703 -5.958 1.00 53.24 H new ATOM 0 HG13 VAL A 188 5.719 5.191 -5.047 1.00 53.24 H new ATOM 0 HG21 VAL A 188 7.098 6.517 -2.627 1.00 62.12 H new ATOM 0 HG22 VAL A 188 7.695 5.033 -3.408 1.00 62.12 H new ATOM 0 HG23 VAL A 188 8.769 6.441 -3.236 1.00 62.12 H new ATOM 1148 N THR A 189 7.830 7.912 -7.466 1.00 31.12 N ATOM 1149 CA THR A 189 7.381 8.531 -8.706 1.00 45.54 C ATOM 1150 C THR A 189 7.896 7.766 -9.920 1.00 52.33 C ATOM 1151 O THR A 189 7.250 7.740 -10.968 1.00 64.25 O ATOM 1152 CB THR A 189 7.846 9.997 -8.803 1.00 24.23 C ATOM 1153 OG1 THR A 189 7.548 10.687 -7.584 1.00 33.41 O ATOM 1154 CG2 THR A 189 7.172 10.703 -9.969 1.00 63.13 C ATOM 0 H THR A 189 8.282 8.553 -6.814 1.00 31.12 H new ATOM 0 HA THR A 189 6.291 8.503 -8.697 1.00 45.54 H new ATOM 0 HB THR A 189 8.923 10.003 -8.970 1.00 24.23 H new ATOM 0 HG1 THR A 189 7.848 11.617 -7.653 1.00 33.41 H new ATOM 0 HG21 THR A 189 7.516 11.736 -10.017 1.00 63.13 H new ATOM 0 HG22 THR A 189 7.425 10.193 -10.899 1.00 63.13 H new ATOM 0 HG23 THR A 189 6.091 10.687 -9.829 1.00 63.13 H new ATOM 1162 N ASP A 190 9.060 7.144 -9.772 1.00 2.40 N ATOM 1163 CA ASP A 190 9.661 6.376 -10.857 1.00 15.44 C ATOM 1164 C ASP A 190 9.458 4.880 -10.640 1.00 13.01 C ATOM 1165 O ASP A 190 9.503 4.094 -11.586 1.00 65.12 O ATOM 1166 CB ASP A 190 11.153 6.691 -10.967 1.00 63.42 C ATOM 1167 CG ASP A 190 11.415 8.138 -11.335 1.00 74.25 C ATOM 1168 OD1 ASP A 190 10.470 8.812 -11.797 1.00 23.10 O ATOM 1169 OD2 ASP A 190 12.564 8.596 -11.163 1.00 54.20 O ATOM 0 H ASP A 190 9.607 7.156 -8.911 1.00 2.40 H new ATOM 0 HA ASP A 190 9.169 6.660 -11.787 1.00 15.44 H new ATOM 0 HB2 ASP A 190 11.639 6.467 -10.018 1.00 63.42 H new ATOM 0 HB3 ASP A 190 11.604 6.041 -11.717 1.00 63.42 H new ATOM 1174 N ASP A 191 9.235 4.494 -9.389 1.00 33.34 N ATOM 1175 CA ASP A 191 9.025 3.091 -9.047 1.00 50.52 C ATOM 1176 C ASP A 191 10.271 2.266 -9.351 1.00 24.02 C ATOM 1177 O ASP A 191 10.178 1.085 -9.685 1.00 3.21 O ATOM 1178 CB ASP A 191 7.827 2.531 -9.816 1.00 2.03 C ATOM 1179 CG ASP A 191 7.076 1.476 -9.028 1.00 11.24 C ATOM 1180 OD1 ASP A 191 7.713 0.493 -8.596 1.00 31.02 O ATOM 1181 OD2 ASP A 191 5.851 1.633 -8.843 1.00 55.44 O ATOM 0 H ASP A 191 9.195 5.132 -8.594 1.00 33.34 H new ATOM 0 HA ASP A 191 8.822 3.029 -7.978 1.00 50.52 H new ATOM 0 HB2 ASP A 191 7.147 3.345 -10.067 1.00 2.03 H new ATOM 0 HB3 ASP A 191 8.171 2.101 -10.757 1.00 2.03 H new ATOM 1186 N GLN A 192 11.436 2.896 -9.233 1.00 54.22 N ATOM 1187 CA GLN A 192 12.700 2.220 -9.497 1.00 60.30 C ATOM 1188 C GLN A 192 13.692 2.457 -8.363 1.00 15.32 C ATOM 1189 O GLN A 192 13.402 3.188 -7.414 1.00 23.40 O ATOM 1190 CB GLN A 192 13.295 2.704 -10.820 1.00 62.14 C ATOM 1191 CG GLN A 192 13.031 1.764 -11.986 1.00 5.31 C ATOM 1192 CD GLN A 192 14.233 1.615 -12.899 1.00 14.32 C ATOM 1193 OE1 GLN A 192 15.079 0.744 -12.693 1.00 53.54 O ATOM 1194 NE2 GLN A 192 14.314 2.467 -13.915 1.00 33.53 N ATOM 0 H GLN A 192 11.530 3.873 -8.956 1.00 54.22 H new ATOM 0 HA GLN A 192 12.503 1.150 -9.565 1.00 60.30 H new ATOM 0 HB2 GLN A 192 12.885 3.686 -11.056 1.00 62.14 H new ATOM 0 HB3 GLN A 192 14.371 2.828 -10.701 1.00 62.14 H new ATOM 0 HG2 GLN A 192 12.748 0.784 -11.601 1.00 5.31 H new ATOM 0 HG3 GLN A 192 12.185 2.136 -12.563 1.00 5.31 H new ATOM 0 HE21 GLN A 192 13.590 3.173 -14.048 1.00 33.53 H new ATOM 0 HE22 GLN A 192 15.100 2.415 -14.563 1.00 33.53 H new ATOM 1203 N LEU A 193 14.861 1.836 -8.466 1.00 41.15 N ATOM 1204 CA LEU A 193 15.896 1.979 -7.449 1.00 5.52 C ATOM 1205 C LEU A 193 16.874 3.091 -7.819 1.00 35.22 C ATOM 1206 O LEU A 193 17.080 3.382 -8.997 1.00 61.03 O ATOM 1207 CB LEU A 193 16.650 0.660 -7.271 1.00 4.43 C ATOM 1208 CG LEU A 193 15.932 -0.419 -6.460 1.00 41.01 C ATOM 1209 CD1 LEU A 193 16.389 -1.804 -6.892 1.00 50.33 C ATOM 1210 CD2 LEU A 193 16.173 -0.217 -4.971 1.00 52.52 C ATOM 0 H LEU A 193 15.116 1.228 -9.244 1.00 41.15 H new ATOM 0 HA LEU A 193 15.412 2.244 -6.509 1.00 5.52 H new ATOM 0 HB2 LEU A 193 16.873 0.256 -8.258 1.00 4.43 H new ATOM 0 HB3 LEU A 193 17.605 0.872 -6.790 1.00 4.43 H new ATOM 0 HG LEU A 193 14.862 -0.336 -6.649 1.00 41.01 H new ATOM 0 HD11 LEU A 193 15.867 -2.559 -6.304 1.00 50.33 H new ATOM 0 HD12 LEU A 193 16.164 -1.948 -7.949 1.00 50.33 H new ATOM 0 HD13 LEU A 193 17.463 -1.899 -6.733 1.00 50.33 H new ATOM 0 HD21 LEU A 193 15.654 -0.994 -4.410 1.00 52.52 H new ATOM 0 HD22 LEU A 193 17.242 -0.272 -4.765 1.00 52.52 H new ATOM 0 HD23 LEU A 193 15.796 0.761 -4.671 1.00 52.52 H new ATOM 1222 N ILE A 194 17.473 3.706 -6.805 1.00 50.22 N ATOM 1223 CA ILE A 194 18.431 4.783 -7.025 1.00 32.24 C ATOM 1224 C ILE A 194 19.483 4.816 -5.921 1.00 71.13 C ATOM 1225 O ILE A 194 19.427 3.991 -5.010 1.00 52.15 O ATOM 1226 CB ILE A 194 17.731 6.153 -7.093 1.00 4.33 C ATOM 1227 CG1 ILE A 194 17.088 6.489 -5.746 1.00 11.42 C ATOM 1228 CG2 ILE A 194 16.689 6.161 -8.201 1.00 12.43 C ATOM 1229 CD1 ILE A 194 16.417 7.845 -5.718 1.00 75.43 C ATOM 0 H ILE A 194 17.312 3.477 -5.824 1.00 50.22 H new ATOM 0 HA ILE A 194 18.916 4.584 -7.981 1.00 32.24 H new ATOM 0 HB ILE A 194 18.477 6.915 -7.318 1.00 4.33 H new ATOM 0 HG12 ILE A 194 16.351 5.723 -5.503 1.00 11.42 H new ATOM 0 HG13 ILE A 194 17.852 6.454 -4.969 1.00 11.42 H new ATOM 0 HG21 ILE A 194 16.203 7.136 -8.236 1.00 12.43 H new ATOM 0 HG22 ILE A 194 17.173 5.962 -9.157 1.00 12.43 H new ATOM 0 HG23 ILE A 194 15.943 5.391 -8.005 1.00 12.43 H new ATOM 0 HD11 ILE A 194 15.983 8.016 -4.733 1.00 75.43 H new ATOM 0 HD12 ILE A 194 17.154 8.620 -5.930 1.00 75.43 H new ATOM 0 HD13 ILE A 194 15.630 7.877 -6.472 1.00 75.43 H new ATOM 1241 N CYS A 195 20.408 5.759 -6.024 1.00 63.53 N ATOM 1242 CA CYS A 195 21.460 5.887 -5.030 1.00 31.42 C ATOM 1243 C CYS A 195 21.255 7.205 -4.282 1.00 4.44 C ATOM 1244 O CYS A 195 20.713 8.177 -4.808 1.00 34.54 O ATOM 1245 CB CYS A 195 22.850 5.799 -5.662 1.00 63.13 C ATOM 1246 SG CYS A 195 23.189 7.307 -6.642 1.00 14.11 S ATOM 0 H CYS A 195 20.451 6.442 -6.781 1.00 63.53 H new ATOM 0 HA CYS A 195 21.401 5.057 -4.325 1.00 31.42 H new ATOM 0 HB2 CYS A 195 23.605 5.683 -4.885 1.00 63.13 H new ATOM 0 HB3 CYS A 195 22.913 4.918 -6.301 1.00 63.13 H new ATOM 0 HG CYS A 195 24.373 7.222 -7.173 1.00 14.11 H new ATOM 1251 N ALA A 196 21.706 7.218 -3.032 1.00 23.35 N ATOM 1252 CA ALA A 196 21.588 8.401 -2.188 1.00 70.23 C ATOM 1253 C ALA A 196 22.263 9.606 -2.835 1.00 23.52 C ATOM 1254 O ALA A 196 21.856 10.748 -2.620 1.00 74.15 O ATOM 1255 CB ALA A 196 22.186 8.132 -0.815 1.00 54.21 C ATOM 0 H ALA A 196 22.157 6.422 -2.581 1.00 23.35 H new ATOM 0 HA ALA A 196 20.529 8.630 -2.072 1.00 70.23 H new ATOM 0 HB1 ALA A 196 22.091 9.024 -0.196 1.00 54.21 H new ATOM 0 HB2 ALA A 196 21.656 7.304 -0.343 1.00 54.21 H new ATOM 0 HB3 ALA A 196 23.240 7.875 -0.921 1.00 54.21 H new ATOM 1261 N LEU A 197 23.298 9.344 -3.626 1.00 32.20 N ATOM 1262 CA LEU A 197 24.031 10.407 -4.304 1.00 11.41 C ATOM 1263 C LEU A 197 23.163 11.076 -5.365 1.00 60.13 C ATOM 1264 O LEU A 197 23.446 12.210 -5.747 1.00 51.44 O ATOM 1265 CB LEU A 197 25.302 9.849 -4.946 1.00 31.32 C ATOM 1266 CG LEU A 197 26.320 10.882 -5.428 1.00 44.22 C ATOM 1267 CD1 LEU A 197 27.216 11.325 -4.281 1.00 53.04 C ATOM 1268 CD2 LEU A 197 27.153 10.318 -6.570 1.00 60.21 C ATOM 0 H LEU A 197 23.648 8.405 -3.813 1.00 32.20 H new ATOM 0 HA LEU A 197 24.306 11.156 -3.561 1.00 11.41 H new ATOM 0 HB2 LEU A 197 25.792 9.195 -4.225 1.00 31.32 H new ATOM 0 HB3 LEU A 197 25.014 9.229 -5.795 1.00 31.32 H new ATOM 0 HG LEU A 197 25.778 11.753 -5.796 1.00 44.22 H new ATOM 0 HD11 LEU A 197 27.934 12.060 -4.643 1.00 53.04 H new ATOM 0 HD12 LEU A 197 26.607 11.770 -3.494 1.00 53.04 H new ATOM 0 HD13 LEU A 197 27.750 10.462 -3.882 1.00 53.04 H new ATOM 0 HD21 LEU A 197 27.872 11.067 -6.900 1.00 60.21 H new ATOM 0 HD22 LEU A 197 27.685 9.430 -6.228 1.00 60.21 H new ATOM 0 HD23 LEU A 197 26.499 10.052 -7.400 1.00 60.21 H new ATOM 1280 N CYS A 198 22.136 10.368 -5.812 1.00 31.02 N ATOM 1281 CA CYS A 198 21.240 10.905 -6.822 1.00 33.43 C ATOM 1282 C CYS A 198 20.250 11.847 -6.134 1.00 31.11 C ATOM 1283 O CYS A 198 19.886 12.903 -6.651 1.00 10.42 O ATOM 1284 CB CYS A 198 20.527 9.793 -7.594 1.00 33.43 C ATOM 1285 SG CYS A 198 21.533 9.288 -9.036 1.00 61.34 S ATOM 0 H CYS A 198 21.905 9.427 -5.493 1.00 31.02 H new ATOM 0 HA CYS A 198 21.814 11.461 -7.563 1.00 33.43 H new ATOM 0 HB2 CYS A 198 20.357 8.937 -6.941 1.00 33.43 H new ATOM 0 HB3 CYS A 198 19.548 10.140 -7.926 1.00 33.43 H new ATOM 0 HG CYS A 198 22.437 8.434 -8.657 1.00 61.34 H new ATOM 1290 N LYS A 199 19.818 11.438 -4.946 1.00 5.15 N ATOM 1291 CA LYS A 199 18.873 12.224 -4.162 1.00 40.52 C ATOM 1292 C LYS A 199 19.550 13.455 -3.568 1.00 1.40 C ATOM 1293 O LYS A 199 18.897 14.461 -3.286 1.00 35.31 O ATOM 1294 CB LYS A 199 18.271 11.371 -3.044 1.00 23.52 C ATOM 1295 CG LYS A 199 16.934 11.885 -2.538 1.00 64.43 C ATOM 1296 CD LYS A 199 16.716 11.529 -1.077 1.00 64.43 C ATOM 1297 CE LYS A 199 16.022 12.655 -0.327 1.00 24.12 C ATOM 1298 NZ LYS A 199 16.487 12.749 1.085 1.00 14.30 N ATOM 0 H LYS A 199 20.108 10.565 -4.505 1.00 5.15 H new ATOM 0 HA LYS A 199 18.075 12.555 -4.827 1.00 40.52 H new ATOM 0 HB2 LYS A 199 18.145 10.350 -3.405 1.00 23.52 H new ATOM 0 HB3 LYS A 199 18.973 11.330 -2.212 1.00 23.52 H new ATOM 0 HG2 LYS A 199 16.889 12.967 -2.660 1.00 64.43 H new ATOM 0 HG3 LYS A 199 16.129 11.463 -3.140 1.00 64.43 H new ATOM 0 HD2 LYS A 199 16.117 10.621 -1.008 1.00 64.43 H new ATOM 0 HD3 LYS A 199 17.676 11.314 -0.607 1.00 64.43 H new ATOM 0 HE2 LYS A 199 16.211 13.601 -0.835 1.00 24.12 H new ATOM 0 HE3 LYS A 199 14.944 12.493 -0.345 1.00 24.12 H new ATOM 0 HZ1 LYS A 199 15.991 13.528 1.563 1.00 14.30 H new ATOM 0 HZ2 LYS A 199 16.284 11.856 1.577 1.00 14.30 H new ATOM 0 HZ3 LYS A 199 17.511 12.929 1.102 1.00 14.30 H new ATOM 1312 N LEU A 200 20.863 13.371 -3.382 1.00 34.25 N ATOM 1313 CA LEU A 200 21.629 14.479 -2.822 1.00 71.02 C ATOM 1314 C LEU A 200 21.844 15.573 -3.863 1.00 74.13 C ATOM 1315 O LEU A 200 21.569 16.746 -3.612 1.00 2.41 O ATOM 1316 CB LEU A 200 22.979 13.981 -2.303 1.00 70.25 C ATOM 1317 CG LEU A 200 23.719 14.919 -1.350 1.00 4.20 C ATOM 1318 CD1 LEU A 200 23.712 14.358 0.064 1.00 40.53 C ATOM 1319 CD2 LEU A 200 25.146 15.148 -1.828 1.00 21.24 C ATOM 0 H LEU A 200 21.419 12.547 -3.611 1.00 34.25 H new ATOM 0 HA LEU A 200 21.060 14.899 -1.992 1.00 71.02 H new ATOM 0 HB2 LEU A 200 22.822 13.030 -1.795 1.00 70.25 H new ATOM 0 HB3 LEU A 200 23.624 13.783 -3.159 1.00 70.25 H new ATOM 0 HG LEU A 200 23.202 15.878 -1.341 1.00 4.20 H new ATOM 0 HD11 LEU A 200 24.243 15.039 0.728 1.00 40.53 H new ATOM 0 HD12 LEU A 200 22.683 14.246 0.406 1.00 40.53 H new ATOM 0 HD13 LEU A 200 24.204 13.386 0.072 1.00 40.53 H new ATOM 0 HD21 LEU A 200 25.658 15.818 -1.137 1.00 21.24 H new ATOM 0 HD22 LEU A 200 25.674 14.195 -1.867 1.00 21.24 H new ATOM 0 HD23 LEU A 200 25.129 15.595 -2.822 1.00 21.24 H new ATOM 1331 N VAL A 201 22.334 15.180 -5.035 1.00 21.14 N ATOM 1332 CA VAL A 201 22.582 16.126 -6.116 1.00 4.13 C ATOM 1333 C VAL A 201 21.333 16.942 -6.430 1.00 23.13 C ATOM 1334 O VAL A 201 21.413 18.139 -6.700 1.00 50.43 O ATOM 1335 CB VAL A 201 23.047 15.407 -7.396 1.00 24.53 C ATOM 1336 CG1 VAL A 201 23.265 16.406 -8.521 1.00 43.23 C ATOM 1337 CG2 VAL A 201 24.315 14.609 -7.127 1.00 75.34 C ATOM 0 H VAL A 201 22.567 14.213 -5.260 1.00 21.14 H new ATOM 0 HA VAL A 201 23.373 16.794 -5.776 1.00 4.13 H new ATOM 0 HB VAL A 201 22.266 14.713 -7.706 1.00 24.53 H new ATOM 0 HG11 VAL A 201 23.593 15.879 -9.417 1.00 43.23 H new ATOM 0 HG12 VAL A 201 22.332 16.929 -8.729 1.00 43.23 H new ATOM 0 HG13 VAL A 201 24.027 17.127 -8.225 1.00 43.23 H new ATOM 0 HG21 VAL A 201 24.630 14.107 -8.042 1.00 75.34 H new ATOM 0 HG22 VAL A 201 25.104 15.282 -6.792 1.00 75.34 H new ATOM 0 HG23 VAL A 201 24.120 13.866 -6.354 1.00 75.34 H new ATOM 1347 N GLY A 202 20.178 16.284 -6.391 1.00 43.32 N ATOM 1348 CA GLY A 202 18.928 16.964 -6.673 1.00 53.53 C ATOM 1349 C GLY A 202 18.081 16.224 -7.689 1.00 61.52 C ATOM 1350 O GLY A 202 16.884 16.481 -7.815 1.00 51.03 O ATOM 0 H GLY A 202 20.086 15.293 -6.169 1.00 43.32 H new ATOM 0 HA2 GLY A 202 18.363 17.078 -5.748 1.00 53.53 H new ATOM 0 HA3 GLY A 202 19.139 17.967 -7.043 1.00 53.53 H new ATOM 1354 N ARG A 203 18.704 15.302 -8.417 1.00 11.13 N ATOM 1355 CA ARG A 203 18.000 14.524 -9.429 1.00 22.32 C ATOM 1356 C ARG A 203 16.744 13.883 -8.846 1.00 21.22 C ATOM 1357 O ARG A 203 15.753 13.684 -9.548 1.00 74.45 O ATOM 1358 CB ARG A 203 18.919 13.443 -10.001 1.00 73.52 C ATOM 1359 CG ARG A 203 18.395 12.814 -11.282 1.00 70.20 C ATOM 1360 CD ARG A 203 19.133 11.526 -11.613 1.00 32.13 C ATOM 1361 NE ARG A 203 20.323 11.770 -12.423 1.00 24.34 N ATOM 1362 CZ ARG A 203 21.202 10.826 -12.740 1.00 62.52 C ATOM 1363 NH1 ARG A 203 21.024 9.581 -12.319 1.00 4.13 N ATOM 1364 NH2 ARG A 203 22.261 11.125 -13.481 1.00 42.33 N ATOM 0 H ARG A 203 19.694 15.076 -8.324 1.00 11.13 H new ATOM 0 HA ARG A 203 17.703 15.201 -10.230 1.00 22.32 H new ATOM 0 HB2 ARG A 203 19.900 13.877 -10.194 1.00 73.52 H new ATOM 0 HB3 ARG A 203 19.057 12.662 -9.253 1.00 73.52 H new ATOM 0 HG2 ARG A 203 17.330 12.608 -11.178 1.00 70.20 H new ATOM 0 HG3 ARG A 203 18.504 13.519 -12.106 1.00 70.20 H new ATOM 0 HD2 ARG A 203 19.420 11.025 -10.689 1.00 32.13 H new ATOM 0 HD3 ARG A 203 18.463 10.851 -12.146 1.00 32.13 H new ATOM 0 HE ARG A 203 20.488 12.717 -12.764 1.00 24.34 H new ATOM 0 HH11 ARG A 203 20.210 9.346 -11.750 1.00 4.13 H new ATOM 0 HH12 ARG A 203 21.701 8.858 -12.564 1.00 4.13 H new ATOM 0 HH21 ARG A 203 22.401 12.081 -13.808 1.00 42.33 H new ATOM 0 HH22 ARG A 203 22.935 10.399 -13.724 1.00 42.33 H new ATOM 1378 N HIS A 204 16.794 13.561 -7.557 1.00 13.41 N ATOM 1379 CA HIS A 204 15.660 12.943 -6.879 1.00 72.11 C ATOM 1380 C HIS A 204 15.404 13.609 -5.530 1.00 72.25 C ATOM 1381 O HIS A 204 15.104 12.938 -4.543 1.00 20.30 O ATOM 1382 CB HIS A 204 15.910 11.447 -6.683 1.00 53.32 C ATOM 1383 CG HIS A 204 15.972 10.677 -7.966 1.00 42.34 C ATOM 1384 ND1 HIS A 204 14.923 9.919 -8.441 1.00 52.20 N ATOM 1385 CD2 HIS A 204 16.966 10.553 -8.877 1.00 23.35 C ATOM 1386 CE1 HIS A 204 15.269 9.360 -9.587 1.00 3.03 C ATOM 1387 NE2 HIS A 204 16.505 9.729 -9.874 1.00 33.15 N ATOM 0 H HIS A 204 17.607 13.718 -6.962 1.00 13.41 H new ATOM 0 HA HIS A 204 14.777 13.078 -7.504 1.00 72.11 H new ATOM 0 HB2 HIS A 204 16.846 11.311 -6.142 1.00 53.32 H new ATOM 0 HB3 HIS A 204 15.118 11.033 -6.059 1.00 53.32 H new ATOM 0 HD2 HIS A 204 17.940 11.016 -8.828 1.00 23.35 H new ATOM 0 HE1 HIS A 204 14.648 8.712 -10.187 1.00 3.03 H new ATOM 0 HE2 HIS A 204 17.031 9.448 -10.701 1.00 33.15 H new ATOM 1394 N ARG A 205 15.525 14.932 -5.497 1.00 31.11 N ATOM 1395 CA ARG A 205 15.309 15.688 -4.269 1.00 74.12 C ATOM 1396 C ARG A 205 13.820 15.919 -4.028 1.00 73.21 C ATOM 1397 O ARG A 205 13.305 15.639 -2.945 1.00 4.40 O ATOM 1398 CB ARG A 205 16.040 17.030 -4.336 1.00 55.11 C ATOM 1399 CG ARG A 205 17.211 17.134 -3.374 1.00 3.23 C ATOM 1400 CD ARG A 205 17.675 18.574 -3.214 1.00 31.40 C ATOM 1401 NE ARG A 205 19.079 18.740 -3.581 1.00 13.53 N ATOM 1402 CZ ARG A 205 19.680 19.922 -3.668 1.00 71.34 C ATOM 1403 NH1 ARG A 205 19.004 21.034 -3.417 1.00 35.13 N ATOM 1404 NH2 ARG A 205 20.961 19.992 -4.008 1.00 53.00 N ATOM 0 H ARG A 205 15.771 15.502 -6.306 1.00 31.11 H new ATOM 0 HA ARG A 205 15.708 15.106 -3.438 1.00 74.12 H new ATOM 0 HB2 ARG A 205 16.401 17.187 -5.352 1.00 55.11 H new ATOM 0 HB3 ARG A 205 15.332 17.831 -4.121 1.00 55.11 H new ATOM 0 HG2 ARG A 205 16.922 16.734 -2.402 1.00 3.23 H new ATOM 0 HG3 ARG A 205 18.037 16.523 -3.737 1.00 3.23 H new ATOM 0 HD2 ARG A 205 17.059 19.225 -3.834 1.00 31.40 H new ATOM 0 HD3 ARG A 205 17.531 18.889 -2.180 1.00 31.40 H new ATOM 0 HE ARG A 205 19.628 17.904 -3.781 1.00 13.53 H new ATOM 0 HH11 ARG A 205 18.019 20.984 -3.156 1.00 35.13 H new ATOM 0 HH12 ARG A 205 19.469 21.940 -3.485 1.00 35.13 H new ATOM 0 HH21 ARG A 205 21.484 19.138 -4.203 1.00 53.00 H new ATOM 0 HH22 ARG A 205 21.422 20.899 -4.075 1.00 53.00 H new ATOM 1418 N ASP A 206 13.134 16.431 -5.044 1.00 33.20 N ATOM 1419 CA ASP A 206 11.704 16.699 -4.943 1.00 72.01 C ATOM 1420 C ASP A 206 10.902 15.403 -5.006 1.00 21.31 C ATOM 1421 O ASP A 206 9.689 15.400 -4.795 1.00 31.14 O ATOM 1422 CB ASP A 206 11.260 17.642 -6.062 1.00 41.51 C ATOM 1423 CG ASP A 206 11.407 19.102 -5.681 1.00 13.43 C ATOM 1424 OD1 ASP A 206 12.340 19.425 -4.916 1.00 44.44 O ATOM 1425 OD2 ASP A 206 10.589 19.922 -6.147 1.00 55.12 O ATOM 0 H ASP A 206 13.545 16.669 -5.947 1.00 33.20 H new ATOM 0 HA ASP A 206 11.516 17.175 -3.981 1.00 72.01 H new ATOM 0 HB2 ASP A 206 11.849 17.442 -6.957 1.00 41.51 H new ATOM 0 HB3 ASP A 206 10.219 17.438 -6.313 1.00 41.51 H new ATOM 1430 N HIS A 207 11.588 14.302 -5.299 1.00 12.21 N ATOM 1431 CA HIS A 207 10.939 12.999 -5.390 1.00 62.12 C ATOM 1432 C HIS A 207 10.673 12.426 -4.001 1.00 53.24 C ATOM 1433 O HIS A 207 11.365 12.760 -3.040 1.00 34.22 O ATOM 1434 CB HIS A 207 11.805 12.030 -6.197 1.00 12.44 C ATOM 1435 CG HIS A 207 11.688 12.214 -7.678 1.00 51.04 C ATOM 1436 ND1 HIS A 207 12.378 11.442 -8.589 1.00 51.22 N ATOM 1437 CD2 HIS A 207 10.954 13.087 -8.407 1.00 52.11 C ATOM 1438 CE1 HIS A 207 12.075 11.834 -9.814 1.00 33.31 C ATOM 1439 NE2 HIS A 207 11.212 12.830 -9.731 1.00 50.51 N ATOM 0 H HIS A 207 12.592 14.287 -5.477 1.00 12.21 H new ATOM 0 HA HIS A 207 9.984 13.131 -5.898 1.00 62.12 H new ATOM 0 HB2 HIS A 207 12.847 12.157 -5.905 1.00 12.44 H new ATOM 0 HB3 HIS A 207 11.525 11.008 -5.943 1.00 12.44 H new ATOM 0 HD1 HIS A 207 13.022 10.686 -8.354 1.00 51.22 H new ATOM 0 HD2 HIS A 207 10.289 13.845 -8.019 1.00 52.11 H new ATOM 0 HE1 HIS A 207 12.467 11.412 -10.728 1.00 33.31 H new ATOM 1446 N GLN A 208 9.666 11.564 -3.905 1.00 52.03 N ATOM 1447 CA GLN A 208 9.308 10.947 -2.634 1.00 31.14 C ATOM 1448 C GLN A 208 9.904 9.547 -2.521 1.00 55.40 C ATOM 1449 O GLN A 208 9.373 8.589 -3.082 1.00 70.42 O ATOM 1450 CB GLN A 208 7.787 10.880 -2.485 1.00 50.21 C ATOM 1451 CG GLN A 208 7.320 10.782 -1.042 1.00 23.23 C ATOM 1452 CD GLN A 208 5.972 10.101 -0.909 1.00 63.03 C ATOM 1453 OE1 GLN A 208 5.669 9.153 -1.634 1.00 31.31 O ATOM 1454 NE2 GLN A 208 5.154 10.582 0.020 1.00 45.24 N ATOM 0 H GLN A 208 9.084 11.277 -4.692 1.00 52.03 H new ATOM 0 HA GLN A 208 9.717 11.562 -1.833 1.00 31.14 H new ATOM 0 HB2 GLN A 208 7.346 11.767 -2.941 1.00 50.21 H new ATOM 0 HB3 GLN A 208 7.414 10.018 -3.038 1.00 50.21 H new ATOM 0 HG2 GLN A 208 8.060 10.231 -0.461 1.00 23.23 H new ATOM 0 HG3 GLN A 208 7.261 11.783 -0.615 1.00 23.23 H new ATOM 0 HE21 GLN A 208 5.446 11.369 0.599 1.00 45.24 H new ATOM 0 HE22 GLN A 208 4.233 10.164 0.155 1.00 45.24 H new ATOM 1463 N VAL A 209 11.010 9.437 -1.792 1.00 52.22 N ATOM 1464 CA VAL A 209 11.678 8.155 -1.605 1.00 75.33 C ATOM 1465 C VAL A 209 11.572 7.686 -0.158 1.00 73.25 C ATOM 1466 O VAL A 209 11.013 8.380 0.690 1.00 35.42 O ATOM 1467 CB VAL A 209 13.164 8.233 -2.001 1.00 21.04 C ATOM 1468 CG1 VAL A 209 13.307 8.570 -3.477 1.00 1.31 C ATOM 1469 CG2 VAL A 209 13.891 9.254 -1.139 1.00 40.40 C ATOM 0 H VAL A 209 11.462 10.221 -1.321 1.00 52.22 H new ATOM 0 HA VAL A 209 11.175 7.438 -2.254 1.00 75.33 H new ATOM 0 HB VAL A 209 13.619 7.257 -1.831 1.00 21.04 H new ATOM 0 HG11 VAL A 209 14.364 8.621 -3.738 1.00 1.31 H new ATOM 0 HG12 VAL A 209 12.822 7.798 -4.075 1.00 1.31 H new ATOM 0 HG13 VAL A 209 12.837 9.533 -3.678 1.00 1.31 H new ATOM 0 HG21 VAL A 209 14.940 9.297 -1.432 1.00 40.40 H new ATOM 0 HG22 VAL A 209 13.436 10.235 -1.275 1.00 40.40 H new ATOM 0 HG23 VAL A 209 13.819 8.963 -0.091 1.00 40.40 H new ATOM 1479 N ALA A 210 12.113 6.504 0.116 1.00 63.53 N ATOM 1480 CA ALA A 210 12.082 5.942 1.461 1.00 43.54 C ATOM 1481 C ALA A 210 13.492 5.684 1.980 1.00 5.45 C ATOM 1482 O ALA A 210 14.324 5.104 1.284 1.00 64.02 O ATOM 1483 CB ALA A 210 11.268 4.657 1.478 1.00 40.33 C ATOM 0 H ALA A 210 12.578 5.916 -0.576 1.00 63.53 H new ATOM 0 HA ALA A 210 11.607 6.668 2.121 1.00 43.54 H new ATOM 0 HB1 ALA A 210 11.254 4.249 2.489 1.00 40.33 H new ATOM 0 HB2 ALA A 210 10.248 4.868 1.157 1.00 40.33 H new ATOM 0 HB3 ALA A 210 11.718 3.932 0.800 1.00 40.33 H new ATOM 1489 N ALA A 211 13.754 6.120 3.208 1.00 4.24 N ATOM 1490 CA ALA A 211 15.064 5.935 3.822 1.00 73.14 C ATOM 1491 C ALA A 211 15.073 4.716 4.738 1.00 1.33 C ATOM 1492 O ALA A 211 14.051 4.363 5.328 1.00 23.43 O ATOM 1493 CB ALA A 211 15.466 7.182 4.594 1.00 11.34 C ATOM 0 H ALA A 211 13.077 6.604 3.797 1.00 4.24 H new ATOM 0 HA ALA A 211 15.790 5.765 3.027 1.00 73.14 H new ATOM 0 HB1 ALA A 211 16.446 7.030 5.047 1.00 11.34 H new ATOM 0 HB2 ALA A 211 15.509 8.033 3.914 1.00 11.34 H new ATOM 0 HB3 ALA A 211 14.732 7.379 5.375 1.00 11.34 H new