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 175 CYS SG : rot 151:sc= 0.139 USER MOD Set 1.2: A 178 HIS : no HD1:sc= -2.37! K(o=-1.2!,f=0.19) USER MOD Set 1.3: A 195 CYS SG : rot -50:sc= 0.48 USER MOD Set 1.4: A 198 CYS SG : rot 180:sc= 0.594 USER MOD Set 2.1: A 187 CYS SG : rot 40:sc= -0.247 USER MOD Set 2.2: A 204 HIS : no HD1:sc= -1.62 K(o=-1.2,f=-2.6) USER MOD Set 2.3: A 207 HIS : no HE2:sc= 0.668 K(o=-1.2,f=-8.6!) USER MOD Set 3.1: A 174 MET CE :methyl 171:sc= 0 (180deg=0) USER MOD Set 3.2: A 182 LYS NZ :NH3+ 150:sc= 0 (180deg=0) USER MOD Set 4.1: A 134 CYS SG : rot 43:sc= 1.11 USER MOD Set 4.2: A 137 CYS SG : rot 180:sc= 0 USER MOD Set 4.3: A 149 THR OG1 : rot 180:sc= -0.428 USER MOD Set 4.4: A 150 HIS : no HD1:sc= -2.98 X(o=-2.3,f=-2) USER MOD Set 4.5: A 159 HIS : no HE2:sc= -0.0112 K(o=-2.3,f=-6.8) USER MOD Set 5.1: A 133 THR OG1 : rot 88:sc= 0.109 USER MOD Set 5.2: A 140 SER OG : rot 64:sc= 0.892 USER MOD Set 6.1: A 119 CYS SG : rot -150:sc= 0.113 USER MOD Set 6.2: A 122 CYS SG : rot 26:sc= 0.174 USER MOD Set 6.3: A 124 GLN : amide:sc= -0.488 K(o=1.6,f=2.7) USER MOD Set 6.4: A 128 GLN : amide:sc= 0.569 K(o=1.6,f=2.7) USER MOD Set 6.5: A 142 CYS SG : rot -133:sc= 0.352 USER MOD Set 6.6: A 145 CYS SG : rot -144:sc= 0.854 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 GLN : amide:sc= -0.146 X(o=-0.15,f=0) USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 136 THR OG1 : rot 180:sc= 0.00857 USER MOD Single : A 141 TYR OH : rot -47:sc= 0.234 USER MOD Single : A 147 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 184 ASN : amide:sc= -0.113 K(o=-0.11,f=-1.1) USER MOD Single : A 185 MET CE :methyl 158:sc= 0 (180deg=-0.33) USER MOD Single : A 186 TYR OH : rot 162:sc= -0.635 USER MOD Single : A 189 THR OG1 : rot 180:sc=0.000121 USER MOD Single : A 192 GLN : amide:sc= -2.12 K(o=-2.1,f=-4.8!) USER MOD Single : A 199 LYS NZ :NH3+ -157:sc= -0.0426 (180deg=-0.426) USER MOD Single : A 208 GLN : amide:sc=-0.00305 K(o=-0.003,f=-1) USER MOD ----------------------------------------------------------------- ATOM 26 N LYS A 116 3.020 0.102 -5.268 1.00 35.32 N ATOM 27 CA LYS A 116 3.669 0.267 -6.563 1.00 3.35 C ATOM 28 C LYS A 116 2.868 1.207 -7.457 1.00 54.14 C ATOM 29 O LYS A 116 1.646 1.093 -7.558 1.00 70.33 O ATOM 30 CB LYS A 116 3.836 -1.090 -7.250 1.00 10.22 C ATOM 31 CG LYS A 116 5.173 -1.753 -6.970 1.00 22.44 C ATOM 32 CD LYS A 116 5.074 -3.267 -7.057 1.00 33.14 C ATOM 33 CE LYS A 116 6.154 -3.945 -6.228 1.00 30.21 C ATOM 34 NZ LYS A 116 7.186 -4.593 -7.085 1.00 13.33 N ATOM 0 HA LYS A 116 4.653 0.705 -6.395 1.00 3.35 H new ATOM 0 HB2 LYS A 116 3.035 -1.754 -6.924 1.00 10.22 H new ATOM 0 HB3 LYS A 116 3.723 -0.959 -8.326 1.00 10.22 H new ATOM 0 HG2 LYS A 116 5.915 -1.394 -7.684 1.00 22.44 H new ATOM 0 HG3 LYS A 116 5.521 -1.467 -5.978 1.00 22.44 H new ATOM 0 HD2 LYS A 116 4.092 -3.589 -6.710 1.00 33.14 H new ATOM 0 HD3 LYS A 116 5.163 -3.579 -8.098 1.00 33.14 H new ATOM 0 HE2 LYS A 116 6.630 -3.209 -5.580 1.00 30.21 H new ATOM 0 HE3 LYS A 116 5.698 -4.693 -5.580 1.00 30.21 H new ATOM 0 HZ1 LYS A 116 7.904 -5.044 -6.483 1.00 13.33 H new ATOM 0 HZ2 LYS A 116 6.736 -5.313 -7.686 1.00 13.33 H new ATOM 0 HZ3 LYS A 116 7.639 -3.875 -7.686 1.00 13.33 H new ATOM 48 N VAL A 117 3.563 2.135 -8.107 1.00 10.54 N ATOM 49 CA VAL A 117 2.916 3.093 -8.995 1.00 40.33 C ATOM 50 C VAL A 117 2.364 2.404 -10.238 1.00 30.00 C ATOM 51 O VAL A 117 3.002 1.515 -10.803 1.00 72.42 O ATOM 52 CB VAL A 117 3.891 4.204 -9.428 1.00 52.43 C ATOM 53 CG1 VAL A 117 4.986 3.637 -10.319 1.00 13.21 C ATOM 54 CG2 VAL A 117 3.142 5.323 -10.137 1.00 1.24 C ATOM 0 H VAL A 117 4.575 2.244 -8.035 1.00 10.54 H new ATOM 0 HA VAL A 117 2.094 3.539 -8.435 1.00 40.33 H new ATOM 0 HB VAL A 117 4.360 4.619 -8.536 1.00 52.43 H new ATOM 0 HG11 VAL A 117 5.665 4.437 -10.615 1.00 13.21 H new ATOM 0 HG12 VAL A 117 5.540 2.874 -9.773 1.00 13.21 H new ATOM 0 HG13 VAL A 117 4.538 3.194 -11.208 1.00 13.21 H new ATOM 0 HG21 VAL A 117 3.846 6.100 -10.436 1.00 1.24 H new ATOM 0 HG22 VAL A 117 2.644 4.924 -11.021 1.00 1.24 H new ATOM 0 HG23 VAL A 117 2.399 5.748 -9.462 1.00 1.24 H new ATOM 64 N LEU A 118 1.175 2.820 -10.659 1.00 51.04 N ATOM 65 CA LEU A 118 0.536 2.243 -11.837 1.00 14.10 C ATOM 66 C LEU A 118 0.826 3.079 -13.079 1.00 44.31 C ATOM 67 O LEU A 118 0.933 4.300 -12.972 1.00 13.12 O ATOM 68 CB LEU A 118 -0.975 2.138 -11.621 1.00 71.33 C ATOM 69 CG LEU A 118 -1.454 0.940 -10.801 1.00 20.35 C ATOM 70 CD1 LEU A 118 -2.667 1.316 -9.964 1.00 52.34 C ATOM 71 CD2 LEU A 118 -1.776 -0.236 -11.711 1.00 63.31 C ATOM 0 H LEU A 118 0.634 3.554 -10.203 1.00 51.04 H new ATOM 0 HA LEU A 118 0.946 1.245 -11.990 1.00 14.10 H new ATOM 0 HB2 LEU A 118 -1.316 3.049 -11.129 1.00 71.33 H new ATOM 0 HB3 LEU A 118 -1.460 2.102 -12.597 1.00 71.33 H new ATOM 0 HG LEU A 118 -0.651 0.642 -10.127 1.00 20.35 H new ATOM 0 HD11 LEU A 118 -2.994 0.451 -9.387 1.00 52.34 H new ATOM 0 HD12 LEU A 118 -2.403 2.126 -9.284 1.00 52.34 H new ATOM 0 HD13 LEU A 118 -3.475 1.641 -10.620 1.00 52.34 H new ATOM 0 HD21 LEU A 118 -2.115 -1.079 -11.109 1.00 63.31 H new ATOM 0 HD22 LEU A 118 -2.561 0.050 -12.411 1.00 63.31 H new ATOM 0 HD23 LEU A 118 -0.882 -0.522 -12.266 1.00 63.31 H new ATOM 83 N CYS A 119 0.945 2.413 -14.218 1.00 62.10 N ATOM 84 CA CYS A 119 1.220 3.106 -15.465 1.00 72.23 C ATOM 85 C CYS A 119 0.059 4.061 -15.749 1.00 43.55 C ATOM 86 O CYS A 119 -1.000 3.672 -16.240 1.00 50.10 O ATOM 87 CB CYS A 119 1.448 2.126 -16.618 1.00 53.13 C ATOM 88 SG CYS A 119 2.377 2.948 -17.964 1.00 13.33 S ATOM 0 H CYS A 119 0.856 1.400 -14.303 1.00 62.10 H new ATOM 0 HA CYS A 119 2.144 3.676 -15.372 1.00 72.23 H new ATOM 0 HB2 CYS A 119 2.000 1.256 -16.263 1.00 53.13 H new ATOM 0 HB3 CYS A 119 0.491 1.765 -16.994 1.00 53.13 H new ATOM 0 HG CYS A 119 2.037 2.428 -19.106 1.00 13.33 H new ATOM 93 N GLN A 120 0.285 5.331 -15.427 1.00 44.04 N ATOM 94 CA GLN A 120 -0.723 6.363 -15.637 1.00 32.02 C ATOM 95 C GLN A 120 -0.983 6.576 -17.124 1.00 52.34 C ATOM 96 O GLN A 120 -2.025 7.105 -17.514 1.00 30.55 O ATOM 97 CB GLN A 120 -0.281 7.677 -14.991 1.00 25.02 C ATOM 98 CG GLN A 120 -1.397 8.400 -14.255 1.00 32.42 C ATOM 99 CD GLN A 120 -0.987 8.847 -12.866 1.00 5.51 C ATOM 100 OE1 GLN A 120 -1.728 8.669 -11.899 1.00 24.41 O ATOM 101 NE2 GLN A 120 0.200 9.434 -12.759 1.00 63.54 N ATOM 0 H GLN A 120 1.157 5.669 -15.020 1.00 44.04 H new ATOM 0 HA GLN A 120 -1.650 6.030 -15.169 1.00 32.02 H new ATOM 0 HB2 GLN A 120 0.531 7.474 -14.293 1.00 25.02 H new ATOM 0 HB3 GLN A 120 0.119 8.335 -15.763 1.00 25.02 H new ATOM 0 HG2 GLN A 120 -1.706 9.269 -14.836 1.00 32.42 H new ATOM 0 HG3 GLN A 120 -2.263 7.742 -14.180 1.00 32.42 H new ATOM 0 HE21 GLN A 120 0.782 9.562 -13.587 1.00 63.54 H new ATOM 0 HE22 GLN A 120 0.529 9.757 -11.849 1.00 63.54 H new ATOM 110 N PHE A 121 -0.029 6.162 -17.952 1.00 14.40 N ATOM 111 CA PHE A 121 -0.155 6.309 -19.397 1.00 44.44 C ATOM 112 C PHE A 121 -0.415 4.960 -20.061 1.00 1.22 C ATOM 113 O PHE A 121 0.135 4.697 -21.129 1.00 4.40 O ATOM 114 CB PHE A 121 1.112 6.940 -19.979 1.00 3.42 C ATOM 115 CG PHE A 121 1.163 8.434 -19.825 1.00 60.44 C ATOM 116 CD1 PHE A 121 1.059 9.019 -18.574 1.00 33.44 C ATOM 117 CD2 PHE A 121 1.316 9.252 -20.933 1.00 15.33 C ATOM 118 CE1 PHE A 121 1.104 10.392 -18.430 1.00 3.41 C ATOM 119 CE2 PHE A 121 1.362 10.627 -20.795 1.00 62.11 C ATOM 120 CZ PHE A 121 1.257 11.198 -19.542 1.00 25.52 C ATOM 0 H PHE A 121 0.839 5.722 -17.647 1.00 14.40 H new ATOM 0 HA PHE A 121 -1.004 6.963 -19.598 1.00 44.44 H new ATOM 0 HB2 PHE A 121 1.983 6.503 -19.491 1.00 3.42 H new ATOM 0 HB3 PHE A 121 1.180 6.689 -21.038 1.00 3.42 H new ATOM 0 HD1 PHE A 121 0.941 8.394 -17.701 1.00 33.44 H new ATOM 0 HD2 PHE A 121 1.400 8.811 -21.915 1.00 15.33 H new ATOM 0 HE1 PHE A 121 1.020 10.835 -17.449 1.00 3.41 H new ATOM 0 HE2 PHE A 121 1.480 11.254 -21.666 1.00 62.11 H new ATOM 0 HZ PHE A 121 1.294 12.272 -19.431 1.00 25.52 H new ATOM 130 N CYS A 122 -1.239 4.144 -19.420 1.00 63.22 N ATOM 131 CA CYS A 122 -1.560 2.832 -19.957 1.00 10.41 C ATOM 132 C CYS A 122 -2.956 2.897 -20.581 1.00 4.34 C ATOM 133 O CYS A 122 -3.857 3.579 -20.093 1.00 33.12 O ATOM 134 CB CYS A 122 -1.464 1.744 -18.886 1.00 64.31 C ATOM 135 SG CYS A 122 -0.237 0.481 -19.386 1.00 4.32 S ATOM 0 H CYS A 122 -1.694 4.366 -18.534 1.00 63.22 H new ATOM 0 HA CYS A 122 -0.833 2.561 -20.723 1.00 10.41 H new ATOM 0 HB2 CYS A 122 -1.176 2.186 -17.932 1.00 64.31 H new ATOM 0 HB3 CYS A 122 -2.439 1.278 -18.740 1.00 64.31 H new ATOM 0 HG CYS A 122 0.633 1.016 -20.191 1.00 4.32 H new ATOM 140 N ASP A 123 -3.114 2.167 -21.679 1.00 32.01 N ATOM 141 CA ASP A 123 -4.387 2.122 -22.390 1.00 45.22 C ATOM 142 C ASP A 123 -4.804 0.681 -22.667 1.00 1.30 C ATOM 143 O ASP A 123 -5.217 0.348 -23.777 1.00 61.22 O ATOM 144 CB ASP A 123 -4.288 2.899 -23.704 1.00 13.21 C ATOM 145 CG ASP A 123 -5.649 3.244 -24.276 1.00 13.45 C ATOM 146 OD1 ASP A 123 -6.316 4.141 -23.719 1.00 11.23 O ATOM 147 OD2 ASP A 123 -6.048 2.617 -25.279 1.00 52.03 O ATOM 0 H ASP A 123 -2.377 1.598 -22.096 1.00 32.01 H new ATOM 0 HA ASP A 123 -5.145 2.585 -21.758 1.00 45.22 H new ATOM 0 HB2 ASP A 123 -3.723 3.817 -23.539 1.00 13.21 H new ATOM 0 HB3 ASP A 123 -3.731 2.308 -24.431 1.00 13.21 H new ATOM 152 N GLN A 124 -4.692 -0.168 -21.650 1.00 42.45 N ATOM 153 CA GLN A 124 -5.056 -1.573 -21.786 1.00 31.02 C ATOM 154 C GLN A 124 -6.496 -1.808 -21.341 1.00 2.55 C ATOM 155 O GLN A 124 -7.285 -2.423 -22.057 1.00 60.52 O ATOM 156 CB GLN A 124 -4.107 -2.449 -20.966 1.00 11.21 C ATOM 157 CG GLN A 124 -2.910 -2.954 -21.756 1.00 14.04 C ATOM 158 CD GLN A 124 -2.068 -3.940 -20.971 1.00 65.00 C ATOM 159 OE1 GLN A 124 -2.030 -5.130 -21.285 1.00 42.03 O ATOM 160 NE2 GLN A 124 -1.385 -3.449 -19.943 1.00 31.30 N ATOM 0 H GLN A 124 -4.352 0.093 -20.724 1.00 42.45 H new ATOM 0 HA GLN A 124 -4.971 -1.844 -22.838 1.00 31.02 H new ATOM 0 HB2 GLN A 124 -3.751 -1.880 -20.107 1.00 11.21 H new ATOM 0 HB3 GLN A 124 -4.660 -3.303 -20.575 1.00 11.21 H new ATOM 0 HG2 GLN A 124 -3.259 -3.429 -22.673 1.00 14.04 H new ATOM 0 HG3 GLN A 124 -2.291 -2.107 -22.051 1.00 14.04 H new ATOM 0 HE21 GLN A 124 -1.446 -2.456 -19.718 1.00 31.30 H new ATOM 0 HE22 GLN A 124 -0.800 -4.065 -19.379 1.00 31.30 H new ATOM 169 N ASP A 125 -6.831 -1.313 -20.154 1.00 23.11 N ATOM 170 CA ASP A 125 -8.176 -1.468 -19.613 1.00 71.21 C ATOM 171 C ASP A 125 -8.501 -2.940 -19.379 1.00 73.10 C ATOM 172 O ASP A 125 -9.062 -3.621 -20.238 1.00 20.53 O ATOM 173 CB ASP A 125 -9.205 -0.850 -20.562 1.00 25.42 C ATOM 174 CG ASP A 125 -9.803 0.430 -20.013 1.00 32.44 C ATOM 175 OD1 ASP A 125 -10.528 0.358 -18.999 1.00 31.34 O ATOM 176 OD2 ASP A 125 -9.547 1.503 -20.597 1.00 54.35 O ATOM 0 H ASP A 125 -6.189 -0.801 -19.548 1.00 23.11 H new ATOM 0 HA ASP A 125 -8.218 -0.948 -18.656 1.00 71.21 H new ATOM 0 HB2 ASP A 125 -8.732 -0.644 -21.522 1.00 25.42 H new ATOM 0 HB3 ASP A 125 -10.002 -1.570 -20.747 1.00 25.42 H new ATOM 181 N PRO A 126 -8.141 -3.444 -18.189 1.00 60.24 N ATOM 182 CA PRO A 126 -7.473 -2.643 -17.160 1.00 4.02 C ATOM 183 C PRO A 126 -6.044 -2.276 -17.547 1.00 71.22 C ATOM 184 O PRO A 126 -5.443 -2.912 -18.412 1.00 61.32 O ATOM 185 CB PRO A 126 -7.475 -3.563 -15.937 1.00 34.33 C ATOM 186 CG PRO A 126 -7.542 -4.941 -16.500 1.00 22.15 C ATOM 187 CD PRO A 126 -8.358 -4.835 -17.758 1.00 62.41 C ATOM 0 HA PRO A 126 -7.977 -1.690 -16.995 1.00 4.02 H new ATOM 0 HB2 PRO A 126 -6.577 -3.424 -15.336 1.00 34.33 H new ATOM 0 HB3 PRO A 126 -8.327 -3.358 -15.289 1.00 34.33 H new ATOM 0 HG2 PRO A 126 -6.544 -5.324 -16.713 1.00 22.15 H new ATOM 0 HG3 PRO A 126 -8.004 -5.630 -15.792 1.00 22.15 H new ATOM 0 HD2 PRO A 126 -8.025 -5.546 -18.514 1.00 62.41 H new ATOM 0 HD3 PRO A 126 -9.413 -5.038 -17.571 1.00 62.41 H new ATOM 195 N ALA A 127 -5.506 -1.247 -16.901 1.00 13.01 N ATOM 196 CA ALA A 127 -4.147 -0.798 -17.176 1.00 53.45 C ATOM 197 C ALA A 127 -3.124 -1.673 -16.461 1.00 70.01 C ATOM 198 O ALA A 127 -3.485 -2.619 -15.761 1.00 41.13 O ATOM 199 CB ALA A 127 -3.979 0.658 -16.766 1.00 31.45 C ATOM 0 H ALA A 127 -5.991 -0.708 -16.183 1.00 13.01 H new ATOM 0 HA ALA A 127 -3.972 -0.884 -18.248 1.00 53.45 H new ATOM 0 HB1 ALA A 127 -2.959 0.980 -16.977 1.00 31.45 H new ATOM 0 HB2 ALA A 127 -4.679 1.277 -17.327 1.00 31.45 H new ATOM 0 HB3 ALA A 127 -4.179 0.761 -15.699 1.00 31.45 H new ATOM 205 N GLN A 128 -1.847 -1.351 -16.642 1.00 72.43 N ATOM 206 CA GLN A 128 -0.772 -2.111 -16.015 1.00 12.55 C ATOM 207 C GLN A 128 0.063 -1.219 -15.101 1.00 54.24 C ATOM 208 O GLN A 128 -0.209 -0.026 -14.965 1.00 41.33 O ATOM 209 CB GLN A 128 0.121 -2.747 -17.081 1.00 31.44 C ATOM 210 CG GLN A 128 0.105 -4.267 -17.059 1.00 25.34 C ATOM 211 CD GLN A 128 1.120 -4.875 -18.007 1.00 22.12 C ATOM 212 OE1 GLN A 128 0.844 -5.066 -19.191 1.00 53.45 O ATOM 213 NE2 GLN A 128 2.304 -5.183 -17.490 1.00 32.24 N ATOM 0 H GLN A 128 -1.532 -0.570 -17.217 1.00 72.43 H new ATOM 0 HA GLN A 128 -1.222 -2.899 -15.412 1.00 12.55 H new ATOM 0 HB2 GLN A 128 -0.199 -2.403 -18.064 1.00 31.44 H new ATOM 0 HB3 GLN A 128 1.145 -2.400 -16.940 1.00 31.44 H new ATOM 0 HG2 GLN A 128 0.307 -4.614 -16.046 1.00 25.34 H new ATOM 0 HG3 GLN A 128 -0.892 -4.620 -17.325 1.00 25.34 H new ATOM 0 HE21 GLN A 128 2.491 -5.008 -16.503 1.00 32.24 H new ATOM 0 HE22 GLN A 128 3.027 -5.595 -18.080 1.00 32.24 H new ATOM 222 N ASP A 129 1.078 -1.805 -14.478 1.00 24.22 N ATOM 223 CA ASP A 129 1.954 -1.064 -13.578 1.00 12.54 C ATOM 224 C ASP A 129 3.270 -0.715 -14.265 1.00 3.22 C ATOM 225 O ASP A 129 3.721 -1.427 -15.161 1.00 44.25 O ATOM 226 CB ASP A 129 2.225 -1.877 -12.311 1.00 2.41 C ATOM 227 CG ASP A 129 3.008 -3.144 -12.593 1.00 74.21 C ATOM 228 OD1 ASP A 129 2.528 -3.970 -13.397 1.00 32.41 O ATOM 229 OD2 ASP A 129 4.099 -3.310 -12.009 1.00 63.34 O ATOM 0 H ASP A 129 1.315 -2.792 -14.579 1.00 24.22 H new ATOM 0 HA ASP A 129 1.451 -0.136 -13.304 1.00 12.54 H new ATOM 0 HB2 ASP A 129 2.777 -1.263 -11.600 1.00 2.41 H new ATOM 0 HB3 ASP A 129 1.277 -2.136 -11.839 1.00 2.41 H new ATOM 234 N ALA A 130 3.881 0.386 -13.839 1.00 20.04 N ATOM 235 CA ALA A 130 5.146 0.829 -14.412 1.00 71.41 C ATOM 236 C ALA A 130 6.318 0.451 -13.513 1.00 43.20 C ATOM 237 O ALA A 130 6.384 0.865 -12.356 1.00 5.25 O ATOM 238 CB ALA A 130 5.121 2.332 -14.648 1.00 23.45 C ATOM 0 H ALA A 130 3.520 0.988 -13.099 1.00 20.04 H new ATOM 0 HA ALA A 130 5.280 0.325 -15.369 1.00 71.41 H new ATOM 0 HB1 ALA A 130 6.072 2.649 -15.076 1.00 23.45 H new ATOM 0 HB2 ALA A 130 4.313 2.579 -15.337 1.00 23.45 H new ATOM 0 HB3 ALA A 130 4.960 2.846 -13.701 1.00 23.45 H new ATOM 244 N VAL A 131 7.242 -0.338 -14.053 1.00 11.03 N ATOM 245 CA VAL A 131 8.412 -0.771 -13.299 1.00 64.11 C ATOM 246 C VAL A 131 9.682 -0.116 -13.831 1.00 51.12 C ATOM 247 O VAL A 131 10.746 -0.210 -13.220 1.00 23.44 O ATOM 248 CB VAL A 131 8.578 -2.302 -13.350 1.00 12.42 C ATOM 249 CG1 VAL A 131 7.385 -2.989 -12.703 1.00 24.53 C ATOM 250 CG2 VAL A 131 8.759 -2.770 -14.786 1.00 25.24 C ATOM 0 H VAL A 131 7.203 -0.690 -15.010 1.00 11.03 H new ATOM 0 HA VAL A 131 8.253 -0.464 -12.265 1.00 64.11 H new ATOM 0 HB VAL A 131 9.472 -2.573 -12.788 1.00 12.42 H new ATOM 0 HG11 VAL A 131 7.519 -4.070 -12.748 1.00 24.53 H new ATOM 0 HG12 VAL A 131 7.306 -2.676 -11.662 1.00 24.53 H new ATOM 0 HG13 VAL A 131 6.474 -2.714 -13.235 1.00 24.53 H new ATOM 0 HG21 VAL A 131 8.875 -3.854 -14.804 1.00 25.24 H new ATOM 0 HG22 VAL A 131 7.885 -2.489 -15.373 1.00 25.24 H new ATOM 0 HG23 VAL A 131 9.647 -2.303 -15.212 1.00 25.24 H new ATOM 260 N LYS A 132 9.563 0.550 -14.975 1.00 32.11 N ATOM 261 CA LYS A 132 10.700 1.224 -15.591 1.00 32.25 C ATOM 262 C LYS A 132 10.469 2.730 -15.656 1.00 42.12 C ATOM 263 O LYS A 132 9.345 3.205 -15.492 1.00 33.21 O ATOM 264 CB LYS A 132 10.945 0.673 -16.997 1.00 70.11 C ATOM 265 CG LYS A 132 12.104 -0.306 -17.074 1.00 1.35 C ATOM 266 CD LYS A 132 12.518 -0.569 -18.512 1.00 34.12 C ATOM 267 CE LYS A 132 12.980 -2.005 -18.705 1.00 31.23 C ATOM 268 NZ LYS A 132 11.833 -2.935 -18.900 1.00 25.42 N ATOM 0 H LYS A 132 8.690 0.637 -15.495 1.00 32.11 H new ATOM 0 HA LYS A 132 11.580 1.036 -14.976 1.00 32.25 H new ATOM 0 HB2 LYS A 132 10.039 0.178 -17.347 1.00 70.11 H new ATOM 0 HB3 LYS A 132 11.137 1.504 -17.675 1.00 70.11 H new ATOM 0 HG2 LYS A 132 12.953 0.090 -16.517 1.00 1.35 H new ATOM 0 HG3 LYS A 132 11.820 -1.245 -16.599 1.00 1.35 H new ATOM 0 HD2 LYS A 132 11.679 -0.363 -19.177 1.00 34.12 H new ATOM 0 HD3 LYS A 132 13.321 0.113 -18.791 1.00 34.12 H new ATOM 0 HE2 LYS A 132 13.643 -2.060 -19.568 1.00 31.23 H new ATOM 0 HE3 LYS A 132 13.559 -2.320 -17.837 1.00 31.23 H new ATOM 0 HZ1 LYS A 132 12.189 -3.904 -19.028 1.00 25.42 H new ATOM 0 HZ2 LYS A 132 11.213 -2.902 -18.066 1.00 25.42 H new ATOM 0 HZ3 LYS A 132 11.294 -2.650 -19.743 1.00 25.42 H new ATOM 282 N THR A 133 11.541 3.478 -15.899 1.00 10.52 N ATOM 283 CA THR A 133 11.455 4.931 -15.987 1.00 22.34 C ATOM 284 C THR A 133 12.589 5.498 -16.832 1.00 43.34 C ATOM 285 O THR A 133 13.746 5.155 -16.596 1.00 24.42 O ATOM 286 CB THR A 133 11.496 5.581 -14.591 1.00 14.30 C ATOM 287 OG1 THR A 133 10.546 4.947 -13.727 1.00 70.11 O ATOM 288 CG2 THR A 133 11.194 7.070 -14.679 1.00 33.32 C ATOM 0 H THR A 133 12.479 3.102 -16.038 1.00 10.52 H new ATOM 0 HA THR A 133 10.501 5.164 -16.461 1.00 22.34 H new ATOM 0 HB THR A 133 12.499 5.453 -14.184 1.00 14.30 H new ATOM 0 HG1 THR A 133 10.964 4.175 -13.291 1.00 70.11 H new ATOM 0 HG21 THR A 133 11.228 7.508 -13.681 1.00 33.32 H new ATOM 0 HG22 THR A 133 11.936 7.555 -15.314 1.00 33.32 H new ATOM 0 HG23 THR A 133 10.201 7.215 -15.105 1.00 33.32 H new ATOM 296 N CYS A 134 12.239 6.346 -17.789 1.00 32.33 N ATOM 297 CA CYS A 134 13.236 6.950 -18.656 1.00 30.41 C ATOM 298 C CYS A 134 13.523 8.363 -18.146 1.00 40.43 C ATOM 299 O CYS A 134 12.626 9.185 -17.960 1.00 14.23 O ATOM 300 CB CYS A 134 12.788 6.950 -20.119 1.00 15.32 C ATOM 301 SG CYS A 134 14.021 7.823 -21.151 1.00 61.01 S ATOM 0 H CYS A 134 11.278 6.629 -17.983 1.00 32.33 H new ATOM 0 HA CYS A 134 14.153 6.361 -18.626 1.00 30.41 H new ATOM 0 HB2 CYS A 134 12.667 5.925 -20.471 1.00 15.32 H new ATOM 0 HB3 CYS A 134 11.816 7.435 -20.210 1.00 15.32 H new ATOM 0 HG CYS A 134 15.218 7.460 -20.797 1.00 61.01 H new ATOM 306 N VAL A 135 14.806 8.631 -17.924 1.00 30.55 N ATOM 307 CA VAL A 135 15.242 9.934 -17.437 1.00 42.03 C ATOM 308 C VAL A 135 15.135 10.992 -18.530 1.00 1.14 C ATOM 309 O VAL A 135 14.765 12.137 -18.267 1.00 73.12 O ATOM 310 CB VAL A 135 16.694 9.885 -16.926 1.00 3.11 C ATOM 311 CG1 VAL A 135 16.799 8.992 -15.699 1.00 73.32 C ATOM 312 CG2 VAL A 135 17.630 9.406 -18.025 1.00 41.45 C ATOM 0 H VAL A 135 15.562 7.963 -18.074 1.00 30.55 H new ATOM 0 HA VAL A 135 14.583 10.200 -16.611 1.00 42.03 H new ATOM 0 HB VAL A 135 16.993 10.893 -16.639 1.00 3.11 H new ATOM 0 HG11 VAL A 135 17.832 8.970 -15.352 1.00 73.32 H new ATOM 0 HG12 VAL A 135 16.159 9.384 -14.908 1.00 73.32 H new ATOM 0 HG13 VAL A 135 16.481 7.982 -15.956 1.00 73.32 H new ATOM 0 HG21 VAL A 135 18.652 9.378 -17.646 1.00 41.45 H new ATOM 0 HG22 VAL A 135 17.334 8.407 -18.345 1.00 41.45 H new ATOM 0 HG23 VAL A 135 17.576 10.090 -18.872 1.00 41.45 H new ATOM 322 N THR A 136 15.461 10.602 -19.758 1.00 24.10 N ATOM 323 CA THR A 136 15.403 11.516 -20.891 1.00 52.42 C ATOM 324 C THR A 136 13.962 11.889 -21.223 1.00 63.44 C ATOM 325 O THR A 136 13.740 12.902 -21.884 1.00 12.44 O ATOM 326 CB THR A 136 16.064 10.905 -22.141 1.00 3.51 C ATOM 327 OG1 THR A 136 17.185 10.100 -21.758 1.00 13.10 O ATOM 328 CG2 THR A 136 16.521 11.995 -23.099 1.00 53.31 C ATOM 0 H THR A 136 15.768 9.658 -19.993 1.00 24.10 H new ATOM 0 HA THR A 136 15.951 12.413 -20.602 1.00 52.42 H new ATOM 0 HB THR A 136 15.326 10.283 -22.648 1.00 3.51 H new ATOM 0 HG1 THR A 136 17.599 9.714 -22.558 1.00 13.10 H new ATOM 0 HG21 THR A 136 16.985 11.539 -23.974 1.00 53.31 H new ATOM 0 HG22 THR A 136 15.662 12.589 -23.411 1.00 53.31 H new ATOM 0 HG23 THR A 136 17.244 12.639 -22.599 1.00 53.31 H new ATOM 336 N CYS A 137 13.026 11.072 -20.764 1.00 71.52 N ATOM 337 CA CYS A 137 11.619 11.328 -21.019 1.00 75.42 C ATOM 338 C CYS A 137 11.040 12.072 -19.814 1.00 75.52 C ATOM 339 O CYS A 137 10.044 12.789 -19.908 1.00 43.01 O ATOM 340 CB CYS A 137 10.853 10.036 -21.314 1.00 50.25 C ATOM 341 SG CYS A 137 11.154 9.511 -23.041 1.00 65.23 S ATOM 0 H CYS A 137 13.214 10.232 -20.217 1.00 71.52 H new ATOM 0 HA CYS A 137 11.515 11.946 -21.911 1.00 75.42 H new ATOM 0 HB2 CYS A 137 11.168 9.251 -20.626 1.00 50.25 H new ATOM 0 HB3 CYS A 137 9.786 10.191 -21.153 1.00 50.25 H new ATOM 0 HG CYS A 137 10.501 8.413 -23.281 1.00 65.23 H new ATOM 346 N GLU A 138 11.691 11.882 -18.671 1.00 10.11 N ATOM 347 CA GLU A 138 11.262 12.522 -17.433 1.00 33.11 C ATOM 348 C GLU A 138 9.906 11.984 -16.984 1.00 23.51 C ATOM 349 O GLU A 138 9.108 12.703 -16.383 1.00 21.20 O ATOM 350 CB GLU A 138 11.185 14.039 -17.617 1.00 33.03 C ATOM 351 CG GLU A 138 11.729 14.824 -16.435 1.00 63.30 C ATOM 352 CD GLU A 138 11.688 16.323 -16.661 1.00 72.51 C ATOM 353 OE1 GLU A 138 11.246 16.747 -17.749 1.00 44.03 O ATOM 354 OE2 GLU A 138 12.097 17.071 -15.749 1.00 31.02 O ATOM 0 H GLU A 138 12.517 11.291 -18.576 1.00 10.11 H new ATOM 0 HA GLU A 138 11.998 12.294 -16.662 1.00 33.11 H new ATOM 0 HB2 GLU A 138 11.740 14.316 -18.513 1.00 33.03 H new ATOM 0 HB3 GLU A 138 10.146 14.324 -17.785 1.00 33.03 H new ATOM 0 HG2 GLU A 138 11.151 14.579 -15.544 1.00 63.30 H new ATOM 0 HG3 GLU A 138 12.757 14.517 -16.242 1.00 63.30 H new ATOM 361 N VAL A 139 9.653 10.713 -17.281 1.00 20.34 N ATOM 362 CA VAL A 139 8.395 10.077 -16.908 1.00 22.43 C ATOM 363 C VAL A 139 8.585 8.583 -16.668 1.00 13.14 C ATOM 364 O VAL A 139 9.482 7.962 -17.236 1.00 64.50 O ATOM 365 CB VAL A 139 7.321 10.279 -17.993 1.00 32.24 C ATOM 366 CG1 VAL A 139 5.970 9.777 -17.507 1.00 32.44 C ATOM 367 CG2 VAL A 139 7.241 11.743 -18.396 1.00 53.41 C ATOM 0 H VAL A 139 10.302 10.104 -17.779 1.00 20.34 H new ATOM 0 HA VAL A 139 8.062 10.551 -15.985 1.00 22.43 H new ATOM 0 HB VAL A 139 7.603 9.698 -18.871 1.00 32.24 H new ATOM 0 HG11 VAL A 139 5.224 9.928 -18.287 1.00 32.44 H new ATOM 0 HG12 VAL A 139 6.040 8.715 -17.272 1.00 32.44 H new ATOM 0 HG13 VAL A 139 5.677 10.328 -16.613 1.00 32.44 H new ATOM 0 HG21 VAL A 139 6.477 11.868 -19.164 1.00 53.41 H new ATOM 0 HG22 VAL A 139 6.983 12.346 -17.526 1.00 53.41 H new ATOM 0 HG23 VAL A 139 8.205 12.066 -18.788 1.00 53.41 H new ATOM 377 N SER A 140 7.733 8.012 -15.822 1.00 54.40 N ATOM 378 CA SER A 140 7.808 6.591 -15.504 1.00 12.43 C ATOM 379 C SER A 140 6.709 5.815 -16.222 1.00 75.20 C ATOM 380 O SER A 140 5.523 6.107 -16.065 1.00 73.23 O ATOM 381 CB SER A 140 7.694 6.379 -13.993 1.00 22.11 C ATOM 382 OG SER A 140 7.954 5.030 -13.647 1.00 33.53 O ATOM 0 H SER A 140 6.983 8.512 -15.345 1.00 54.40 H new ATOM 0 HA SER A 140 8.774 6.218 -15.845 1.00 12.43 H new ATOM 0 HB2 SER A 140 8.397 7.032 -13.477 1.00 22.11 H new ATOM 0 HB3 SER A 140 6.695 6.658 -13.658 1.00 22.11 H new ATOM 0 HG SER A 140 8.881 4.807 -13.874 1.00 33.53 H new ATOM 388 N TYR A 141 7.111 4.824 -17.010 1.00 42.42 N ATOM 389 CA TYR A 141 6.162 4.006 -17.755 1.00 52.35 C ATOM 390 C TYR A 141 6.440 2.521 -17.546 1.00 3.13 C ATOM 391 O TYR A 141 7.402 2.178 -16.860 1.00 1.42 O ATOM 392 CB TYR A 141 6.226 4.343 -19.246 1.00 43.21 C ATOM 393 CG TYR A 141 5.789 5.755 -19.567 1.00 63.44 C ATOM 394 CD1 TYR A 141 4.710 6.335 -18.912 1.00 21.31 C ATOM 395 CD2 TYR A 141 6.455 6.508 -20.527 1.00 34.42 C ATOM 396 CE1 TYR A 141 4.307 7.624 -19.203 1.00 33.45 C ATOM 397 CE2 TYR A 141 6.059 7.798 -20.823 1.00 22.32 C ATOM 398 CZ TYR A 141 4.985 8.351 -20.158 1.00 53.13 C ATOM 399 OH TYR A 141 4.587 9.635 -20.451 1.00 52.43 O ATOM 0 H TYR A 141 8.088 4.568 -17.149 1.00 42.42 H new ATOM 0 HA TYR A 141 5.162 4.226 -17.382 1.00 52.35 H new ATOM 0 HB2 TYR A 141 7.247 4.198 -19.599 1.00 43.21 H new ATOM 0 HB3 TYR A 141 5.597 3.643 -19.796 1.00 43.21 H new ATOM 0 HD1 TYR A 141 4.177 5.769 -18.163 1.00 21.31 H new ATOM 0 HD2 TYR A 141 7.296 6.077 -21.050 1.00 34.42 H new ATOM 0 HE1 TYR A 141 3.465 8.060 -18.685 1.00 33.45 H new ATOM 0 HE2 TYR A 141 6.588 8.370 -21.571 1.00 22.32 H new ATOM 0 HH TYR A 141 3.614 9.657 -20.569 1.00 52.43 H new ATOM 409 N CYS A 142 5.602 1.681 -18.135 1.00 51.42 N ATOM 410 CA CYS A 142 5.768 0.244 -18.006 1.00 63.23 C ATOM 411 C CYS A 142 6.502 -0.268 -19.247 1.00 61.15 C ATOM 412 O CYS A 142 6.792 0.474 -20.186 1.00 60.33 O ATOM 413 CB CYS A 142 4.428 -0.465 -17.803 1.00 53.00 C ATOM 414 SG CYS A 142 3.482 -0.476 -19.369 1.00 54.25 S ATOM 0 H CYS A 142 4.805 1.969 -18.703 1.00 51.42 H new ATOM 0 HA CYS A 142 6.359 0.022 -17.118 1.00 63.23 H new ATOM 0 HB2 CYS A 142 4.596 -1.487 -17.463 1.00 53.00 H new ATOM 0 HB3 CYS A 142 3.854 0.040 -17.026 1.00 53.00 H new ATOM 0 HG CYS A 142 2.258 -0.102 -19.139 1.00 54.25 H new ATOM 419 N ASP A 143 6.798 -1.563 -19.231 1.00 33.13 N ATOM 420 CA ASP A 143 7.495 -2.203 -20.340 1.00 41.54 C ATOM 421 C ASP A 143 6.710 -2.044 -21.639 1.00 22.41 C ATOM 422 O ASP A 143 7.274 -1.700 -22.677 1.00 74.22 O ATOM 423 CB ASP A 143 7.719 -3.686 -20.043 1.00 3.12 C ATOM 424 CG ASP A 143 8.764 -4.307 -20.949 1.00 51.13 C ATOM 425 OD1 ASP A 143 9.020 -3.742 -22.033 1.00 1.43 O ATOM 426 OD2 ASP A 143 9.325 -5.359 -20.576 1.00 15.33 O ATOM 0 H ASP A 143 6.566 -2.191 -18.461 1.00 33.13 H new ATOM 0 HA ASP A 143 8.462 -1.715 -20.459 1.00 41.54 H new ATOM 0 HB2 ASP A 143 8.028 -3.803 -19.004 1.00 3.12 H new ATOM 0 HB3 ASP A 143 6.777 -4.223 -20.158 1.00 3.12 H new ATOM 431 N GLU A 144 5.407 -2.300 -21.572 1.00 2.53 N ATOM 432 CA GLU A 144 4.546 -2.187 -22.743 1.00 62.12 C ATOM 433 C GLU A 144 4.716 -0.827 -23.415 1.00 21.42 C ATOM 434 O GLU A 144 5.216 -0.768 -24.537 1.00 4.31 O ATOM 435 CB GLU A 144 3.082 -2.394 -22.349 1.00 62.34 C ATOM 436 CG GLU A 144 2.204 -2.866 -23.496 1.00 43.13 C ATOM 437 CD GLU A 144 1.194 -1.820 -23.926 1.00 10.00 C ATOM 438 OE1 GLU A 144 0.280 -1.515 -23.132 1.00 21.45 O ATOM 439 OE2 GLU A 144 1.318 -1.306 -25.057 1.00 50.14 O ATOM 0 H GLU A 144 4.925 -2.587 -20.720 1.00 2.53 H new ATOM 0 HA GLU A 144 4.837 -2.962 -23.452 1.00 62.12 H new ATOM 0 HB2 GLU A 144 3.032 -3.123 -21.540 1.00 62.34 H new ATOM 0 HB3 GLU A 144 2.683 -1.457 -21.959 1.00 62.34 H new ATOM 0 HG2 GLU A 144 2.834 -3.129 -24.346 1.00 43.13 H new ATOM 0 HG3 GLU A 144 1.678 -3.772 -23.197 1.00 43.13 H new ATOM 446 N CYS A 145 4.300 0.222 -22.722 1.00 1.42 N ATOM 447 CA CYS A 145 4.411 1.567 -23.261 1.00 60.02 C ATOM 448 C CYS A 145 5.861 1.793 -23.694 1.00 70.32 C ATOM 449 O CYS A 145 6.148 2.265 -24.795 1.00 2.11 O ATOM 450 CB CYS A 145 3.945 2.621 -22.254 1.00 65.33 C ATOM 451 SG CYS A 145 2.222 2.280 -21.744 1.00 35.23 S ATOM 0 H CYS A 145 3.885 0.168 -21.792 1.00 1.42 H new ATOM 0 HA CYS A 145 3.754 1.670 -24.125 1.00 60.02 H new ATOM 0 HB2 CYS A 145 4.599 2.617 -21.382 1.00 65.33 H new ATOM 0 HB3 CYS A 145 4.012 3.614 -22.698 1.00 65.33 H new ATOM 0 HG CYS A 145 1.588 3.403 -21.578 1.00 35.23 H new ATOM 456 N LEU A 146 6.776 1.442 -22.797 1.00 51.11 N ATOM 457 CA LEU A 146 8.203 1.595 -23.060 1.00 13.15 C ATOM 458 C LEU A 146 8.574 0.999 -24.414 1.00 4.44 C ATOM 459 O LEU A 146 9.516 1.451 -25.066 1.00 22.35 O ATOM 460 CB LEU A 146 9.020 0.925 -21.953 1.00 55.12 C ATOM 461 CG LEU A 146 10.539 1.027 -22.086 1.00 4.14 C ATOM 462 CD1 LEU A 146 11.078 2.147 -21.208 1.00 73.24 C ATOM 463 CD2 LEU A 146 11.196 -0.298 -21.726 1.00 2.45 C ATOM 0 H LEU A 146 6.556 1.050 -21.882 1.00 51.11 H new ATOM 0 HA LEU A 146 8.432 2.660 -23.078 1.00 13.15 H new ATOM 0 HB2 LEU A 146 8.729 1.363 -20.998 1.00 55.12 H new ATOM 0 HB3 LEU A 146 8.748 -0.130 -21.916 1.00 55.12 H new ATOM 0 HG LEU A 146 10.779 1.259 -23.124 1.00 4.14 H new ATOM 0 HD11 LEU A 146 12.161 2.205 -21.316 1.00 73.24 H new ATOM 0 HD12 LEU A 146 10.632 3.094 -21.512 1.00 73.24 H new ATOM 0 HD13 LEU A 146 10.827 1.946 -20.167 1.00 73.24 H new ATOM 0 HD21 LEU A 146 12.278 -0.207 -21.826 1.00 2.45 H new ATOM 0 HD22 LEU A 146 10.948 -0.560 -20.697 1.00 2.45 H new ATOM 0 HD23 LEU A 146 10.834 -1.078 -22.396 1.00 2.45 H new ATOM 475 N LYS A 147 7.827 -0.016 -24.833 1.00 31.25 N ATOM 476 CA LYS A 147 8.074 -0.673 -26.111 1.00 3.43 C ATOM 477 C LYS A 147 7.691 0.237 -27.273 1.00 55.51 C ATOM 478 O LYS A 147 8.413 0.331 -28.265 1.00 75.42 O ATOM 479 CB LYS A 147 7.289 -1.983 -26.195 1.00 31.43 C ATOM 480 CG LYS A 147 7.875 -2.982 -27.178 1.00 0.21 C ATOM 481 CD LYS A 147 6.934 -4.152 -27.412 1.00 42.33 C ATOM 482 CE LYS A 147 6.010 -3.896 -28.592 1.00 55.45 C ATOM 483 NZ LYS A 147 6.666 -4.215 -29.891 1.00 34.14 N ATOM 0 H LYS A 147 7.044 -0.402 -24.305 1.00 31.25 H new ATOM 0 HA LYS A 147 9.140 -0.891 -26.179 1.00 3.43 H new ATOM 0 HB2 LYS A 147 7.252 -2.439 -25.206 1.00 31.43 H new ATOM 0 HB3 LYS A 147 6.261 -1.763 -26.483 1.00 31.43 H new ATOM 0 HG2 LYS A 147 8.080 -2.484 -28.126 1.00 0.21 H new ATOM 0 HG3 LYS A 147 8.828 -3.351 -26.799 1.00 0.21 H new ATOM 0 HD2 LYS A 147 7.514 -5.057 -27.593 1.00 42.33 H new ATOM 0 HD3 LYS A 147 6.340 -4.328 -26.515 1.00 42.33 H new ATOM 0 HE2 LYS A 147 5.108 -4.498 -28.484 1.00 55.45 H new ATOM 0 HE3 LYS A 147 5.699 -2.851 -28.589 1.00 55.45 H new ATOM 0 HZ1 LYS A 147 6.003 -4.027 -30.670 1.00 34.14 H new ATOM 0 HZ2 LYS A 147 7.513 -3.623 -30.007 1.00 34.14 H new ATOM 0 HZ3 LYS A 147 6.940 -5.218 -29.904 1.00 34.14 H new ATOM 497 N ALA A 148 6.550 0.908 -27.142 1.00 64.24 N ATOM 498 CA ALA A 148 6.073 1.813 -28.180 1.00 42.14 C ATOM 499 C ALA A 148 6.874 3.111 -28.187 1.00 55.11 C ATOM 500 O ALA A 148 7.212 3.639 -29.247 1.00 63.10 O ATOM 501 CB ALA A 148 4.593 2.105 -27.986 1.00 74.35 C ATOM 0 H ALA A 148 5.940 0.841 -26.327 1.00 64.24 H new ATOM 0 HA ALA A 148 6.212 1.325 -29.145 1.00 42.14 H new ATOM 0 HB1 ALA A 148 4.250 2.782 -28.768 1.00 74.35 H new ATOM 0 HB2 ALA A 148 4.028 1.174 -28.039 1.00 74.35 H new ATOM 0 HB3 ALA A 148 4.438 2.568 -27.012 1.00 74.35 H new ATOM 507 N THR A 149 7.173 3.623 -26.997 1.00 61.41 N ATOM 508 CA THR A 149 7.932 4.860 -26.866 1.00 71.11 C ATOM 509 C THR A 149 9.383 4.662 -27.288 1.00 4.03 C ATOM 510 O THR A 149 9.954 5.493 -27.995 1.00 53.13 O ATOM 511 CB THR A 149 7.897 5.390 -25.420 1.00 71.02 C ATOM 512 OG1 THR A 149 8.692 4.553 -24.572 1.00 52.44 O ATOM 513 CG2 THR A 149 6.469 5.441 -24.897 1.00 24.32 C ATOM 0 H THR A 149 6.901 3.200 -26.110 1.00 61.41 H new ATOM 0 HA THR A 149 7.462 5.591 -27.524 1.00 71.11 H new ATOM 0 HB THR A 149 8.305 6.401 -25.417 1.00 71.02 H new ATOM 0 HG1 THR A 149 8.666 4.897 -23.655 1.00 52.44 H new ATOM 0 HG21 THR A 149 6.469 5.818 -23.874 1.00 24.32 H new ATOM 0 HG22 THR A 149 5.874 6.102 -25.527 1.00 24.32 H new ATOM 0 HG23 THR A 149 6.039 4.439 -24.914 1.00 24.32 H new ATOM 521 N HIS A 150 9.977 3.556 -26.850 1.00 14.04 N ATOM 522 CA HIS A 150 11.363 3.248 -27.183 1.00 52.54 C ATOM 523 C HIS A 150 11.438 2.104 -28.190 1.00 2.32 C ATOM 524 O HIS A 150 11.521 0.931 -27.827 1.00 75.40 O ATOM 525 CB HIS A 150 12.145 2.885 -25.921 1.00 11.11 C ATOM 526 CG HIS A 150 12.228 4.001 -24.926 1.00 2.42 C ATOM 527 ND1 HIS A 150 13.027 3.951 -23.803 1.00 30.30 N ATOM 528 CD2 HIS A 150 11.608 5.204 -24.890 1.00 70.05 C ATOM 529 CE1 HIS A 150 12.893 5.073 -23.119 1.00 62.01 C ATOM 530 NE2 HIS A 150 12.038 5.851 -23.758 1.00 31.20 N ATOM 0 H HIS A 150 9.520 2.858 -26.263 1.00 14.04 H new ATOM 0 HA HIS A 150 11.808 4.135 -27.634 1.00 52.54 H new ATOM 0 HB2 HIS A 150 11.676 2.022 -25.448 1.00 11.11 H new ATOM 0 HB3 HIS A 150 13.154 2.585 -26.203 1.00 11.11 H new ATOM 0 HD2 HIS A 150 10.906 5.584 -25.617 1.00 70.05 H new ATOM 0 HE1 HIS A 150 13.397 5.313 -22.194 1.00 62.01 H new ATOM 0 HE2 HIS A 150 11.745 6.781 -23.459 1.00 31.20 H new ATOM 664 N HIS A 159 17.923 5.661 -26.105 1.00 24.21 N ATOM 665 CA HIS A 159 17.343 6.323 -24.943 1.00 13.44 C ATOM 666 C HIS A 159 18.013 5.850 -23.656 1.00 52.12 C ATOM 667 O HIS A 159 18.310 4.666 -23.499 1.00 71.22 O ATOM 668 CB HIS A 159 15.839 6.057 -24.876 1.00 34.12 C ATOM 669 CG HIS A 159 15.013 7.115 -25.541 1.00 33.33 C ATOM 670 ND1 HIS A 159 13.896 7.676 -24.957 1.00 64.51 N ATOM 671 CD2 HIS A 159 15.147 7.715 -26.746 1.00 41.23 C ATOM 672 CE1 HIS A 159 13.379 8.574 -25.776 1.00 32.03 C ATOM 673 NE2 HIS A 159 14.119 8.618 -26.868 1.00 64.35 N ATOM 0 HA HIS A 159 17.511 7.395 -25.046 1.00 13.44 H new ATOM 0 HB2 HIS A 159 15.627 5.095 -25.343 1.00 34.12 H new ATOM 0 HB3 HIS A 159 15.539 5.977 -23.831 1.00 34.12 H new ATOM 0 HD1 HIS A 159 13.527 7.435 -24.037 1.00 64.51 H new ATOM 0 HD2 HIS A 159 15.919 7.520 -27.476 1.00 41.23 H new ATOM 0 HE1 HIS A 159 12.500 9.171 -25.585 1.00 32.03 H new ATOM 680 N ARG A 160 18.248 6.783 -22.740 1.00 4.14 N ATOM 681 CA ARG A 160 18.885 6.461 -21.468 1.00 42.51 C ATOM 682 C ARG A 160 17.848 6.343 -20.355 1.00 60.23 C ATOM 683 O ARG A 160 16.904 7.131 -20.285 1.00 70.11 O ATOM 684 CB ARG A 160 19.918 7.530 -21.106 1.00 12.53 C ATOM 685 CG ARG A 160 21.235 7.382 -21.849 1.00 61.32 C ATOM 686 CD ARG A 160 22.196 8.510 -21.510 1.00 45.24 C ATOM 687 NE ARG A 160 21.691 9.809 -21.947 1.00 3.23 N ATOM 688 CZ ARG A 160 22.373 10.943 -21.821 1.00 74.42 C ATOM 689 NH1 ARG A 160 23.581 10.937 -21.276 1.00 20.43 N ATOM 690 NH2 ARG A 160 21.845 12.085 -22.242 1.00 44.14 N ATOM 0 H ARG A 160 18.007 7.768 -22.854 1.00 4.14 H new ATOM 0 HA ARG A 160 19.388 5.500 -21.575 1.00 42.51 H new ATOM 0 HB2 ARG A 160 19.500 8.514 -21.318 1.00 12.53 H new ATOM 0 HB3 ARG A 160 20.109 7.490 -20.034 1.00 12.53 H new ATOM 0 HG2 ARG A 160 21.691 6.425 -21.595 1.00 61.32 H new ATOM 0 HG3 ARG A 160 21.049 7.372 -22.923 1.00 61.32 H new ATOM 0 HD2 ARG A 160 22.366 8.530 -20.433 1.00 45.24 H new ATOM 0 HD3 ARG A 160 23.160 8.319 -21.981 1.00 45.24 H new ATOM 0 HE ARG A 160 20.765 9.848 -22.372 1.00 3.23 H new ATOM 0 HH11 ARG A 160 23.990 10.061 -20.952 1.00 20.43 H new ATOM 0 HH12 ARG A 160 24.102 11.809 -21.181 1.00 20.43 H new ATOM 0 HH21 ARG A 160 20.916 12.093 -22.662 1.00 44.14 H new ATOM 0 HH22 ARG A 160 22.368 12.955 -22.145 1.00 44.14 H new ATOM 704 N LEU A 161 18.029 5.353 -19.488 1.00 4.21 N ATOM 705 CA LEU A 161 17.109 5.130 -18.378 1.00 3.41 C ATOM 706 C LEU A 161 17.861 4.679 -17.130 1.00 30.12 C ATOM 707 O LEU A 161 19.091 4.625 -17.120 1.00 1.34 O ATOM 708 CB LEU A 161 16.060 4.085 -18.761 1.00 41.43 C ATOM 709 CG LEU A 161 15.332 4.320 -20.085 1.00 61.43 C ATOM 710 CD1 LEU A 161 16.134 3.747 -21.244 1.00 34.32 C ATOM 711 CD2 LEU A 161 13.939 3.708 -20.044 1.00 24.43 C ATOM 0 H LEU A 161 18.804 4.692 -19.532 1.00 4.21 H new ATOM 0 HA LEU A 161 16.609 6.073 -18.158 1.00 3.41 H new ATOM 0 HB2 LEU A 161 16.546 3.110 -18.804 1.00 41.43 H new ATOM 0 HB3 LEU A 161 15.317 4.036 -17.965 1.00 41.43 H new ATOM 0 HG LEU A 161 15.231 5.395 -20.236 1.00 61.43 H new ATOM 0 HD11 LEU A 161 15.601 3.924 -22.178 1.00 34.32 H new ATOM 0 HD12 LEU A 161 17.110 4.231 -21.286 1.00 34.32 H new ATOM 0 HD13 LEU A 161 16.267 2.675 -21.099 1.00 34.32 H new ATOM 0 HD21 LEU A 161 13.436 3.885 -20.995 1.00 24.43 H new ATOM 0 HD22 LEU A 161 14.018 2.635 -19.870 1.00 24.43 H new ATOM 0 HD23 LEU A 161 13.364 4.165 -19.239 1.00 24.43 H new ATOM 723 N ILE A 162 17.113 4.353 -16.081 1.00 4.54 N ATOM 724 CA ILE A 162 17.709 3.903 -14.829 1.00 3.31 C ATOM 725 C ILE A 162 17.990 2.405 -14.861 1.00 63.15 C ATOM 726 O ILE A 162 17.309 1.651 -15.555 1.00 52.02 O ATOM 727 CB ILE A 162 16.799 4.217 -13.627 1.00 11.40 C ATOM 728 CG1 ILE A 162 16.318 5.669 -13.689 1.00 73.54 C ATOM 729 CG2 ILE A 162 17.535 3.953 -12.322 1.00 12.41 C ATOM 730 CD1 ILE A 162 15.346 6.031 -12.588 1.00 73.34 C ATOM 0 H ILE A 162 16.094 4.392 -16.073 1.00 4.54 H new ATOM 0 HA ILE A 162 18.648 4.444 -14.715 1.00 3.31 H new ATOM 0 HB ILE A 162 15.928 3.563 -13.669 1.00 11.40 H new ATOM 0 HG12 ILE A 162 17.181 6.332 -13.633 1.00 73.54 H new ATOM 0 HG13 ILE A 162 15.843 5.845 -14.654 1.00 73.54 H new ATOM 0 HG21 ILE A 162 16.879 4.180 -11.482 1.00 12.41 H new ATOM 0 HG22 ILE A 162 17.833 2.905 -12.278 1.00 12.41 H new ATOM 0 HG23 ILE A 162 18.422 4.585 -12.270 1.00 12.41 H new ATOM 0 HD11 ILE A 162 15.048 7.074 -12.694 1.00 73.34 H new ATOM 0 HD12 ILE A 162 14.465 5.393 -12.656 1.00 73.34 H new ATOM 0 HD13 ILE A 162 15.824 5.887 -11.619 1.00 73.34 H new ATOM 894 N LEU A 173 24.752 -4.651 -8.931 1.00 33.11 N ATOM 895 CA LEU A 173 24.770 -3.706 -10.042 1.00 4.11 C ATOM 896 C LEU A 173 25.087 -2.296 -9.552 1.00 75.34 C ATOM 897 O LEU A 173 24.734 -1.923 -8.434 1.00 35.40 O ATOM 898 CB LEU A 173 23.424 -3.716 -10.768 1.00 43.14 C ATOM 899 CG LEU A 173 22.984 -5.061 -11.348 1.00 45.43 C ATOM 900 CD1 LEU A 173 21.633 -5.469 -10.784 1.00 13.03 C ATOM 901 CD2 LEU A 173 22.932 -4.995 -12.868 1.00 0.33 C ATOM 0 HA LEU A 173 25.552 -4.014 -10.736 1.00 4.11 H new ATOM 0 HB2 LEU A 173 22.657 -3.374 -10.073 1.00 43.14 H new ATOM 0 HB3 LEU A 173 23.466 -2.989 -11.579 1.00 43.14 H new ATOM 0 HG LEU A 173 23.717 -5.816 -11.062 1.00 45.43 H new ATOM 0 HD11 LEU A 173 21.336 -6.428 -11.208 1.00 13.03 H new ATOM 0 HD12 LEU A 173 21.703 -5.558 -9.700 1.00 13.03 H new ATOM 0 HD13 LEU A 173 20.889 -4.714 -11.039 1.00 13.03 H new ATOM 0 HD21 LEU A 173 22.617 -5.961 -13.264 1.00 0.33 H new ATOM 0 HD22 LEU A 173 22.221 -4.228 -13.175 1.00 0.33 H new ATOM 0 HD23 LEU A 173 23.921 -4.749 -13.256 1.00 0.33 H new ATOM 913 N MET A 174 25.752 -1.517 -10.399 1.00 11.14 N ATOM 914 CA MET A 174 26.112 -0.147 -10.053 1.00 3.32 C ATOM 915 C MET A 174 25.318 0.852 -10.889 1.00 62.31 C ATOM 916 O MET A 174 24.679 0.449 -11.860 1.00 43.31 O ATOM 917 CB MET A 174 27.612 0.076 -10.259 1.00 13.33 C ATOM 918 CG MET A 174 28.390 0.212 -8.960 1.00 51.10 C ATOM 919 SD MET A 174 30.172 0.088 -9.202 1.00 64.11 S ATOM 920 CE MET A 174 30.686 -0.558 -7.612 1.00 72.04 C ATOM 0 H MET A 174 26.052 -1.811 -11.329 1.00 11.14 H new ATOM 0 HA MET A 174 25.869 0.012 -9.002 1.00 3.32 H new ATOM 0 HB2 MET A 174 28.020 -0.757 -10.832 1.00 13.33 H new ATOM 0 HB3 MET A 174 27.759 0.976 -10.857 1.00 13.33 H new ATOM 0 HG2 MET A 174 28.156 1.172 -8.499 1.00 51.10 H new ATOM 0 HG3 MET A 174 28.067 -0.563 -8.265 1.00 51.10 H new ATOM 0 HE1 MET A 174 31.738 -0.840 -7.657 1.00 72.04 H new ATOM 0 HE2 MET A 174 30.547 0.206 -6.847 1.00 72.04 H new ATOM 0 HE3 MET A 174 30.086 -1.434 -7.364 1.00 72.04 H new ATOM 930 N CYS A 175 25.374 2.117 -10.500 1.00 21.14 N ATOM 931 CA CYS A 175 24.657 3.154 -11.221 1.00 12.40 C ATOM 932 C CYS A 175 25.294 3.307 -12.604 1.00 22.45 C ATOM 933 O CYS A 175 26.254 2.622 -12.959 1.00 45.13 O ATOM 934 CB CYS A 175 24.645 4.475 -10.449 1.00 44.42 C ATOM 935 SG CYS A 175 22.966 5.201 -10.476 1.00 12.51 S ATOM 0 H CYS A 175 25.905 2.447 -9.694 1.00 21.14 H new ATOM 0 HA CYS A 175 23.612 2.865 -11.334 1.00 12.40 H new ATOM 0 HB2 CYS A 175 24.961 4.307 -9.419 1.00 44.42 H new ATOM 0 HB3 CYS A 175 25.358 5.171 -10.891 1.00 44.42 H new ATOM 0 HG CYS A 175 22.779 5.903 -9.398 1.00 12.51 H new ATOM 940 N LEU A 176 24.735 4.227 -13.381 1.00 73.44 N ATOM 941 CA LEU A 176 25.227 4.492 -14.729 1.00 24.13 C ATOM 942 C LEU A 176 26.684 4.943 -14.697 1.00 22.33 C ATOM 943 O LEU A 176 27.559 4.285 -15.259 1.00 42.42 O ATOM 944 CB LEU A 176 24.366 5.559 -15.407 1.00 62.31 C ATOM 945 CG LEU A 176 23.424 5.063 -16.505 1.00 24.31 C ATOM 946 CD1 LEU A 176 21.976 5.168 -16.053 1.00 40.24 C ATOM 947 CD2 LEU A 176 23.643 5.848 -17.790 1.00 31.20 C ATOM 0 H LEU A 176 23.941 4.802 -13.101 1.00 73.44 H new ATOM 0 HA LEU A 176 25.164 3.566 -15.301 1.00 24.13 H new ATOM 0 HB2 LEU A 176 23.770 6.056 -14.642 1.00 62.31 H new ATOM 0 HB3 LEU A 176 25.027 6.312 -15.836 1.00 62.31 H new ATOM 0 HG LEU A 176 23.646 4.014 -16.702 1.00 24.31 H new ATOM 0 HD11 LEU A 176 21.320 4.811 -16.847 1.00 40.24 H new ATOM 0 HD12 LEU A 176 21.829 4.561 -15.160 1.00 40.24 H new ATOM 0 HD13 LEU A 176 21.740 6.208 -15.828 1.00 40.24 H new ATOM 0 HD21 LEU A 176 22.964 5.482 -18.560 1.00 31.20 H new ATOM 0 HD22 LEU A 176 23.449 6.905 -17.608 1.00 31.20 H new ATOM 0 HD23 LEU A 176 24.673 5.720 -18.123 1.00 31.20 H new ATOM 959 N GLU A 177 26.936 6.067 -14.033 1.00 61.31 N ATOM 960 CA GLU A 177 28.288 6.604 -13.927 1.00 73.21 C ATOM 961 C GLU A 177 28.607 6.992 -12.486 1.00 64.13 C ATOM 962 O GLU A 177 29.077 8.099 -12.219 1.00 70.51 O ATOM 963 CB GLU A 177 28.451 7.819 -14.842 1.00 54.23 C ATOM 964 CG GLU A 177 28.721 7.457 -16.293 1.00 74.10 C ATOM 965 CD GLU A 177 28.658 8.659 -17.216 1.00 23.52 C ATOM 966 OE1 GLU A 177 29.247 9.704 -16.870 1.00 61.11 O ATOM 967 OE2 GLU A 177 28.020 8.553 -18.284 1.00 64.33 O ATOM 0 H GLU A 177 26.223 6.623 -13.561 1.00 61.31 H new ATOM 0 HA GLU A 177 28.986 5.827 -14.239 1.00 73.21 H new ATOM 0 HB2 GLU A 177 27.547 8.426 -14.790 1.00 54.23 H new ATOM 0 HB3 GLU A 177 29.270 8.435 -14.472 1.00 54.23 H new ATOM 0 HG2 GLU A 177 29.705 6.995 -16.371 1.00 74.10 H new ATOM 0 HG3 GLU A 177 27.993 6.714 -16.620 1.00 74.10 H new ATOM 974 N HIS A 178 28.349 6.073 -11.561 1.00 10.21 N ATOM 975 CA HIS A 178 28.609 6.318 -10.147 1.00 11.32 C ATOM 976 C HIS A 178 29.206 5.082 -9.482 1.00 22.21 C ATOM 977 O HIS A 178 28.503 4.326 -8.812 1.00 63.12 O ATOM 978 CB HIS A 178 27.319 6.723 -9.432 1.00 43.22 C ATOM 979 CG HIS A 178 26.723 7.997 -9.948 1.00 70.42 C ATOM 980 ND1 HIS A 178 25.381 8.139 -10.231 1.00 70.45 N ATOM 981 CD2 HIS A 178 27.294 9.191 -10.230 1.00 70.14 C ATOM 982 CE1 HIS A 178 25.153 9.365 -10.667 1.00 74.42 C ATOM 983 NE2 HIS A 178 26.297 10.024 -10.676 1.00 21.25 N ATOM 0 H HIS A 178 27.960 5.152 -11.765 1.00 10.21 H new ATOM 0 HA HIS A 178 29.329 7.133 -10.072 1.00 11.32 H new ATOM 0 HB2 HIS A 178 26.588 5.921 -9.537 1.00 43.22 H new ATOM 0 HB3 HIS A 178 27.522 6.832 -8.367 1.00 43.22 H new ATOM 0 HD2 HIS A 178 28.339 9.442 -10.124 1.00 70.14 H new ATOM 0 HE1 HIS A 178 24.194 9.761 -10.965 1.00 74.42 H new ATOM 0 HE2 HIS A 178 26.420 10.994 -10.967 1.00 21.25 H new ATOM 990 N GLU A 179 30.507 4.883 -9.673 1.00 33.02 N ATOM 991 CA GLU A 179 31.197 3.737 -9.092 1.00 52.04 C ATOM 992 C GLU A 179 31.510 3.980 -7.619 1.00 33.54 C ATOM 993 O GLU A 179 31.543 3.045 -6.818 1.00 61.32 O ATOM 994 CB GLU A 179 32.490 3.450 -9.859 1.00 54.20 C ATOM 995 CG GLU A 179 33.418 4.649 -9.956 1.00 62.15 C ATOM 996 CD GLU A 179 34.824 4.338 -9.480 1.00 51.04 C ATOM 997 OE1 GLU A 179 35.601 3.754 -10.264 1.00 72.12 O ATOM 998 OE2 GLU A 179 35.147 4.680 -8.323 1.00 71.33 O ATOM 0 H GLU A 179 31.103 5.500 -10.225 1.00 33.02 H new ATOM 0 HA GLU A 179 30.538 2.872 -9.168 1.00 52.04 H new ATOM 0 HB2 GLU A 179 33.018 2.631 -9.371 1.00 54.20 H new ATOM 0 HB3 GLU A 179 32.239 3.113 -10.865 1.00 54.20 H new ATOM 0 HG2 GLU A 179 33.456 4.992 -10.990 1.00 62.15 H new ATOM 0 HG3 GLU A 179 33.011 5.468 -9.363 1.00 62.15 H new ATOM 1005 N ASP A 180 31.739 5.240 -7.268 1.00 53.34 N ATOM 1006 CA ASP A 180 32.049 5.607 -5.891 1.00 55.14 C ATOM 1007 C ASP A 180 30.827 5.433 -4.995 1.00 31.24 C ATOM 1008 O ASP A 180 30.951 5.335 -3.774 1.00 75.43 O ATOM 1009 CB ASP A 180 32.543 7.053 -5.825 1.00 62.12 C ATOM 1010 CG ASP A 180 32.740 7.533 -4.401 1.00 30.23 C ATOM 1011 OD1 ASP A 180 33.773 7.181 -3.794 1.00 42.41 O ATOM 1012 OD2 ASP A 180 31.860 8.259 -3.892 1.00 3.10 O ATOM 0 H ASP A 180 31.716 6.025 -7.918 1.00 53.34 H new ATOM 0 HA ASP A 180 32.838 4.945 -5.533 1.00 55.14 H new ATOM 0 HB2 ASP A 180 33.485 7.137 -6.367 1.00 62.12 H new ATOM 0 HB3 ASP A 180 31.826 7.702 -6.328 1.00 62.12 H new ATOM 1017 N GLU A 181 29.648 5.397 -5.609 1.00 24.52 N ATOM 1018 CA GLU A 181 28.405 5.236 -4.865 1.00 14.13 C ATOM 1019 C GLU A 181 27.490 4.221 -5.545 1.00 44.54 C ATOM 1020 O GLU A 181 27.035 4.435 -6.669 1.00 73.52 O ATOM 1021 CB GLU A 181 27.685 6.580 -4.735 1.00 3.44 C ATOM 1022 CG GLU A 181 27.285 6.921 -3.309 1.00 2.11 C ATOM 1023 CD GLU A 181 26.220 5.990 -2.763 1.00 63.44 C ATOM 1024 OE1 GLU A 181 25.163 5.852 -3.413 1.00 32.53 O ATOM 1025 OE2 GLU A 181 26.445 5.398 -1.686 1.00 44.35 O ATOM 0 H GLU A 181 29.528 5.477 -6.619 1.00 24.52 H new ATOM 0 HA GLU A 181 28.653 4.866 -3.870 1.00 14.13 H new ATOM 0 HB2 GLU A 181 28.332 7.368 -5.120 1.00 3.44 H new ATOM 0 HB3 GLU A 181 26.792 6.566 -5.360 1.00 3.44 H new ATOM 0 HG2 GLU A 181 28.165 6.875 -2.668 1.00 2.11 H new ATOM 0 HG3 GLU A 181 26.918 7.947 -3.274 1.00 2.11 H new ATOM 1032 N LYS A 182 27.227 3.116 -4.857 1.00 13.23 N ATOM 1033 CA LYS A 182 26.367 2.067 -5.392 1.00 51.40 C ATOM 1034 C LYS A 182 24.896 2.399 -5.161 1.00 60.20 C ATOM 1035 O LYS A 182 24.568 3.372 -4.482 1.00 52.03 O ATOM 1036 CB LYS A 182 26.705 0.722 -4.745 1.00 43.32 C ATOM 1037 CG LYS A 182 27.339 -0.271 -5.703 1.00 63.04 C ATOM 1038 CD LYS A 182 27.949 -1.450 -4.963 1.00 14.55 C ATOM 1039 CE LYS A 182 27.710 -2.757 -5.702 1.00 54.23 C ATOM 1040 NZ LYS A 182 28.936 -3.600 -5.748 1.00 70.33 N ATOM 0 H LYS A 182 27.597 2.923 -3.926 1.00 13.23 H new ATOM 0 HA LYS A 182 26.542 2.001 -6.466 1.00 51.40 H new ATOM 0 HB2 LYS A 182 27.383 0.891 -3.909 1.00 43.32 H new ATOM 0 HB3 LYS A 182 25.794 0.287 -4.334 1.00 43.32 H new ATOM 0 HG2 LYS A 182 26.587 -0.631 -6.405 1.00 63.04 H new ATOM 0 HG3 LYS A 182 28.109 0.229 -6.290 1.00 63.04 H new ATOM 0 HD2 LYS A 182 29.020 -1.290 -4.842 1.00 14.55 H new ATOM 0 HD3 LYS A 182 27.521 -1.513 -3.962 1.00 14.55 H new ATOM 0 HE2 LYS A 182 26.908 -3.309 -5.213 1.00 54.23 H new ATOM 0 HE3 LYS A 182 27.377 -2.544 -6.718 1.00 54.23 H new ATOM 0 HZ1 LYS A 182 28.666 -4.604 -5.772 1.00 70.33 H new ATOM 0 HZ2 LYS A 182 29.485 -3.369 -6.601 1.00 70.33 H new ATOM 0 HZ3 LYS A 182 29.515 -3.417 -4.904 1.00 70.33 H new ATOM 1054 N VAL A 183 24.014 1.582 -5.729 1.00 12.43 N ATOM 1055 CA VAL A 183 22.578 1.788 -5.582 1.00 72.42 C ATOM 1056 C VAL A 183 22.083 1.269 -4.237 1.00 31.51 C ATOM 1057 O VAL A 183 22.179 0.077 -3.947 1.00 20.04 O ATOM 1058 CB VAL A 183 21.793 1.090 -6.709 1.00 63.03 C ATOM 1059 CG1 VAL A 183 22.034 1.788 -8.039 1.00 43.11 C ATOM 1060 CG2 VAL A 183 22.175 -0.380 -6.793 1.00 22.23 C ATOM 0 H VAL A 183 24.269 0.772 -6.295 1.00 12.43 H new ATOM 0 HA VAL A 183 22.405 2.863 -5.640 1.00 72.42 H new ATOM 0 HB VAL A 183 20.729 1.153 -6.480 1.00 63.03 H new ATOM 0 HG11 VAL A 183 21.472 1.281 -8.823 1.00 43.11 H new ATOM 0 HG12 VAL A 183 21.706 2.825 -7.970 1.00 43.11 H new ATOM 0 HG13 VAL A 183 23.097 1.758 -8.278 1.00 43.11 H new ATOM 0 HG21 VAL A 183 21.611 -0.857 -7.594 1.00 22.23 H new ATOM 0 HG22 VAL A 183 23.242 -0.468 -6.998 1.00 22.23 H new ATOM 0 HG23 VAL A 183 21.946 -0.870 -5.847 1.00 22.23 H new ATOM 1070 N ASN A 184 21.552 2.172 -3.419 1.00 63.02 N ATOM 1071 CA ASN A 184 21.042 1.805 -2.103 1.00 54.32 C ATOM 1072 C ASN A 184 19.736 2.536 -1.803 1.00 61.35 C ATOM 1073 O ASN A 184 19.330 2.652 -0.648 1.00 14.12 O ATOM 1074 CB ASN A 184 22.078 2.125 -1.024 1.00 14.52 C ATOM 1075 CG ASN A 184 22.378 0.932 -0.138 1.00 74.41 C ATOM 1076 OD1 ASN A 184 21.539 0.048 0.036 1.00 34.34 O ATOM 1077 ND2 ASN A 184 23.579 0.901 0.426 1.00 2.04 N ATOM 0 H ASN A 184 21.464 3.163 -3.644 1.00 63.02 H new ATOM 0 HA ASN A 184 20.846 0.733 -2.102 1.00 54.32 H new ATOM 0 HB2 ASN A 184 23.000 2.463 -1.498 1.00 14.52 H new ATOM 0 HB3 ASN A 184 21.715 2.949 -0.409 1.00 14.52 H new ATOM 0 HD21 ASN A 184 23.838 0.122 1.032 1.00 2.04 H new ATOM 0 HD22 ASN A 184 24.243 1.656 0.254 1.00 2.04 H new ATOM 1084 N MET A 185 19.084 3.025 -2.853 1.00 10.31 N ATOM 1085 CA MET A 185 17.823 3.743 -2.702 1.00 63.20 C ATOM 1086 C MET A 185 16.781 3.223 -3.687 1.00 33.24 C ATOM 1087 O MET A 185 17.082 2.390 -4.542 1.00 33.00 O ATOM 1088 CB MET A 185 18.037 5.243 -2.913 1.00 23.13 C ATOM 1089 CG MET A 185 18.292 6.007 -1.624 1.00 14.43 C ATOM 1090 SD MET A 185 17.870 7.755 -1.758 1.00 42.42 S ATOM 1091 CE MET A 185 18.172 8.307 -0.081 1.00 22.50 C ATOM 0 H MET A 185 19.407 2.937 -3.816 1.00 10.31 H new ATOM 0 HA MET A 185 17.457 3.575 -1.689 1.00 63.20 H new ATOM 0 HB2 MET A 185 18.882 5.390 -3.586 1.00 23.13 H new ATOM 0 HB3 MET A 185 17.160 5.661 -3.406 1.00 23.13 H new ATOM 0 HG2 MET A 185 17.711 5.558 -0.819 1.00 14.43 H new ATOM 0 HG3 MET A 185 19.343 5.911 -1.351 1.00 14.43 H new ATOM 0 HE1 MET A 185 18.340 9.384 -0.077 1.00 22.50 H new ATOM 0 HE2 MET A 185 17.308 8.072 0.540 1.00 22.50 H new ATOM 0 HE3 MET A 185 19.052 7.801 0.316 1.00 22.50 H new ATOM 1101 N TYR A 186 15.555 3.719 -3.560 1.00 30.31 N ATOM 1102 CA TYR A 186 14.467 3.302 -4.437 1.00 24.21 C ATOM 1103 C TYR A 186 13.500 4.454 -4.690 1.00 75.31 C ATOM 1104 O TYR A 186 13.174 5.184 -3.756 1.00 15.32 O ATOM 1105 CB TYR A 186 13.718 2.116 -3.827 1.00 0.13 C ATOM 1106 CG TYR A 186 12.585 1.607 -4.689 1.00 63.11 C ATOM 1107 CD1 TYR A 186 11.302 2.125 -4.562 1.00 63.34 C ATOM 1108 CD2 TYR A 186 12.799 0.608 -5.632 1.00 15.53 C ATOM 1109 CE1 TYR A 186 10.264 1.662 -5.348 1.00 24.23 C ATOM 1110 CE2 TYR A 186 11.767 0.141 -6.422 1.00 71.54 C ATOM 1111 CZ TYR A 186 10.502 0.670 -6.276 1.00 73.14 C ATOM 1112 OH TYR A 186 9.471 0.207 -7.062 1.00 13.24 O ATOM 0 H TYR A 186 15.290 4.410 -2.858 1.00 30.31 H new ATOM 0 HA TYR A 186 14.899 2.998 -5.391 1.00 24.21 H new ATOM 0 HB2 TYR A 186 14.423 1.303 -3.651 1.00 0.13 H new ATOM 0 HB3 TYR A 186 13.321 2.409 -2.855 1.00 0.13 H new ATOM 0 HD1 TYR A 186 11.113 2.903 -3.837 1.00 63.34 H new ATOM 0 HD2 TYR A 186 13.788 0.190 -5.749 1.00 15.53 H new ATOM 0 HE1 TYR A 186 9.272 2.075 -5.236 1.00 24.23 H new ATOM 0 HE2 TYR A 186 11.950 -0.635 -7.151 1.00 71.54 H new ATOM 0 HH TYR A 186 9.838 -0.263 -7.840 1.00 13.24 H new ATOM 1122 N CYS A 187 13.066 4.588 -5.935 1.00 10.42 N ATOM 1123 CA CYS A 187 12.140 5.649 -6.294 1.00 45.41 C ATOM 1124 C CYS A 187 10.752 5.033 -6.480 1.00 3.54 C ATOM 1125 O CYS A 187 10.570 4.029 -7.168 1.00 11.30 O ATOM 1126 CB CYS A 187 12.602 6.404 -7.543 1.00 33.51 C ATOM 1127 SG CYS A 187 11.483 7.814 -7.871 1.00 40.20 S ATOM 0 H CYS A 187 13.338 3.980 -6.707 1.00 10.42 H new ATOM 0 HA CYS A 187 12.103 6.389 -5.495 1.00 45.41 H new ATOM 0 HB2 CYS A 187 13.622 6.763 -7.405 1.00 33.51 H new ATOM 0 HB3 CYS A 187 12.614 5.732 -8.401 1.00 33.51 H new ATOM 0 HG CYS A 187 11.158 8.381 -6.747 1.00 40.20 H new ATOM 1132 N VAL A 188 9.769 5.663 -5.844 1.00 51.13 N ATOM 1133 CA VAL A 188 8.389 5.200 -5.923 1.00 15.34 C ATOM 1134 C VAL A 188 7.722 5.676 -7.208 1.00 74.24 C ATOM 1135 O VAL A 188 7.151 4.881 -7.957 1.00 25.14 O ATOM 1136 CB VAL A 188 7.563 5.690 -4.718 1.00 22.23 C ATOM 1137 CG1 VAL A 188 6.128 5.197 -4.818 1.00 32.42 C ATOM 1138 CG2 VAL A 188 8.202 5.235 -3.414 1.00 64.35 C ATOM 0 H VAL A 188 9.903 6.495 -5.269 1.00 51.13 H new ATOM 0 HA VAL A 188 8.420 4.110 -5.915 1.00 15.34 H new ATOM 0 HB VAL A 188 7.549 6.780 -4.729 1.00 22.23 H new ATOM 0 HG11 VAL A 188 5.560 5.553 -3.958 1.00 32.42 H new ATOM 0 HG12 VAL A 188 5.676 5.577 -5.734 1.00 32.42 H new ATOM 0 HG13 VAL A 188 6.118 4.107 -4.833 1.00 32.42 H new ATOM 0 HG21 VAL A 188 7.606 5.590 -2.573 1.00 64.35 H new ATOM 0 HG22 VAL A 188 8.248 4.146 -3.392 1.00 64.35 H new ATOM 0 HG23 VAL A 188 9.210 5.643 -3.341 1.00 64.35 H new ATOM 1148 N THR A 189 7.797 6.979 -7.461 1.00 33.13 N ATOM 1149 CA THR A 189 7.200 7.562 -8.656 1.00 31.41 C ATOM 1150 C THR A 189 7.764 6.923 -9.920 1.00 21.54 C ATOM 1151 O THR A 189 7.134 6.954 -10.977 1.00 20.52 O ATOM 1152 CB THR A 189 7.433 9.083 -8.716 1.00 1.04 C ATOM 1153 OG1 THR A 189 7.154 9.672 -7.440 1.00 63.24 O ATOM 1154 CG2 THR A 189 6.554 9.724 -9.779 1.00 30.11 C ATOM 0 H THR A 189 8.266 7.651 -6.853 1.00 33.13 H new ATOM 0 HA THR A 189 6.129 7.368 -8.601 1.00 31.41 H new ATOM 0 HB THR A 189 8.477 9.258 -8.977 1.00 1.04 H new ATOM 0 HG1 THR A 189 7.306 10.639 -7.486 1.00 63.24 H new ATOM 0 HG21 THR A 189 6.736 10.798 -9.803 1.00 30.11 H new ATOM 0 HG22 THR A 189 6.789 9.295 -10.753 1.00 30.11 H new ATOM 0 HG23 THR A 189 5.506 9.539 -9.544 1.00 30.11 H new ATOM 1162 N ASP A 190 8.954 6.343 -9.803 1.00 51.24 N ATOM 1163 CA ASP A 190 9.602 5.694 -10.937 1.00 45.50 C ATOM 1164 C ASP A 190 9.509 4.176 -10.821 1.00 2.33 C ATOM 1165 O ASP A 190 9.596 3.461 -11.819 1.00 21.22 O ATOM 1166 CB ASP A 190 11.068 6.122 -11.027 1.00 1.43 C ATOM 1167 CG ASP A 190 11.225 7.557 -11.492 1.00 20.14 C ATOM 1168 OD1 ASP A 190 10.194 8.213 -11.749 1.00 62.32 O ATOM 1169 OD2 ASP A 190 12.379 8.023 -11.599 1.00 13.53 O ATOM 0 H ASP A 190 9.489 6.309 -8.935 1.00 51.24 H new ATOM 0 HA ASP A 190 9.084 6.003 -11.845 1.00 45.50 H new ATOM 0 HB2 ASP A 190 11.538 6.006 -10.050 1.00 1.43 H new ATOM 0 HB3 ASP A 190 11.595 5.461 -11.715 1.00 1.43 H new ATOM 1174 N ASP A 191 9.333 3.692 -9.596 1.00 71.35 N ATOM 1175 CA ASP A 191 9.228 2.258 -9.349 1.00 51.43 C ATOM 1176 C ASP A 191 10.524 1.546 -9.724 1.00 32.11 C ATOM 1177 O ASP A 191 10.509 0.384 -10.128 1.00 20.53 O ATOM 1178 CB ASP A 191 8.059 1.667 -10.140 1.00 5.24 C ATOM 1179 CG ASP A 191 7.498 0.415 -9.494 1.00 44.41 C ATOM 1180 OD1 ASP A 191 8.194 -0.621 -9.507 1.00 23.20 O ATOM 1181 OD2 ASP A 191 6.363 0.472 -8.977 1.00 11.11 O ATOM 0 H ASP A 191 9.260 4.271 -8.759 1.00 71.35 H new ATOM 0 HA ASP A 191 9.048 2.110 -8.284 1.00 51.43 H new ATOM 0 HB2 ASP A 191 7.269 2.413 -10.227 1.00 5.24 H new ATOM 0 HB3 ASP A 191 8.390 1.433 -11.152 1.00 5.24 H new ATOM 1186 N GLN A 192 11.642 2.252 -9.588 1.00 73.30 N ATOM 1187 CA GLN A 192 12.946 1.687 -9.914 1.00 73.32 C ATOM 1188 C GLN A 192 13.941 1.925 -8.783 1.00 53.02 C ATOM 1189 O GLN A 192 13.619 2.572 -7.786 1.00 4.43 O ATOM 1190 CB GLN A 192 13.478 2.294 -11.214 1.00 35.34 C ATOM 1191 CG GLN A 192 13.339 1.374 -12.416 1.00 41.11 C ATOM 1192 CD GLN A 192 14.598 1.322 -13.259 1.00 23.43 C ATOM 1193 OE1 GLN A 192 15.708 1.471 -12.747 1.00 23.52 O ATOM 1194 NE2 GLN A 192 14.432 1.109 -14.559 1.00 24.21 N ATOM 0 H GLN A 192 11.671 3.216 -9.255 1.00 73.30 H new ATOM 0 HA GLN A 192 12.825 0.612 -10.046 1.00 73.32 H new ATOM 0 HB2 GLN A 192 12.946 3.224 -11.415 1.00 35.34 H new ATOM 0 HB3 GLN A 192 14.529 2.550 -11.082 1.00 35.34 H new ATOM 0 HG2 GLN A 192 13.094 0.369 -12.073 1.00 41.11 H new ATOM 0 HG3 GLN A 192 12.507 1.712 -13.033 1.00 41.11 H new ATOM 0 HE21 GLN A 192 13.494 0.991 -14.941 1.00 24.21 H new ATOM 0 HE22 GLN A 192 15.243 1.063 -15.176 1.00 24.21 H new ATOM 1203 N LEU A 193 15.149 1.398 -8.944 1.00 44.15 N ATOM 1204 CA LEU A 193 16.192 1.553 -7.936 1.00 44.24 C ATOM 1205 C LEU A 193 17.154 2.675 -8.316 1.00 13.24 C ATOM 1206 O LEU A 193 17.399 2.922 -9.497 1.00 5.34 O ATOM 1207 CB LEU A 193 16.962 0.243 -7.765 1.00 64.40 C ATOM 1208 CG LEU A 193 16.223 -0.880 -7.036 1.00 51.11 C ATOM 1209 CD1 LEU A 193 16.794 -2.235 -7.424 1.00 3.04 C ATOM 1210 CD2 LEU A 193 16.299 -0.678 -5.530 1.00 34.13 C ATOM 0 H LEU A 193 15.431 0.859 -9.763 1.00 44.15 H new ATOM 0 HA LEU A 193 15.714 1.813 -6.991 1.00 44.24 H new ATOM 0 HB2 LEU A 193 17.248 -0.119 -8.753 1.00 64.40 H new ATOM 0 HB3 LEU A 193 17.884 0.455 -7.224 1.00 64.40 H new ATOM 0 HG LEU A 193 15.175 -0.852 -7.334 1.00 51.11 H new ATOM 0 HD11 LEU A 193 16.256 -3.022 -6.895 1.00 3.04 H new ATOM 0 HD12 LEU A 193 16.686 -2.381 -8.499 1.00 3.04 H new ATOM 0 HD13 LEU A 193 17.850 -2.275 -7.156 1.00 3.04 H new ATOM 0 HD21 LEU A 193 15.768 -1.486 -5.027 1.00 34.13 H new ATOM 0 HD22 LEU A 193 17.343 -0.678 -5.215 1.00 34.13 H new ATOM 0 HD23 LEU A 193 15.841 0.276 -5.267 1.00 34.13 H new ATOM 1222 N ILE A 194 17.695 3.349 -7.307 1.00 5.22 N ATOM 1223 CA ILE A 194 18.632 4.442 -7.535 1.00 4.21 C ATOM 1224 C ILE A 194 19.669 4.519 -6.419 1.00 43.25 C ATOM 1225 O ILE A 194 19.571 3.765 -5.453 1.00 3.03 O ATOM 1226 CB ILE A 194 17.904 5.795 -7.638 1.00 3.51 C ATOM 1227 CG1 ILE A 194 17.306 6.182 -6.284 1.00 33.42 C ATOM 1228 CG2 ILE A 194 16.821 5.734 -8.704 1.00 52.21 C ATOM 1229 CD1 ILE A 194 16.570 7.503 -6.303 1.00 43.40 C ATOM 0 H ILE A 194 17.501 3.158 -6.324 1.00 5.22 H new ATOM 0 HA ILE A 194 19.134 4.236 -8.480 1.00 4.21 H new ATOM 0 HB ILE A 194 18.627 6.559 -7.926 1.00 3.51 H new ATOM 0 HG12 ILE A 194 16.621 5.398 -5.962 1.00 33.42 H new ATOM 0 HG13 ILE A 194 18.105 6.231 -5.544 1.00 33.42 H new ATOM 0 HG21 ILE A 194 16.316 6.698 -8.765 1.00 52.21 H new ATOM 0 HG22 ILE A 194 17.272 5.500 -9.668 1.00 52.21 H new ATOM 0 HG23 ILE A 194 16.098 4.961 -8.444 1.00 52.21 H new ATOM 0 HD11 ILE A 194 16.173 7.713 -5.310 1.00 43.40 H new ATOM 0 HD12 ILE A 194 17.257 8.298 -6.595 1.00 43.40 H new ATOM 0 HD13 ILE A 194 15.749 7.452 -7.018 1.00 43.40 H new ATOM 1241 N CYS A 195 20.629 5.420 -6.575 1.00 32.45 N ATOM 1242 CA CYS A 195 21.670 5.583 -5.574 1.00 41.55 C ATOM 1243 C CYS A 195 21.456 6.926 -4.873 1.00 52.44 C ATOM 1244 O CYS A 195 20.906 7.874 -5.433 1.00 51.24 O ATOM 1245 CB CYS A 195 23.067 5.477 -6.190 1.00 10.33 C ATOM 1246 SG CYS A 195 23.451 6.996 -7.136 1.00 23.13 S ATOM 0 H CYS A 195 20.707 6.044 -7.378 1.00 32.45 H new ATOM 0 HA CYS A 195 21.605 4.778 -4.842 1.00 41.55 H new ATOM 0 HB2 CYS A 195 23.809 5.330 -5.405 1.00 10.33 H new ATOM 0 HB3 CYS A 195 23.119 4.608 -6.845 1.00 10.33 H new ATOM 0 HG CYS A 195 22.471 7.261 -7.948 1.00 23.13 H new ATOM 1251 N ALA A 196 21.907 6.986 -3.625 1.00 15.34 N ATOM 1252 CA ALA A 196 21.779 8.198 -2.824 1.00 23.42 C ATOM 1253 C ALA A 196 22.421 9.390 -3.526 1.00 33.31 C ATOM 1254 O ALA A 196 22.008 10.534 -3.331 1.00 21.21 O ATOM 1255 CB ALA A 196 22.404 7.991 -1.452 1.00 44.41 C ATOM 0 H ALA A 196 22.364 6.210 -3.146 1.00 15.34 H new ATOM 0 HA ALA A 196 20.718 8.412 -2.699 1.00 23.42 H new ATOM 0 HB1 ALA A 196 22.302 8.903 -0.864 1.00 44.41 H new ATOM 0 HB2 ALA A 196 21.898 7.172 -0.941 1.00 44.41 H new ATOM 0 HB3 ALA A 196 23.461 7.750 -1.566 1.00 44.41 H new ATOM 1261 N LEU A 197 23.432 9.115 -4.342 1.00 50.44 N ATOM 1262 CA LEU A 197 24.132 10.166 -5.074 1.00 14.13 C ATOM 1263 C LEU A 197 23.237 10.765 -6.154 1.00 43.43 C ATOM 1264 O LEU A 197 23.495 11.884 -6.597 1.00 60.43 O ATOM 1265 CB LEU A 197 25.410 9.612 -5.704 1.00 24.54 C ATOM 1266 CG LEU A 197 26.527 10.624 -5.958 1.00 3.51 C ATOM 1267 CD1 LEU A 197 27.319 10.877 -4.684 1.00 61.13 C ATOM 1268 CD2 LEU A 197 27.444 10.139 -7.071 1.00 24.01 C ATOM 0 H LEU A 197 23.786 8.174 -4.514 1.00 50.44 H new ATOM 0 HA LEU A 197 24.395 10.953 -4.368 1.00 14.13 H new ATOM 0 HB2 LEU A 197 25.799 8.826 -5.056 1.00 24.54 H new ATOM 0 HB3 LEU A 197 25.150 9.143 -6.653 1.00 24.54 H new ATOM 0 HG LEU A 197 26.074 11.564 -6.272 1.00 3.51 H new ATOM 0 HD11 LEU A 197 28.110 11.600 -4.885 1.00 61.13 H new ATOM 0 HD12 LEU A 197 26.655 11.270 -3.915 1.00 61.13 H new ATOM 0 HD13 LEU A 197 27.761 9.942 -4.339 1.00 61.13 H new ATOM 0 HD21 LEU A 197 28.233 10.872 -7.238 1.00 24.01 H new ATOM 0 HD22 LEU A 197 27.889 9.186 -6.786 1.00 24.01 H new ATOM 0 HD23 LEU A 197 26.868 10.011 -7.987 1.00 24.01 H new ATOM 1280 N CYS A 198 22.216 10.019 -6.549 1.00 64.20 N ATOM 1281 CA CYS A 198 21.297 10.489 -7.571 1.00 71.42 C ATOM 1282 C CYS A 198 20.298 11.444 -6.916 1.00 52.41 C ATOM 1283 O CYS A 198 19.882 12.451 -7.491 1.00 62.41 O ATOM 1284 CB CYS A 198 20.596 9.327 -8.279 1.00 12.05 C ATOM 1285 SG CYS A 198 21.645 8.699 -9.640 1.00 73.22 S ATOM 0 H CYS A 198 22.005 9.092 -6.179 1.00 64.20 H new ATOM 0 HA CYS A 198 21.851 11.019 -8.346 1.00 71.42 H new ATOM 0 HB2 CYS A 198 20.392 8.527 -7.567 1.00 12.05 H new ATOM 0 HB3 CYS A 198 19.635 9.657 -8.672 1.00 12.05 H new ATOM 0 HG CYS A 198 21.042 7.712 -10.233 1.00 73.22 H new ATOM 1290 N LYS A 199 19.918 11.105 -5.689 1.00 0.02 N ATOM 1291 CA LYS A 199 18.972 11.913 -4.929 1.00 55.33 C ATOM 1292 C LYS A 199 19.616 13.216 -4.468 1.00 4.41 C ATOM 1293 O LYS A 199 18.930 14.213 -4.238 1.00 2.11 O ATOM 1294 CB LYS A 199 18.457 11.130 -3.719 1.00 55.45 C ATOM 1295 CG LYS A 199 17.163 11.680 -3.145 1.00 14.51 C ATOM 1296 CD LYS A 199 17.054 11.407 -1.654 1.00 50.51 C ATOM 1297 CE LYS A 199 16.056 12.342 -0.988 1.00 1.14 C ATOM 1298 NZ LYS A 199 16.523 13.756 -1.005 1.00 42.03 N ATOM 0 H LYS A 199 20.251 10.275 -5.199 1.00 0.02 H new ATOM 0 HA LYS A 199 18.133 12.154 -5.582 1.00 55.33 H new ATOM 0 HB2 LYS A 199 18.304 10.090 -4.008 1.00 55.45 H new ATOM 0 HB3 LYS A 199 19.221 11.135 -2.941 1.00 55.45 H new ATOM 0 HG2 LYS A 199 17.112 12.754 -3.324 1.00 14.51 H new ATOM 0 HG3 LYS A 199 16.315 11.230 -3.661 1.00 14.51 H new ATOM 0 HD2 LYS A 199 16.749 10.373 -1.494 1.00 50.51 H new ATOM 0 HD3 LYS A 199 18.032 11.526 -1.189 1.00 50.51 H new ATOM 0 HE2 LYS A 199 15.095 12.271 -1.498 1.00 1.14 H new ATOM 0 HE3 LYS A 199 15.894 12.026 0.042 1.00 1.14 H new ATOM 0 HZ1 LYS A 199 16.055 14.285 -0.242 1.00 42.03 H new ATOM 0 HZ2 LYS A 199 17.553 13.783 -0.863 1.00 42.03 H new ATOM 0 HZ3 LYS A 199 16.288 14.188 -1.921 1.00 42.03 H new ATOM 1312 N LEU A 200 20.938 13.203 -4.336 1.00 21.41 N ATOM 1313 CA LEU A 200 21.676 14.384 -3.903 1.00 42.34 C ATOM 1314 C LEU A 200 21.849 15.370 -5.055 1.00 22.24 C ATOM 1315 O LEU A 200 21.539 16.554 -4.924 1.00 73.10 O ATOM 1316 CB LEU A 200 23.045 13.981 -3.352 1.00 11.31 C ATOM 1317 CG LEU A 200 23.606 14.864 -2.236 1.00 54.34 C ATOM 1318 CD1 LEU A 200 23.932 14.029 -1.008 1.00 45.41 C ATOM 1319 CD2 LEU A 200 24.839 15.613 -2.718 1.00 45.34 C ATOM 0 H LEU A 200 21.521 12.387 -4.523 1.00 21.41 H new ATOM 0 HA LEU A 200 21.103 14.871 -3.114 1.00 42.34 H new ATOM 0 HB2 LEU A 200 22.978 12.959 -2.980 1.00 11.31 H new ATOM 0 HB3 LEU A 200 23.758 13.974 -4.176 1.00 11.31 H new ATOM 0 HG LEU A 200 22.846 15.596 -1.961 1.00 54.34 H new ATOM 0 HD11 LEU A 200 24.330 14.674 -0.225 1.00 45.41 H new ATOM 0 HD12 LEU A 200 23.026 13.540 -0.650 1.00 45.41 H new ATOM 0 HD13 LEU A 200 24.674 13.274 -1.268 1.00 45.41 H new ATOM 0 HD21 LEU A 200 25.225 16.236 -1.911 1.00 45.34 H new ATOM 0 HD22 LEU A 200 25.604 14.898 -3.021 1.00 45.34 H new ATOM 0 HD23 LEU A 200 24.573 16.242 -3.567 1.00 45.34 H new ATOM 1331 N VAL A 201 22.345 14.872 -6.183 1.00 51.52 N ATOM 1332 CA VAL A 201 22.556 15.708 -7.359 1.00 40.22 C ATOM 1333 C VAL A 201 21.290 16.476 -7.722 1.00 71.45 C ATOM 1334 O VAL A 201 21.349 17.637 -8.123 1.00 51.32 O ATOM 1335 CB VAL A 201 23.000 14.869 -8.572 1.00 21.21 C ATOM 1336 CG1 VAL A 201 23.171 15.752 -9.799 1.00 24.44 C ATOM 1337 CG2 VAL A 201 24.287 14.121 -8.259 1.00 44.00 C ATOM 0 H VAL A 201 22.608 13.894 -6.307 1.00 51.52 H new ATOM 0 HA VAL A 201 23.346 16.415 -7.107 1.00 40.22 H new ATOM 0 HB VAL A 201 22.224 14.135 -8.788 1.00 21.21 H new ATOM 0 HG11 VAL A 201 23.485 15.142 -10.646 1.00 24.44 H new ATOM 0 HG12 VAL A 201 22.223 16.237 -10.033 1.00 24.44 H new ATOM 0 HG13 VAL A 201 23.927 16.511 -9.599 1.00 24.44 H new ATOM 0 HG21 VAL A 201 24.586 13.533 -9.127 1.00 44.00 H new ATOM 0 HG22 VAL A 201 25.073 14.836 -8.016 1.00 44.00 H new ATOM 0 HG23 VAL A 201 24.125 13.457 -7.410 1.00 44.00 H new ATOM 1347 N GLY A 202 20.143 15.817 -7.579 1.00 5.41 N ATOM 1348 CA GLY A 202 18.878 16.453 -7.896 1.00 1.42 C ATOM 1349 C GLY A 202 18.006 15.595 -8.790 1.00 51.23 C ATOM 1350 O GLY A 202 16.818 15.871 -8.960 1.00 42.43 O ATOM 0 H GLY A 202 20.068 14.855 -7.249 1.00 5.41 H new ATOM 0 HA2 GLY A 202 18.343 16.670 -6.972 1.00 1.42 H new ATOM 0 HA3 GLY A 202 19.068 17.408 -8.387 1.00 1.42 H new ATOM 1354 N ARG A 203 18.596 14.552 -9.365 1.00 51.21 N ATOM 1355 CA ARG A 203 17.865 13.653 -10.250 1.00 21.34 C ATOM 1356 C ARG A 203 16.586 13.156 -9.583 1.00 75.21 C ATOM 1357 O ARG A 203 15.563 12.966 -10.243 1.00 30.35 O ATOM 1358 CB ARG A 203 18.744 12.463 -10.642 1.00 13.35 C ATOM 1359 CG ARG A 203 19.652 12.742 -11.828 1.00 75.34 C ATOM 1360 CD ARG A 203 20.679 11.636 -12.015 1.00 50.31 C ATOM 1361 NE ARG A 203 22.047 12.134 -11.895 1.00 54.31 N ATOM 1362 CZ ARG A 203 22.695 12.746 -12.880 1.00 62.41 C ATOM 1363 NH1 ARG A 203 22.103 12.934 -14.052 1.00 25.25 N ATOM 1364 NH2 ARG A 203 23.938 13.171 -12.694 1.00 64.30 N ATOM 0 H ARG A 203 19.578 14.309 -9.234 1.00 51.21 H new ATOM 0 HA ARG A 203 17.594 14.208 -11.148 1.00 21.34 H new ATOM 0 HB2 ARG A 203 19.356 12.176 -9.786 1.00 13.35 H new ATOM 0 HB3 ARG A 203 18.105 11.612 -10.877 1.00 13.35 H new ATOM 0 HG2 ARG A 203 19.052 12.839 -12.732 1.00 75.34 H new ATOM 0 HG3 ARG A 203 20.163 13.693 -11.681 1.00 75.34 H new ATOM 0 HD2 ARG A 203 20.511 10.856 -11.273 1.00 50.31 H new ATOM 0 HD3 ARG A 203 20.544 11.178 -12.995 1.00 50.31 H new ATOM 0 HE ARG A 203 22.531 12.005 -11.007 1.00 54.31 H new ATOM 0 HH11 ARG A 203 21.148 12.608 -14.199 1.00 25.25 H new ATOM 0 HH12 ARG A 203 22.603 13.404 -14.806 1.00 25.25 H new ATOM 0 HH21 ARG A 203 24.397 13.028 -11.794 1.00 64.30 H new ATOM 0 HH22 ARG A 203 24.435 13.641 -13.451 1.00 64.30 H new ATOM 1378 N HIS A 204 16.650 12.947 -8.272 1.00 30.30 N ATOM 1379 CA HIS A 204 15.497 12.472 -7.516 1.00 35.21 C ATOM 1380 C HIS A 204 15.342 13.252 -6.214 1.00 55.21 C ATOM 1381 O HIS A 204 15.297 12.669 -5.131 1.00 20.30 O ATOM 1382 CB HIS A 204 15.636 10.979 -7.216 1.00 3.12 C ATOM 1383 CG HIS A 204 15.827 10.137 -8.440 1.00 11.32 C ATOM 1384 ND1 HIS A 204 14.838 9.329 -8.959 1.00 33.12 N ATOM 1385 CD2 HIS A 204 16.901 9.983 -9.250 1.00 35.45 C ATOM 1386 CE1 HIS A 204 15.295 8.712 -10.034 1.00 1.03 C ATOM 1387 NE2 HIS A 204 16.545 9.092 -10.232 1.00 75.21 N ATOM 0 H HIS A 204 17.488 13.099 -7.711 1.00 30.30 H new ATOM 0 HA HIS A 204 14.606 12.631 -8.123 1.00 35.21 H new ATOM 0 HB2 HIS A 204 16.483 10.829 -6.546 1.00 3.12 H new ATOM 0 HB3 HIS A 204 14.746 10.639 -6.686 1.00 3.12 H new ATOM 0 HD2 HIS A 204 17.859 10.470 -9.143 1.00 35.45 H new ATOM 0 HE1 HIS A 204 14.741 8.016 -10.647 1.00 1.03 H new ATOM 0 HE2 HIS A 204 17.148 8.775 -10.991 1.00 75.21 H new ATOM 1394 N ARG A 205 15.261 14.574 -6.328 1.00 73.21 N ATOM 1395 CA ARG A 205 15.113 15.434 -5.160 1.00 72.22 C ATOM 1396 C ARG A 205 13.640 15.641 -4.821 1.00 33.15 C ATOM 1397 O ARG A 205 13.224 15.454 -3.677 1.00 33.30 O ATOM 1398 CB ARG A 205 15.785 16.786 -5.407 1.00 61.53 C ATOM 1399 CG ARG A 205 15.775 17.702 -4.194 1.00 70.54 C ATOM 1400 CD ARG A 205 15.894 19.163 -4.599 1.00 32.42 C ATOM 1401 NE ARG A 205 15.811 20.058 -3.448 1.00 25.43 N ATOM 1402 CZ ARG A 205 16.118 21.349 -3.497 1.00 42.15 C ATOM 1403 NH1 ARG A 205 16.525 21.894 -4.636 1.00 21.23 N ATOM 1404 NH2 ARG A 205 16.018 22.099 -2.407 1.00 72.42 N ATOM 0 H ARG A 205 15.295 15.072 -7.217 1.00 73.21 H new ATOM 0 HA ARG A 205 15.598 14.944 -4.315 1.00 72.22 H new ATOM 0 HB2 ARG A 205 16.817 16.618 -5.716 1.00 61.53 H new ATOM 0 HB3 ARG A 205 15.282 17.287 -6.234 1.00 61.53 H new ATOM 0 HG2 ARG A 205 14.853 17.553 -3.632 1.00 70.54 H new ATOM 0 HG3 ARG A 205 16.599 17.439 -3.531 1.00 70.54 H new ATOM 0 HD2 ARG A 205 16.842 19.321 -5.113 1.00 32.42 H new ATOM 0 HD3 ARG A 205 15.103 19.409 -5.307 1.00 32.42 H new ATOM 0 HE ARG A 205 15.500 19.670 -2.557 1.00 25.43 H new ATOM 0 HH11 ARG A 205 16.603 21.321 -5.476 1.00 21.23 H new ATOM 0 HH12 ARG A 205 16.760 22.886 -4.671 1.00 21.23 H new ATOM 0 HH21 ARG A 205 15.705 21.684 -1.529 1.00 72.42 H new ATOM 0 HH22 ARG A 205 16.254 23.090 -2.447 1.00 72.42 H new ATOM 1418 N ASP A 206 12.856 16.029 -5.821 1.00 22.52 N ATOM 1419 CA ASP A 206 11.429 16.261 -5.629 1.00 24.33 C ATOM 1420 C ASP A 206 10.660 14.943 -5.623 1.00 4.21 C ATOM 1421 O ASP A 206 9.445 14.923 -5.425 1.00 61.52 O ATOM 1422 CB ASP A 206 10.888 17.177 -6.727 1.00 34.00 C ATOM 1423 CG ASP A 206 11.191 18.639 -6.463 1.00 72.23 C ATOM 1424 OD1 ASP A 206 12.134 18.919 -5.694 1.00 54.33 O ATOM 1425 OD2 ASP A 206 10.485 19.502 -7.025 1.00 53.33 O ATOM 0 H ASP A 206 13.185 16.190 -6.773 1.00 22.52 H new ATOM 0 HA ASP A 206 11.291 16.745 -4.662 1.00 24.33 H new ATOM 0 HB2 ASP A 206 11.321 16.886 -7.684 1.00 34.00 H new ATOM 0 HB3 ASP A 206 9.810 17.042 -6.810 1.00 34.00 H new ATOM 1430 N HIS A 207 11.376 13.845 -5.842 1.00 24.11 N ATOM 1431 CA HIS A 207 10.761 12.523 -5.862 1.00 61.44 C ATOM 1432 C HIS A 207 10.492 12.026 -4.445 1.00 2.51 C ATOM 1433 O HIS A 207 10.871 12.674 -3.469 1.00 71.22 O ATOM 1434 CB HIS A 207 11.660 11.530 -6.601 1.00 12.13 C ATOM 1435 CG HIS A 207 11.530 11.599 -8.091 1.00 61.42 C ATOM 1436 ND1 HIS A 207 12.260 10.802 -8.948 1.00 30.34 N ATOM 1437 CD2 HIS A 207 10.747 12.375 -8.877 1.00 25.30 C ATOM 1438 CE1 HIS A 207 11.933 11.086 -10.196 1.00 23.32 C ATOM 1439 NE2 HIS A 207 11.017 12.037 -10.180 1.00 71.14 N ATOM 0 H HIS A 207 12.382 13.845 -6.008 1.00 24.11 H new ATOM 0 HA HIS A 207 9.809 12.601 -6.387 1.00 61.44 H new ATOM 0 HB2 HIS A 207 12.698 11.718 -6.326 1.00 12.13 H new ATOM 0 HB3 HIS A 207 11.420 10.520 -6.270 1.00 12.13 H new ATOM 0 HD1 HIS A 207 12.945 10.103 -8.663 1.00 30.34 H new ATOM 0 HD2 HIS A 207 10.042 13.121 -8.542 1.00 25.30 H new ATOM 0 HE1 HIS A 207 12.345 10.620 -11.079 1.00 23.32 H new ATOM 1446 N GLN A 208 9.836 10.875 -4.341 1.00 10.45 N ATOM 1447 CA GLN A 208 9.516 10.294 -3.042 1.00 54.41 C ATOM 1448 C GLN A 208 10.193 8.939 -2.870 1.00 74.44 C ATOM 1449 O GLN A 208 9.669 7.912 -3.303 1.00 53.14 O ATOM 1450 CB GLN A 208 8.001 10.145 -2.886 1.00 62.14 C ATOM 1451 CG GLN A 208 7.527 10.224 -1.444 1.00 62.22 C ATOM 1452 CD GLN A 208 6.041 9.958 -1.303 1.00 25.33 C ATOM 1453 OE1 GLN A 208 5.429 9.322 -2.161 1.00 34.33 O ATOM 1454 NE2 GLN A 208 5.453 10.444 -0.216 1.00 45.10 N ATOM 0 H GLN A 208 9.516 10.327 -5.139 1.00 10.45 H new ATOM 0 HA GLN A 208 9.889 10.966 -2.269 1.00 54.41 H new ATOM 0 HB2 GLN A 208 7.506 10.924 -3.466 1.00 62.14 H new ATOM 0 HB3 GLN A 208 7.693 9.189 -3.309 1.00 62.14 H new ATOM 0 HG2 GLN A 208 8.080 9.502 -0.844 1.00 62.22 H new ATOM 0 HG3 GLN A 208 7.755 11.212 -1.044 1.00 62.22 H new ATOM 0 HE21 GLN A 208 5.999 10.966 0.469 1.00 45.10 H new ATOM 0 HE22 GLN A 208 4.455 10.296 -0.067 1.00 45.10 H new ATOM 1463 N VAL A 209 11.361 8.942 -2.236 1.00 33.01 N ATOM 1464 CA VAL A 209 12.109 7.712 -2.006 1.00 45.22 C ATOM 1465 C VAL A 209 12.146 7.360 -0.523 1.00 70.24 C ATOM 1466 O VAL A 209 11.646 8.109 0.315 1.00 22.24 O ATOM 1467 CB VAL A 209 13.553 7.828 -2.531 1.00 20.22 C ATOM 1468 CG1 VAL A 209 13.557 8.123 -4.023 1.00 0.10 C ATOM 1469 CG2 VAL A 209 14.314 8.900 -1.765 1.00 34.32 C ATOM 0 H VAL A 209 11.810 9.783 -1.872 1.00 33.01 H new ATOM 0 HA VAL A 209 11.594 6.921 -2.551 1.00 45.22 H new ATOM 0 HB VAL A 209 14.056 6.874 -2.372 1.00 20.22 H new ATOM 0 HG11 VAL A 209 14.585 8.201 -4.376 1.00 0.10 H new ATOM 0 HG12 VAL A 209 13.052 7.317 -4.555 1.00 0.10 H new ATOM 0 HG13 VAL A 209 13.037 9.063 -4.210 1.00 0.10 H new ATOM 0 HG21 VAL A 209 15.332 8.968 -2.149 1.00 34.32 H new ATOM 0 HG22 VAL A 209 13.814 9.860 -1.890 1.00 34.32 H new ATOM 0 HG23 VAL A 209 14.342 8.640 -0.707 1.00 34.32 H new ATOM 1479 N ALA A 210 12.742 6.215 -0.208 1.00 34.45 N ATOM 1480 CA ALA A 210 12.846 5.764 1.175 1.00 71.44 C ATOM 1481 C ALA A 210 14.304 5.664 1.611 1.00 14.32 C ATOM 1482 O ALA A 210 15.182 5.355 0.807 1.00 23.12 O ATOM 1483 CB ALA A 210 12.149 4.422 1.346 1.00 30.01 C ATOM 0 H ALA A 210 13.160 5.583 -0.891 1.00 34.45 H new ATOM 0 HA ALA A 210 12.353 6.501 1.810 1.00 71.44 H new ATOM 0 HB1 ALA A 210 12.234 4.097 2.383 1.00 30.01 H new ATOM 0 HB2 ALA A 210 11.096 4.523 1.083 1.00 30.01 H new ATOM 0 HB3 ALA A 210 12.617 3.684 0.695 1.00 30.01 H new ATOM 1489 N ALA A 211 14.553 5.929 2.889 1.00 0.44 N ATOM 1490 CA ALA A 211 15.904 5.868 3.433 1.00 42.44 C ATOM 1491 C ALA A 211 16.090 4.631 4.303 1.00 25.44 C ATOM 1492 O ALA A 211 15.178 4.222 5.023 1.00 1.11 O ATOM 1493 CB ALA A 211 16.210 7.128 4.230 1.00 71.22 C ATOM 0 H ALA A 211 13.837 6.188 3.567 1.00 0.44 H new ATOM 0 HA ALA A 211 16.602 5.801 2.599 1.00 42.44 H new ATOM 0 HB1 ALA A 211 17.222 7.069 4.630 1.00 71.22 H new ATOM 0 HB2 ALA A 211 16.128 7.999 3.580 1.00 71.22 H new ATOM 0 HB3 ALA A 211 15.500 7.220 5.052 1.00 71.22 H new