USER MOD reduce.3.24.130724 H: found=0, std=0, add=599, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 582 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 175 CYS SG : rot 151:sc= 0.159 USER MOD Set 1.2: A 178 HIS : no HD1:sc= -0.939 X(o=0.23,f=0.73) USER MOD Set 1.3: A 195 CYS SG : rot -46:sc= 0.454 USER MOD Set 1.4: A 198 CYS SG : rot 54:sc= 0.559 USER MOD Set 2.1: A 187 CYS SG : rot 144:sc= 0.618 USER MOD Set 2.2: A 204 HIS : no HE2:sc= -1.52 K(o=-0.04,f=-2.4) USER MOD Set 2.3: A 207 HIS : no HD1:sc= 0.858 K(o=-0.04,f=-7.2!) USER MOD Set 3.1: A 134 CYS SG : rot 28:sc= 1.09 USER MOD Set 3.2: A 137 CYS SG : rot 92:sc= 0.00487 USER MOD Set 3.3: A 150 HIS : no HD1:sc= -0.616 K(o=0.45,f=-4.1!) USER MOD Set 3.4: A 159 HIS : no HE2:sc= -0.032 K(o=0.45,f=-6!) USER MOD Set 4.1: A 133 THR OG1 : rot 98:sc= -0.436 USER MOD Set 4.2: A 140 SER OG : rot 49:sc= -0.268 USER MOD Set 5.1: A 119 CYS SG : rot -156:sc= 0.103 USER MOD Set 5.2: A 122 CYS SG : rot 36:sc= 0.386 USER MOD Set 5.3: A 128 GLN : amide:sc= -0.311 K(o=1.4,f=-1.1!) USER MOD Set 5.4: A 142 CYS SG : rot -137:sc= -0.0189 USER MOD Set 5.5: A 145 CYS SG : rot -150:sc= 1.23 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 GLN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 124 GLN : amide:sc= 0.487 K(o=0.49,f=-0.44) USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 136 THR OG1 : rot 180:sc= 0.0792 USER MOD Single : A 141 TYR OH : rot -51:sc= 2.72 USER MOD Single : A 147 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 149 THR OG1 : rot -66:sc= 0.64 USER MOD Single : A 174 MET CE :methyl -107:sc= 0 (180deg=-1.16) USER MOD Single : A 182 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 184 ASN : amide:sc= -0.0426 K(o=-0.043,f=-4.8!) USER MOD Single : A 185 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 186 TYR OH : rot 159:sc= -1.09 USER MOD Single : A 189 THR OG1 : rot 180:sc= 0 USER MOD Single : A 192 GLN : amide:sc= -0.502 K(o=-0.5,f=-1.3) USER MOD Single : A 199 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 208 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 26 N LYS A 116 2.766 1.341 -5.024 1.00 73.23 N ATOM 27 CA LYS A 116 3.521 1.691 -6.221 1.00 54.44 C ATOM 28 C LYS A 116 2.631 2.402 -7.237 1.00 4.23 C ATOM 29 O LYS A 116 1.427 2.155 -7.302 1.00 41.35 O ATOM 30 CB LYS A 116 4.129 0.437 -6.851 1.00 65.51 C ATOM 31 CG LYS A 116 5.303 -0.128 -6.069 1.00 74.41 C ATOM 32 CD LYS A 116 5.634 -1.545 -6.507 1.00 21.32 C ATOM 33 CE LYS A 116 6.614 -2.209 -5.552 1.00 1.15 C ATOM 34 NZ LYS A 116 7.738 -2.864 -6.276 1.00 73.34 N ATOM 0 HA LYS A 116 4.323 2.369 -5.929 1.00 54.44 H new ATOM 0 HB2 LYS A 116 3.357 -0.328 -6.935 1.00 65.51 H new ATOM 0 HB3 LYS A 116 4.457 0.672 -7.864 1.00 65.51 H new ATOM 0 HG2 LYS A 116 6.175 0.510 -6.209 1.00 74.41 H new ATOM 0 HG3 LYS A 116 5.070 -0.120 -5.004 1.00 74.41 H new ATOM 0 HD2 LYS A 116 4.718 -2.134 -6.558 1.00 21.32 H new ATOM 0 HD3 LYS A 116 6.058 -1.527 -7.511 1.00 21.32 H new ATOM 0 HE2 LYS A 116 7.011 -1.463 -4.863 1.00 1.15 H new ATOM 0 HE3 LYS A 116 6.089 -2.951 -4.950 1.00 1.15 H new ATOM 0 HZ1 LYS A 116 8.383 -3.305 -5.590 1.00 73.34 H new ATOM 0 HZ2 LYS A 116 7.361 -3.593 -6.915 1.00 73.34 H new ATOM 0 HZ3 LYS A 116 8.256 -2.152 -6.830 1.00 73.34 H new ATOM 48 N VAL A 117 3.233 3.285 -8.028 1.00 31.11 N ATOM 49 CA VAL A 117 2.496 4.030 -9.042 1.00 31.51 C ATOM 50 C VAL A 117 2.053 3.117 -10.180 1.00 40.11 C ATOM 51 O VAL A 117 2.796 2.231 -10.605 1.00 52.34 O ATOM 52 CB VAL A 117 3.342 5.179 -9.620 1.00 3.31 C ATOM 53 CG1 VAL A 117 4.553 4.631 -10.359 1.00 44.54 C ATOM 54 CG2 VAL A 117 2.499 6.053 -10.535 1.00 54.35 C ATOM 0 H VAL A 117 4.229 3.502 -7.986 1.00 31.11 H new ATOM 0 HA VAL A 117 1.617 4.448 -8.552 1.00 31.51 H new ATOM 0 HB VAL A 117 3.699 5.795 -8.795 1.00 3.31 H new ATOM 0 HG11 VAL A 117 5.139 5.458 -10.761 1.00 44.54 H new ATOM 0 HG12 VAL A 117 5.168 4.051 -9.670 1.00 44.54 H new ATOM 0 HG13 VAL A 117 4.221 3.991 -11.176 1.00 44.54 H new ATOM 0 HG21 VAL A 117 3.113 6.860 -10.935 1.00 54.35 H new ATOM 0 HG22 VAL A 117 2.111 5.451 -11.357 1.00 54.35 H new ATOM 0 HG23 VAL A 117 1.668 6.475 -9.970 1.00 54.35 H new ATOM 64 N LEU A 118 0.838 3.339 -10.670 1.00 45.23 N ATOM 65 CA LEU A 118 0.295 2.537 -11.761 1.00 43.12 C ATOM 66 C LEU A 118 0.592 3.182 -13.111 1.00 62.13 C ATOM 67 O LEU A 118 0.531 4.406 -13.221 1.00 24.45 O ATOM 68 CB LEU A 118 -1.214 2.361 -11.588 1.00 73.12 C ATOM 69 CG LEU A 118 -1.657 1.452 -10.441 1.00 1.32 C ATOM 70 CD1 LEU A 118 -3.087 1.767 -10.032 1.00 14.33 C ATOM 71 CD2 LEU A 118 -1.524 -0.011 -10.837 1.00 45.22 C ATOM 0 H LEU A 118 0.211 4.067 -10.329 1.00 45.23 H new ATOM 0 HA LEU A 118 0.774 1.558 -11.734 1.00 43.12 H new ATOM 0 HB2 LEU A 118 -1.659 3.345 -11.438 1.00 73.12 H new ATOM 0 HB3 LEU A 118 -1.622 1.964 -12.518 1.00 73.12 H new ATOM 0 HG LEU A 118 -1.007 1.636 -9.586 1.00 1.32 H new ATOM 0 HD11 LEU A 118 -3.385 1.110 -9.215 1.00 14.33 H new ATOM 0 HD12 LEU A 118 -3.152 2.805 -9.705 1.00 14.33 H new ATOM 0 HD13 LEU A 118 -3.751 1.612 -10.882 1.00 14.33 H new ATOM 0 HD21 LEU A 118 -1.844 -0.643 -10.008 1.00 45.22 H new ATOM 0 HD22 LEU A 118 -2.149 -0.211 -11.708 1.00 45.22 H new ATOM 0 HD23 LEU A 118 -0.484 -0.229 -11.079 1.00 45.22 H new ATOM 83 N CYS A 119 0.901 2.355 -14.099 1.00 63.30 N ATOM 84 CA CYS A 119 1.201 2.856 -15.429 1.00 51.53 C ATOM 85 C CYS A 119 0.030 3.727 -15.889 1.00 41.52 C ATOM 86 O CYS A 119 -1.052 3.243 -16.220 1.00 65.23 O ATOM 87 CB CYS A 119 1.487 1.719 -16.412 1.00 15.01 C ATOM 88 SG CYS A 119 2.122 2.398 -17.988 1.00 54.21 S ATOM 0 H CYS A 119 0.950 1.341 -14.005 1.00 63.30 H new ATOM 0 HA CYS A 119 2.110 3.457 -15.397 1.00 51.53 H new ATOM 0 HB2 CYS A 119 2.216 1.031 -15.983 1.00 15.01 H new ATOM 0 HB3 CYS A 119 0.577 1.147 -16.593 1.00 15.01 H new ATOM 0 HG CYS A 119 1.893 1.552 -18.948 1.00 54.21 H new ATOM 93 N GLN A 120 0.273 5.034 -15.902 1.00 1.11 N ATOM 94 CA GLN A 120 -0.742 5.995 -16.315 1.00 54.41 C ATOM 95 C GLN A 120 -1.092 5.818 -17.789 1.00 0.40 C ATOM 96 O GLN A 120 -2.186 6.178 -18.226 1.00 25.02 O ATOM 97 CB GLN A 120 -0.256 7.423 -16.062 1.00 0.40 C ATOM 98 CG GLN A 120 -1.380 8.409 -15.788 1.00 10.43 C ATOM 99 CD GLN A 120 -0.876 9.822 -15.565 1.00 71.24 C ATOM 100 OE1 GLN A 120 0.293 10.121 -15.808 1.00 43.51 O ATOM 101 NE2 GLN A 120 -1.758 10.699 -15.101 1.00 53.25 N ATOM 0 H GLN A 120 1.164 5.451 -15.631 1.00 1.11 H new ATOM 0 HA GLN A 120 -1.639 5.814 -15.723 1.00 54.41 H new ATOM 0 HB2 GLN A 120 0.428 7.420 -15.214 1.00 0.40 H new ATOM 0 HB3 GLN A 120 0.312 7.763 -16.928 1.00 0.40 H new ATOM 0 HG2 GLN A 120 -2.075 8.404 -16.627 1.00 10.43 H new ATOM 0 HG3 GLN A 120 -1.938 8.083 -14.910 1.00 10.43 H new ATOM 0 HE21 GLN A 120 -2.717 10.407 -14.913 1.00 53.25 H new ATOM 0 HE22 GLN A 120 -1.476 11.665 -14.932 1.00 53.25 H new ATOM 110 N PHE A 121 -0.156 5.263 -18.551 1.00 71.53 N ATOM 111 CA PHE A 121 -0.365 5.039 -19.977 1.00 62.02 C ATOM 112 C PHE A 121 -0.728 3.583 -20.252 1.00 23.41 C ATOM 113 O PHE A 121 -0.268 3.024 -21.247 1.00 23.03 O ATOM 114 CB PHE A 121 0.891 5.421 -20.764 1.00 33.30 C ATOM 115 CG PHE A 121 0.945 6.874 -21.138 1.00 12.40 C ATOM 116 CD1 PHE A 121 0.585 7.852 -20.225 1.00 13.21 C ATOM 117 CD2 PHE A 121 1.355 7.263 -22.403 1.00 64.00 C ATOM 118 CE1 PHE A 121 0.634 9.191 -20.566 1.00 33.13 C ATOM 119 CE2 PHE A 121 1.407 8.600 -22.749 1.00 71.04 C ATOM 120 CZ PHE A 121 1.044 9.565 -21.830 1.00 44.00 C ATOM 0 H PHE A 121 0.755 4.960 -18.205 1.00 71.53 H new ATOM 0 HA PHE A 121 -1.194 5.669 -20.300 1.00 62.02 H new ATOM 0 HB2 PHE A 121 1.771 5.174 -20.170 1.00 33.30 H new ATOM 0 HB3 PHE A 121 0.939 4.819 -21.671 1.00 33.30 H new ATOM 0 HD1 PHE A 121 0.262 7.565 -19.235 1.00 13.21 H new ATOM 0 HD2 PHE A 121 1.637 6.513 -23.127 1.00 64.00 H new ATOM 0 HE1 PHE A 121 0.352 9.943 -19.844 1.00 33.13 H new ATOM 0 HE2 PHE A 121 1.731 8.890 -23.737 1.00 71.04 H new ATOM 0 HZ PHE A 121 1.081 10.610 -22.100 1.00 44.00 H new ATOM 130 N CYS A 122 -1.535 3.006 -19.374 1.00 13.32 N ATOM 131 CA CYS A 122 -1.948 1.622 -19.533 1.00 12.34 C ATOM 132 C CYS A 122 -3.461 1.595 -19.760 1.00 41.33 C ATOM 133 O CYS A 122 -4.229 2.321 -19.128 1.00 61.23 O ATOM 134 CB CYS A 122 -1.536 0.768 -18.332 1.00 74.20 C ATOM 135 SG CYS A 122 -0.300 -0.479 -18.846 1.00 61.42 S ATOM 0 H CYS A 122 -1.914 3.472 -18.550 1.00 13.32 H new ATOM 0 HA CYS A 122 -1.444 1.186 -20.396 1.00 12.34 H new ATOM 0 HB2 CYS A 122 -1.121 1.403 -17.549 1.00 74.20 H new ATOM 0 HB3 CYS A 122 -2.411 0.273 -17.910 1.00 74.20 H new ATOM 0 HG CYS A 122 0.475 0.028 -19.758 1.00 61.42 H new ATOM 140 N ASP A 123 -3.874 0.735 -20.685 1.00 12.53 N ATOM 141 CA ASP A 123 -5.287 0.590 -21.017 1.00 3.40 C ATOM 142 C ASP A 123 -5.701 -0.878 -20.999 1.00 51.44 C ATOM 143 O ASP A 123 -6.386 -1.349 -21.906 1.00 74.23 O ATOM 144 CB ASP A 123 -5.574 1.198 -22.391 1.00 15.02 C ATOM 145 CG ASP A 123 -6.999 1.702 -22.514 1.00 40.01 C ATOM 146 OD1 ASP A 123 -7.739 1.641 -21.510 1.00 75.40 O ATOM 147 OD2 ASP A 123 -7.373 2.159 -23.614 1.00 71.43 O ATOM 0 H ASP A 123 -3.251 0.128 -21.218 1.00 12.53 H new ATOM 0 HA ASP A 123 -5.869 1.122 -20.264 1.00 3.40 H new ATOM 0 HB2 ASP A 123 -4.883 2.022 -22.572 1.00 15.02 H new ATOM 0 HB3 ASP A 123 -5.388 0.450 -23.162 1.00 15.02 H new ATOM 152 N GLN A 124 -5.280 -1.594 -19.962 1.00 43.21 N ATOM 153 CA GLN A 124 -5.606 -3.009 -19.828 1.00 41.42 C ATOM 154 C GLN A 124 -6.946 -3.194 -19.124 1.00 22.02 C ATOM 155 O GLN A 124 -7.804 -3.945 -19.588 1.00 64.21 O ATOM 156 CB GLN A 124 -4.505 -3.737 -19.055 1.00 41.32 C ATOM 157 CG GLN A 124 -3.435 -4.345 -19.948 1.00 10.32 C ATOM 158 CD GLN A 124 -2.294 -4.955 -19.158 1.00 44.42 C ATOM 159 OE1 GLN A 124 -2.485 -5.442 -18.044 1.00 12.23 O ATOM 160 NE2 GLN A 124 -1.097 -4.931 -19.733 1.00 62.20 N ATOM 0 H GLN A 124 -4.713 -1.218 -19.202 1.00 43.21 H new ATOM 0 HA GLN A 124 -5.680 -3.435 -20.828 1.00 41.42 H new ATOM 0 HB2 GLN A 124 -4.035 -3.038 -18.363 1.00 41.32 H new ATOM 0 HB3 GLN A 124 -4.956 -4.526 -18.453 1.00 41.32 H new ATOM 0 HG2 GLN A 124 -3.886 -5.111 -20.579 1.00 10.32 H new ATOM 0 HG3 GLN A 124 -3.042 -3.576 -20.613 1.00 10.32 H new ATOM 0 HE21 GLN A 124 -0.984 -4.517 -20.658 1.00 62.20 H new ATOM 0 HE22 GLN A 124 -0.291 -5.327 -19.249 1.00 62.20 H new ATOM 169 N ASP A 125 -7.118 -2.505 -18.001 1.00 75.31 N ATOM 170 CA ASP A 125 -8.355 -2.593 -17.232 1.00 63.45 C ATOM 171 C ASP A 125 -8.564 -4.008 -16.701 1.00 55.20 C ATOM 172 O ASP A 125 -9.241 -4.834 -17.314 1.00 14.40 O ATOM 173 CB ASP A 125 -9.547 -2.177 -18.095 1.00 33.11 C ATOM 174 CG ASP A 125 -10.127 -0.841 -17.675 1.00 11.21 C ATOM 175 OD1 ASP A 125 -10.794 -0.789 -16.620 1.00 43.14 O ATOM 176 OD2 ASP A 125 -9.915 0.153 -18.401 1.00 41.01 O ATOM 0 H ASP A 125 -6.417 -1.880 -17.603 1.00 75.31 H new ATOM 0 HA ASP A 125 -8.277 -1.914 -16.383 1.00 63.45 H new ATOM 0 HB2 ASP A 125 -9.235 -2.123 -19.138 1.00 33.11 H new ATOM 0 HB3 ASP A 125 -10.321 -2.942 -18.033 1.00 33.11 H new ATOM 181 N PRO A 126 -7.970 -4.296 -15.534 1.00 22.02 N ATOM 182 CA PRO A 126 -7.161 -3.321 -14.795 1.00 72.45 C ATOM 183 C PRO A 126 -5.846 -3.007 -15.500 1.00 61.00 C ATOM 184 O PRO A 126 -5.342 -3.812 -16.283 1.00 33.24 O ATOM 185 CB PRO A 126 -6.898 -4.019 -13.459 1.00 12.15 C ATOM 186 CG PRO A 126 -7.004 -5.473 -13.763 1.00 20.42 C ATOM 187 CD PRO A 126 -8.041 -5.596 -14.845 1.00 43.32 C ATOM 0 HA PRO A 126 -7.668 -2.361 -14.697 1.00 72.45 H new ATOM 0 HB2 PRO A 126 -5.912 -3.767 -13.068 1.00 12.15 H new ATOM 0 HB3 PRO A 126 -7.626 -3.718 -12.705 1.00 12.15 H new ATOM 0 HG2 PRO A 126 -6.046 -5.873 -14.094 1.00 20.42 H new ATOM 0 HG3 PRO A 126 -7.296 -6.037 -12.877 1.00 20.42 H new ATOM 0 HD2 PRO A 126 -7.820 -6.422 -15.521 1.00 43.32 H new ATOM 0 HD3 PRO A 126 -9.033 -5.778 -14.432 1.00 43.32 H new ATOM 195 N ALA A 127 -5.294 -1.831 -15.217 1.00 34.53 N ATOM 196 CA ALA A 127 -4.036 -1.412 -15.822 1.00 33.33 C ATOM 197 C ALA A 127 -2.846 -2.041 -15.105 1.00 12.24 C ATOM 198 O ALA A 127 -3.003 -2.673 -14.060 1.00 50.24 O ATOM 199 CB ALA A 127 -3.923 0.105 -15.806 1.00 60.15 C ATOM 0 H ALA A 127 -5.699 -1.152 -14.572 1.00 34.53 H new ATOM 0 HA ALA A 127 -4.026 -1.755 -16.856 1.00 33.33 H new ATOM 0 HB1 ALA A 127 -2.979 0.404 -16.261 1.00 60.15 H new ATOM 0 HB2 ALA A 127 -4.750 0.537 -16.369 1.00 60.15 H new ATOM 0 HB3 ALA A 127 -3.959 0.462 -14.777 1.00 60.15 H new ATOM 205 N GLN A 128 -1.658 -1.863 -15.673 1.00 22.13 N ATOM 206 CA GLN A 128 -0.442 -2.415 -15.087 1.00 43.31 C ATOM 207 C GLN A 128 0.281 -1.368 -14.246 1.00 41.42 C ATOM 208 O GLN A 128 -0.174 -0.230 -14.128 1.00 13.01 O ATOM 209 CB GLN A 128 0.488 -2.935 -16.185 1.00 51.41 C ATOM 210 CG GLN A 128 0.935 -4.372 -15.974 1.00 30.14 C ATOM 211 CD GLN A 128 1.545 -4.983 -17.220 1.00 11.12 C ATOM 212 OE1 GLN A 128 1.889 -4.276 -18.167 1.00 43.31 O ATOM 213 NE2 GLN A 128 1.682 -6.304 -17.226 1.00 1.32 N ATOM 0 H GLN A 128 -1.511 -1.342 -16.537 1.00 22.13 H new ATOM 0 HA GLN A 128 -0.725 -3.244 -14.438 1.00 43.31 H new ATOM 0 HB2 GLN A 128 -0.020 -2.859 -17.146 1.00 51.41 H new ATOM 0 HB3 GLN A 128 1.368 -2.294 -16.238 1.00 51.41 H new ATOM 0 HG2 GLN A 128 1.663 -4.407 -15.163 1.00 30.14 H new ATOM 0 HG3 GLN A 128 0.081 -4.972 -15.661 1.00 30.14 H new ATOM 0 HE21 GLN A 128 1.383 -6.851 -16.419 1.00 1.32 H new ATOM 0 HE22 GLN A 128 2.086 -6.771 -18.038 1.00 1.32 H new ATOM 222 N ASP A 129 1.409 -1.759 -13.664 1.00 61.41 N ATOM 223 CA ASP A 129 2.196 -0.854 -12.834 1.00 73.33 C ATOM 224 C ASP A 129 3.527 -0.524 -13.502 1.00 1.03 C ATOM 225 O ASP A 129 4.089 -1.344 -14.227 1.00 4.02 O ATOM 226 CB ASP A 129 2.441 -1.474 -11.458 1.00 0.35 C ATOM 227 CG ASP A 129 3.381 -2.662 -11.516 1.00 52.14 C ATOM 228 OD1 ASP A 129 3.276 -3.454 -12.476 1.00 41.42 O ATOM 229 OD2 ASP A 129 4.220 -2.801 -10.602 1.00 44.41 O ATOM 0 H ASP A 129 1.799 -2.697 -13.752 1.00 61.41 H new ATOM 0 HA ASP A 129 1.632 0.071 -12.712 1.00 73.33 H new ATOM 0 HB2 ASP A 129 2.856 -0.718 -10.791 1.00 0.35 H new ATOM 0 HB3 ASP A 129 1.489 -1.788 -11.030 1.00 0.35 H new ATOM 234 N ALA A 130 4.025 0.683 -13.252 1.00 71.23 N ATOM 235 CA ALA A 130 5.290 1.121 -13.828 1.00 42.11 C ATOM 236 C ALA A 130 6.473 0.561 -13.045 1.00 51.21 C ATOM 237 O ALA A 130 6.610 0.808 -11.847 1.00 11.11 O ATOM 238 CB ALA A 130 5.353 2.641 -13.868 1.00 63.24 C ATOM 0 H ALA A 130 3.572 1.374 -12.655 1.00 71.23 H new ATOM 0 HA ALA A 130 5.349 0.739 -14.847 1.00 42.11 H new ATOM 0 HB1 ALA A 130 6.303 2.955 -14.300 1.00 63.24 H new ATOM 0 HB2 ALA A 130 4.534 3.023 -14.477 1.00 63.24 H new ATOM 0 HB3 ALA A 130 5.268 3.035 -12.855 1.00 63.24 H new ATOM 244 N VAL A 131 7.325 -0.195 -13.730 1.00 3.12 N ATOM 245 CA VAL A 131 8.497 -0.790 -13.098 1.00 41.22 C ATOM 246 C VAL A 131 9.781 -0.133 -13.592 1.00 51.43 C ATOM 247 O VAL A 131 10.810 -0.170 -12.918 1.00 1.43 O ATOM 248 CB VAL A 131 8.572 -2.304 -13.368 1.00 71.42 C ATOM 249 CG1 VAL A 131 7.326 -3.003 -12.844 1.00 43.51 C ATOM 250 CG2 VAL A 131 8.758 -2.572 -14.854 1.00 53.31 C ATOM 0 H VAL A 131 7.226 -0.410 -14.722 1.00 3.12 H new ATOM 0 HA VAL A 131 8.397 -0.624 -12.025 1.00 41.22 H new ATOM 0 HB VAL A 131 9.435 -2.707 -12.839 1.00 71.42 H new ATOM 0 HG11 VAL A 131 7.397 -4.072 -13.044 1.00 43.51 H new ATOM 0 HG12 VAL A 131 7.242 -2.840 -11.770 1.00 43.51 H new ATOM 0 HG13 VAL A 131 6.445 -2.599 -13.343 1.00 43.51 H new ATOM 0 HG21 VAL A 131 8.809 -3.647 -15.026 1.00 53.31 H new ATOM 0 HG22 VAL A 131 7.916 -2.155 -15.407 1.00 53.31 H new ATOM 0 HG23 VAL A 131 9.682 -2.106 -15.195 1.00 53.31 H new ATOM 260 N LYS A 132 9.713 0.470 -14.775 1.00 24.14 N ATOM 261 CA LYS A 132 10.869 1.138 -15.360 1.00 44.24 C ATOM 262 C LYS A 132 10.599 2.627 -15.550 1.00 55.24 C ATOM 263 O LYS A 132 9.460 3.082 -15.436 1.00 73.31 O ATOM 264 CB LYS A 132 11.227 0.499 -16.704 1.00 25.42 C ATOM 265 CG LYS A 132 12.389 -0.476 -16.623 1.00 25.11 C ATOM 266 CD LYS A 132 12.889 -0.865 -18.004 1.00 54.35 C ATOM 267 CE LYS A 132 14.192 -1.644 -17.927 1.00 64.32 C ATOM 268 NZ LYS A 132 14.709 -1.996 -19.279 1.00 20.42 N ATOM 0 H LYS A 132 8.869 0.509 -15.347 1.00 24.14 H new ATOM 0 HA LYS A 132 11.709 1.023 -14.674 1.00 44.24 H new ATOM 0 HB2 LYS A 132 10.353 -0.022 -17.093 1.00 25.42 H new ATOM 0 HB3 LYS A 132 11.473 1.286 -17.417 1.00 25.42 H new ATOM 0 HG2 LYS A 132 13.203 -0.027 -16.054 1.00 25.11 H new ATOM 0 HG3 LYS A 132 12.078 -1.370 -16.083 1.00 25.11 H new ATOM 0 HD2 LYS A 132 12.134 -1.467 -18.509 1.00 54.35 H new ATOM 0 HD3 LYS A 132 13.036 0.032 -18.605 1.00 54.35 H new ATOM 0 HE2 LYS A 132 14.938 -1.053 -17.396 1.00 64.32 H new ATOM 0 HE3 LYS A 132 14.037 -2.555 -17.349 1.00 64.32 H new ATOM 0 HZ1 LYS A 132 15.598 -2.526 -19.183 1.00 20.42 H new ATOM 0 HZ2 LYS A 132 14.008 -2.582 -19.777 1.00 20.42 H new ATOM 0 HZ3 LYS A 132 14.882 -1.126 -19.822 1.00 20.42 H new ATOM 282 N THR A 133 11.652 3.383 -15.843 1.00 3.33 N ATOM 283 CA THR A 133 11.528 4.821 -16.049 1.00 20.30 C ATOM 284 C THR A 133 12.654 5.349 -16.931 1.00 12.05 C ATOM 285 O THR A 133 13.817 5.048 -16.666 1.00 52.01 O ATOM 286 CB THR A 133 11.538 5.583 -14.711 1.00 3.34 C ATOM 287 OG1 THR A 133 10.510 5.079 -13.851 1.00 71.24 O ATOM 288 CG2 THR A 133 11.332 7.074 -14.935 1.00 65.45 C ATOM 0 H THR A 133 12.601 3.023 -15.943 1.00 3.33 H new ATOM 0 HA THR A 133 10.572 4.988 -16.546 1.00 20.30 H new ATOM 0 HB THR A 133 12.510 5.433 -14.241 1.00 3.34 H new ATOM 0 HG1 THR A 133 10.897 4.437 -13.220 1.00 71.24 H new ATOM 0 HG21 THR A 133 11.343 7.591 -13.975 1.00 65.45 H new ATOM 0 HG22 THR A 133 12.133 7.461 -15.565 1.00 65.45 H new ATOM 0 HG23 THR A 133 10.373 7.239 -15.425 1.00 65.45 H new ATOM 296 N CYS A 134 12.290 6.117 -17.947 1.00 70.11 N ATOM 297 CA CYS A 134 13.278 6.677 -18.853 1.00 62.12 C ATOM 298 C CYS A 134 13.634 8.083 -18.367 1.00 14.33 C ATOM 299 O CYS A 134 12.782 8.859 -17.932 1.00 72.15 O ATOM 300 CB CYS A 134 12.780 6.682 -20.300 1.00 5.20 C ATOM 301 SG CYS A 134 14.075 7.356 -21.405 1.00 14.15 S ATOM 0 H CYS A 134 11.324 6.365 -18.163 1.00 70.11 H new ATOM 0 HA CYS A 134 14.173 6.055 -18.848 1.00 62.12 H new ATOM 0 HB2 CYS A 134 12.519 5.669 -20.607 1.00 5.20 H new ATOM 0 HB3 CYS A 134 11.874 7.282 -20.379 1.00 5.20 H new ATOM 0 HG CYS A 134 15.247 7.125 -20.892 1.00 14.15 H new ATOM 306 N VAL A 135 14.923 8.397 -18.450 1.00 15.53 N ATOM 307 CA VAL A 135 15.420 9.701 -18.027 1.00 25.12 C ATOM 308 C VAL A 135 15.199 10.751 -19.109 1.00 44.34 C ATOM 309 O VAL A 135 14.576 11.786 -18.869 1.00 74.32 O ATOM 310 CB VAL A 135 16.920 9.644 -17.681 1.00 63.32 C ATOM 311 CG1 VAL A 135 17.377 10.957 -17.065 1.00 10.21 C ATOM 312 CG2 VAL A 135 17.207 8.478 -16.746 1.00 41.42 C ATOM 0 H VAL A 135 15.642 7.767 -18.806 1.00 15.53 H new ATOM 0 HA VAL A 135 14.859 9.980 -17.135 1.00 25.12 H new ATOM 0 HB VAL A 135 17.482 9.488 -18.602 1.00 63.32 H new ATOM 0 HG11 VAL A 135 18.439 10.897 -16.827 1.00 10.21 H new ATOM 0 HG12 VAL A 135 17.209 11.769 -17.772 1.00 10.21 H new ATOM 0 HG13 VAL A 135 16.811 11.147 -16.153 1.00 10.21 H new ATOM 0 HG21 VAL A 135 18.271 8.453 -16.512 1.00 41.42 H new ATOM 0 HG22 VAL A 135 16.636 8.600 -15.826 1.00 41.42 H new ATOM 0 HG23 VAL A 135 16.920 7.544 -17.230 1.00 41.42 H new ATOM 322 N THR A 136 15.715 10.479 -20.304 1.00 53.34 N ATOM 323 CA THR A 136 15.575 11.401 -21.425 1.00 35.41 C ATOM 324 C THR A 136 14.113 11.766 -21.657 1.00 11.45 C ATOM 325 O THR A 136 13.837 12.854 -22.160 1.00 44.30 O ATOM 326 CB THR A 136 16.154 10.802 -22.721 1.00 34.35 C ATOM 327 OG1 THR A 136 17.098 9.773 -22.405 1.00 70.42 O ATOM 328 CG2 THR A 136 16.828 11.877 -23.559 1.00 64.42 C ATOM 0 H THR A 136 16.234 9.628 -20.520 1.00 53.34 H new ATOM 0 HA THR A 136 16.135 12.300 -21.167 1.00 35.41 H new ATOM 0 HB THR A 136 15.333 10.376 -23.298 1.00 34.35 H new ATOM 0 HG1 THR A 136 17.460 9.396 -23.234 1.00 70.42 H new ATOM 0 HG21 THR A 136 17.229 11.431 -24.469 1.00 64.42 H new ATOM 0 HG22 THR A 136 16.099 12.644 -23.822 1.00 64.42 H new ATOM 0 HG23 THR A 136 17.639 12.328 -22.988 1.00 64.42 H new ATOM 336 N CYS A 137 13.218 10.862 -21.288 1.00 73.43 N ATOM 337 CA CYS A 137 11.795 11.103 -21.461 1.00 64.20 C ATOM 338 C CYS A 137 11.255 11.730 -20.174 1.00 74.44 C ATOM 339 O CYS A 137 10.336 12.548 -20.184 1.00 73.25 O ATOM 340 CB CYS A 137 11.045 9.822 -21.831 1.00 22.52 C ATOM 341 SG CYS A 137 11.530 9.274 -23.508 1.00 40.44 S ATOM 0 H CYS A 137 13.450 9.961 -20.870 1.00 73.43 H new ATOM 0 HA CYS A 137 11.638 11.790 -22.293 1.00 64.20 H new ATOM 0 HB2 CYS A 137 11.266 9.039 -21.106 1.00 22.52 H new ATOM 0 HB3 CYS A 137 9.970 9.997 -21.793 1.00 22.52 H new ATOM 0 HG CYS A 137 12.522 8.438 -23.421 1.00 40.44 H new ATOM 346 N GLU A 138 11.851 11.323 -19.058 1.00 11.42 N ATOM 347 CA GLU A 138 11.448 11.828 -17.750 1.00 43.24 C ATOM 348 C GLU A 138 10.016 11.415 -17.425 1.00 53.33 C ATOM 349 O GLU A 138 9.206 12.233 -16.987 1.00 23.21 O ATOM 350 CB GLU A 138 11.574 13.353 -17.707 1.00 34.40 C ATOM 351 CG GLU A 138 11.864 13.900 -16.320 1.00 11.23 C ATOM 352 CD GLU A 138 11.743 15.410 -16.252 1.00 4.25 C ATOM 353 OE1 GLU A 138 12.656 16.101 -16.751 1.00 64.41 O ATOM 354 OE2 GLU A 138 10.737 15.901 -15.699 1.00 3.41 O ATOM 0 H GLU A 138 12.614 10.646 -19.033 1.00 11.42 H new ATOM 0 HA GLU A 138 12.111 11.395 -17.001 1.00 43.24 H new ATOM 0 HB2 GLU A 138 12.370 13.663 -18.384 1.00 34.40 H new ATOM 0 HB3 GLU A 138 10.650 13.796 -18.077 1.00 34.40 H new ATOM 0 HG2 GLU A 138 11.174 13.451 -15.605 1.00 11.23 H new ATOM 0 HG3 GLU A 138 12.870 13.606 -16.020 1.00 11.23 H new ATOM 361 N VAL A 139 9.709 10.140 -17.644 1.00 44.42 N ATOM 362 CA VAL A 139 8.375 9.617 -17.375 1.00 3.55 C ATOM 363 C VAL A 139 8.444 8.210 -16.792 1.00 1.43 C ATOM 364 O VAL A 139 9.391 7.467 -17.048 1.00 73.34 O ATOM 365 CB VAL A 139 7.514 9.591 -18.651 1.00 62.03 C ATOM 366 CG1 VAL A 139 6.062 9.295 -18.310 1.00 31.40 C ATOM 367 CG2 VAL A 139 7.636 10.908 -19.403 1.00 32.02 C ATOM 0 H VAL A 139 10.367 9.450 -18.007 1.00 44.42 H new ATOM 0 HA VAL A 139 7.913 10.286 -16.649 1.00 3.55 H new ATOM 0 HB VAL A 139 7.880 8.794 -19.299 1.00 62.03 H new ATOM 0 HG11 VAL A 139 5.469 9.281 -19.225 1.00 31.40 H new ATOM 0 HG12 VAL A 139 5.994 8.324 -17.818 1.00 31.40 H new ATOM 0 HG13 VAL A 139 5.680 10.067 -17.642 1.00 31.40 H new ATOM 0 HG21 VAL A 139 7.021 10.872 -20.302 1.00 32.02 H new ATOM 0 HG22 VAL A 139 7.298 11.724 -18.765 1.00 32.02 H new ATOM 0 HG23 VAL A 139 8.677 11.073 -19.682 1.00 32.02 H new ATOM 377 N SER A 140 7.434 7.851 -16.006 1.00 11.30 N ATOM 378 CA SER A 140 7.381 6.534 -15.383 1.00 72.23 C ATOM 379 C SER A 140 6.322 5.660 -16.049 1.00 52.43 C ATOM 380 O SER A 140 5.130 5.964 -15.999 1.00 54.13 O ATOM 381 CB SER A 140 7.084 6.665 -13.888 1.00 71.52 C ATOM 382 OG SER A 140 7.412 5.472 -13.197 1.00 21.11 O ATOM 0 H SER A 140 6.641 8.454 -15.786 1.00 11.30 H new ATOM 0 HA SER A 140 8.353 6.059 -15.513 1.00 72.23 H new ATOM 0 HB2 SER A 140 7.652 7.498 -13.473 1.00 71.52 H new ATOM 0 HB3 SER A 140 6.029 6.895 -13.742 1.00 71.52 H new ATOM 0 HG SER A 140 8.313 5.183 -13.452 1.00 21.11 H new ATOM 388 N TYR A 141 6.766 4.575 -16.672 1.00 60.33 N ATOM 389 CA TYR A 141 5.858 3.658 -17.351 1.00 21.41 C ATOM 390 C TYR A 141 6.187 2.209 -17.003 1.00 72.14 C ATOM 391 O TYR A 141 7.116 1.969 -16.235 1.00 25.24 O ATOM 392 CB TYR A 141 5.933 3.860 -18.865 1.00 52.12 C ATOM 393 CG TYR A 141 5.319 5.160 -19.333 1.00 44.43 C ATOM 394 CD1 TYR A 141 4.122 5.619 -18.799 1.00 34.42 C ATOM 395 CD2 TYR A 141 5.938 5.931 -20.310 1.00 5.44 C ATOM 396 CE1 TYR A 141 3.557 6.806 -19.224 1.00 64.41 C ATOM 397 CE2 TYR A 141 5.382 7.120 -20.740 1.00 2.51 C ATOM 398 CZ TYR A 141 4.191 7.553 -20.195 1.00 24.04 C ATOM 399 OH TYR A 141 3.633 8.737 -20.620 1.00 23.31 O ATOM 0 H TYR A 141 7.749 4.308 -16.721 1.00 60.33 H new ATOM 0 HA TYR A 141 4.845 3.873 -17.013 1.00 21.41 H new ATOM 0 HB2 TYR A 141 6.977 3.828 -19.176 1.00 52.12 H new ATOM 0 HB3 TYR A 141 5.428 3.030 -19.359 1.00 52.12 H new ATOM 0 HD1 TYR A 141 3.624 5.037 -18.038 1.00 34.42 H new ATOM 0 HD2 TYR A 141 6.870 5.595 -20.740 1.00 5.44 H new ATOM 0 HE1 TYR A 141 2.625 7.147 -18.799 1.00 64.41 H new ATOM 0 HE2 TYR A 141 5.877 7.708 -21.499 1.00 2.51 H new ATOM 0 HH TYR A 141 2.697 8.587 -20.867 1.00 23.31 H new ATOM 409 N CYS A 142 5.425 1.285 -17.572 1.00 4.52 N ATOM 410 CA CYS A 142 5.646 -0.128 -17.315 1.00 54.34 C ATOM 411 C CYS A 142 6.427 -0.714 -18.493 1.00 53.43 C ATOM 412 O CYS A 142 6.571 -0.100 -19.551 1.00 13.23 O ATOM 413 CB CYS A 142 4.330 -0.871 -17.077 1.00 32.12 C ATOM 414 SG CYS A 142 3.477 -1.160 -18.670 1.00 33.43 S ATOM 0 H CYS A 142 4.655 1.488 -18.209 1.00 4.52 H new ATOM 0 HA CYS A 142 6.226 -0.248 -16.400 1.00 54.34 H new ATOM 0 HB2 CYS A 142 4.524 -1.822 -16.581 1.00 32.12 H new ATOM 0 HB3 CYS A 142 3.690 -0.290 -16.413 1.00 32.12 H new ATOM 0 HG CYS A 142 2.210 -0.901 -18.537 1.00 33.43 H new ATOM 419 N ASP A 143 6.931 -1.925 -18.285 1.00 44.34 N ATOM 420 CA ASP A 143 7.700 -2.619 -19.312 1.00 24.14 C ATOM 421 C ASP A 143 6.877 -2.791 -20.584 1.00 61.23 C ATOM 422 O ASP A 143 7.388 -2.626 -21.692 1.00 32.54 O ATOM 423 CB ASP A 143 8.160 -3.985 -18.798 1.00 41.52 C ATOM 424 CG ASP A 143 9.148 -4.653 -19.735 1.00 14.44 C ATOM 425 OD1 ASP A 143 9.337 -4.144 -20.859 1.00 53.35 O ATOM 426 OD2 ASP A 143 9.732 -5.684 -19.342 1.00 40.13 O ATOM 0 H ASP A 143 6.821 -2.447 -17.415 1.00 44.34 H new ATOM 0 HA ASP A 143 8.576 -2.014 -19.547 1.00 24.14 H new ATOM 0 HB2 ASP A 143 8.618 -3.865 -17.816 1.00 41.52 H new ATOM 0 HB3 ASP A 143 7.293 -4.632 -18.668 1.00 41.52 H new ATOM 431 N GLU A 144 5.601 -3.124 -20.417 1.00 61.42 N ATOM 432 CA GLU A 144 4.708 -3.321 -21.553 1.00 44.44 C ATOM 433 C GLU A 144 4.778 -2.135 -22.511 1.00 43.13 C ATOM 434 O GLU A 144 5.235 -2.299 -23.641 1.00 64.04 O ATOM 435 CB GLU A 144 3.269 -3.517 -21.072 1.00 24.12 C ATOM 436 CG GLU A 144 2.434 -4.391 -21.992 1.00 33.33 C ATOM 437 CD GLU A 144 1.190 -3.685 -22.496 1.00 60.42 C ATOM 438 OE1 GLU A 144 0.318 -3.353 -21.667 1.00 2.35 O ATOM 439 OE2 GLU A 144 1.089 -3.466 -23.721 1.00 43.35 O ATOM 0 H GLU A 144 5.163 -3.263 -19.507 1.00 61.42 H new ATOM 0 HA GLU A 144 5.030 -4.216 -22.085 1.00 44.44 H new ATOM 0 HB2 GLU A 144 3.285 -3.962 -20.077 1.00 24.12 H new ATOM 0 HB3 GLU A 144 2.790 -2.542 -20.977 1.00 24.12 H new ATOM 0 HG2 GLU A 144 3.041 -4.701 -22.843 1.00 33.33 H new ATOM 0 HG3 GLU A 144 2.143 -5.297 -21.461 1.00 33.33 H new ATOM 446 N CYS A 145 4.328 -0.980 -22.044 1.00 41.54 N ATOM 447 CA CYS A 145 4.345 0.218 -22.868 1.00 34.35 C ATOM 448 C CYS A 145 5.792 0.502 -23.273 1.00 3.23 C ATOM 449 O CYS A 145 6.094 0.852 -24.414 1.00 45.34 O ATOM 450 CB CYS A 145 3.709 1.408 -22.147 1.00 1.52 C ATOM 451 SG CYS A 145 2.040 0.959 -21.547 1.00 32.42 S ATOM 0 H CYS A 145 3.949 -0.848 -21.106 1.00 41.54 H new ATOM 0 HA CYS A 145 3.744 0.056 -23.763 1.00 34.35 H new ATOM 0 HB2 CYS A 145 4.336 1.713 -21.309 1.00 1.52 H new ATOM 0 HB3 CYS A 145 3.644 2.261 -22.823 1.00 1.52 H new ATOM 0 HG CYS A 145 1.288 2.019 -21.523 1.00 32.42 H new ATOM 456 N LEU A 146 6.688 0.343 -22.305 1.00 12.14 N ATOM 457 CA LEU A 146 8.110 0.575 -22.532 1.00 50.52 C ATOM 458 C LEU A 146 8.597 -0.190 -23.758 1.00 44.33 C ATOM 459 O LEU A 146 9.574 0.200 -24.399 1.00 71.22 O ATOM 460 CB LEU A 146 8.918 0.159 -21.302 1.00 62.31 C ATOM 461 CG LEU A 146 10.422 0.430 -21.364 1.00 32.35 C ATOM 462 CD1 LEU A 146 10.767 1.698 -20.599 1.00 41.44 C ATOM 463 CD2 LEU A 146 11.200 -0.756 -20.812 1.00 44.22 C ATOM 0 H LEU A 146 6.455 0.054 -21.355 1.00 12.14 H new ATOM 0 HA LEU A 146 8.255 1.640 -22.710 1.00 50.52 H new ATOM 0 HB2 LEU A 146 8.511 0.676 -20.433 1.00 62.31 H new ATOM 0 HB3 LEU A 146 8.768 -0.908 -21.137 1.00 62.31 H new ATOM 0 HG LEU A 146 10.704 0.571 -22.407 1.00 32.35 H new ATOM 0 HD11 LEU A 146 11.841 1.875 -20.654 1.00 41.44 H new ATOM 0 HD12 LEU A 146 10.237 2.543 -21.038 1.00 41.44 H new ATOM 0 HD13 LEU A 146 10.471 1.586 -19.556 1.00 41.44 H new ATOM 0 HD21 LEU A 146 12.268 -0.546 -20.864 1.00 44.22 H new ATOM 0 HD22 LEU A 146 10.914 -0.928 -19.774 1.00 44.22 H new ATOM 0 HD23 LEU A 146 10.976 -1.645 -21.402 1.00 44.22 H new ATOM 475 N LYS A 147 7.910 -1.280 -24.081 1.00 13.21 N ATOM 476 CA LYS A 147 8.269 -2.099 -25.232 1.00 42.04 C ATOM 477 C LYS A 147 7.776 -1.463 -26.528 1.00 1.40 C ATOM 478 O LYS A 147 8.513 -1.381 -27.510 1.00 2.21 O ATOM 479 CB LYS A 147 7.683 -3.505 -25.087 1.00 32.01 C ATOM 480 CG LYS A 147 8.320 -4.528 -26.011 1.00 22.43 C ATOM 481 CD LYS A 147 7.466 -5.780 -26.131 1.00 3.53 C ATOM 482 CE LYS A 147 7.471 -6.584 -24.840 1.00 0.44 C ATOM 483 NZ LYS A 147 6.575 -7.770 -24.922 1.00 22.30 N ATOM 0 H LYS A 147 7.100 -1.617 -23.561 1.00 13.21 H new ATOM 0 HA LYS A 147 9.356 -2.167 -25.272 1.00 42.04 H new ATOM 0 HB2 LYS A 147 7.804 -3.835 -24.055 1.00 32.01 H new ATOM 0 HB3 LYS A 147 6.612 -3.465 -25.286 1.00 32.01 H new ATOM 0 HG2 LYS A 147 8.463 -4.088 -26.998 1.00 22.43 H new ATOM 0 HG3 LYS A 147 9.307 -4.795 -25.634 1.00 22.43 H new ATOM 0 HD2 LYS A 147 6.443 -5.501 -26.383 1.00 3.53 H new ATOM 0 HD3 LYS A 147 7.838 -6.399 -26.948 1.00 3.53 H new ATOM 0 HE2 LYS A 147 8.487 -6.911 -24.620 1.00 0.44 H new ATOM 0 HE3 LYS A 147 7.155 -5.947 -24.014 1.00 0.44 H new ATOM 0 HZ1 LYS A 147 6.606 -8.292 -24.023 1.00 22.30 H new ATOM 0 HZ2 LYS A 147 5.601 -7.457 -25.107 1.00 22.30 H new ATOM 0 HZ3 LYS A 147 6.891 -8.391 -25.694 1.00 22.30 H new ATOM 497 N ALA A 148 6.526 -1.012 -26.522 1.00 73.43 N ATOM 498 CA ALA A 148 5.936 -0.380 -27.696 1.00 21.21 C ATOM 499 C ALA A 148 6.604 0.958 -27.992 1.00 41.24 C ATOM 500 O ALA A 148 6.826 1.310 -29.151 1.00 43.34 O ATOM 501 CB ALA A 148 4.439 -0.193 -27.498 1.00 41.24 C ATOM 0 H ALA A 148 5.902 -1.072 -25.717 1.00 73.43 H new ATOM 0 HA ALA A 148 6.099 -1.035 -28.552 1.00 21.21 H new ATOM 0 HB1 ALA A 148 4.011 0.280 -28.382 1.00 41.24 H new ATOM 0 HB2 ALA A 148 3.969 -1.164 -27.342 1.00 41.24 H new ATOM 0 HB3 ALA A 148 4.263 0.439 -26.628 1.00 41.24 H new ATOM 507 N THR A 149 6.922 1.702 -26.938 1.00 3.24 N ATOM 508 CA THR A 149 7.563 3.003 -27.085 1.00 62.20 C ATOM 509 C THR A 149 9.061 2.854 -27.325 1.00 22.44 C ATOM 510 O THR A 149 9.609 3.426 -28.267 1.00 64.43 O ATOM 511 CB THR A 149 7.339 3.884 -25.842 1.00 31.25 C ATOM 512 OG1 THR A 149 7.591 3.127 -24.653 1.00 21.53 O ATOM 513 CG2 THR A 149 5.918 4.426 -25.812 1.00 11.04 C ATOM 0 H THR A 149 6.746 1.426 -25.972 1.00 3.24 H new ATOM 0 HA THR A 149 7.105 3.484 -27.949 1.00 62.20 H new ATOM 0 HB THR A 149 8.031 4.725 -25.890 1.00 31.25 H new ATOM 0 HG1 THR A 149 6.922 2.415 -24.570 1.00 21.53 H new ATOM 0 HG21 THR A 149 5.783 5.045 -24.925 1.00 11.04 H new ATOM 0 HG22 THR A 149 5.739 5.026 -26.704 1.00 11.04 H new ATOM 0 HG23 THR A 149 5.212 3.596 -25.785 1.00 11.04 H new ATOM 521 N HIS A 150 9.719 2.081 -26.466 1.00 21.00 N ATOM 522 CA HIS A 150 11.155 1.856 -26.586 1.00 22.53 C ATOM 523 C HIS A 150 11.445 0.425 -27.031 1.00 4.33 C ATOM 524 O HIS A 150 11.637 -0.477 -26.216 1.00 31.53 O ATOM 525 CB HIS A 150 11.850 2.138 -25.253 1.00 40.44 C ATOM 526 CG HIS A 150 11.675 3.546 -24.773 1.00 53.35 C ATOM 527 ND1 HIS A 150 10.968 4.499 -25.477 1.00 31.41 N ATOM 528 CD2 HIS A 150 12.118 4.161 -23.652 1.00 31.00 C ATOM 529 CE1 HIS A 150 10.985 5.639 -24.810 1.00 24.33 C ATOM 530 NE2 HIS A 150 11.676 5.460 -23.698 1.00 45.43 N ATOM 0 H HIS A 150 9.281 1.601 -25.680 1.00 21.00 H new ATOM 0 HA HIS A 150 11.543 2.539 -27.341 1.00 22.53 H new ATOM 0 HB2 HIS A 150 11.461 1.454 -24.498 1.00 40.44 H new ATOM 0 HB3 HIS A 150 12.915 1.927 -25.356 1.00 40.44 H new ATOM 0 HD2 HIS A 150 12.709 3.713 -22.867 1.00 31.00 H new ATOM 0 HE1 HIS A 150 10.514 6.560 -25.121 1.00 24.33 H new ATOM 0 HE2 HIS A 150 11.852 6.172 -22.989 1.00 45.43 H new ATOM 664 N HIS A 159 18.208 5.404 -26.038 1.00 3.33 N ATOM 665 CA HIS A 159 17.464 5.935 -24.901 1.00 73.12 C ATOM 666 C HIS A 159 18.121 5.531 -23.585 1.00 32.21 C ATOM 667 O HIS A 159 18.385 4.352 -23.348 1.00 73.11 O ATOM 668 CB HIS A 159 16.018 5.440 -24.936 1.00 34.11 C ATOM 669 CG HIS A 159 15.085 6.366 -25.654 1.00 35.05 C ATOM 670 ND1 HIS A 159 13.848 6.721 -25.158 1.00 12.22 N ATOM 671 CD2 HIS A 159 15.214 7.012 -26.836 1.00 1.33 C ATOM 672 CE1 HIS A 159 13.256 7.545 -26.005 1.00 24.42 C ATOM 673 NE2 HIS A 159 14.065 7.738 -27.031 1.00 72.13 N ATOM 0 HA HIS A 159 17.470 7.023 -24.970 1.00 73.12 H new ATOM 0 HB2 HIS A 159 15.989 4.463 -25.418 1.00 34.11 H new ATOM 0 HB3 HIS A 159 15.665 5.302 -23.914 1.00 34.11 H new ATOM 0 HD1 HIS A 159 13.452 6.398 -24.275 1.00 12.22 H new ATOM 0 HD2 HIS A 159 16.063 6.965 -27.502 1.00 1.33 H new ATOM 0 HE1 HIS A 159 12.278 7.985 -25.880 1.00 24.42 H new ATOM 680 N ARG A 160 18.383 6.516 -22.733 1.00 13.43 N ATOM 681 CA ARG A 160 19.011 6.263 -21.442 1.00 14.45 C ATOM 682 C ARG A 160 17.971 6.248 -20.325 1.00 12.11 C ATOM 683 O ARG A 160 16.975 6.971 -20.380 1.00 34.54 O ATOM 684 CB ARG A 160 20.072 7.326 -21.150 1.00 22.42 C ATOM 685 CG ARG A 160 21.330 7.177 -21.990 1.00 71.42 C ATOM 686 CD ARG A 160 22.533 7.811 -21.310 1.00 31.23 C ATOM 687 NE ARG A 160 22.795 9.159 -21.807 1.00 23.23 N ATOM 688 CZ ARG A 160 23.416 9.411 -22.953 1.00 42.35 C ATOM 689 NH1 ARG A 160 23.836 8.413 -23.718 1.00 31.41 N ATOM 690 NH2 ARG A 160 23.618 10.665 -23.338 1.00 50.20 N ATOM 0 H ARG A 160 18.170 7.497 -22.913 1.00 13.43 H new ATOM 0 HA ARG A 160 19.488 5.284 -21.484 1.00 14.45 H new ATOM 0 HB2 ARG A 160 19.643 8.313 -21.325 1.00 22.42 H new ATOM 0 HB3 ARG A 160 20.342 7.278 -20.095 1.00 22.42 H new ATOM 0 HG2 ARG A 160 21.527 6.120 -22.168 1.00 71.42 H new ATOM 0 HG3 ARG A 160 21.175 7.641 -22.964 1.00 71.42 H new ATOM 0 HD2 ARG A 160 22.363 7.848 -20.234 1.00 31.23 H new ATOM 0 HD3 ARG A 160 23.412 7.187 -21.473 1.00 31.23 H new ATOM 0 HE ARG A 160 22.484 9.950 -21.243 1.00 23.23 H new ATOM 0 HH11 ARG A 160 23.682 7.448 -23.427 1.00 31.41 H new ATOM 0 HH12 ARG A 160 24.313 8.611 -24.598 1.00 31.41 H new ATOM 0 HH21 ARG A 160 23.296 11.436 -22.753 1.00 50.20 H new ATOM 0 HH22 ARG A 160 24.095 10.858 -24.219 1.00 50.20 H new ATOM 704 N LEU A 161 18.209 5.420 -19.314 1.00 13.45 N ATOM 705 CA LEU A 161 17.293 5.310 -18.183 1.00 52.14 C ATOM 706 C LEU A 161 18.059 5.229 -16.867 1.00 42.22 C ATOM 707 O LEU A 161 19.281 5.377 -16.839 1.00 44.43 O ATOM 708 CB LEU A 161 16.400 4.078 -18.343 1.00 41.24 C ATOM 709 CG LEU A 161 15.581 4.006 -19.633 1.00 30.24 C ATOM 710 CD1 LEU A 161 16.345 3.251 -20.709 1.00 22.41 C ATOM 711 CD2 LEU A 161 14.233 3.349 -19.372 1.00 65.51 C ATOM 0 H LEU A 161 19.028 4.815 -19.254 1.00 13.45 H new ATOM 0 HA LEU A 161 16.669 6.204 -18.164 1.00 52.14 H new ATOM 0 HB2 LEU A 161 17.028 3.189 -18.285 1.00 41.24 H new ATOM 0 HB3 LEU A 161 15.713 4.039 -17.497 1.00 41.24 H new ATOM 0 HG LEU A 161 15.405 5.022 -19.987 1.00 30.24 H new ATOM 0 HD11 LEU A 161 15.747 3.210 -21.619 1.00 22.41 H new ATOM 0 HD12 LEU A 161 17.285 3.763 -20.915 1.00 22.41 H new ATOM 0 HD13 LEU A 161 16.552 2.238 -20.365 1.00 22.41 H new ATOM 0 HD21 LEU A 161 13.663 3.306 -20.300 1.00 65.51 H new ATOM 0 HD22 LEU A 161 14.388 2.338 -18.994 1.00 65.51 H new ATOM 0 HD23 LEU A 161 13.681 3.932 -18.634 1.00 65.51 H new ATOM 723 N ILE A 162 17.334 4.991 -15.780 1.00 13.53 N ATOM 724 CA ILE A 162 17.946 4.887 -14.461 1.00 42.41 C ATOM 725 C ILE A 162 18.620 3.533 -14.273 1.00 65.35 C ATOM 726 O ILE A 162 18.007 2.488 -14.489 1.00 53.24 O ATOM 727 CB ILE A 162 16.909 5.092 -13.341 1.00 20.40 C ATOM 728 CG1 ILE A 162 16.269 6.477 -13.455 1.00 71.40 C ATOM 729 CG2 ILE A 162 17.560 4.914 -11.978 1.00 21.45 C ATOM 730 CD1 ILE A 162 14.757 6.446 -13.447 1.00 34.11 C ATOM 0 H ILE A 162 16.322 4.866 -15.786 1.00 13.53 H new ATOM 0 HA ILE A 162 18.696 5.675 -14.399 1.00 42.41 H new ATOM 0 HB ILE A 162 16.126 4.341 -13.449 1.00 20.40 H new ATOM 0 HG12 ILE A 162 16.616 7.098 -12.629 1.00 71.40 H new ATOM 0 HG13 ILE A 162 16.610 6.951 -14.375 1.00 71.40 H new ATOM 0 HG21 ILE A 162 16.815 5.062 -11.197 1.00 21.45 H new ATOM 0 HG22 ILE A 162 17.972 3.908 -11.900 1.00 21.45 H new ATOM 0 HG23 ILE A 162 18.360 5.644 -11.859 1.00 21.45 H new ATOM 0 HD11 ILE A 162 14.372 7.462 -13.531 1.00 34.11 H new ATOM 0 HD12 ILE A 162 14.401 5.852 -14.289 1.00 34.11 H new ATOM 0 HD13 ILE A 162 14.407 6.001 -12.515 1.00 34.11 H new ATOM 894 N LEU A 173 22.645 -4.001 -9.269 1.00 21.42 N ATOM 895 CA LEU A 173 23.778 -3.436 -9.994 1.00 32.12 C ATOM 896 C LEU A 173 24.074 -2.017 -9.520 1.00 4.02 C ATOM 897 O LEU A 173 23.294 -1.426 -8.774 1.00 4.32 O ATOM 898 CB LEU A 173 23.497 -3.436 -11.498 1.00 2.45 C ATOM 899 CG LEU A 173 24.311 -4.425 -12.333 1.00 1.35 C ATOM 900 CD1 LEU A 173 23.553 -5.732 -12.500 1.00 72.34 C ATOM 901 CD2 LEU A 173 24.650 -3.825 -13.689 1.00 43.23 C ATOM 0 HA LEU A 173 24.652 -4.056 -9.794 1.00 32.12 H new ATOM 0 HB2 LEU A 173 22.439 -3.648 -11.650 1.00 2.45 H new ATOM 0 HB3 LEU A 173 23.679 -2.432 -11.881 1.00 2.45 H new ATOM 0 HG LEU A 173 25.243 -4.634 -11.808 1.00 1.35 H new ATOM 0 HD11 LEU A 173 24.147 -6.424 -13.097 1.00 72.34 H new ATOM 0 HD12 LEU A 173 23.362 -6.170 -11.520 1.00 72.34 H new ATOM 0 HD13 LEU A 173 22.605 -5.541 -13.003 1.00 72.34 H new ATOM 0 HD21 LEU A 173 25.229 -4.543 -14.270 1.00 43.23 H new ATOM 0 HD22 LEU A 173 23.729 -3.586 -14.222 1.00 43.23 H new ATOM 0 HD23 LEU A 173 25.234 -2.916 -13.549 1.00 43.23 H new ATOM 913 N MET A 174 25.206 -1.476 -9.960 1.00 13.11 N ATOM 914 CA MET A 174 25.603 -0.124 -9.583 1.00 61.31 C ATOM 915 C MET A 174 24.865 0.913 -10.422 1.00 55.43 C ATOM 916 O MET A 174 24.206 0.544 -11.393 1.00 63.35 O ATOM 917 CB MET A 174 27.114 0.051 -9.748 1.00 70.33 C ATOM 918 CG MET A 174 27.883 -0.043 -8.440 1.00 41.45 C ATOM 919 SD MET A 174 29.618 -0.471 -8.684 1.00 35.22 S ATOM 920 CE MET A 174 29.528 -2.260 -8.677 1.00 63.12 C ATOM 0 H MET A 174 25.864 -1.953 -10.577 1.00 13.11 H new ATOM 0 HA MET A 174 25.339 0.027 -8.536 1.00 61.31 H new ATOM 0 HB2 MET A 174 27.487 -0.709 -10.435 1.00 70.33 H new ATOM 0 HB3 MET A 174 27.311 1.020 -10.207 1.00 70.33 H new ATOM 0 HG2 MET A 174 27.818 0.910 -7.916 1.00 41.45 H new ATOM 0 HG3 MET A 174 27.415 -0.791 -7.800 1.00 41.45 H new ATOM 0 HE1 MET A 174 29.943 -2.642 -7.744 1.00 63.12 H new ATOM 0 HE2 MET A 174 28.487 -2.572 -8.766 1.00 63.12 H new ATOM 0 HE3 MET A 174 30.099 -2.656 -9.517 1.00 63.12 H new ATOM 930 N CYS A 175 24.987 2.175 -10.035 1.00 62.40 N ATOM 931 CA CYS A 175 24.327 3.247 -10.759 1.00 41.43 C ATOM 932 C CYS A 175 24.921 3.313 -12.168 1.00 31.42 C ATOM 933 O CYS A 175 25.811 2.545 -12.538 1.00 13.31 O ATOM 934 CB CYS A 175 24.450 4.584 -10.026 1.00 0.43 C ATOM 935 SG CYS A 175 22.827 5.429 -9.988 1.00 42.32 S ATOM 0 H CYS A 175 25.534 2.478 -9.229 1.00 62.40 H new ATOM 0 HA CYS A 175 23.259 3.040 -10.825 1.00 41.43 H new ATOM 0 HB2 CYS A 175 24.807 4.419 -9.009 1.00 0.43 H new ATOM 0 HB3 CYS A 175 25.186 5.215 -10.524 1.00 0.43 H new ATOM 0 HG CYS A 175 22.752 6.177 -8.927 1.00 42.32 H new ATOM 940 N LEU A 176 24.405 4.253 -12.951 1.00 44.24 N ATOM 941 CA LEU A 176 24.865 4.443 -14.323 1.00 3.32 C ATOM 942 C LEU A 176 26.354 4.774 -14.357 1.00 31.20 C ATOM 943 O LEU A 176 27.150 4.034 -14.933 1.00 62.41 O ATOM 944 CB LEU A 176 24.068 5.560 -14.999 1.00 34.31 C ATOM 945 CG LEU A 176 23.911 5.449 -16.516 1.00 5.10 C ATOM 946 CD1 LEU A 176 22.817 4.453 -16.869 1.00 4.42 C ATOM 947 CD2 LEU A 176 23.610 6.812 -17.122 1.00 4.10 C ATOM 0 H LEU A 176 23.668 4.896 -12.660 1.00 44.24 H new ATOM 0 HA LEU A 176 24.706 3.511 -14.866 1.00 3.32 H new ATOM 0 HB2 LEU A 176 23.074 5.591 -14.552 1.00 34.31 H new ATOM 0 HB3 LEU A 176 24.550 6.511 -14.772 1.00 34.31 H new ATOM 0 HG LEU A 176 24.851 5.087 -16.933 1.00 5.10 H new ATOM 0 HD11 LEU A 176 22.720 4.388 -17.953 1.00 4.42 H new ATOM 0 HD12 LEU A 176 23.074 3.473 -16.468 1.00 4.42 H new ATOM 0 HD13 LEU A 176 21.871 4.784 -16.440 1.00 4.42 H new ATOM 0 HD21 LEU A 176 23.501 6.714 -18.202 1.00 4.10 H new ATOM 0 HD22 LEU A 176 22.685 7.202 -16.698 1.00 4.10 H new ATOM 0 HD23 LEU A 176 24.428 7.497 -16.900 1.00 4.10 H new ATOM 959 N GLU A 177 26.722 5.889 -13.734 1.00 52.22 N ATOM 960 CA GLU A 177 28.115 6.316 -13.693 1.00 4.22 C ATOM 961 C GLU A 177 28.522 6.708 -12.275 1.00 44.54 C ATOM 962 O GLU A 177 29.088 7.780 -12.054 1.00 24.51 O ATOM 963 CB GLU A 177 28.340 7.494 -14.644 1.00 33.41 C ATOM 964 CG GLU A 177 29.785 7.653 -15.086 1.00 32.54 C ATOM 965 CD GLU A 177 30.010 8.910 -15.902 1.00 63.05 C ATOM 966 OE1 GLU A 177 29.473 8.992 -17.027 1.00 24.12 O ATOM 967 OE2 GLU A 177 30.724 9.812 -15.416 1.00 51.45 O ATOM 0 H GLU A 177 26.075 6.512 -13.251 1.00 52.22 H new ATOM 0 HA GLU A 177 28.734 5.478 -14.012 1.00 4.22 H new ATOM 0 HB2 GLU A 177 27.712 7.364 -15.525 1.00 33.41 H new ATOM 0 HB3 GLU A 177 28.016 8.412 -14.154 1.00 33.41 H new ATOM 0 HG2 GLU A 177 30.430 7.675 -14.207 1.00 32.54 H new ATOM 0 HG3 GLU A 177 30.078 6.784 -15.675 1.00 32.54 H new ATOM 974 N HIS A 178 28.229 5.834 -11.318 1.00 65.33 N ATOM 975 CA HIS A 178 28.565 6.088 -9.922 1.00 35.24 C ATOM 976 C HIS A 178 29.089 4.822 -9.250 1.00 11.22 C ATOM 977 O HIS A 178 28.356 4.139 -8.536 1.00 1.05 O ATOM 978 CB HIS A 178 27.341 6.609 -9.168 1.00 55.33 C ATOM 979 CG HIS A 178 26.826 7.915 -9.692 1.00 63.11 C ATOM 980 ND1 HIS A 178 25.490 8.156 -9.930 1.00 13.41 N ATOM 981 CD2 HIS A 178 27.478 9.055 -10.022 1.00 73.54 C ATOM 982 CE1 HIS A 178 25.341 9.388 -10.386 1.00 24.54 C ATOM 983 NE2 HIS A 178 26.533 9.954 -10.451 1.00 13.14 N ATOM 0 H HIS A 178 27.760 4.944 -11.484 1.00 65.33 H new ATOM 0 HA HIS A 178 29.349 6.844 -9.895 1.00 35.24 H new ATOM 0 HB2 HIS A 178 26.546 5.865 -9.224 1.00 55.33 H new ATOM 0 HB3 HIS A 178 27.595 6.724 -8.114 1.00 55.33 H new ATOM 0 HD2 HIS A 178 28.543 9.225 -9.959 1.00 73.54 H new ATOM 0 HE1 HIS A 178 24.405 9.852 -10.659 1.00 24.54 H new ATOM 0 HE2 HIS A 178 26.721 10.905 -10.768 1.00 13.14 H new ATOM 990 N GLU A 179 30.361 4.517 -9.485 1.00 61.31 N ATOM 991 CA GLU A 179 30.982 3.332 -8.904 1.00 13.25 C ATOM 992 C GLU A 179 31.360 3.577 -7.446 1.00 21.45 C ATOM 993 O GLU A 179 31.378 2.651 -6.634 1.00 71.12 O ATOM 994 CB GLU A 179 32.223 2.934 -9.704 1.00 44.53 C ATOM 995 CG GLU A 179 33.219 4.068 -9.887 1.00 32.10 C ATOM 996 CD GLU A 179 34.619 3.571 -10.192 1.00 53.42 C ATOM 997 OE1 GLU A 179 34.880 3.217 -11.361 1.00 30.42 O ATOM 998 OE2 GLU A 179 35.452 3.537 -9.263 1.00 44.33 O ATOM 0 H GLU A 179 30.981 5.073 -10.073 1.00 61.31 H new ATOM 0 HA GLU A 179 30.258 2.518 -8.943 1.00 13.25 H new ATOM 0 HB2 GLU A 179 32.719 2.104 -9.201 1.00 44.53 H new ATOM 0 HB3 GLU A 179 31.913 2.573 -10.684 1.00 44.53 H new ATOM 0 HG2 GLU A 179 32.883 4.715 -10.697 1.00 32.10 H new ATOM 0 HG3 GLU A 179 33.242 4.676 -8.982 1.00 32.10 H new ATOM 1005 N ASP A 180 31.663 4.829 -7.121 1.00 74.21 N ATOM 1006 CA ASP A 180 32.040 5.196 -5.761 1.00 44.34 C ATOM 1007 C ASP A 180 30.839 5.121 -4.824 1.00 51.03 C ATOM 1008 O ASP A 180 30.994 4.980 -3.612 1.00 0.52 O ATOM 1009 CB ASP A 180 32.634 6.606 -5.737 1.00 71.25 C ATOM 1010 CG ASP A 180 33.333 6.917 -4.429 1.00 1.41 C ATOM 1011 OD1 ASP A 180 33.685 5.964 -3.702 1.00 14.51 O ATOM 1012 OD2 ASP A 180 33.530 8.114 -4.132 1.00 53.21 O ATOM 0 H ASP A 180 31.655 5.607 -7.781 1.00 74.21 H new ATOM 0 HA ASP A 180 32.792 4.487 -5.415 1.00 44.34 H new ATOM 0 HB2 ASP A 180 33.342 6.713 -6.559 1.00 71.25 H new ATOM 0 HB3 ASP A 180 31.840 7.334 -5.904 1.00 71.25 H new ATOM 1017 N GLU A 181 29.642 5.217 -5.396 1.00 23.34 N ATOM 1018 CA GLU A 181 28.415 5.161 -4.610 1.00 40.31 C ATOM 1019 C GLU A 181 27.400 4.219 -5.252 1.00 4.50 C ATOM 1020 O GLU A 181 26.925 4.462 -6.362 1.00 4.54 O ATOM 1021 CB GLU A 181 27.811 6.560 -4.468 1.00 74.30 C ATOM 1022 CG GLU A 181 27.542 6.963 -3.028 1.00 54.20 C ATOM 1023 CD GLU A 181 26.415 6.166 -2.400 1.00 2.05 C ATOM 1024 OE1 GLU A 181 25.264 6.295 -2.866 1.00 62.33 O ATOM 1025 OE2 GLU A 181 26.685 5.413 -1.440 1.00 44.05 O ATOM 0 H GLU A 181 29.496 5.334 -6.399 1.00 23.34 H new ATOM 0 HA GLU A 181 28.664 4.778 -3.620 1.00 40.31 H new ATOM 0 HB2 GLU A 181 28.487 7.286 -4.919 1.00 74.30 H new ATOM 0 HB3 GLU A 181 26.877 6.602 -5.029 1.00 74.30 H new ATOM 0 HG2 GLU A 181 28.450 6.826 -2.441 1.00 54.20 H new ATOM 0 HG3 GLU A 181 27.296 8.024 -2.992 1.00 54.20 H new ATOM 1032 N LYS A 182 27.073 3.142 -4.546 1.00 53.52 N ATOM 1033 CA LYS A 182 26.114 2.163 -5.044 1.00 64.14 C ATOM 1034 C LYS A 182 24.683 2.621 -4.785 1.00 10.33 C ATOM 1035 O LYS A 182 24.456 3.646 -4.141 1.00 33.44 O ATOM 1036 CB LYS A 182 26.354 0.803 -4.384 1.00 14.31 C ATOM 1037 CG LYS A 182 26.884 -0.252 -5.339 1.00 12.00 C ATOM 1038 CD LYS A 182 27.237 -1.537 -4.610 1.00 31.35 C ATOM 1039 CE LYS A 182 27.106 -2.749 -5.520 1.00 1.21 C ATOM 1040 NZ LYS A 182 26.925 -4.008 -4.745 1.00 51.33 N ATOM 0 H LYS A 182 27.458 2.925 -3.627 1.00 53.52 H new ATOM 0 HA LYS A 182 26.256 2.068 -6.121 1.00 64.14 H new ATOM 0 HB2 LYS A 182 27.061 0.926 -3.564 1.00 14.31 H new ATOM 0 HB3 LYS A 182 25.419 0.450 -3.949 1.00 14.31 H new ATOM 0 HG2 LYS A 182 26.136 -0.460 -6.104 1.00 12.00 H new ATOM 0 HG3 LYS A 182 27.766 0.131 -5.852 1.00 12.00 H new ATOM 0 HD2 LYS A 182 28.257 -1.473 -4.232 1.00 31.35 H new ATOM 0 HD3 LYS A 182 26.584 -1.657 -3.746 1.00 31.35 H new ATOM 0 HE2 LYS A 182 26.258 -2.610 -6.190 1.00 1.21 H new ATOM 0 HE3 LYS A 182 27.995 -2.832 -6.145 1.00 1.21 H new ATOM 0 HZ1 LYS A 182 26.840 -4.810 -5.401 1.00 51.33 H new ATOM 0 HZ2 LYS A 182 27.746 -4.154 -4.124 1.00 51.33 H new ATOM 0 HZ3 LYS A 182 26.062 -3.939 -4.168 1.00 51.33 H new ATOM 1054 N VAL A 183 23.720 1.856 -5.289 1.00 24.42 N ATOM 1055 CA VAL A 183 22.311 2.182 -5.109 1.00 32.11 C ATOM 1056 C VAL A 183 21.820 1.755 -3.730 1.00 54.31 C ATOM 1057 O VAL A 183 21.865 0.577 -3.381 1.00 61.43 O ATOM 1058 CB VAL A 183 21.437 1.509 -6.184 1.00 22.40 C ATOM 1059 CG1 VAL A 183 21.701 2.125 -7.549 1.00 62.35 C ATOM 1060 CG2 VAL A 183 21.687 0.008 -6.210 1.00 14.23 C ATOM 0 H VAL A 183 23.891 1.005 -5.826 1.00 24.42 H new ATOM 0 HA VAL A 183 22.222 3.264 -5.204 1.00 32.11 H new ATOM 0 HB VAL A 183 20.389 1.676 -5.933 1.00 22.40 H new ATOM 0 HG11 VAL A 183 21.075 1.637 -8.296 1.00 62.35 H new ATOM 0 HG12 VAL A 183 21.468 3.189 -7.519 1.00 62.35 H new ATOM 0 HG13 VAL A 183 22.750 1.991 -7.812 1.00 62.35 H new ATOM 0 HG21 VAL A 183 21.061 -0.452 -6.975 1.00 14.23 H new ATOM 0 HG22 VAL A 183 22.736 -0.182 -6.436 1.00 14.23 H new ATOM 0 HG23 VAL A 183 21.443 -0.418 -5.237 1.00 14.23 H new ATOM 1070 N ASN A 184 21.349 2.723 -2.950 1.00 4.21 N ATOM 1071 CA ASN A 184 20.849 2.448 -1.608 1.00 21.00 C ATOM 1072 C ASN A 184 19.553 3.208 -1.344 1.00 51.12 C ATOM 1073 O ASN A 184 19.179 3.437 -0.194 1.00 74.53 O ATOM 1074 CB ASN A 184 21.899 2.829 -0.562 1.00 33.42 C ATOM 1075 CG ASN A 184 22.527 4.181 -0.839 1.00 23.42 C ATOM 1076 OD1 ASN A 184 21.829 5.161 -1.097 1.00 10.13 O ATOM 1077 ND2 ASN A 184 23.853 4.238 -0.787 1.00 10.32 N ATOM 0 H ASN A 184 21.303 3.704 -3.224 1.00 4.21 H new ATOM 0 HA ASN A 184 20.644 1.380 -1.535 1.00 21.00 H new ATOM 0 HB2 ASN A 184 21.437 2.842 0.425 1.00 33.42 H new ATOM 0 HB3 ASN A 184 22.678 2.067 -0.539 1.00 33.42 H new ATOM 0 HD21 ASN A 184 24.333 5.120 -0.965 1.00 10.32 H new ATOM 0 HD22 ASN A 184 24.391 3.399 -0.569 1.00 10.32 H new ATOM 1084 N MET A 185 18.872 3.597 -2.417 1.00 62.45 N ATOM 1085 CA MET A 185 17.617 4.329 -2.302 1.00 12.52 C ATOM 1086 C MET A 185 16.598 3.827 -3.320 1.00 42.11 C ATOM 1087 O MET A 185 16.915 2.995 -4.171 1.00 10.14 O ATOM 1088 CB MET A 185 17.856 5.828 -2.499 1.00 30.31 C ATOM 1089 CG MET A 185 18.337 6.537 -1.243 1.00 71.42 C ATOM 1090 SD MET A 185 18.039 8.314 -1.292 1.00 13.22 S ATOM 1091 CE MET A 185 18.603 8.797 0.338 1.00 31.22 C ATOM 0 H MET A 185 19.169 3.417 -3.376 1.00 62.45 H new ATOM 0 HA MET A 185 17.218 4.160 -1.302 1.00 12.52 H new ATOM 0 HB2 MET A 185 18.592 5.969 -3.291 1.00 30.31 H new ATOM 0 HB3 MET A 185 16.930 6.294 -2.837 1.00 30.31 H new ATOM 0 HG2 MET A 185 17.833 6.112 -0.375 1.00 71.42 H new ATOM 0 HG3 MET A 185 19.404 6.355 -1.113 1.00 71.42 H new ATOM 0 HE1 MET A 185 18.482 9.873 0.461 1.00 31.22 H new ATOM 0 HE2 MET A 185 18.016 8.277 1.095 1.00 31.22 H new ATOM 0 HE3 MET A 185 19.655 8.535 0.452 1.00 31.22 H new ATOM 1101 N TYR A 186 15.375 4.337 -3.228 1.00 21.04 N ATOM 1102 CA TYR A 186 14.310 3.938 -4.139 1.00 74.43 C ATOM 1103 C TYR A 186 13.386 5.112 -4.446 1.00 12.44 C ATOM 1104 O TYR A 186 13.022 5.849 -3.530 1.00 31.31 O ATOM 1105 CB TYR A 186 13.504 2.783 -3.541 1.00 12.31 C ATOM 1106 CG TYR A 186 12.404 2.279 -4.448 1.00 22.54 C ATOM 1107 CD1 TYR A 186 11.156 2.889 -4.465 1.00 2.31 C ATOM 1108 CD2 TYR A 186 12.613 1.191 -5.286 1.00 75.51 C ATOM 1109 CE1 TYR A 186 10.148 2.431 -5.291 1.00 41.21 C ATOM 1110 CE2 TYR A 186 11.611 0.727 -6.117 1.00 31.44 C ATOM 1111 CZ TYR A 186 10.381 1.350 -6.115 1.00 55.04 C ATOM 1112 OH TYR A 186 9.380 0.890 -6.940 1.00 53.02 O ATOM 0 H TYR A 186 15.097 5.028 -2.531 1.00 21.04 H new ATOM 0 HA TYR A 186 14.769 3.608 -5.071 1.00 74.43 H new ATOM 0 HB2 TYR A 186 14.180 1.959 -3.312 1.00 12.31 H new ATOM 0 HB3 TYR A 186 13.065 3.107 -2.597 1.00 12.31 H new ATOM 0 HD1 TYR A 186 10.971 3.736 -3.821 1.00 2.31 H new ATOM 0 HD2 TYR A 186 13.575 0.699 -5.288 1.00 75.51 H new ATOM 0 HE1 TYR A 186 9.183 2.917 -5.291 1.00 41.21 H new ATOM 0 HE2 TYR A 186 11.790 -0.119 -6.764 1.00 31.44 H new ATOM 0 HH TYR A 186 9.773 0.372 -7.673 1.00 53.02 H new ATOM 1122 N CYS A 187 13.030 5.260 -5.713 1.00 65.05 N ATOM 1123 CA CYS A 187 12.153 6.343 -6.124 1.00 1.14 C ATOM 1124 C CYS A 187 10.765 5.760 -6.396 1.00 11.14 C ATOM 1125 O CYS A 187 10.607 4.722 -7.039 1.00 11.42 O ATOM 1126 CB CYS A 187 12.707 7.090 -7.339 1.00 15.12 C ATOM 1127 SG CYS A 187 11.564 8.436 -7.820 1.00 11.23 S ATOM 0 H CYS A 187 13.333 4.647 -6.470 1.00 65.05 H new ATOM 0 HA CYS A 187 12.085 7.082 -5.326 1.00 1.14 H new ATOM 0 HB2 CYS A 187 13.689 7.501 -7.107 1.00 15.12 H new ATOM 0 HB3 CYS A 187 12.840 6.399 -8.172 1.00 15.12 H new ATOM 0 HG CYS A 187 12.250 9.462 -8.229 1.00 11.23 H new ATOM 1132 N VAL A 188 9.754 6.457 -5.887 1.00 35.22 N ATOM 1133 CA VAL A 188 8.369 6.033 -6.060 1.00 64.33 C ATOM 1134 C VAL A 188 7.805 6.528 -7.387 1.00 10.20 C ATOM 1135 O VAL A 188 7.189 5.769 -8.136 1.00 20.44 O ATOM 1136 CB VAL A 188 7.478 6.543 -4.913 1.00 11.51 C ATOM 1137 CG1 VAL A 188 6.034 6.118 -5.129 1.00 15.13 C ATOM 1138 CG2 VAL A 188 7.995 6.042 -3.573 1.00 44.21 C ATOM 0 H VAL A 188 9.868 7.318 -5.352 1.00 35.22 H new ATOM 0 HA VAL A 188 8.368 4.943 -6.052 1.00 64.33 H new ATOM 0 HB VAL A 188 7.514 7.632 -4.906 1.00 11.51 H new ATOM 0 HG11 VAL A 188 5.419 6.488 -4.308 1.00 15.13 H new ATOM 0 HG12 VAL A 188 5.670 6.531 -6.070 1.00 15.13 H new ATOM 0 HG13 VAL A 188 5.976 5.030 -5.164 1.00 15.13 H new ATOM 0 HG21 VAL A 188 7.353 6.412 -2.774 1.00 44.21 H new ATOM 0 HG22 VAL A 188 7.991 4.952 -3.566 1.00 44.21 H new ATOM 0 HG23 VAL A 188 9.012 6.402 -3.418 1.00 44.21 H new ATOM 1148 N THR A 189 8.019 7.809 -7.674 1.00 23.42 N ATOM 1149 CA THR A 189 7.532 8.407 -8.910 1.00 73.11 C ATOM 1150 C THR A 189 8.040 7.644 -10.128 1.00 4.20 C ATOM 1151 O THR A 189 7.424 7.675 -11.193 1.00 62.24 O ATOM 1152 CB THR A 189 7.959 9.882 -9.027 1.00 42.10 C ATOM 1153 OG1 THR A 189 7.638 10.583 -7.820 1.00 75.52 O ATOM 1154 CG2 THR A 189 7.272 10.553 -10.207 1.00 62.31 C ATOM 0 H THR A 189 8.527 8.452 -7.066 1.00 23.42 H new ATOM 0 HA THR A 189 6.444 8.353 -8.879 1.00 73.11 H new ATOM 0 HB THR A 189 9.036 9.913 -9.189 1.00 42.10 H new ATOM 0 HG1 THR A 189 7.914 11.520 -7.902 1.00 75.52 H new ATOM 0 HG21 THR A 189 7.589 11.594 -10.269 1.00 62.31 H new ATOM 0 HG22 THR A 189 7.542 10.036 -11.128 1.00 62.31 H new ATOM 0 HG23 THR A 189 6.191 10.511 -10.071 1.00 62.31 H new ATOM 1162 N ASP A 190 9.167 6.960 -9.964 1.00 2.15 N ATOM 1163 CA ASP A 190 9.758 6.187 -11.050 1.00 10.21 C ATOM 1164 C ASP A 190 9.646 4.691 -10.776 1.00 34.22 C ATOM 1165 O ASP A 190 9.722 3.874 -11.694 1.00 11.01 O ATOM 1166 CB ASP A 190 11.225 6.575 -11.241 1.00 22.42 C ATOM 1167 CG ASP A 190 11.404 8.058 -11.497 1.00 54.13 C ATOM 1168 OD1 ASP A 190 10.383 8.757 -11.671 1.00 64.30 O ATOM 1169 OD2 ASP A 190 12.564 8.521 -11.525 1.00 74.53 O ATOM 0 H ASP A 190 9.690 6.925 -9.089 1.00 2.15 H new ATOM 0 HA ASP A 190 9.209 6.412 -11.964 1.00 10.21 H new ATOM 0 HB2 ASP A 190 11.791 6.292 -10.354 1.00 22.42 H new ATOM 0 HB3 ASP A 190 11.640 6.012 -12.077 1.00 22.42 H new ATOM 1174 N ASP A 191 9.465 4.339 -9.508 1.00 22.13 N ATOM 1175 CA ASP A 191 9.342 2.941 -9.112 1.00 64.52 C ATOM 1176 C ASP A 191 10.629 2.177 -9.410 1.00 21.25 C ATOM 1177 O ASP A 191 10.598 0.982 -9.704 1.00 43.30 O ATOM 1178 CB ASP A 191 8.166 2.285 -9.837 1.00 62.33 C ATOM 1179 CG ASP A 191 7.332 1.415 -8.918 1.00 34.11 C ATOM 1180 OD1 ASP A 191 6.775 1.951 -7.937 1.00 2.24 O ATOM 1181 OD2 ASP A 191 7.234 0.198 -9.180 1.00 41.01 O ATOM 0 H ASP A 191 9.400 5.003 -8.736 1.00 22.13 H new ATOM 0 HA ASP A 191 9.161 2.908 -8.038 1.00 64.52 H new ATOM 0 HB2 ASP A 191 7.534 3.059 -10.272 1.00 62.33 H new ATOM 0 HB3 ASP A 191 8.543 1.680 -10.662 1.00 62.33 H new ATOM 1186 N GLN A 192 11.757 2.875 -9.331 1.00 43.01 N ATOM 1187 CA GLN A 192 13.054 2.262 -9.594 1.00 1.32 C ATOM 1188 C GLN A 192 14.019 2.514 -8.440 1.00 32.14 C ATOM 1189 O GLN A 192 13.685 3.206 -7.477 1.00 34.32 O ATOM 1190 CB GLN A 192 13.645 2.807 -10.896 1.00 33.44 C ATOM 1191 CG GLN A 192 13.456 1.878 -12.084 1.00 63.22 C ATOM 1192 CD GLN A 192 14.702 1.765 -12.940 1.00 45.31 C ATOM 1193 OE1 GLN A 192 14.841 2.457 -13.950 1.00 32.24 O ATOM 1194 NE2 GLN A 192 15.618 0.891 -12.541 1.00 25.14 N ATOM 0 H GLN A 192 11.799 3.865 -9.087 1.00 43.01 H new ATOM 0 HA GLN A 192 12.906 1.187 -9.692 1.00 1.32 H new ATOM 0 HB2 GLN A 192 13.184 3.769 -11.120 1.00 33.44 H new ATOM 0 HB3 GLN A 192 14.710 2.990 -10.754 1.00 33.44 H new ATOM 0 HG2 GLN A 192 13.175 0.888 -11.725 1.00 63.22 H new ATOM 0 HG3 GLN A 192 12.631 2.241 -12.697 1.00 63.22 H new ATOM 0 HE21 GLN A 192 15.462 0.338 -11.698 1.00 25.14 H new ATOM 0 HE22 GLN A 192 16.478 0.772 -13.077 1.00 25.14 H new ATOM 1203 N LEU A 193 15.216 1.948 -8.542 1.00 42.01 N ATOM 1204 CA LEU A 193 16.231 2.111 -7.506 1.00 75.43 C ATOM 1205 C LEU A 193 17.215 3.215 -7.877 1.00 65.31 C ATOM 1206 O LEU A 193 17.474 3.459 -9.056 1.00 62.30 O ATOM 1207 CB LEU A 193 16.980 0.795 -7.288 1.00 11.13 C ATOM 1208 CG LEU A 193 16.234 -0.278 -6.494 1.00 23.20 C ATOM 1209 CD1 LEU A 193 16.683 -1.667 -6.922 1.00 54.14 C ATOM 1210 CD2 LEU A 193 16.450 -0.083 -5.000 1.00 60.33 C ATOM 0 H LEU A 193 15.508 1.372 -9.331 1.00 42.01 H new ATOM 0 HA LEU A 193 15.729 2.394 -6.581 1.00 75.43 H new ATOM 0 HB2 LEU A 193 17.240 0.382 -8.263 1.00 11.13 H new ATOM 0 HB3 LEU A 193 17.916 1.014 -6.774 1.00 11.13 H new ATOM 0 HG LEU A 193 15.168 -0.182 -6.702 1.00 23.20 H new ATOM 0 HD11 LEU A 193 16.142 -2.418 -6.346 1.00 54.14 H new ATOM 0 HD12 LEU A 193 16.477 -1.805 -7.983 1.00 54.14 H new ATOM 0 HD13 LEU A 193 17.753 -1.775 -6.743 1.00 54.14 H new ATOM 0 HD21 LEU A 193 15.912 -0.855 -4.451 1.00 60.33 H new ATOM 0 HD22 LEU A 193 17.514 -0.152 -4.774 1.00 60.33 H new ATOM 0 HD23 LEU A 193 16.079 0.898 -4.704 1.00 60.33 H new ATOM 1222 N ILE A 194 17.763 3.877 -6.864 1.00 31.14 N ATOM 1223 CA ILE A 194 18.722 4.952 -7.084 1.00 10.35 C ATOM 1224 C ILE A 194 19.741 5.020 -5.951 1.00 42.03 C ATOM 1225 O ILE A 194 19.611 4.279 -4.978 1.00 54.21 O ATOM 1226 CB ILE A 194 18.019 6.317 -7.208 1.00 72.15 C ATOM 1227 CG1 ILE A 194 17.386 6.713 -5.873 1.00 52.10 C ATOM 1228 CG2 ILE A 194 16.967 6.272 -8.307 1.00 1.12 C ATOM 1229 CD1 ILE A 194 16.683 8.052 -5.911 1.00 73.12 C ATOM 0 H ILE A 194 17.559 3.688 -5.883 1.00 31.14 H new ATOM 0 HA ILE A 194 19.235 4.730 -8.019 1.00 10.35 H new ATOM 0 HB ILE A 194 18.762 7.069 -7.473 1.00 72.15 H new ATOM 0 HG12 ILE A 194 16.671 5.945 -5.577 1.00 52.10 H new ATOM 0 HG13 ILE A 194 18.161 6.740 -5.107 1.00 52.10 H new ATOM 0 HG21 ILE A 194 16.479 7.243 -8.383 1.00 1.12 H new ATOM 0 HG22 ILE A 194 17.443 6.030 -9.257 1.00 1.12 H new ATOM 0 HG23 ILE A 194 16.225 5.510 -8.069 1.00 1.12 H new ATOM 0 HD11 ILE A 194 16.258 8.268 -4.931 1.00 73.12 H new ATOM 0 HD12 ILE A 194 17.398 8.831 -6.176 1.00 73.12 H new ATOM 0 HD13 ILE A 194 15.886 8.023 -6.654 1.00 73.12 H new ATOM 1241 N CYS A 195 20.722 5.898 -6.100 1.00 1.23 N ATOM 1242 CA CYS A 195 21.749 6.051 -5.084 1.00 5.43 C ATOM 1243 C CYS A 195 21.553 7.407 -4.403 1.00 5.51 C ATOM 1244 O CYS A 195 21.014 8.353 -4.976 1.00 42.43 O ATOM 1245 CB CYS A 195 23.154 5.906 -5.673 1.00 50.40 C ATOM 1246 SG CYS A 195 23.532 7.337 -6.749 1.00 51.34 S ATOM 0 H CYS A 195 20.827 6.510 -6.909 1.00 1.23 H new ATOM 0 HA CYS A 195 21.653 5.257 -4.344 1.00 5.43 H new ATOM 0 HB2 CYS A 195 23.889 5.840 -4.871 1.00 50.40 H new ATOM 0 HB3 CYS A 195 23.224 4.981 -6.246 1.00 50.40 H new ATOM 0 HG CYS A 195 22.518 7.575 -7.526 1.00 51.34 H new ATOM 1251 N ALA A 196 22.007 7.481 -3.156 1.00 25.20 N ATOM 1252 CA ALA A 196 21.897 8.706 -2.374 1.00 20.34 C ATOM 1253 C ALA A 196 22.555 9.878 -3.094 1.00 14.14 C ATOM 1254 O ALA A 196 22.158 11.031 -2.916 1.00 21.35 O ATOM 1255 CB ALA A 196 22.520 8.512 -0.999 1.00 34.21 C ATOM 0 H ALA A 196 22.455 6.707 -2.666 1.00 25.20 H new ATOM 0 HA ALA A 196 20.839 8.936 -2.252 1.00 20.34 H new ATOM 0 HB1 ALA A 196 22.431 9.435 -0.426 1.00 34.21 H new ATOM 0 HB2 ALA A 196 22.003 7.708 -0.475 1.00 34.21 H new ATOM 0 HB3 ALA A 196 23.573 8.254 -1.110 1.00 34.21 H new ATOM 1261 N LEU A 197 23.561 9.578 -3.906 1.00 64.54 N ATOM 1262 CA LEU A 197 24.275 10.607 -4.654 1.00 1.44 C ATOM 1263 C LEU A 197 23.405 11.169 -5.774 1.00 3.04 C ATOM 1264 O LEU A 197 23.673 12.272 -6.248 1.00 74.01 O ATOM 1265 CB LEU A 197 25.570 10.038 -5.235 1.00 4.10 C ATOM 1266 CG LEU A 197 26.574 11.062 -5.768 1.00 32.42 C ATOM 1267 CD1 LEU A 197 27.480 11.553 -4.650 1.00 32.04 C ATOM 1268 CD2 LEU A 197 27.397 10.463 -6.899 1.00 74.22 C ATOM 0 H LEU A 197 23.902 8.630 -4.064 1.00 64.54 H new ATOM 0 HA LEU A 197 24.518 11.417 -3.967 1.00 1.44 H new ATOM 0 HB2 LEU A 197 26.061 9.445 -4.463 1.00 4.10 H new ATOM 0 HB3 LEU A 197 25.312 9.356 -6.045 1.00 4.10 H new ATOM 0 HG LEU A 197 26.020 11.915 -6.160 1.00 32.42 H new ATOM 0 HD11 LEU A 197 28.187 12.281 -5.048 1.00 32.04 H new ATOM 0 HD12 LEU A 197 26.877 12.021 -3.872 1.00 32.04 H new ATOM 0 HD13 LEU A 197 28.026 10.710 -4.227 1.00 32.04 H new ATOM 0 HD21 LEU A 197 28.106 11.205 -7.266 1.00 74.22 H new ATOM 0 HD22 LEU A 197 27.941 9.593 -6.532 1.00 74.22 H new ATOM 0 HD23 LEU A 197 26.735 10.161 -7.711 1.00 74.22 H new ATOM 1280 N CYS A 198 22.394 10.409 -6.166 1.00 33.52 N ATOM 1281 CA CYS A 198 21.497 10.843 -7.224 1.00 22.44 C ATOM 1282 C CYS A 198 20.486 11.822 -6.625 1.00 10.15 C ATOM 1283 O CYS A 198 20.098 12.817 -7.237 1.00 52.10 O ATOM 1284 CB CYS A 198 20.810 9.657 -7.904 1.00 55.42 C ATOM 1285 SG CYS A 198 21.828 9.062 -9.304 1.00 13.25 S ATOM 0 H CYS A 198 22.176 9.495 -5.770 1.00 33.52 H new ATOM 0 HA CYS A 198 22.067 11.345 -8.005 1.00 22.44 H new ATOM 0 HB2 CYS A 198 20.660 8.852 -7.185 1.00 55.42 H new ATOM 0 HB3 CYS A 198 19.824 9.953 -8.261 1.00 55.42 H new ATOM 0 HG CYS A 198 23.032 8.805 -8.887 1.00 13.25 H new ATOM 1290 N LYS A 199 20.064 11.516 -5.402 1.00 42.13 N ATOM 1291 CA LYS A 199 19.101 12.350 -4.694 1.00 11.34 C ATOM 1292 C LYS A 199 19.753 13.640 -4.205 1.00 62.32 C ATOM 1293 O LYS A 199 19.079 14.650 -4.000 1.00 34.44 O ATOM 1294 CB LYS A 199 18.508 11.586 -3.508 1.00 72.41 C ATOM 1295 CG LYS A 199 17.140 12.090 -3.082 1.00 71.10 C ATOM 1296 CD LYS A 199 16.904 11.875 -1.596 1.00 45.33 C ATOM 1297 CE LYS A 199 15.755 12.731 -1.085 1.00 23.51 C ATOM 1298 NZ LYS A 199 15.898 13.043 0.364 1.00 23.52 N ATOM 0 H LYS A 199 20.375 10.696 -4.881 1.00 42.13 H new ATOM 0 HA LYS A 199 18.302 12.608 -5.389 1.00 11.34 H new ATOM 0 HB2 LYS A 199 18.432 10.530 -3.768 1.00 72.41 H new ATOM 0 HB3 LYS A 199 19.192 11.657 -2.662 1.00 72.41 H new ATOM 0 HG2 LYS A 199 17.053 13.151 -3.315 1.00 71.10 H new ATOM 0 HG3 LYS A 199 16.367 11.574 -3.652 1.00 71.10 H new ATOM 0 HD2 LYS A 199 16.687 10.823 -1.409 1.00 45.33 H new ATOM 0 HD3 LYS A 199 17.812 12.116 -1.044 1.00 45.33 H new ATOM 0 HE2 LYS A 199 15.713 13.660 -1.654 1.00 23.51 H new ATOM 0 HE3 LYS A 199 14.812 12.211 -1.253 1.00 23.51 H new ATOM 0 HZ1 LYS A 199 15.096 13.628 0.674 1.00 23.52 H new ATOM 0 HZ2 LYS A 199 15.913 12.158 0.910 1.00 23.52 H new ATOM 0 HZ3 LYS A 199 16.786 13.562 0.521 1.00 23.52 H new ATOM 1312 N LEU A 200 21.068 13.600 -4.023 1.00 24.43 N ATOM 1313 CA LEU A 200 21.813 14.766 -3.560 1.00 34.11 C ATOM 1314 C LEU A 200 22.031 15.759 -4.697 1.00 14.11 C ATOM 1315 O LEU A 200 21.711 16.941 -4.572 1.00 52.44 O ATOM 1316 CB LEU A 200 23.160 14.337 -2.977 1.00 1.14 C ATOM 1317 CG LEU A 200 23.785 15.292 -1.959 1.00 22.32 C ATOM 1318 CD1 LEU A 200 24.006 14.585 -0.630 1.00 44.43 C ATOM 1319 CD2 LEU A 200 25.095 15.855 -2.490 1.00 63.22 C ATOM 0 H LEU A 200 21.641 12.773 -4.189 1.00 24.43 H new ATOM 0 HA LEU A 200 21.227 15.255 -2.782 1.00 34.11 H new ATOM 0 HB2 LEU A 200 23.035 13.364 -2.503 1.00 1.14 H new ATOM 0 HB3 LEU A 200 23.863 14.203 -3.799 1.00 1.14 H new ATOM 0 HG LEU A 200 23.096 16.121 -1.796 1.00 22.32 H new ATOM 0 HD11 LEU A 200 24.451 15.280 0.082 1.00 44.43 H new ATOM 0 HD12 LEU A 200 23.050 14.231 -0.243 1.00 44.43 H new ATOM 0 HD13 LEU A 200 24.675 13.737 -0.776 1.00 44.43 H new ATOM 0 HD21 LEU A 200 25.525 16.532 -1.752 1.00 63.22 H new ATOM 0 HD22 LEU A 200 25.791 15.038 -2.682 1.00 63.22 H new ATOM 0 HD23 LEU A 200 24.909 16.398 -3.416 1.00 63.22 H new ATOM 1331 N VAL A 201 22.575 15.270 -5.807 1.00 3.24 N ATOM 1332 CA VAL A 201 22.833 16.114 -6.967 1.00 70.25 C ATOM 1333 C VAL A 201 21.580 16.878 -7.380 1.00 42.14 C ATOM 1334 O VAL A 201 21.650 18.046 -7.760 1.00 52.21 O ATOM 1335 CB VAL A 201 23.332 15.284 -8.165 1.00 24.42 C ATOM 1336 CG1 VAL A 201 23.557 16.175 -9.377 1.00 11.24 C ATOM 1337 CG2 VAL A 201 24.606 14.536 -7.800 1.00 32.42 C ATOM 0 H VAL A 201 22.845 14.294 -5.927 1.00 3.24 H new ATOM 0 HA VAL A 201 23.609 16.823 -6.677 1.00 70.25 H new ATOM 0 HB VAL A 201 22.567 14.551 -8.420 1.00 24.42 H new ATOM 0 HG11 VAL A 201 23.909 15.570 -10.213 1.00 11.24 H new ATOM 0 HG12 VAL A 201 22.620 16.661 -9.650 1.00 11.24 H new ATOM 0 HG13 VAL A 201 24.303 16.933 -9.138 1.00 11.24 H new ATOM 0 HG21 VAL A 201 24.945 13.955 -8.657 1.00 32.42 H new ATOM 0 HG22 VAL A 201 25.379 15.250 -7.517 1.00 32.42 H new ATOM 0 HG23 VAL A 201 24.408 13.866 -6.963 1.00 32.42 H new ATOM 1347 N GLY A 202 20.433 16.210 -7.303 1.00 22.12 N ATOM 1348 CA GLY A 202 19.180 16.842 -7.671 1.00 50.13 C ATOM 1349 C GLY A 202 18.343 15.977 -8.592 1.00 33.41 C ATOM 1350 O GLY A 202 17.163 16.252 -8.811 1.00 40.32 O ATOM 0 H GLY A 202 20.349 15.242 -6.992 1.00 22.12 H new ATOM 0 HA2 GLY A 202 18.610 17.064 -6.769 1.00 50.13 H new ATOM 0 HA3 GLY A 202 19.387 17.794 -8.160 1.00 50.13 H new ATOM 1354 N ARG A 203 18.954 14.928 -9.133 1.00 73.04 N ATOM 1355 CA ARG A 203 18.257 14.021 -10.038 1.00 3.10 C ATOM 1356 C ARG A 203 16.953 13.529 -9.417 1.00 2.00 C ATOM 1357 O ARG A 203 15.975 13.276 -10.121 1.00 31.32 O ATOM 1358 CB ARG A 203 19.150 12.829 -10.387 1.00 24.05 C ATOM 1359 CG ARG A 203 19.994 13.044 -11.633 1.00 30.45 C ATOM 1360 CD ARG A 203 20.777 11.792 -11.997 1.00 41.35 C ATOM 1361 NE ARG A 203 22.064 12.111 -12.611 1.00 14.13 N ATOM 1362 CZ ARG A 203 22.878 11.198 -13.127 1.00 24.44 C ATOM 1363 NH1 ARG A 203 22.542 9.915 -13.104 1.00 14.45 N ATOM 1364 NH2 ARG A 203 24.033 11.566 -13.667 1.00 53.04 N ATOM 0 H ARG A 203 19.930 14.685 -8.961 1.00 73.04 H new ATOM 0 HA ARG A 203 18.021 14.569 -10.950 1.00 3.10 H new ATOM 0 HB2 ARG A 203 19.809 12.620 -9.544 1.00 24.05 H new ATOM 0 HB3 ARG A 203 18.525 11.947 -10.529 1.00 24.05 H new ATOM 0 HG2 ARG A 203 19.350 13.327 -12.466 1.00 30.45 H new ATOM 0 HG3 ARG A 203 20.684 13.871 -11.468 1.00 30.45 H new ATOM 0 HD2 ARG A 203 20.941 11.194 -11.101 1.00 41.35 H new ATOM 0 HD3 ARG A 203 20.189 11.183 -12.683 1.00 41.35 H new ATOM 0 HE ARG A 203 22.353 13.089 -12.645 1.00 14.13 H new ATOM 0 HH11 ARG A 203 21.656 9.627 -12.689 1.00 14.45 H new ATOM 0 HH12 ARG A 203 23.170 9.216 -13.501 1.00 14.45 H new ATOM 0 HH21 ARG A 203 24.296 12.551 -13.686 1.00 53.04 H new ATOM 0 HH22 ARG A 203 24.658 10.864 -14.063 1.00 53.04 H new ATOM 1378 N HIS A 204 16.947 13.395 -8.094 1.00 50.35 N ATOM 1379 CA HIS A 204 15.763 12.934 -7.378 1.00 62.53 C ATOM 1380 C HIS A 204 15.575 13.713 -6.081 1.00 14.34 C ATOM 1381 O HIS A 204 15.263 13.137 -5.038 1.00 63.34 O ATOM 1382 CB HIS A 204 15.874 11.439 -7.077 1.00 62.42 C ATOM 1383 CG HIS A 204 16.012 10.589 -8.303 1.00 55.31 C ATOM 1384 ND1 HIS A 204 14.958 9.896 -8.860 1.00 53.25 N ATOM 1385 CD2 HIS A 204 17.087 10.325 -9.081 1.00 23.42 C ATOM 1386 CE1 HIS A 204 15.380 9.241 -9.927 1.00 33.52 C ATOM 1387 NE2 HIS A 204 16.669 9.484 -10.083 1.00 15.13 N ATOM 0 H HIS A 204 17.748 13.599 -7.497 1.00 50.35 H new ATOM 0 HA HIS A 204 14.894 13.106 -8.013 1.00 62.53 H new ATOM 0 HB2 HIS A 204 16.734 11.270 -6.429 1.00 62.42 H new ATOM 0 HB3 HIS A 204 14.991 11.122 -6.523 1.00 62.42 H new ATOM 0 HD1 HIS A 204 14.002 9.890 -8.504 1.00 53.25 H new ATOM 0 HD2 HIS A 204 18.088 10.705 -8.940 1.00 23.42 H new ATOM 0 HE1 HIS A 204 14.774 8.613 -10.564 1.00 33.52 H new ATOM 1394 N ARG A 205 15.766 15.027 -6.152 1.00 21.52 N ATOM 1395 CA ARG A 205 15.619 15.885 -4.982 1.00 61.43 C ATOM 1396 C ARG A 205 14.147 16.172 -4.700 1.00 62.14 C ATOM 1397 O ARG A 205 13.670 15.979 -3.582 1.00 1.51 O ATOM 1398 CB ARG A 205 16.376 17.198 -5.189 1.00 13.13 C ATOM 1399 CG ARG A 205 17.625 17.323 -4.332 1.00 33.44 C ATOM 1400 CD ARG A 205 18.100 18.765 -4.246 1.00 31.42 C ATOM 1401 NE ARG A 205 18.008 19.291 -2.887 1.00 14.32 N ATOM 1402 CZ ARG A 205 18.676 20.359 -2.466 1.00 0.24 C ATOM 1403 NH1 ARG A 205 19.481 21.011 -3.294 1.00 31.35 N ATOM 1404 NH2 ARG A 205 18.539 20.778 -1.214 1.00 25.32 N ATOM 0 H ARG A 205 16.023 15.520 -7.007 1.00 21.52 H new ATOM 0 HA ARG A 205 16.040 15.362 -4.123 1.00 61.43 H new ATOM 0 HB2 ARG A 205 16.656 17.284 -6.239 1.00 13.13 H new ATOM 0 HB3 ARG A 205 15.709 18.031 -4.967 1.00 13.13 H new ATOM 0 HG2 ARG A 205 17.419 16.946 -3.330 1.00 33.44 H new ATOM 0 HG3 ARG A 205 18.418 16.702 -4.749 1.00 33.44 H new ATOM 0 HD2 ARG A 205 19.132 18.828 -4.590 1.00 31.42 H new ATOM 0 HD3 ARG A 205 17.503 19.384 -4.916 1.00 31.42 H new ATOM 0 HE ARG A 205 17.397 18.812 -2.225 1.00 14.32 H new ATOM 0 HH11 ARG A 205 19.588 20.693 -4.257 1.00 31.35 H new ATOM 0 HH12 ARG A 205 19.993 21.831 -2.968 1.00 31.35 H new ATOM 0 HH21 ARG A 205 17.920 20.280 -0.574 1.00 25.32 H new ATOM 0 HH22 ARG A 205 19.052 21.598 -0.892 1.00 25.32 H new ATOM 1418 N ASP A 206 13.434 16.634 -5.721 1.00 71.45 N ATOM 1419 CA ASP A 206 12.016 16.947 -5.584 1.00 43.12 C ATOM 1420 C ASP A 206 11.175 15.675 -5.592 1.00 21.52 C ATOM 1421 O ASP A 206 9.961 15.719 -5.389 1.00 23.12 O ATOM 1422 CB ASP A 206 11.566 17.878 -6.712 1.00 24.54 C ATOM 1423 CG ASP A 206 12.330 19.187 -6.721 1.00 63.03 C ATOM 1424 OD1 ASP A 206 13.105 19.428 -5.772 1.00 51.53 O ATOM 1425 OD2 ASP A 206 12.153 19.971 -7.678 1.00 31.34 O ATOM 0 H ASP A 206 13.814 16.800 -6.653 1.00 71.45 H new ATOM 0 HA ASP A 206 11.871 17.450 -4.628 1.00 43.12 H new ATOM 0 HB2 ASP A 206 11.701 17.375 -7.670 1.00 24.54 H new ATOM 0 HB3 ASP A 206 10.501 18.083 -6.607 1.00 24.54 H new ATOM 1430 N HIS A 207 11.828 14.541 -5.828 1.00 50.04 N ATOM 1431 CA HIS A 207 11.140 13.255 -5.863 1.00 52.41 C ATOM 1432 C HIS A 207 10.849 12.756 -4.451 1.00 2.51 C ATOM 1433 O HIS A 207 11.372 13.293 -3.474 1.00 75.31 O ATOM 1434 CB HIS A 207 11.979 12.224 -6.618 1.00 50.22 C ATOM 1435 CG HIS A 207 11.817 12.293 -8.106 1.00 14.15 C ATOM 1436 ND1 HIS A 207 12.390 11.383 -8.968 1.00 42.02 N ATOM 1437 CD2 HIS A 207 11.139 13.170 -8.882 1.00 53.04 C ATOM 1438 CE1 HIS A 207 12.074 11.698 -10.211 1.00 55.24 C ATOM 1439 NE2 HIS A 207 11.314 12.779 -10.187 1.00 22.41 N ATOM 0 H HIS A 207 12.832 14.487 -5.998 1.00 50.04 H new ATOM 0 HA HIS A 207 10.192 13.392 -6.384 1.00 52.41 H new ATOM 0 HB2 HIS A 207 13.030 12.370 -6.368 1.00 50.22 H new ATOM 0 HB3 HIS A 207 11.706 11.225 -6.277 1.00 50.22 H new ATOM 0 HD2 HIS A 207 10.567 14.019 -8.539 1.00 53.04 H new ATOM 0 HE1 HIS A 207 12.384 11.163 -11.097 1.00 55.24 H new ATOM 0 HE2 HIS A 207 10.922 13.247 -11.004 1.00 22.41 H new ATOM 1446 N GLN A 208 10.013 11.728 -4.352 1.00 55.41 N ATOM 1447 CA GLN A 208 9.652 11.159 -3.059 1.00 51.11 C ATOM 1448 C GLN A 208 10.249 9.766 -2.892 1.00 72.43 C ATOM 1449 O GLN A 208 9.710 8.783 -3.403 1.00 4.22 O ATOM 1450 CB GLN A 208 8.131 11.096 -2.912 1.00 54.23 C ATOM 1451 CG GLN A 208 7.663 10.977 -1.471 1.00 11.13 C ATOM 1452 CD GLN A 208 6.335 10.256 -1.346 1.00 2.24 C ATOM 1453 OE1 GLN A 208 5.280 10.821 -1.634 1.00 35.24 O ATOM 1454 NE2 GLN A 208 6.381 9.001 -0.914 1.00 41.13 N ATOM 0 H GLN A 208 9.573 11.272 -5.151 1.00 55.41 H new ATOM 0 HA GLN A 208 10.058 11.804 -2.280 1.00 51.11 H new ATOM 0 HB2 GLN A 208 7.694 11.991 -3.354 1.00 54.23 H new ATOM 0 HB3 GLN A 208 7.755 10.245 -3.479 1.00 54.23 H new ATOM 0 HG2 GLN A 208 8.417 10.445 -0.891 1.00 11.13 H new ATOM 0 HG3 GLN A 208 7.573 11.974 -1.039 1.00 11.13 H new ATOM 0 HE21 GLN A 208 7.278 8.572 -0.687 1.00 41.13 H new ATOM 0 HE22 GLN A 208 5.519 8.466 -0.809 1.00 41.13 H new ATOM 1463 N VAL A 209 11.365 9.687 -2.175 1.00 11.24 N ATOM 1464 CA VAL A 209 12.035 8.414 -1.940 1.00 30.23 C ATOM 1465 C VAL A 209 11.968 8.021 -0.468 1.00 61.32 C ATOM 1466 O VAL A 209 11.559 8.814 0.379 1.00 53.24 O ATOM 1467 CB VAL A 209 13.510 8.466 -2.379 1.00 42.42 C ATOM 1468 CG1 VAL A 209 13.614 8.767 -3.867 1.00 21.43 C ATOM 1469 CG2 VAL A 209 14.272 9.500 -1.564 1.00 1.22 C ATOM 0 H VAL A 209 11.825 10.490 -1.746 1.00 11.24 H new ATOM 0 HA VAL A 209 11.512 7.667 -2.537 1.00 30.23 H new ATOM 0 HB VAL A 209 13.960 7.490 -2.197 1.00 42.42 H new ATOM 0 HG11 VAL A 209 14.664 8.800 -4.159 1.00 21.43 H new ATOM 0 HG12 VAL A 209 13.104 7.987 -4.433 1.00 21.43 H new ATOM 0 HG13 VAL A 209 13.149 9.730 -4.077 1.00 21.43 H new ATOM 0 HG21 VAL A 209 15.313 9.523 -1.887 1.00 1.22 H new ATOM 0 HG22 VAL A 209 13.824 10.482 -1.712 1.00 1.22 H new ATOM 0 HG23 VAL A 209 14.226 9.236 -0.507 1.00 1.22 H new ATOM 1479 N ALA A 210 12.374 6.791 -0.171 1.00 73.50 N ATOM 1480 CA ALA A 210 12.362 6.293 1.199 1.00 65.52 C ATOM 1481 C ALA A 210 13.778 6.020 1.696 1.00 62.05 C ATOM 1482 O ALA A 210 14.502 5.207 1.121 1.00 33.14 O ATOM 1483 CB ALA A 210 11.515 5.032 1.295 1.00 5.22 C ATOM 0 H ALA A 210 12.715 6.121 -0.860 1.00 73.50 H new ATOM 0 HA ALA A 210 11.923 7.062 1.835 1.00 65.52 H new ATOM 0 HB1 ALA A 210 11.515 4.671 2.324 1.00 5.22 H new ATOM 0 HB2 ALA A 210 10.493 5.256 0.989 1.00 5.22 H new ATOM 0 HB3 ALA A 210 11.930 4.265 0.641 1.00 5.22 H new ATOM 1489 N ALA A 211 14.167 6.706 2.765 1.00 22.24 N ATOM 1490 CA ALA A 211 15.496 6.536 3.340 1.00 41.22 C ATOM 1491 C ALA A 211 15.501 5.437 4.397 1.00 1.31 C ATOM 1492 O ALA A 211 14.690 5.450 5.324 1.00 20.30 O ATOM 1493 CB ALA A 211 15.984 7.848 3.937 1.00 63.12 C ATOM 0 H ALA A 211 13.581 7.385 3.251 1.00 22.24 H new ATOM 0 HA ALA A 211 16.175 6.238 2.541 1.00 41.22 H new ATOM 0 HB1 ALA A 211 16.977 7.707 4.363 1.00 63.12 H new ATOM 0 HB2 ALA A 211 16.028 8.608 3.157 1.00 63.12 H new ATOM 0 HB3 ALA A 211 15.296 8.170 4.719 1.00 63.12 H new