USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 587 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 218 CYS SG : rot -36:sc= 1.49 USER MOD Set 1.2: A 234 LYS NZ :NH3+ 159:sc= -1.17! (180deg=-1.96!) USER MOD Set 1.3: A 235 GLN : amide:sc= 1.1 K(o=1.4,f=-7.6) USER MOD Single : A 176 SER OG : rot 180:sc= 0 USER MOD Single : A 179 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 182 GLN : amide:sc= 0.187 K(o=0.19,f=-5.2!) USER MOD Single : A 184 THR OG1 : rot -35:sc= 0.167 USER MOD Single : A 188 CYS SG : rot 180:sc= 0 USER MOD Single : A 191 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 193 THR OG1 : rot 34:sc= 0.0456 USER MOD Single : A 194 TYR OH : rot 180:sc= 0 USER MOD Single : A 195 SER OG : rot 76:sc= 0.0364 USER MOD Single : A 196 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 197 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 198 SER OG : rot 180:sc= 0 USER MOD Single : A 199 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 203 SER OG : rot 180:sc= 0 USER MOD Single : A 204 ASN : amide:sc= -0.124 K(o=-0.12,f=-2.2!) USER MOD Single : A 205 LYS NZ :NH3+ 171:sc= -0.0336 (180deg=-0.151) USER MOD Single : A 207 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 209 HIS : no HD1:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 211 SER OG : rot 180:sc= 0 USER MOD Single : A 214 MET CE :methyl 180:sc= -0.178 (180deg=-0.178) USER MOD Single : A 217 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.039) USER MOD Single : A 224 SER OG : rot 180:sc= 0 USER MOD Single : A 228 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 229 LYS NZ :NH3+ -157:sc= 0.924 (180deg=-0.648!) USER MOD Single : A 231 HIS : no HD1:sc= -1.31 K(o=-1.3,f=-2.6) USER MOD Single : A 236 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 237 THR OG1 : rot 180:sc= -0.223 USER MOD Single : A 241 SER OG : rot 180:sc= 0 USER MOD Single : A 243 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 244 SER OG : rot 34:sc= 0.632 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 175 42.966 81.355 4.008 1.00 44.44 N ATOM 2 CA ARG A 175 42.807 81.763 2.610 1.00 25.31 C ATOM 3 C ARG A 175 43.507 80.700 1.760 1.00 23.33 C ATOM 4 O ARG A 175 44.730 80.699 1.749 1.00 72.25 O ATOM 5 CB ARG A 175 43.471 83.139 2.355 1.00 63.20 C ATOM 6 CG ARG A 175 42.716 84.378 2.868 1.00 35.43 C ATOM 7 CD ARG A 175 43.547 85.640 2.564 1.00 51.31 C ATOM 8 NE ARG A 175 42.843 86.896 2.894 1.00 63.41 N ATOM 9 CZ ARG A 175 43.364 88.133 2.805 1.00 22.04 C ATOM 10 NH1 ARG A 175 44.634 88.315 2.438 1.00 63.22 N1+ ATOM 11 NH2 ARG A 175 42.610 89.194 3.086 1.00 52.51 N ATOM 0 HA ARG A 175 41.750 81.853 2.361 1.00 25.31 H new ATOM 0 HB2 ARG A 175 44.460 83.129 2.813 1.00 63.20 H new ATOM 0 HB3 ARG A 175 43.619 83.251 1.281 1.00 63.20 H new ATOM 0 HG2 ARG A 175 41.739 84.447 2.389 1.00 35.43 H new ATOM 0 HG3 ARG A 175 42.540 84.293 3.940 1.00 35.43 H new ATOM 0 HD2 ARG A 175 44.480 85.596 3.126 1.00 51.31 H new ATOM 0 HD3 ARG A 175 43.811 85.647 1.507 1.00 51.31 H new ATOM 0 HE ARG A 175 41.879 86.819 3.217 1.00 63.41 H new ATOM 0 HH11 ARG A 175 45.222 87.511 2.221 1.00 63.22 H new ATOM 0 HH12 ARG A 175 45.016 89.259 2.375 1.00 63.22 H new ATOM 0 HH21 ARG A 175 41.638 89.068 3.369 1.00 52.51 H new ATOM 0 HH22 ARG A 175 43.004 90.132 3.019 1.00 52.51 H new ATOM 25 N SER A 176 42.781 79.787 1.111 1.00 54.30 N ATOM 26 CA SER A 176 43.326 78.951 0.044 1.00 40.15 C ATOM 27 C SER A 176 42.158 78.330 -0.729 1.00 12.11 C ATOM 28 O SER A 176 41.286 77.727 -0.102 1.00 40.04 O ATOM 29 CB SER A 176 44.249 77.852 0.601 1.00 24.33 C ATOM 30 OG SER A 176 44.952 77.256 -0.467 1.00 71.11 O ATOM 0 H SER A 176 41.797 79.608 1.312 1.00 54.30 H new ATOM 0 HA SER A 176 43.931 79.569 -0.620 1.00 40.15 H new ATOM 0 HB2 SER A 176 44.948 78.277 1.321 1.00 24.33 H new ATOM 0 HB3 SER A 176 43.663 77.101 1.131 1.00 24.33 H new ATOM 0 HG SER A 176 45.543 76.556 -0.119 1.00 71.11 H new ATOM 36 N LEU A 177 42.193 78.494 -2.061 1.00 42.40 N ATOM 37 CA LEU A 177 41.426 77.851 -3.140 1.00 14.14 C ATOM 38 C LEU A 177 39.903 77.709 -2.929 1.00 25.25 C ATOM 39 O LEU A 177 39.322 78.166 -1.947 1.00 72.32 O ATOM 40 CB LEU A 177 42.126 76.524 -3.537 1.00 62.05 C ATOM 41 CG LEU A 177 43.212 76.641 -4.632 1.00 74.24 C ATOM 42 CD1 LEU A 177 42.615 77.020 -5.995 1.00 32.31 C ATOM 43 CD2 LEU A 177 44.329 77.630 -4.273 1.00 21.13 C ATOM 0 H LEU A 177 42.846 79.170 -2.458 1.00 42.40 H new ATOM 0 HA LEU A 177 41.445 78.547 -3.978 1.00 14.14 H new ATOM 0 HB2 LEU A 177 42.580 76.093 -2.645 1.00 62.05 H new ATOM 0 HB3 LEU A 177 41.366 75.821 -3.878 1.00 62.05 H new ATOM 0 HG LEU A 177 43.654 75.647 -4.698 1.00 74.24 H new ATOM 0 HD11 LEU A 177 43.413 77.091 -6.734 1.00 32.31 H new ATOM 0 HD12 LEU A 177 41.901 76.257 -6.304 1.00 32.31 H new ATOM 0 HD13 LEU A 177 42.107 77.981 -5.915 1.00 32.31 H new ATOM 0 HD21 LEU A 177 45.058 77.665 -5.083 1.00 21.13 H new ATOM 0 HD22 LEU A 177 43.903 78.622 -4.125 1.00 21.13 H new ATOM 0 HD23 LEU A 177 44.821 77.306 -3.356 1.00 21.13 H new ATOM 55 N ARG A 178 39.208 77.123 -3.915 1.00 24.30 N ATOM 56 CA ARG A 178 37.777 76.810 -3.849 1.00 3.45 C ATOM 57 C ARG A 178 37.519 75.465 -4.537 1.00 25.42 C ATOM 58 O ARG A 178 36.797 75.406 -5.524 1.00 34.30 O ATOM 59 CB ARG A 178 36.909 77.933 -4.463 1.00 73.44 C ATOM 60 CG ARG A 178 36.925 79.264 -3.691 1.00 23.23 C ATOM 61 CD ARG A 178 35.721 80.155 -4.044 1.00 61.32 C ATOM 62 NE ARG A 178 35.670 80.525 -5.473 1.00 43.12 N ATOM 63 CZ ARG A 178 34.594 80.985 -6.133 1.00 4.41 C ATOM 64 NH1 ARG A 178 33.428 81.149 -5.508 1.00 33.23 N1+ ATOM 65 NH2 ARG A 178 34.690 81.285 -7.427 1.00 63.23 N ATOM 0 H ARG A 178 39.637 76.848 -4.799 1.00 24.30 H new ATOM 0 HA ARG A 178 37.487 76.737 -2.801 1.00 3.45 H new ATOM 0 HB2 ARG A 178 37.248 78.118 -5.482 1.00 73.44 H new ATOM 0 HB3 ARG A 178 35.880 77.581 -4.529 1.00 73.44 H new ATOM 0 HG2 ARG A 178 36.923 79.061 -2.620 1.00 23.23 H new ATOM 0 HG3 ARG A 178 37.848 79.799 -3.912 1.00 23.23 H new ATOM 0 HD2 ARG A 178 34.801 79.634 -3.777 1.00 61.32 H new ATOM 0 HD3 ARG A 178 35.760 81.063 -3.442 1.00 61.32 H new ATOM 0 HE ARG A 178 36.532 80.422 -6.009 1.00 43.12 H new ATOM 0 HH11 ARG A 178 33.345 80.924 -4.517 1.00 33.23 H new ATOM 0 HH12 ARG A 178 32.619 81.499 -6.021 1.00 33.23 H new ATOM 0 HH21 ARG A 178 35.578 81.165 -7.914 1.00 63.23 H new ATOM 0 HH22 ARG A 178 33.875 81.634 -7.931 1.00 63.23 H new ATOM 79 N GLN A 179 38.103 74.384 -4.023 1.00 24.00 N ATOM 80 CA GLN A 179 37.862 73.020 -4.490 1.00 3.32 C ATOM 81 C GLN A 179 37.578 72.171 -3.256 1.00 35.51 C ATOM 82 O GLN A 179 38.364 72.207 -2.309 1.00 2.32 O ATOM 83 CB GLN A 179 39.094 72.489 -5.241 1.00 52.52 C ATOM 84 CG GLN A 179 39.262 73.106 -6.637 1.00 55.30 C ATOM 85 CD GLN A 179 40.697 72.941 -7.125 1.00 71.53 C ATOM 86 OE1 GLN A 179 41.555 73.732 -6.753 1.00 14.25 O ATOM 87 NE2 GLN A 179 40.989 71.931 -7.929 1.00 3.14 N ATOM 0 H GLN A 179 38.771 74.433 -3.254 1.00 24.00 H new ATOM 0 HA GLN A 179 37.020 72.987 -5.181 1.00 3.32 H new ATOM 0 HB2 GLN A 179 39.987 72.693 -4.651 1.00 52.52 H new ATOM 0 HB3 GLN A 179 39.015 71.406 -5.336 1.00 52.52 H new ATOM 0 HG2 GLN A 179 38.576 72.628 -7.337 1.00 55.30 H new ATOM 0 HG3 GLN A 179 39.001 74.164 -6.607 1.00 55.30 H new ATOM 0 HE21 GLN A 179 40.256 71.286 -8.224 1.00 3.14 H new ATOM 0 HE22 GLN A 179 41.947 71.798 -8.253 1.00 3.14 H new ATOM 96 N ARG A 180 36.446 71.465 -3.238 1.00 65.05 N ATOM 97 CA ARG A 180 36.099 70.386 -2.314 1.00 64.25 C ATOM 98 C ARG A 180 35.292 69.421 -3.175 1.00 43.03 C ATOM 99 O ARG A 180 34.154 69.747 -3.493 1.00 61.12 O ATOM 100 CB ARG A 180 35.230 70.849 -1.119 1.00 54.40 C ATOM 101 CG ARG A 180 35.991 71.268 0.149 1.00 40.31 C ATOM 102 CD ARG A 180 36.665 72.638 0.026 1.00 25.33 C ATOM 103 NE ARG A 180 36.169 73.628 0.996 1.00 63.12 N ATOM 104 CZ ARG A 180 36.681 74.856 1.147 1.00 4.44 C ATOM 105 NH1 ARG A 180 37.780 75.212 0.475 1.00 33.41 N1+ ATOM 106 NH2 ARG A 180 36.085 75.721 1.965 1.00 74.54 N ATOM 0 H ARG A 180 35.701 71.644 -3.911 1.00 65.05 H new ATOM 0 HA ARG A 180 36.997 69.961 -1.867 1.00 64.25 H new ATOM 0 HB2 ARG A 180 34.618 71.690 -1.445 1.00 54.40 H new ATOM 0 HB3 ARG A 180 34.547 70.040 -0.858 1.00 54.40 H new ATOM 0 HG2 ARG A 180 35.299 71.286 0.991 1.00 40.31 H new ATOM 0 HG3 ARG A 180 36.748 70.517 0.375 1.00 40.31 H new ATOM 0 HD2 ARG A 180 37.740 72.518 0.160 1.00 25.33 H new ATOM 0 HD3 ARG A 180 36.510 73.021 -0.983 1.00 25.33 H new ATOM 0 HE ARG A 180 35.385 73.361 1.591 1.00 63.12 H new ATOM 0 HH11 ARG A 180 38.230 74.548 -0.154 1.00 33.41 H new ATOM 0 HH12 ARG A 180 38.168 76.148 0.592 1.00 33.41 H new ATOM 0 HH21 ARG A 180 35.244 75.447 2.472 1.00 74.54 H new ATOM 0 HH22 ARG A 180 36.470 76.658 2.085 1.00 74.54 H new ATOM 120 N LEU A 181 35.890 68.322 -3.616 1.00 42.44 N ATOM 121 CA LEU A 181 35.254 67.239 -4.347 1.00 73.23 C ATOM 122 C LEU A 181 36.125 65.993 -4.173 1.00 71.21 C ATOM 123 O LEU A 181 37.250 66.096 -3.682 1.00 74.14 O ATOM 124 CB LEU A 181 35.054 67.616 -5.828 1.00 33.22 C ATOM 125 CG LEU A 181 36.271 67.525 -6.772 1.00 33.35 C ATOM 126 CD1 LEU A 181 35.855 67.993 -8.169 1.00 5.21 C ATOM 127 CD2 LEU A 181 37.481 68.356 -6.319 1.00 70.12 C ATOM 0 H LEU A 181 36.885 68.155 -3.464 1.00 42.44 H new ATOM 0 HA LEU A 181 34.256 67.039 -3.956 1.00 73.23 H new ATOM 0 HB2 LEU A 181 34.270 66.976 -6.232 1.00 33.22 H new ATOM 0 HB3 LEU A 181 34.680 68.639 -5.864 1.00 33.22 H new ATOM 0 HG LEU A 181 36.585 66.481 -6.765 1.00 33.35 H new ATOM 0 HD11 LEU A 181 36.710 67.932 -8.843 1.00 5.21 H new ATOM 0 HD12 LEU A 181 35.053 67.356 -8.542 1.00 5.21 H new ATOM 0 HD13 LEU A 181 35.506 69.024 -8.118 1.00 5.21 H new ATOM 0 HD21 LEU A 181 38.293 68.237 -7.036 1.00 70.12 H new ATOM 0 HD22 LEU A 181 37.199 69.407 -6.261 1.00 70.12 H new ATOM 0 HD23 LEU A 181 37.811 68.014 -5.338 1.00 70.12 H new ATOM 139 N GLN A 182 35.625 64.837 -4.592 1.00 62.31 N ATOM 140 CA GLN A 182 36.272 63.538 -4.478 1.00 40.10 C ATOM 141 C GLN A 182 36.633 63.042 -5.878 1.00 63.11 C ATOM 142 O GLN A 182 36.227 61.970 -6.310 1.00 12.30 O ATOM 143 CB GLN A 182 35.397 62.571 -3.649 1.00 72.53 C ATOM 144 CG GLN A 182 33.976 62.283 -4.180 1.00 23.40 C ATOM 145 CD GLN A 182 32.915 63.299 -3.753 1.00 41.05 C ATOM 146 OE1 GLN A 182 32.933 64.461 -4.147 1.00 54.13 O ATOM 147 NE2 GLN A 182 31.950 62.892 -2.945 1.00 22.23 N ATOM 0 H GLN A 182 34.712 64.778 -5.043 1.00 62.31 H new ATOM 0 HA GLN A 182 37.208 63.608 -3.925 1.00 40.10 H new ATOM 0 HB2 GLN A 182 35.926 61.622 -3.565 1.00 72.53 H new ATOM 0 HB3 GLN A 182 35.307 62.975 -2.641 1.00 72.53 H new ATOM 0 HG2 GLN A 182 34.010 62.250 -5.269 1.00 23.40 H new ATOM 0 HG3 GLN A 182 33.670 61.294 -3.840 1.00 23.40 H new ATOM 0 HE21 GLN A 182 31.933 61.927 -2.616 1.00 22.23 H new ATOM 0 HE22 GLN A 182 31.223 63.544 -2.651 1.00 22.23 H new ATOM 156 N ASP A 183 37.436 63.839 -6.580 1.00 20.03 N ATOM 157 CA ASP A 183 37.742 63.702 -8.014 1.00 43.12 C ATOM 158 C ASP A 183 38.505 62.417 -8.328 1.00 32.23 C ATOM 159 O ASP A 183 38.569 61.940 -9.454 1.00 34.24 O ATOM 160 CB ASP A 183 38.586 64.917 -8.451 1.00 20.31 C ATOM 161 CG ASP A 183 38.245 65.420 -9.854 1.00 12.13 C ATOM 162 OD1 ASP A 183 37.034 65.491 -10.159 1.00 23.45 O1- ATOM 163 OD2 ASP A 183 39.196 65.844 -10.545 1.00 22.45 O ATOM 0 H ASP A 183 37.914 64.633 -6.153 1.00 20.03 H new ATOM 0 HA ASP A 183 36.799 63.658 -8.559 1.00 43.12 H new ATOM 0 HB2 ASP A 183 38.440 65.727 -7.737 1.00 20.31 H new ATOM 0 HB3 ASP A 183 39.642 64.648 -8.416 1.00 20.31 H new ATOM 168 N THR A 184 39.040 61.819 -7.273 1.00 51.30 N ATOM 169 CA THR A 184 39.832 60.611 -7.277 1.00 22.11 C ATOM 170 C THR A 184 39.004 59.380 -6.901 1.00 53.13 C ATOM 171 O THR A 184 39.513 58.266 -7.036 1.00 71.31 O ATOM 172 CB THR A 184 41.035 60.849 -6.340 1.00 3.31 C ATOM 173 OG1 THR A 184 41.940 59.768 -6.369 1.00 25.41 O ATOM 174 CG2 THR A 184 40.630 61.109 -4.877 1.00 51.10 C ATOM 0 H THR A 184 38.921 62.195 -6.332 1.00 51.30 H new ATOM 0 HA THR A 184 40.196 60.393 -8.281 1.00 22.11 H new ATOM 0 HB THR A 184 41.514 61.749 -6.726 1.00 3.31 H new ATOM 0 HG1 THR A 184 41.445 58.929 -6.478 1.00 25.41 H new ATOM 0 HG21 THR A 184 41.524 61.268 -4.275 1.00 51.10 H new ATOM 0 HG22 THR A 184 39.997 61.995 -4.827 1.00 51.10 H new ATOM 0 HG23 THR A 184 40.082 60.249 -4.493 1.00 51.10 H new ATOM 182 N VAL A 185 37.776 59.548 -6.399 1.00 43.51 N ATOM 183 CA VAL A 185 36.945 58.436 -5.932 1.00 73.04 C ATOM 184 C VAL A 185 35.476 58.861 -5.856 1.00 11.42 C ATOM 185 O VAL A 185 34.987 59.294 -4.814 1.00 54.52 O ATOM 186 CB VAL A 185 37.517 57.824 -4.627 1.00 23.54 C ATOM 187 CG1 VAL A 185 37.653 58.786 -3.431 1.00 72.43 C ATOM 188 CG2 VAL A 185 36.752 56.563 -4.200 1.00 23.12 C ATOM 0 H VAL A 185 37.331 60.461 -6.305 1.00 43.51 H new ATOM 0 HA VAL A 185 36.974 57.623 -6.657 1.00 73.04 H new ATOM 0 HB VAL A 185 38.538 57.565 -4.906 1.00 23.54 H new ATOM 0 HG11 VAL A 185 38.063 58.248 -2.576 1.00 72.43 H new ATOM 0 HG12 VAL A 185 38.320 59.606 -3.697 1.00 72.43 H new ATOM 0 HG13 VAL A 185 36.672 59.186 -3.172 1.00 72.43 H new ATOM 0 HG21 VAL A 185 37.186 56.168 -3.282 1.00 23.12 H new ATOM 0 HG22 VAL A 185 35.705 56.813 -4.028 1.00 23.12 H new ATOM 0 HG23 VAL A 185 36.821 55.812 -4.987 1.00 23.12 H new ATOM 198 N GLY A 186 34.755 58.726 -6.970 1.00 64.11 N ATOM 199 CA GLY A 186 33.364 59.171 -7.031 1.00 14.24 C ATOM 200 C GLY A 186 32.535 58.591 -8.175 1.00 62.45 C ATOM 201 O GLY A 186 31.481 59.146 -8.471 1.00 21.23 O ATOM 0 H GLY A 186 35.108 58.316 -7.835 1.00 64.11 H new ATOM 0 HA2 GLY A 186 32.878 58.917 -6.089 1.00 14.24 H new ATOM 0 HA3 GLY A 186 33.352 60.258 -7.112 1.00 14.24 H new ATOM 205 N LEU A 187 32.981 57.518 -8.845 1.00 72.41 N ATOM 206 CA LEU A 187 32.375 57.074 -10.101 1.00 12.03 C ATOM 207 C LEU A 187 32.137 55.564 -10.079 1.00 61.21 C ATOM 208 O LEU A 187 33.089 54.784 -10.054 1.00 12.43 O ATOM 209 CB LEU A 187 33.267 57.506 -11.287 1.00 63.55 C ATOM 210 CG LEU A 187 32.500 57.954 -12.547 1.00 32.34 C ATOM 211 CD1 LEU A 187 31.470 56.924 -13.034 1.00 15.23 C ATOM 212 CD2 LEU A 187 31.826 59.315 -12.338 1.00 11.21 C ATOM 0 H LEU A 187 33.763 56.942 -8.533 1.00 72.41 H new ATOM 0 HA LEU A 187 31.400 57.546 -10.224 1.00 12.03 H new ATOM 0 HB2 LEU A 187 33.909 58.324 -10.960 1.00 63.55 H new ATOM 0 HB3 LEU A 187 33.920 56.675 -11.553 1.00 63.55 H new ATOM 0 HG LEU A 187 33.253 58.044 -13.330 1.00 32.34 H new ATOM 0 HD11 LEU A 187 30.968 57.304 -13.923 1.00 15.23 H new ATOM 0 HD12 LEU A 187 31.976 55.989 -13.275 1.00 15.23 H new ATOM 0 HD13 LEU A 187 30.734 56.746 -12.250 1.00 15.23 H new ATOM 0 HD21 LEU A 187 31.294 59.601 -13.246 1.00 11.21 H new ATOM 0 HD22 LEU A 187 31.121 59.248 -11.510 1.00 11.21 H new ATOM 0 HD23 LEU A 187 32.583 60.065 -12.110 1.00 11.21 H new ATOM 224 N CYS A 188 30.872 55.139 -10.095 1.00 5.10 N ATOM 225 CA CYS A 188 30.453 53.755 -10.297 1.00 41.23 C ATOM 226 C CYS A 188 29.065 53.749 -10.945 1.00 61.24 C ATOM 227 O CYS A 188 28.336 54.731 -10.811 1.00 13.40 O ATOM 228 CB CYS A 188 30.429 53.012 -8.950 1.00 24.44 C ATOM 229 SG CYS A 188 29.460 53.916 -7.702 1.00 53.45 S ATOM 0 H CYS A 188 30.085 55.774 -9.963 1.00 5.10 H new ATOM 0 HA CYS A 188 31.157 53.243 -10.953 1.00 41.23 H new ATOM 0 HB2 CYS A 188 30.005 52.018 -9.090 1.00 24.44 H new ATOM 0 HB3 CYS A 188 31.449 52.876 -8.591 1.00 24.44 H new ATOM 0 HG CYS A 188 29.465 53.252 -6.584 1.00 53.45 H new ATOM 235 N PHE A 189 28.669 52.648 -11.592 1.00 52.22 N ATOM 236 CA PHE A 189 27.337 52.480 -12.177 1.00 21.13 C ATOM 237 C PHE A 189 27.019 50.980 -12.333 1.00 22.14 C ATOM 238 O PHE A 189 27.950 50.176 -12.452 1.00 63.21 O ATOM 239 CB PHE A 189 27.257 53.216 -13.528 1.00 11.22 C ATOM 240 CG PHE A 189 28.474 53.073 -14.428 1.00 52.44 C ATOM 241 CD1 PHE A 189 28.655 51.910 -15.200 1.00 72.12 C ATOM 242 CD2 PHE A 189 29.431 54.104 -14.487 1.00 41.44 C ATOM 243 CE1 PHE A 189 29.784 51.779 -16.028 1.00 71.13 C ATOM 244 CE2 PHE A 189 30.561 53.973 -15.313 1.00 33.44 C ATOM 245 CZ PHE A 189 30.738 52.811 -16.084 1.00 32.31 C ATOM 0 H PHE A 189 29.274 51.838 -11.725 1.00 52.22 H new ATOM 0 HA PHE A 189 26.590 52.916 -11.514 1.00 21.13 H new ATOM 0 HB2 PHE A 189 26.383 52.852 -14.068 1.00 11.22 H new ATOM 0 HB3 PHE A 189 27.093 54.276 -13.335 1.00 11.22 H new ATOM 0 HD1 PHE A 189 27.924 51.116 -15.156 1.00 72.12 H new ATOM 0 HD2 PHE A 189 29.297 54.998 -13.896 1.00 41.44 H new ATOM 0 HE1 PHE A 189 29.919 50.886 -16.621 1.00 71.13 H new ATOM 0 HE2 PHE A 189 31.293 54.766 -15.355 1.00 33.44 H new ATOM 0 HZ PHE A 189 31.606 52.711 -16.719 1.00 32.31 H new ATOM 255 N PRO A 190 25.734 50.578 -12.327 1.00 74.42 N ATOM 256 CA PRO A 190 25.319 49.186 -12.473 1.00 62.01 C ATOM 257 C PRO A 190 25.386 48.747 -13.945 1.00 31.33 C ATOM 258 O PRO A 190 24.522 49.119 -14.737 1.00 55.50 O ATOM 259 CB PRO A 190 23.889 49.141 -11.917 1.00 44.41 C ATOM 260 CG PRO A 190 23.340 50.538 -12.206 1.00 32.21 C ATOM 261 CD PRO A 190 24.576 51.430 -12.077 1.00 14.15 C ATOM 0 HA PRO A 190 25.971 48.496 -11.938 1.00 62.01 H new ATOM 0 HB2 PRO A 190 23.294 48.369 -12.405 1.00 44.41 H new ATOM 0 HB3 PRO A 190 23.882 48.922 -10.849 1.00 44.41 H new ATOM 0 HG2 PRO A 190 22.900 50.600 -13.201 1.00 32.21 H new ATOM 0 HG3 PRO A 190 22.563 50.821 -11.496 1.00 32.21 H new ATOM 0 HD2 PRO A 190 24.537 52.251 -12.793 1.00 14.15 H new ATOM 0 HD3 PRO A 190 24.630 51.875 -11.084 1.00 14.15 H new ATOM 269 N MET A 191 26.397 47.957 -14.324 1.00 5.12 N ATOM 270 CA MET A 191 26.525 47.430 -15.688 1.00 32.15 C ATOM 271 C MET A 191 27.069 45.989 -15.714 1.00 53.20 C ATOM 272 O MET A 191 27.663 45.572 -16.708 1.00 13.41 O ATOM 273 CB MET A 191 27.355 48.438 -16.518 1.00 33.21 C ATOM 274 CG MET A 191 27.346 48.228 -18.039 1.00 23.31 C ATOM 275 SD MET A 191 25.708 48.010 -18.786 1.00 33.12 S ATOM 276 CE MET A 191 26.170 48.074 -20.537 1.00 34.42 C ATOM 0 H MET A 191 27.147 47.666 -13.697 1.00 5.12 H new ATOM 0 HA MET A 191 25.541 47.338 -16.149 1.00 32.15 H new ATOM 0 HB2 MET A 191 26.986 49.442 -16.308 1.00 33.21 H new ATOM 0 HB3 MET A 191 28.388 48.399 -16.172 1.00 33.21 H new ATOM 0 HG2 MET A 191 27.830 49.084 -18.509 1.00 23.31 H new ATOM 0 HG3 MET A 191 27.952 47.352 -18.271 1.00 23.31 H new ATOM 0 HE1 MET A 191 25.279 47.956 -21.153 1.00 34.42 H new ATOM 0 HE2 MET A 191 26.637 49.034 -20.755 1.00 34.42 H new ATOM 0 HE3 MET A 191 26.873 47.270 -20.757 1.00 34.42 H new ATOM 286 N ARG A 192 26.924 45.208 -14.634 1.00 54.31 N ATOM 287 CA ARG A 192 27.477 43.853 -14.535 1.00 71.24 C ATOM 288 C ARG A 192 26.546 42.953 -13.730 1.00 74.33 C ATOM 289 O ARG A 192 26.288 43.210 -12.550 1.00 44.54 O ATOM 290 CB ARG A 192 28.904 43.912 -13.950 1.00 53.03 C ATOM 291 CG ARG A 192 29.956 43.714 -15.060 1.00 10.34 C ATOM 292 CD ARG A 192 31.270 44.461 -14.829 1.00 64.52 C ATOM 293 NE ARG A 192 32.082 43.871 -13.750 1.00 53.10 N ATOM 294 CZ ARG A 192 33.158 44.444 -13.195 1.00 23.44 C ATOM 295 NH1 ARG A 192 33.562 45.651 -13.599 1.00 33.24 N1+ ATOM 296 NH2 ARG A 192 33.829 43.812 -12.235 1.00 13.53 N ATOM 0 H ARG A 192 26.416 45.502 -13.800 1.00 54.31 H new ATOM 0 HA ARG A 192 27.552 43.413 -15.529 1.00 71.24 H new ATOM 0 HB2 ARG A 192 29.062 44.872 -13.459 1.00 53.03 H new ATOM 0 HB3 ARG A 192 29.022 43.142 -13.188 1.00 53.03 H new ATOM 0 HG2 ARG A 192 30.170 42.649 -15.155 1.00 10.34 H new ATOM 0 HG3 ARG A 192 29.530 44.039 -16.009 1.00 10.34 H new ATOM 0 HD2 ARG A 192 31.848 44.463 -15.753 1.00 64.52 H new ATOM 0 HD3 ARG A 192 31.053 45.501 -14.587 1.00 64.52 H new ATOM 0 HE ARG A 192 31.803 42.955 -13.398 1.00 53.10 H new ATOM 0 HH11 ARG A 192 33.051 46.141 -14.333 1.00 33.24 H new ATOM 0 HH12 ARG A 192 34.382 46.083 -13.173 1.00 33.24 H new ATOM 0 HH21 ARG A 192 33.524 42.891 -11.921 1.00 13.53 H new ATOM 0 HH22 ARG A 192 34.648 44.249 -11.813 1.00 13.53 H new ATOM 310 N THR A 193 26.052 41.895 -14.366 1.00 21.21 N ATOM 311 CA THR A 193 25.197 40.868 -13.792 1.00 71.03 C ATOM 312 C THR A 193 25.638 39.535 -14.399 1.00 61.34 C ATOM 313 O THR A 193 25.687 39.399 -15.623 1.00 73.14 O ATOM 314 CB THR A 193 23.708 41.167 -14.067 1.00 53.20 C ATOM 315 OG1 THR A 193 23.467 41.482 -15.422 1.00 41.42 O ATOM 316 CG2 THR A 193 23.177 42.341 -13.248 1.00 75.33 C ATOM 0 H THR A 193 26.251 41.724 -15.352 1.00 21.21 H new ATOM 0 HA THR A 193 25.296 40.836 -12.707 1.00 71.03 H new ATOM 0 HB THR A 193 23.194 40.248 -13.785 1.00 53.20 H new ATOM 0 HG1 THR A 193 24.077 40.967 -15.991 1.00 41.42 H new ATOM 0 HG21 THR A 193 22.125 42.503 -13.484 1.00 75.33 H new ATOM 0 HG22 THR A 193 23.280 42.120 -12.186 1.00 75.33 H new ATOM 0 HG23 THR A 193 23.746 43.239 -13.489 1.00 75.33 H new ATOM 324 N TYR A 194 26.010 38.583 -13.545 1.00 32.21 N ATOM 325 CA TYR A 194 26.586 37.287 -13.901 1.00 24.41 C ATOM 326 C TYR A 194 26.196 36.216 -12.862 1.00 2.42 C ATOM 327 O TYR A 194 26.852 35.183 -12.719 1.00 43.14 O ATOM 328 CB TYR A 194 28.111 37.464 -14.035 1.00 72.14 C ATOM 329 CG TYR A 194 28.789 38.119 -12.837 1.00 73.13 C ATOM 330 CD1 TYR A 194 29.173 37.336 -11.737 1.00 72.31 C ATOM 331 CD2 TYR A 194 28.991 39.513 -12.793 1.00 45.31 C ATOM 332 CE1 TYR A 194 29.745 37.933 -10.600 1.00 32.21 C ATOM 333 CE2 TYR A 194 29.589 40.118 -11.671 1.00 5.30 C ATOM 334 CZ TYR A 194 29.985 39.324 -10.572 1.00 42.51 C ATOM 335 OH TYR A 194 30.594 39.870 -9.487 1.00 72.23 O ATOM 0 H TYR A 194 25.913 38.700 -12.536 1.00 32.21 H new ATOM 0 HA TYR A 194 26.192 36.935 -14.854 1.00 24.41 H new ATOM 0 HB2 TYR A 194 28.563 36.486 -14.199 1.00 72.14 H new ATOM 0 HB3 TYR A 194 28.316 38.063 -14.922 1.00 72.14 H new ATOM 0 HD1 TYR A 194 29.028 36.266 -11.764 1.00 72.31 H new ATOM 0 HD2 TYR A 194 28.684 40.124 -13.629 1.00 45.31 H new ATOM 0 HE1 TYR A 194 30.002 37.325 -9.745 1.00 32.21 H new ATOM 0 HE2 TYR A 194 29.745 41.187 -11.651 1.00 5.30 H new ATOM 0 HH TYR A 194 30.690 40.836 -9.618 1.00 72.23 H new ATOM 345 N SER A 195 25.151 36.492 -12.077 1.00 32.13 N ATOM 346 CA SER A 195 24.712 35.677 -10.945 1.00 10.15 C ATOM 347 C SER A 195 23.184 35.681 -10.778 1.00 61.15 C ATOM 348 O SER A 195 22.716 35.347 -9.688 1.00 42.40 O ATOM 349 CB SER A 195 25.402 36.150 -9.653 1.00 65.44 C ATOM 350 OG SER A 195 26.801 36.359 -9.823 1.00 24.24 O ATOM 0 H SER A 195 24.569 37.317 -12.218 1.00 32.13 H new ATOM 0 HA SER A 195 25.004 34.647 -11.152 1.00 10.15 H new ATOM 0 HB2 SER A 195 24.938 37.077 -9.317 1.00 65.44 H new ATOM 0 HB3 SER A 195 25.242 35.411 -8.868 1.00 65.44 H new ATOM 0 HG SER A 195 26.950 37.202 -10.300 1.00 24.24 H new ATOM 356 N LYS A 196 22.405 36.042 -11.810 1.00 35.23 N ATOM 357 CA LYS A 196 20.939 36.045 -11.786 1.00 32.13 C ATOM 358 C LYS A 196 20.442 34.990 -12.768 1.00 0.52 C ATOM 359 O LYS A 196 20.162 35.330 -13.923 1.00 54.11 O ATOM 360 CB LYS A 196 20.342 37.425 -12.132 1.00 20.51 C ATOM 361 CG LYS A 196 20.771 38.584 -11.226 1.00 51.31 C ATOM 362 CD LYS A 196 19.826 39.780 -11.436 1.00 13.40 C ATOM 363 CE LYS A 196 20.512 41.112 -11.121 1.00 13.14 C ATOM 364 NZ LYS A 196 19.582 42.252 -11.228 1.00 11.14 N1+ ATOM 0 H LYS A 196 22.789 36.347 -12.704 1.00 35.23 H new ATOM 0 HA LYS A 196 20.610 35.815 -10.772 1.00 32.13 H new ATOM 0 HB2 LYS A 196 20.615 37.671 -13.158 1.00 20.51 H new ATOM 0 HB3 LYS A 196 19.255 37.348 -12.101 1.00 20.51 H new ATOM 0 HG2 LYS A 196 20.750 38.270 -10.182 1.00 51.31 H new ATOM 0 HG3 LYS A 196 21.797 38.874 -11.451 1.00 51.31 H new ATOM 0 HD2 LYS A 196 19.474 39.788 -12.468 1.00 13.40 H new ATOM 0 HD3 LYS A 196 18.948 39.665 -10.801 1.00 13.40 H new ATOM 0 HE2 LYS A 196 20.927 41.076 -10.114 1.00 13.14 H new ATOM 0 HE3 LYS A 196 21.347 41.260 -11.805 1.00 13.14 H new ATOM 0 HZ1 LYS A 196 20.087 43.134 -11.007 1.00 11.14 H new ATOM 0 HZ2 LYS A 196 19.205 42.302 -12.196 1.00 11.14 H new ATOM 0 HZ3 LYS A 196 18.798 42.124 -10.557 1.00 11.14 H new ATOM 378 N GLN A 197 20.410 33.720 -12.363 1.00 54.34 N ATOM 379 CA GLN A 197 19.925 32.597 -13.161 1.00 31.24 C ATOM 380 C GLN A 197 20.140 31.280 -12.416 1.00 14.24 C ATOM 381 O GLN A 197 21.054 31.171 -11.598 1.00 54.12 O ATOM 382 CB GLN A 197 20.674 32.499 -14.510 1.00 52.12 C ATOM 383 CG GLN A 197 19.674 32.417 -15.667 1.00 43.43 C ATOM 384 CD GLN A 197 20.397 32.415 -17.006 1.00 62.31 C ATOM 385 OE1 GLN A 197 21.095 33.368 -17.348 1.00 22.03 O ATOM 386 NE2 GLN A 197 20.273 31.337 -17.762 1.00 44.20 N ATOM 0 H GLN A 197 20.733 33.437 -11.438 1.00 54.34 H new ATOM 0 HA GLN A 197 18.864 32.770 -13.340 1.00 31.24 H new ATOM 0 HB2 GLN A 197 21.320 33.367 -14.639 1.00 52.12 H new ATOM 0 HB3 GLN A 197 21.318 31.619 -14.513 1.00 52.12 H new ATOM 0 HG2 GLN A 197 19.074 31.512 -15.571 1.00 43.43 H new ATOM 0 HG3 GLN A 197 18.987 33.262 -15.621 1.00 43.43 H new ATOM 0 HE21 GLN A 197 19.687 30.562 -17.452 1.00 44.20 H new ATOM 0 HE22 GLN A 197 20.763 31.281 -18.655 1.00 44.20 H new ATOM 395 N SER A 198 19.415 30.246 -12.840 1.00 41.44 N ATOM 396 CA SER A 198 19.681 28.840 -12.558 1.00 54.41 C ATOM 397 C SER A 198 19.373 28.026 -13.817 1.00 63.14 C ATOM 398 O SER A 198 18.851 28.568 -14.796 1.00 14.14 O ATOM 399 CB SER A 198 18.782 28.358 -11.421 1.00 23.42 C ATOM 400 OG SER A 198 18.917 29.128 -10.243 1.00 4.34 O ATOM 0 H SER A 198 18.585 30.375 -13.418 1.00 41.44 H new ATOM 0 HA SER A 198 20.724 28.715 -12.267 1.00 54.41 H new ATOM 0 HB2 SER A 198 17.743 28.387 -11.750 1.00 23.42 H new ATOM 0 HB3 SER A 198 19.016 27.317 -11.197 1.00 23.42 H new ATOM 0 HG SER A 198 18.318 28.776 -9.552 1.00 4.34 H new ATOM 406 N LYS A 199 19.650 26.723 -13.781 1.00 11.23 N ATOM 407 CA LYS A 199 19.051 25.711 -14.646 1.00 2.21 C ATOM 408 C LYS A 199 19.138 24.349 -13.937 1.00 2.30 C ATOM 409 O LYS A 199 19.971 23.517 -14.301 1.00 75.01 O ATOM 410 CB LYS A 199 19.683 25.707 -16.045 1.00 55.42 C ATOM 411 CG LYS A 199 21.211 25.841 -16.068 1.00 60.32 C ATOM 412 CD LYS A 199 21.744 25.256 -17.379 1.00 62.24 C ATOM 413 CE LYS A 199 23.173 25.706 -17.686 1.00 63.50 C ATOM 414 NZ LYS A 199 24.170 25.084 -16.799 1.00 45.33 N1+ ATOM 0 H LYS A 199 20.323 26.330 -13.123 1.00 11.23 H new ATOM 0 HA LYS A 199 18.000 25.944 -14.816 1.00 2.21 H new ATOM 0 HB2 LYS A 199 19.407 24.781 -16.549 1.00 55.42 H new ATOM 0 HB3 LYS A 199 19.253 26.525 -16.623 1.00 55.42 H new ATOM 0 HG2 LYS A 199 21.498 26.889 -15.979 1.00 60.32 H new ATOM 0 HG3 LYS A 199 21.648 25.318 -15.217 1.00 60.32 H new ATOM 0 HD2 LYS A 199 21.713 24.168 -17.326 1.00 62.24 H new ATOM 0 HD3 LYS A 199 21.089 25.554 -18.198 1.00 62.24 H new ATOM 0 HE2 LYS A 199 23.412 25.462 -18.721 1.00 63.50 H new ATOM 0 HE3 LYS A 199 23.236 26.790 -17.592 1.00 63.50 H new ATOM 0 HZ1 LYS A 199 25.120 25.424 -17.052 1.00 45.33 H new ATOM 0 HZ2 LYS A 199 23.963 25.337 -15.812 1.00 45.33 H new ATOM 0 HZ3 LYS A 199 24.133 24.050 -16.906 1.00 45.33 H new ATOM 428 N PRO A 200 18.320 24.117 -12.898 1.00 22.33 N ATOM 429 CA PRO A 200 18.266 22.841 -12.207 1.00 61.21 C ATOM 430 C PRO A 200 17.655 21.789 -13.131 1.00 63.15 C ATOM 431 O PRO A 200 16.875 22.108 -14.030 1.00 70.42 O ATOM 432 CB PRO A 200 17.406 23.091 -10.965 1.00 43.42 C ATOM 433 CG PRO A 200 16.466 24.210 -11.410 1.00 75.53 C ATOM 434 CD PRO A 200 17.298 25.014 -12.397 1.00 21.14 C ATOM 0 HA PRO A 200 19.248 22.465 -11.921 1.00 61.21 H new ATOM 0 HB2 PRO A 200 16.856 22.197 -10.669 1.00 43.42 H new ATOM 0 HB3 PRO A 200 18.012 23.390 -10.110 1.00 43.42 H new ATOM 0 HG2 PRO A 200 15.565 23.813 -11.877 1.00 75.53 H new ATOM 0 HG3 PRO A 200 16.145 24.821 -10.567 1.00 75.53 H new ATOM 0 HD2 PRO A 200 16.678 25.390 -13.211 1.00 21.14 H new ATOM 0 HD3 PRO A 200 17.746 25.881 -11.911 1.00 21.14 H new ATOM 442 N LEU A 201 17.982 20.524 -12.893 1.00 44.43 N ATOM 443 CA LEU A 201 17.468 19.377 -13.630 1.00 11.42 C ATOM 444 C LEU A 201 17.683 18.145 -12.756 1.00 51.40 C ATOM 445 O LEU A 201 18.815 17.926 -12.303 1.00 54.24 O ATOM 446 CB LEU A 201 18.151 19.267 -15.015 1.00 24.05 C ATOM 447 CG LEU A 201 19.679 19.025 -15.004 1.00 44.05 C ATOM 448 CD1 LEU A 201 20.016 17.555 -15.294 1.00 42.43 C ATOM 449 CD2 LEU A 201 20.416 19.886 -16.032 1.00 3.33 C ATOM 0 H LEU A 201 18.635 20.260 -12.155 1.00 44.43 H new ATOM 0 HA LEU A 201 16.403 19.481 -13.840 1.00 11.42 H new ATOM 0 HB2 LEU A 201 17.679 18.454 -15.566 1.00 24.05 H new ATOM 0 HB3 LEU A 201 17.953 20.185 -15.569 1.00 24.05 H new ATOM 0 HG LEU A 201 20.010 19.300 -14.002 1.00 44.05 H new ATOM 0 HD11 LEU A 201 21.097 17.420 -15.279 1.00 42.43 H new ATOM 0 HD12 LEU A 201 19.560 16.920 -14.534 1.00 42.43 H new ATOM 0 HD13 LEU A 201 19.630 17.280 -16.275 1.00 42.43 H new ATOM 0 HD21 LEU A 201 21.485 19.677 -15.982 1.00 3.33 H new ATOM 0 HD22 LEU A 201 20.047 19.655 -17.031 1.00 3.33 H new ATOM 0 HD23 LEU A 201 20.242 20.940 -15.816 1.00 3.33 H new ATOM 461 N PHE A 202 16.614 17.404 -12.448 1.00 5.10 N ATOM 462 CA PHE A 202 16.607 16.147 -11.700 1.00 64.12 C ATOM 463 C PHE A 202 15.167 15.628 -11.616 1.00 52.51 C ATOM 464 O PHE A 202 14.320 16.254 -10.978 1.00 4.24 O ATOM 465 CB PHE A 202 17.122 16.366 -10.275 1.00 64.31 C ATOM 466 CG PHE A 202 17.310 15.122 -9.447 1.00 42.43 C ATOM 467 CD1 PHE A 202 16.229 14.572 -8.732 1.00 65.05 C ATOM 468 CD2 PHE A 202 18.602 14.584 -9.307 1.00 30.41 C ATOM 469 CE1 PHE A 202 16.444 13.476 -7.881 1.00 14.43 C ATOM 470 CE2 PHE A 202 18.815 13.498 -8.444 1.00 24.05 C ATOM 471 CZ PHE A 202 17.736 12.950 -7.734 1.00 35.32 C ATOM 0 H PHE A 202 15.675 17.684 -12.732 1.00 5.10 H new ATOM 0 HA PHE A 202 17.252 15.432 -12.211 1.00 64.12 H new ATOM 0 HB2 PHE A 202 18.076 16.890 -10.330 1.00 64.31 H new ATOM 0 HB3 PHE A 202 16.426 17.024 -9.755 1.00 64.31 H new ATOM 0 HD1 PHE A 202 15.239 14.991 -8.838 1.00 65.05 H new ATOM 0 HD2 PHE A 202 19.427 15.005 -9.862 1.00 30.41 H new ATOM 0 HE1 PHE A 202 15.617 13.039 -7.341 1.00 14.43 H new ATOM 0 HE2 PHE A 202 19.806 13.085 -8.327 1.00 24.05 H new ATOM 0 HZ PHE A 202 17.902 12.116 -7.068 1.00 35.32 H new ATOM 481 N SER A 203 14.888 14.473 -12.211 1.00 15.14 N ATOM 482 CA SER A 203 13.561 13.844 -12.141 1.00 33.33 C ATOM 483 C SER A 203 13.634 12.356 -12.498 1.00 3.11 C ATOM 484 O SER A 203 13.601 11.986 -13.671 1.00 43.21 O ATOM 485 CB SER A 203 12.524 14.599 -13.003 1.00 34.23 C ATOM 486 OG SER A 203 13.108 15.380 -14.034 1.00 54.15 O ATOM 0 H SER A 203 15.569 13.943 -12.755 1.00 15.14 H new ATOM 0 HA SER A 203 13.217 13.912 -11.109 1.00 33.33 H new ATOM 0 HB2 SER A 203 11.839 13.878 -13.448 1.00 34.23 H new ATOM 0 HB3 SER A 203 11.930 15.247 -12.359 1.00 34.23 H new ATOM 0 HG SER A 203 12.402 15.830 -14.543 1.00 54.15 H new ATOM 492 N ASN A 204 13.748 11.481 -11.496 1.00 33.34 N ATOM 493 CA ASN A 204 13.893 10.031 -11.675 1.00 23.22 C ATOM 494 C ASN A 204 13.109 9.225 -10.626 1.00 63.13 C ATOM 495 O ASN A 204 13.549 8.140 -10.237 1.00 34.55 O ATOM 496 CB ASN A 204 15.386 9.661 -11.660 1.00 43.13 C ATOM 497 CG ASN A 204 16.015 9.720 -10.274 1.00 52.12 C ATOM 498 OD1 ASN A 204 15.651 10.555 -9.447 1.00 12.14 O ATOM 499 ND2 ASN A 204 16.971 8.848 -10.009 1.00 65.03 N ATOM 0 H ASN A 204 13.742 11.765 -10.516 1.00 33.34 H new ATOM 0 HA ASN A 204 13.463 9.766 -12.641 1.00 23.22 H new ATOM 0 HB2 ASN A 204 15.506 8.655 -12.062 1.00 43.13 H new ATOM 0 HB3 ASN A 204 15.926 10.336 -12.324 1.00 43.13 H new ATOM 0 HD21 ASN A 204 17.429 8.855 -9.098 1.00 65.03 H new ATOM 0 HD22 ASN A 204 17.251 8.168 -10.716 1.00 65.03 H new ATOM 506 N LYS A 205 11.988 9.747 -10.104 1.00 32.23 N ATOM 507 CA LYS A 205 11.244 9.048 -9.043 1.00 5.31 C ATOM 508 C LYS A 205 9.725 9.268 -9.012 1.00 74.31 C ATOM 509 O LYS A 205 9.078 8.656 -8.162 1.00 44.22 O ATOM 510 CB LYS A 205 11.891 9.295 -7.658 1.00 4.33 C ATOM 511 CG LYS A 205 11.748 10.706 -7.063 1.00 24.12 C ATOM 512 CD LYS A 205 12.763 11.728 -7.599 1.00 43.10 C ATOM 513 CE LYS A 205 12.554 13.126 -6.998 1.00 53.42 C ATOM 514 NZ LYS A 205 12.606 13.136 -5.521 1.00 41.42 N1+ ATOM 0 H LYS A 205 11.581 10.637 -10.393 1.00 32.23 H new ATOM 0 HA LYS A 205 11.334 7.994 -9.306 1.00 5.31 H new ATOM 0 HB2 LYS A 205 11.462 8.584 -6.952 1.00 4.33 H new ATOM 0 HB3 LYS A 205 12.954 9.066 -7.735 1.00 4.33 H new ATOM 0 HG2 LYS A 205 10.741 11.072 -7.265 1.00 24.12 H new ATOM 0 HG3 LYS A 205 11.852 10.642 -5.980 1.00 24.12 H new ATOM 0 HD2 LYS A 205 13.773 11.386 -7.375 1.00 43.10 H new ATOM 0 HD3 LYS A 205 12.679 11.785 -8.684 1.00 43.10 H new ATOM 0 HE2 LYS A 205 13.317 13.800 -7.387 1.00 53.42 H new ATOM 0 HE3 LYS A 205 11.589 13.515 -7.324 1.00 53.42 H new ATOM 0 HZ1 LYS A 205 12.612 14.119 -5.180 1.00 41.42 H new ATOM 0 HZ2 LYS A 205 11.773 12.643 -5.141 1.00 41.42 H new ATOM 0 HZ3 LYS A 205 13.470 12.654 -5.201 1.00 41.42 H new ATOM 528 N ARG A 206 9.128 10.099 -9.879 1.00 72.04 N ATOM 529 CA ARG A 206 7.716 10.518 -9.784 1.00 44.22 C ATOM 530 C ARG A 206 6.908 10.137 -11.036 1.00 14.02 C ATOM 531 O ARG A 206 6.071 10.917 -11.502 1.00 71.11 O ATOM 532 CB ARG A 206 7.616 12.029 -9.489 1.00 34.22 C ATOM 533 CG ARG A 206 8.343 12.500 -8.222 1.00 44.22 C ATOM 534 CD ARG A 206 7.966 13.954 -7.904 1.00 73.05 C ATOM 535 NE ARG A 206 8.733 14.507 -6.774 1.00 44.20 N ATOM 536 CZ ARG A 206 8.444 14.376 -5.473 1.00 1.34 C ATOM 537 NH1 ARG A 206 7.356 13.733 -5.073 1.00 3.11 N1+ ATOM 538 NH2 ARG A 206 9.263 14.892 -4.567 1.00 20.34 N ATOM 0 H ARG A 206 9.616 10.506 -10.677 1.00 72.04 H new ATOM 0 HA ARG A 206 7.271 9.975 -8.950 1.00 44.22 H new ATOM 0 HB2 ARG A 206 8.017 12.576 -10.342 1.00 34.22 H new ATOM 0 HB3 ARG A 206 6.563 12.297 -9.404 1.00 34.22 H new ATOM 0 HG2 ARG A 206 8.080 11.856 -7.382 1.00 44.22 H new ATOM 0 HG3 ARG A 206 9.421 12.418 -8.361 1.00 44.22 H new ATOM 0 HD2 ARG A 206 8.134 14.570 -8.788 1.00 73.05 H new ATOM 0 HD3 ARG A 206 6.901 14.007 -7.676 1.00 73.05 H new ATOM 0 HE ARG A 206 9.569 15.044 -7.006 1.00 44.20 H new ATOM 0 HH11 ARG A 206 6.721 13.327 -5.761 1.00 3.11 H new ATOM 0 HH12 ARG A 206 7.153 13.644 -4.077 1.00 3.11 H new ATOM 0 HH21 ARG A 206 10.106 15.384 -4.863 1.00 20.34 H new ATOM 0 HH22 ARG A 206 9.050 14.797 -3.574 1.00 20.34 H new ATOM 552 N LYS A 207 7.146 8.957 -11.613 1.00 13.45 N ATOM 553 CA LYS A 207 6.306 8.401 -12.660 1.00 44.04 C ATOM 554 C LYS A 207 4.951 8.094 -12.025 1.00 62.01 C ATOM 555 O LYS A 207 4.908 7.618 -10.883 1.00 42.43 O ATOM 556 CB LYS A 207 7.017 7.159 -13.233 1.00 24.21 C ATOM 557 CG LYS A 207 6.113 6.232 -14.046 1.00 43.43 C ATOM 558 CD LYS A 207 6.885 5.066 -14.678 1.00 14.11 C ATOM 559 CE LYS A 207 7.377 4.068 -13.622 1.00 12.52 C ATOM 560 NZ LYS A 207 8.056 2.904 -14.228 1.00 13.51 N1+ ATOM 0 H LYS A 207 7.934 8.361 -11.360 1.00 13.45 H new ATOM 0 HA LYS A 207 6.140 9.082 -13.495 1.00 44.04 H new ATOM 0 HB2 LYS A 207 7.842 7.487 -13.865 1.00 24.21 H new ATOM 0 HB3 LYS A 207 7.452 6.592 -12.410 1.00 24.21 H new ATOM 0 HG2 LYS A 207 5.328 5.837 -13.401 1.00 43.43 H new ATOM 0 HG3 LYS A 207 5.621 6.806 -14.831 1.00 43.43 H new ATOM 0 HD2 LYS A 207 6.244 4.551 -15.393 1.00 14.11 H new ATOM 0 HD3 LYS A 207 7.737 5.454 -15.236 1.00 14.11 H new ATOM 0 HE2 LYS A 207 8.062 4.572 -12.940 1.00 12.52 H new ATOM 0 HE3 LYS A 207 6.531 3.724 -13.027 1.00 12.52 H new ATOM 0 HZ1 LYS A 207 8.371 2.257 -13.478 1.00 13.51 H new ATOM 0 HZ2 LYS A 207 7.396 2.407 -14.859 1.00 13.51 H new ATOM 0 HZ3 LYS A 207 8.879 3.228 -14.774 1.00 13.51 H new ATOM 574 N ILE A 208 3.871 8.318 -12.766 1.00 1.30 N ATOM 575 CA ILE A 208 2.510 7.918 -12.424 1.00 11.50 C ATOM 576 C ILE A 208 2.104 6.879 -13.477 1.00 21.22 C ATOM 577 O ILE A 208 2.722 6.815 -14.545 1.00 5.12 O ATOM 578 CB ILE A 208 1.606 9.181 -12.340 1.00 32.34 C ATOM 579 CG1 ILE A 208 2.040 10.006 -11.102 1.00 21.11 C ATOM 580 CG2 ILE A 208 0.096 8.880 -12.266 1.00 34.12 C ATOM 581 CD1 ILE A 208 1.210 11.261 -10.810 1.00 64.43 C ATOM 0 H ILE A 208 3.922 8.805 -13.661 1.00 1.30 H new ATOM 0 HA ILE A 208 2.412 7.455 -11.442 1.00 11.50 H new ATOM 0 HB ILE A 208 1.744 9.737 -13.268 1.00 32.34 H new ATOM 0 HG12 ILE A 208 2.003 9.358 -10.226 1.00 21.11 H new ATOM 0 HG13 ILE A 208 3.080 10.304 -11.235 1.00 21.11 H new ATOM 0 HG21 ILE A 208 -0.459 9.816 -12.210 1.00 34.12 H new ATOM 0 HG22 ILE A 208 -0.209 8.330 -13.156 1.00 34.12 H new ATOM 0 HG23 ILE A 208 -0.113 8.281 -11.380 1.00 34.12 H new ATOM 0 HD11 ILE A 208 1.603 11.759 -9.923 1.00 64.43 H new ATOM 0 HD12 ILE A 208 1.265 11.940 -11.661 1.00 64.43 H new ATOM 0 HD13 ILE A 208 0.172 10.978 -10.637 1.00 64.43 H new ATOM 593 N HIS A 209 1.120 6.034 -13.167 1.00 41.32 N ATOM 594 CA HIS A 209 0.758 4.887 -13.987 1.00 63.01 C ATOM 595 C HIS A 209 -0.610 5.095 -14.633 1.00 55.52 C ATOM 596 O HIS A 209 -1.525 5.633 -14.004 1.00 14.34 O ATOM 597 CB HIS A 209 0.767 3.634 -13.101 1.00 3.24 C ATOM 598 CG HIS A 209 1.020 2.364 -13.865 1.00 14.44 C ATOM 599 ND1 HIS A 209 2.100 2.123 -14.681 1.00 43.42 N ATOM 600 CD2 HIS A 209 0.268 1.223 -13.835 1.00 41.34 C ATOM 601 CE1 HIS A 209 2.007 0.863 -15.129 1.00 35.43 C ATOM 602 NE2 HIS A 209 0.923 0.268 -14.609 1.00 2.45 N ATOM 0 H HIS A 209 0.548 6.132 -12.328 1.00 41.32 H new ATOM 0 HA HIS A 209 1.480 4.766 -14.795 1.00 63.01 H new ATOM 0 HB2 HIS A 209 1.533 3.746 -12.334 1.00 3.24 H new ATOM 0 HB3 HIS A 209 -0.191 3.555 -12.586 1.00 3.24 H new ATOM 0 HD2 HIS A 209 -0.664 1.087 -13.307 1.00 41.34 H new ATOM 0 HE1 HIS A 209 2.703 0.395 -15.809 1.00 35.43 H new ATOM 0 HE2 HIS A 209 0.634 -0.699 -14.753 1.00 2.45 H new ATOM 610 N LEU A 210 -0.789 4.577 -15.850 1.00 24.30 N ATOM 611 CA LEU A 210 -1.981 4.802 -16.672 1.00 74.33 C ATOM 612 C LEU A 210 -3.272 4.205 -16.096 1.00 64.15 C ATOM 613 O LEU A 210 -4.344 4.451 -16.641 1.00 4.22 O ATOM 614 CB LEU A 210 -1.754 4.269 -18.104 1.00 35.43 C ATOM 615 CG LEU A 210 -1.826 5.360 -19.190 1.00 23.31 C ATOM 616 CD1 LEU A 210 -3.153 6.126 -19.202 1.00 42.23 C ATOM 617 CD2 LEU A 210 -0.665 6.344 -19.057 1.00 61.45 C ATOM 0 H LEU A 210 -0.097 3.978 -16.301 1.00 24.30 H new ATOM 0 HA LEU A 210 -2.126 5.882 -16.683 1.00 74.33 H new ATOM 0 HB2 LEU A 210 -0.778 3.785 -18.152 1.00 35.43 H new ATOM 0 HB3 LEU A 210 -2.500 3.504 -18.320 1.00 35.43 H new ATOM 0 HG LEU A 210 -1.754 4.831 -20.140 1.00 23.31 H new ATOM 0 HD11 LEU A 210 -3.132 6.877 -19.991 1.00 42.23 H new ATOM 0 HD12 LEU A 210 -3.973 5.431 -19.384 1.00 42.23 H new ATOM 0 HD13 LEU A 210 -3.299 6.615 -18.239 1.00 42.23 H new ATOM 0 HD21 LEU A 210 -0.740 7.103 -19.836 1.00 61.45 H new ATOM 0 HD22 LEU A 210 -0.704 6.823 -18.079 1.00 61.45 H new ATOM 0 HD23 LEU A 210 0.279 5.809 -19.162 1.00 61.45 H new ATOM 629 N SER A 211 -3.197 3.453 -14.996 1.00 3.02 N ATOM 630 CA SER A 211 -4.375 2.958 -14.290 1.00 64.31 C ATOM 631 C SER A 211 -4.333 3.216 -12.776 1.00 54.04 C ATOM 632 O SER A 211 -5.359 3.020 -12.133 1.00 2.11 O ATOM 633 CB SER A 211 -4.533 1.465 -14.600 1.00 73.53 C ATOM 634 OG SER A 211 -5.867 1.139 -14.929 1.00 23.32 O ATOM 0 H SER A 211 -2.314 3.171 -14.571 1.00 3.02 H new ATOM 0 HA SER A 211 -5.243 3.512 -14.646 1.00 64.31 H new ATOM 0 HB2 SER A 211 -3.877 1.194 -15.427 1.00 73.53 H new ATOM 0 HB3 SER A 211 -4.217 0.879 -13.737 1.00 73.53 H new ATOM 0 HG SER A 211 -5.931 0.180 -15.122 1.00 23.32 H new ATOM 640 N GLU A 212 -3.197 3.663 -12.217 1.00 61.43 N ATOM 641 CA GLU A 212 -3.014 4.048 -10.812 1.00 71.32 C ATOM 642 C GLU A 212 -3.646 3.076 -9.795 1.00 51.54 C ATOM 643 O GLU A 212 -4.616 3.408 -9.116 1.00 40.14 O ATOM 644 CB GLU A 212 -3.369 5.529 -10.585 1.00 52.21 C ATOM 645 CG GLU A 212 -4.781 5.946 -11.024 1.00 41.53 C ATOM 646 CD GLU A 212 -5.053 7.431 -10.815 1.00 31.35 C ATOM 647 OE1 GLU A 212 -4.276 8.270 -11.331 1.00 24.25 O1- ATOM 648 OE2 GLU A 212 -6.070 7.783 -10.180 1.00 43.43 O ATOM 0 H GLU A 212 -2.341 3.770 -12.761 1.00 61.43 H new ATOM 0 HA GLU A 212 -1.949 3.951 -10.603 1.00 71.32 H new ATOM 0 HB2 GLU A 212 -3.256 5.753 -9.524 1.00 52.21 H new ATOM 0 HB3 GLU A 212 -2.645 6.144 -11.119 1.00 52.21 H new ATOM 0 HG2 GLU A 212 -4.915 5.702 -12.078 1.00 41.53 H new ATOM 0 HG3 GLU A 212 -5.516 5.365 -10.466 1.00 41.53 H new ATOM 655 N LEU A 213 -3.037 1.893 -9.624 1.00 24.44 N ATOM 656 CA LEU A 213 -3.581 0.755 -8.855 1.00 44.23 C ATOM 657 C LEU A 213 -4.890 0.295 -9.524 1.00 32.50 C ATOM 658 O LEU A 213 -5.018 0.482 -10.732 1.00 52.31 O ATOM 659 CB LEU A 213 -3.678 1.059 -7.346 1.00 53.53 C ATOM 660 CG LEU A 213 -2.517 1.878 -6.745 1.00 40.33 C ATOM 661 CD1 LEU A 213 -2.739 2.047 -5.243 1.00 1.01 C ATOM 662 CD2 LEU A 213 -1.147 1.227 -6.952 1.00 32.21 C ATOM 0 H LEU A 213 -2.123 1.692 -10.029 1.00 24.44 H new ATOM 0 HA LEU A 213 -2.893 -0.090 -8.885 1.00 44.23 H new ATOM 0 HB2 LEU A 213 -4.608 1.597 -7.163 1.00 53.53 H new ATOM 0 HB3 LEU A 213 -3.745 0.113 -6.809 1.00 53.53 H new ATOM 0 HG LEU A 213 -2.514 2.836 -7.264 1.00 40.33 H new ATOM 0 HD11 LEU A 213 -1.919 2.626 -4.817 1.00 1.01 H new ATOM 0 HD12 LEU A 213 -3.680 2.570 -5.071 1.00 1.01 H new ATOM 0 HD13 LEU A 213 -2.776 1.067 -4.768 1.00 1.01 H new ATOM 0 HD21 LEU A 213 -0.375 1.854 -6.506 1.00 32.21 H new ATOM 0 HD22 LEU A 213 -1.135 0.245 -6.479 1.00 32.21 H new ATOM 0 HD23 LEU A 213 -0.954 1.118 -8.019 1.00 32.21 H new ATOM 674 N MET A 214 -5.790 -0.408 -8.824 1.00 0.24 N ATOM 675 CA MET A 214 -7.093 -0.840 -9.340 1.00 32.05 C ATOM 676 C MET A 214 -8.090 -1.025 -8.180 1.00 23.33 C ATOM 677 O MET A 214 -8.090 -2.076 -7.550 1.00 53.34 O ATOM 678 CB MET A 214 -7.016 -2.105 -10.238 1.00 13.22 C ATOM 679 CG MET A 214 -6.798 -1.890 -11.736 1.00 41.51 C ATOM 680 SD MET A 214 -6.539 -3.456 -12.624 1.00 21.51 S ATOM 681 CE MET A 214 -8.016 -3.494 -13.673 1.00 63.42 C ATOM 0 H MET A 214 -5.627 -0.698 -7.860 1.00 0.24 H new ATOM 0 HA MET A 214 -7.454 -0.046 -9.993 1.00 32.05 H new ATOM 0 HB2 MET A 214 -6.207 -2.734 -9.866 1.00 13.22 H new ATOM 0 HB3 MET A 214 -7.941 -2.667 -10.109 1.00 13.22 H new ATOM 0 HG2 MET A 214 -7.661 -1.374 -12.157 1.00 41.51 H new ATOM 0 HG3 MET A 214 -5.935 -1.242 -11.887 1.00 41.51 H new ATOM 0 HE1 MET A 214 -8.006 -4.398 -14.282 1.00 63.42 H new ATOM 0 HE2 MET A 214 -8.908 -3.488 -13.046 1.00 63.42 H new ATOM 0 HE3 MET A 214 -8.024 -2.619 -14.322 1.00 63.42 H new ATOM 691 N LEU A 215 -8.946 -0.047 -7.853 1.00 34.21 N ATOM 692 CA LEU A 215 -9.988 -0.228 -6.832 1.00 73.12 C ATOM 693 C LEU A 215 -11.313 0.352 -7.250 1.00 63.53 C ATOM 694 O LEU A 215 -11.426 1.523 -7.610 1.00 4.22 O ATOM 695 CB LEU A 215 -9.564 0.319 -5.467 1.00 11.32 C ATOM 696 CG LEU A 215 -10.599 0.271 -4.322 1.00 5.51 C ATOM 697 CD1 LEU A 215 -9.846 0.308 -2.984 1.00 20.01 C ATOM 698 CD2 LEU A 215 -11.590 1.436 -4.255 1.00 75.40 C ATOM 0 H LEU A 215 -8.937 0.879 -8.281 1.00 34.21 H new ATOM 0 HA LEU A 215 -10.120 -1.305 -6.732 1.00 73.12 H new ATOM 0 HB2 LEU A 215 -8.681 -0.232 -5.144 1.00 11.32 H new ATOM 0 HB3 LEU A 215 -9.260 1.357 -5.601 1.00 11.32 H new ATOM 0 HG LEU A 215 -11.170 -0.637 -4.515 1.00 5.51 H new ATOM 0 HD11 LEU A 215 -10.562 0.275 -2.163 1.00 20.01 H new ATOM 0 HD12 LEU A 215 -9.178 -0.551 -2.918 1.00 20.01 H new ATOM 0 HD13 LEU A 215 -9.263 1.227 -2.920 1.00 20.01 H new ATOM 0 HD21 LEU A 215 -12.265 1.291 -3.412 1.00 75.40 H new ATOM 0 HD22 LEU A 215 -11.044 2.371 -4.127 1.00 75.40 H new ATOM 0 HD23 LEU A 215 -12.167 1.476 -5.179 1.00 75.40 H new ATOM 710 N GLU A 216 -12.321 -0.488 -7.059 1.00 42.34 N ATOM 711 CA GLU A 216 -13.719 -0.170 -7.311 1.00 21.22 C ATOM 712 C GLU A 216 -14.646 -0.481 -6.140 1.00 61.20 C ATOM 713 O GLU A 216 -15.833 -0.164 -6.207 1.00 11.33 O ATOM 714 CB GLU A 216 -14.199 -0.854 -8.607 1.00 25.21 C ATOM 715 CG GLU A 216 -13.642 -0.216 -9.891 1.00 54.02 C ATOM 716 CD GLU A 216 -14.686 0.662 -10.581 1.00 1.13 C ATOM 717 OE1 GLU A 216 -15.458 0.146 -11.412 1.00 44.35 O1- ATOM 718 OE2 GLU A 216 -14.763 1.882 -10.287 1.00 13.22 O ATOM 0 H GLU A 216 -12.184 -1.438 -6.714 1.00 42.34 H new ATOM 0 HA GLU A 216 -13.771 0.912 -7.436 1.00 21.22 H new ATOM 0 HB2 GLU A 216 -13.910 -1.905 -8.580 1.00 25.21 H new ATOM 0 HB3 GLU A 216 -15.288 -0.823 -8.641 1.00 25.21 H new ATOM 0 HG2 GLU A 216 -12.764 0.383 -9.649 1.00 54.02 H new ATOM 0 HG3 GLU A 216 -13.315 -0.999 -10.575 1.00 54.02 H new ATOM 725 N LYS A 217 -14.126 -1.072 -5.064 1.00 71.23 N ATOM 726 CA LYS A 217 -14.822 -1.387 -3.823 1.00 24.12 C ATOM 727 C LYS A 217 -13.828 -1.992 -2.845 1.00 41.53 C ATOM 728 O LYS A 217 -12.737 -2.429 -3.230 1.00 65.12 O ATOM 729 CB LYS A 217 -16.012 -2.348 -4.075 1.00 63.53 C ATOM 730 CG LYS A 217 -17.302 -1.596 -3.732 1.00 33.31 C ATOM 731 CD LYS A 217 -18.605 -2.291 -4.149 1.00 21.23 C ATOM 732 CE LYS A 217 -19.685 -1.243 -4.484 1.00 11.23 C ATOM 733 NZ LYS A 217 -19.956 -0.277 -3.389 1.00 34.23 N1+ ATOM 0 H LYS A 217 -13.148 -1.360 -5.037 1.00 71.23 H new ATOM 0 HA LYS A 217 -15.237 -0.472 -3.400 1.00 24.12 H new ATOM 0 HB2 LYS A 217 -16.025 -2.675 -5.115 1.00 63.53 H new ATOM 0 HB3 LYS A 217 -15.917 -3.243 -3.461 1.00 63.53 H new ATOM 0 HG2 LYS A 217 -17.329 -1.429 -2.655 1.00 33.31 H new ATOM 0 HG3 LYS A 217 -17.267 -0.615 -4.206 1.00 33.31 H new ATOM 0 HD2 LYS A 217 -18.425 -2.928 -5.015 1.00 21.23 H new ATOM 0 HD3 LYS A 217 -18.954 -2.939 -3.345 1.00 21.23 H new ATOM 0 HE2 LYS A 217 -19.377 -0.691 -5.372 1.00 11.23 H new ATOM 0 HE3 LYS A 217 -20.611 -1.760 -4.735 1.00 11.23 H new ATOM 0 HZ1 LYS A 217 -20.760 0.328 -3.651 1.00 34.23 H new ATOM 0 HZ2 LYS A 217 -20.183 -0.796 -2.517 1.00 34.23 H new ATOM 0 HZ3 LYS A 217 -19.115 0.314 -3.232 1.00 34.23 H new ATOM 747 N CYS A 218 -14.214 -2.035 -1.573 1.00 72.34 N ATOM 748 CA CYS A 218 -13.463 -2.704 -0.531 1.00 52.25 C ATOM 749 C CYS A 218 -14.451 -3.044 0.596 1.00 53.24 C ATOM 750 O CYS A 218 -14.638 -2.231 1.499 1.00 3.44 O ATOM 751 CB CYS A 218 -12.306 -1.788 -0.105 1.00 41.44 C ATOM 752 SG CYS A 218 -10.851 -2.808 0.210 1.00 24.22 S ATOM 0 H CYS A 218 -15.072 -1.597 -1.238 1.00 72.34 H new ATOM 0 HA CYS A 218 -13.007 -3.639 -0.856 1.00 52.25 H new ATOM 0 HB2 CYS A 218 -12.094 -1.058 -0.886 1.00 41.44 H new ATOM 0 HB3 CYS A 218 -12.577 -1.228 0.790 1.00 41.44 H new ATOM 0 HG CYS A 218 -11.218 -3.934 0.746 1.00 24.22 H new ATOM 758 N PRO A 219 -15.189 -4.165 0.497 1.00 2.24 N ATOM 759 CA PRO A 219 -16.290 -4.466 1.412 1.00 23.03 C ATOM 760 C PRO A 219 -15.831 -5.094 2.735 1.00 53.55 C ATOM 761 O PRO A 219 -16.610 -5.143 3.680 1.00 51.44 O ATOM 762 CB PRO A 219 -17.185 -5.439 0.638 1.00 13.32 C ATOM 763 CG PRO A 219 -16.187 -6.207 -0.228 1.00 34.20 C ATOM 764 CD PRO A 219 -15.149 -5.142 -0.584 1.00 63.34 C ATOM 0 HA PRO A 219 -16.801 -3.549 1.706 1.00 23.03 H new ATOM 0 HB2 PRO A 219 -17.734 -6.102 1.307 1.00 13.32 H new ATOM 0 HB3 PRO A 219 -17.924 -4.914 0.033 1.00 13.32 H new ATOM 0 HG2 PRO A 219 -15.740 -7.041 0.314 1.00 34.20 H new ATOM 0 HG3 PRO A 219 -16.661 -6.622 -1.118 1.00 34.20 H new ATOM 0 HD2 PRO A 219 -14.156 -5.581 -0.677 1.00 63.34 H new ATOM 0 HD3 PRO A 219 -15.382 -4.675 -1.541 1.00 63.34 H new ATOM 772 N PHE A 220 -14.608 -5.624 2.816 1.00 52.33 N ATOM 773 CA PHE A 220 -14.068 -6.172 4.052 1.00 13.33 C ATOM 774 C PHE A 220 -13.593 -5.031 4.956 1.00 31.11 C ATOM 775 O PHE A 220 -13.101 -4.014 4.450 1.00 61.21 O ATOM 776 CB PHE A 220 -12.904 -7.136 3.820 1.00 12.53 C ATOM 777 CG PHE A 220 -12.186 -6.896 2.531 1.00 53.04 C ATOM 778 CD1 PHE A 220 -12.685 -7.523 1.389 1.00 43.24 C ATOM 779 CD2 PHE A 220 -11.114 -5.994 2.460 1.00 11.32 C ATOM 780 CE1 PHE A 220 -12.049 -7.320 0.155 1.00 24.41 C ATOM 781 CE2 PHE A 220 -10.446 -5.823 1.241 1.00 35.04 C ATOM 782 CZ PHE A 220 -10.912 -6.488 0.095 1.00 24.35 C ATOM 0 H PHE A 220 -13.968 -5.683 2.024 1.00 52.33 H new ATOM 0 HA PHE A 220 -14.873 -6.736 4.523 1.00 13.33 H new ATOM 0 HB2 PHE A 220 -12.197 -7.046 4.644 1.00 12.53 H new ATOM 0 HB3 PHE A 220 -13.280 -8.159 3.833 1.00 12.53 H new ATOM 0 HD1 PHE A 220 -13.555 -8.160 1.454 1.00 43.24 H new ATOM 0 HD2 PHE A 220 -10.808 -5.439 3.334 1.00 11.32 H new ATOM 0 HE1 PHE A 220 -12.426 -7.795 -0.739 1.00 24.41 H new ATOM 0 HE2 PHE A 220 -9.578 -5.184 1.183 1.00 35.04 H new ATOM 0 HZ PHE A 220 -10.393 -6.361 -0.844 1.00 24.35 H new ATOM 792 N PRO A 221 -13.587 -5.247 6.278 1.00 52.42 N ATOM 793 CA PRO A 221 -12.777 -4.447 7.172 1.00 64.02 C ATOM 794 C PRO A 221 -11.303 -4.755 6.878 1.00 52.52 C ATOM 795 O PRO A 221 -10.931 -5.901 6.601 1.00 61.24 O ATOM 796 CB PRO A 221 -13.195 -4.877 8.578 1.00 3.32 C ATOM 797 CG PRO A 221 -13.586 -6.344 8.400 1.00 31.34 C ATOM 798 CD PRO A 221 -14.070 -6.442 6.951 1.00 13.23 C ATOM 0 HA PRO A 221 -12.910 -3.371 7.057 1.00 64.02 H new ATOM 0 HB2 PRO A 221 -12.379 -4.763 9.292 1.00 3.32 H new ATOM 0 HB3 PRO A 221 -14.029 -4.281 8.949 1.00 3.32 H new ATOM 0 HG2 PRO A 221 -12.738 -7.005 8.580 1.00 31.34 H new ATOM 0 HG3 PRO A 221 -14.370 -6.633 9.100 1.00 31.34 H new ATOM 0 HD2 PRO A 221 -13.683 -7.341 6.472 1.00 13.23 H new ATOM 0 HD3 PRO A 221 -15.158 -6.500 6.907 1.00 13.23 H new ATOM 806 N ALA A 222 -10.453 -3.734 6.941 1.00 15.10 N ATOM 807 CA ALA A 222 -9.016 -3.935 6.848 1.00 33.50 C ATOM 808 C ALA A 222 -8.579 -4.791 8.035 1.00 45.31 C ATOM 809 O ALA A 222 -8.971 -4.511 9.172 1.00 5.14 O ATOM 810 CB ALA A 222 -8.298 -2.584 6.820 1.00 54.51 C ATOM 0 H ALA A 222 -10.737 -2.761 7.056 1.00 15.10 H new ATOM 0 HA ALA A 222 -8.755 -4.452 5.925 1.00 33.50 H new ATOM 0 HB1 ALA A 222 -7.222 -2.745 6.750 1.00 54.51 H new ATOM 0 HB2 ALA A 222 -8.636 -2.010 5.957 1.00 54.51 H new ATOM 0 HB3 ALA A 222 -8.524 -2.033 7.733 1.00 54.51 H new ATOM 816 N GLY A 223 -7.789 -5.828 7.756 1.00 72.54 N ATOM 817 CA GLY A 223 -7.147 -6.687 8.745 1.00 54.34 C ATOM 818 C GLY A 223 -7.493 -8.163 8.564 1.00 13.20 C ATOM 819 O GLY A 223 -6.672 -9.017 8.892 1.00 13.51 O ATOM 0 H GLY A 223 -7.572 -6.101 6.798 1.00 72.54 H new ATOM 0 HA2 GLY A 223 -6.066 -6.562 8.681 1.00 54.34 H new ATOM 0 HA3 GLY A 223 -7.446 -6.369 9.744 1.00 54.34 H new ATOM 823 N SER A 224 -8.674 -8.492 8.031 1.00 12.10 N ATOM 824 CA SER A 224 -9.050 -9.881 7.783 1.00 32.34 C ATOM 825 C SER A 224 -8.133 -10.495 6.719 1.00 62.33 C ATOM 826 O SER A 224 -7.726 -9.812 5.781 1.00 52.54 O ATOM 827 CB SER A 224 -10.511 -9.932 7.341 1.00 2.20 C ATOM 828 OG SER A 224 -11.351 -9.260 8.262 1.00 61.34 O ATOM 0 H SER A 224 -9.385 -7.811 7.764 1.00 12.10 H new ATOM 0 HA SER A 224 -8.937 -10.463 8.698 1.00 32.34 H new ATOM 0 HB2 SER A 224 -10.611 -9.477 6.355 1.00 2.20 H new ATOM 0 HB3 SER A 224 -10.829 -10.970 7.247 1.00 2.20 H new ATOM 0 HG SER A 224 -12.280 -9.307 7.953 1.00 61.34 H new ATOM 834 N ASP A 225 -7.863 -11.802 6.784 1.00 61.25 N ATOM 835 CA ASP A 225 -7.053 -12.460 5.748 1.00 53.22 C ATOM 836 C ASP A 225 -7.730 -12.427 4.376 1.00 11.51 C ATOM 837 O ASP A 225 -7.069 -12.374 3.337 1.00 20.21 O ATOM 838 CB ASP A 225 -6.772 -13.914 6.113 1.00 65.42 C ATOM 839 CG ASP A 225 -5.690 -14.455 5.188 1.00 1.12 C ATOM 840 OD1 ASP A 225 -4.598 -13.843 5.120 1.00 54.24 O1- ATOM 841 OD2 ASP A 225 -5.933 -15.460 4.486 1.00 40.32 O ATOM 0 H ASP A 225 -8.186 -12.419 7.529 1.00 61.25 H new ATOM 0 HA ASP A 225 -6.119 -11.901 5.693 1.00 53.22 H new ATOM 0 HB2 ASP A 225 -6.450 -13.986 7.152 1.00 65.42 H new ATOM 0 HB3 ASP A 225 -7.681 -14.509 6.018 1.00 65.42 H new ATOM 846 N LEU A 226 -9.068 -12.391 4.372 1.00 65.13 N ATOM 847 CA LEU A 226 -9.840 -12.225 3.150 1.00 13.44 C ATOM 848 C LEU A 226 -9.487 -10.899 2.479 1.00 72.23 C ATOM 849 O LEU A 226 -9.366 -10.859 1.257 1.00 44.25 O ATOM 850 CB LEU A 226 -11.354 -12.256 3.425 1.00 21.33 C ATOM 851 CG LEU A 226 -11.919 -13.623 3.850 1.00 42.04 C ATOM 852 CD1 LEU A 226 -13.403 -13.453 4.193 1.00 2.14 C ATOM 853 CD2 LEU A 226 -11.774 -14.689 2.755 1.00 31.03 C ATOM 0 H LEU A 226 -9.637 -12.476 5.214 1.00 65.13 H new ATOM 0 HA LEU A 226 -9.588 -13.057 2.493 1.00 13.44 H new ATOM 0 HB2 LEU A 226 -11.579 -11.530 4.206 1.00 21.33 H new ATOM 0 HB3 LEU A 226 -11.876 -11.929 2.526 1.00 21.33 H new ATOM 0 HG LEU A 226 -11.348 -13.966 4.713 1.00 42.04 H new ATOM 0 HD11 LEU A 226 -13.819 -14.414 4.496 1.00 2.14 H new ATOM 0 HD12 LEU A 226 -13.508 -12.738 5.009 1.00 2.14 H new ATOM 0 HD13 LEU A 226 -13.939 -13.086 3.318 1.00 2.14 H new ATOM 0 HD21 LEU A 226 -12.189 -15.633 3.109 1.00 31.03 H new ATOM 0 HD22 LEU A 226 -12.311 -14.369 1.862 1.00 31.03 H new ATOM 0 HD23 LEU A 226 -10.719 -14.823 2.516 1.00 31.03 H new ATOM 865 N ALA A 227 -9.300 -9.830 3.268 1.00 33.13 N ATOM 866 CA ALA A 227 -8.886 -8.533 2.756 1.00 31.51 C ATOM 867 C ALA A 227 -7.549 -8.671 2.030 1.00 61.32 C ATOM 868 O ALA A 227 -7.387 -8.171 0.916 1.00 1.22 O ATOM 869 CB ALA A 227 -8.764 -7.503 3.891 1.00 20.11 C ATOM 0 H ALA A 227 -9.434 -9.850 4.279 1.00 33.13 H new ATOM 0 HA ALA A 227 -9.646 -8.179 2.059 1.00 31.51 H new ATOM 0 HB1 ALA A 227 -8.453 -6.543 3.479 1.00 20.11 H new ATOM 0 HB2 ALA A 227 -9.729 -7.390 4.385 1.00 20.11 H new ATOM 0 HB3 ALA A 227 -8.023 -7.844 4.614 1.00 20.11 H new ATOM 875 N GLN A 228 -6.602 -9.375 2.659 1.00 2.11 N ATOM 876 CA GLN A 228 -5.282 -9.628 2.104 1.00 62.54 C ATOM 877 C GLN A 228 -5.413 -10.341 0.757 1.00 60.13 C ATOM 878 O GLN A 228 -4.923 -9.830 -0.247 1.00 43.54 O ATOM 879 CB GLN A 228 -4.380 -10.384 3.094 1.00 74.33 C ATOM 880 CG GLN A 228 -4.196 -9.605 4.407 1.00 13.33 C ATOM 881 CD GLN A 228 -3.133 -10.249 5.293 1.00 64.54 C ATOM 882 OE1 GLN A 228 -1.950 -10.228 4.974 1.00 5.12 O ATOM 883 NE2 GLN A 228 -3.497 -10.774 6.452 1.00 5.01 N ATOM 0 H GLN A 228 -6.740 -9.788 3.581 1.00 2.11 H new ATOM 0 HA GLN A 228 -4.786 -8.673 1.928 1.00 62.54 H new ATOM 0 HB2 GLN A 228 -4.814 -11.361 3.308 1.00 74.33 H new ATOM 0 HB3 GLN A 228 -3.407 -10.561 2.637 1.00 74.33 H new ATOM 0 HG2 GLN A 228 -3.912 -8.576 4.185 1.00 13.33 H new ATOM 0 HG3 GLN A 228 -5.144 -9.565 4.944 1.00 13.33 H new ATOM 0 HE21 GLN A 228 -4.482 -10.791 6.717 1.00 5.01 H new ATOM 0 HE22 GLN A 228 -2.793 -11.161 7.080 1.00 5.01 H new ATOM 892 N LYS A 229 -6.089 -11.496 0.710 1.00 14.24 N ATOM 893 CA LYS A 229 -6.186 -12.271 -0.531 1.00 61.11 C ATOM 894 C LYS A 229 -6.922 -11.507 -1.632 1.00 50.14 C ATOM 895 O LYS A 229 -6.493 -11.557 -2.778 1.00 20.33 O ATOM 896 CB LYS A 229 -6.844 -13.648 -0.296 1.00 43.15 C ATOM 897 CG LYS A 229 -5.862 -14.822 -0.486 1.00 65.30 C ATOM 898 CD LYS A 229 -5.275 -15.389 0.814 1.00 2.11 C ATOM 899 CE LYS A 229 -4.456 -14.366 1.605 1.00 22.04 C ATOM 900 NZ LYS A 229 -3.873 -14.979 2.813 1.00 4.21 N1+ ATOM 0 H LYS A 229 -6.571 -11.910 1.508 1.00 14.24 H new ATOM 0 HA LYS A 229 -5.163 -12.437 -0.869 1.00 61.11 H new ATOM 0 HB2 LYS A 229 -7.253 -13.682 0.714 1.00 43.15 H new ATOM 0 HB3 LYS A 229 -7.682 -13.767 -0.983 1.00 43.15 H new ATOM 0 HG2 LYS A 229 -6.375 -15.624 -1.016 1.00 65.30 H new ATOM 0 HG3 LYS A 229 -5.042 -14.492 -1.124 1.00 65.30 H new ATOM 0 HD2 LYS A 229 -6.087 -15.757 1.441 1.00 2.11 H new ATOM 0 HD3 LYS A 229 -4.643 -16.245 0.576 1.00 2.11 H new ATOM 0 HE2 LYS A 229 -3.661 -13.966 0.976 1.00 22.04 H new ATOM 0 HE3 LYS A 229 -5.091 -13.527 1.889 1.00 22.04 H new ATOM 0 HZ1 LYS A 229 -3.668 -14.238 3.514 1.00 4.21 H new ATOM 0 HZ2 LYS A 229 -4.547 -15.660 3.217 1.00 4.21 H new ATOM 0 HZ3 LYS A 229 -2.992 -15.471 2.562 1.00 4.21 H new ATOM 914 N TRP A 230 -8.041 -10.848 -1.326 1.00 13.20 N ATOM 915 CA TRP A 230 -8.868 -10.241 -2.363 1.00 72.33 C ATOM 916 C TRP A 230 -8.162 -9.021 -2.961 1.00 31.00 C ATOM 917 O TRP A 230 -8.097 -8.877 -4.180 1.00 23.12 O ATOM 918 CB TRP A 230 -10.243 -9.892 -1.782 1.00 34.15 C ATOM 919 CG TRP A 230 -11.371 -9.764 -2.760 1.00 61.20 C ATOM 920 CD1 TRP A 230 -12.140 -10.782 -3.211 1.00 14.12 C ATOM 921 CD2 TRP A 230 -11.928 -8.559 -3.359 1.00 53.24 C ATOM 922 NE1 TRP A 230 -13.142 -10.285 -4.022 1.00 24.03 N ATOM 923 CE2 TRP A 230 -13.088 -8.910 -4.107 1.00 13.24 C ATOM 924 CE3 TRP A 230 -11.578 -7.197 -3.311 1.00 35.03 C ATOM 925 CZ2 TRP A 230 -13.890 -7.945 -4.735 1.00 2.33 C ATOM 926 CZ3 TRP A 230 -12.394 -6.214 -3.903 1.00 33.44 C ATOM 927 CH2 TRP A 230 -13.546 -6.588 -4.619 1.00 4.35 C ATOM 0 H TRP A 230 -8.391 -10.723 -0.376 1.00 13.20 H new ATOM 0 HA TRP A 230 -9.021 -10.949 -3.177 1.00 72.33 H new ATOM 0 HB2 TRP A 230 -10.509 -10.657 -1.053 1.00 34.15 H new ATOM 0 HB3 TRP A 230 -10.155 -8.951 -1.239 1.00 34.15 H new ATOM 0 HD1 TRP A 230 -11.993 -11.825 -2.973 1.00 14.12 H new ATOM 0 HE1 TRP A 230 -13.835 -10.863 -4.498 1.00 24.03 H new ATOM 0 HE3 TRP A 230 -10.668 -6.900 -2.811 1.00 35.03 H new ATOM 0 HZ2 TRP A 230 -14.761 -8.242 -5.301 1.00 2.33 H new ATOM 0 HZ3 TRP A 230 -12.135 -5.170 -3.807 1.00 33.44 H new ATOM 0 HH2 TRP A 230 -14.165 -5.832 -5.079 1.00 4.35 H new ATOM 938 N HIS A 231 -7.621 -8.129 -2.122 1.00 41.52 N ATOM 939 CA HIS A 231 -6.965 -6.913 -2.601 1.00 44.11 C ATOM 940 C HIS A 231 -5.762 -7.203 -3.503 1.00 62.42 C ATOM 941 O HIS A 231 -5.513 -6.415 -4.414 1.00 2.10 O ATOM 942 CB HIS A 231 -6.673 -5.952 -1.454 1.00 73.30 C ATOM 943 CG HIS A 231 -5.291 -6.087 -0.910 1.00 1.23 C ATOM 944 ND1 HIS A 231 -4.904 -6.797 0.191 1.00 54.43 N ATOM 945 CD2 HIS A 231 -4.186 -5.568 -1.505 1.00 54.44 C ATOM 946 CE1 HIS A 231 -3.565 -6.720 0.264 1.00 44.02 C ATOM 947 NE2 HIS A 231 -3.084 -5.938 -0.722 1.00 72.12 N ATOM 0 H HIS A 231 -7.626 -8.230 -1.107 1.00 41.52 H new ATOM 0 HA HIS A 231 -7.667 -6.394 -3.253 1.00 44.11 H new ATOM 0 HB2 HIS A 231 -6.822 -4.929 -1.799 1.00 73.30 H new ATOM 0 HB3 HIS A 231 -7.390 -6.125 -0.652 1.00 73.30 H new ATOM 0 HD2 HIS A 231 -4.161 -4.981 -2.411 1.00 54.44 H new ATOM 0 HE1 HIS A 231 -2.959 -7.215 1.008 1.00 44.02 H new ATOM 0 HE2 HIS A 231 -2.111 -5.669 -0.869 1.00 72.12 H new ATOM 955 N LEU A 232 -5.083 -8.331 -3.280 1.00 43.21 N ATOM 956 CA LEU A 232 -3.930 -8.815 -4.043 1.00 54.14 C ATOM 957 C LEU A 232 -4.202 -8.903 -5.552 1.00 63.01 C ATOM 958 O LEU A 232 -3.281 -8.735 -6.349 1.00 33.14 O ATOM 959 CB LEU A 232 -3.555 -10.205 -3.500 1.00 63.34 C ATOM 960 CG LEU A 232 -2.198 -10.765 -3.960 1.00 62.14 C ATOM 961 CD1 LEU A 232 -1.039 -10.019 -3.294 1.00 23.25 C ATOM 962 CD2 LEU A 232 -2.121 -12.251 -3.583 1.00 64.32 C ATOM 0 H LEU A 232 -5.336 -8.965 -2.522 1.00 43.21 H new ATOM 0 HA LEU A 232 -3.115 -8.102 -3.920 1.00 54.14 H new ATOM 0 HB2 LEU A 232 -3.557 -10.160 -2.411 1.00 63.34 H new ATOM 0 HB3 LEU A 232 -4.334 -10.909 -3.792 1.00 63.34 H new ATOM 0 HG LEU A 232 -2.116 -10.636 -5.039 1.00 62.14 H new ATOM 0 HD11 LEU A 232 -0.092 -10.436 -3.638 1.00 23.25 H new ATOM 0 HD12 LEU A 232 -1.087 -8.962 -3.558 1.00 23.25 H new ATOM 0 HD13 LEU A 232 -1.111 -10.127 -2.212 1.00 23.25 H new ATOM 0 HD21 LEU A 232 -1.163 -12.659 -3.905 1.00 64.32 H new ATOM 0 HD22 LEU A 232 -2.217 -12.358 -2.502 1.00 64.32 H new ATOM 0 HD23 LEU A 232 -2.929 -12.793 -4.074 1.00 64.32 H new ATOM 974 N ILE A 233 -5.452 -9.191 -5.928 1.00 20.31 N ATOM 975 CA ILE A 233 -5.909 -9.342 -7.310 1.00 12.23 C ATOM 976 C ILE A 233 -6.746 -8.112 -7.708 1.00 33.40 C ATOM 977 O ILE A 233 -6.926 -7.836 -8.887 1.00 73.01 O ATOM 978 CB ILE A 233 -6.710 -10.671 -7.443 1.00 31.24 C ATOM 979 CG1 ILE A 233 -5.901 -11.891 -6.922 1.00 41.21 C ATOM 980 CG2 ILE A 233 -7.147 -10.927 -8.899 1.00 11.11 C ATOM 981 CD1 ILE A 233 -6.703 -13.196 -6.838 1.00 1.50 C ATOM 0 H ILE A 233 -6.201 -9.330 -5.250 1.00 20.31 H new ATOM 0 HA ILE A 233 -5.061 -9.397 -7.993 1.00 12.23 H new ATOM 0 HB ILE A 233 -7.599 -10.555 -6.823 1.00 31.24 H new ATOM 0 HG12 ILE A 233 -5.043 -12.048 -7.576 1.00 41.21 H new ATOM 0 HG13 ILE A 233 -5.509 -11.656 -5.932 1.00 41.21 H new ATOM 0 HG21 ILE A 233 -7.703 -11.863 -8.953 1.00 11.11 H new ATOM 0 HG22 ILE A 233 -7.781 -10.108 -9.238 1.00 11.11 H new ATOM 0 HG23 ILE A 233 -6.266 -10.991 -9.537 1.00 11.11 H new ATOM 0 HD11 ILE A 233 -6.061 -13.994 -6.465 1.00 1.50 H new ATOM 0 HD12 ILE A 233 -7.546 -13.062 -6.160 1.00 1.50 H new ATOM 0 HD13 ILE A 233 -7.072 -13.460 -7.829 1.00 1.50 H new ATOM 993 N LYS A 234 -7.289 -7.372 -6.734 1.00 35.12 N ATOM 994 CA LYS A 234 -8.120 -6.197 -6.971 1.00 65.43 C ATOM 995 C LYS A 234 -7.285 -5.085 -7.603 1.00 71.04 C ATOM 996 O LYS A 234 -7.567 -4.698 -8.731 1.00 11.24 O ATOM 997 CB LYS A 234 -8.740 -5.746 -5.646 1.00 41.01 C ATOM 998 CG LYS A 234 -9.757 -4.606 -5.790 1.00 40.11 C ATOM 999 CD LYS A 234 -9.578 -3.462 -4.778 1.00 52.01 C ATOM 1000 CE LYS A 234 -9.304 -3.919 -3.338 1.00 24.13 C ATOM 1001 NZ LYS A 234 -9.077 -2.774 -2.438 1.00 64.53 N1+ ATOM 0 H LYS A 234 -7.158 -7.581 -5.744 1.00 35.12 H new ATOM 0 HA LYS A 234 -8.924 -6.442 -7.665 1.00 65.43 H new ATOM 0 HB2 LYS A 234 -9.230 -6.599 -5.177 1.00 41.01 H new ATOM 0 HB3 LYS A 234 -7.944 -5.426 -4.974 1.00 41.01 H new ATOM 0 HG2 LYS A 234 -9.686 -4.197 -6.798 1.00 40.11 H new ATOM 0 HG3 LYS A 234 -10.761 -5.016 -5.682 1.00 40.11 H new ATOM 0 HD2 LYS A 234 -8.754 -2.829 -5.107 1.00 52.01 H new ATOM 0 HD3 LYS A 234 -10.476 -2.845 -4.785 1.00 52.01 H new ATOM 0 HE2 LYS A 234 -10.148 -4.506 -2.975 1.00 24.13 H new ATOM 0 HE3 LYS A 234 -8.432 -4.573 -3.323 1.00 24.13 H new ATOM 0 HZ1 LYS A 234 -9.248 -3.066 -1.455 1.00 64.53 H new ATOM 0 HZ2 LYS A 234 -8.095 -2.445 -2.536 1.00 64.53 H new ATOM 0 HZ3 LYS A 234 -9.727 -2.002 -2.688 1.00 64.53 H new ATOM 1015 N GLN A 235 -6.330 -4.543 -6.836 1.00 72.02 N ATOM 1016 CA GLN A 235 -5.314 -3.620 -7.318 1.00 11.35 C ATOM 1017 C GLN A 235 -4.298 -4.492 -8.083 1.00 33.24 C ATOM 1018 O GLN A 235 -4.476 -5.705 -8.216 1.00 30.21 O ATOM 1019 CB GLN A 235 -4.675 -2.891 -6.112 1.00 22.32 C ATOM 1020 CG GLN A 235 -5.646 -1.945 -5.374 1.00 50.13 C ATOM 1021 CD GLN A 235 -5.531 -1.987 -3.851 1.00 24.00 C ATOM 1022 OE1 GLN A 235 -6.453 -2.441 -3.172 1.00 23.03 O ATOM 1023 NE2 GLN A 235 -4.449 -1.507 -3.263 1.00 43.20 N ATOM 0 H GLN A 235 -6.247 -4.744 -5.839 1.00 72.02 H new ATOM 0 HA GLN A 235 -5.712 -2.844 -7.972 1.00 11.35 H new ATOM 0 HB2 GLN A 235 -4.299 -3.633 -5.408 1.00 22.32 H new ATOM 0 HB3 GLN A 235 -3.816 -2.317 -6.459 1.00 22.32 H new ATOM 0 HG2 GLN A 235 -5.467 -0.924 -5.712 1.00 50.13 H new ATOM 0 HG3 GLN A 235 -6.667 -2.200 -5.656 1.00 50.13 H new ATOM 0 HE21 GLN A 235 -3.686 -1.131 -3.827 1.00 43.20 H new ATOM 0 HE22 GLN A 235 -4.377 -1.512 -2.246 1.00 43.20 H new ATOM 1032 N HIS A 236 -3.191 -3.908 -8.530 1.00 22.23 N ATOM 1033 CA HIS A 236 -2.109 -4.586 -9.234 1.00 73.33 C ATOM 1034 C HIS A 236 -2.497 -5.123 -10.609 1.00 63.54 C ATOM 1035 O HIS A 236 -2.043 -4.572 -11.615 1.00 34.42 O ATOM 1036 CB HIS A 236 -1.364 -5.593 -8.338 1.00 2.44 C ATOM 1037 CG HIS A 236 -0.035 -5.071 -7.857 1.00 4.45 C ATOM 1038 ND1 HIS A 236 1.156 -5.160 -8.541 1.00 31.54 N ATOM 1039 CD2 HIS A 236 0.201 -4.390 -6.694 1.00 72.22 C ATOM 1040 CE1 HIS A 236 2.095 -4.538 -7.808 1.00 31.30 C ATOM 1041 NE2 HIS A 236 1.564 -4.065 -6.665 1.00 63.23 N ATOM 0 H HIS A 236 -3.017 -2.911 -8.407 1.00 22.23 H new ATOM 0 HA HIS A 236 -1.377 -3.813 -9.468 1.00 73.33 H new ATOM 0 HB2 HIS A 236 -1.987 -5.837 -7.477 1.00 2.44 H new ATOM 0 HB3 HIS A 236 -1.207 -6.519 -8.891 1.00 2.44 H new ATOM 0 HD2 HIS A 236 -0.530 -4.147 -5.937 1.00 72.22 H new ATOM 0 HE1 HIS A 236 3.131 -4.432 -8.096 1.00 31.30 H new ATOM 0 HE2 HIS A 236 2.057 -3.568 -5.923 1.00 63.23 H new ATOM 1049 N THR A 237 -3.274 -6.195 -10.705 1.00 74.12 N ATOM 1050 CA THR A 237 -3.657 -6.774 -11.987 1.00 64.12 C ATOM 1051 C THR A 237 -4.961 -7.560 -11.837 1.00 22.14 C ATOM 1052 O THR A 237 -4.976 -8.664 -11.292 1.00 63.42 O ATOM 1053 CB THR A 237 -2.536 -7.625 -12.594 1.00 1.11 C ATOM 1054 OG1 THR A 237 -1.224 -7.199 -12.238 1.00 61.40 O ATOM 1055 CG2 THR A 237 -2.612 -7.669 -14.122 1.00 50.03 C ATOM 0 H THR A 237 -3.656 -6.687 -9.897 1.00 74.12 H new ATOM 0 HA THR A 237 -3.829 -5.960 -12.691 1.00 64.12 H new ATOM 0 HB THR A 237 -2.704 -8.615 -12.171 1.00 1.11 H new ATOM 0 HG1 THR A 237 -0.563 -7.788 -12.659 1.00 61.40 H new ATOM 0 HG21 THR A 237 -1.799 -8.283 -14.509 1.00 50.03 H new ATOM 0 HG22 THR A 237 -3.567 -8.097 -14.427 1.00 50.03 H new ATOM 0 HG23 THR A 237 -2.525 -6.658 -14.520 1.00 50.03 H new ATOM 1063 N ALA A 238 -6.040 -6.995 -12.375 1.00 64.25 N ATOM 1064 CA ALA A 238 -7.353 -7.618 -12.470 1.00 34.41 C ATOM 1065 C ALA A 238 -7.670 -7.830 -13.957 1.00 70.53 C ATOM 1066 O ALA A 238 -8.262 -6.947 -14.585 1.00 41.40 O ATOM 1067 CB ALA A 238 -8.412 -6.760 -11.760 1.00 14.52 C ATOM 0 H ALA A 238 -6.020 -6.055 -12.771 1.00 64.25 H new ATOM 0 HA ALA A 238 -7.360 -8.585 -11.967 1.00 34.41 H new ATOM 0 HB1 ALA A 238 -9.386 -7.242 -11.842 1.00 14.52 H new ATOM 0 HB2 ALA A 238 -8.148 -6.653 -10.708 1.00 14.52 H new ATOM 0 HB3 ALA A 238 -8.454 -5.775 -12.226 1.00 14.52 H new ATOM 1073 N PRO A 239 -7.222 -8.933 -14.580 1.00 61.40 N ATOM 1074 CA PRO A 239 -7.644 -9.271 -15.934 1.00 14.44 C ATOM 1075 C PRO A 239 -9.124 -9.681 -15.930 1.00 74.14 C ATOM 1076 O PRO A 239 -9.716 -9.913 -14.873 1.00 42.52 O ATOM 1077 CB PRO A 239 -6.714 -10.409 -16.364 1.00 51.21 C ATOM 1078 CG PRO A 239 -6.399 -11.118 -15.047 1.00 20.31 C ATOM 1079 CD PRO A 239 -6.373 -9.980 -14.027 1.00 1.53 C ATOM 0 HA PRO A 239 -7.572 -8.436 -16.631 1.00 14.44 H new ATOM 0 HB2 PRO A 239 -7.198 -11.078 -17.076 1.00 51.21 H new ATOM 0 HB3 PRO A 239 -5.811 -10.032 -16.844 1.00 51.21 H new ATOM 0 HG2 PRO A 239 -7.157 -11.861 -14.800 1.00 20.31 H new ATOM 0 HG3 PRO A 239 -5.443 -11.640 -15.091 1.00 20.31 H new ATOM 0 HD2 PRO A 239 -6.745 -10.314 -13.058 1.00 1.53 H new ATOM 0 HD3 PRO A 239 -5.357 -9.618 -13.871 1.00 1.53 H new ATOM 1087 N VAL A 240 -9.719 -9.817 -17.114 1.00 55.30 N ATOM 1088 CA VAL A 240 -11.088 -10.289 -17.288 1.00 73.31 C ATOM 1089 C VAL A 240 -11.087 -11.363 -18.375 1.00 73.24 C ATOM 1090 O VAL A 240 -10.191 -11.388 -19.219 1.00 4.41 O ATOM 1091 CB VAL A 240 -12.040 -9.112 -17.602 1.00 1.54 C ATOM 1092 CG1 VAL A 240 -12.165 -8.156 -16.405 1.00 2.11 C ATOM 1093 CG2 VAL A 240 -11.632 -8.303 -18.844 1.00 62.34 C ATOM 0 H VAL A 240 -9.253 -9.598 -17.994 1.00 55.30 H new ATOM 0 HA VAL A 240 -11.463 -10.732 -16.366 1.00 73.31 H new ATOM 0 HB VAL A 240 -13.003 -9.578 -17.812 1.00 1.54 H new ATOM 0 HG11 VAL A 240 -12.841 -7.340 -16.660 1.00 2.11 H new ATOM 0 HG12 VAL A 240 -12.559 -8.699 -15.546 1.00 2.11 H new ATOM 0 HG13 VAL A 240 -11.184 -7.750 -16.159 1.00 2.11 H new ATOM 0 HG21 VAL A 240 -12.346 -7.494 -19.002 1.00 62.34 H new ATOM 0 HG22 VAL A 240 -10.637 -7.885 -18.695 1.00 62.34 H new ATOM 0 HG23 VAL A 240 -11.624 -8.956 -19.717 1.00 62.34 H new ATOM 1103 N SER A 241 -12.090 -12.240 -18.367 1.00 23.54 N ATOM 1104 CA SER A 241 -12.273 -13.277 -19.369 1.00 33.20 C ATOM 1105 C SER A 241 -13.782 -13.424 -19.595 1.00 22.33 C ATOM 1106 O SER A 241 -14.413 -14.246 -18.927 1.00 4.10 O ATOM 1107 CB SER A 241 -11.591 -14.574 -18.901 1.00 73.01 C ATOM 1108 OG SER A 241 -11.544 -15.534 -19.937 1.00 42.03 O ATOM 0 H SER A 241 -12.811 -12.245 -17.646 1.00 23.54 H new ATOM 0 HA SER A 241 -11.806 -13.023 -20.321 1.00 33.20 H new ATOM 0 HB2 SER A 241 -10.579 -14.353 -18.562 1.00 73.01 H new ATOM 0 HB3 SER A 241 -12.131 -14.984 -18.047 1.00 73.01 H new ATOM 0 HG SER A 241 -11.104 -16.346 -19.610 1.00 42.03 H new ATOM 1114 N PRO A 242 -14.393 -12.605 -20.469 1.00 54.33 N ATOM 1115 CA PRO A 242 -15.774 -12.814 -20.878 1.00 33.53 C ATOM 1116 C PRO A 242 -15.883 -14.092 -21.721 1.00 62.22 C ATOM 1117 O PRO A 242 -14.878 -14.711 -22.079 1.00 3.45 O ATOM 1118 CB PRO A 242 -16.150 -11.554 -21.666 1.00 40.15 C ATOM 1119 CG PRO A 242 -14.824 -11.138 -22.299 1.00 23.42 C ATOM 1120 CD PRO A 242 -13.791 -11.524 -21.239 1.00 33.01 C ATOM 0 HA PRO A 242 -16.453 -12.957 -20.038 1.00 33.53 H new ATOM 0 HB2 PRO A 242 -16.910 -11.761 -22.420 1.00 40.15 H new ATOM 0 HB3 PRO A 242 -16.549 -10.775 -21.016 1.00 40.15 H new ATOM 0 HG2 PRO A 242 -14.647 -11.658 -23.241 1.00 23.42 H new ATOM 0 HG3 PRO A 242 -14.799 -10.070 -22.515 1.00 23.42 H new ATOM 0 HD2 PRO A 242 -12.858 -11.847 -21.702 1.00 33.01 H new ATOM 0 HD3 PRO A 242 -13.552 -10.675 -20.599 1.00 33.01 H new ATOM 1128 N HIS A 243 -17.111 -14.476 -22.047 1.00 45.13 N ATOM 1129 CA HIS A 243 -17.455 -15.558 -22.956 1.00 20.32 C ATOM 1130 C HIS A 243 -18.816 -15.209 -23.564 1.00 25.15 C ATOM 1131 O HIS A 243 -19.505 -14.314 -23.065 1.00 54.22 O ATOM 1132 CB HIS A 243 -17.475 -16.902 -22.206 1.00 51.05 C ATOM 1133 CG HIS A 243 -18.137 -16.857 -20.848 1.00 23.30 C ATOM 1134 ND1 HIS A 243 -17.495 -16.616 -19.651 1.00 43.14 N ATOM 1135 CD2 HIS A 243 -19.472 -17.017 -20.584 1.00 22.02 C ATOM 1136 CE1 HIS A 243 -18.428 -16.643 -18.683 1.00 63.04 C ATOM 1137 NE2 HIS A 243 -19.642 -16.883 -19.200 1.00 1.40 N ATOM 0 H HIS A 243 -17.936 -14.015 -21.663 1.00 45.13 H new ATOM 0 HA HIS A 243 -16.716 -15.668 -23.750 1.00 20.32 H new ATOM 0 HB2 HIS A 243 -17.990 -17.639 -22.822 1.00 51.05 H new ATOM 0 HB3 HIS A 243 -16.449 -17.250 -22.084 1.00 51.05 H new ATOM 0 HD2 HIS A 243 -20.249 -17.211 -21.309 1.00 22.02 H new ATOM 0 HE1 HIS A 243 -18.227 -16.492 -17.633 1.00 63.04 H new ATOM 0 HE2 HIS A 243 -20.520 -16.954 -18.685 1.00 1.40 H new ATOM 1145 N SER A 244 -19.183 -15.901 -24.636 1.00 53.22 N ATOM 1146 CA SER A 244 -20.404 -15.728 -25.397 1.00 22.22 C ATOM 1147 C SER A 244 -20.597 -17.049 -26.115 1.00 53.24 C ATOM 1148 O SER A 244 -19.604 -17.429 -26.781 1.00 34.02 O ATOM 1149 CB SER A 244 -20.240 -14.574 -26.397 1.00 24.31 C ATOM 1150 OG SER A 244 -19.044 -14.747 -27.137 1.00 51.22 O ATOM 0 H SER A 244 -18.596 -16.643 -25.017 1.00 53.22 H new ATOM 0 HA SER A 244 -21.261 -15.478 -24.772 1.00 22.22 H new ATOM 0 HB2 SER A 244 -21.095 -14.542 -27.072 1.00 24.31 H new ATOM 0 HB3 SER A 244 -20.216 -13.622 -25.867 1.00 24.31 H new ATOM 0 HG SER A 244 -18.878 -15.703 -27.272 1.00 51.22 H new TER 1156 SER A 244