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 179 GLN : amide:sc= -0.0125 K(o=-0.048,f=-0.87) USER MOD Set 1.2: A 182 GLN : amide:sc= -0.0358 K(o=-0.048,f=-0.87) USER MOD Single : A 176 SER OG : rot 180:sc= 0 USER MOD Single : A 184 THR OG1 : rot 180:sc= 0 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 180:sc= 0.0436 USER MOD Single : A 194 TYR OH : rot 180:sc= 0 USER MOD Single : A 195 SER OG : rot 180:sc= 0 USER MOD Single : A 196 LYS NZ :NH3+ -163:sc=-0.00725 (180deg=-0.159) USER MOD Single : A 197 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 198 SER OG : rot -156:sc= 0.013 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= -0.005 K(o=-0.005,f=-0.61) USER MOD Single : A 205 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 207 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 209 HIS : no HD1:sc=-0.000685 X(o=-0.00069,f=-0.14) USER MOD Single : A 211 SER OG : rot 180:sc= 0 USER MOD Single : A 214 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 217 LYS NZ :NH3+ 146:sc= 1.07 (180deg=0.277) USER MOD Single : A 218 CYS SG : rot -60:sc= 0.242 USER MOD Single : A 224 SER OG : rot -84:sc= 1.02 USER MOD Single : A 228 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 229 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 231 HIS : no HE2:sc= -1.96 K(o=-2,f=-3.3) USER MOD Single : A 234 LYS NZ :NH3+ 174:sc= 1.12 (180deg=1.08) USER MOD Single : A 235 GLN : amide:sc= 0.891 K(o=0.89,f=-0.39) USER MOD Single : A 236 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 237 THR OG1 : rot 73:sc= 1.17 USER MOD Single : A 241 SER OG : rot 180:sc= 0 USER MOD Single : A 243 HIS : no HD1:sc= -0.248 X(o=-0.25,f=-0.0039) USER MOD Single : A 244 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 175 12.568 8.537 37.682 1.00 44.44 N ATOM 2 CA ARG A 175 11.927 7.721 38.721 1.00 25.31 C ATOM 3 C ARG A 175 10.436 7.643 38.405 1.00 23.33 C ATOM 4 O ARG A 175 9.922 8.492 37.676 1.00 72.25 O ATOM 5 CB ARG A 175 12.159 8.315 40.134 1.00 63.20 C ATOM 6 CG ARG A 175 13.338 7.686 40.907 1.00 35.43 C ATOM 7 CD ARG A 175 14.716 8.246 40.520 1.00 51.31 C ATOM 8 NE ARG A 175 15.805 7.340 40.921 1.00 63.41 N ATOM 9 CZ ARG A 175 16.538 7.337 42.041 1.00 22.04 C ATOM 10 NH1 ARG A 175 16.348 8.263 42.980 1.00 63.22 N1+ ATOM 11 NH2 ARG A 175 17.462 6.395 42.216 1.00 52.51 N ATOM 0 HA ARG A 175 12.366 6.723 38.725 1.00 25.31 H new ATOM 0 HB2 ARG A 175 12.333 9.387 40.040 1.00 63.20 H new ATOM 0 HB3 ARG A 175 11.249 8.191 40.721 1.00 63.20 H new ATOM 0 HG2 ARG A 175 13.182 7.841 41.975 1.00 35.43 H new ATOM 0 HG3 ARG A 175 13.335 6.609 40.738 1.00 35.43 H new ATOM 0 HD2 ARG A 175 14.754 8.406 39.442 1.00 51.31 H new ATOM 0 HD3 ARG A 175 14.859 9.218 40.992 1.00 51.31 H new ATOM 0 HE ARG A 175 16.034 6.609 40.248 1.00 63.41 H new ATOM 0 HH11 ARG A 175 15.638 8.984 42.849 1.00 63.22 H new ATOM 0 HH12 ARG A 175 16.912 8.251 43.830 1.00 63.22 H new ATOM 0 HH21 ARG A 175 17.607 5.683 41.500 1.00 52.51 H new ATOM 0 HH22 ARG A 175 18.025 6.385 43.066 1.00 52.51 H new ATOM 25 N SER A 176 9.749 6.643 38.961 1.00 54.30 N ATOM 26 CA SER A 176 8.316 6.378 38.838 1.00 40.15 C ATOM 27 C SER A 176 7.815 6.522 37.395 1.00 12.11 C ATOM 28 O SER A 176 7.159 7.509 37.062 1.00 40.04 O ATOM 29 CB SER A 176 7.529 7.246 39.836 1.00 24.33 C ATOM 30 OG SER A 176 7.973 6.998 41.161 1.00 71.11 O ATOM 0 H SER A 176 10.212 5.950 39.549 1.00 54.30 H new ATOM 0 HA SER A 176 8.139 5.334 39.097 1.00 40.15 H new ATOM 0 HB2 SER A 176 7.659 8.301 39.593 1.00 24.33 H new ATOM 0 HB3 SER A 176 6.464 7.030 39.756 1.00 24.33 H new ATOM 0 HG SER A 176 7.466 7.557 41.786 1.00 71.11 H new ATOM 36 N LEU A 177 8.089 5.533 36.533 1.00 42.40 N ATOM 37 CA LEU A 177 7.657 5.554 35.124 1.00 14.14 C ATOM 38 C LEU A 177 8.221 6.801 34.429 1.00 25.25 C ATOM 39 O LEU A 177 9.235 7.344 34.885 1.00 72.32 O ATOM 40 CB LEU A 177 6.122 5.382 35.025 1.00 62.05 C ATOM 41 CG LEU A 177 5.573 4.114 35.716 1.00 74.24 C ATOM 42 CD1 LEU A 177 4.058 4.016 35.518 1.00 32.31 C ATOM 43 CD2 LEU A 177 6.227 2.824 35.197 1.00 21.13 C ATOM 0 H LEU A 177 8.615 4.697 36.789 1.00 42.40 H new ATOM 0 HA LEU A 177 8.067 4.703 34.580 1.00 14.14 H new ATOM 0 HB2 LEU A 177 5.642 6.256 35.465 1.00 62.05 H new ATOM 0 HB3 LEU A 177 5.839 5.358 33.973 1.00 62.05 H new ATOM 0 HG LEU A 177 5.814 4.210 36.775 1.00 74.24 H new ATOM 0 HD11 LEU A 177 3.684 3.118 36.010 1.00 32.31 H new ATOM 0 HD12 LEU A 177 3.577 4.893 35.950 1.00 32.31 H new ATOM 0 HD13 LEU A 177 3.833 3.967 34.453 1.00 32.31 H new ATOM 0 HD21 LEU A 177 5.803 1.966 35.718 1.00 21.13 H new ATOM 0 HD22 LEU A 177 6.042 2.727 34.127 1.00 21.13 H new ATOM 0 HD23 LEU A 177 7.301 2.863 35.377 1.00 21.13 H new ATOM 55 N ARG A 178 7.688 7.189 33.272 1.00 24.30 N ATOM 56 CA ARG A 178 7.687 8.606 32.890 1.00 3.45 C ATOM 57 C ARG A 178 6.326 9.232 33.201 1.00 25.42 C ATOM 58 O ARG A 178 5.336 8.527 33.417 1.00 34.30 O ATOM 59 CB ARG A 178 8.031 8.785 31.401 1.00 73.44 C ATOM 60 CG ARG A 178 9.542 8.741 31.146 1.00 23.23 C ATOM 61 CD ARG A 178 10.057 7.357 30.747 1.00 61.32 C ATOM 62 NE ARG A 178 9.912 7.132 29.298 1.00 43.12 N ATOM 63 CZ ARG A 178 10.692 6.333 28.561 1.00 4.41 C ATOM 64 NH1 ARG A 178 11.581 5.534 29.134 1.00 33.23 N1+ ATOM 65 NH2 ARG A 178 10.580 6.328 27.241 1.00 63.23 N ATOM 0 H ARG A 178 7.259 6.560 32.593 1.00 24.30 H new ATOM 0 HA ARG A 178 8.455 9.114 33.472 1.00 3.45 H new ATOM 0 HB2 ARG A 178 7.543 8.002 30.821 1.00 73.44 H new ATOM 0 HB3 ARG A 178 7.633 9.737 31.050 1.00 73.44 H new ATOM 0 HG2 ARG A 178 9.790 9.452 30.358 1.00 23.23 H new ATOM 0 HG3 ARG A 178 10.063 9.068 32.046 1.00 23.23 H new ATOM 0 HD2 ARG A 178 11.105 7.261 31.030 1.00 61.32 H new ATOM 0 HD3 ARG A 178 9.508 6.590 31.294 1.00 61.32 H new ATOM 0 HE ARG A 178 9.158 7.624 28.819 1.00 43.12 H new ATOM 0 HH11 ARG A 178 11.677 5.523 30.149 1.00 33.23 H new ATOM 0 HH12 ARG A 178 12.169 4.930 28.560 1.00 33.23 H new ATOM 0 HH21 ARG A 178 9.898 6.934 26.785 1.00 63.23 H new ATOM 0 HH22 ARG A 178 11.176 5.718 26.681 1.00 63.23 H new ATOM 79 N GLN A 179 6.288 10.566 33.174 1.00 24.00 N ATOM 80 CA GLN A 179 5.065 11.361 33.134 1.00 3.32 C ATOM 81 C GLN A 179 4.258 11.066 31.866 1.00 35.51 C ATOM 82 O GLN A 179 4.747 10.433 30.918 1.00 2.32 O ATOM 83 CB GLN A 179 5.419 12.859 33.225 1.00 52.52 C ATOM 84 CG GLN A 179 6.256 13.397 32.038 1.00 55.30 C ATOM 85 CD GLN A 179 6.766 14.826 32.248 1.00 71.53 C ATOM 86 OE1 GLN A 179 6.813 15.328 33.369 1.00 14.25 O ATOM 87 NE2 GLN A 179 7.171 15.510 31.193 1.00 3.14 N ATOM 0 H GLN A 179 7.133 11.137 33.180 1.00 24.00 H new ATOM 0 HA GLN A 179 4.443 11.092 33.987 1.00 3.32 H new ATOM 0 HB2 GLN A 179 4.495 13.434 33.291 1.00 52.52 H new ATOM 0 HB3 GLN A 179 5.970 13.033 34.149 1.00 52.52 H new ATOM 0 HG2 GLN A 179 7.107 12.736 31.875 1.00 55.30 H new ATOM 0 HG3 GLN A 179 5.650 13.365 31.133 1.00 55.30 H new ATOM 0 HE21 GLN A 179 7.130 15.088 30.265 1.00 3.14 H new ATOM 0 HE22 GLN A 179 7.525 16.460 31.306 1.00 3.14 H new ATOM 96 N ARG A 180 3.030 11.583 31.820 1.00 65.05 N ATOM 97 CA ARG A 180 2.145 11.473 30.672 1.00 64.25 C ATOM 98 C ARG A 180 1.135 12.617 30.690 1.00 43.03 C ATOM 99 O ARG A 180 1.181 13.454 31.589 1.00 61.12 O ATOM 100 CB ARG A 180 1.440 10.104 30.730 1.00 54.40 C ATOM 101 CG ARG A 180 1.266 9.470 29.347 1.00 40.31 C ATOM 102 CD ARG A 180 2.060 8.171 29.204 1.00 25.33 C ATOM 103 NE ARG A 180 3.517 8.365 29.089 1.00 63.12 N ATOM 104 CZ ARG A 180 4.346 7.419 28.625 1.00 4.44 C ATOM 105 NH1 ARG A 180 3.886 6.189 28.386 1.00 33.41 N1+ ATOM 106 NH2 ARG A 180 5.624 7.706 28.399 1.00 74.54 N ATOM 0 H ARG A 180 2.619 12.099 32.598 1.00 65.05 H new ATOM 0 HA ARG A 180 2.710 11.543 29.743 1.00 64.25 H new ATOM 0 HB2 ARG A 180 2.016 9.430 31.364 1.00 54.40 H new ATOM 0 HB3 ARG A 180 0.462 10.223 31.196 1.00 54.40 H new ATOM 0 HG2 ARG A 180 0.209 9.269 29.171 1.00 40.31 H new ATOM 0 HG3 ARG A 180 1.588 10.177 28.582 1.00 40.31 H new ATOM 0 HD2 ARG A 180 1.856 7.536 30.066 1.00 25.33 H new ATOM 0 HD3 ARG A 180 1.705 7.636 28.323 1.00 25.33 H new ATOM 0 HE ARG A 180 3.913 9.260 29.376 1.00 63.12 H new ATOM 0 HH11 ARG A 180 2.905 5.969 28.556 1.00 33.41 H new ATOM 0 HH12 ARG A 180 4.516 5.469 28.033 1.00 33.41 H new ATOM 0 HH21 ARG A 180 5.975 8.647 28.579 1.00 74.54 H new ATOM 0 HH22 ARG A 180 6.254 6.985 28.046 1.00 74.54 H new ATOM 120 N LEU A 181 0.226 12.598 29.706 1.00 42.44 N ATOM 121 CA LEU A 181 -1.017 13.368 29.616 1.00 73.23 C ATOM 122 C LEU A 181 -0.819 14.834 30.005 1.00 71.21 C ATOM 123 O LEU A 181 -1.214 15.280 31.073 1.00 74.14 O ATOM 124 CB LEU A 181 -2.119 12.646 30.423 1.00 33.22 C ATOM 125 CG LEU A 181 -3.570 12.853 29.947 1.00 33.35 C ATOM 126 CD1 LEU A 181 -4.008 14.314 29.838 1.00 5.21 C ATOM 127 CD2 LEU A 181 -3.828 12.137 28.616 1.00 70.12 C ATOM 0 H LEU A 181 0.352 11.997 28.891 1.00 42.44 H new ATOM 0 HA LEU A 181 -1.345 13.411 28.577 1.00 73.23 H new ATOM 0 HB2 LEU A 181 -1.906 11.577 30.411 1.00 33.22 H new ATOM 0 HB3 LEU A 181 -2.051 12.973 31.461 1.00 33.22 H new ATOM 0 HG LEU A 181 -4.179 12.410 30.735 1.00 33.35 H new ATOM 0 HD11 LEU A 181 -5.042 14.359 29.496 1.00 5.21 H new ATOM 0 HD12 LEU A 181 -3.927 14.792 30.814 1.00 5.21 H new ATOM 0 HD13 LEU A 181 -3.367 14.834 29.126 1.00 5.21 H new ATOM 0 HD21 LEU A 181 -4.860 12.303 28.308 1.00 70.12 H new ATOM 0 HD22 LEU A 181 -3.154 12.530 27.855 1.00 70.12 H new ATOM 0 HD23 LEU A 181 -3.653 11.068 28.738 1.00 70.12 H new ATOM 139 N GLN A 182 -0.172 15.579 29.112 1.00 62.31 N ATOM 140 CA GLN A 182 0.244 16.950 29.391 1.00 40.10 C ATOM 141 C GLN A 182 0.440 17.785 28.118 1.00 63.11 C ATOM 142 O GLN A 182 0.928 18.905 28.183 1.00 12.30 O ATOM 143 CB GLN A 182 1.531 16.910 30.231 1.00 72.53 C ATOM 144 CG GLN A 182 2.640 16.081 29.565 1.00 23.40 C ATOM 145 CD GLN A 182 4.031 16.435 30.070 1.00 41.05 C ATOM 146 OE1 GLN A 182 4.978 16.445 29.288 1.00 54.13 O ATOM 147 NE2 GLN A 182 4.221 16.708 31.352 1.00 22.23 N ATOM 0 H GLN A 182 0.077 15.251 28.179 1.00 62.31 H new ATOM 0 HA GLN A 182 -0.553 17.444 29.947 1.00 40.10 H new ATOM 0 HB2 GLN A 182 1.888 17.927 30.392 1.00 72.53 H new ATOM 0 HB3 GLN A 182 1.308 16.492 31.212 1.00 72.53 H new ATOM 0 HG2 GLN A 182 2.453 15.022 29.745 1.00 23.40 H new ATOM 0 HG3 GLN A 182 2.601 16.233 28.486 1.00 23.40 H new ATOM 0 HE21 GLN A 182 3.432 16.699 31.998 1.00 22.23 H new ATOM 0 HE22 GLN A 182 5.157 16.928 31.693 1.00 22.23 H new ATOM 156 N ASP A 183 0.087 17.248 26.954 1.00 20.03 N ATOM 157 CA ASP A 183 0.386 17.794 25.625 1.00 43.12 C ATOM 158 C ASP A 183 -0.939 18.154 24.947 1.00 32.23 C ATOM 159 O ASP A 183 -1.225 17.850 23.785 1.00 34.24 O ATOM 160 CB ASP A 183 1.170 16.749 24.841 1.00 20.31 C ATOM 161 CG ASP A 183 1.791 17.287 23.547 1.00 12.13 C ATOM 162 OD1 ASP A 183 1.886 18.518 23.345 1.00 23.45 O1- ATOM 163 OD2 ASP A 183 2.271 16.453 22.747 1.00 22.45 O ATOM 0 H ASP A 183 -0.442 16.377 26.905 1.00 20.03 H new ATOM 0 HA ASP A 183 0.994 18.697 25.682 1.00 43.12 H new ATOM 0 HB2 ASP A 183 1.962 16.350 25.475 1.00 20.31 H new ATOM 0 HB3 ASP A 183 0.508 15.918 24.598 1.00 20.31 H new ATOM 168 N THR A 184 -1.841 18.646 25.788 1.00 51.30 N ATOM 169 CA THR A 184 -3.232 18.934 25.494 1.00 22.11 C ATOM 170 C THR A 184 -3.636 20.261 26.164 1.00 53.13 C ATOM 171 O THR A 184 -4.655 20.855 25.803 1.00 71.31 O ATOM 172 CB THR A 184 -4.049 17.694 25.906 1.00 3.31 C ATOM 173 OG1 THR A 184 -5.407 17.784 25.554 1.00 25.41 O ATOM 174 CG2 THR A 184 -3.957 17.355 27.400 1.00 51.10 C ATOM 0 H THR A 184 -1.601 18.867 26.754 1.00 51.30 H new ATOM 0 HA THR A 184 -3.427 19.100 24.434 1.00 22.11 H new ATOM 0 HB THR A 184 -3.582 16.889 25.339 1.00 3.31 H new ATOM 0 HG1 THR A 184 -5.873 16.970 25.838 1.00 25.41 H new ATOM 0 HG21 THR A 184 -4.559 16.471 27.610 1.00 51.10 H new ATOM 0 HG22 THR A 184 -2.918 17.158 27.665 1.00 51.10 H new ATOM 0 HG23 THR A 184 -4.329 18.195 27.987 1.00 51.10 H new ATOM 182 N VAL A 185 -2.788 20.798 27.050 1.00 43.51 N ATOM 183 CA VAL A 185 -2.957 22.112 27.679 1.00 73.04 C ATOM 184 C VAL A 185 -1.620 22.841 27.577 1.00 11.42 C ATOM 185 O VAL A 185 -0.647 22.432 28.217 1.00 54.52 O ATOM 186 CB VAL A 185 -3.491 22.020 29.127 1.00 23.54 C ATOM 187 CG1 VAL A 185 -3.750 23.416 29.719 1.00 72.43 C ATOM 188 CG2 VAL A 185 -4.808 21.232 29.224 1.00 23.12 C ATOM 0 H VAL A 185 -1.943 20.317 27.357 1.00 43.51 H new ATOM 0 HA VAL A 185 -3.725 22.680 27.155 1.00 73.04 H new ATOM 0 HB VAL A 185 -2.713 21.500 29.686 1.00 23.54 H new ATOM 0 HG11 VAL A 185 -4.125 23.315 30.738 1.00 72.43 H new ATOM 0 HG12 VAL A 185 -2.820 23.985 29.729 1.00 72.43 H new ATOM 0 HG13 VAL A 185 -4.489 23.938 29.111 1.00 72.43 H new ATOM 0 HG21 VAL A 185 -5.137 21.199 30.263 1.00 23.12 H new ATOM 0 HG22 VAL A 185 -5.570 21.721 28.617 1.00 23.12 H new ATOM 0 HG23 VAL A 185 -4.652 20.216 28.861 1.00 23.12 H new ATOM 198 N GLY A 186 -1.542 23.868 26.730 1.00 64.11 N ATOM 199 CA GLY A 186 -0.358 24.699 26.549 1.00 14.24 C ATOM 200 C GLY A 186 -0.309 25.377 25.179 1.00 62.45 C ATOM 201 O GLY A 186 0.377 26.392 25.040 1.00 21.23 O ATOM 0 H GLY A 186 -2.323 24.150 26.137 1.00 64.11 H new ATOM 0 HA2 GLY A 186 -0.334 25.462 27.327 1.00 14.24 H new ATOM 0 HA3 GLY A 186 0.533 24.085 26.677 1.00 14.24 H new ATOM 205 N LEU A 187 -1.002 24.855 24.160 1.00 72.41 N ATOM 206 CA LEU A 187 -0.991 25.444 22.822 1.00 12.03 C ATOM 207 C LEU A 187 -1.911 26.657 22.793 1.00 61.21 C ATOM 208 O LEU A 187 -3.124 26.509 22.939 1.00 12.43 O ATOM 209 CB LEU A 187 -1.469 24.450 21.746 1.00 63.55 C ATOM 210 CG LEU A 187 -0.532 23.262 21.467 1.00 32.34 C ATOM 211 CD1 LEU A 187 -1.134 22.454 20.313 1.00 15.23 C ATOM 212 CD2 LEU A 187 0.886 23.695 21.082 1.00 11.21 C ATOM 0 H LEU A 187 -1.581 24.019 24.241 1.00 72.41 H new ATOM 0 HA LEU A 187 0.039 25.725 22.601 1.00 12.03 H new ATOM 0 HB2 LEU A 187 -2.441 24.059 22.046 1.00 63.55 H new ATOM 0 HB3 LEU A 187 -1.619 24.996 20.815 1.00 63.55 H new ATOM 0 HG LEU A 187 -0.447 22.676 22.382 1.00 32.34 H new ATOM 0 HD11 LEU A 187 -0.491 21.602 20.091 1.00 15.23 H new ATOM 0 HD12 LEU A 187 -2.124 22.097 20.597 1.00 15.23 H new ATOM 0 HD13 LEU A 187 -1.216 23.087 19.429 1.00 15.23 H new ATOM 0 HD21 LEU A 187 1.499 22.812 20.898 1.00 11.21 H new ATOM 0 HD22 LEU A 187 0.848 24.305 20.179 1.00 11.21 H new ATOM 0 HD23 LEU A 187 1.322 24.276 21.894 1.00 11.21 H new ATOM 224 N CYS A 188 -1.367 27.835 22.499 1.00 5.10 N ATOM 225 CA CYS A 188 -2.141 29.034 22.188 1.00 41.23 C ATOM 226 C CYS A 188 -2.690 29.033 20.748 1.00 61.24 C ATOM 227 O CYS A 188 -2.968 30.103 20.215 1.00 13.40 O ATOM 228 CB CYS A 188 -1.287 30.283 22.448 1.00 24.44 C ATOM 229 SG CYS A 188 -0.666 30.301 24.156 1.00 53.45 S ATOM 0 H CYS A 188 -0.359 27.986 22.470 1.00 5.10 H new ATOM 0 HA CYS A 188 -3.010 29.043 22.846 1.00 41.23 H new ATOM 0 HB2 CYS A 188 -0.449 30.306 21.752 1.00 24.44 H new ATOM 0 HB3 CYS A 188 -1.880 31.179 22.263 1.00 24.44 H new ATOM 0 HG CYS A 188 0.054 31.367 24.345 1.00 53.45 H new ATOM 235 N PHE A 189 -2.806 27.857 20.109 1.00 52.22 N ATOM 236 CA PHE A 189 -3.491 27.631 18.831 1.00 21.13 C ATOM 237 C PHE A 189 -3.161 28.721 17.787 1.00 22.14 C ATOM 238 O PHE A 189 -4.038 29.492 17.380 1.00 63.21 O ATOM 239 CB PHE A 189 -4.990 27.340 19.065 1.00 11.22 C ATOM 240 CG PHE A 189 -5.649 28.079 20.220 1.00 52.44 C ATOM 241 CD1 PHE A 189 -6.012 29.433 20.100 1.00 41.44 C ATOM 242 CD2 PHE A 189 -5.841 27.420 21.448 1.00 72.12 C ATOM 243 CE1 PHE A 189 -6.543 30.124 21.203 1.00 33.44 C ATOM 244 CE2 PHE A 189 -6.376 28.106 22.551 1.00 71.13 C ATOM 245 CZ PHE A 189 -6.715 29.462 22.429 1.00 32.31 C ATOM 0 H PHE A 189 -2.405 27.000 20.489 1.00 52.22 H new ATOM 0 HA PHE A 189 -3.100 26.727 18.364 1.00 21.13 H new ATOM 0 HB2 PHE A 189 -5.532 27.582 18.151 1.00 11.22 H new ATOM 0 HB3 PHE A 189 -5.108 26.269 19.232 1.00 11.22 H new ATOM 0 HD1 PHE A 189 -5.882 29.943 19.157 1.00 41.44 H new ATOM 0 HD2 PHE A 189 -5.575 26.378 21.544 1.00 72.12 H new ATOM 0 HE1 PHE A 189 -6.819 31.164 21.107 1.00 33.44 H new ATOM 0 HE2 PHE A 189 -6.526 27.592 23.489 1.00 71.13 H new ATOM 0 HZ PHE A 189 -7.109 29.998 23.280 1.00 32.31 H new ATOM 255 N PRO A 190 -1.885 28.822 17.364 1.00 74.42 N ATOM 256 CA PRO A 190 -1.376 29.944 16.587 1.00 62.01 C ATOM 257 C PRO A 190 -1.927 29.950 15.159 1.00 31.33 C ATOM 258 O PRO A 190 -2.326 28.917 14.621 1.00 55.50 O ATOM 259 CB PRO A 190 0.146 29.767 16.584 1.00 44.41 C ATOM 260 CG PRO A 190 0.316 28.254 16.683 1.00 32.21 C ATOM 261 CD PRO A 190 -0.824 27.865 17.619 1.00 14.15 C ATOM 0 HA PRO A 190 -1.682 30.896 17.020 1.00 62.01 H new ATOM 0 HB2 PRO A 190 0.597 30.165 15.675 1.00 44.41 H new ATOM 0 HB3 PRO A 190 0.614 30.281 17.423 1.00 44.41 H new ATOM 0 HG2 PRO A 190 0.228 27.769 15.711 1.00 32.21 H new ATOM 0 HG3 PRO A 190 1.289 27.979 17.090 1.00 32.21 H new ATOM 0 HD2 PRO A 190 -1.160 26.847 17.424 1.00 14.15 H new ATOM 0 HD3 PRO A 190 -0.505 27.902 18.661 1.00 14.15 H new ATOM 269 N MET A 191 -1.875 31.117 14.513 1.00 5.12 N ATOM 270 CA MET A 191 -2.432 31.355 13.178 1.00 32.15 C ATOM 271 C MET A 191 -1.395 32.010 12.250 1.00 53.20 C ATOM 272 O MET A 191 -1.735 32.664 11.260 1.00 13.41 O ATOM 273 CB MET A 191 -3.704 32.193 13.353 1.00 33.21 C ATOM 274 CG MET A 191 -4.639 32.167 12.137 1.00 23.31 C ATOM 275 SD MET A 191 -6.253 32.909 12.485 1.00 33.12 S ATOM 276 CE MET A 191 -7.068 31.505 13.289 1.00 34.42 C ATOM 0 H MET A 191 -1.433 31.944 14.914 1.00 5.12 H new ATOM 0 HA MET A 191 -2.692 30.416 12.690 1.00 32.15 H new ATOM 0 HB2 MET A 191 -4.248 31.831 14.225 1.00 33.21 H new ATOM 0 HB3 MET A 191 -3.421 33.225 13.559 1.00 33.21 H new ATOM 0 HG2 MET A 191 -4.169 32.700 11.310 1.00 23.31 H new ATOM 0 HG3 MET A 191 -4.779 31.136 11.813 1.00 23.31 H new ATOM 0 HE1 MET A 191 -8.082 31.787 13.573 1.00 34.42 H new ATOM 0 HE2 MET A 191 -7.105 30.662 12.599 1.00 34.42 H new ATOM 0 HE3 MET A 191 -6.508 31.220 14.180 1.00 34.42 H new ATOM 286 N ARG A 192 -0.109 31.875 12.580 1.00 54.31 N ATOM 287 CA ARG A 192 1.021 32.276 11.749 1.00 71.24 C ATOM 288 C ARG A 192 1.959 31.079 11.715 1.00 74.33 C ATOM 289 O ARG A 192 2.549 30.749 12.746 1.00 44.54 O ATOM 290 CB ARG A 192 1.707 33.528 12.330 1.00 53.03 C ATOM 291 CG ARG A 192 1.285 34.861 11.693 1.00 10.34 C ATOM 292 CD ARG A 192 -0.061 35.402 12.189 1.00 64.52 C ATOM 293 NE ARG A 192 0.017 35.923 13.560 1.00 53.10 N ATOM 294 CZ ARG A 192 -0.836 36.793 14.106 1.00 23.44 C ATOM 295 NH1 ARG A 192 -1.981 37.072 13.493 1.00 33.24 N1+ ATOM 296 NH2 ARG A 192 -0.531 37.371 15.261 1.00 13.53 N ATOM 0 H ARG A 192 0.182 31.467 13.469 1.00 54.31 H new ATOM 0 HA ARG A 192 0.708 32.548 10.741 1.00 71.24 H new ATOM 0 HB2 ARG A 192 1.500 33.573 13.399 1.00 53.03 H new ATOM 0 HB3 ARG A 192 2.786 33.416 12.219 1.00 53.03 H new ATOM 0 HG2 ARG A 192 2.057 35.605 11.891 1.00 10.34 H new ATOM 0 HG3 ARG A 192 1.235 34.733 10.612 1.00 10.34 H new ATOM 0 HD2 ARG A 192 -0.400 36.194 11.521 1.00 64.52 H new ATOM 0 HD3 ARG A 192 -0.807 34.608 12.147 1.00 64.52 H new ATOM 0 HE ARG A 192 0.786 35.593 14.143 1.00 53.10 H new ATOM 0 HH11 ARG A 192 -2.208 36.622 12.606 1.00 33.24 H new ATOM 0 HH12 ARG A 192 -2.634 37.736 13.909 1.00 33.24 H new ATOM 0 HH21 ARG A 192 0.350 37.150 15.725 1.00 13.53 H new ATOM 0 HH22 ARG A 192 -1.177 38.037 15.685 1.00 13.53 H new ATOM 310 N THR A 193 2.064 30.401 10.576 1.00 21.21 N ATOM 311 CA THR A 193 2.996 29.305 10.361 1.00 71.03 C ATOM 312 C THR A 193 3.247 29.180 8.849 1.00 61.34 C ATOM 313 O THR A 193 2.893 30.086 8.085 1.00 73.14 O ATOM 314 CB THR A 193 2.466 28.030 11.057 1.00 53.20 C ATOM 315 OG1 THR A 193 3.515 27.091 11.178 1.00 41.42 O ATOM 316 CG2 THR A 193 1.265 27.383 10.369 1.00 75.33 C ATOM 0 H THR A 193 1.489 30.605 9.759 1.00 21.21 H new ATOM 0 HA THR A 193 3.969 29.486 10.818 1.00 71.03 H new ATOM 0 HB THR A 193 2.107 28.347 12.036 1.00 53.20 H new ATOM 0 HG1 THR A 193 3.181 26.283 11.621 1.00 41.42 H new ATOM 0 HG21 THR A 193 0.961 26.496 10.925 1.00 75.33 H new ATOM 0 HG22 THR A 193 0.438 28.092 10.337 1.00 75.33 H new ATOM 0 HG23 THR A 193 1.538 27.098 9.353 1.00 75.33 H new ATOM 324 N TYR A 194 3.879 28.081 8.419 1.00 32.21 N ATOM 325 CA TYR A 194 4.025 27.629 7.029 1.00 24.41 C ATOM 326 C TYR A 194 5.058 28.485 6.288 1.00 2.42 C ATOM 327 O TYR A 194 5.066 28.552 5.061 1.00 43.14 O ATOM 328 CB TYR A 194 2.653 27.557 6.321 1.00 72.14 C ATOM 329 CG TYR A 194 2.525 26.501 5.231 1.00 73.13 C ATOM 330 CD1 TYR A 194 2.911 26.779 3.907 1.00 45.31 C ATOM 331 CD2 TYR A 194 1.972 25.240 5.533 1.00 72.31 C ATOM 332 CE1 TYR A 194 2.793 25.801 2.904 1.00 5.30 C ATOM 333 CE2 TYR A 194 1.812 24.272 4.523 1.00 32.21 C ATOM 334 CZ TYR A 194 2.232 24.541 3.202 1.00 42.51 C ATOM 335 OH TYR A 194 2.056 23.612 2.219 1.00 72.23 O ATOM 0 H TYR A 194 4.331 27.443 9.074 1.00 32.21 H new ATOM 0 HA TYR A 194 4.414 26.611 7.023 1.00 24.41 H new ATOM 0 HB2 TYR A 194 1.886 27.371 7.073 1.00 72.14 H new ATOM 0 HB3 TYR A 194 2.440 28.532 5.883 1.00 72.14 H new ATOM 0 HD1 TYR A 194 3.302 27.754 3.658 1.00 45.31 H new ATOM 0 HD2 TYR A 194 1.669 25.015 6.545 1.00 72.31 H new ATOM 0 HE1 TYR A 194 3.133 26.015 1.901 1.00 5.30 H new ATOM 0 HE2 TYR A 194 1.365 23.318 4.760 1.00 32.21 H new ATOM 0 HH TYR A 194 1.659 22.802 2.602 1.00 72.23 H new ATOM 345 N SER A 195 5.912 29.186 7.035 1.00 32.13 N ATOM 346 CA SER A 195 6.757 30.256 6.504 1.00 10.15 C ATOM 347 C SER A 195 7.780 29.763 5.468 1.00 61.15 C ATOM 348 O SER A 195 7.631 30.109 4.296 1.00 42.40 O ATOM 349 CB SER A 195 7.355 31.068 7.653 1.00 65.44 C ATOM 350 OG SER A 195 6.297 31.533 8.473 1.00 24.24 O ATOM 0 H SER A 195 6.038 29.025 8.034 1.00 32.13 H new ATOM 0 HA SER A 195 6.130 30.937 5.928 1.00 10.15 H new ATOM 0 HB2 SER A 195 8.042 30.453 8.234 1.00 65.44 H new ATOM 0 HB3 SER A 195 7.930 31.908 7.264 1.00 65.44 H new ATOM 0 HG SER A 195 6.665 32.055 9.217 1.00 24.24 H new ATOM 356 N LYS A 196 8.789 28.967 5.840 1.00 35.23 N ATOM 357 CA LYS A 196 9.634 28.254 4.872 1.00 32.13 C ATOM 358 C LYS A 196 9.763 26.807 5.340 1.00 0.52 C ATOM 359 O LYS A 196 10.837 26.366 5.757 1.00 54.11 O ATOM 360 CB LYS A 196 11.014 28.920 4.683 1.00 20.51 C ATOM 361 CG LYS A 196 11.030 30.273 3.954 1.00 51.31 C ATOM 362 CD LYS A 196 10.714 31.472 4.867 1.00 13.40 C ATOM 363 CE LYS A 196 11.482 32.737 4.458 1.00 13.14 C ATOM 364 NZ LYS A 196 12.935 32.623 4.707 1.00 11.14 N1+ ATOM 0 H LYS A 196 9.043 28.799 6.814 1.00 35.23 H new ATOM 0 HA LYS A 196 9.164 28.291 3.889 1.00 32.13 H new ATOM 0 HB2 LYS A 196 11.464 29.057 5.666 1.00 20.51 H new ATOM 0 HB3 LYS A 196 11.654 28.229 4.134 1.00 20.51 H new ATOM 0 HG2 LYS A 196 12.011 30.420 3.502 1.00 51.31 H new ATOM 0 HG3 LYS A 196 10.305 30.246 3.141 1.00 51.31 H new ATOM 0 HD2 LYS A 196 9.643 31.675 4.838 1.00 13.40 H new ATOM 0 HD3 LYS A 196 10.962 31.216 5.897 1.00 13.40 H new ATOM 0 HE2 LYS A 196 11.313 32.935 3.400 1.00 13.14 H new ATOM 0 HE3 LYS A 196 11.088 33.591 5.009 1.00 13.14 H new ATOM 0 HZ1 LYS A 196 13.365 33.570 4.693 1.00 11.14 H new ATOM 0 HZ2 LYS A 196 13.095 32.184 5.636 1.00 11.14 H new ATOM 0 HZ3 LYS A 196 13.369 32.035 3.967 1.00 11.14 H new ATOM 378 N GLN A 197 8.658 26.069 5.346 1.00 54.34 N ATOM 379 CA GLN A 197 8.597 24.678 5.766 1.00 31.24 C ATOM 380 C GLN A 197 7.447 24.011 5.012 1.00 14.24 C ATOM 381 O GLN A 197 6.315 23.979 5.500 1.00 54.12 O ATOM 382 CB GLN A 197 8.448 24.607 7.296 1.00 52.12 C ATOM 383 CG GLN A 197 8.592 23.168 7.803 1.00 43.43 C ATOM 384 CD GLN A 197 8.468 23.084 9.319 1.00 62.31 C ATOM 385 OE1 GLN A 197 7.394 22.827 9.854 1.00 22.03 O ATOM 386 NE2 GLN A 197 9.535 23.267 10.069 1.00 44.20 N ATOM 0 H GLN A 197 7.754 26.436 5.049 1.00 54.34 H new ATOM 0 HA GLN A 197 9.514 24.140 5.525 1.00 31.24 H new ATOM 0 HB2 GLN A 197 9.202 25.238 7.767 1.00 52.12 H new ATOM 0 HB3 GLN A 197 7.475 25.002 7.588 1.00 52.12 H new ATOM 0 HG2 GLN A 197 7.828 22.542 7.341 1.00 43.43 H new ATOM 0 HG3 GLN A 197 9.559 22.770 7.495 1.00 43.43 H new ATOM 0 HE21 GLN A 197 10.433 23.481 9.635 1.00 44.20 H new ATOM 0 HE22 GLN A 197 9.464 23.195 11.084 1.00 44.20 H new ATOM 395 N SER A 198 7.722 23.542 3.796 1.00 41.44 N ATOM 396 CA SER A 198 6.782 22.787 2.975 1.00 54.41 C ATOM 397 C SER A 198 7.541 22.110 1.831 1.00 63.14 C ATOM 398 O SER A 198 7.338 22.415 0.654 1.00 14.14 O ATOM 399 CB SER A 198 5.629 23.685 2.491 1.00 23.42 C ATOM 400 OG SER A 198 6.086 24.954 2.044 1.00 4.34 O ATOM 0 H SER A 198 8.626 23.681 3.345 1.00 41.44 H new ATOM 0 HA SER A 198 6.315 22.002 3.570 1.00 54.41 H new ATOM 0 HB2 SER A 198 5.098 23.186 1.680 1.00 23.42 H new ATOM 0 HB3 SER A 198 4.914 23.824 3.302 1.00 23.42 H new ATOM 0 HG SER A 198 5.356 25.605 2.106 1.00 4.34 H new ATOM 406 N LYS A 199 8.470 21.217 2.181 1.00 11.23 N ATOM 407 CA LYS A 199 9.260 20.452 1.219 1.00 2.21 C ATOM 408 C LYS A 199 9.259 18.977 1.633 1.00 2.30 C ATOM 409 O LYS A 199 10.240 18.513 2.220 1.00 75.01 O ATOM 410 CB LYS A 199 10.677 21.040 1.088 1.00 55.42 C ATOM 411 CG LYS A 199 10.646 22.446 0.469 1.00 60.32 C ATOM 412 CD LYS A 199 12.027 23.057 0.232 1.00 62.24 C ATOM 413 CE LYS A 199 12.782 23.263 1.552 1.00 63.50 C ATOM 414 NZ LYS A 199 13.735 24.386 1.467 1.00 45.33 N1+ ATOM 0 H LYS A 199 8.696 21.004 3.153 1.00 11.23 H new ATOM 0 HA LYS A 199 8.814 20.519 0.227 1.00 2.21 H new ATOM 0 HB2 LYS A 199 11.147 21.084 2.071 1.00 55.42 H new ATOM 0 HB3 LYS A 199 11.290 20.383 0.471 1.00 55.42 H new ATOM 0 HG2 LYS A 199 10.113 22.401 -0.481 1.00 60.32 H new ATOM 0 HG3 LYS A 199 10.076 23.106 1.123 1.00 60.32 H new ATOM 0 HD2 LYS A 199 12.607 22.407 -0.423 1.00 62.24 H new ATOM 0 HD3 LYS A 199 11.921 24.013 -0.281 1.00 62.24 H new ATOM 0 HE2 LYS A 199 12.068 23.452 2.354 1.00 63.50 H new ATOM 0 HE3 LYS A 199 13.318 22.350 1.811 1.00 63.50 H new ATOM 0 HZ1 LYS A 199 14.226 24.494 2.377 1.00 45.33 H new ATOM 0 HZ2 LYS A 199 14.431 24.194 0.719 1.00 45.33 H new ATOM 0 HZ3 LYS A 199 13.220 25.262 1.245 1.00 45.33 H new ATOM 428 N PRO A 200 8.176 18.231 1.359 1.00 22.33 N ATOM 429 CA PRO A 200 8.160 16.777 1.477 1.00 61.21 C ATOM 430 C PRO A 200 8.976 16.142 0.336 1.00 63.15 C ATOM 431 O PRO A 200 9.719 16.834 -0.366 1.00 70.42 O ATOM 432 CB PRO A 200 6.673 16.419 1.458 1.00 43.42 C ATOM 433 CG PRO A 200 6.071 17.458 0.516 1.00 75.53 C ATOM 434 CD PRO A 200 6.913 18.704 0.801 1.00 21.14 C ATOM 0 HA PRO A 200 8.629 16.396 2.384 1.00 61.21 H new ATOM 0 HB2 PRO A 200 6.509 15.404 1.095 1.00 43.42 H new ATOM 0 HB3 PRO A 200 6.233 16.477 2.454 1.00 43.42 H new ATOM 0 HG2 PRO A 200 6.145 17.150 -0.527 1.00 75.53 H new ATOM 0 HG3 PRO A 200 5.014 17.628 0.723 1.00 75.53 H new ATOM 0 HD2 PRO A 200 7.082 19.275 -0.112 1.00 21.14 H new ATOM 0 HD3 PRO A 200 6.403 19.365 1.501 1.00 21.14 H new ATOM 442 N LEU A 201 8.871 14.826 0.137 1.00 44.43 N ATOM 443 CA LEU A 201 9.527 14.094 -0.951 1.00 11.42 C ATOM 444 C LEU A 201 8.509 13.648 -1.992 1.00 51.40 C ATOM 445 O LEU A 201 7.387 13.289 -1.634 1.00 54.24 O ATOM 446 CB LEU A 201 10.225 12.844 -0.397 1.00 24.05 C ATOM 447 CG LEU A 201 11.621 13.109 0.183 1.00 44.05 C ATOM 448 CD1 LEU A 201 12.158 11.763 0.665 1.00 42.43 C ATOM 449 CD2 LEU A 201 12.570 13.690 -0.872 1.00 3.33 C ATOM 0 H LEU A 201 8.313 14.224 0.743 1.00 44.43 H new ATOM 0 HA LEU A 201 10.254 14.762 -1.412 1.00 11.42 H new ATOM 0 HB2 LEU A 201 9.598 12.406 0.380 1.00 24.05 H new ATOM 0 HB3 LEU A 201 10.309 12.105 -1.194 1.00 24.05 H new ATOM 0 HG LEU A 201 11.555 13.837 0.992 1.00 44.05 H new ATOM 0 HD11 LEU A 201 13.153 11.899 1.088 1.00 42.43 H new ATOM 0 HD12 LEU A 201 11.492 11.357 1.427 1.00 42.43 H new ATOM 0 HD13 LEU A 201 12.212 11.071 -0.175 1.00 42.43 H new ATOM 0 HD21 LEU A 201 13.548 13.864 -0.425 1.00 3.33 H new ATOM 0 HD22 LEU A 201 12.669 12.987 -1.699 1.00 3.33 H new ATOM 0 HD23 LEU A 201 12.168 14.632 -1.244 1.00 3.33 H new ATOM 461 N PHE A 202 8.920 13.596 -3.264 1.00 5.10 N ATOM 462 CA PHE A 202 8.058 13.169 -4.365 1.00 64.12 C ATOM 463 C PHE A 202 8.792 12.388 -5.470 1.00 52.51 C ATOM 464 O PHE A 202 8.260 12.261 -6.579 1.00 4.24 O ATOM 465 CB PHE A 202 7.294 14.386 -4.913 1.00 64.31 C ATOM 466 CG PHE A 202 5.891 14.088 -5.399 1.00 42.43 C ATOM 467 CD1 PHE A 202 4.884 13.770 -4.469 1.00 65.05 C ATOM 468 CD2 PHE A 202 5.571 14.192 -6.765 1.00 30.41 C ATOM 469 CE1 PHE A 202 3.563 13.561 -4.901 1.00 14.43 C ATOM 470 CE2 PHE A 202 4.251 13.983 -7.197 1.00 24.05 C ATOM 471 CZ PHE A 202 3.246 13.667 -6.265 1.00 35.32 C ATOM 0 H PHE A 202 9.863 13.850 -3.557 1.00 5.10 H new ATOM 0 HA PHE A 202 7.346 12.448 -3.963 1.00 64.12 H new ATOM 0 HB2 PHE A 202 7.240 15.145 -4.133 1.00 64.31 H new ATOM 0 HB3 PHE A 202 7.865 14.816 -5.736 1.00 64.31 H new ATOM 0 HD1 PHE A 202 5.127 13.686 -3.420 1.00 65.05 H new ATOM 0 HD2 PHE A 202 6.341 14.433 -7.482 1.00 30.41 H new ATOM 0 HE1 PHE A 202 2.792 13.319 -4.184 1.00 14.43 H new ATOM 0 HE2 PHE A 202 4.007 14.065 -8.246 1.00 24.05 H new ATOM 0 HZ PHE A 202 2.231 13.506 -6.598 1.00 35.32 H new ATOM 481 N SER A 203 9.992 11.864 -5.182 1.00 15.14 N ATOM 482 CA SER A 203 10.894 11.268 -6.175 1.00 33.33 C ATOM 483 C SER A 203 11.143 9.758 -5.986 1.00 3.11 C ATOM 484 O SER A 203 11.748 9.109 -6.844 1.00 43.21 O ATOM 485 CB SER A 203 12.201 12.070 -6.167 1.00 34.23 C ATOM 486 OG SER A 203 12.876 12.002 -7.395 1.00 54.15 O ATOM 0 H SER A 203 10.369 11.843 -4.234 1.00 15.14 H new ATOM 0 HA SER A 203 10.410 11.329 -7.150 1.00 33.33 H new ATOM 0 HB2 SER A 203 11.984 13.112 -5.932 1.00 34.23 H new ATOM 0 HB3 SER A 203 12.851 11.694 -5.377 1.00 34.23 H new ATOM 0 HG SER A 203 13.701 12.528 -7.344 1.00 54.15 H new ATOM 492 N ASN A 204 10.647 9.162 -4.898 1.00 33.34 N ATOM 493 CA ASN A 204 10.904 7.757 -4.564 1.00 23.22 C ATOM 494 C ASN A 204 9.773 6.821 -5.004 1.00 63.13 C ATOM 495 O ASN A 204 9.998 5.672 -5.378 1.00 34.55 O ATOM 496 CB ASN A 204 11.180 7.629 -3.057 1.00 43.13 C ATOM 497 CG ASN A 204 11.522 6.192 -2.681 1.00 52.12 C ATOM 498 OD1 ASN A 204 10.630 5.384 -2.453 1.00 12.14 O ATOM 499 ND2 ASN A 204 12.793 5.830 -2.637 1.00 65.03 N ATOM 0 H ASN A 204 10.054 9.642 -4.221 1.00 33.34 H new ATOM 0 HA ASN A 204 11.785 7.440 -5.123 1.00 23.22 H new ATOM 0 HB2 ASN A 204 12.003 8.287 -2.778 1.00 43.13 H new ATOM 0 HB3 ASN A 204 10.305 7.957 -2.495 1.00 43.13 H new ATOM 0 HD21 ASN A 204 13.041 4.867 -2.411 1.00 65.03 H new ATOM 0 HD22 ASN A 204 13.525 6.514 -2.829 1.00 65.03 H new ATOM 506 N LYS A 205 8.542 7.312 -4.992 1.00 32.23 N ATOM 507 CA LYS A 205 7.312 6.556 -5.239 1.00 5.31 C ATOM 508 C LYS A 205 6.513 7.296 -6.293 1.00 74.31 C ATOM 509 O LYS A 205 5.783 8.226 -5.956 1.00 44.22 O ATOM 510 CB LYS A 205 6.519 6.412 -3.929 1.00 4.33 C ATOM 511 CG LYS A 205 6.960 5.195 -3.107 1.00 24.12 C ATOM 512 CD LYS A 205 6.738 5.365 -1.599 1.00 43.10 C ATOM 513 CE LYS A 205 5.363 5.908 -1.184 1.00 53.42 C ATOM 514 NZ LYS A 205 4.252 4.998 -1.530 1.00 41.42 N1+ ATOM 0 H LYS A 205 8.360 8.297 -4.801 1.00 32.23 H new ATOM 0 HA LYS A 205 7.536 5.551 -5.597 1.00 5.31 H new ATOM 0 HB2 LYS A 205 6.644 7.315 -3.331 1.00 4.33 H new ATOM 0 HB3 LYS A 205 5.457 6.326 -4.158 1.00 4.33 H new ATOM 0 HG2 LYS A 205 6.413 4.317 -3.450 1.00 24.12 H new ATOM 0 HG3 LYS A 205 8.017 5.005 -3.292 1.00 24.12 H new ATOM 0 HD2 LYS A 205 6.887 4.398 -1.118 1.00 43.10 H new ATOM 0 HD3 LYS A 205 7.505 6.036 -1.211 1.00 43.10 H new ATOM 0 HE2 LYS A 205 5.358 6.085 -0.108 1.00 53.42 H new ATOM 0 HE3 LYS A 205 5.199 6.872 -1.666 1.00 53.42 H new ATOM 0 HZ1 LYS A 205 3.351 5.419 -1.225 1.00 41.42 H new ATOM 0 HZ2 LYS A 205 4.234 4.848 -2.559 1.00 41.42 H new ATOM 0 HZ3 LYS A 205 4.388 4.086 -1.050 1.00 41.42 H new ATOM 528 N ARG A 206 6.662 6.915 -7.566 1.00 72.04 N ATOM 529 CA ARG A 206 6.067 7.656 -8.677 1.00 44.22 C ATOM 530 C ARG A 206 4.545 7.716 -8.533 1.00 14.02 C ATOM 531 O ARG A 206 3.982 8.740 -8.155 1.00 71.11 O ATOM 532 CB ARG A 206 6.538 7.061 -10.017 1.00 34.22 C ATOM 533 CG ARG A 206 6.677 8.133 -11.104 1.00 44.22 C ATOM 534 CD ARG A 206 8.044 8.826 -11.088 1.00 73.05 C ATOM 535 NE ARG A 206 9.137 7.868 -11.336 1.00 44.20 N ATOM 536 CZ ARG A 206 9.420 7.301 -12.515 1.00 1.34 C ATOM 537 NH1 ARG A 206 8.854 7.753 -13.627 1.00 3.11 N1+ ATOM 538 NH2 ARG A 206 10.258 6.278 -12.588 1.00 20.34 N ATOM 0 H ARG A 206 7.193 6.092 -7.851 1.00 72.04 H new ATOM 0 HA ARG A 206 6.409 8.691 -8.657 1.00 44.22 H new ATOM 0 HB2 ARG A 206 7.497 6.562 -9.875 1.00 34.22 H new ATOM 0 HB3 ARG A 206 5.829 6.301 -10.346 1.00 34.22 H new ATOM 0 HG2 ARG A 206 6.519 7.675 -12.081 1.00 44.22 H new ATOM 0 HG3 ARG A 206 5.895 8.881 -10.972 1.00 44.22 H new ATOM 0 HD2 ARG A 206 8.065 9.609 -11.846 1.00 73.05 H new ATOM 0 HD3 ARG A 206 8.196 9.312 -10.124 1.00 73.05 H new ATOM 0 HE ARG A 206 9.727 7.616 -10.543 1.00 44.20 H new ATOM 0 HH11 ARG A 206 8.201 8.535 -13.585 1.00 3.11 H new ATOM 0 HH12 ARG A 206 9.072 7.318 -14.523 1.00 3.11 H new ATOM 0 HH21 ARG A 206 10.695 5.915 -11.741 1.00 20.34 H new ATOM 0 HH22 ARG A 206 10.467 5.853 -13.492 1.00 20.34 H new ATOM 552 N LYS A 207 3.892 6.596 -8.828 1.00 13.45 N ATOM 553 CA LYS A 207 2.467 6.325 -8.681 1.00 44.04 C ATOM 554 C LYS A 207 2.222 4.820 -8.513 1.00 62.01 C ATOM 555 O LYS A 207 1.103 4.347 -8.693 1.00 42.43 O ATOM 556 CB LYS A 207 1.691 6.912 -9.882 1.00 24.21 C ATOM 557 CG LYS A 207 1.232 8.345 -9.582 1.00 43.43 C ATOM 558 CD LYS A 207 -0.032 8.744 -10.349 1.00 14.11 C ATOM 559 CE LYS A 207 0.248 8.973 -11.837 1.00 12.52 C ATOM 560 NZ LYS A 207 -0.919 9.583 -12.506 1.00 13.51 N1+ ATOM 0 H LYS A 207 4.387 5.789 -9.207 1.00 13.45 H new ATOM 0 HA LYS A 207 2.097 6.813 -7.779 1.00 44.04 H new ATOM 0 HB2 LYS A 207 2.325 6.906 -10.769 1.00 24.21 H new ATOM 0 HB3 LYS A 207 0.826 6.287 -10.104 1.00 24.21 H new ATOM 0 HG2 LYS A 207 1.047 8.445 -8.512 1.00 43.43 H new ATOM 0 HG3 LYS A 207 2.036 9.037 -9.833 1.00 43.43 H new ATOM 0 HD2 LYS A 207 -0.785 7.964 -10.238 1.00 14.11 H new ATOM 0 HD3 LYS A 207 -0.448 9.653 -9.914 1.00 14.11 H new ATOM 0 HE2 LYS A 207 1.117 9.620 -11.952 1.00 12.52 H new ATOM 0 HE3 LYS A 207 0.491 8.024 -12.315 1.00 12.52 H new ATOM 0 HZ1 LYS A 207 -0.705 9.728 -13.513 1.00 13.51 H new ATOM 0 HZ2 LYS A 207 -1.741 8.952 -12.414 1.00 13.51 H new ATOM 0 HZ3 LYS A 207 -1.134 10.499 -12.062 1.00 13.51 H new ATOM 574 N ILE A 208 3.263 4.040 -8.233 1.00 1.30 N ATOM 575 CA ILE A 208 3.246 2.590 -8.336 1.00 11.50 C ATOM 576 C ILE A 208 3.690 2.025 -6.989 1.00 21.22 C ATOM 577 O ILE A 208 4.447 2.671 -6.255 1.00 5.12 O ATOM 578 CB ILE A 208 4.102 2.161 -9.558 1.00 32.34 C ATOM 579 CG1 ILE A 208 3.518 2.692 -10.891 1.00 21.11 C ATOM 580 CG2 ILE A 208 4.168 0.640 -9.681 1.00 34.12 C ATOM 581 CD1 ILE A 208 4.184 3.969 -11.408 1.00 64.43 C ATOM 0 H ILE A 208 4.161 4.411 -7.921 1.00 1.30 H new ATOM 0 HA ILE A 208 2.254 2.182 -8.529 1.00 11.50 H new ATOM 0 HB ILE A 208 5.092 2.582 -9.386 1.00 32.34 H new ATOM 0 HG12 ILE A 208 3.612 1.915 -11.650 1.00 21.11 H new ATOM 0 HG13 ILE A 208 2.453 2.881 -10.758 1.00 21.11 H new ATOM 0 HG21 ILE A 208 4.774 0.371 -10.546 1.00 34.12 H new ATOM 0 HG22 ILE A 208 4.615 0.221 -8.780 1.00 34.12 H new ATOM 0 HG23 ILE A 208 3.161 0.241 -9.805 1.00 34.12 H new ATOM 0 HD11 ILE A 208 3.715 4.271 -12.344 1.00 64.43 H new ATOM 0 HD12 ILE A 208 4.068 4.764 -10.671 1.00 64.43 H new ATOM 0 HD13 ILE A 208 5.245 3.783 -11.577 1.00 64.43 H new ATOM 593 N HIS A 209 3.167 0.847 -6.641 1.00 41.32 N ATOM 594 CA HIS A 209 3.519 0.121 -5.432 1.00 63.01 C ATOM 595 C HIS A 209 4.636 -0.889 -5.730 1.00 55.52 C ATOM 596 O HIS A 209 5.001 -1.115 -6.888 1.00 14.34 O ATOM 597 CB HIS A 209 2.267 -0.566 -4.844 1.00 3.24 C ATOM 598 CG HIS A 209 1.977 -0.167 -3.416 1.00 14.44 C ATOM 599 ND1 HIS A 209 1.894 1.122 -2.933 1.00 43.42 N ATOM 600 CD2 HIS A 209 1.721 -1.013 -2.370 1.00 41.34 C ATOM 601 CE1 HIS A 209 1.624 1.062 -1.622 1.00 35.43 C ATOM 602 NE2 HIS A 209 1.475 -0.219 -1.242 1.00 2.45 N ATOM 0 H HIS A 209 2.471 0.365 -7.210 1.00 41.32 H new ATOM 0 HA HIS A 209 3.896 0.820 -4.685 1.00 63.01 H new ATOM 0 HB2 HIS A 209 1.404 -0.323 -5.464 1.00 3.24 H new ATOM 0 HB3 HIS A 209 2.399 -1.647 -4.891 1.00 3.24 H new ATOM 0 HD2 HIS A 209 1.711 -2.092 -2.408 1.00 41.34 H new ATOM 0 HE1 HIS A 209 1.539 1.917 -0.967 1.00 35.43 H new ATOM 0 HE2 HIS A 209 1.229 -0.550 -0.309 1.00 2.45 H new ATOM 610 N LEU A 210 5.151 -1.531 -4.683 1.00 24.30 N ATOM 611 CA LEU A 210 6.293 -2.443 -4.731 1.00 74.33 C ATOM 612 C LEU A 210 6.153 -3.518 -5.811 1.00 64.15 C ATOM 613 O LEU A 210 7.084 -3.747 -6.578 1.00 4.22 O ATOM 614 CB LEU A 210 6.517 -3.069 -3.340 1.00 35.43 C ATOM 615 CG LEU A 210 7.966 -3.037 -2.824 1.00 23.31 C ATOM 616 CD1 LEU A 210 8.940 -3.748 -3.765 1.00 42.23 C ATOM 617 CD2 LEU A 210 8.419 -1.597 -2.553 1.00 61.45 C ATOM 0 H LEU A 210 4.770 -1.427 -3.743 1.00 24.30 H new ATOM 0 HA LEU A 210 7.170 -1.858 -5.008 1.00 74.33 H new ATOM 0 HB2 LEU A 210 5.882 -2.551 -2.621 1.00 35.43 H new ATOM 0 HB3 LEU A 210 6.183 -4.106 -3.370 1.00 35.43 H new ATOM 0 HG LEU A 210 7.978 -3.588 -1.884 1.00 23.31 H new ATOM 0 HD11 LEU A 210 9.948 -3.695 -3.353 1.00 42.23 H new ATOM 0 HD12 LEU A 210 8.646 -4.792 -3.872 1.00 42.23 H new ATOM 0 HD13 LEU A 210 8.922 -3.264 -4.741 1.00 42.23 H new ATOM 0 HD21 LEU A 210 9.446 -1.601 -2.189 1.00 61.45 H new ATOM 0 HD22 LEU A 210 8.363 -1.018 -3.475 1.00 61.45 H new ATOM 0 HD23 LEU A 210 7.770 -1.147 -1.802 1.00 61.45 H new ATOM 629 N SER A 211 4.964 -4.105 -5.919 1.00 3.02 N ATOM 630 CA SER A 211 4.588 -5.094 -6.932 1.00 64.31 C ATOM 631 C SER A 211 3.335 -4.622 -7.671 1.00 54.04 C ATOM 632 O SER A 211 2.413 -5.394 -7.913 1.00 2.11 O ATOM 633 CB SER A 211 4.402 -6.469 -6.278 1.00 73.53 C ATOM 634 OG SER A 211 5.604 -6.857 -5.642 1.00 23.32 O ATOM 0 H SER A 211 4.201 -3.897 -5.275 1.00 3.02 H new ATOM 0 HA SER A 211 5.383 -5.196 -7.670 1.00 64.31 H new ATOM 0 HB2 SER A 211 3.590 -6.431 -5.552 1.00 73.53 H new ATOM 0 HB3 SER A 211 4.122 -7.206 -7.031 1.00 73.53 H new ATOM 0 HG SER A 211 5.484 -7.735 -5.223 1.00 23.32 H new ATOM 640 N GLU A 212 3.253 -3.321 -7.959 1.00 61.43 N ATOM 641 CA GLU A 212 2.176 -2.684 -8.720 1.00 71.32 C ATOM 642 C GLU A 212 0.781 -2.750 -8.082 1.00 51.54 C ATOM 643 O GLU A 212 -0.165 -2.233 -8.666 1.00 40.14 O ATOM 644 CB GLU A 212 2.168 -3.167 -10.187 1.00 52.21 C ATOM 645 CG GLU A 212 2.206 -1.957 -11.126 1.00 41.53 C ATOM 646 CD GLU A 212 2.004 -2.303 -12.596 1.00 31.35 C ATOM 647 OE1 GLU A 212 3.044 -2.568 -13.255 1.00 24.25 O1- ATOM 648 OE2 GLU A 212 0.855 -2.193 -13.075 1.00 43.43 O ATOM 0 H GLU A 212 3.964 -2.656 -7.656 1.00 61.43 H new ATOM 0 HA GLU A 212 2.416 -1.621 -8.700 1.00 71.32 H new ATOM 0 HB2 GLU A 212 3.027 -3.812 -10.373 1.00 52.21 H new ATOM 0 HB3 GLU A 212 1.275 -3.762 -10.380 1.00 52.21 H new ATOM 0 HG2 GLU A 212 1.435 -1.250 -10.821 1.00 41.53 H new ATOM 0 HG3 GLU A 212 3.165 -1.452 -11.011 1.00 41.53 H new ATOM 655 N LEU A 213 0.646 -3.335 -6.888 1.00 24.44 N ATOM 656 CA LEU A 213 -0.613 -3.558 -6.181 1.00 44.23 C ATOM 657 C LEU A 213 -1.506 -2.313 -6.196 1.00 32.50 C ATOM 658 O LEU A 213 -1.043 -1.215 -5.886 1.00 52.31 O ATOM 659 CB LEU A 213 -0.343 -4.003 -4.732 1.00 53.53 C ATOM 660 CG LEU A 213 -0.586 -5.496 -4.457 1.00 40.33 C ATOM 661 CD1 LEU A 213 -1.977 -5.969 -4.891 1.00 1.01 C ATOM 662 CD2 LEU A 213 0.494 -6.374 -5.092 1.00 32.21 C ATOM 0 H LEU A 213 1.451 -3.681 -6.366 1.00 24.44 H new ATOM 0 HA LEU A 213 -1.146 -4.351 -6.706 1.00 44.23 H new ATOM 0 HB2 LEU A 213 0.691 -3.766 -4.481 1.00 53.53 H new ATOM 0 HB3 LEU A 213 -0.975 -3.418 -4.064 1.00 53.53 H new ATOM 0 HG LEU A 213 -0.532 -5.605 -3.374 1.00 40.33 H new ATOM 0 HD11 LEU A 213 -2.086 -7.031 -4.670 1.00 1.01 H new ATOM 0 HD12 LEU A 213 -2.738 -5.406 -4.350 1.00 1.01 H new ATOM 0 HD13 LEU A 213 -2.099 -5.807 -5.962 1.00 1.01 H new ATOM 0 HD21 LEU A 213 0.286 -7.422 -4.874 1.00 32.21 H new ATOM 0 HD22 LEU A 213 0.499 -6.222 -6.171 1.00 32.21 H new ATOM 0 HD23 LEU A 213 1.468 -6.105 -4.683 1.00 32.21 H new ATOM 674 N MET A 214 -2.789 -2.489 -6.531 1.00 0.24 N ATOM 675 CA MET A 214 -3.723 -1.401 -6.800 1.00 32.05 C ATOM 676 C MET A 214 -5.022 -1.546 -6.007 1.00 23.33 C ATOM 677 O MET A 214 -5.974 -2.153 -6.498 1.00 53.34 O ATOM 678 CB MET A 214 -3.924 -1.149 -8.309 1.00 13.22 C ATOM 679 CG MET A 214 -2.904 -0.186 -8.919 1.00 41.51 C ATOM 680 SD MET A 214 -2.904 1.485 -8.227 1.00 21.51 S ATOM 681 CE MET A 214 -1.841 2.283 -9.453 1.00 63.42 C ATOM 0 H MET A 214 -3.211 -3.413 -6.623 1.00 0.24 H new ATOM 0 HA MET A 214 -3.264 -0.485 -6.428 1.00 32.05 H new ATOM 0 HB2 MET A 214 -3.870 -2.101 -8.837 1.00 13.22 H new ATOM 0 HB3 MET A 214 -4.926 -0.751 -8.470 1.00 13.22 H new ATOM 0 HG2 MET A 214 -1.908 -0.612 -8.795 1.00 41.51 H new ATOM 0 HG3 MET A 214 -3.090 -0.117 -9.991 1.00 41.51 H new ATOM 0 HE1 MET A 214 -1.718 3.335 -9.198 1.00 63.42 H new ATOM 0 HE2 MET A 214 -0.866 1.795 -9.462 1.00 63.42 H new ATOM 0 HE3 MET A 214 -2.297 2.200 -10.439 1.00 63.42 H new ATOM 691 N LEU A 215 -5.030 -1.008 -4.779 1.00 34.21 N ATOM 692 CA LEU A 215 -6.088 -1.109 -3.768 1.00 73.12 C ATOM 693 C LEU A 215 -7.312 -0.259 -4.114 1.00 63.53 C ATOM 694 O LEU A 215 -8.289 -0.775 -4.649 1.00 4.22 O ATOM 695 CB LEU A 215 -5.522 -0.711 -2.385 1.00 11.32 C ATOM 696 CG LEU A 215 -6.580 -0.844 -1.267 1.00 5.51 C ATOM 697 CD1 LEU A 215 -6.274 -2.014 -0.337 1.00 20.01 C ATOM 698 CD2 LEU A 215 -6.688 0.435 -0.440 1.00 75.40 C ATOM 0 H LEU A 215 -4.242 -0.453 -4.445 1.00 34.21 H new ATOM 0 HA LEU A 215 -6.425 -2.145 -3.743 1.00 73.12 H new ATOM 0 HB2 LEU A 215 -4.664 -1.341 -2.149 1.00 11.32 H new ATOM 0 HB3 LEU A 215 -5.162 0.317 -2.423 1.00 11.32 H new ATOM 0 HG LEU A 215 -7.531 -1.027 -1.766 1.00 5.51 H new ATOM 0 HD11 LEU A 215 -7.040 -2.075 0.436 1.00 20.01 H new ATOM 0 HD12 LEU A 215 -6.263 -2.941 -0.910 1.00 20.01 H new ATOM 0 HD13 LEU A 215 -5.300 -1.863 0.129 1.00 20.01 H new ATOM 0 HD21 LEU A 215 -7.442 0.304 0.336 1.00 75.40 H new ATOM 0 HD22 LEU A 215 -5.725 0.652 0.022 1.00 75.40 H new ATOM 0 HD23 LEU A 215 -6.974 1.264 -1.087 1.00 75.40 H new ATOM 710 N GLU A 216 -7.282 1.024 -3.766 1.00 42.34 N ATOM 711 CA GLU A 216 -8.319 2.042 -3.919 1.00 21.22 C ATOM 712 C GLU A 216 -9.732 1.718 -3.392 1.00 61.20 C ATOM 713 O GLU A 216 -10.650 2.517 -3.586 1.00 11.33 O ATOM 714 CB GLU A 216 -8.322 2.550 -5.370 1.00 25.21 C ATOM 715 CG GLU A 216 -6.984 3.197 -5.784 1.00 54.02 C ATOM 716 CD GLU A 216 -7.103 4.015 -7.073 1.00 1.13 C ATOM 717 OE1 GLU A 216 -8.151 4.673 -7.267 1.00 13.22 O ATOM 718 OE2 GLU A 216 -6.152 4.045 -7.892 1.00 44.35 O1- ATOM 0 H GLU A 216 -6.449 1.416 -3.326 1.00 42.34 H new ATOM 0 HA GLU A 216 -8.031 2.838 -3.232 1.00 21.22 H new ATOM 0 HB2 GLU A 216 -8.540 1.718 -6.040 1.00 25.21 H new ATOM 0 HB3 GLU A 216 -9.125 3.277 -5.493 1.00 25.21 H new ATOM 0 HG2 GLU A 216 -6.632 3.842 -4.979 1.00 54.02 H new ATOM 0 HG3 GLU A 216 -6.234 2.418 -5.920 1.00 54.02 H new ATOM 725 N LYS A 217 -9.941 0.585 -2.714 1.00 71.23 N ATOM 726 CA LYS A 217 -11.230 0.114 -2.207 1.00 24.12 C ATOM 727 C LYS A 217 -10.925 -0.907 -1.119 1.00 41.53 C ATOM 728 O LYS A 217 -9.968 -1.675 -1.244 1.00 65.12 O ATOM 729 CB LYS A 217 -12.038 -0.575 -3.333 1.00 63.53 C ATOM 730 CG LYS A 217 -13.099 0.334 -3.976 1.00 33.31 C ATOM 731 CD LYS A 217 -13.733 -0.276 -5.235 1.00 21.23 C ATOM 732 CE LYS A 217 -14.430 -1.629 -5.030 1.00 11.23 C ATOM 733 NZ LYS A 217 -15.601 -1.548 -4.136 1.00 34.23 N1+ ATOM 0 H LYS A 217 -9.180 -0.057 -2.495 1.00 71.23 H new ATOM 0 HA LYS A 217 -11.819 0.950 -1.828 1.00 24.12 H new ATOM 0 HB2 LYS A 217 -11.349 -0.918 -4.105 1.00 63.53 H new ATOM 0 HB3 LYS A 217 -12.528 -1.460 -2.927 1.00 63.53 H new ATOM 0 HG2 LYS A 217 -13.882 0.541 -3.246 1.00 33.31 H new ATOM 0 HG3 LYS A 217 -12.642 1.290 -4.233 1.00 33.31 H new ATOM 0 HD2 LYS A 217 -14.460 0.431 -5.635 1.00 21.23 H new ATOM 0 HD3 LYS A 217 -12.957 -0.397 -5.990 1.00 21.23 H new ATOM 0 HE2 LYS A 217 -14.746 -2.018 -5.998 1.00 11.23 H new ATOM 0 HE3 LYS A 217 -13.715 -2.341 -4.618 1.00 11.23 H new ATOM 0 HZ1 LYS A 217 -16.325 -2.226 -4.450 1.00 34.23 H new ATOM 0 HZ2 LYS A 217 -15.312 -1.776 -3.163 1.00 34.23 H new ATOM 0 HZ3 LYS A 217 -15.993 -0.585 -4.164 1.00 34.23 H new ATOM 747 N CYS A 218 -11.755 -0.976 -0.083 1.00 72.34 N ATOM 748 CA CYS A 218 -11.671 -2.002 0.944 1.00 52.25 C ATOM 749 C CYS A 218 -13.091 -2.339 1.418 1.00 53.24 C ATOM 750 O CYS A 218 -13.569 -1.708 2.362 1.00 3.44 O ATOM 751 CB CYS A 218 -10.729 -1.513 2.053 1.00 41.44 C ATOM 752 SG CYS A 218 -10.337 -2.887 3.182 1.00 24.22 S ATOM 0 H CYS A 218 -12.514 -0.311 0.066 1.00 72.34 H new ATOM 0 HA CYS A 218 -11.244 -2.932 0.568 1.00 52.25 H new ATOM 0 HB2 CYS A 218 -9.812 -1.117 1.616 1.00 41.44 H new ATOM 0 HB3 CYS A 218 -11.196 -0.698 2.606 1.00 41.44 H new ATOM 0 HG CYS A 218 -11.433 -3.330 3.723 1.00 24.22 H new ATOM 758 N PRO A 219 -13.815 -3.251 0.735 1.00 2.24 N ATOM 759 CA PRO A 219 -15.149 -3.684 1.145 1.00 23.03 C ATOM 760 C PRO A 219 -15.109 -4.691 2.304 1.00 53.55 C ATOM 761 O PRO A 219 -16.087 -4.810 3.043 1.00 51.44 O ATOM 762 CB PRO A 219 -15.757 -4.329 -0.105 1.00 13.32 C ATOM 763 CG PRO A 219 -14.538 -4.919 -0.816 1.00 34.20 C ATOM 764 CD PRO A 219 -13.434 -3.906 -0.512 1.00 63.34 C ATOM 0 HA PRO A 219 -15.734 -2.842 1.514 1.00 23.03 H new ATOM 0 HB2 PRO A 219 -16.486 -5.098 0.152 1.00 13.32 H new ATOM 0 HB3 PRO A 219 -16.272 -3.597 -0.727 1.00 13.32 H new ATOM 0 HG2 PRO A 219 -14.291 -5.910 -0.436 1.00 34.20 H new ATOM 0 HG3 PRO A 219 -14.707 -5.021 -1.888 1.00 34.20 H new ATOM 0 HD2 PRO A 219 -12.468 -4.401 -0.412 1.00 63.34 H new ATOM 0 HD3 PRO A 219 -13.338 -3.180 -1.320 1.00 63.34 H new ATOM 772 N PHE A 220 -14.008 -5.432 2.466 1.00 52.33 N ATOM 773 CA PHE A 220 -13.796 -6.309 3.602 1.00 13.33 C ATOM 774 C PHE A 220 -13.508 -5.456 4.844 1.00 31.11 C ATOM 775 O PHE A 220 -13.043 -4.316 4.709 1.00 61.21 O ATOM 776 CB PHE A 220 -12.636 -7.257 3.271 1.00 12.53 C ATOM 777 CG PHE A 220 -13.026 -8.358 2.307 1.00 53.04 C ATOM 778 CD1 PHE A 220 -13.862 -9.403 2.746 1.00 43.24 C ATOM 779 CD2 PHE A 220 -12.577 -8.337 0.973 1.00 11.32 C ATOM 780 CE1 PHE A 220 -14.249 -10.417 1.855 1.00 24.41 C ATOM 781 CE2 PHE A 220 -12.961 -9.355 0.085 1.00 35.04 C ATOM 782 CZ PHE A 220 -13.800 -10.393 0.526 1.00 24.35 C ATOM 0 H PHE A 220 -13.236 -5.433 1.800 1.00 52.33 H new ATOM 0 HA PHE A 220 -14.680 -6.911 3.812 1.00 13.33 H new ATOM 0 HB2 PHE A 220 -11.815 -6.682 2.843 1.00 12.53 H new ATOM 0 HB3 PHE A 220 -12.265 -7.704 4.193 1.00 12.53 H new ATOM 0 HD1 PHE A 220 -14.206 -9.424 3.770 1.00 43.24 H new ATOM 0 HD2 PHE A 220 -11.936 -7.537 0.632 1.00 11.32 H new ATOM 0 HE1 PHE A 220 -14.893 -11.216 2.193 1.00 24.41 H new ATOM 0 HE2 PHE A 220 -12.612 -9.340 -0.937 1.00 35.04 H new ATOM 0 HZ PHE A 220 -14.099 -11.173 -0.159 1.00 24.35 H new ATOM 792 N PRO A 221 -13.757 -5.988 6.050 1.00 52.42 N ATOM 793 CA PRO A 221 -13.550 -5.266 7.293 1.00 64.02 C ATOM 794 C PRO A 221 -12.059 -5.072 7.559 1.00 52.52 C ATOM 795 O PRO A 221 -11.209 -5.845 7.091 1.00 61.24 O ATOM 796 CB PRO A 221 -14.178 -6.142 8.382 1.00 3.32 C ATOM 797 CG PRO A 221 -13.977 -7.547 7.822 1.00 31.34 C ATOM 798 CD PRO A 221 -14.227 -7.334 6.328 1.00 13.23 C ATOM 0 HA PRO A 221 -13.997 -4.273 7.262 1.00 64.02 H new ATOM 0 HB2 PRO A 221 -13.683 -6.013 9.344 1.00 3.32 H new ATOM 0 HB3 PRO A 221 -15.233 -5.911 8.533 1.00 3.32 H new ATOM 0 HG2 PRO A 221 -12.973 -7.924 8.018 1.00 31.34 H new ATOM 0 HG3 PRO A 221 -14.676 -8.262 8.255 1.00 31.34 H new ATOM 0 HD2 PRO A 221 -13.689 -8.070 5.730 1.00 13.23 H new ATOM 0 HD3 PRO A 221 -15.285 -7.439 6.087 1.00 13.23 H new ATOM 806 N ALA A 222 -11.766 -4.081 8.395 1.00 15.10 N ATOM 807 CA ALA A 222 -10.464 -3.933 9.011 1.00 33.50 C ATOM 808 C ALA A 222 -10.202 -5.170 9.871 1.00 45.31 C ATOM 809 O ALA A 222 -10.952 -5.429 10.812 1.00 5.14 O ATOM 810 CB ALA A 222 -10.441 -2.658 9.854 1.00 54.51 C ATOM 0 H ALA A 222 -12.433 -3.357 8.662 1.00 15.10 H new ATOM 0 HA ALA A 222 -9.682 -3.848 8.256 1.00 33.50 H new ATOM 0 HB1 ALA A 222 -9.461 -2.546 10.318 1.00 54.51 H new ATOM 0 HB2 ALA A 222 -10.641 -1.797 9.217 1.00 54.51 H new ATOM 0 HB3 ALA A 222 -11.204 -2.721 10.629 1.00 54.51 H new ATOM 816 N GLY A 223 -9.169 -5.935 9.535 1.00 72.54 N ATOM 817 CA GLY A 223 -8.664 -7.025 10.353 1.00 54.34 C ATOM 818 C GLY A 223 -8.948 -8.386 9.741 1.00 13.20 C ATOM 819 O GLY A 223 -9.203 -9.335 10.484 1.00 13.51 O ATOM 0 H GLY A 223 -8.650 -5.809 8.666 1.00 72.54 H new ATOM 0 HA2 GLY A 223 -7.589 -6.907 10.488 1.00 54.34 H new ATOM 0 HA3 GLY A 223 -9.117 -6.973 11.343 1.00 54.34 H new ATOM 823 N SER A 224 -8.929 -8.495 8.409 1.00 12.10 N ATOM 824 CA SER A 224 -9.271 -9.720 7.702 1.00 32.34 C ATOM 825 C SER A 224 -8.150 -10.132 6.748 1.00 62.33 C ATOM 826 O SER A 224 -7.618 -9.303 6.008 1.00 52.54 O ATOM 827 CB SER A 224 -10.615 -9.534 6.988 1.00 2.20 C ATOM 828 OG SER A 224 -10.634 -8.402 6.137 1.00 61.34 O ATOM 0 H SER A 224 -8.673 -7.725 7.791 1.00 12.10 H new ATOM 0 HA SER A 224 -9.379 -10.538 8.414 1.00 32.34 H new ATOM 0 HB2 SER A 224 -10.836 -10.426 6.403 1.00 2.20 H new ATOM 0 HB3 SER A 224 -11.406 -9.437 7.732 1.00 2.20 H new ATOM 0 HG SER A 224 -10.841 -7.601 6.663 1.00 61.34 H new ATOM 834 N ASP A 225 -7.818 -11.425 6.716 1.00 61.25 N ATOM 835 CA ASP A 225 -7.015 -12.024 5.641 1.00 53.22 C ATOM 836 C ASP A 225 -7.709 -11.794 4.300 1.00 11.51 C ATOM 837 O ASP A 225 -7.049 -11.550 3.291 1.00 20.21 O ATOM 838 CB ASP A 225 -6.866 -13.545 5.837 1.00 65.42 C ATOM 839 CG ASP A 225 -5.503 -13.945 6.394 1.00 1.12 C ATOM 840 OD1 ASP A 225 -4.484 -13.733 5.702 1.00 54.24 O1- ATOM 841 OD2 ASP A 225 -5.459 -14.491 7.520 1.00 40.32 O ATOM 0 H ASP A 225 -8.098 -12.090 7.436 1.00 61.25 H new ATOM 0 HA ASP A 225 -6.030 -11.557 5.662 1.00 53.22 H new ATOM 0 HB2 ASP A 225 -7.646 -13.896 6.513 1.00 65.42 H new ATOM 0 HB3 ASP A 225 -7.023 -14.046 4.882 1.00 65.42 H new ATOM 846 N LEU A 226 -9.046 -11.877 4.304 1.00 65.13 N ATOM 847 CA LEU A 226 -9.912 -11.800 3.132 1.00 13.44 C ATOM 848 C LEU A 226 -9.561 -10.582 2.282 1.00 72.23 C ATOM 849 O LEU A 226 -9.399 -10.707 1.065 1.00 44.25 O ATOM 850 CB LEU A 226 -11.396 -11.731 3.541 1.00 21.33 C ATOM 851 CG LEU A 226 -11.929 -12.901 4.389 1.00 42.04 C ATOM 852 CD1 LEU A 226 -13.341 -12.583 4.882 1.00 2.14 C ATOM 853 CD2 LEU A 226 -11.963 -14.213 3.605 1.00 31.03 C ATOM 0 H LEU A 226 -9.573 -12.006 5.168 1.00 65.13 H new ATOM 0 HA LEU A 226 -9.752 -12.705 2.546 1.00 13.44 H new ATOM 0 HB2 LEU A 226 -11.554 -10.807 4.097 1.00 21.33 H new ATOM 0 HB3 LEU A 226 -11.997 -11.665 2.634 1.00 21.33 H new ATOM 0 HG LEU A 226 -11.248 -13.025 5.231 1.00 42.04 H new ATOM 0 HD11 LEU A 226 -13.713 -13.414 5.481 1.00 2.14 H new ATOM 0 HD12 LEU A 226 -13.319 -11.679 5.490 1.00 2.14 H new ATOM 0 HD13 LEU A 226 -13.999 -12.429 4.027 1.00 2.14 H new ATOM 0 HD21 LEU A 226 -12.346 -15.009 4.244 1.00 31.03 H new ATOM 0 HD22 LEU A 226 -12.612 -14.101 2.736 1.00 31.03 H new ATOM 0 HD23 LEU A 226 -10.955 -14.466 3.275 1.00 31.03 H new ATOM 865 N ALA A 227 -9.422 -9.429 2.946 1.00 33.13 N ATOM 866 CA ALA A 227 -9.053 -8.154 2.356 1.00 31.51 C ATOM 867 C ALA A 227 -7.779 -8.292 1.520 1.00 61.32 C ATOM 868 O ALA A 227 -7.803 -8.040 0.318 1.00 1.22 O ATOM 869 CB ALA A 227 -8.896 -7.111 3.477 1.00 20.11 C ATOM 0 H ALA A 227 -9.572 -9.365 3.953 1.00 33.13 H new ATOM 0 HA ALA A 227 -9.838 -7.819 1.678 1.00 31.51 H new ATOM 0 HB1 ALA A 227 -8.619 -6.150 3.044 1.00 20.11 H new ATOM 0 HB2 ALA A 227 -9.839 -7.009 4.013 1.00 20.11 H new ATOM 0 HB3 ALA A 227 -8.118 -7.435 4.169 1.00 20.11 H new ATOM 875 N GLN A 228 -6.670 -8.698 2.143 1.00 2.11 N ATOM 876 CA GLN A 228 -5.371 -8.798 1.482 1.00 62.54 C ATOM 877 C GLN A 228 -5.339 -9.893 0.417 1.00 60.13 C ATOM 878 O GLN A 228 -4.822 -9.664 -0.677 1.00 43.54 O ATOM 879 CB GLN A 228 -4.279 -9.033 2.527 1.00 74.33 C ATOM 880 CG GLN A 228 -3.874 -7.708 3.166 1.00 13.33 C ATOM 881 CD GLN A 228 -3.075 -7.902 4.434 1.00 64.54 C ATOM 882 OE1 GLN A 228 -3.619 -7.953 5.526 1.00 5.12 O ATOM 883 NE2 GLN A 228 -1.781 -8.086 4.321 1.00 5.01 N ATOM 0 H GLN A 228 -6.650 -8.968 3.126 1.00 2.11 H new ATOM 0 HA GLN A 228 -5.190 -7.855 0.966 1.00 62.54 H new ATOM 0 HB2 GLN A 228 -4.639 -9.720 3.293 1.00 74.33 H new ATOM 0 HB3 GLN A 228 -3.412 -9.501 2.060 1.00 74.33 H new ATOM 0 HG2 GLN A 228 -3.286 -7.129 2.454 1.00 13.33 H new ATOM 0 HG3 GLN A 228 -4.769 -7.126 3.389 1.00 13.33 H new ATOM 0 HE21 GLN A 228 -1.338 -8.041 3.403 1.00 5.01 H new ATOM 0 HE22 GLN A 228 -1.218 -8.274 5.151 1.00 5.01 H new ATOM 892 N LYS A 229 -5.920 -11.063 0.693 1.00 14.24 N ATOM 893 CA LYS A 229 -5.939 -12.164 -0.269 1.00 61.11 C ATOM 894 C LYS A 229 -6.693 -11.727 -1.524 1.00 50.14 C ATOM 895 O LYS A 229 -6.274 -12.076 -2.626 1.00 20.33 O ATOM 896 CB LYS A 229 -6.565 -13.424 0.368 1.00 43.15 C ATOM 897 CG LYS A 229 -5.782 -14.691 -0.005 1.00 65.30 C ATOM 898 CD LYS A 229 -6.509 -15.963 0.436 1.00 2.11 C ATOM 899 CE LYS A 229 -5.691 -17.228 0.141 1.00 22.04 C ATOM 900 NZ LYS A 229 -4.711 -17.559 1.198 1.00 4.21 N1+ ATOM 0 H LYS A 229 -6.384 -11.271 1.577 1.00 14.24 H new ATOM 0 HA LYS A 229 -4.919 -12.421 -0.556 1.00 61.11 H new ATOM 0 HB2 LYS A 229 -6.585 -13.313 1.452 1.00 43.15 H new ATOM 0 HB3 LYS A 229 -7.599 -13.524 0.039 1.00 43.15 H new ATOM 0 HG2 LYS A 229 -5.627 -14.717 -1.084 1.00 65.30 H new ATOM 0 HG3 LYS A 229 -4.796 -14.658 0.458 1.00 65.30 H new ATOM 0 HD2 LYS A 229 -6.718 -15.908 1.504 1.00 2.11 H new ATOM 0 HD3 LYS A 229 -7.470 -16.026 -0.074 1.00 2.11 H new ATOM 0 HE2 LYS A 229 -6.372 -18.069 0.012 1.00 22.04 H new ATOM 0 HE3 LYS A 229 -5.164 -17.097 -0.804 1.00 22.04 H new ATOM 0 HZ1 LYS A 229 -4.195 -18.422 0.935 1.00 4.21 H new ATOM 0 HZ2 LYS A 229 -4.039 -16.773 1.307 1.00 4.21 H new ATOM 0 HZ3 LYS A 229 -5.210 -17.715 2.097 1.00 4.21 H new ATOM 914 N TRP A 230 -7.766 -10.945 -1.382 1.00 13.20 N ATOM 915 CA TRP A 230 -8.486 -10.384 -2.514 1.00 72.33 C ATOM 916 C TRP A 230 -7.706 -9.234 -3.149 1.00 31.00 C ATOM 917 O TRP A 230 -7.687 -9.134 -4.370 1.00 23.12 O ATOM 918 CB TRP A 230 -9.884 -9.927 -2.092 1.00 34.15 C ATOM 919 CG TRP A 230 -10.649 -9.251 -3.188 1.00 61.20 C ATOM 920 CD1 TRP A 230 -11.085 -9.844 -4.324 1.00 14.12 C ATOM 921 CD2 TRP A 230 -10.970 -7.834 -3.327 1.00 53.24 C ATOM 922 NE1 TRP A 230 -11.689 -8.904 -5.134 1.00 24.03 N ATOM 923 CE2 TRP A 230 -11.661 -7.651 -4.558 1.00 13.24 C ATOM 924 CE3 TRP A 230 -10.726 -6.682 -2.552 1.00 35.03 C ATOM 925 CZ2 TRP A 230 -12.127 -6.396 -4.969 1.00 2.33 C ATOM 926 CZ3 TRP A 230 -11.215 -5.423 -2.947 1.00 33.44 C ATOM 927 CH2 TRP A 230 -11.915 -5.274 -4.154 1.00 4.35 C ATOM 0 H TRP A 230 -8.156 -10.686 -0.476 1.00 13.20 H new ATOM 0 HA TRP A 230 -8.594 -11.167 -3.265 1.00 72.33 H new ATOM 0 HB2 TRP A 230 -10.450 -10.791 -1.744 1.00 34.15 H new ATOM 0 HB3 TRP A 230 -9.795 -9.244 -1.248 1.00 34.15 H new ATOM 0 HD1 TRP A 230 -10.977 -10.892 -4.560 1.00 14.12 H new ATOM 0 HE1 TRP A 230 -12.103 -9.110 -6.043 1.00 24.03 H new ATOM 0 HE3 TRP A 230 -10.154 -6.767 -1.640 1.00 35.03 H new ATOM 0 HZ2 TRP A 230 -12.647 -6.292 -5.910 1.00 2.33 H new ATOM 0 HZ3 TRP A 230 -11.050 -4.563 -2.315 1.00 33.44 H new ATOM 0 HH2 TRP A 230 -12.287 -4.305 -4.453 1.00 4.35 H new ATOM 938 N HIS A 231 -7.053 -8.373 -2.364 1.00 41.52 N ATOM 939 CA HIS A 231 -6.323 -7.222 -2.887 1.00 44.11 C ATOM 940 C HIS A 231 -5.288 -7.650 -3.931 1.00 62.42 C ATOM 941 O HIS A 231 -5.178 -6.998 -4.971 1.00 2.10 O ATOM 942 CB HIS A 231 -5.660 -6.446 -1.739 1.00 73.30 C ATOM 943 CG HIS A 231 -4.766 -5.311 -2.173 1.00 1.23 C ATOM 944 ND1 HIS A 231 -3.531 -5.010 -1.645 1.00 54.43 N ATOM 945 CD2 HIS A 231 -5.004 -4.409 -3.173 1.00 54.44 C ATOM 946 CE1 HIS A 231 -3.056 -3.936 -2.291 1.00 44.02 C ATOM 947 NE2 HIS A 231 -3.913 -3.536 -3.238 1.00 72.12 N ATOM 0 H HIS A 231 -7.017 -8.457 -1.348 1.00 41.52 H new ATOM 0 HA HIS A 231 -7.035 -6.563 -3.384 1.00 44.11 H new ATOM 0 HB2 HIS A 231 -6.440 -6.047 -1.091 1.00 73.30 H new ATOM 0 HB3 HIS A 231 -5.074 -7.143 -1.140 1.00 73.30 H new ATOM 0 HD1 HIS A 231 -3.060 -5.515 -0.894 1.00 54.43 H new ATOM 0 HD2 HIS A 231 -5.881 -4.376 -3.802 1.00 54.44 H new ATOM 0 HE1 HIS A 231 -2.111 -3.459 -2.077 1.00 44.02 H new ATOM 955 N LEU A 232 -4.572 -8.754 -3.670 1.00 43.21 N ATOM 956 CA LEU A 232 -3.623 -9.344 -4.619 1.00 54.14 C ATOM 957 C LEU A 232 -4.315 -9.692 -5.934 1.00 63.01 C ATOM 958 O LEU A 232 -3.821 -9.373 -7.015 1.00 33.14 O ATOM 959 CB LEU A 232 -2.967 -10.594 -4.004 1.00 63.34 C ATOM 960 CG LEU A 232 -1.974 -11.285 -4.967 1.00 62.14 C ATOM 961 CD1 LEU A 232 -0.841 -10.343 -5.383 1.00 23.25 C ATOM 962 CD2 LEU A 232 -1.364 -12.518 -4.293 1.00 64.32 C ATOM 0 H LEU A 232 -4.637 -9.264 -2.789 1.00 43.21 H new ATOM 0 HA LEU A 232 -2.846 -8.610 -4.832 1.00 54.14 H new ATOM 0 HB2 LEU A 232 -2.443 -10.312 -3.091 1.00 63.34 H new ATOM 0 HB3 LEU A 232 -3.744 -11.304 -3.720 1.00 63.34 H new ATOM 0 HG LEU A 232 -2.532 -11.575 -5.857 1.00 62.14 H new ATOM 0 HD11 LEU A 232 -0.164 -10.865 -6.059 1.00 23.25 H new ATOM 0 HD12 LEU A 232 -1.259 -9.472 -5.888 1.00 23.25 H new ATOM 0 HD13 LEU A 232 -0.292 -10.021 -4.498 1.00 23.25 H new ATOM 0 HD21 LEU A 232 -0.666 -12.999 -4.978 1.00 64.32 H new ATOM 0 HD22 LEU A 232 -0.835 -12.215 -3.389 1.00 64.32 H new ATOM 0 HD23 LEU A 232 -2.157 -13.219 -4.031 1.00 64.32 H new ATOM 974 N ILE A 233 -5.466 -10.354 -5.834 1.00 20.31 N ATOM 975 CA ILE A 233 -6.272 -10.740 -6.981 1.00 12.23 C ATOM 976 C ILE A 233 -6.760 -9.478 -7.716 1.00 33.40 C ATOM 977 O ILE A 233 -6.929 -9.520 -8.933 1.00 73.01 O ATOM 978 CB ILE A 233 -7.415 -11.683 -6.522 1.00 31.24 C ATOM 979 CG1 ILE A 233 -6.843 -12.946 -5.824 1.00 41.21 C ATOM 980 CG2 ILE A 233 -8.274 -12.107 -7.722 1.00 11.11 C ATOM 981 CD1 ILE A 233 -7.889 -13.772 -5.067 1.00 1.50 C ATOM 0 H ILE A 233 -5.867 -10.639 -4.940 1.00 20.31 H new ATOM 0 HA ILE A 233 -5.680 -11.305 -7.701 1.00 12.23 H new ATOM 0 HB ILE A 233 -8.034 -11.137 -5.810 1.00 31.24 H new ATOM 0 HG12 ILE A 233 -6.369 -13.579 -6.574 1.00 41.21 H new ATOM 0 HG13 ILE A 233 -6.063 -12.640 -5.127 1.00 41.21 H new ATOM 0 HG21 ILE A 233 -9.071 -12.768 -7.383 1.00 11.11 H new ATOM 0 HG22 ILE A 233 -8.709 -11.223 -8.188 1.00 11.11 H new ATOM 0 HG23 ILE A 233 -7.652 -12.631 -8.448 1.00 11.11 H new ATOM 0 HD11 ILE A 233 -7.408 -14.636 -4.608 1.00 1.50 H new ATOM 0 HD12 ILE A 233 -8.346 -13.157 -4.292 1.00 1.50 H new ATOM 0 HD13 ILE A 233 -8.657 -14.111 -5.762 1.00 1.50 H new ATOM 993 N LYS A 234 -6.997 -8.366 -7.003 1.00 35.12 N ATOM 994 CA LYS A 234 -7.597 -7.170 -7.570 1.00 65.43 C ATOM 995 C LYS A 234 -6.603 -6.386 -8.424 1.00 71.04 C ATOM 996 O LYS A 234 -6.722 -6.475 -9.637 1.00 11.24 O ATOM 997 CB LYS A 234 -8.313 -6.328 -6.498 1.00 41.01 C ATOM 998 CG LYS A 234 -9.499 -5.593 -7.153 1.00 40.11 C ATOM 999 CD LYS A 234 -9.741 -4.148 -6.719 1.00 52.01 C ATOM 1000 CE LYS A 234 -8.579 -3.316 -7.247 1.00 24.13 C ATOM 1001 NZ LYS A 234 -8.740 -1.864 -7.039 1.00 64.53 N1+ ATOM 0 H LYS A 234 -6.773 -8.281 -6.012 1.00 35.12 H new ATOM 0 HA LYS A 234 -8.381 -7.481 -8.260 1.00 65.43 H new ATOM 0 HB2 LYS A 234 -8.666 -6.968 -5.689 1.00 41.01 H new ATOM 0 HB3 LYS A 234 -7.621 -5.610 -6.058 1.00 41.01 H new ATOM 0 HG2 LYS A 234 -9.350 -5.603 -8.233 1.00 40.11 H new ATOM 0 HG3 LYS A 234 -10.405 -6.164 -6.952 1.00 40.11 H new ATOM 0 HD2 LYS A 234 -10.688 -3.781 -7.115 1.00 52.01 H new ATOM 0 HD3 LYS A 234 -9.802 -4.078 -5.633 1.00 52.01 H new ATOM 0 HE2 LYS A 234 -7.660 -3.643 -6.760 1.00 24.13 H new ATOM 0 HE3 LYS A 234 -8.461 -3.510 -8.313 1.00 24.13 H new ATOM 0 HZ1 LYS A 234 -7.870 -1.373 -7.330 1.00 64.53 H new ATOM 0 HZ2 LYS A 234 -9.539 -1.518 -7.608 1.00 64.53 H new ATOM 0 HZ3 LYS A 234 -8.924 -1.676 -6.033 1.00 64.53 H new ATOM 1015 N GLN A 235 -5.718 -5.564 -7.824 1.00 72.02 N ATOM 1016 CA GLN A 235 -4.748 -4.696 -8.524 1.00 11.35 C ATOM 1017 C GLN A 235 -5.453 -4.001 -9.704 1.00 33.24 C ATOM 1018 O GLN A 235 -5.252 -4.331 -10.867 1.00 30.21 O ATOM 1019 CB GLN A 235 -3.526 -5.555 -8.918 1.00 22.32 C ATOM 1020 CG GLN A 235 -2.242 -4.789 -9.305 1.00 50.13 C ATOM 1021 CD GLN A 235 -2.095 -4.354 -10.768 1.00 24.00 C ATOM 1022 OE1 GLN A 235 -2.504 -5.042 -11.693 1.00 23.03 O ATOM 1023 NE2 GLN A 235 -1.446 -3.223 -11.008 1.00 43.20 N ATOM 0 H GLN A 235 -5.656 -5.483 -6.809 1.00 72.02 H new ATOM 0 HA GLN A 235 -4.373 -3.893 -7.889 1.00 11.35 H new ATOM 0 HB2 GLN A 235 -3.291 -6.216 -8.084 1.00 22.32 H new ATOM 0 HB3 GLN A 235 -3.811 -6.189 -9.757 1.00 22.32 H new ATOM 0 HG2 GLN A 235 -2.180 -3.898 -8.681 1.00 50.13 H new ATOM 0 HG3 GLN A 235 -1.387 -5.415 -9.052 1.00 50.13 H new ATOM 0 HE21 GLN A 235 -1.108 -2.654 -10.232 1.00 43.20 H new ATOM 0 HE22 GLN A 235 -1.285 -2.921 -11.969 1.00 43.20 H new ATOM 1032 N HIS A 236 -6.346 -3.068 -9.378 1.00 22.23 N ATOM 1033 CA HIS A 236 -7.299 -2.405 -10.269 1.00 73.33 C ATOM 1034 C HIS A 236 -8.354 -3.336 -10.897 1.00 63.54 C ATOM 1035 O HIS A 236 -9.508 -2.935 -10.991 1.00 34.42 O ATOM 1036 CB HIS A 236 -6.581 -1.561 -11.332 1.00 2.44 C ATOM 1037 CG HIS A 236 -7.459 -0.452 -11.855 1.00 4.45 C ATOM 1038 ND1 HIS A 236 -7.497 0.836 -11.367 1.00 31.54 N ATOM 1039 CD2 HIS A 236 -8.391 -0.550 -12.854 1.00 72.22 C ATOM 1040 CE1 HIS A 236 -8.418 1.513 -12.068 1.00 31.30 C ATOM 1041 NE2 HIS A 236 -9.007 0.705 -12.969 1.00 63.23 N ATOM 0 H HIS A 236 -6.429 -2.732 -8.419 1.00 22.23 H new ATOM 0 HA HIS A 236 -7.870 -1.738 -9.623 1.00 73.33 H new ATOM 0 HB2 HIS A 236 -5.673 -1.135 -10.905 1.00 2.44 H new ATOM 0 HB3 HIS A 236 -6.274 -2.202 -12.159 1.00 2.44 H new ATOM 0 HD2 HIS A 236 -8.610 -1.429 -13.443 1.00 72.22 H new ATOM 0 HE1 HIS A 236 -8.654 2.558 -11.929 1.00 31.30 H new ATOM 0 HE2 HIS A 236 -9.757 0.957 -13.612 1.00 63.23 H new ATOM 1049 N THR A 237 -8.052 -4.580 -11.241 1.00 74.12 N ATOM 1050 CA THR A 237 -8.634 -5.252 -12.407 1.00 64.12 C ATOM 1051 C THR A 237 -9.832 -6.171 -12.115 1.00 22.14 C ATOM 1052 O THR A 237 -10.339 -6.863 -13.002 1.00 63.42 O ATOM 1053 CB THR A 237 -7.478 -5.922 -13.147 1.00 1.11 C ATOM 1054 OG1 THR A 237 -6.367 -5.044 -13.270 1.00 61.40 O ATOM 1055 CG2 THR A 237 -7.771 -6.437 -14.558 1.00 50.03 C ATOM 0 H THR A 237 -7.394 -5.159 -10.720 1.00 74.12 H new ATOM 0 HA THR A 237 -9.114 -4.512 -13.048 1.00 64.12 H new ATOM 0 HB THR A 237 -7.277 -6.788 -12.516 1.00 1.11 H new ATOM 0 HG1 THR A 237 -5.932 -4.943 -12.398 1.00 61.40 H new ATOM 0 HG21 THR A 237 -6.871 -6.890 -14.974 1.00 50.03 H new ATOM 0 HG22 THR A 237 -8.566 -7.182 -14.516 1.00 50.03 H new ATOM 0 HG23 THR A 237 -8.085 -5.607 -15.191 1.00 50.03 H new ATOM 1063 N ALA A 238 -10.386 -6.063 -10.910 1.00 64.25 N ATOM 1064 CA ALA A 238 -11.463 -6.901 -10.381 1.00 34.41 C ATOM 1065 C ALA A 238 -12.496 -6.023 -9.657 1.00 70.53 C ATOM 1066 O ALA A 238 -12.333 -5.777 -8.459 1.00 41.40 O ATOM 1067 CB ALA A 238 -10.922 -8.037 -9.500 1.00 14.52 C ATOM 0 H ALA A 238 -10.082 -5.355 -10.242 1.00 64.25 H new ATOM 0 HA ALA A 238 -11.969 -7.393 -11.212 1.00 34.41 H new ATOM 0 HB1 ALA A 238 -11.753 -8.636 -9.127 1.00 14.52 H new ATOM 0 HB2 ALA A 238 -10.256 -8.668 -10.088 1.00 14.52 H new ATOM 0 HB3 ALA A 238 -10.373 -7.615 -8.658 1.00 14.52 H new ATOM 1073 N PRO A 239 -13.499 -5.453 -10.344 1.00 61.40 N ATOM 1074 CA PRO A 239 -14.503 -4.624 -9.687 1.00 14.44 C ATOM 1075 C PRO A 239 -15.308 -5.484 -8.703 1.00 74.14 C ATOM 1076 O PRO A 239 -15.413 -6.698 -8.878 1.00 42.52 O ATOM 1077 CB PRO A 239 -15.351 -4.050 -10.826 1.00 51.21 C ATOM 1078 CG PRO A 239 -15.234 -5.100 -11.933 1.00 20.31 C ATOM 1079 CD PRO A 239 -13.851 -5.711 -11.731 1.00 1.53 C ATOM 0 HA PRO A 239 -14.084 -3.813 -9.092 1.00 14.44 H new ATOM 0 HB2 PRO A 239 -16.387 -3.905 -10.520 1.00 51.21 H new ATOM 0 HB3 PRO A 239 -14.977 -3.080 -11.154 1.00 51.21 H new ATOM 0 HG2 PRO A 239 -16.017 -5.853 -11.850 1.00 20.31 H new ATOM 0 HG3 PRO A 239 -15.329 -4.649 -12.921 1.00 20.31 H new ATOM 0 HD2 PRO A 239 -13.863 -6.781 -11.938 1.00 1.53 H new ATOM 0 HD3 PRO A 239 -13.124 -5.263 -12.408 1.00 1.53 H new ATOM 1087 N VAL A 240 -15.896 -4.873 -7.674 1.00 55.30 N ATOM 1088 CA VAL A 240 -16.828 -5.543 -6.772 1.00 73.31 C ATOM 1089 C VAL A 240 -17.645 -4.463 -6.057 1.00 73.24 C ATOM 1090 O VAL A 240 -17.065 -3.528 -5.491 1.00 4.41 O ATOM 1091 CB VAL A 240 -16.081 -6.510 -5.812 1.00 1.54 C ATOM 1092 CG1 VAL A 240 -15.345 -5.829 -4.649 1.00 2.11 C ATOM 1093 CG2 VAL A 240 -17.037 -7.562 -5.248 1.00 62.34 C ATOM 0 H VAL A 240 -15.737 -3.892 -7.443 1.00 55.30 H new ATOM 0 HA VAL A 240 -17.519 -6.182 -7.322 1.00 73.31 H new ATOM 0 HB VAL A 240 -15.314 -6.972 -6.434 1.00 1.54 H new ATOM 0 HG11 VAL A 240 -14.855 -6.585 -4.036 1.00 2.11 H new ATOM 0 HG12 VAL A 240 -14.597 -5.142 -5.044 1.00 2.11 H new ATOM 0 HG13 VAL A 240 -16.060 -5.276 -4.040 1.00 2.11 H new ATOM 0 HG21 VAL A 240 -16.492 -8.228 -4.579 1.00 62.34 H new ATOM 0 HG22 VAL A 240 -17.837 -7.068 -4.696 1.00 62.34 H new ATOM 0 HG23 VAL A 240 -17.465 -8.141 -6.066 1.00 62.34 H new ATOM 1103 N SER A 241 -18.972 -4.549 -6.122 1.00 23.54 N ATOM 1104 CA SER A 241 -19.928 -3.797 -5.313 1.00 33.20 C ATOM 1105 C SER A 241 -21.319 -4.361 -5.640 1.00 22.33 C ATOM 1106 O SER A 241 -21.951 -3.903 -6.602 1.00 4.10 O ATOM 1107 CB SER A 241 -19.847 -2.274 -5.538 1.00 73.01 C ATOM 1108 OG SER A 241 -20.387 -1.603 -4.424 1.00 42.03 O ATOM 0 H SER A 241 -19.434 -5.180 -6.777 1.00 23.54 H new ATOM 0 HA SER A 241 -19.698 -3.920 -4.255 1.00 33.20 H new ATOM 0 HB2 SER A 241 -18.810 -1.973 -5.689 1.00 73.01 H new ATOM 0 HB3 SER A 241 -20.393 -2.000 -6.440 1.00 73.01 H new ATOM 0 HG SER A 241 -20.333 -0.635 -4.568 1.00 42.03 H new ATOM 1114 N PRO A 242 -21.765 -5.438 -4.979 1.00 54.33 N ATOM 1115 CA PRO A 242 -23.101 -5.972 -5.185 1.00 33.53 C ATOM 1116 C PRO A 242 -24.115 -5.046 -4.508 1.00 62.22 C ATOM 1117 O PRO A 242 -23.774 -4.312 -3.575 1.00 3.45 O ATOM 1118 CB PRO A 242 -23.068 -7.351 -4.534 1.00 40.15 C ATOM 1119 CG PRO A 242 -22.119 -7.145 -3.353 1.00 23.42 C ATOM 1120 CD PRO A 242 -21.107 -6.122 -3.875 1.00 33.01 C ATOM 0 HA PRO A 242 -23.390 -6.043 -6.234 1.00 33.53 H new ATOM 0 HB2 PRO A 242 -24.058 -7.668 -4.207 1.00 40.15 H new ATOM 0 HB3 PRO A 242 -22.700 -8.114 -5.220 1.00 40.15 H new ATOM 0 HG2 PRO A 242 -22.647 -6.774 -2.475 1.00 23.42 H new ATOM 0 HG3 PRO A 242 -21.633 -8.076 -3.062 1.00 23.42 H new ATOM 0 HD2 PRO A 242 -20.824 -5.418 -3.092 1.00 33.01 H new ATOM 0 HD3 PRO A 242 -20.192 -6.612 -4.209 1.00 33.01 H new ATOM 1128 N HIS A 243 -25.371 -5.079 -4.945 1.00 45.13 N ATOM 1129 CA HIS A 243 -26.432 -4.349 -4.268 1.00 20.32 C ATOM 1130 C HIS A 243 -26.855 -5.160 -3.034 1.00 25.15 C ATOM 1131 O HIS A 243 -26.759 -6.395 -3.022 1.00 54.22 O ATOM 1132 CB HIS A 243 -27.580 -4.069 -5.249 1.00 51.05 C ATOM 1133 CG HIS A 243 -27.247 -3.064 -6.339 1.00 23.30 C ATOM 1134 ND1 HIS A 243 -28.168 -2.285 -7.009 1.00 43.14 N ATOM 1135 CD2 HIS A 243 -26.004 -2.715 -6.811 1.00 22.02 C ATOM 1136 CE1 HIS A 243 -27.507 -1.506 -7.881 1.00 63.04 C ATOM 1137 NE2 HIS A 243 -26.180 -1.714 -7.772 1.00 1.40 N ATOM 0 H HIS A 243 -25.676 -5.604 -5.765 1.00 45.13 H new ATOM 0 HA HIS A 243 -26.094 -3.373 -3.922 1.00 20.32 H new ATOM 0 HB2 HIS A 243 -27.878 -5.007 -5.717 1.00 51.05 H new ATOM 0 HB3 HIS A 243 -28.440 -3.705 -4.687 1.00 51.05 H new ATOM 0 HD2 HIS A 243 -25.061 -3.138 -6.496 1.00 22.02 H new ATOM 0 HE1 HIS A 243 -27.971 -0.814 -8.569 1.00 63.04 H new ATOM 0 HE2 HIS A 243 -25.445 -1.234 -8.291 1.00 1.40 H new ATOM 1145 N SER A 244 -27.273 -4.461 -1.978 1.00 53.22 N ATOM 1146 CA SER A 244 -27.745 -5.079 -0.749 1.00 22.22 C ATOM 1147 C SER A 244 -29.164 -5.568 -0.986 1.00 53.24 C ATOM 1148 O SER A 244 -30.029 -4.697 -1.241 1.00 34.02 O ATOM 1149 CB SER A 244 -27.668 -4.089 0.407 1.00 24.31 C ATOM 1150 OG SER A 244 -26.315 -3.739 0.681 1.00 51.22 O ATOM 0 H SER A 244 -27.292 -3.441 -1.957 1.00 53.22 H new ATOM 0 HA SER A 244 -27.116 -5.926 -0.476 1.00 22.22 H new ATOM 0 HB2 SER A 244 -28.238 -3.193 0.163 1.00 24.31 H new ATOM 0 HB3 SER A 244 -28.123 -4.525 1.296 1.00 24.31 H new ATOM 0 HG SER A 244 -26.286 -3.102 1.425 1.00 51.22 H new TER 1156 SER A 244