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 209 HIS : no HD1:sc= 0.937 K(o=2.2,f=-4.6!) USER MOD Set 1.2: A 211 SER OG : rot -95:sc= 1.22 USER MOD Single : A 176 SER OG : rot 180:sc=-0.00372 USER MOD Single : A 179 GLN : amide:sc= -0.321 X(o=-0.32,f=-0.38) USER MOD Single : A 182 GLN : amide:sc= -0.44 K(o=-0.44,f=-2.3!) USER MOD Single : A 184 THR OG1 : rot 180:sc= 0.0297 USER MOD Single : A 188 CYS SG : rot 23:sc= 0.0215 USER MOD Single : A 191 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 193 THR OG1 : rot 180:sc= 0 USER MOD Single : A 194 TYR OH : rot 180:sc= 0 USER MOD Single : A 195 SER OG : rot -4:sc= 0.495 USER MOD Single : A 196 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 197 GLN : amide:sc= -0.0153 K(o=-0.015,f=-1.2) USER MOD Single : A 198 SER OG : rot 53:sc= 0.0184 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= 0.462 X(o=0.46,f=0) USER MOD Single : A 205 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 207 LYS NZ :NH3+ 167:sc= -0.0322 (180deg=-0.216) USER MOD Single : A 214 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 217 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 218 CYS SG : rot 117:sc= -0.361 USER MOD Single : A 224 SER OG : rot 180:sc= 0 USER MOD Single : A 228 GLN : amide:sc= 0.906 K(o=0.91,f=-6.8e-05) USER MOD Single : A 229 LYS NZ :NH3+ 170:sc= 1.16 (180deg=1.04) USER MOD Single : A 231 HIS : no HD1:sc=-0.00741 X(o=-0.0074,f=-0.33) USER MOD Single : A 234 LYS NZ :NH3+ -136:sc= 1.19 (180deg=0.00845) USER MOD Single : A 235 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 236 HIS : no HE2:sc= 0.358 K(o=0.36,f=-1.8) USER MOD Single : A 237 THR OG1 : rot 180:sc= 0 USER MOD Single : A 241 SER OG : rot 180:sc= -0.0226 USER MOD Single : A 243 HIS : no HD1:sc= -0.113 K(o=-0.11,f=-0.81) USER MOD Single : A 244 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 175 2.039 94.448 -28.064 1.00 44.44 N ATOM 2 CA ARG A 175 1.536 93.252 -27.380 1.00 25.31 C ATOM 3 C ARG A 175 1.559 92.116 -28.401 1.00 23.33 C ATOM 4 O ARG A 175 2.600 91.485 -28.545 1.00 72.25 O ATOM 5 CB ARG A 175 0.142 93.465 -26.735 1.00 63.20 C ATOM 6 CG ARG A 175 0.185 94.042 -25.302 1.00 35.43 C ATOM 7 CD ARG A 175 -0.615 95.341 -25.120 1.00 51.31 C ATOM 8 NE ARG A 175 -2.076 95.130 -25.207 1.00 63.41 N ATOM 9 CZ ARG A 175 -3.019 96.079 -25.094 1.00 22.04 C ATOM 10 NH1 ARG A 175 -2.679 97.354 -24.904 1.00 63.22 N1+ ATOM 11 NH2 ARG A 175 -4.307 95.750 -25.177 1.00 52.51 N ATOM 0 HA ARG A 175 2.174 93.005 -26.532 1.00 25.31 H new ATOM 0 HB2 ARG A 175 -0.439 94.137 -27.367 1.00 63.20 H new ATOM 0 HB3 ARG A 175 -0.385 92.511 -26.714 1.00 63.20 H new ATOM 0 HG2 ARG A 175 -0.198 93.293 -24.609 1.00 35.43 H new ATOM 0 HG3 ARG A 175 1.224 94.227 -25.028 1.00 35.43 H new ATOM 0 HD2 ARG A 175 -0.373 95.779 -24.152 1.00 51.31 H new ATOM 0 HD3 ARG A 175 -0.310 96.060 -25.881 1.00 51.31 H new ATOM 0 HE ARG A 175 -2.397 94.175 -25.368 1.00 63.41 H new ATOM 0 HH11 ARG A 175 -1.695 97.616 -24.843 1.00 63.22 H new ATOM 0 HH12 ARG A 175 -3.403 98.068 -24.819 1.00 63.22 H new ATOM 0 HH21 ARG A 175 -4.576 94.778 -25.326 1.00 52.51 H new ATOM 0 HH22 ARG A 175 -5.024 96.470 -25.091 1.00 52.51 H new ATOM 25 N SER A 176 0.506 91.984 -29.214 1.00 54.30 N ATOM 26 CA SER A 176 0.190 90.808 -30.037 1.00 40.15 C ATOM 27 C SER A 176 -0.334 89.675 -29.141 1.00 12.11 C ATOM 28 O SER A 176 -0.356 89.806 -27.918 1.00 40.04 O ATOM 29 CB SER A 176 1.378 90.319 -30.894 1.00 24.33 C ATOM 30 OG SER A 176 2.219 91.370 -31.322 1.00 71.11 O ATOM 0 H SER A 176 -0.183 92.728 -29.323 1.00 54.30 H new ATOM 0 HA SER A 176 -0.582 91.113 -30.743 1.00 40.15 H new ATOM 0 HB2 SER A 176 1.964 89.603 -30.318 1.00 24.33 H new ATOM 0 HB3 SER A 176 0.996 89.789 -31.766 1.00 24.33 H new ATOM 0 HG SER A 176 2.953 91.004 -31.858 1.00 71.11 H new ATOM 36 N LEU A 177 -0.729 88.560 -29.756 1.00 42.40 N ATOM 37 CA LEU A 177 -0.894 87.253 -29.132 1.00 14.14 C ATOM 38 C LEU A 177 -0.430 86.226 -30.166 1.00 25.25 C ATOM 39 O LEU A 177 -0.319 86.554 -31.351 1.00 72.32 O ATOM 40 CB LEU A 177 -2.369 87.014 -28.732 1.00 62.05 C ATOM 41 CG LEU A 177 -2.595 87.015 -27.209 1.00 74.24 C ATOM 42 CD1 LEU A 177 -4.099 87.017 -26.913 1.00 32.31 C ATOM 43 CD2 LEU A 177 -1.954 85.791 -26.538 1.00 21.13 C ATOM 0 H LEU A 177 -0.953 88.546 -30.751 1.00 42.40 H new ATOM 0 HA LEU A 177 -0.311 87.176 -28.214 1.00 14.14 H new ATOM 0 HB2 LEU A 177 -2.991 87.786 -29.185 1.00 62.05 H new ATOM 0 HB3 LEU A 177 -2.699 86.059 -29.141 1.00 62.05 H new ATOM 0 HG LEU A 177 -2.125 87.912 -26.804 1.00 74.24 H new ATOM 0 HD11 LEU A 177 -4.258 87.018 -25.835 1.00 32.31 H new ATOM 0 HD12 LEU A 177 -4.554 87.907 -27.347 1.00 32.31 H new ATOM 0 HD13 LEU A 177 -4.556 86.128 -27.346 1.00 32.31 H new ATOM 0 HD21 LEU A 177 -2.135 85.828 -25.464 1.00 21.13 H new ATOM 0 HD22 LEU A 177 -2.391 84.881 -26.948 1.00 21.13 H new ATOM 0 HD23 LEU A 177 -0.880 85.794 -26.725 1.00 21.13 H new ATOM 55 N ARG A 178 -0.157 84.990 -29.746 1.00 24.30 N ATOM 56 CA ARG A 178 0.023 83.833 -30.620 1.00 3.45 C ATOM 57 C ARG A 178 -0.484 82.630 -29.834 1.00 25.42 C ATOM 58 O ARG A 178 -0.069 82.474 -28.688 1.00 34.30 O ATOM 59 CB ARG A 178 1.504 83.602 -30.998 1.00 73.44 C ATOM 60 CG ARG A 178 2.090 84.562 -32.052 1.00 23.23 C ATOM 61 CD ARG A 178 2.825 85.769 -31.449 1.00 61.32 C ATOM 62 NE ARG A 178 3.248 86.720 -32.497 1.00 43.12 N ATOM 63 CZ ARG A 178 4.443 86.790 -33.105 1.00 4.41 C ATOM 64 NH1 ARG A 178 5.422 85.942 -32.787 1.00 33.23 N1+ ATOM 65 NH2 ARG A 178 4.655 87.714 -34.040 1.00 63.23 N ATOM 0 H ARG A 178 -0.052 84.761 -28.758 1.00 24.30 H new ATOM 0 HA ARG A 178 -0.516 83.991 -31.554 1.00 3.45 H new ATOM 0 HB2 ARG A 178 2.106 83.678 -30.092 1.00 73.44 H new ATOM 0 HB3 ARG A 178 1.609 82.582 -31.366 1.00 73.44 H new ATOM 0 HG2 ARG A 178 2.780 84.009 -32.690 1.00 23.23 H new ATOM 0 HG3 ARG A 178 1.284 84.921 -32.691 1.00 23.23 H new ATOM 0 HD2 ARG A 178 2.173 86.276 -30.737 1.00 61.32 H new ATOM 0 HD3 ARG A 178 3.698 85.425 -30.893 1.00 61.32 H new ATOM 0 HE ARG A 178 2.551 87.403 -32.793 1.00 43.12 H new ATOM 0 HH11 ARG A 178 5.268 85.229 -32.074 1.00 33.23 H new ATOM 0 HH12 ARG A 178 6.325 86.006 -33.257 1.00 33.23 H new ATOM 0 HH21 ARG A 178 3.911 88.365 -34.292 1.00 63.23 H new ATOM 0 HH22 ARG A 178 5.561 87.771 -34.505 1.00 63.23 H new ATOM 79 N GLN A 179 -1.340 81.802 -30.432 1.00 24.00 N ATOM 80 CA GLN A 179 -1.678 80.463 -29.963 1.00 3.32 C ATOM 81 C GLN A 179 -2.016 79.616 -31.187 1.00 35.51 C ATOM 82 O GLN A 179 -2.697 80.099 -32.094 1.00 2.32 O ATOM 83 CB GLN A 179 -2.893 80.485 -29.009 1.00 52.52 C ATOM 84 CG GLN A 179 -2.546 80.819 -27.551 1.00 55.30 C ATOM 85 CD GLN A 179 -1.487 79.867 -26.997 1.00 71.53 C ATOM 86 OE1 GLN A 179 -1.689 78.664 -26.942 1.00 14.25 O ATOM 87 NE2 GLN A 179 -0.307 80.362 -26.662 1.00 3.14 N ATOM 0 H GLN A 179 -1.834 82.057 -31.287 1.00 24.00 H new ATOM 0 HA GLN A 179 -0.832 80.052 -29.412 1.00 3.32 H new ATOM 0 HB2 GLN A 179 -3.614 81.216 -29.375 1.00 52.52 H new ATOM 0 HB3 GLN A 179 -3.382 79.511 -29.040 1.00 52.52 H new ATOM 0 HG2 GLN A 179 -2.184 81.845 -27.488 1.00 55.30 H new ATOM 0 HG3 GLN A 179 -3.446 80.760 -26.939 1.00 55.30 H new ATOM 0 HE21 GLN A 179 -0.144 81.368 -26.710 1.00 3.14 H new ATOM 0 HE22 GLN A 179 0.440 79.738 -26.356 1.00 3.14 H new ATOM 96 N ARG A 180 -1.531 78.372 -31.205 1.00 65.05 N ATOM 97 CA ARG A 180 -1.975 77.239 -32.013 1.00 64.25 C ATOM 98 C ARG A 180 -1.443 76.024 -31.263 1.00 43.03 C ATOM 99 O ARG A 180 -0.231 75.822 -31.256 1.00 61.12 O ATOM 100 CB ARG A 180 -1.421 77.250 -33.456 1.00 54.40 C ATOM 101 CG ARG A 180 -2.300 78.042 -34.439 1.00 40.31 C ATOM 102 CD ARG A 180 -1.656 79.361 -34.884 1.00 25.33 C ATOM 103 NE ARG A 180 -2.682 80.296 -35.380 1.00 63.12 N ATOM 104 CZ ARG A 180 -2.576 81.176 -36.382 1.00 4.44 C ATOM 105 NH1 ARG A 180 -1.430 81.311 -37.050 1.00 33.41 N1+ ATOM 106 NH2 ARG A 180 -3.623 81.931 -36.712 1.00 74.54 N ATOM 0 H ARG A 180 -0.751 78.112 -30.602 1.00 65.05 H new ATOM 0 HA ARG A 180 -3.058 77.255 -32.133 1.00 64.25 H new ATOM 0 HB2 ARG A 180 -0.419 77.678 -33.450 1.00 54.40 H new ATOM 0 HB3 ARG A 180 -1.327 76.223 -33.810 1.00 54.40 H new ATOM 0 HG2 ARG A 180 -2.501 77.427 -35.316 1.00 40.31 H new ATOM 0 HG3 ARG A 180 -3.262 78.252 -33.971 1.00 40.31 H new ATOM 0 HD2 ARG A 180 -1.120 79.811 -34.048 1.00 25.33 H new ATOM 0 HD3 ARG A 180 -0.922 79.168 -35.667 1.00 25.33 H new ATOM 0 HE ARG A 180 -3.582 80.269 -34.901 1.00 63.12 H new ATOM 0 HH11 ARG A 180 -0.623 80.740 -36.799 1.00 33.41 H new ATOM 0 HH12 ARG A 180 -1.360 81.985 -37.812 1.00 33.41 H new ATOM 0 HH21 ARG A 180 -4.501 81.837 -36.201 1.00 74.54 H new ATOM 0 HH22 ARG A 180 -3.547 82.603 -37.475 1.00 74.54 H new ATOM 120 N LEU A 181 -2.303 75.305 -30.549 1.00 42.44 N ATOM 121 CA LEU A 181 -1.951 74.114 -29.789 1.00 73.23 C ATOM 122 C LEU A 181 -3.160 73.203 -29.931 1.00 71.21 C ATOM 123 O LEU A 181 -4.233 73.524 -29.426 1.00 74.14 O ATOM 124 CB LEU A 181 -1.632 74.478 -28.326 1.00 33.22 C ATOM 125 CG LEU A 181 -0.850 73.384 -27.569 1.00 33.35 C ATOM 126 CD1 LEU A 181 -0.473 73.911 -26.180 1.00 5.21 C ATOM 127 CD2 LEU A 181 -1.614 72.063 -27.408 1.00 70.12 C ATOM 0 H LEU A 181 -3.293 75.543 -30.482 1.00 42.44 H new ATOM 0 HA LEU A 181 -1.050 73.620 -30.152 1.00 73.23 H new ATOM 0 HB2 LEU A 181 -1.054 75.402 -28.309 1.00 33.22 H new ATOM 0 HB3 LEU A 181 -2.565 74.675 -27.799 1.00 33.22 H new ATOM 0 HG LEU A 181 0.030 73.161 -28.173 1.00 33.35 H new ATOM 0 HD11 LEU A 181 0.080 73.144 -25.638 1.00 5.21 H new ATOM 0 HD12 LEU A 181 0.148 74.801 -26.285 1.00 5.21 H new ATOM 0 HD13 LEU A 181 -1.379 74.163 -25.628 1.00 5.21 H new ATOM 0 HD21 LEU A 181 -0.995 71.348 -26.866 1.00 70.12 H new ATOM 0 HD22 LEU A 181 -2.535 72.241 -26.852 1.00 70.12 H new ATOM 0 HD23 LEU A 181 -1.856 71.660 -28.392 1.00 70.12 H new ATOM 139 N GLN A 182 -3.019 72.146 -30.723 1.00 62.31 N ATOM 140 CA GLN A 182 -4.076 71.233 -31.116 1.00 40.10 C ATOM 141 C GLN A 182 -3.387 69.949 -31.577 1.00 63.11 C ATOM 142 O GLN A 182 -2.394 70.022 -32.303 1.00 12.30 O ATOM 143 CB GLN A 182 -4.958 71.867 -32.219 1.00 72.53 C ATOM 144 CG GLN A 182 -4.307 72.165 -33.586 1.00 23.40 C ATOM 145 CD GLN A 182 -3.104 73.114 -33.533 1.00 41.05 C ATOM 146 OE1 GLN A 182 -3.244 74.335 -33.497 1.00 54.13 O ATOM 147 NE2 GLN A 182 -1.894 72.578 -33.518 1.00 22.23 N ATOM 0 H GLN A 182 -2.117 71.894 -31.127 1.00 62.31 H new ATOM 0 HA GLN A 182 -4.753 71.012 -30.291 1.00 40.10 H new ATOM 0 HB2 GLN A 182 -5.806 71.204 -32.391 1.00 72.53 H new ATOM 0 HB3 GLN A 182 -5.359 72.803 -31.829 1.00 72.53 H new ATOM 0 HG2 GLN A 182 -3.990 71.223 -34.034 1.00 23.40 H new ATOM 0 HG3 GLN A 182 -5.061 72.594 -34.246 1.00 23.40 H new ATOM 0 HE21 GLN A 182 -1.785 71.564 -33.548 1.00 22.23 H new ATOM 0 HE22 GLN A 182 -1.071 73.179 -33.476 1.00 22.23 H new ATOM 156 N ASP A 183 -3.917 68.808 -31.152 1.00 20.03 N ATOM 157 CA ASP A 183 -3.459 67.445 -31.435 1.00 43.12 C ATOM 158 C ASP A 183 -4.684 66.535 -31.535 1.00 32.23 C ATOM 159 O ASP A 183 -4.633 65.310 -31.530 1.00 34.24 O ATOM 160 CB ASP A 183 -2.481 66.986 -30.346 1.00 20.31 C ATOM 161 CG ASP A 183 -1.840 65.638 -30.688 1.00 12.13 C ATOM 162 OD1 ASP A 183 -1.409 65.496 -31.856 1.00 23.45 O1- ATOM 163 OD2 ASP A 183 -1.754 64.798 -29.768 1.00 22.45 O ATOM 0 H ASP A 183 -4.743 68.808 -30.553 1.00 20.03 H new ATOM 0 HA ASP A 183 -2.921 67.405 -32.382 1.00 43.12 H new ATOM 0 HB2 ASP A 183 -1.701 67.737 -30.218 1.00 20.31 H new ATOM 0 HB3 ASP A 183 -3.007 66.907 -29.395 1.00 20.31 H new ATOM 168 N THR A 184 -5.859 67.153 -31.665 1.00 51.30 N ATOM 169 CA THR A 184 -7.147 66.499 -31.633 1.00 22.11 C ATOM 170 C THR A 184 -7.440 65.754 -32.947 1.00 53.13 C ATOM 171 O THR A 184 -8.596 65.486 -33.266 1.00 71.31 O ATOM 172 CB THR A 184 -8.191 67.579 -31.287 1.00 3.31 C ATOM 173 OG1 THR A 184 -8.092 68.660 -32.198 1.00 25.41 O ATOM 174 CG2 THR A 184 -7.959 68.169 -29.888 1.00 51.10 C ATOM 0 H THR A 184 -5.931 68.161 -31.800 1.00 51.30 H new ATOM 0 HA THR A 184 -7.175 65.718 -30.873 1.00 22.11 H new ATOM 0 HB THR A 184 -9.166 67.094 -31.334 1.00 3.31 H new ATOM 0 HG1 THR A 184 -8.760 69.341 -31.972 1.00 25.41 H new ATOM 0 HG21 THR A 184 -8.716 68.926 -29.682 1.00 51.10 H new ATOM 0 HG22 THR A 184 -8.027 67.376 -29.143 1.00 51.10 H new ATOM 0 HG23 THR A 184 -6.969 68.624 -29.844 1.00 51.10 H new ATOM 182 N VAL A 185 -6.401 65.492 -33.739 1.00 43.51 N ATOM 183 CA VAL A 185 -6.447 64.954 -35.091 1.00 73.04 C ATOM 184 C VAL A 185 -5.883 63.531 -35.189 1.00 11.42 C ATOM 185 O VAL A 185 -5.866 62.955 -36.275 1.00 54.52 O ATOM 186 CB VAL A 185 -5.754 65.951 -36.045 1.00 23.54 C ATOM 187 CG1 VAL A 185 -6.513 67.291 -36.100 1.00 72.43 C ATOM 188 CG2 VAL A 185 -4.287 66.231 -35.670 1.00 23.12 C ATOM 0 H VAL A 185 -5.444 65.662 -33.430 1.00 43.51 H new ATOM 0 HA VAL A 185 -7.488 64.847 -35.394 1.00 73.04 H new ATOM 0 HB VAL A 185 -5.767 65.470 -37.023 1.00 23.54 H new ATOM 0 HG11 VAL A 185 -6.001 67.972 -36.780 1.00 72.43 H new ATOM 0 HG12 VAL A 185 -7.529 67.119 -36.456 1.00 72.43 H new ATOM 0 HG13 VAL A 185 -6.547 67.731 -35.103 1.00 72.43 H new ATOM 0 HG21 VAL A 185 -3.859 66.939 -36.380 1.00 23.12 H new ATOM 0 HG22 VAL A 185 -4.242 66.652 -34.666 1.00 23.12 H new ATOM 0 HG23 VAL A 185 -3.720 65.300 -35.699 1.00 23.12 H new ATOM 198 N GLY A 186 -5.449 62.967 -34.063 1.00 64.11 N ATOM 199 CA GLY A 186 -4.927 61.612 -33.959 1.00 14.24 C ATOM 200 C GLY A 186 -5.878 60.759 -33.130 1.00 62.45 C ATOM 201 O GLY A 186 -6.684 60.008 -33.680 1.00 21.23 O ATOM 0 H GLY A 186 -5.453 63.460 -33.170 1.00 64.11 H new ATOM 0 HA2 GLY A 186 -4.808 61.180 -34.953 1.00 14.24 H new ATOM 0 HA3 GLY A 186 -3.940 61.627 -33.497 1.00 14.24 H new ATOM 205 N LEU A 187 -5.815 60.918 -31.802 1.00 72.41 N ATOM 206 CA LEU A 187 -6.475 60.040 -30.831 1.00 12.03 C ATOM 207 C LEU A 187 -6.031 58.579 -31.045 1.00 61.21 C ATOM 208 O LEU A 187 -4.979 58.321 -31.631 1.00 12.43 O ATOM 209 CB LEU A 187 -8.008 60.259 -30.870 1.00 63.55 C ATOM 210 CG LEU A 187 -8.720 60.004 -29.525 1.00 32.34 C ATOM 211 CD1 LEU A 187 -8.501 61.165 -28.545 1.00 15.23 C ATOM 212 CD2 LEU A 187 -10.222 59.813 -29.756 1.00 11.21 C ATOM 0 H LEU A 187 -5.292 61.677 -31.365 1.00 72.41 H new ATOM 0 HA LEU A 187 -6.166 60.294 -29.817 1.00 12.03 H new ATOM 0 HB2 LEU A 187 -8.209 61.283 -31.186 1.00 63.55 H new ATOM 0 HB3 LEU A 187 -8.438 59.602 -31.626 1.00 63.55 H new ATOM 0 HG LEU A 187 -8.293 59.101 -29.090 1.00 32.34 H new ATOM 0 HD11 LEU A 187 -9.016 60.952 -27.608 1.00 15.23 H new ATOM 0 HD12 LEU A 187 -7.434 61.284 -28.354 1.00 15.23 H new ATOM 0 HD13 LEU A 187 -8.897 62.085 -28.976 1.00 15.23 H new ATOM 0 HD21 LEU A 187 -10.717 59.634 -28.802 1.00 11.21 H new ATOM 0 HD22 LEU A 187 -10.636 60.710 -30.217 1.00 11.21 H new ATOM 0 HD23 LEU A 187 -10.383 58.959 -30.414 1.00 11.21 H new ATOM 224 N CYS A 188 -6.771 57.604 -30.515 1.00 5.10 N ATOM 225 CA CYS A 188 -6.536 56.188 -30.738 1.00 41.23 C ATOM 226 C CYS A 188 -7.878 55.463 -30.678 1.00 61.24 C ATOM 227 O CYS A 188 -8.767 55.884 -29.936 1.00 13.40 O ATOM 228 CB CYS A 188 -5.567 55.639 -29.676 1.00 24.44 C ATOM 229 SG CYS A 188 -6.182 55.938 -27.990 1.00 53.45 S ATOM 0 H CYS A 188 -7.568 57.788 -29.905 1.00 5.10 H new ATOM 0 HA CYS A 188 -6.081 56.030 -31.716 1.00 41.23 H new ATOM 0 HB2 CYS A 188 -5.427 54.569 -29.829 1.00 24.44 H new ATOM 0 HB3 CYS A 188 -4.591 56.108 -29.796 1.00 24.44 H new ATOM 0 HG CYS A 188 -7.472 56.093 -28.020 1.00 53.45 H new ATOM 235 N PHE A 189 -8.002 54.338 -31.386 1.00 52.22 N ATOM 236 CA PHE A 189 -9.248 53.585 -31.486 1.00 21.13 C ATOM 237 C PHE A 189 -8.960 52.096 -31.242 1.00 22.14 C ATOM 238 O PHE A 189 -8.898 51.317 -32.198 1.00 63.21 O ATOM 239 CB PHE A 189 -9.913 53.881 -32.843 1.00 11.22 C ATOM 240 CG PHE A 189 -10.250 55.351 -33.033 1.00 52.44 C ATOM 241 CD1 PHE A 189 -11.448 55.873 -32.508 1.00 41.44 C ATOM 242 CD2 PHE A 189 -9.335 56.215 -33.669 1.00 72.12 C ATOM 243 CE1 PHE A 189 -11.729 57.246 -32.619 1.00 33.44 C ATOM 244 CE2 PHE A 189 -9.610 57.590 -33.766 1.00 71.13 C ATOM 245 CZ PHE A 189 -10.809 58.105 -33.244 1.00 32.31 C ATOM 0 H PHE A 189 -7.231 53.923 -31.910 1.00 52.22 H new ATOM 0 HA PHE A 189 -9.961 53.891 -30.721 1.00 21.13 H new ATOM 0 HB2 PHE A 189 -9.248 53.560 -33.645 1.00 11.22 H new ATOM 0 HB3 PHE A 189 -10.825 53.291 -32.930 1.00 11.22 H new ATOM 0 HD1 PHE A 189 -12.153 55.217 -32.019 1.00 41.44 H new ATOM 0 HD2 PHE A 189 -8.420 55.819 -34.083 1.00 72.12 H new ATOM 0 HE1 PHE A 189 -12.653 57.641 -32.223 1.00 33.44 H new ATOM 0 HE2 PHE A 189 -8.900 58.251 -34.242 1.00 71.13 H new ATOM 0 HZ PHE A 189 -11.023 59.161 -33.323 1.00 32.31 H new ATOM 255 N PRO A 190 -8.728 51.680 -29.982 1.00 74.42 N ATOM 256 CA PRO A 190 -8.381 50.306 -29.636 1.00 62.01 C ATOM 257 C PRO A 190 -9.611 49.386 -29.717 1.00 31.33 C ATOM 258 O PRO A 190 -10.199 49.009 -28.703 1.00 55.50 O ATOM 259 CB PRO A 190 -7.768 50.399 -28.232 1.00 44.41 C ATOM 260 CG PRO A 190 -8.523 51.568 -27.605 1.00 32.21 C ATOM 261 CD PRO A 190 -8.711 52.519 -28.785 1.00 14.15 C ATOM 0 HA PRO A 190 -7.672 49.856 -30.331 1.00 62.01 H new ATOM 0 HB2 PRO A 190 -7.910 49.477 -27.668 1.00 44.41 H new ATOM 0 HB3 PRO A 190 -6.695 50.586 -28.272 1.00 44.41 H new ATOM 0 HG2 PRO A 190 -9.477 51.254 -27.183 1.00 32.21 H new ATOM 0 HG3 PRO A 190 -7.955 52.031 -26.798 1.00 32.21 H new ATOM 0 HD2 PRO A 190 -9.640 53.080 -28.689 1.00 14.15 H new ATOM 0 HD3 PRO A 190 -7.902 53.248 -28.831 1.00 14.15 H new ATOM 269 N MET A 191 -10.020 49.027 -30.936 1.00 5.12 N ATOM 270 CA MET A 191 -11.114 48.095 -31.202 1.00 32.15 C ATOM 271 C MET A 191 -10.822 47.327 -32.499 1.00 53.20 C ATOM 272 O MET A 191 -11.656 47.252 -33.407 1.00 13.41 O ATOM 273 CB MET A 191 -12.458 48.842 -31.207 1.00 33.21 C ATOM 274 CG MET A 191 -13.651 47.869 -31.212 1.00 23.31 C ATOM 275 SD MET A 191 -14.866 48.124 -29.889 1.00 33.12 S ATOM 276 CE MET A 191 -13.901 47.561 -28.460 1.00 34.42 C ATOM 0 H MET A 191 -9.587 49.387 -31.786 1.00 5.12 H new ATOM 0 HA MET A 191 -11.191 47.352 -30.408 1.00 32.15 H new ATOM 0 HB2 MET A 191 -12.519 49.487 -30.331 1.00 33.21 H new ATOM 0 HB3 MET A 191 -12.512 49.488 -32.083 1.00 33.21 H new ATOM 0 HG2 MET A 191 -14.161 47.951 -32.172 1.00 23.31 H new ATOM 0 HG3 MET A 191 -13.268 46.851 -31.140 1.00 23.31 H new ATOM 0 HE1 MET A 191 -14.503 47.651 -27.556 1.00 34.42 H new ATOM 0 HE2 MET A 191 -13.614 46.519 -28.602 1.00 34.42 H new ATOM 0 HE3 MET A 191 -13.005 48.174 -28.362 1.00 34.42 H new ATOM 286 N ARG A 192 -9.590 46.829 -32.644 1.00 54.31 N ATOM 287 CA ARG A 192 -9.150 46.023 -33.780 1.00 71.24 C ATOM 288 C ARG A 192 -8.304 44.808 -33.403 1.00 74.33 C ATOM 289 O ARG A 192 -8.162 43.913 -34.241 1.00 44.54 O ATOM 290 CB ARG A 192 -8.377 46.942 -34.733 1.00 53.03 C ATOM 291 CG ARG A 192 -8.820 46.759 -36.187 1.00 10.34 C ATOM 292 CD ARG A 192 -8.386 47.980 -36.987 1.00 64.52 C ATOM 293 NE ARG A 192 -6.926 48.041 -37.165 1.00 53.10 N ATOM 294 CZ ARG A 192 -6.240 47.769 -38.278 1.00 23.44 C ATOM 295 NH1 ARG A 192 -6.812 47.250 -39.356 1.00 33.24 N1+ ATOM 296 NH2 ARG A 192 -4.939 48.022 -38.302 1.00 13.53 N ATOM 0 H ARG A 192 -8.854 46.981 -31.954 1.00 54.31 H new ATOM 0 HA ARG A 192 -10.039 45.605 -34.253 1.00 71.24 H new ATOM 0 HB2 ARG A 192 -8.525 47.980 -34.436 1.00 53.03 H new ATOM 0 HB3 ARG A 192 -7.310 46.736 -34.650 1.00 53.03 H new ATOM 0 HG2 ARG A 192 -8.377 45.856 -36.606 1.00 10.34 H new ATOM 0 HG3 ARG A 192 -9.902 46.638 -36.240 1.00 10.34 H new ATOM 0 HD2 ARG A 192 -8.868 47.962 -37.964 1.00 64.52 H new ATOM 0 HD3 ARG A 192 -8.726 48.883 -36.480 1.00 64.52 H new ATOM 0 HE ARG A 192 -6.380 48.321 -36.351 1.00 53.10 H new ATOM 0 HH11 ARG A 192 -7.811 47.044 -39.354 1.00 33.24 H new ATOM 0 HH12 ARG A 192 -6.253 47.057 -40.187 1.00 33.24 H new ATOM 0 HH21 ARG A 192 -4.481 48.417 -37.481 1.00 13.53 H new ATOM 0 HH22 ARG A 192 -4.396 47.822 -39.142 1.00 13.53 H new ATOM 310 N THR A 193 -7.746 44.757 -32.195 1.00 21.21 N ATOM 311 CA THR A 193 -6.903 43.679 -31.688 1.00 71.03 C ATOM 312 C THR A 193 -6.777 43.837 -30.165 1.00 61.34 C ATOM 313 O THR A 193 -5.994 44.661 -29.676 1.00 73.14 O ATOM 314 CB THR A 193 -5.522 43.636 -32.374 1.00 53.20 C ATOM 315 OG1 THR A 193 -5.164 44.847 -33.035 1.00 41.42 O ATOM 316 CG2 THR A 193 -5.375 42.482 -33.378 1.00 75.33 C ATOM 0 H THR A 193 -7.876 45.503 -31.511 1.00 21.21 H new ATOM 0 HA THR A 193 -7.372 42.723 -31.922 1.00 71.03 H new ATOM 0 HB THR A 193 -4.840 43.479 -31.538 1.00 53.20 H new ATOM 0 HG1 THR A 193 -4.279 44.747 -33.444 1.00 41.42 H new ATOM 0 HG21 THR A 193 -4.380 42.511 -33.823 1.00 75.33 H new ATOM 0 HG22 THR A 193 -5.514 41.532 -32.863 1.00 75.33 H new ATOM 0 HG23 THR A 193 -6.126 42.583 -34.161 1.00 75.33 H new ATOM 324 N TYR A 194 -7.554 43.060 -29.405 1.00 32.21 N ATOM 325 CA TYR A 194 -7.434 42.958 -27.946 1.00 24.41 C ATOM 326 C TYR A 194 -7.967 41.631 -27.388 1.00 2.42 C ATOM 327 O TYR A 194 -8.253 41.491 -26.198 1.00 43.14 O ATOM 328 CB TYR A 194 -8.109 44.170 -27.287 1.00 72.14 C ATOM 329 CG TYR A 194 -7.677 44.456 -25.865 1.00 73.13 C ATOM 330 CD1 TYR A 194 -6.381 44.923 -25.578 1.00 45.31 C ATOM 331 CD2 TYR A 194 -8.594 44.273 -24.822 1.00 72.31 C ATOM 332 CE1 TYR A 194 -6.005 45.199 -24.247 1.00 5.30 C ATOM 333 CE2 TYR A 194 -8.234 44.549 -23.498 1.00 32.21 C ATOM 334 CZ TYR A 194 -6.933 45.001 -23.198 1.00 42.51 C ATOM 335 OH TYR A 194 -6.604 45.226 -21.897 1.00 72.23 O ATOM 0 H TYR A 194 -8.295 42.475 -29.791 1.00 32.21 H new ATOM 0 HA TYR A 194 -6.372 42.965 -27.699 1.00 24.41 H new ATOM 0 HB2 TYR A 194 -7.908 45.052 -27.895 1.00 72.14 H new ATOM 0 HB3 TYR A 194 -9.188 44.015 -27.297 1.00 72.14 H new ATOM 0 HD1 TYR A 194 -5.672 45.071 -26.379 1.00 45.31 H new ATOM 0 HD2 TYR A 194 -9.589 43.915 -25.042 1.00 72.31 H new ATOM 0 HE1 TYR A 194 -5.011 45.561 -24.029 1.00 5.30 H new ATOM 0 HE2 TYR A 194 -8.954 44.415 -22.705 1.00 32.21 H new ATOM 0 HH TYR A 194 -7.377 45.034 -21.326 1.00 72.23 H new ATOM 345 N SER A 195 -8.127 40.621 -28.233 1.00 32.13 N ATOM 346 CA SER A 195 -8.483 39.261 -27.833 1.00 10.15 C ATOM 347 C SER A 195 -7.966 38.304 -28.904 1.00 61.15 C ATOM 348 O SER A 195 -8.209 38.532 -30.093 1.00 42.40 O ATOM 349 CB SER A 195 -10.006 39.132 -27.668 1.00 65.44 C ATOM 350 OG SER A 195 -10.550 40.056 -26.738 1.00 24.24 O ATOM 0 H SER A 195 -8.011 40.725 -29.241 1.00 32.13 H new ATOM 0 HA SER A 195 -8.031 39.018 -26.872 1.00 10.15 H new ATOM 0 HB2 SER A 195 -10.483 39.279 -28.637 1.00 65.44 H new ATOM 0 HB3 SER A 195 -10.245 38.119 -27.345 1.00 65.44 H new ATOM 0 HG SER A 195 -9.825 40.568 -26.323 1.00 24.24 H new ATOM 356 N LYS A 196 -7.230 37.259 -28.519 1.00 35.23 N ATOM 357 CA LYS A 196 -6.756 36.235 -29.444 1.00 32.13 C ATOM 358 C LYS A 196 -6.590 34.921 -28.677 1.00 0.52 C ATOM 359 O LYS A 196 -5.475 34.543 -28.310 1.00 54.11 O ATOM 360 CB LYS A 196 -5.469 36.728 -30.141 1.00 20.51 C ATOM 361 CG LYS A 196 -5.392 36.116 -31.541 1.00 51.31 C ATOM 362 CD LYS A 196 -4.170 36.574 -32.335 1.00 13.40 C ATOM 363 CE LYS A 196 -2.895 35.861 -31.896 1.00 13.14 C ATOM 364 NZ LYS A 196 -1.842 35.981 -32.918 1.00 11.14 N1+ ATOM 0 H LYS A 196 -6.946 37.101 -27.552 1.00 35.23 H new ATOM 0 HA LYS A 196 -7.475 36.046 -30.241 1.00 32.13 H new ATOM 0 HB2 LYS A 196 -5.470 37.816 -30.206 1.00 20.51 H new ATOM 0 HB3 LYS A 196 -4.593 36.444 -29.558 1.00 20.51 H new ATOM 0 HG2 LYS A 196 -5.374 35.030 -31.454 1.00 51.31 H new ATOM 0 HG3 LYS A 196 -6.294 36.377 -32.094 1.00 51.31 H new ATOM 0 HD2 LYS A 196 -4.339 36.391 -33.396 1.00 13.40 H new ATOM 0 HD3 LYS A 196 -4.043 37.650 -32.213 1.00 13.40 H new ATOM 0 HE2 LYS A 196 -2.543 36.285 -30.955 1.00 13.14 H new ATOM 0 HE3 LYS A 196 -3.109 34.808 -31.711 1.00 13.14 H new ATOM 0 HZ1 LYS A 196 -0.986 35.487 -32.594 1.00 11.14 H new ATOM 0 HZ2 LYS A 196 -2.172 35.555 -33.808 1.00 11.14 H new ATOM 0 HZ3 LYS A 196 -1.624 36.986 -33.075 1.00 11.14 H new ATOM 378 N GLN A 197 -7.697 34.251 -28.368 1.00 54.34 N ATOM 379 CA GLN A 197 -7.752 33.138 -27.424 1.00 31.24 C ATOM 380 C GLN A 197 -8.946 32.243 -27.738 1.00 14.24 C ATOM 381 O GLN A 197 -10.035 32.758 -27.991 1.00 54.12 O ATOM 382 CB GLN A 197 -7.843 33.708 -26.000 1.00 52.12 C ATOM 383 CG GLN A 197 -8.975 34.732 -25.752 1.00 43.43 C ATOM 384 CD GLN A 197 -8.824 35.458 -24.417 1.00 62.31 C ATOM 385 OE1 GLN A 197 -7.792 35.388 -23.756 1.00 22.03 O ATOM 386 NE2 GLN A 197 -9.821 36.215 -23.991 1.00 44.20 N ATOM 0 H GLN A 197 -8.604 34.473 -28.778 1.00 54.34 H new ATOM 0 HA GLN A 197 -6.853 32.528 -27.507 1.00 31.24 H new ATOM 0 HB2 GLN A 197 -7.972 32.878 -25.305 1.00 52.12 H new ATOM 0 HB3 GLN A 197 -6.892 34.182 -25.758 1.00 52.12 H new ATOM 0 HG2 GLN A 197 -8.983 35.463 -26.561 1.00 43.43 H new ATOM 0 HG3 GLN A 197 -9.936 34.219 -25.776 1.00 43.43 H new ATOM 0 HE21 GLN A 197 -10.682 36.278 -24.535 1.00 44.20 H new ATOM 0 HE22 GLN A 197 -9.729 36.736 -23.119 1.00 44.20 H new ATOM 395 N SER A 198 -8.753 30.921 -27.749 1.00 41.44 N ATOM 396 CA SER A 198 -9.805 29.983 -28.129 1.00 54.41 C ATOM 397 C SER A 198 -9.475 28.553 -27.703 1.00 63.14 C ATOM 398 O SER A 198 -9.363 27.653 -28.539 1.00 14.14 O ATOM 399 CB SER A 198 -10.031 30.114 -29.644 1.00 23.42 C ATOM 400 OG SER A 198 -8.838 29.903 -30.403 1.00 4.34 O ATOM 0 H SER A 198 -7.870 30.477 -27.497 1.00 41.44 H new ATOM 0 HA SER A 198 -10.730 30.227 -27.606 1.00 54.41 H new ATOM 0 HB2 SER A 198 -10.787 29.394 -29.957 1.00 23.42 H new ATOM 0 HB3 SER A 198 -10.425 31.106 -29.863 1.00 23.42 H new ATOM 0 HG SER A 198 -8.434 29.048 -30.146 1.00 4.34 H new ATOM 406 N LYS A 199 -9.227 28.356 -26.409 1.00 11.23 N ATOM 407 CA LYS A 199 -8.660 27.112 -25.881 1.00 2.21 C ATOM 408 C LYS A 199 -8.962 26.947 -24.386 1.00 2.30 C ATOM 409 O LYS A 199 -8.191 27.462 -23.573 1.00 75.01 O ATOM 410 CB LYS A 199 -7.165 26.969 -26.229 1.00 55.42 C ATOM 411 CG LYS A 199 -6.257 28.163 -25.885 1.00 60.32 C ATOM 412 CD LYS A 199 -4.835 27.854 -26.370 1.00 62.24 C ATOM 413 CE LYS A 199 -3.788 28.782 -25.754 1.00 63.50 C ATOM 414 NZ LYS A 199 -3.470 28.441 -24.353 1.00 45.33 N1+ ATOM 0 H LYS A 199 -9.414 29.057 -25.692 1.00 11.23 H new ATOM 0 HA LYS A 199 -9.156 26.279 -26.380 1.00 2.21 H new ATOM 0 HB2 LYS A 199 -6.779 26.089 -25.715 1.00 55.42 H new ATOM 0 HB3 LYS A 199 -7.082 26.775 -27.298 1.00 55.42 H new ATOM 0 HG2 LYS A 199 -6.630 29.070 -26.360 1.00 60.32 H new ATOM 0 HG3 LYS A 199 -6.259 28.342 -24.810 1.00 60.32 H new ATOM 0 HD2 LYS A 199 -4.588 26.821 -26.125 1.00 62.24 H new ATOM 0 HD3 LYS A 199 -4.799 27.942 -27.456 1.00 62.24 H new ATOM 0 HE2 LYS A 199 -2.876 28.738 -26.349 1.00 63.50 H new ATOM 0 HE3 LYS A 199 -4.149 29.809 -25.799 1.00 63.50 H new ATOM 0 HZ1 LYS A 199 -2.755 29.103 -23.988 1.00 45.33 H new ATOM 0 HZ2 LYS A 199 -4.332 28.509 -23.775 1.00 45.33 H new ATOM 0 HZ3 LYS A 199 -3.098 27.471 -24.308 1.00 45.33 H new ATOM 428 N PRO A 200 -10.108 26.373 -23.989 1.00 22.33 N ATOM 429 CA PRO A 200 -10.403 26.062 -22.592 1.00 61.21 C ATOM 430 C PRO A 200 -9.527 24.897 -22.089 1.00 63.15 C ATOM 431 O PRO A 200 -8.531 24.517 -22.714 1.00 70.42 O ATOM 432 CB PRO A 200 -11.898 25.732 -22.596 1.00 43.42 C ATOM 433 CG PRO A 200 -12.074 25.026 -23.931 1.00 75.53 C ATOM 434 CD PRO A 200 -11.142 25.817 -24.850 1.00 21.14 C ATOM 0 HA PRO A 200 -10.180 26.881 -21.909 1.00 61.21 H new ATOM 0 HB2 PRO A 200 -12.175 25.092 -21.758 1.00 43.42 H new ATOM 0 HB3 PRO A 200 -12.512 26.630 -22.527 1.00 43.42 H new ATOM 0 HG2 PRO A 200 -11.792 23.975 -23.874 1.00 75.53 H new ATOM 0 HG3 PRO A 200 -13.108 25.060 -24.275 1.00 75.53 H new ATOM 0 HD2 PRO A 200 -10.708 25.172 -25.615 1.00 21.14 H new ATOM 0 HD3 PRO A 200 -11.684 26.607 -25.369 1.00 21.14 H new ATOM 442 N LEU A 201 -9.861 24.368 -20.913 1.00 44.43 N ATOM 443 CA LEU A 201 -9.400 23.096 -20.367 1.00 11.42 C ATOM 444 C LEU A 201 -10.548 22.569 -19.524 1.00 51.40 C ATOM 445 O LEU A 201 -11.073 23.316 -18.699 1.00 54.24 O ATOM 446 CB LEU A 201 -8.190 23.283 -19.436 1.00 24.05 C ATOM 447 CG LEU A 201 -6.806 23.308 -20.092 1.00 44.05 C ATOM 448 CD1 LEU A 201 -5.787 23.693 -19.016 1.00 42.43 C ATOM 449 CD2 LEU A 201 -6.439 21.946 -20.697 1.00 3.33 C ATOM 0 H LEU A 201 -10.500 24.847 -20.278 1.00 44.43 H new ATOM 0 HA LEU A 201 -9.106 22.429 -21.178 1.00 11.42 H new ATOM 0 HB2 LEU A 201 -8.323 24.217 -18.890 1.00 24.05 H new ATOM 0 HB3 LEU A 201 -8.202 22.479 -18.700 1.00 24.05 H new ATOM 0 HG LEU A 201 -6.807 24.030 -20.908 1.00 44.05 H new ATOM 0 HD11 LEU A 201 -4.789 23.719 -19.453 1.00 42.43 H new ATOM 0 HD12 LEU A 201 -6.034 24.676 -18.616 1.00 42.43 H new ATOM 0 HD13 LEU A 201 -5.812 22.958 -18.212 1.00 42.43 H new ATOM 0 HD21 LEU A 201 -5.451 22.005 -21.153 1.00 3.33 H new ATOM 0 HD22 LEU A 201 -6.433 21.189 -19.913 1.00 3.33 H new ATOM 0 HD23 LEU A 201 -7.173 21.675 -21.456 1.00 3.33 H new ATOM 461 N PHE A 202 -10.943 21.314 -19.722 1.00 5.10 N ATOM 462 CA PHE A 202 -11.976 20.681 -18.903 1.00 64.12 C ATOM 463 C PHE A 202 -11.836 19.147 -18.891 1.00 52.51 C ATOM 464 O PHE A 202 -12.791 18.412 -18.608 1.00 4.24 O ATOM 465 CB PHE A 202 -13.361 21.183 -19.348 1.00 64.31 C ATOM 466 CG PHE A 202 -14.287 21.412 -18.167 1.00 42.43 C ATOM 467 CD1 PHE A 202 -14.076 22.511 -17.310 1.00 30.41 C ATOM 468 CD2 PHE A 202 -15.325 20.509 -17.888 1.00 65.05 C ATOM 469 CE1 PHE A 202 -14.876 22.680 -16.167 1.00 24.05 C ATOM 470 CE2 PHE A 202 -16.131 20.684 -16.750 1.00 14.43 C ATOM 471 CZ PHE A 202 -15.891 21.755 -15.877 1.00 35.32 C ATOM 0 H PHE A 202 -10.560 20.710 -20.449 1.00 5.10 H new ATOM 0 HA PHE A 202 -11.849 20.974 -17.861 1.00 64.12 H new ATOM 0 HB2 PHE A 202 -13.248 22.112 -19.906 1.00 64.31 H new ATOM 0 HB3 PHE A 202 -13.810 20.457 -20.026 1.00 64.31 H new ATOM 0 HD1 PHE A 202 -13.297 23.225 -17.532 1.00 30.41 H new ATOM 0 HD2 PHE A 202 -15.505 19.676 -18.551 1.00 65.05 H new ATOM 0 HE1 PHE A 202 -14.710 23.522 -15.511 1.00 24.05 H new ATOM 0 HE2 PHE A 202 -16.936 19.993 -16.548 1.00 14.43 H new ATOM 0 HZ PHE A 202 -16.486 21.868 -14.983 1.00 35.32 H new ATOM 481 N SER A 203 -10.640 18.660 -19.232 1.00 15.14 N ATOM 482 CA SER A 203 -10.208 17.285 -19.063 1.00 33.33 C ATOM 483 C SER A 203 -8.698 17.279 -18.815 1.00 3.11 C ATOM 484 O SER A 203 -8.010 18.268 -19.117 1.00 43.21 O ATOM 485 CB SER A 203 -10.571 16.482 -20.322 1.00 34.23 C ATOM 486 OG SER A 203 -9.877 16.938 -21.475 1.00 54.15 O ATOM 0 H SER A 203 -9.919 19.247 -19.652 1.00 15.14 H new ATOM 0 HA SER A 203 -10.706 16.822 -18.212 1.00 33.33 H new ATOM 0 HB2 SER A 203 -10.342 15.429 -20.156 1.00 34.23 H new ATOM 0 HB3 SER A 203 -11.645 16.551 -20.497 1.00 34.23 H new ATOM 0 HG SER A 203 -10.138 16.397 -22.249 1.00 54.15 H new ATOM 492 N ASN A 204 -8.146 16.143 -18.392 1.00 33.34 N ATOM 493 CA ASN A 204 -6.703 15.900 -18.435 1.00 23.22 C ATOM 494 C ASN A 204 -6.332 14.462 -18.775 1.00 63.13 C ATOM 495 O ASN A 204 -5.376 14.209 -19.511 1.00 34.55 O ATOM 496 CB ASN A 204 -6.043 16.383 -17.133 1.00 43.13 C ATOM 497 CG ASN A 204 -4.961 17.391 -17.466 1.00 52.12 C ATOM 498 OD1 ASN A 204 -3.777 17.121 -17.320 1.00 12.14 O ATOM 499 ND2 ASN A 204 -5.345 18.554 -17.967 1.00 65.03 N ATOM 0 H ASN A 204 -8.685 15.365 -18.010 1.00 33.34 H new ATOM 0 HA ASN A 204 -6.306 16.488 -19.263 1.00 23.22 H new ATOM 0 HB2 ASN A 204 -6.789 16.835 -16.479 1.00 43.13 H new ATOM 0 HB3 ASN A 204 -5.616 15.538 -16.593 1.00 43.13 H new ATOM 0 HD21 ASN A 204 -4.648 19.247 -18.240 1.00 65.03 H new ATOM 0 HD22 ASN A 204 -6.338 18.758 -18.080 1.00 65.03 H new ATOM 506 N LYS A 205 -7.132 13.521 -18.298 1.00 32.23 N ATOM 507 CA LYS A 205 -7.085 12.104 -18.649 1.00 5.31 C ATOM 508 C LYS A 205 -8.517 11.602 -18.706 1.00 74.31 C ATOM 509 O LYS A 205 -9.312 11.963 -17.835 1.00 44.22 O ATOM 510 CB LYS A 205 -6.298 11.309 -17.595 1.00 4.33 C ATOM 511 CG LYS A 205 -4.773 11.426 -17.739 1.00 24.12 C ATOM 512 CD LYS A 205 -4.066 12.350 -16.746 1.00 43.10 C ATOM 513 CE LYS A 205 -2.555 12.181 -16.967 1.00 53.42 C ATOM 514 NZ LYS A 205 -1.749 12.957 -16.008 1.00 41.42 N1+ ATOM 0 H LYS A 205 -7.868 13.731 -17.623 1.00 32.23 H new ATOM 0 HA LYS A 205 -6.585 11.972 -19.608 1.00 5.31 H new ATOM 0 HB2 LYS A 205 -6.587 11.655 -16.603 1.00 4.33 H new ATOM 0 HB3 LYS A 205 -6.580 10.258 -17.661 1.00 4.33 H new ATOM 0 HG2 LYS A 205 -4.343 10.429 -17.644 1.00 24.12 H new ATOM 0 HG3 LYS A 205 -4.551 11.774 -18.748 1.00 24.12 H new ATOM 0 HD2 LYS A 205 -4.365 13.386 -16.905 1.00 43.10 H new ATOM 0 HD3 LYS A 205 -4.336 12.093 -15.722 1.00 43.10 H new ATOM 0 HE2 LYS A 205 -2.296 11.126 -16.883 1.00 53.42 H new ATOM 0 HE3 LYS A 205 -2.303 12.491 -17.981 1.00 53.42 H new ATOM 0 HZ1 LYS A 205 -0.738 12.807 -16.202 1.00 41.42 H new ATOM 0 HZ2 LYS A 205 -1.973 13.968 -16.104 1.00 41.42 H new ATOM 0 HZ3 LYS A 205 -1.966 12.645 -15.040 1.00 41.42 H new ATOM 528 N ARG A 206 -8.868 10.810 -19.722 1.00 72.04 N ATOM 529 CA ARG A 206 -10.213 10.242 -19.837 1.00 44.22 C ATOM 530 C ARG A 206 -10.240 8.813 -20.379 1.00 14.02 C ATOM 531 O ARG A 206 -11.275 8.164 -20.226 1.00 71.11 O ATOM 532 CB ARG A 206 -11.106 11.156 -20.702 1.00 34.22 C ATOM 533 CG ARG A 206 -11.677 12.392 -19.980 1.00 44.22 C ATOM 534 CD ARG A 206 -12.600 11.998 -18.816 1.00 73.05 C ATOM 535 NE ARG A 206 -13.519 13.085 -18.438 1.00 44.20 N ATOM 536 CZ ARG A 206 -14.705 12.938 -17.834 1.00 1.34 C ATOM 537 NH1 ARG A 206 -15.132 11.732 -17.482 1.00 3.11 N1+ ATOM 538 NH2 ARG A 206 -15.472 13.996 -17.589 1.00 20.34 N ATOM 0 H ARG A 206 -8.237 10.547 -20.479 1.00 72.04 H new ATOM 0 HA ARG A 206 -10.604 10.187 -18.821 1.00 44.22 H new ATOM 0 HB2 ARG A 206 -10.528 11.493 -21.562 1.00 34.22 H new ATOM 0 HB3 ARG A 206 -11.937 10.565 -21.088 1.00 34.22 H new ATOM 0 HG2 ARG A 206 -10.857 13.003 -19.603 1.00 44.22 H new ATOM 0 HG3 ARG A 206 -12.231 13.005 -20.691 1.00 44.22 H new ATOM 0 HD2 ARG A 206 -13.178 11.117 -19.096 1.00 73.05 H new ATOM 0 HD3 ARG A 206 -11.995 11.721 -17.953 1.00 73.05 H new ATOM 0 HE ARG A 206 -13.225 14.037 -18.656 1.00 44.20 H new ATOM 0 HH11 ARG A 206 -14.556 10.912 -17.671 1.00 3.11 H new ATOM 0 HH12 ARG A 206 -16.036 11.625 -17.022 1.00 3.11 H new ATOM 0 HH21 ARG A 206 -15.158 14.927 -17.862 1.00 20.34 H new ATOM 0 HH22 ARG A 206 -16.374 13.876 -17.129 1.00 20.34 H new ATOM 552 N LYS A 207 -9.189 8.283 -21.019 1.00 13.45 N ATOM 553 CA LYS A 207 -9.291 6.987 -21.703 1.00 44.04 C ATOM 554 C LYS A 207 -9.138 5.772 -20.804 1.00 62.01 C ATOM 555 O LYS A 207 -9.210 4.647 -21.294 1.00 42.43 O ATOM 556 CB LYS A 207 -8.238 6.910 -22.827 1.00 24.21 C ATOM 557 CG LYS A 207 -8.746 7.423 -24.174 1.00 43.43 C ATOM 558 CD LYS A 207 -9.723 6.421 -24.806 1.00 14.11 C ATOM 559 CE LYS A 207 -10.131 6.774 -26.240 1.00 12.52 C ATOM 560 NZ LYS A 207 -8.975 6.927 -27.145 1.00 13.51 N1+ ATOM 0 H LYS A 207 -8.271 8.724 -21.077 1.00 13.45 H new ATOM 0 HA LYS A 207 -10.308 6.948 -22.095 1.00 44.04 H new ATOM 0 HB2 LYS A 207 -7.362 7.489 -22.534 1.00 24.21 H new ATOM 0 HB3 LYS A 207 -7.914 5.876 -22.940 1.00 24.21 H new ATOM 0 HG2 LYS A 207 -9.241 8.385 -24.039 1.00 43.43 H new ATOM 0 HG3 LYS A 207 -7.904 7.590 -24.846 1.00 43.43 H new ATOM 0 HD2 LYS A 207 -9.267 5.431 -24.801 1.00 14.11 H new ATOM 0 HD3 LYS A 207 -10.619 6.362 -24.188 1.00 14.11 H new ATOM 0 HE2 LYS A 207 -10.789 5.996 -26.627 1.00 12.52 H new ATOM 0 HE3 LYS A 207 -10.705 7.701 -26.231 1.00 12.52 H new ATOM 0 HZ1 LYS A 207 -9.306 6.946 -28.131 1.00 13.51 H new ATOM 0 HZ2 LYS A 207 -8.480 7.816 -26.929 1.00 13.51 H new ATOM 0 HZ3 LYS A 207 -8.323 6.127 -27.014 1.00 13.51 H new ATOM 574 N ILE A 208 -8.997 5.982 -19.511 1.00 1.30 N ATOM 575 CA ILE A 208 -8.367 5.031 -18.608 1.00 11.50 C ATOM 576 C ILE A 208 -9.326 4.796 -17.461 1.00 21.22 C ATOM 577 O ILE A 208 -9.695 5.746 -16.764 1.00 5.12 O ATOM 578 CB ILE A 208 -6.981 5.525 -18.130 1.00 32.34 C ATOM 579 CG1 ILE A 208 -6.134 6.057 -19.312 1.00 21.11 C ATOM 580 CG2 ILE A 208 -6.279 4.376 -17.390 1.00 34.12 C ATOM 581 CD1 ILE A 208 -4.782 6.611 -18.878 1.00 64.43 C ATOM 0 H ILE A 208 -9.321 6.831 -19.047 1.00 1.30 H new ATOM 0 HA ILE A 208 -8.170 4.090 -19.122 1.00 11.50 H new ATOM 0 HB ILE A 208 -7.106 6.364 -17.445 1.00 32.34 H new ATOM 0 HG12 ILE A 208 -5.976 5.252 -20.030 1.00 21.11 H new ATOM 0 HG13 ILE A 208 -6.692 6.839 -19.828 1.00 21.11 H new ATOM 0 HG21 ILE A 208 -5.300 4.709 -17.047 1.00 34.12 H new ATOM 0 HG22 ILE A 208 -6.881 4.074 -16.533 1.00 34.12 H new ATOM 0 HG23 ILE A 208 -6.158 3.529 -18.065 1.00 34.12 H new ATOM 0 HD11 ILE A 208 -4.237 6.968 -19.752 1.00 64.43 H new ATOM 0 HD12 ILE A 208 -4.933 7.437 -18.183 1.00 64.43 H new ATOM 0 HD13 ILE A 208 -4.207 5.825 -18.388 1.00 64.43 H new ATOM 593 N HIS A 209 -9.748 3.543 -17.311 1.00 41.32 N ATOM 594 CA HIS A 209 -10.608 3.142 -16.215 1.00 63.01 C ATOM 595 C HIS A 209 -9.862 3.269 -14.890 1.00 55.52 C ATOM 596 O HIS A 209 -8.654 3.035 -14.832 1.00 14.34 O ATOM 597 CB HIS A 209 -11.073 1.696 -16.417 1.00 3.24 C ATOM 598 CG HIS A 209 -12.497 1.491 -15.961 1.00 14.44 C ATOM 599 ND1 HIS A 209 -12.927 0.715 -14.909 1.00 43.42 N ATOM 600 CD2 HIS A 209 -13.605 2.047 -16.540 1.00 41.34 C ATOM 601 CE1 HIS A 209 -14.268 0.813 -14.860 1.00 35.43 C ATOM 602 NE2 HIS A 209 -14.725 1.628 -15.823 1.00 2.45 N ATOM 0 H HIS A 209 -9.501 2.784 -17.946 1.00 41.32 H new ATOM 0 HA HIS A 209 -11.480 3.796 -16.193 1.00 63.01 H new ATOM 0 HB2 HIS A 209 -10.988 1.432 -17.471 1.00 3.24 H new ATOM 0 HB3 HIS A 209 -10.416 1.023 -15.866 1.00 3.24 H new ATOM 0 HD2 HIS A 209 -13.611 2.697 -17.402 1.00 41.34 H new ATOM 0 HE1 HIS A 209 -14.893 0.304 -14.142 1.00 35.43 H new ATOM 0 HE2 HIS A 209 -15.696 1.888 -15.996 1.00 2.45 H new ATOM 610 N LEU A 210 -10.598 3.532 -13.805 1.00 24.30 N ATOM 611 CA LEU A 210 -10.021 3.639 -12.465 1.00 74.33 C ATOM 612 C LEU A 210 -9.248 2.373 -12.106 1.00 64.15 C ATOM 613 O LEU A 210 -8.139 2.434 -11.578 1.00 4.22 O ATOM 614 CB LEU A 210 -11.134 3.907 -11.425 1.00 35.43 C ATOM 615 CG LEU A 210 -10.817 5.021 -10.412 1.00 23.31 C ATOM 616 CD1 LEU A 210 -9.520 4.795 -9.630 1.00 42.23 C ATOM 617 CD2 LEU A 210 -10.792 6.388 -11.105 1.00 61.45 C ATOM 0 H LEU A 210 -11.607 3.676 -13.833 1.00 24.30 H new ATOM 0 HA LEU A 210 -9.323 4.476 -12.455 1.00 74.33 H new ATOM 0 HB2 LEU A 210 -12.051 4.167 -11.954 1.00 35.43 H new ATOM 0 HB3 LEU A 210 -11.331 2.984 -10.879 1.00 35.43 H new ATOM 0 HG LEU A 210 -11.622 4.996 -9.677 1.00 23.31 H new ATOM 0 HD11 LEU A 210 -9.365 5.621 -8.936 1.00 42.23 H new ATOM 0 HD12 LEU A 210 -9.590 3.861 -9.072 1.00 42.23 H new ATOM 0 HD13 LEU A 210 -8.681 4.741 -10.324 1.00 42.23 H new ATOM 0 HD21 LEU A 210 -10.566 7.163 -10.373 1.00 61.45 H new ATOM 0 HD22 LEU A 210 -10.027 6.388 -11.881 1.00 61.45 H new ATOM 0 HD23 LEU A 210 -11.765 6.586 -11.555 1.00 61.45 H new ATOM 629 N SER A 211 -9.839 1.233 -12.449 1.00 3.02 N ATOM 630 CA SER A 211 -9.369 -0.097 -12.124 1.00 64.31 C ATOM 631 C SER A 211 -8.061 -0.478 -12.816 1.00 54.04 C ATOM 632 O SER A 211 -7.532 -1.543 -12.498 1.00 2.11 O ATOM 633 CB SER A 211 -10.490 -1.086 -12.462 1.00 73.53 C ATOM 634 OG SER A 211 -10.859 -0.937 -13.822 1.00 23.32 O ATOM 0 H SER A 211 -10.704 1.218 -12.990 1.00 3.02 H new ATOM 0 HA SER A 211 -9.132 -0.126 -11.060 1.00 64.31 H new ATOM 0 HB2 SER A 211 -10.157 -2.107 -12.274 1.00 73.53 H new ATOM 0 HB3 SER A 211 -11.352 -0.908 -11.819 1.00 73.53 H new ATOM 0 HG SER A 211 -11.624 -0.328 -13.889 1.00 23.32 H new ATOM 640 N GLU A 212 -7.532 0.315 -13.753 1.00 61.43 N ATOM 641 CA GLU A 212 -6.307 -0.008 -14.444 1.00 71.32 C ATOM 642 C GLU A 212 -5.100 -0.044 -13.502 1.00 51.54 C ATOM 643 O GLU A 212 -4.283 -0.963 -13.599 1.00 40.14 O ATOM 644 CB GLU A 212 -6.090 0.970 -15.591 1.00 52.21 C ATOM 645 CG GLU A 212 -5.196 0.278 -16.616 1.00 41.53 C ATOM 646 CD GLU A 212 -4.564 1.205 -17.653 1.00 31.35 C ATOM 647 OE1 GLU A 212 -3.946 2.221 -17.276 1.00 24.25 O1- ATOM 648 OE2 GLU A 212 -4.600 0.855 -18.855 1.00 43.43 O ATOM 0 H GLU A 212 -7.952 1.198 -14.045 1.00 61.43 H new ATOM 0 HA GLU A 212 -6.405 -1.014 -14.851 1.00 71.32 H new ATOM 0 HB2 GLU A 212 -7.042 1.252 -16.040 1.00 52.21 H new ATOM 0 HB3 GLU A 212 -5.623 1.887 -15.231 1.00 52.21 H new ATOM 0 HG2 GLU A 212 -4.400 -0.246 -16.087 1.00 41.53 H new ATOM 0 HG3 GLU A 212 -5.784 -0.478 -17.137 1.00 41.53 H new ATOM 655 N LEU A 213 -4.990 0.909 -12.569 1.00 24.44 N ATOM 656 CA LEU A 213 -3.742 1.176 -11.851 1.00 44.23 C ATOM 657 C LEU A 213 -3.995 1.247 -10.347 1.00 32.50 C ATOM 658 O LEU A 213 -4.056 2.331 -9.766 1.00 52.31 O ATOM 659 CB LEU A 213 -3.040 2.412 -12.458 1.00 53.53 C ATOM 660 CG LEU A 213 -1.510 2.277 -12.572 1.00 40.33 C ATOM 661 CD1 LEU A 213 -0.813 2.059 -11.226 1.00 1.01 C ATOM 662 CD2 LEU A 213 -1.120 1.160 -13.554 1.00 32.21 C ATOM 0 H LEU A 213 -5.763 1.515 -12.292 1.00 24.44 H new ATOM 0 HA LEU A 213 -3.041 0.351 -11.978 1.00 44.23 H new ATOM 0 HB2 LEU A 213 -3.452 2.599 -13.450 1.00 53.53 H new ATOM 0 HB3 LEU A 213 -3.272 3.284 -11.847 1.00 53.53 H new ATOM 0 HG LEU A 213 -1.161 3.235 -12.957 1.00 40.33 H new ATOM 0 HD11 LEU A 213 0.262 1.973 -11.383 1.00 1.01 H new ATOM 0 HD12 LEU A 213 -1.017 2.905 -10.569 1.00 1.01 H new ATOM 0 HD13 LEU A 213 -1.187 1.144 -10.766 1.00 1.01 H new ATOM 0 HD21 LEU A 213 -0.034 1.090 -13.612 1.00 32.21 H new ATOM 0 HD22 LEU A 213 -1.527 0.211 -13.205 1.00 32.21 H new ATOM 0 HD23 LEU A 213 -1.523 1.387 -14.541 1.00 32.21 H new ATOM 674 N MET A 214 -4.119 0.050 -9.767 1.00 0.24 N ATOM 675 CA MET A 214 -4.684 -0.347 -8.485 1.00 32.05 C ATOM 676 C MET A 214 -6.045 0.283 -8.140 1.00 23.33 C ATOM 677 O MET A 214 -6.433 1.344 -8.636 1.00 53.34 O ATOM 678 CB MET A 214 -3.666 -0.215 -7.342 1.00 13.22 C ATOM 679 CG MET A 214 -3.314 1.225 -6.952 1.00 41.51 C ATOM 680 SD MET A 214 -2.458 1.335 -5.356 1.00 21.51 S ATOM 681 CE MET A 214 -2.422 3.127 -5.096 1.00 63.42 C ATOM 0 H MET A 214 -3.775 -0.774 -10.261 1.00 0.24 H new ATOM 0 HA MET A 214 -4.913 -1.406 -8.606 1.00 32.05 H new ATOM 0 HB2 MET A 214 -4.059 -0.728 -6.464 1.00 13.22 H new ATOM 0 HB3 MET A 214 -2.750 -0.732 -7.629 1.00 13.22 H new ATOM 0 HG2 MET A 214 -2.685 1.662 -7.727 1.00 41.51 H new ATOM 0 HG3 MET A 214 -4.227 1.818 -6.910 1.00 41.51 H new ATOM 0 HE1 MET A 214 -1.925 3.348 -4.152 1.00 63.42 H new ATOM 0 HE2 MET A 214 -1.878 3.602 -5.912 1.00 63.42 H new ATOM 0 HE3 MET A 214 -3.442 3.511 -5.067 1.00 63.42 H new ATOM 691 N LEU A 215 -6.762 -0.365 -7.220 1.00 34.21 N ATOM 692 CA LEU A 215 -7.992 0.131 -6.614 1.00 73.12 C ATOM 693 C LEU A 215 -7.970 -0.183 -5.120 1.00 63.53 C ATOM 694 O LEU A 215 -7.096 -0.915 -4.638 1.00 4.22 O ATOM 695 CB LEU A 215 -9.226 -0.432 -7.354 1.00 11.32 C ATOM 696 CG LEU A 215 -9.886 -1.726 -6.820 1.00 5.51 C ATOM 697 CD1 LEU A 215 -10.883 -2.218 -7.875 1.00 20.01 C ATOM 698 CD2 LEU A 215 -8.915 -2.862 -6.466 1.00 75.40 C ATOM 0 H LEU A 215 -6.490 -1.282 -6.866 1.00 34.21 H new ATOM 0 HA LEU A 215 -8.063 1.214 -6.714 1.00 73.12 H new ATOM 0 HB2 LEU A 215 -9.988 0.347 -7.366 1.00 11.32 H new ATOM 0 HB3 LEU A 215 -8.937 -0.611 -8.390 1.00 11.32 H new ATOM 0 HG LEU A 215 -10.365 -1.462 -5.877 1.00 5.51 H new ATOM 0 HD11 LEU A 215 -11.364 -3.131 -7.524 1.00 20.01 H new ATOM 0 HD12 LEU A 215 -11.640 -1.452 -8.046 1.00 20.01 H new ATOM 0 HD13 LEU A 215 -10.356 -2.421 -8.807 1.00 20.01 H new ATOM 0 HD21 LEU A 215 -9.478 -3.722 -6.102 1.00 75.40 H new ATOM 0 HD22 LEU A 215 -8.350 -3.148 -7.353 1.00 75.40 H new ATOM 0 HD23 LEU A 215 -8.227 -2.524 -5.691 1.00 75.40 H new ATOM 710 N GLU A 216 -8.940 0.340 -4.371 1.00 42.34 N ATOM 711 CA GLU A 216 -9.043 0.064 -2.945 1.00 21.22 C ATOM 712 C GLU A 216 -10.455 0.377 -2.441 1.00 61.20 C ATOM 713 O GLU A 216 -10.713 1.457 -1.892 1.00 11.33 O ATOM 714 CB GLU A 216 -7.970 0.840 -2.146 1.00 25.21 C ATOM 715 CG GLU A 216 -7.777 2.287 -2.636 1.00 54.02 C ATOM 716 CD GLU A 216 -7.160 3.213 -1.596 1.00 1.13 C ATOM 717 OE1 GLU A 216 -6.360 2.747 -0.755 1.00 44.35 O1- ATOM 718 OE2 GLU A 216 -7.446 4.428 -1.660 1.00 13.22 O ATOM 0 H GLU A 216 -9.666 0.959 -4.733 1.00 42.34 H new ATOM 0 HA GLU A 216 -8.856 -0.998 -2.787 1.00 21.22 H new ATOM 0 HB2 GLU A 216 -8.250 0.854 -1.093 1.00 25.21 H new ATOM 0 HB3 GLU A 216 -7.020 0.310 -2.216 1.00 25.21 H new ATOM 0 HG2 GLU A 216 -7.143 2.279 -3.523 1.00 54.02 H new ATOM 0 HG3 GLU A 216 -8.743 2.690 -2.939 1.00 54.02 H new ATOM 725 N LYS A 217 -11.404 -0.536 -2.654 1.00 71.23 N ATOM 726 CA LYS A 217 -12.776 -0.361 -2.185 1.00 24.12 C ATOM 727 C LYS A 217 -13.400 -1.736 -1.991 1.00 41.53 C ATOM 728 O LYS A 217 -14.008 -2.272 -2.921 1.00 65.12 O ATOM 729 CB LYS A 217 -13.536 0.545 -3.175 1.00 63.53 C ATOM 730 CG LYS A 217 -14.642 1.350 -2.475 1.00 33.31 C ATOM 731 CD LYS A 217 -15.272 2.405 -3.393 1.00 21.23 C ATOM 732 CE LYS A 217 -14.213 3.419 -3.848 1.00 11.23 C ATOM 733 NZ LYS A 217 -14.770 4.563 -4.588 1.00 34.23 N1+ ATOM 0 H LYS A 217 -11.243 -1.411 -3.153 1.00 71.23 H new ATOM 0 HA LYS A 217 -12.818 0.142 -1.219 1.00 24.12 H new ATOM 0 HB2 LYS A 217 -12.835 1.229 -3.654 1.00 63.53 H new ATOM 0 HB3 LYS A 217 -13.974 -0.066 -3.964 1.00 63.53 H new ATOM 0 HG2 LYS A 217 -15.417 0.668 -2.125 1.00 33.31 H new ATOM 0 HG3 LYS A 217 -14.228 1.840 -1.594 1.00 33.31 H new ATOM 0 HD2 LYS A 217 -15.718 1.921 -4.262 1.00 21.23 H new ATOM 0 HD3 LYS A 217 -16.076 2.920 -2.867 1.00 21.23 H new ATOM 0 HE2 LYS A 217 -13.677 3.789 -2.974 1.00 11.23 H new ATOM 0 HE3 LYS A 217 -13.483 2.911 -4.478 1.00 11.23 H new ATOM 0 HZ1 LYS A 217 -14.000 5.206 -4.864 1.00 34.23 H new ATOM 0 HZ2 LYS A 217 -15.258 4.221 -5.441 1.00 34.23 H new ATOM 0 HZ3 LYS A 217 -15.446 5.072 -3.983 1.00 34.23 H new ATOM 747 N CYS A 218 -13.186 -2.339 -0.825 1.00 72.34 N ATOM 748 CA CYS A 218 -13.550 -3.718 -0.530 1.00 52.25 C ATOM 749 C CYS A 218 -14.542 -3.712 0.641 1.00 53.24 C ATOM 750 O CYS A 218 -14.371 -2.909 1.560 1.00 3.44 O ATOM 751 CB CYS A 218 -12.256 -4.468 -0.166 1.00 41.44 C ATOM 752 SG CYS A 218 -12.455 -6.266 -0.259 1.00 24.22 S ATOM 0 H CYS A 218 -12.742 -1.866 -0.038 1.00 72.34 H new ATOM 0 HA CYS A 218 -14.023 -4.212 -1.379 1.00 52.25 H new ATOM 0 HB2 CYS A 218 -11.457 -4.158 -0.839 1.00 41.44 H new ATOM 0 HB3 CYS A 218 -11.949 -4.190 0.842 1.00 41.44 H new ATOM 0 HG CYS A 218 -11.666 -6.743 -1.175 1.00 24.22 H new ATOM 758 N PRO A 219 -15.540 -4.612 0.680 1.00 2.24 N ATOM 759 CA PRO A 219 -16.458 -4.690 1.811 1.00 23.03 C ATOM 760 C PRO A 219 -15.810 -5.314 3.053 1.00 53.55 C ATOM 761 O PRO A 219 -16.297 -5.077 4.159 1.00 51.44 O ATOM 762 CB PRO A 219 -17.646 -5.521 1.316 1.00 13.32 C ATOM 763 CG PRO A 219 -17.028 -6.416 0.244 1.00 34.20 C ATOM 764 CD PRO A 219 -15.965 -5.513 -0.382 1.00 63.34 C ATOM 0 HA PRO A 219 -16.765 -3.695 2.132 1.00 23.03 H new ATOM 0 HB2 PRO A 219 -18.091 -6.106 2.121 1.00 13.32 H new ATOM 0 HB3 PRO A 219 -18.435 -4.890 0.907 1.00 13.32 H new ATOM 0 HG2 PRO A 219 -16.591 -7.318 0.673 1.00 34.20 H new ATOM 0 HG3 PRO A 219 -17.767 -6.738 -0.489 1.00 34.20 H new ATOM 0 HD2 PRO A 219 -15.126 -6.098 -0.758 1.00 63.34 H new ATOM 0 HD3 PRO A 219 -16.371 -4.958 -1.228 1.00 63.34 H new ATOM 772 N PHE A 220 -14.742 -6.112 2.909 1.00 52.33 N ATOM 773 CA PHE A 220 -14.043 -6.676 4.049 1.00 13.33 C ATOM 774 C PHE A 220 -13.327 -5.551 4.802 1.00 31.11 C ATOM 775 O PHE A 220 -12.792 -4.644 4.159 1.00 61.21 O ATOM 776 CB PHE A 220 -13.029 -7.735 3.587 1.00 12.53 C ATOM 777 CG PHE A 220 -13.630 -8.919 2.851 1.00 53.04 C ATOM 778 CD1 PHE A 220 -14.677 -9.661 3.434 1.00 43.24 C ATOM 779 CD2 PHE A 220 -13.147 -9.285 1.579 1.00 11.32 C ATOM 780 CE1 PHE A 220 -15.254 -10.737 2.739 1.00 24.41 C ATOM 781 CE2 PHE A 220 -13.727 -10.359 0.884 1.00 35.04 C ATOM 782 CZ PHE A 220 -14.781 -11.087 1.462 1.00 24.35 C ATOM 0 H PHE A 220 -14.350 -6.376 2.005 1.00 52.33 H new ATOM 0 HA PHE A 220 -14.762 -7.160 4.711 1.00 13.33 H new ATOM 0 HB2 PHE A 220 -12.296 -7.256 2.937 1.00 12.53 H new ATOM 0 HB3 PHE A 220 -12.489 -8.104 4.459 1.00 12.53 H new ATOM 0 HD1 PHE A 220 -15.037 -9.401 4.419 1.00 43.24 H new ATOM 0 HD2 PHE A 220 -12.328 -8.738 1.137 1.00 11.32 H new ATOM 0 HE1 PHE A 220 -16.062 -11.296 3.186 1.00 24.41 H new ATOM 0 HE2 PHE A 220 -13.362 -10.626 -0.097 1.00 35.04 H new ATOM 0 HZ PHE A 220 -15.226 -11.913 0.927 1.00 24.35 H new ATOM 792 N PRO A 221 -13.242 -5.625 6.140 1.00 52.42 N ATOM 793 CA PRO A 221 -12.462 -4.692 6.933 1.00 64.02 C ATOM 794 C PRO A 221 -10.982 -4.833 6.574 1.00 52.52 C ATOM 795 O PRO A 221 -10.469 -5.942 6.380 1.00 61.24 O ATOM 796 CB PRO A 221 -12.750 -5.046 8.394 1.00 3.32 C ATOM 797 CG PRO A 221 -13.108 -6.530 8.329 1.00 31.34 C ATOM 798 CD PRO A 221 -13.812 -6.663 6.979 1.00 13.23 C ATOM 0 HA PRO A 221 -12.723 -3.650 6.746 1.00 64.02 H new ATOM 0 HB2 PRO A 221 -11.883 -4.868 9.030 1.00 3.32 H new ATOM 0 HB3 PRO A 221 -13.569 -4.451 8.799 1.00 3.32 H new ATOM 0 HG2 PRO A 221 -12.221 -7.161 8.384 1.00 31.34 H new ATOM 0 HG3 PRO A 221 -13.759 -6.823 9.153 1.00 31.34 H new ATOM 0 HD2 PRO A 221 -13.649 -7.650 6.547 1.00 13.23 H new ATOM 0 HD3 PRO A 221 -14.889 -6.535 7.084 1.00 13.23 H new ATOM 806 N ALA A 222 -10.300 -3.693 6.483 1.00 15.10 N ATOM 807 CA ALA A 222 -8.911 -3.620 6.069 1.00 33.50 C ATOM 808 C ALA A 222 -8.011 -4.275 7.119 1.00 45.31 C ATOM 809 O ALA A 222 -7.654 -3.648 8.116 1.00 5.14 O ATOM 810 CB ALA A 222 -8.525 -2.158 5.812 1.00 54.51 C ATOM 0 H ALA A 222 -10.708 -2.784 6.699 1.00 15.10 H new ATOM 0 HA ALA A 222 -8.775 -4.170 5.138 1.00 33.50 H new ATOM 0 HB1 ALA A 222 -7.481 -2.106 5.501 1.00 54.51 H new ATOM 0 HB2 ALA A 222 -9.158 -1.747 5.026 1.00 54.51 H new ATOM 0 HB3 ALA A 222 -8.660 -1.580 6.726 1.00 54.51 H new ATOM 816 N GLY A 223 -7.643 -5.536 6.889 1.00 72.54 N ATOM 817 CA GLY A 223 -6.672 -6.263 7.694 1.00 54.34 C ATOM 818 C GLY A 223 -6.896 -7.774 7.694 1.00 13.20 C ATOM 819 O GLY A 223 -5.950 -8.511 7.962 1.00 13.51 O ATOM 0 H GLY A 223 -8.022 -6.089 6.120 1.00 72.54 H new ATOM 0 HA2 GLY A 223 -5.670 -6.051 7.321 1.00 54.34 H new ATOM 0 HA3 GLY A 223 -6.714 -5.897 8.720 1.00 54.34 H new ATOM 823 N SER A 224 -8.104 -8.261 7.391 1.00 12.10 N ATOM 824 CA SER A 224 -8.365 -9.703 7.397 1.00 32.34 C ATOM 825 C SER A 224 -7.585 -10.433 6.291 1.00 62.33 C ATOM 826 O SER A 224 -7.162 -9.798 5.326 1.00 52.54 O ATOM 827 CB SER A 224 -9.864 -9.944 7.225 1.00 2.20 C ATOM 828 OG SER A 224 -10.612 -9.203 8.168 1.00 61.34 O ATOM 0 H SER A 224 -8.908 -7.685 7.141 1.00 12.10 H new ATOM 0 HA SER A 224 -8.027 -10.105 8.352 1.00 32.34 H new ATOM 0 HB2 SER A 224 -10.167 -9.664 6.216 1.00 2.20 H new ATOM 0 HB3 SER A 224 -10.080 -11.006 7.339 1.00 2.20 H new ATOM 0 HG SER A 224 -11.568 -9.374 8.035 1.00 61.34 H new ATOM 834 N ASP A 225 -7.509 -11.772 6.386 1.00 61.25 N ATOM 835 CA ASP A 225 -7.065 -12.678 5.314 1.00 53.22 C ATOM 836 C ASP A 225 -7.729 -12.256 4.017 1.00 11.51 C ATOM 837 O ASP A 225 -7.048 -11.850 3.083 1.00 20.21 O ATOM 838 CB ASP A 225 -7.449 -14.135 5.638 1.00 65.42 C ATOM 839 CG ASP A 225 -7.412 -15.086 4.429 1.00 1.12 C ATOM 840 OD1 ASP A 225 -6.342 -15.627 4.080 1.00 40.32 O ATOM 841 OD2 ASP A 225 -8.487 -15.355 3.846 1.00 54.24 O1- ATOM 0 H ASP A 225 -7.764 -12.269 7.240 1.00 61.25 H new ATOM 0 HA ASP A 225 -5.980 -12.621 5.222 1.00 53.22 H new ATOM 0 HB2 ASP A 225 -6.773 -14.514 6.404 1.00 65.42 H new ATOM 0 HB3 ASP A 225 -8.452 -14.147 6.064 1.00 65.42 H new ATOM 846 N LEU A 226 -9.063 -12.266 4.019 1.00 65.13 N ATOM 847 CA LEU A 226 -9.888 -12.020 2.848 1.00 13.44 C ATOM 848 C LEU A 226 -9.534 -10.681 2.192 1.00 72.23 C ATOM 849 O LEU A 226 -9.453 -10.608 0.969 1.00 44.25 O ATOM 850 CB LEU A 226 -11.380 -12.068 3.231 1.00 21.33 C ATOM 851 CG LEU A 226 -11.850 -13.394 3.869 1.00 42.04 C ATOM 852 CD1 LEU A 226 -13.285 -13.255 4.390 1.00 2.14 C ATOM 853 CD2 LEU A 226 -11.783 -14.570 2.888 1.00 31.03 C ATOM 0 H LEU A 226 -9.609 -12.451 4.861 1.00 65.13 H new ATOM 0 HA LEU A 226 -9.690 -12.805 2.118 1.00 13.44 H new ATOM 0 HB2 LEU A 226 -11.587 -11.255 3.926 1.00 21.33 H new ATOM 0 HB3 LEU A 226 -11.975 -11.882 2.337 1.00 21.33 H new ATOM 0 HG LEU A 226 -11.170 -13.604 4.694 1.00 42.04 H new ATOM 0 HD11 LEU A 226 -13.603 -14.197 4.837 1.00 2.14 H new ATOM 0 HD12 LEU A 226 -13.325 -12.466 5.141 1.00 2.14 H new ATOM 0 HD13 LEU A 226 -13.949 -13.003 3.563 1.00 2.14 H new ATOM 0 HD21 LEU A 226 -12.124 -15.478 3.385 1.00 31.03 H new ATOM 0 HD22 LEU A 226 -12.422 -14.365 2.029 1.00 31.03 H new ATOM 0 HD23 LEU A 226 -10.755 -14.705 2.551 1.00 31.03 H new ATOM 865 N ALA A 227 -9.291 -9.639 2.998 1.00 33.13 N ATOM 866 CA ALA A 227 -8.898 -8.326 2.516 1.00 31.51 C ATOM 867 C ALA A 227 -7.508 -8.386 1.881 1.00 61.32 C ATOM 868 O ALA A 227 -7.379 -8.089 0.700 1.00 1.22 O ATOM 869 CB ALA A 227 -8.952 -7.295 3.653 1.00 20.11 C ATOM 0 H ALA A 227 -9.365 -9.694 4.014 1.00 33.13 H new ATOM 0 HA ALA A 227 -9.603 -8.008 1.748 1.00 31.51 H new ATOM 0 HB1 ALA A 227 -8.654 -6.318 3.273 1.00 20.11 H new ATOM 0 HB2 ALA A 227 -9.968 -7.238 4.044 1.00 20.11 H new ATOM 0 HB3 ALA A 227 -8.272 -7.596 4.450 1.00 20.11 H new ATOM 875 N GLN A 228 -6.471 -8.765 2.637 1.00 2.11 N ATOM 876 CA GLN A 228 -5.080 -8.746 2.169 1.00 62.54 C ATOM 877 C GLN A 228 -4.893 -9.605 0.911 1.00 60.13 C ATOM 878 O GLN A 228 -4.199 -9.233 -0.032 1.00 43.54 O ATOM 879 CB GLN A 228 -4.147 -9.243 3.286 1.00 74.33 C ATOM 880 CG GLN A 228 -4.091 -8.310 4.507 1.00 13.33 C ATOM 881 CD GLN A 228 -3.048 -8.791 5.516 1.00 64.54 C ATOM 882 OE1 GLN A 228 -1.873 -8.897 5.195 1.00 5.12 O ATOM 883 NE2 GLN A 228 -3.426 -9.081 6.751 1.00 5.01 N ATOM 0 H GLN A 228 -6.574 -9.096 3.596 1.00 2.11 H new ATOM 0 HA GLN A 228 -4.828 -7.718 1.910 1.00 62.54 H new ATOM 0 HB2 GLN A 228 -4.476 -10.230 3.609 1.00 74.33 H new ATOM 0 HB3 GLN A 228 -3.141 -9.359 2.882 1.00 74.33 H new ATOM 0 HG2 GLN A 228 -3.850 -7.297 4.184 1.00 13.33 H new ATOM 0 HG3 GLN A 228 -5.071 -8.269 4.983 1.00 13.33 H new ATOM 0 HE21 GLN A 228 -4.406 -8.992 7.018 1.00 5.01 H new ATOM 0 HE22 GLN A 228 -2.737 -9.393 7.435 1.00 5.01 H new ATOM 892 N LYS A 229 -5.533 -10.766 0.889 1.00 14.24 N ATOM 893 CA LYS A 229 -5.515 -11.745 -0.181 1.00 61.11 C ATOM 894 C LYS A 229 -6.192 -11.177 -1.421 1.00 50.14 C ATOM 895 O LYS A 229 -5.647 -11.298 -2.514 1.00 20.33 O ATOM 896 CB LYS A 229 -6.230 -12.932 0.451 1.00 43.15 C ATOM 897 CG LYS A 229 -6.357 -14.292 -0.231 1.00 65.30 C ATOM 898 CD LYS A 229 -6.732 -15.201 0.955 1.00 2.11 C ATOM 899 CE LYS A 229 -7.266 -16.602 0.709 1.00 22.04 C ATOM 900 NZ LYS A 229 -7.601 -17.171 2.035 1.00 4.21 N1+ ATOM 0 H LYS A 229 -6.116 -11.065 1.671 1.00 14.24 H new ATOM 0 HA LYS A 229 -4.527 -12.031 -0.542 1.00 61.11 H new ATOM 0 HB2 LYS A 229 -5.741 -13.112 1.409 1.00 43.15 H new ATOM 0 HB3 LYS A 229 -7.245 -12.600 0.668 1.00 43.15 H new ATOM 0 HG2 LYS A 229 -7.124 -14.292 -1.005 1.00 65.30 H new ATOM 0 HG3 LYS A 229 -5.425 -14.601 -0.705 1.00 65.30 H new ATOM 0 HD2 LYS A 229 -5.844 -15.299 1.579 1.00 2.11 H new ATOM 0 HD3 LYS A 229 -7.479 -14.670 1.545 1.00 2.11 H new ATOM 0 HE2 LYS A 229 -8.146 -16.573 0.067 1.00 22.04 H new ATOM 0 HE3 LYS A 229 -6.522 -17.216 0.202 1.00 22.04 H new ATOM 0 HZ1 LYS A 229 -8.126 -18.060 1.909 1.00 4.21 H new ATOM 0 HZ2 LYS A 229 -6.725 -17.358 2.564 1.00 4.21 H new ATOM 0 HZ3 LYS A 229 -8.187 -16.495 2.565 1.00 4.21 H new ATOM 914 N TRP A 230 -7.336 -10.508 -1.270 1.00 13.20 N ATOM 915 CA TRP A 230 -7.966 -9.800 -2.373 1.00 72.33 C ATOM 916 C TRP A 230 -7.127 -8.581 -2.803 1.00 31.00 C ATOM 917 O TRP A 230 -7.104 -8.260 -3.992 1.00 23.12 O ATOM 918 CB TRP A 230 -9.403 -9.444 -1.973 1.00 34.15 C ATOM 919 CG TRP A 230 -10.216 -8.763 -3.026 1.00 61.20 C ATOM 920 CD1 TRP A 230 -11.006 -9.353 -3.952 1.00 14.12 C ATOM 921 CD2 TRP A 230 -10.297 -7.338 -3.286 1.00 53.24 C ATOM 922 NE1 TRP A 230 -11.567 -8.383 -4.763 1.00 24.03 N ATOM 923 CE2 TRP A 230 -11.157 -7.118 -4.399 1.00 13.24 C ATOM 924 CE3 TRP A 230 -9.701 -6.212 -2.690 1.00 35.03 C ATOM 925 CZ2 TRP A 230 -11.414 -5.832 -4.894 1.00 2.33 C ATOM 926 CZ3 TRP A 230 -9.927 -4.921 -3.196 1.00 33.44 C ATOM 927 CH2 TRP A 230 -10.793 -4.730 -4.284 1.00 4.35 C ATOM 0 H TRP A 230 -7.843 -10.445 -0.387 1.00 13.20 H new ATOM 0 HA TRP A 230 -8.014 -10.439 -3.255 1.00 72.33 H new ATOM 0 HB2 TRP A 230 -9.916 -10.359 -1.678 1.00 34.15 H new ATOM 0 HB3 TRP A 230 -9.368 -8.801 -1.094 1.00 34.15 H new ATOM 0 HD1 TRP A 230 -11.173 -10.416 -4.044 1.00 14.12 H new ATOM 0 HE1 TRP A 230 -12.205 -8.579 -5.534 1.00 24.03 H new ATOM 0 HE3 TRP A 230 -9.060 -6.342 -1.831 1.00 35.03 H new ATOM 0 HZ2 TRP A 230 -12.080 -5.691 -5.732 1.00 2.33 H new ATOM 0 HZ3 TRP A 230 -9.433 -4.073 -2.746 1.00 33.44 H new ATOM 0 HH2 TRP A 230 -10.982 -3.733 -4.653 1.00 4.35 H new ATOM 938 N HIS A 231 -6.394 -7.920 -1.893 1.00 41.52 N ATOM 939 CA HIS A 231 -5.480 -6.835 -2.256 1.00 44.11 C ATOM 940 C HIS A 231 -4.348 -7.342 -3.148 1.00 62.42 C ATOM 941 O HIS A 231 -3.858 -6.560 -3.948 1.00 2.10 O ATOM 942 CB HIS A 231 -4.841 -6.124 -1.047 1.00 73.30 C ATOM 943 CG HIS A 231 -5.758 -5.484 -0.035 1.00 1.23 C ATOM 944 ND1 HIS A 231 -5.405 -5.172 1.259 1.00 54.43 N ATOM 945 CD2 HIS A 231 -7.021 -5.005 -0.245 1.00 54.44 C ATOM 946 CE1 HIS A 231 -6.447 -4.543 1.825 1.00 44.02 C ATOM 947 NE2 HIS A 231 -7.463 -4.433 0.954 1.00 72.12 N ATOM 0 H HIS A 231 -6.420 -8.123 -0.894 1.00 41.52 H new ATOM 0 HA HIS A 231 -6.106 -6.115 -2.784 1.00 44.11 H new ATOM 0 HB2 HIS A 231 -4.220 -6.850 -0.522 1.00 73.30 H new ATOM 0 HB3 HIS A 231 -4.174 -5.351 -1.429 1.00 73.30 H new ATOM 0 HD2 HIS A 231 -7.577 -5.058 -1.169 1.00 54.44 H new ATOM 0 HE1 HIS A 231 -6.466 -4.176 2.841 1.00 44.02 H new ATOM 0 HE2 HIS A 231 -8.377 -4.015 1.131 1.00 72.12 H new ATOM 955 N LEU A 232 -3.932 -8.613 -3.070 1.00 43.21 N ATOM 956 CA LEU A 232 -2.881 -9.145 -3.948 1.00 54.14 C ATOM 957 C LEU A 232 -3.284 -9.051 -5.425 1.00 63.01 C ATOM 958 O LEU A 232 -2.427 -8.892 -6.291 1.00 33.14 O ATOM 959 CB LEU A 232 -2.535 -10.587 -3.535 1.00 63.34 C ATOM 960 CG LEU A 232 -1.326 -11.179 -4.297 1.00 62.14 C ATOM 961 CD1 LEU A 232 -0.487 -12.054 -3.355 1.00 23.25 C ATOM 962 CD2 LEU A 232 -1.749 -12.050 -5.491 1.00 64.32 C ATOM 0 H LEU A 232 -4.307 -9.292 -2.408 1.00 43.21 H new ATOM 0 HA LEU A 232 -1.985 -8.535 -3.833 1.00 54.14 H new ATOM 0 HB2 LEU A 232 -2.325 -10.609 -2.466 1.00 63.34 H new ATOM 0 HB3 LEU A 232 -3.405 -11.222 -3.702 1.00 63.34 H new ATOM 0 HG LEU A 232 -0.751 -10.330 -4.668 1.00 62.14 H new ATOM 0 HD11 LEU A 232 0.362 -12.466 -3.901 1.00 23.25 H new ATOM 0 HD12 LEU A 232 -0.125 -11.450 -2.523 1.00 23.25 H new ATOM 0 HD13 LEU A 232 -1.102 -12.868 -2.971 1.00 23.25 H new ATOM 0 HD21 LEU A 232 -0.862 -12.440 -5.990 1.00 64.32 H new ATOM 0 HD22 LEU A 232 -2.360 -12.880 -5.137 1.00 64.32 H new ATOM 0 HD23 LEU A 232 -2.325 -11.449 -6.194 1.00 64.32 H new ATOM 974 N ILE A 233 -4.588 -9.098 -5.709 1.00 20.31 N ATOM 975 CA ILE A 233 -5.159 -8.974 -7.047 1.00 12.23 C ATOM 976 C ILE A 233 -5.073 -7.504 -7.536 1.00 33.40 C ATOM 977 O ILE A 233 -5.483 -7.202 -8.662 1.00 73.01 O ATOM 978 CB ILE A 233 -6.609 -9.554 -7.075 1.00 31.24 C ATOM 979 CG1 ILE A 233 -6.782 -10.831 -6.204 1.00 41.21 C ATOM 980 CG2 ILE A 233 -7.041 -9.898 -8.519 1.00 11.11 C ATOM 981 CD1 ILE A 233 -8.229 -11.323 -6.066 1.00 1.50 C ATOM 0 H ILE A 233 -5.297 -9.228 -4.987 1.00 20.31 H new ATOM 0 HA ILE A 233 -4.577 -9.568 -7.752 1.00 12.23 H new ATOM 0 HB ILE A 233 -7.238 -8.767 -6.658 1.00 31.24 H new ATOM 0 HG12 ILE A 233 -6.180 -11.632 -6.634 1.00 41.21 H new ATOM 0 HG13 ILE A 233 -6.384 -10.632 -5.209 1.00 41.21 H new ATOM 0 HG21 ILE A 233 -8.054 -10.300 -8.510 1.00 11.11 H new ATOM 0 HG22 ILE A 233 -7.014 -8.997 -9.131 1.00 11.11 H new ATOM 0 HG23 ILE A 233 -6.360 -10.640 -8.935 1.00 11.11 H new ATOM 0 HD11 ILE A 233 -8.252 -12.217 -5.442 1.00 1.50 H new ATOM 0 HD12 ILE A 233 -8.836 -10.544 -5.605 1.00 1.50 H new ATOM 0 HD13 ILE A 233 -8.629 -11.559 -7.052 1.00 1.50 H new ATOM 993 N LYS A 234 -4.559 -6.555 -6.736 1.00 35.12 N ATOM 994 CA LYS A 234 -4.327 -5.189 -7.199 1.00 65.43 C ATOM 995 C LYS A 234 -3.416 -5.230 -8.420 1.00 71.04 C ATOM 996 O LYS A 234 -2.413 -5.947 -8.420 1.00 11.24 O ATOM 997 CB LYS A 234 -3.781 -4.271 -6.100 1.00 41.01 C ATOM 998 CG LYS A 234 -2.314 -4.524 -5.707 1.00 40.11 C ATOM 999 CD LYS A 234 -1.863 -3.547 -4.625 1.00 52.01 C ATOM 1000 CE LYS A 234 -1.500 -2.236 -5.326 1.00 24.13 C ATOM 1001 NZ LYS A 234 -0.751 -1.276 -4.499 1.00 64.53 N1+ ATOM 0 H LYS A 234 -4.298 -6.716 -5.763 1.00 35.12 H new ATOM 0 HA LYS A 234 -5.285 -4.752 -7.480 1.00 65.43 H new ATOM 0 HB2 LYS A 234 -3.879 -3.237 -6.430 1.00 41.01 H new ATOM 0 HB3 LYS A 234 -4.403 -4.383 -5.212 1.00 41.01 H new ATOM 0 HG2 LYS A 234 -2.201 -5.547 -5.349 1.00 40.11 H new ATOM 0 HG3 LYS A 234 -1.675 -4.421 -6.584 1.00 40.11 H new ATOM 0 HD2 LYS A 234 -2.657 -3.387 -3.895 1.00 52.01 H new ATOM 0 HD3 LYS A 234 -1.006 -3.943 -4.081 1.00 52.01 H new ATOM 0 HE2 LYS A 234 -0.910 -2.467 -6.213 1.00 24.13 H new ATOM 0 HE3 LYS A 234 -2.418 -1.759 -5.669 1.00 24.13 H new ATOM 0 HZ1 LYS A 234 -1.143 -0.322 -4.633 1.00 64.53 H new ATOM 0 HZ2 LYS A 234 -0.830 -1.545 -3.497 1.00 64.53 H new ATOM 0 HZ3 LYS A 234 0.250 -1.282 -4.781 1.00 64.53 H new ATOM 1015 N GLN A 235 -3.754 -4.441 -9.433 1.00 72.02 N ATOM 1016 CA GLN A 235 -3.096 -4.337 -10.733 1.00 11.35 C ATOM 1017 C GLN A 235 -2.779 -5.677 -11.428 1.00 33.24 C ATOM 1018 O GLN A 235 -1.992 -5.693 -12.371 1.00 30.21 O ATOM 1019 CB GLN A 235 -1.910 -3.349 -10.687 1.00 22.32 C ATOM 1020 CG GLN A 235 -0.756 -3.766 -9.765 1.00 50.13 C ATOM 1021 CD GLN A 235 0.485 -2.907 -9.976 1.00 24.00 C ATOM 1022 OE1 GLN A 235 0.775 -2.013 -9.184 1.00 23.03 O ATOM 1023 NE2 GLN A 235 1.245 -3.133 -11.033 1.00 43.20 N ATOM 0 H GLN A 235 -4.553 -3.811 -9.364 1.00 72.02 H new ATOM 0 HA GLN A 235 -3.842 -3.909 -11.402 1.00 11.35 H new ATOM 0 HB2 GLN A 235 -1.521 -3.224 -11.698 1.00 22.32 H new ATOM 0 HB3 GLN A 235 -2.279 -2.375 -10.365 1.00 22.32 H new ATOM 0 HG2 GLN A 235 -1.077 -3.690 -8.726 1.00 50.13 H new ATOM 0 HG3 GLN A 235 -0.508 -4.812 -9.946 1.00 50.13 H new ATOM 0 HE21 GLN A 235 1.000 -3.876 -11.688 1.00 43.20 H new ATOM 0 HE22 GLN A 235 2.076 -2.564 -11.194 1.00 43.20 H new ATOM 1032 N HIS A 236 -3.381 -6.793 -11.005 1.00 22.23 N ATOM 1033 CA HIS A 236 -3.041 -8.141 -11.449 1.00 73.33 C ATOM 1034 C HIS A 236 -4.272 -8.728 -12.145 1.00 63.54 C ATOM 1035 O HIS A 236 -4.849 -9.735 -11.727 1.00 34.42 O ATOM 1036 CB HIS A 236 -2.526 -8.927 -10.233 1.00 2.44 C ATOM 1037 CG HIS A 236 -1.953 -10.289 -10.539 1.00 4.45 C ATOM 1038 ND1 HIS A 236 -2.640 -11.341 -11.097 1.00 31.54 N ATOM 1039 CD2 HIS A 236 -0.682 -10.723 -10.271 1.00 72.22 C ATOM 1040 CE1 HIS A 236 -1.800 -12.387 -11.175 1.00 31.30 C ATOM 1041 NE2 HIS A 236 -0.598 -12.060 -10.673 1.00 63.23 N ATOM 0 H HIS A 236 -4.140 -6.779 -10.324 1.00 22.23 H new ATOM 0 HA HIS A 236 -2.236 -8.174 -12.184 1.00 73.33 H new ATOM 0 HB2 HIS A 236 -1.760 -8.333 -9.735 1.00 2.44 H new ATOM 0 HB3 HIS A 236 -3.346 -9.047 -9.525 1.00 2.44 H new ATOM 0 HD1 HIS A 236 -3.614 -11.330 -11.398 1.00 31.54 H new ATOM 0 HD2 HIS A 236 0.112 -10.139 -9.829 1.00 72.22 H new ATOM 0 HE1 HIS A 236 -2.055 -13.354 -11.583 1.00 31.30 H new ATOM 1049 N THR A 237 -4.711 -8.049 -13.200 1.00 74.12 N ATOM 1050 CA THR A 237 -5.960 -8.304 -13.908 1.00 64.12 C ATOM 1051 C THR A 237 -5.724 -8.219 -15.424 1.00 22.14 C ATOM 1052 O THR A 237 -4.665 -7.774 -15.873 1.00 63.42 O ATOM 1053 CB THR A 237 -7.018 -7.291 -13.419 1.00 1.11 C ATOM 1054 OG1 THR A 237 -6.495 -5.978 -13.445 1.00 61.40 O ATOM 1055 CG2 THR A 237 -7.485 -7.594 -11.989 1.00 50.03 C ATOM 0 H THR A 237 -4.184 -7.274 -13.601 1.00 74.12 H new ATOM 0 HA THR A 237 -6.328 -9.308 -13.699 1.00 64.12 H new ATOM 0 HB THR A 237 -7.869 -7.376 -14.095 1.00 1.11 H new ATOM 0 HG1 THR A 237 -7.178 -5.348 -13.134 1.00 61.40 H new ATOM 0 HG21 THR A 237 -8.229 -6.857 -11.685 1.00 50.03 H new ATOM 0 HG22 THR A 237 -7.926 -8.590 -11.954 1.00 50.03 H new ATOM 0 HG23 THR A 237 -6.633 -7.550 -11.311 1.00 50.03 H new ATOM 1063 N ALA A 238 -6.698 -8.658 -16.227 1.00 64.25 N ATOM 1064 CA ALA A 238 -6.717 -8.464 -17.670 1.00 34.41 C ATOM 1065 C ALA A 238 -8.184 -8.438 -18.128 1.00 70.53 C ATOM 1066 O ALA A 238 -8.693 -9.476 -18.558 1.00 41.40 O ATOM 1067 CB ALA A 238 -5.902 -9.568 -18.366 1.00 14.52 C ATOM 0 H ALA A 238 -7.510 -9.168 -15.879 1.00 64.25 H new ATOM 0 HA ALA A 238 -6.250 -7.518 -17.943 1.00 34.41 H new ATOM 0 HB1 ALA A 238 -5.924 -9.412 -19.444 1.00 14.52 H new ATOM 0 HB2 ALA A 238 -4.870 -9.534 -18.016 1.00 14.52 H new ATOM 0 HB3 ALA A 238 -6.333 -10.541 -18.132 1.00 14.52 H new ATOM 1073 N PRO A 239 -8.897 -7.306 -17.986 1.00 61.40 N ATOM 1074 CA PRO A 239 -10.242 -7.145 -18.535 1.00 14.44 C ATOM 1075 C PRO A 239 -10.223 -7.112 -20.074 1.00 74.14 C ATOM 1076 O PRO A 239 -9.169 -7.253 -20.703 1.00 42.52 O ATOM 1077 CB PRO A 239 -10.764 -5.837 -17.925 1.00 51.21 C ATOM 1078 CG PRO A 239 -9.496 -5.020 -17.704 1.00 20.31 C ATOM 1079 CD PRO A 239 -8.469 -6.083 -17.318 1.00 1.53 C ATOM 0 HA PRO A 239 -10.893 -7.983 -18.286 1.00 14.44 H new ATOM 0 HB2 PRO A 239 -11.457 -5.329 -18.596 1.00 51.21 H new ATOM 0 HB3 PRO A 239 -11.296 -6.014 -16.990 1.00 51.21 H new ATOM 0 HG2 PRO A 239 -9.201 -4.481 -18.604 1.00 20.31 H new ATOM 0 HG3 PRO A 239 -9.625 -4.278 -16.916 1.00 20.31 H new ATOM 0 HD2 PRO A 239 -7.467 -5.793 -17.636 1.00 1.53 H new ATOM 0 HD3 PRO A 239 -8.434 -6.219 -16.237 1.00 1.53 H new ATOM 1087 N VAL A 240 -11.390 -6.921 -20.687 1.00 55.30 N ATOM 1088 CA VAL A 240 -11.529 -6.655 -22.114 1.00 73.31 C ATOM 1089 C VAL A 240 -12.397 -5.411 -22.308 1.00 73.24 C ATOM 1090 O VAL A 240 -13.217 -5.075 -21.450 1.00 4.41 O ATOM 1091 CB VAL A 240 -12.081 -7.892 -22.856 1.00 1.54 C ATOM 1092 CG1 VAL A 240 -11.096 -9.068 -22.785 1.00 2.11 C ATOM 1093 CG2 VAL A 240 -13.443 -8.368 -22.325 1.00 62.34 C ATOM 0 H VAL A 240 -12.282 -6.948 -20.194 1.00 55.30 H new ATOM 0 HA VAL A 240 -10.551 -6.455 -22.552 1.00 73.31 H new ATOM 0 HB VAL A 240 -12.215 -7.567 -23.888 1.00 1.54 H new ATOM 0 HG11 VAL A 240 -11.512 -9.924 -23.316 1.00 2.11 H new ATOM 0 HG12 VAL A 240 -10.151 -8.780 -23.246 1.00 2.11 H new ATOM 0 HG13 VAL A 240 -10.924 -9.336 -21.743 1.00 2.11 H new ATOM 0 HG21 VAL A 240 -13.770 -9.240 -22.892 1.00 62.34 H new ATOM 0 HG22 VAL A 240 -13.350 -8.634 -21.272 1.00 62.34 H new ATOM 0 HG23 VAL A 240 -14.176 -7.568 -22.434 1.00 62.34 H new ATOM 1103 N SER A 241 -12.225 -4.739 -23.445 1.00 23.54 N ATOM 1104 CA SER A 241 -12.910 -3.504 -23.800 1.00 33.20 C ATOM 1105 C SER A 241 -14.432 -3.732 -23.878 1.00 22.33 C ATOM 1106 O SER A 241 -14.847 -4.818 -24.306 1.00 4.10 O ATOM 1107 CB SER A 241 -12.327 -3.090 -25.156 1.00 73.01 C ATOM 1108 OG SER A 241 -12.689 -1.792 -25.560 1.00 42.03 O ATOM 0 H SER A 241 -11.580 -5.054 -24.169 1.00 23.54 H new ATOM 0 HA SER A 241 -12.762 -2.722 -23.055 1.00 33.20 H new ATOM 0 HB2 SER A 241 -11.240 -3.155 -25.108 1.00 73.01 H new ATOM 0 HB3 SER A 241 -12.656 -3.801 -25.914 1.00 73.01 H new ATOM 0 HG SER A 241 -12.282 -1.595 -26.429 1.00 42.03 H new ATOM 1114 N PRO A 242 -15.275 -2.732 -23.543 1.00 54.33 N ATOM 1115 CA PRO A 242 -16.727 -2.876 -23.599 1.00 33.53 C ATOM 1116 C PRO A 242 -17.188 -3.140 -25.032 1.00 62.22 C ATOM 1117 O PRO A 242 -16.544 -2.710 -26.000 1.00 3.45 O ATOM 1118 CB PRO A 242 -17.310 -1.585 -23.018 1.00 40.15 C ATOM 1119 CG PRO A 242 -16.193 -0.562 -23.217 1.00 23.42 C ATOM 1120 CD PRO A 242 -14.927 -1.403 -23.062 1.00 33.01 C ATOM 0 HA PRO A 242 -17.074 -3.732 -23.020 1.00 33.53 H new ATOM 0 HB2 PRO A 242 -18.222 -1.288 -23.537 1.00 40.15 H new ATOM 0 HB3 PRO A 242 -17.565 -1.699 -21.965 1.00 40.15 H new ATOM 0 HG2 PRO A 242 -16.247 -0.091 -24.198 1.00 23.42 H new ATOM 0 HG3 PRO A 242 -16.240 0.237 -22.477 1.00 23.42 H new ATOM 0 HD2 PRO A 242 -14.104 -0.981 -23.639 1.00 33.01 H new ATOM 0 HD3 PRO A 242 -14.604 -1.436 -22.022 1.00 33.01 H new ATOM 1128 N HIS A 243 -18.271 -3.906 -25.160 1.00 45.13 N ATOM 1129 CA HIS A 243 -18.692 -4.529 -26.410 1.00 20.32 C ATOM 1130 C HIS A 243 -20.212 -4.607 -26.561 1.00 25.15 C ATOM 1131 O HIS A 243 -20.685 -5.242 -27.505 1.00 54.22 O ATOM 1132 CB HIS A 243 -18.098 -5.945 -26.477 1.00 51.05 C ATOM 1133 CG HIS A 243 -18.545 -6.845 -25.356 1.00 23.30 C ATOM 1134 ND1 HIS A 243 -19.801 -7.389 -25.196 1.00 43.14 N ATOM 1135 CD2 HIS A 243 -17.756 -7.279 -24.327 1.00 22.02 C ATOM 1136 CE1 HIS A 243 -19.769 -8.156 -24.092 1.00 63.04 C ATOM 1137 NE2 HIS A 243 -18.536 -8.137 -23.545 1.00 1.40 N ATOM 0 H HIS A 243 -18.893 -4.114 -24.379 1.00 45.13 H new ATOM 0 HA HIS A 243 -18.328 -3.906 -27.227 1.00 20.32 H new ATOM 0 HB2 HIS A 243 -18.374 -6.400 -27.428 1.00 51.05 H new ATOM 0 HB3 HIS A 243 -17.010 -5.874 -26.462 1.00 51.05 H new ATOM 0 HD2 HIS A 243 -16.725 -7.010 -24.151 1.00 22.02 H new ATOM 0 HE1 HIS A 243 -20.610 -8.708 -23.699 1.00 63.04 H new ATOM 0 HE2 HIS A 243 -18.231 -8.651 -22.718 1.00 1.40 H new ATOM 1145 N SER A 244 -20.980 -4.058 -25.625 1.00 53.22 N ATOM 1146 CA SER A 244 -22.419 -3.948 -25.698 1.00 22.22 C ATOM 1147 C SER A 244 -22.725 -2.683 -24.928 1.00 53.24 C ATOM 1148 O SER A 244 -22.057 -2.446 -23.902 1.00 34.02 O ATOM 1149 CB SER A 244 -23.090 -5.190 -25.094 1.00 24.31 C ATOM 1150 OG SER A 244 -24.385 -5.375 -25.636 1.00 51.22 O ATOM 0 H SER A 244 -20.595 -3.665 -24.766 1.00 53.22 H new ATOM 0 HA SER A 244 -22.800 -3.896 -26.718 1.00 22.22 H new ATOM 0 HB2 SER A 244 -22.479 -6.071 -25.291 1.00 24.31 H new ATOM 0 HB3 SER A 244 -23.156 -5.083 -24.011 1.00 24.31 H new ATOM 0 HG SER A 244 -24.795 -6.172 -25.240 1.00 51.22 H new TER 1156 SER A 244