USER MOD reduce.3.24.130724 H: found=0, std=0, add=795, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 797 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 24 GLN : amide:sc= -0.0633 X(o=-0.068,f=-0.31!) USER MOD Set 1.2: A 50 MET CE :methyl 164:sc=-0.00499 (180deg=-0.0141) USER MOD Set 2.1: A 16 THR OG1 : rot -139:sc= 0 USER MOD Set 2.2: A 96 HIS : no HD1:sc= -0.0436 X(o=-0.044,f=-0.093) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.31 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 TYR OH : rot 131:sc= 0.149 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 TYR OH : rot -147:sc= 0.217 USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 CYS SG : rot 170:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 90 SER OG : rot 28:sc= 0.148 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0455) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 99:sc= 0.453 USER MOD Single : A 102 MET CE :methyl 179:sc= -0.0155 (180deg=-0.0163) USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc= 0.619 K(o=0.62,f=0) USER MOD Single : A 111 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 157 N GLY A 12 9.754 -10.060 7.672 1.00 24.01 N ATOM 158 CA GLY A 12 10.024 -8.937 6.775 1.00 32.40 C ATOM 159 C GLY A 12 8.801 -8.052 6.550 1.00 14.03 C ATOM 160 O GLY A 12 7.920 -8.405 5.761 1.00 73.10 O ATOM 0 HA2 GLY A 12 10.832 -8.334 7.189 1.00 32.40 H new ATOM 0 HA3 GLY A 12 10.371 -9.320 5.815 1.00 32.40 H new ATOM 164 N ALA A 13 8.746 -6.906 7.258 1.00 24.24 N ATOM 165 CA ALA A 13 7.620 -5.959 7.154 1.00 42.53 C ATOM 166 C ALA A 13 8.110 -4.502 7.089 1.00 25.04 C ATOM 167 O ALA A 13 9.230 -4.199 7.515 1.00 70.14 O ATOM 168 CB ALA A 13 6.666 -6.153 8.331 1.00 32.13 C ATOM 0 H ALA A 13 9.473 -6.614 7.911 1.00 24.24 H new ATOM 0 HA ALA A 13 7.088 -6.166 6.225 1.00 42.53 H new ATOM 0 HB1 ALA A 13 5.837 -5.450 8.247 1.00 32.13 H new ATOM 0 HB2 ALA A 13 6.280 -7.172 8.322 1.00 32.13 H new ATOM 0 HB3 ALA A 13 7.199 -5.975 9.265 1.00 32.13 H new ATOM 174 N VAL A 14 7.257 -3.609 6.548 1.00 52.41 N ATOM 175 CA VAL A 14 7.579 -2.174 6.412 1.00 14.12 C ATOM 176 C VAL A 14 6.913 -1.368 7.548 1.00 5.32 C ATOM 177 O VAL A 14 5.684 -1.392 7.690 1.00 31.01 O ATOM 178 CB VAL A 14 7.125 -1.621 5.016 1.00 4.41 C ATOM 179 CG1 VAL A 14 7.488 -0.144 4.842 1.00 40.35 C ATOM 180 CG2 VAL A 14 7.719 -2.456 3.874 1.00 30.01 C ATOM 0 H VAL A 14 6.333 -3.859 6.196 1.00 52.41 H new ATOM 0 HA VAL A 14 8.661 -2.062 6.484 1.00 14.12 H new ATOM 0 HB VAL A 14 6.039 -1.702 4.978 1.00 4.41 H new ATOM 0 HG11 VAL A 14 7.156 0.199 3.862 1.00 40.35 H new ATOM 0 HG12 VAL A 14 6.999 0.445 5.618 1.00 40.35 H new ATOM 0 HG13 VAL A 14 8.568 -0.023 4.922 1.00 40.35 H new ATOM 0 HG21 VAL A 14 7.389 -2.051 2.917 1.00 30.01 H new ATOM 0 HG22 VAL A 14 8.807 -2.422 3.926 1.00 30.01 H new ATOM 0 HG23 VAL A 14 7.384 -3.489 3.966 1.00 30.01 H new ATOM 190 N THR A 15 7.735 -0.661 8.356 1.00 44.51 N ATOM 191 CA THR A 15 7.231 0.151 9.490 1.00 34.41 C ATOM 192 C THR A 15 8.278 1.184 9.960 1.00 65.00 C ATOM 193 O THR A 15 9.481 0.900 9.965 1.00 42.22 O ATOM 194 CB THR A 15 6.803 -0.759 10.671 1.00 34.51 C ATOM 195 OG1 THR A 15 6.455 0.017 11.811 1.00 42.34 O ATOM 196 CG2 THR A 15 7.860 -1.764 11.116 1.00 23.21 C ATOM 0 H THR A 15 8.749 -0.635 8.245 1.00 44.51 H new ATOM 0 HA THR A 15 6.358 0.699 9.136 1.00 34.41 H new ATOM 0 HB THR A 15 5.951 -1.316 10.281 1.00 34.51 H new ATOM 0 HG1 THR A 15 6.187 -0.578 12.542 1.00 42.34 H new ATOM 0 HG21 THR A 15 7.473 -2.356 11.945 1.00 23.21 H new ATOM 0 HG22 THR A 15 8.108 -2.423 10.284 1.00 23.21 H new ATOM 0 HG23 THR A 15 8.756 -1.232 11.437 1.00 23.21 H new ATOM 204 N THR A 16 7.801 2.383 10.359 1.00 14.12 N ATOM 205 CA THR A 16 8.672 3.475 10.842 1.00 51.15 C ATOM 206 C THR A 16 8.038 4.190 12.059 1.00 2.54 C ATOM 207 O THR A 16 6.837 4.048 12.312 1.00 74.42 O ATOM 208 CB THR A 16 8.961 4.476 9.693 1.00 25.21 C ATOM 209 OG1 THR A 16 9.191 3.796 8.460 1.00 45.22 O ATOM 210 CG2 THR A 16 10.160 5.384 9.945 1.00 5.54 C ATOM 0 H THR A 16 6.809 2.620 10.355 1.00 14.12 H new ATOM 0 HA THR A 16 9.619 3.046 11.169 1.00 51.15 H new ATOM 0 HB THR A 16 8.066 5.096 9.644 1.00 25.21 H new ATOM 0 HG1 THR A 16 9.931 4.226 7.982 1.00 45.22 H new ATOM 0 HG21 THR A 16 10.294 6.053 9.095 1.00 5.54 H new ATOM 0 HG22 THR A 16 9.988 5.972 10.847 1.00 5.54 H new ATOM 0 HG23 THR A 16 11.056 4.776 10.074 1.00 5.54 H new ATOM 218 N SER A 17 8.868 4.939 12.819 1.00 72.13 N ATOM 219 CA SER A 17 8.429 5.666 14.039 1.00 43.20 C ATOM 220 C SER A 17 7.280 6.676 13.808 1.00 43.42 C ATOM 221 O SER A 17 6.489 6.904 14.727 1.00 20.33 O ATOM 222 CB SER A 17 9.622 6.393 14.688 1.00 70.10 C ATOM 223 OG SER A 17 10.613 5.469 15.112 1.00 13.34 O ATOM 0 H SER A 17 9.859 5.059 12.608 1.00 72.13 H new ATOM 0 HA SER A 17 8.033 4.897 14.703 1.00 43.20 H new ATOM 0 HB2 SER A 17 10.056 7.095 13.976 1.00 70.10 H new ATOM 0 HB3 SER A 17 9.276 6.977 15.541 1.00 70.10 H new ATOM 0 HG SER A 17 11.361 5.955 15.519 1.00 13.34 H new ATOM 229 N GLN A 18 7.190 7.290 12.603 1.00 23.22 N ATOM 230 CA GLN A 18 6.125 8.283 12.299 1.00 64.00 C ATOM 231 C GLN A 18 4.715 7.673 12.481 1.00 22.42 C ATOM 232 O GLN A 18 3.969 8.096 13.370 1.00 53.21 O ATOM 233 CB GLN A 18 6.291 8.859 10.868 1.00 13.14 C ATOM 234 CG GLN A 18 7.359 9.952 10.738 1.00 34.21 C ATOM 235 CD GLN A 18 8.790 9.414 10.715 1.00 74.21 C ATOM 236 OE1 GLN A 18 9.419 9.267 11.761 1.00 42.35 O ATOM 237 NE2 GLN A 18 9.315 9.121 9.521 1.00 34.31 N ATOM 0 H GLN A 18 7.834 7.119 11.831 1.00 23.22 H new ATOM 0 HA GLN A 18 6.230 9.102 13.011 1.00 64.00 H new ATOM 0 HB2 GLN A 18 6.541 8.043 10.189 1.00 13.14 H new ATOM 0 HB3 GLN A 18 5.334 9.264 10.541 1.00 13.14 H new ATOM 0 HG2 GLN A 18 7.178 10.517 9.824 1.00 34.21 H new ATOM 0 HG3 GLN A 18 7.256 10.649 11.570 1.00 34.21 H new ATOM 0 HE21 GLN A 18 8.763 9.256 8.674 1.00 34.31 H new ATOM 0 HE22 GLN A 18 10.268 8.762 9.457 1.00 34.31 H new ATOM 246 N ILE A 19 4.374 6.665 11.650 1.00 3.15 N ATOM 247 CA ILE A 19 3.075 5.966 11.719 1.00 53.42 C ATOM 248 C ILE A 19 3.352 4.442 11.764 1.00 34.10 C ATOM 249 O ILE A 19 3.347 3.773 10.723 1.00 5.10 O ATOM 250 CB ILE A 19 2.136 6.351 10.515 1.00 60.21 C ATOM 251 CG1 ILE A 19 1.919 7.890 10.478 1.00 74.04 C ATOM 252 CG2 ILE A 19 0.786 5.612 10.602 1.00 43.22 C ATOM 253 CD1 ILE A 19 1.237 8.418 9.226 1.00 32.44 C ATOM 0 H ILE A 19 4.989 6.315 10.916 1.00 3.15 H new ATOM 0 HA ILE A 19 2.543 6.272 12.620 1.00 53.42 H new ATOM 0 HB ILE A 19 2.622 6.042 9.590 1.00 60.21 H new ATOM 0 HG12 ILE A 19 1.324 8.178 11.345 1.00 74.04 H new ATOM 0 HG13 ILE A 19 2.887 8.380 10.579 1.00 74.04 H new ATOM 0 HG21 ILE A 19 0.159 5.898 9.757 1.00 43.22 H new ATOM 0 HG22 ILE A 19 0.958 4.536 10.578 1.00 43.22 H new ATOM 0 HG23 ILE A 19 0.285 5.879 11.532 1.00 43.22 H new ATOM 0 HD11 ILE A 19 1.132 9.501 9.298 1.00 32.44 H new ATOM 0 HD12 ILE A 19 1.838 8.169 8.352 1.00 32.44 H new ATOM 0 HD13 ILE A 19 0.251 7.964 9.130 1.00 32.44 H new ATOM 265 N PRO A 20 3.643 3.875 12.977 1.00 71.41 N ATOM 266 CA PRO A 20 3.967 2.444 13.137 1.00 41.24 C ATOM 267 C PRO A 20 2.730 1.522 13.229 1.00 44.32 C ATOM 268 O PRO A 20 1.594 1.971 13.049 1.00 53.12 O ATOM 269 CB PRO A 20 4.780 2.441 14.443 1.00 53.30 C ATOM 270 CG PRO A 20 4.195 3.543 15.257 1.00 20.11 C ATOM 271 CD PRO A 20 3.718 4.590 14.283 1.00 63.21 C ATOM 0 HA PRO A 20 4.498 2.043 12.273 1.00 41.24 H new ATOM 0 HB2 PRO A 20 4.699 1.483 14.957 1.00 53.30 H new ATOM 0 HB3 PRO A 20 5.839 2.611 14.250 1.00 53.30 H new ATOM 0 HG2 PRO A 20 3.370 3.177 15.868 1.00 20.11 H new ATOM 0 HG3 PRO A 20 4.937 3.957 15.939 1.00 20.11 H new ATOM 0 HD2 PRO A 20 2.746 4.990 14.574 1.00 63.21 H new ATOM 0 HD3 PRO A 20 4.408 5.432 14.236 1.00 63.21 H new ATOM 279 N ALA A 21 2.977 0.220 13.511 1.00 60.32 N ATOM 280 CA ALA A 21 1.910 -0.796 13.631 1.00 54.35 C ATOM 281 C ALA A 21 0.970 -0.553 14.831 1.00 55.04 C ATOM 282 O ALA A 21 -0.165 -1.039 14.818 1.00 41.23 O ATOM 283 CB ALA A 21 2.521 -2.194 13.719 1.00 64.34 C ATOM 0 H ALA A 21 3.915 -0.151 13.660 1.00 60.32 H new ATOM 0 HA ALA A 21 1.299 -0.712 12.732 1.00 54.35 H new ATOM 0 HB1 ALA A 21 1.725 -2.934 13.807 1.00 64.34 H new ATOM 0 HB2 ALA A 21 3.104 -2.393 12.820 1.00 64.34 H new ATOM 0 HB3 ALA A 21 3.170 -2.253 14.593 1.00 64.34 H new ATOM 289 N SER A 22 1.439 0.196 15.861 1.00 14.41 N ATOM 290 CA SER A 22 0.624 0.496 17.062 1.00 15.33 C ATOM 291 C SER A 22 -0.708 1.185 16.696 1.00 63.45 C ATOM 292 O SER A 22 -1.759 0.817 17.230 1.00 13.12 O ATOM 293 CB SER A 22 1.417 1.374 18.052 1.00 53.21 C ATOM 294 OG SER A 22 0.750 1.473 19.303 1.00 63.23 O ATOM 0 H SER A 22 2.375 0.601 15.882 1.00 14.41 H new ATOM 0 HA SER A 22 0.389 -0.456 17.537 1.00 15.33 H new ATOM 0 HB2 SER A 22 2.411 0.952 18.200 1.00 53.21 H new ATOM 0 HB3 SER A 22 1.553 2.370 17.630 1.00 53.21 H new ATOM 0 HG SER A 22 1.276 2.034 19.911 1.00 63.23 H new ATOM 300 N GLU A 23 -0.656 2.168 15.771 1.00 21.42 N ATOM 301 CA GLU A 23 -1.859 2.896 15.318 1.00 2.12 C ATOM 302 C GLU A 23 -2.536 2.157 14.147 1.00 32.30 C ATOM 303 O GLU A 23 -3.767 2.063 14.105 1.00 35.31 O ATOM 304 CB GLU A 23 -1.498 4.340 14.892 1.00 23.53 C ATOM 305 CG GLU A 23 -1.063 5.258 16.041 1.00 3.03 C ATOM 306 CD GLU A 23 -2.232 5.853 16.811 1.00 40.35 C ATOM 307 OE1 GLU A 23 -2.733 6.923 16.399 1.00 54.42 O ATOM 308 OE2 GLU A 23 -2.648 5.250 17.823 1.00 31.00 O1- ATOM 0 H GLU A 23 0.208 2.475 15.324 1.00 21.42 H new ATOM 0 HA GLU A 23 -2.557 2.941 16.154 1.00 2.12 H new ATOM 0 HB2 GLU A 23 -0.695 4.297 14.156 1.00 23.53 H new ATOM 0 HB3 GLU A 23 -2.361 4.785 14.397 1.00 23.53 H new ATOM 0 HG2 GLU A 23 -0.433 4.694 16.729 1.00 3.03 H new ATOM 0 HG3 GLU A 23 -0.452 6.067 15.640 1.00 3.03 H new ATOM 315 N GLN A 24 -1.722 1.632 13.202 1.00 73.53 N ATOM 316 CA GLN A 24 -2.230 0.901 12.027 1.00 14.24 C ATOM 317 C GLN A 24 -2.262 -0.619 12.297 1.00 22.33 C ATOM 318 O GLN A 24 -1.391 -1.365 11.831 1.00 74.42 O ATOM 319 CB GLN A 24 -1.363 1.222 10.783 1.00 24.54 C ATOM 320 CG GLN A 24 -1.362 2.696 10.368 1.00 51.24 C ATOM 321 CD GLN A 24 -2.689 3.160 9.770 1.00 72.04 C ATOM 322 OE1 GLN A 24 -2.855 3.177 8.550 1.00 2.42 O ATOM 323 NE2 GLN A 24 -3.642 3.542 10.624 1.00 33.31 N ATOM 0 H GLN A 24 -0.705 1.704 13.235 1.00 73.53 H new ATOM 0 HA GLN A 24 -3.252 1.226 11.831 1.00 14.24 H new ATOM 0 HB2 GLN A 24 -0.337 0.914 10.983 1.00 24.54 H new ATOM 0 HB3 GLN A 24 -1.718 0.623 9.945 1.00 24.54 H new ATOM 0 HG2 GLN A 24 -1.130 3.310 11.238 1.00 51.24 H new ATOM 0 HG3 GLN A 24 -0.567 2.860 9.640 1.00 51.24 H new ATOM 0 HE21 GLN A 24 -3.468 3.514 11.629 1.00 33.31 H new ATOM 0 HE22 GLN A 24 -4.544 3.862 10.272 1.00 33.31 H new ATOM 332 N GLU A 25 -3.282 -1.065 13.058 1.00 72.43 N ATOM 333 CA GLU A 25 -3.458 -2.488 13.405 1.00 54.23 C ATOM 334 C GLU A 25 -4.944 -2.885 13.257 1.00 2.24 C ATOM 335 O GLU A 25 -5.629 -3.196 14.241 1.00 63.11 O ATOM 336 CB GLU A 25 -2.906 -2.766 14.834 1.00 75.53 C ATOM 337 CG GLU A 25 -1.825 -3.849 14.882 1.00 71.41 C ATOM 338 CD GLU A 25 -1.232 -4.035 16.271 1.00 45.12 C ATOM 339 OE1 GLU A 25 -0.267 -3.314 16.608 1.00 70.23 O ATOM 340 OE2 GLU A 25 -1.729 -4.904 17.019 1.00 54.20 O1- ATOM 0 H GLU A 25 -4.001 -0.454 13.446 1.00 72.43 H new ATOM 0 HA GLU A 25 -2.885 -3.109 12.716 1.00 54.23 H new ATOM 0 HB2 GLU A 25 -2.498 -1.841 15.241 1.00 75.53 H new ATOM 0 HB3 GLU A 25 -3.732 -3.062 15.481 1.00 75.53 H new ATOM 0 HG2 GLU A 25 -2.250 -4.794 14.545 1.00 71.41 H new ATOM 0 HG3 GLU A 25 -1.028 -3.591 14.184 1.00 71.41 H new ATOM 347 N THR A 26 -5.432 -2.849 12.001 1.00 13.34 N ATOM 348 CA THR A 26 -6.830 -3.182 11.671 1.00 42.14 C ATOM 349 C THR A 26 -6.893 -4.084 10.423 1.00 55.30 C ATOM 350 O THR A 26 -6.060 -3.961 9.520 1.00 12.13 O ATOM 351 CB THR A 26 -7.643 -1.883 11.446 1.00 23.54 C ATOM 352 OG1 THR A 26 -7.317 -0.894 12.419 1.00 12.33 O ATOM 353 CG2 THR A 26 -9.153 -2.081 11.485 1.00 44.21 C ATOM 0 H THR A 26 -4.870 -2.589 11.191 1.00 13.34 H new ATOM 0 HA THR A 26 -7.267 -3.729 12.506 1.00 42.14 H new ATOM 0 HB THR A 26 -7.364 -1.560 10.443 1.00 23.54 H new ATOM 0 HG1 THR A 26 -7.844 -0.085 12.252 1.00 12.33 H new ATOM 0 HG21 THR A 26 -9.650 -1.125 11.319 1.00 44.21 H new ATOM 0 HG22 THR A 26 -9.448 -2.783 10.705 1.00 44.21 H new ATOM 0 HG23 THR A 26 -9.443 -2.477 12.458 1.00 44.21 H new ATOM 361 N LEU A 27 -7.895 -4.987 10.383 1.00 24.01 N ATOM 362 CA LEU A 27 -8.084 -5.917 9.250 1.00 71.22 C ATOM 363 C LEU A 27 -8.777 -5.213 8.066 1.00 33.05 C ATOM 364 O LEU A 27 -9.617 -4.332 8.274 1.00 34.12 O ATOM 365 CB LEU A 27 -8.907 -7.148 9.702 1.00 55.40 C ATOM 366 CG LEU A 27 -8.758 -8.424 8.837 1.00 14.33 C ATOM 367 CD1 LEU A 27 -7.390 -9.085 9.049 1.00 62.13 C ATOM 368 CD2 LEU A 27 -9.886 -9.415 9.141 1.00 43.44 C ATOM 0 H LEU A 27 -8.587 -5.092 11.125 1.00 24.01 H new ATOM 0 HA LEU A 27 -7.102 -6.252 8.915 1.00 71.22 H new ATOM 0 HB2 LEU A 27 -8.624 -7.393 10.726 1.00 55.40 H new ATOM 0 HB3 LEU A 27 -9.960 -6.868 9.721 1.00 55.40 H new ATOM 0 HG LEU A 27 -8.827 -8.127 7.790 1.00 14.33 H new ATOM 0 HD11 LEU A 27 -7.317 -9.978 8.428 1.00 62.13 H new ATOM 0 HD12 LEU A 27 -6.601 -8.385 8.773 1.00 62.13 H new ATOM 0 HD13 LEU A 27 -7.278 -9.362 10.097 1.00 62.13 H new ATOM 0 HD21 LEU A 27 -9.764 -10.305 8.524 1.00 43.44 H new ATOM 0 HD22 LEU A 27 -9.850 -9.696 10.194 1.00 43.44 H new ATOM 0 HD23 LEU A 27 -10.847 -8.950 8.922 1.00 43.44 H new ATOM 380 N VAL A 28 -8.412 -5.609 6.827 1.00 1.00 N ATOM 381 CA VAL A 28 -8.990 -5.021 5.598 1.00 3.11 C ATOM 382 C VAL A 28 -9.584 -6.110 4.678 1.00 23.13 C ATOM 383 O VAL A 28 -9.122 -7.256 4.689 1.00 10.12 O ATOM 384 CB VAL A 28 -7.946 -4.154 4.812 1.00 23.14 C ATOM 385 CG1 VAL A 28 -7.494 -2.956 5.652 1.00 21.03 C ATOM 386 CG2 VAL A 28 -6.730 -4.972 4.351 1.00 52.54 C ATOM 0 H VAL A 28 -7.718 -6.335 6.651 1.00 1.00 H new ATOM 0 HA VAL A 28 -9.796 -4.361 5.918 1.00 3.11 H new ATOM 0 HB VAL A 28 -8.449 -3.792 3.916 1.00 23.14 H new ATOM 0 HG11 VAL A 28 -6.770 -2.368 5.088 1.00 21.03 H new ATOM 0 HG12 VAL A 28 -8.356 -2.335 5.893 1.00 21.03 H new ATOM 0 HG13 VAL A 28 -7.033 -3.311 6.574 1.00 21.03 H new ATOM 0 HG21 VAL A 28 -6.039 -4.324 3.812 1.00 52.54 H new ATOM 0 HG22 VAL A 28 -6.227 -5.397 5.220 1.00 52.54 H new ATOM 0 HG23 VAL A 28 -7.061 -5.776 3.694 1.00 52.54 H new ATOM 396 N ARG A 29 -10.614 -5.734 3.887 1.00 12.13 N ATOM 397 CA ARG A 29 -11.294 -6.661 2.956 1.00 61.31 C ATOM 398 C ARG A 29 -11.137 -6.189 1.492 1.00 70.22 C ATOM 399 O ARG A 29 -10.958 -4.989 1.250 1.00 0.51 O ATOM 400 CB ARG A 29 -12.792 -6.768 3.313 1.00 15.10 C ATOM 401 CG ARG A 29 -13.078 -7.471 4.652 1.00 71.41 C ATOM 402 CD ARG A 29 -14.171 -6.767 5.461 1.00 0.45 C ATOM 403 NE ARG A 29 -15.492 -6.809 4.802 1.00 44.12 N ATOM 404 CZ ARG A 29 -16.562 -6.069 5.164 1.00 22.32 C ATOM 405 NH1 ARG A 29 -16.507 -5.211 6.193 1.00 3.25 N1+ ATOM 406 NH2 ARG A 29 -17.704 -6.194 4.486 1.00 73.40 N ATOM 0 H ARG A 29 -10.994 -4.788 3.876 1.00 12.13 H new ATOM 0 HA ARG A 29 -10.829 -7.642 3.054 1.00 61.31 H new ATOM 0 HB2 ARG A 29 -13.218 -5.765 3.345 1.00 15.10 H new ATOM 0 HB3 ARG A 29 -13.305 -7.307 2.517 1.00 15.10 H new ATOM 0 HG2 ARG A 29 -13.378 -8.501 4.461 1.00 71.41 H new ATOM 0 HG3 ARG A 29 -12.162 -7.510 5.241 1.00 71.41 H new ATOM 0 HD2 ARG A 29 -14.246 -7.233 6.443 1.00 0.45 H new ATOM 0 HD3 ARG A 29 -13.884 -5.728 5.622 1.00 0.45 H new ATOM 0 HE ARG A 29 -15.605 -7.446 4.013 1.00 44.12 H new ATOM 0 HH11 ARG A 29 -15.642 -5.105 6.723 1.00 3.25 H new ATOM 0 HH12 ARG A 29 -17.330 -4.664 6.445 1.00 3.25 H new ATOM 0 HH21 ARG A 29 -17.763 -6.844 3.702 1.00 73.40 H new ATOM 0 HH22 ARG A 29 -18.518 -5.640 4.751 1.00 73.40 H new ATOM 420 N PRO A 30 -11.202 -7.121 0.483 1.00 13.34 N ATOM 421 CA PRO A 30 -11.062 -6.759 -0.941 1.00 44.53 C ATOM 422 C PRO A 30 -12.354 -6.155 -1.543 1.00 55.31 C ATOM 423 O PRO A 30 -13.343 -6.867 -1.748 1.00 55.35 O ATOM 424 CB PRO A 30 -10.700 -8.099 -1.597 1.00 72.02 C ATOM 425 CG PRO A 30 -11.366 -9.135 -0.755 1.00 41.30 C ATOM 426 CD PRO A 30 -11.410 -8.586 0.651 1.00 54.41 C ATOM 0 HA PRO A 30 -10.318 -5.978 -1.100 1.00 44.53 H new ATOM 0 HB2 PRO A 30 -11.053 -8.142 -2.627 1.00 72.02 H new ATOM 0 HB3 PRO A 30 -9.620 -8.246 -1.623 1.00 72.02 H new ATOM 0 HG2 PRO A 30 -12.371 -9.344 -1.121 1.00 41.30 H new ATOM 0 HG3 PRO A 30 -10.814 -10.074 -0.787 1.00 41.30 H new ATOM 0 HD2 PRO A 30 -12.365 -8.799 1.131 1.00 54.41 H new ATOM 0 HD3 PRO A 30 -10.634 -9.029 1.275 1.00 54.41 H new ATOM 434 N LYS A 31 -12.323 -4.834 -1.819 1.00 12.25 N ATOM 435 CA LYS A 31 -13.475 -4.105 -2.398 1.00 75.32 C ATOM 436 C LYS A 31 -13.039 -2.765 -3.064 1.00 44.12 C ATOM 437 O LYS A 31 -13.227 -2.613 -4.275 1.00 51.41 O ATOM 438 CB LYS A 31 -14.578 -3.861 -1.325 1.00 64.02 C ATOM 439 CG LYS A 31 -15.798 -4.789 -1.439 1.00 1.43 C ATOM 440 CD LYS A 31 -16.903 -4.196 -2.320 1.00 52.24 C ATOM 441 CE LYS A 31 -18.043 -5.188 -2.551 1.00 4.45 C ATOM 442 NZ LYS A 31 -19.129 -4.619 -3.404 1.00 30.11 N1+ ATOM 0 H LYS A 31 -11.507 -4.246 -1.649 1.00 12.25 H new ATOM 0 HA LYS A 31 -13.895 -4.735 -3.182 1.00 75.32 H new ATOM 0 HB2 LYS A 31 -14.137 -3.982 -0.336 1.00 64.02 H new ATOM 0 HB3 LYS A 31 -14.916 -2.827 -1.399 1.00 64.02 H new ATOM 0 HG2 LYS A 31 -15.484 -5.748 -1.851 1.00 1.43 H new ATOM 0 HG3 LYS A 31 -16.197 -4.985 -0.444 1.00 1.43 H new ATOM 0 HD2 LYS A 31 -17.296 -3.294 -1.851 1.00 52.24 H new ATOM 0 HD3 LYS A 31 -16.481 -3.898 -3.280 1.00 52.24 H new ATOM 0 HE2 LYS A 31 -17.648 -6.088 -3.023 1.00 4.45 H new ATOM 0 HE3 LYS A 31 -18.460 -5.489 -1.590 1.00 4.45 H new ATOM 0 HZ1 LYS A 31 -19.878 -5.329 -3.532 1.00 30.11 H new ATOM 0 HZ2 LYS A 31 -19.526 -3.775 -2.943 1.00 30.11 H new ATOM 0 HZ3 LYS A 31 -18.740 -4.356 -4.332 1.00 30.11 H new ATOM 456 N PRO A 32 -12.474 -1.759 -2.300 1.00 61.42 N ATOM 457 CA PRO A 32 -12.061 -0.449 -2.880 1.00 3.42 C ATOM 458 C PRO A 32 -10.862 -0.539 -3.872 1.00 55.02 C ATOM 459 O PRO A 32 -10.504 -1.632 -4.321 1.00 64.12 O ATOM 460 CB PRO A 32 -11.742 0.405 -1.634 1.00 43.50 C ATOM 461 CG PRO A 32 -11.406 -0.571 -0.567 1.00 2.30 C ATOM 462 CD PRO A 32 -12.231 -1.795 -0.833 1.00 20.43 C ATOM 0 HA PRO A 32 -12.843 -0.020 -3.506 1.00 3.42 H new ATOM 0 HB2 PRO A 32 -10.910 1.083 -1.824 1.00 43.50 H new ATOM 0 HB3 PRO A 32 -12.595 1.021 -1.350 1.00 43.50 H new ATOM 0 HG2 PRO A 32 -10.343 -0.810 -0.581 1.00 2.30 H new ATOM 0 HG3 PRO A 32 -11.628 -0.160 0.418 1.00 2.30 H new ATOM 0 HD2 PRO A 32 -11.704 -2.702 -0.539 1.00 20.43 H new ATOM 0 HD3 PRO A 32 -13.166 -1.774 -0.274 1.00 20.43 H new ATOM 470 N LEU A 33 -10.289 0.631 -4.250 1.00 3.14 N ATOM 471 CA LEU A 33 -9.179 0.712 -5.236 1.00 34.03 C ATOM 472 C LEU A 33 -7.771 0.477 -4.636 1.00 53.33 C ATOM 473 O LEU A 33 -6.928 -0.121 -5.309 1.00 62.24 O ATOM 474 CB LEU A 33 -9.234 2.092 -5.955 1.00 31.33 C ATOM 475 CG LEU A 33 -8.536 2.235 -7.344 1.00 31.34 C ATOM 476 CD1 LEU A 33 -7.021 2.426 -7.210 1.00 63.30 C ATOM 477 CD2 LEU A 33 -8.856 1.062 -8.282 1.00 24.25 C ATOM 0 H LEU A 33 -10.579 1.538 -3.884 1.00 3.14 H new ATOM 0 HA LEU A 33 -9.332 -0.104 -5.942 1.00 34.03 H new ATOM 0 HB2 LEU A 33 -10.283 2.358 -6.082 1.00 31.33 H new ATOM 0 HB3 LEU A 33 -8.796 2.832 -5.286 1.00 31.33 H new ATOM 0 HG LEU A 33 -8.947 3.137 -7.796 1.00 31.34 H new ATOM 0 HD11 LEU A 33 -6.577 2.521 -8.201 1.00 63.30 H new ATOM 0 HD12 LEU A 33 -6.818 3.328 -6.633 1.00 63.30 H new ATOM 0 HD13 LEU A 33 -6.589 1.565 -6.700 1.00 63.30 H new ATOM 0 HD21 LEU A 33 -8.347 1.209 -9.235 1.00 24.25 H new ATOM 0 HD22 LEU A 33 -8.517 0.131 -7.829 1.00 24.25 H new ATOM 0 HD23 LEU A 33 -9.932 1.013 -8.449 1.00 24.25 H new ATOM 489 N LEU A 34 -7.501 0.968 -3.403 1.00 33.44 N ATOM 490 CA LEU A 34 -6.156 0.828 -2.764 1.00 23.22 C ATOM 491 C LEU A 34 -5.609 -0.621 -2.796 1.00 31.40 C ATOM 492 O LEU A 34 -4.513 -0.850 -3.319 1.00 55.43 O ATOM 493 CB LEU A 34 -6.171 1.372 -1.307 1.00 1.34 C ATOM 494 CG LEU A 34 -4.841 1.965 -0.754 1.00 23.30 C ATOM 495 CD1 LEU A 34 -3.671 0.980 -0.868 1.00 15.31 C ATOM 496 CD2 LEU A 34 -4.497 3.296 -1.434 1.00 13.34 C ATOM 0 H LEU A 34 -8.185 1.461 -2.830 1.00 33.44 H new ATOM 0 HA LEU A 34 -5.474 1.431 -3.364 1.00 23.22 H new ATOM 0 HB2 LEU A 34 -6.937 2.144 -1.243 1.00 1.34 H new ATOM 0 HB3 LEU A 34 -6.479 0.561 -0.647 1.00 1.34 H new ATOM 0 HG LEU A 34 -5.003 2.154 0.307 1.00 23.30 H new ATOM 0 HD11 LEU A 34 -2.767 1.441 -0.469 1.00 15.31 H new ATOM 0 HD12 LEU A 34 -3.899 0.077 -0.301 1.00 15.31 H new ATOM 0 HD13 LEU A 34 -3.514 0.721 -1.915 1.00 15.31 H new ATOM 0 HD21 LEU A 34 -3.564 3.683 -1.025 1.00 13.34 H new ATOM 0 HD22 LEU A 34 -4.386 3.138 -2.507 1.00 13.34 H new ATOM 0 HD23 LEU A 34 -5.297 4.014 -1.254 1.00 13.34 H new ATOM 508 N LEU A 35 -6.369 -1.591 -2.244 1.00 63.32 N ATOM 509 CA LEU A 35 -5.935 -3.016 -2.224 1.00 34.31 C ATOM 510 C LEU A 35 -5.974 -3.700 -3.619 1.00 23.52 C ATOM 511 O LEU A 35 -5.502 -4.832 -3.752 1.00 4.41 O ATOM 512 CB LEU A 35 -6.708 -3.877 -1.172 1.00 42.21 C ATOM 513 CG LEU A 35 -8.253 -3.713 -1.012 1.00 11.51 C ATOM 514 CD1 LEU A 35 -8.597 -2.684 0.071 1.00 44.34 C ATOM 515 CD2 LEU A 35 -8.970 -3.395 -2.338 1.00 44.34 C ATOM 0 H LEU A 35 -7.276 -1.423 -1.810 1.00 63.32 H new ATOM 0 HA LEU A 35 -4.890 -2.972 -1.917 1.00 34.31 H new ATOM 0 HB2 LEU A 35 -6.516 -4.924 -1.406 1.00 42.21 H new ATOM 0 HB3 LEU A 35 -6.259 -3.680 -0.199 1.00 42.21 H new ATOM 0 HG LEU A 35 -8.629 -4.684 -0.689 1.00 11.51 H new ATOM 0 HD11 LEU A 35 -9.680 -2.594 0.157 1.00 44.34 H new ATOM 0 HD12 LEU A 35 -8.183 -3.008 1.026 1.00 44.34 H new ATOM 0 HD13 LEU A 35 -8.173 -1.717 -0.198 1.00 44.34 H new ATOM 0 HD21 LEU A 35 -10.040 -3.293 -2.158 1.00 44.34 H new ATOM 0 HD22 LEU A 35 -8.581 -2.463 -2.748 1.00 44.34 H new ATOM 0 HD23 LEU A 35 -8.797 -4.204 -3.048 1.00 44.34 H new ATOM 527 N LYS A 36 -6.507 -3.013 -4.656 1.00 52.03 N ATOM 528 CA LYS A 36 -6.561 -3.568 -6.027 1.00 25.21 C ATOM 529 C LYS A 36 -5.153 -3.623 -6.679 1.00 2.21 C ATOM 530 O LYS A 36 -4.919 -4.446 -7.568 1.00 41.31 O ATOM 531 CB LYS A 36 -7.522 -2.734 -6.908 1.00 24.25 C ATOM 532 CG LYS A 36 -8.132 -3.505 -8.082 1.00 62.04 C ATOM 533 CD LYS A 36 -8.979 -2.602 -8.987 1.00 5.21 C ATOM 534 CE LYS A 36 -9.703 -3.391 -10.089 1.00 24.03 C ATOM 535 NZ LYS A 36 -9.267 -2.989 -11.460 1.00 2.35 N1+ ATOM 0 H LYS A 36 -6.904 -2.077 -4.569 1.00 52.03 H new ATOM 0 HA LYS A 36 -6.936 -4.589 -5.954 1.00 25.21 H new ATOM 0 HB2 LYS A 36 -8.328 -2.350 -6.283 1.00 24.25 H new ATOM 0 HB3 LYS A 36 -6.982 -1.871 -7.297 1.00 24.25 H new ATOM 0 HG2 LYS A 36 -7.335 -3.961 -8.669 1.00 62.04 H new ATOM 0 HG3 LYS A 36 -8.750 -4.317 -7.700 1.00 62.04 H new ATOM 0 HD2 LYS A 36 -9.714 -2.072 -8.381 1.00 5.21 H new ATOM 0 HD3 LYS A 36 -8.339 -1.848 -9.445 1.00 5.21 H new ATOM 0 HE2 LYS A 36 -9.518 -4.456 -9.950 1.00 24.03 H new ATOM 0 HE3 LYS A 36 -10.778 -3.239 -9.994 1.00 24.03 H new ATOM 0 HZ1 LYS A 36 -9.784 -3.550 -12.167 1.00 2.35 H new ATOM 0 HZ2 LYS A 36 -9.467 -1.979 -11.606 1.00 2.35 H new ATOM 0 HZ3 LYS A 36 -8.246 -3.158 -11.563 1.00 2.35 H new ATOM 549 N LEU A 37 -4.223 -2.741 -6.229 1.00 2.53 N ATOM 550 CA LEU A 37 -2.841 -2.685 -6.764 1.00 21.44 C ATOM 551 C LEU A 37 -2.035 -3.959 -6.423 1.00 11.32 C ATOM 552 O LEU A 37 -1.339 -4.498 -7.289 1.00 70.41 O ATOM 553 CB LEU A 37 -2.107 -1.431 -6.220 1.00 33.02 C ATOM 554 CG LEU A 37 -0.746 -1.076 -6.888 1.00 14.40 C ATOM 555 CD1 LEU A 37 -0.521 0.438 -6.912 1.00 13.33 C ATOM 556 CD2 LEU A 37 0.427 -1.773 -6.183 1.00 2.35 C ATOM 0 H LEU A 37 -4.408 -2.058 -5.495 1.00 2.53 H new ATOM 0 HA LEU A 37 -2.914 -2.622 -7.850 1.00 21.44 H new ATOM 0 HB2 LEU A 37 -2.772 -0.574 -6.326 1.00 33.02 H new ATOM 0 HB3 LEU A 37 -1.936 -1.572 -5.153 1.00 33.02 H new ATOM 0 HG LEU A 37 -0.789 -1.438 -7.915 1.00 14.40 H new ATOM 0 HD11 LEU A 37 0.437 0.656 -7.384 1.00 13.33 H new ATOM 0 HD12 LEU A 37 -1.321 0.916 -7.477 1.00 13.33 H new ATOM 0 HD13 LEU A 37 -0.518 0.822 -5.892 1.00 13.33 H new ATOM 0 HD21 LEU A 37 1.361 -1.502 -6.676 1.00 2.35 H new ATOM 0 HD22 LEU A 37 0.463 -1.459 -5.140 1.00 2.35 H new ATOM 0 HD23 LEU A 37 0.291 -2.853 -6.232 1.00 2.35 H new ATOM 568 N LEU A 38 -2.121 -4.419 -5.158 1.00 63.42 N ATOM 569 CA LEU A 38 -1.379 -5.619 -4.699 1.00 11.02 C ATOM 570 C LEU A 38 -2.022 -6.961 -5.136 1.00 23.42 C ATOM 571 O LEU A 38 -1.411 -8.016 -4.937 1.00 41.24 O ATOM 572 CB LEU A 38 -1.163 -5.603 -3.164 1.00 73.22 C ATOM 573 CG LEU A 38 -2.404 -5.295 -2.281 1.00 24.44 C ATOM 574 CD1 LEU A 38 -2.576 -6.341 -1.176 1.00 44.53 C ATOM 575 CD2 LEU A 38 -2.312 -3.888 -1.681 1.00 11.13 C ATOM 0 H LEU A 38 -2.694 -3.982 -4.436 1.00 63.42 H new ATOM 0 HA LEU A 38 -0.411 -5.561 -5.197 1.00 11.02 H new ATOM 0 HB2 LEU A 38 -0.769 -6.575 -2.867 1.00 73.22 H new ATOM 0 HB3 LEU A 38 -0.394 -4.864 -2.938 1.00 73.22 H new ATOM 0 HG LEU A 38 -3.284 -5.338 -2.923 1.00 24.44 H new ATOM 0 HD11 LEU A 38 -3.453 -6.096 -0.577 1.00 44.53 H new ATOM 0 HD12 LEU A 38 -2.706 -7.326 -1.624 1.00 44.53 H new ATOM 0 HD13 LEU A 38 -1.691 -6.347 -0.539 1.00 44.53 H new ATOM 0 HD21 LEU A 38 -3.192 -3.696 -1.067 1.00 11.13 H new ATOM 0 HD22 LEU A 38 -1.416 -3.813 -1.065 1.00 11.13 H new ATOM 0 HD23 LEU A 38 -2.262 -3.153 -2.484 1.00 11.13 H new ATOM 587 N LYS A 39 -3.230 -6.935 -5.742 1.00 15.52 N ATOM 588 CA LYS A 39 -3.899 -8.174 -6.205 1.00 62.24 C ATOM 589 C LYS A 39 -3.207 -8.776 -7.455 1.00 12.54 C ATOM 590 O LYS A 39 -3.301 -9.985 -7.688 1.00 15.42 O ATOM 591 CB LYS A 39 -5.397 -7.914 -6.495 1.00 55.43 C ATOM 592 CG LYS A 39 -6.223 -9.191 -6.730 1.00 75.22 C ATOM 593 CD LYS A 39 -7.724 -8.994 -6.467 1.00 12.31 C ATOM 594 CE LYS A 39 -8.106 -9.285 -5.012 1.00 14.40 C ATOM 595 NZ LYS A 39 -9.584 -9.403 -4.826 1.00 11.41 N1+ ATOM 0 H LYS A 39 -3.758 -6.081 -5.921 1.00 15.52 H new ATOM 0 HA LYS A 39 -3.816 -8.903 -5.399 1.00 62.24 H new ATOM 0 HB2 LYS A 39 -5.828 -7.365 -5.658 1.00 55.43 H new ATOM 0 HB3 LYS A 39 -5.480 -7.274 -7.373 1.00 55.43 H new ATOM 0 HG2 LYS A 39 -6.081 -9.525 -7.758 1.00 75.22 H new ATOM 0 HG3 LYS A 39 -5.848 -9.984 -6.083 1.00 75.22 H new ATOM 0 HD2 LYS A 39 -8.002 -7.970 -6.715 1.00 12.31 H new ATOM 0 HD3 LYS A 39 -8.294 -9.647 -7.127 1.00 12.31 H new ATOM 0 HE2 LYS A 39 -7.627 -10.210 -4.691 1.00 14.40 H new ATOM 0 HE3 LYS A 39 -7.724 -8.489 -4.372 1.00 14.40 H new ATOM 0 HZ1 LYS A 39 -9.793 -9.600 -3.827 1.00 11.41 H new ATOM 0 HZ2 LYS A 39 -10.041 -8.512 -5.107 1.00 11.41 H new ATOM 0 HZ3 LYS A 39 -9.947 -10.179 -5.415 1.00 11.41 H new ATOM 609 N SER A 40 -2.521 -7.928 -8.256 1.00 32.10 N ATOM 610 CA SER A 40 -1.826 -8.375 -9.481 1.00 34.32 C ATOM 611 C SER A 40 -0.338 -8.725 -9.238 1.00 25.43 C ATOM 612 O SER A 40 0.225 -9.527 -9.990 1.00 55.05 O ATOM 613 CB SER A 40 -1.938 -7.294 -10.570 1.00 51.14 C ATOM 614 OG SER A 40 -1.459 -7.765 -11.822 1.00 33.44 O ATOM 0 H SER A 40 -2.435 -6.928 -8.073 1.00 32.10 H new ATOM 0 HA SER A 40 -2.318 -9.291 -9.808 1.00 34.32 H new ATOM 0 HB2 SER A 40 -2.978 -6.984 -10.671 1.00 51.14 H new ATOM 0 HB3 SER A 40 -1.370 -6.413 -10.270 1.00 51.14 H new ATOM 0 HG SER A 40 -1.545 -7.056 -12.493 1.00 33.44 H new ATOM 620 N VAL A 41 0.305 -8.123 -8.208 1.00 1.11 N ATOM 621 CA VAL A 41 1.739 -8.387 -7.916 1.00 22.02 C ATOM 622 C VAL A 41 1.972 -9.776 -7.278 1.00 14.34 C ATOM 623 O VAL A 41 2.925 -10.467 -7.652 1.00 15.43 O ATOM 624 CB VAL A 41 2.404 -7.273 -7.029 1.00 3.33 C ATOM 625 CG1 VAL A 41 2.291 -5.900 -7.695 1.00 14.13 C ATOM 626 CG2 VAL A 41 1.833 -7.233 -5.603 1.00 15.40 C ATOM 0 H VAL A 41 -0.138 -7.460 -7.572 1.00 1.11 H new ATOM 0 HA VAL A 41 2.227 -8.372 -8.891 1.00 22.02 H new ATOM 0 HB VAL A 41 3.459 -7.533 -6.942 1.00 3.33 H new ATOM 0 HG11 VAL A 41 2.759 -5.148 -7.060 1.00 14.13 H new ATOM 0 HG12 VAL A 41 2.794 -5.922 -8.662 1.00 14.13 H new ATOM 0 HG13 VAL A 41 1.240 -5.650 -7.838 1.00 14.13 H new ATOM 0 HG21 VAL A 41 2.328 -6.446 -5.035 1.00 15.40 H new ATOM 0 HG22 VAL A 41 0.763 -7.032 -5.645 1.00 15.40 H new ATOM 0 HG23 VAL A 41 2.003 -8.193 -5.116 1.00 15.40 H new ATOM 636 N GLY A 42 1.111 -10.175 -6.319 1.00 20.13 N ATOM 637 CA GLY A 42 1.260 -11.474 -5.659 1.00 41.10 C ATOM 638 C GLY A 42 0.530 -11.564 -4.324 1.00 54.14 C ATOM 639 O GLY A 42 1.166 -11.767 -3.285 1.00 62.34 O ATOM 0 H GLY A 42 0.319 -9.621 -5.993 1.00 20.13 H new ATOM 0 HA2 GLY A 42 0.887 -12.255 -6.322 1.00 41.10 H new ATOM 0 HA3 GLY A 42 2.320 -11.672 -5.499 1.00 41.10 H new ATOM 643 N ALA A 43 -0.807 -11.423 -4.359 1.00 73.22 N ATOM 644 CA ALA A 43 -1.647 -11.496 -3.155 1.00 65.13 C ATOM 645 C ALA A 43 -2.809 -12.474 -3.377 1.00 34.51 C ATOM 646 O ALA A 43 -3.820 -12.116 -3.994 1.00 21.11 O ATOM 647 CB ALA A 43 -2.160 -10.107 -2.778 1.00 74.15 C ATOM 0 H ALA A 43 -1.331 -11.256 -5.218 1.00 73.22 H new ATOM 0 HA ALA A 43 -1.044 -11.868 -2.326 1.00 65.13 H new ATOM 0 HB1 ALA A 43 -2.780 -10.178 -1.885 1.00 74.15 H new ATOM 0 HB2 ALA A 43 -1.314 -9.448 -2.581 1.00 74.15 H new ATOM 0 HB3 ALA A 43 -2.752 -9.702 -3.599 1.00 74.15 H new ATOM 653 N GLN A 44 -2.645 -13.718 -2.884 1.00 13.30 N ATOM 654 CA GLN A 44 -3.665 -14.772 -3.034 1.00 63.11 C ATOM 655 C GLN A 44 -4.338 -15.126 -1.682 1.00 42.53 C ATOM 656 O GLN A 44 -4.790 -16.261 -1.490 1.00 75.34 O ATOM 657 CB GLN A 44 -3.024 -16.025 -3.681 1.00 1.21 C ATOM 658 CG GLN A 44 -3.994 -16.872 -4.506 1.00 0.32 C ATOM 659 CD GLN A 44 -3.297 -17.973 -5.299 1.00 34.40 C ATOM 660 OE1 GLN A 44 -3.071 -17.830 -6.501 1.00 52.41 O ATOM 661 NE2 GLN A 44 -2.948 -19.078 -4.635 1.00 54.13 N ATOM 0 H GLN A 44 -1.812 -14.017 -2.377 1.00 13.30 H new ATOM 0 HA GLN A 44 -4.453 -14.394 -3.686 1.00 63.11 H new ATOM 0 HB2 GLN A 44 -2.201 -15.708 -4.322 1.00 1.21 H new ATOM 0 HB3 GLN A 44 -2.595 -16.646 -2.895 1.00 1.21 H new ATOM 0 HG2 GLN A 44 -4.731 -17.322 -3.841 1.00 0.32 H new ATOM 0 HG3 GLN A 44 -4.538 -16.225 -5.194 1.00 0.32 H new ATOM 0 HE21 GLN A 44 -3.152 -19.160 -3.639 1.00 54.13 H new ATOM 0 HE22 GLN A 44 -2.477 -19.840 -5.124 1.00 54.13 H new ATOM 670 N LYS A 45 -4.423 -14.141 -0.755 1.00 63.25 N ATOM 671 CA LYS A 45 -5.060 -14.347 0.561 1.00 51.42 C ATOM 672 C LYS A 45 -6.484 -13.763 0.565 1.00 11.24 C ATOM 673 O LYS A 45 -6.797 -12.874 -0.235 1.00 65.33 O ATOM 674 CB LYS A 45 -4.218 -13.709 1.691 1.00 63.54 C ATOM 675 CG LYS A 45 -2.877 -14.412 1.952 1.00 61.22 C ATOM 676 CD LYS A 45 -2.335 -14.147 3.365 1.00 44.40 C ATOM 677 CE LYS A 45 -1.759 -12.736 3.522 1.00 61.34 C ATOM 678 NZ LYS A 45 -1.277 -12.472 4.911 1.00 72.14 N1+ ATOM 0 H LYS A 45 -4.058 -13.199 -0.898 1.00 63.25 H new ATOM 0 HA LYS A 45 -5.118 -15.420 0.743 1.00 51.42 H new ATOM 0 HB2 LYS A 45 -4.026 -12.666 1.440 1.00 63.54 H new ATOM 0 HB3 LYS A 45 -4.803 -13.713 2.611 1.00 63.54 H new ATOM 0 HG2 LYS A 45 -3.000 -15.486 1.810 1.00 61.22 H new ATOM 0 HG3 LYS A 45 -2.146 -14.075 1.217 1.00 61.22 H new ATOM 0 HD2 LYS A 45 -3.136 -14.291 4.090 1.00 44.40 H new ATOM 0 HD3 LYS A 45 -1.561 -14.879 3.596 1.00 44.40 H new ATOM 0 HE2 LYS A 45 -0.934 -12.603 2.822 1.00 61.34 H new ATOM 0 HE3 LYS A 45 -2.522 -12.003 3.259 1.00 61.34 H new ATOM 0 HZ1 LYS A 45 -0.896 -11.506 4.969 1.00 72.14 H new ATOM 0 HZ2 LYS A 45 -2.068 -12.573 5.578 1.00 72.14 H new ATOM 0 HZ3 LYS A 45 -0.530 -13.153 5.155 1.00 72.14 H new ATOM 692 N ASP A 46 -7.345 -14.272 1.470 1.00 51.35 N ATOM 693 CA ASP A 46 -8.744 -13.807 1.580 1.00 31.51 C ATOM 694 C ASP A 46 -8.827 -12.421 2.252 1.00 63.40 C ATOM 695 O ASP A 46 -9.508 -11.529 1.739 1.00 24.44 O ATOM 696 CB ASP A 46 -9.602 -14.836 2.354 1.00 52.32 C ATOM 697 CG ASP A 46 -11.090 -14.717 2.055 1.00 73.25 C ATOM 698 OD1 ASP A 46 -11.545 -15.320 1.059 1.00 65.15 O1- ATOM 699 OD2 ASP A 46 -11.794 -14.016 2.812 1.00 52.12 O ATOM 0 H ASP A 46 -7.097 -15.005 2.135 1.00 51.35 H new ATOM 0 HA ASP A 46 -9.141 -13.712 0.569 1.00 31.51 H new ATOM 0 HB2 ASP A 46 -9.266 -15.842 2.103 1.00 52.32 H new ATOM 0 HB3 ASP A 46 -9.441 -14.704 3.424 1.00 52.32 H new ATOM 704 N THR A 47 -8.136 -12.255 3.398 1.00 25.14 N ATOM 705 CA THR A 47 -8.128 -10.983 4.148 1.00 72.12 C ATOM 706 C THR A 47 -6.695 -10.590 4.549 1.00 43.55 C ATOM 707 O THR A 47 -5.909 -11.447 4.969 1.00 51.52 O ATOM 708 CB THR A 47 -9.018 -11.094 5.407 1.00 43.22 C ATOM 709 OG1 THR A 47 -8.676 -12.242 6.172 1.00 34.30 O ATOM 710 CG2 THR A 47 -10.507 -11.177 5.104 1.00 11.42 C ATOM 0 H THR A 47 -7.574 -12.990 3.826 1.00 25.14 H new ATOM 0 HA THR A 47 -8.529 -10.206 3.498 1.00 72.12 H new ATOM 0 HB THR A 47 -8.829 -10.174 5.960 1.00 43.22 H new ATOM 0 HG1 THR A 47 -9.251 -12.290 6.964 1.00 34.30 H new ATOM 0 HG21 THR A 47 -11.065 -11.253 6.038 1.00 11.42 H new ATOM 0 HG22 THR A 47 -10.819 -10.282 4.566 1.00 11.42 H new ATOM 0 HG23 THR A 47 -10.705 -12.056 4.491 1.00 11.42 H new ATOM 718 N TYR A 48 -6.372 -9.285 4.422 1.00 74.04 N ATOM 719 CA TYR A 48 -5.039 -8.748 4.773 1.00 64.22 C ATOM 720 C TYR A 48 -5.146 -7.782 5.971 1.00 71.01 C ATOM 721 O TYR A 48 -6.253 -7.460 6.411 1.00 41.41 O ATOM 722 CB TYR A 48 -4.389 -8.015 3.562 1.00 11.00 C ATOM 723 CG TYR A 48 -4.843 -8.490 2.180 1.00 74.44 C ATOM 724 CD1 TYR A 48 -4.362 -9.678 1.632 1.00 32.14 C ATOM 725 CD2 TYR A 48 -5.747 -7.742 1.424 1.00 45.42 C ATOM 726 CE1 TYR A 48 -4.768 -10.101 0.378 1.00 64.53 C ATOM 727 CE2 TYR A 48 -6.155 -8.162 0.172 1.00 63.32 C ATOM 728 CZ TYR A 48 -5.664 -9.341 -0.347 1.00 21.01 C ATOM 729 OH TYR A 48 -6.069 -9.763 -1.596 1.00 14.21 O ATOM 0 H TYR A 48 -7.022 -8.579 4.076 1.00 74.04 H new ATOM 0 HA TYR A 48 -4.404 -9.591 5.046 1.00 64.22 H new ATOM 0 HB2 TYR A 48 -4.602 -6.950 3.648 1.00 11.00 H new ATOM 0 HB3 TYR A 48 -3.307 -8.130 3.629 1.00 11.00 H new ATOM 0 HD1 TYR A 48 -3.662 -10.278 2.194 1.00 32.14 H new ATOM 0 HD2 TYR A 48 -6.135 -6.817 1.825 1.00 45.42 H new ATOM 0 HE1 TYR A 48 -4.385 -11.024 -0.032 1.00 64.53 H new ATOM 0 HE2 TYR A 48 -6.856 -7.569 -0.397 1.00 63.32 H new ATOM 0 HH TYR A 48 -6.701 -9.115 -1.971 1.00 14.21 H new ATOM 739 N THR A 49 -3.988 -7.309 6.477 1.00 1.41 N ATOM 740 CA THR A 49 -3.936 -6.356 7.606 1.00 51.35 C ATOM 741 C THR A 49 -3.374 -5.004 7.130 1.00 23.32 C ATOM 742 O THR A 49 -2.833 -4.910 6.023 1.00 65.12 O ATOM 743 CB THR A 49 -3.078 -6.919 8.764 1.00 52.03 C ATOM 744 OG1 THR A 49 -1.803 -7.334 8.301 1.00 55.31 O ATOM 745 CG2 THR A 49 -3.709 -8.102 9.477 1.00 2.53 C ATOM 0 H THR A 49 -3.070 -7.574 6.119 1.00 1.41 H new ATOM 0 HA THR A 49 -4.950 -6.207 7.978 1.00 51.35 H new ATOM 0 HB THR A 49 -2.995 -6.093 9.470 1.00 52.03 H new ATOM 0 HG1 THR A 49 -1.280 -7.684 9.052 1.00 55.31 H new ATOM 0 HG21 THR A 49 -3.048 -8.440 10.275 1.00 2.53 H new ATOM 0 HG22 THR A 49 -4.667 -7.802 9.901 1.00 2.53 H new ATOM 0 HG23 THR A 49 -3.865 -8.914 8.767 1.00 2.53 H new ATOM 753 N MET A 50 -3.496 -3.957 7.974 1.00 31.02 N ATOM 754 CA MET A 50 -2.990 -2.606 7.634 1.00 63.31 C ATOM 755 C MET A 50 -1.441 -2.543 7.642 1.00 61.42 C ATOM 756 O MET A 50 -0.861 -1.644 7.028 1.00 10.34 O ATOM 757 CB MET A 50 -3.579 -1.543 8.596 1.00 3.23 C ATOM 758 CG MET A 50 -3.627 -0.123 8.021 1.00 5.32 C ATOM 759 SD MET A 50 -4.953 0.128 6.817 1.00 22.44 S ATOM 760 CE MET A 50 -4.507 1.725 6.141 1.00 12.20 C ATOM 0 H MET A 50 -3.938 -4.019 8.891 1.00 31.02 H new ATOM 0 HA MET A 50 -3.320 -2.386 6.619 1.00 63.31 H new ATOM 0 HB2 MET A 50 -4.589 -1.843 8.874 1.00 3.23 H new ATOM 0 HB3 MET A 50 -2.987 -1.531 9.511 1.00 3.23 H new ATOM 0 HG2 MET A 50 -3.751 0.587 8.839 1.00 5.32 H new ATOM 0 HG3 MET A 50 -2.671 0.101 7.548 1.00 5.32 H new ATOM 0 HE1 MET A 50 -5.046 1.889 5.208 1.00 12.20 H new ATOM 0 HE2 MET A 50 -4.768 2.507 6.853 1.00 12.20 H new ATOM 0 HE3 MET A 50 -3.434 1.752 5.950 1.00 12.20 H new ATOM 770 N LYS A 51 -0.782 -3.506 8.324 1.00 70.14 N ATOM 771 CA LYS A 51 0.690 -3.567 8.393 1.00 65.45 C ATOM 772 C LYS A 51 1.272 -4.354 7.196 1.00 62.05 C ATOM 773 O LYS A 51 2.341 -4.002 6.688 1.00 2.53 O ATOM 774 CB LYS A 51 1.132 -4.206 9.730 1.00 33.21 C ATOM 775 CG LYS A 51 2.588 -3.914 10.134 1.00 74.43 C ATOM 776 CD LYS A 51 3.535 -5.092 9.860 1.00 41.21 C ATOM 777 CE LYS A 51 3.436 -6.194 10.922 1.00 34.44 C ATOM 778 NZ LYS A 51 4.179 -5.852 12.172 1.00 22.33 N1+ ATOM 0 H LYS A 51 -1.251 -4.253 8.836 1.00 70.14 H new ATOM 0 HA LYS A 51 1.078 -2.550 8.343 1.00 65.45 H new ATOM 0 HB2 LYS A 51 0.472 -3.852 10.522 1.00 33.21 H new ATOM 0 HB3 LYS A 51 0.998 -5.286 9.663 1.00 33.21 H new ATOM 0 HG2 LYS A 51 2.941 -3.037 9.591 1.00 74.43 H new ATOM 0 HG3 LYS A 51 2.622 -3.667 11.195 1.00 74.43 H new ATOM 0 HD2 LYS A 51 3.307 -5.515 8.882 1.00 41.21 H new ATOM 0 HD3 LYS A 51 4.561 -4.725 9.818 1.00 41.21 H new ATOM 0 HE2 LYS A 51 2.387 -6.369 11.163 1.00 34.44 H new ATOM 0 HE3 LYS A 51 3.829 -7.125 10.513 1.00 34.44 H new ATOM 0 HZ1 LYS A 51 4.081 -6.628 12.857 1.00 22.33 H new ATOM 0 HZ2 LYS A 51 5.185 -5.711 11.950 1.00 22.33 H new ATOM 0 HZ3 LYS A 51 3.789 -4.979 12.580 1.00 22.33 H new ATOM 792 N GLU A 52 0.559 -5.416 6.751 1.00 13.30 N ATOM 793 CA GLU A 52 1.001 -6.252 5.610 1.00 1.43 C ATOM 794 C GLU A 52 0.710 -5.577 4.254 1.00 20.11 C ATOM 795 O GLU A 52 1.466 -5.778 3.299 1.00 44.34 O ATOM 796 CB GLU A 52 0.338 -7.655 5.661 1.00 75.31 C ATOM 797 CG GLU A 52 1.252 -8.766 6.183 1.00 0.10 C ATOM 798 CD GLU A 52 2.257 -9.249 5.146 1.00 24.24 C ATOM 799 OE1 GLU A 52 3.323 -8.612 5.010 1.00 43.15 O1- ATOM 800 OE2 GLU A 52 1.970 -10.256 4.465 1.00 4.33 O ATOM 0 H GLU A 52 -0.324 -5.714 7.165 1.00 13.30 H new ATOM 0 HA GLU A 52 2.081 -6.368 5.700 1.00 1.43 H new ATOM 0 HB2 GLU A 52 -0.548 -7.602 6.294 1.00 75.31 H new ATOM 0 HB3 GLU A 52 -0.001 -7.920 4.660 1.00 75.31 H new ATOM 0 HG2 GLU A 52 1.789 -8.404 7.060 1.00 0.10 H new ATOM 0 HG3 GLU A 52 0.641 -9.608 6.508 1.00 0.10 H new ATOM 807 N VAL A 53 -0.382 -4.781 4.170 1.00 50.15 N ATOM 808 CA VAL A 53 -0.767 -4.080 2.921 1.00 41.00 C ATOM 809 C VAL A 53 0.321 -3.078 2.442 1.00 31.24 C ATOM 810 O VAL A 53 0.413 -2.797 1.244 1.00 51.13 O ATOM 811 CB VAL A 53 -2.158 -3.365 3.074 1.00 24.54 C ATOM 812 CG1 VAL A 53 -2.068 -2.074 3.902 1.00 12.44 C ATOM 813 CG2 VAL A 53 -2.805 -3.100 1.708 1.00 43.02 C ATOM 0 H VAL A 53 -1.013 -4.608 4.953 1.00 50.15 H new ATOM 0 HA VAL A 53 -0.858 -4.845 2.150 1.00 41.00 H new ATOM 0 HB VAL A 53 -2.800 -4.051 3.626 1.00 24.54 H new ATOM 0 HG11 VAL A 53 -3.056 -1.620 3.977 1.00 12.44 H new ATOM 0 HG12 VAL A 53 -1.699 -2.307 4.901 1.00 12.44 H new ATOM 0 HG13 VAL A 53 -1.385 -1.377 3.417 1.00 12.44 H new ATOM 0 HG21 VAL A 53 -3.765 -2.605 1.850 1.00 43.02 H new ATOM 0 HG22 VAL A 53 -2.152 -2.461 1.114 1.00 43.02 H new ATOM 0 HG23 VAL A 53 -2.958 -4.046 1.188 1.00 43.02 H new ATOM 823 N LEU A 54 1.142 -2.556 3.384 1.00 22.13 N ATOM 824 CA LEU A 54 2.224 -1.603 3.057 1.00 54.12 C ATOM 825 C LEU A 54 3.410 -2.311 2.360 1.00 43.33 C ATOM 826 O LEU A 54 4.044 -1.724 1.478 1.00 2.52 O ATOM 827 CB LEU A 54 2.704 -0.860 4.341 1.00 64.35 C ATOM 828 CG LEU A 54 2.883 0.679 4.240 1.00 43.15 C ATOM 829 CD1 LEU A 54 3.962 1.055 3.222 1.00 64.03 C ATOM 830 CD2 LEU A 54 1.557 1.378 3.915 1.00 65.15 C ATOM 0 H LEU A 54 1.074 -2.780 4.377 1.00 22.13 H new ATOM 0 HA LEU A 54 1.822 -0.868 2.359 1.00 54.12 H new ATOM 0 HB2 LEU A 54 1.990 -1.066 5.138 1.00 64.35 H new ATOM 0 HB3 LEU A 54 3.657 -1.292 4.646 1.00 64.35 H new ATOM 0 HG LEU A 54 3.214 1.028 5.218 1.00 43.15 H new ATOM 0 HD11 LEU A 54 4.059 2.140 3.179 1.00 64.03 H new ATOM 0 HD12 LEU A 54 4.914 0.617 3.522 1.00 64.03 H new ATOM 0 HD13 LEU A 54 3.683 0.676 2.239 1.00 64.03 H new ATOM 0 HD21 LEU A 54 1.719 2.454 3.852 1.00 65.15 H new ATOM 0 HD22 LEU A 54 1.177 1.012 2.962 1.00 65.15 H new ATOM 0 HD23 LEU A 54 0.832 1.166 4.701 1.00 65.15 H new ATOM 842 N PHE A 55 3.694 -3.574 2.757 1.00 75.12 N ATOM 843 CA PHE A 55 4.796 -4.369 2.168 1.00 73.04 C ATOM 844 C PHE A 55 4.525 -4.709 0.685 1.00 55.44 C ATOM 845 O PHE A 55 5.434 -4.610 -0.144 1.00 10.31 O ATOM 846 CB PHE A 55 5.026 -5.666 2.985 1.00 62.10 C ATOM 847 CG PHE A 55 6.266 -6.459 2.596 1.00 23.31 C ATOM 848 CD1 PHE A 55 6.227 -7.376 1.549 1.00 35.31 C ATOM 849 CD2 PHE A 55 7.468 -6.288 3.277 1.00 73.14 C ATOM 850 CE1 PHE A 55 7.351 -8.098 1.194 1.00 52.21 C ATOM 851 CE2 PHE A 55 8.593 -7.012 2.923 1.00 11.32 C ATOM 852 CZ PHE A 55 8.534 -7.915 1.881 1.00 21.40 C ATOM 0 H PHE A 55 3.173 -4.064 3.484 1.00 75.12 H new ATOM 0 HA PHE A 55 5.699 -3.760 2.209 1.00 73.04 H new ATOM 0 HB2 PHE A 55 5.096 -5.405 4.041 1.00 62.10 H new ATOM 0 HB3 PHE A 55 4.152 -6.308 2.873 1.00 62.10 H new ATOM 0 HD1 PHE A 55 5.305 -7.525 1.006 1.00 35.31 H new ATOM 0 HD2 PHE A 55 7.523 -5.581 4.092 1.00 73.14 H new ATOM 0 HE1 PHE A 55 7.304 -8.805 0.379 1.00 52.21 H new ATOM 0 HE2 PHE A 55 9.518 -6.870 3.463 1.00 11.32 H new ATOM 0 HZ PHE A 55 9.413 -8.478 1.603 1.00 21.40 H new ATOM 862 N TYR A 56 3.275 -5.109 0.360 1.00 73.42 N ATOM 863 CA TYR A 56 2.894 -5.463 -1.029 1.00 32.25 C ATOM 864 C TYR A 56 2.923 -4.238 -1.968 1.00 5.12 C ATOM 865 O TYR A 56 3.272 -4.377 -3.145 1.00 34.23 O ATOM 866 CB TYR A 56 1.497 -6.114 -1.077 1.00 11.21 C ATOM 867 CG TYR A 56 1.390 -7.456 -0.363 1.00 71.41 C ATOM 868 CD1 TYR A 56 1.960 -8.607 -0.905 1.00 11.34 C ATOM 869 CD2 TYR A 56 0.711 -7.571 0.847 1.00 70.11 C ATOM 870 CE1 TYR A 56 1.856 -9.824 -0.262 1.00 62.12 C ATOM 871 CE2 TYR A 56 0.602 -8.786 1.493 1.00 10.34 C ATOM 872 CZ TYR A 56 1.176 -9.909 0.936 1.00 2.21 C ATOM 873 OH TYR A 56 1.068 -11.124 1.579 1.00 61.12 O ATOM 0 H TYR A 56 2.516 -5.195 1.035 1.00 73.42 H new ATOM 0 HA TYR A 56 3.636 -6.181 -1.379 1.00 32.25 H new ATOM 0 HB2 TYR A 56 0.776 -5.426 -0.636 1.00 11.21 H new ATOM 0 HB3 TYR A 56 1.211 -6.250 -2.120 1.00 11.21 H new ATOM 0 HD1 TYR A 56 2.492 -8.545 -1.843 1.00 11.34 H new ATOM 0 HD2 TYR A 56 0.261 -6.694 1.288 1.00 70.11 H new ATOM 0 HE1 TYR A 56 2.305 -10.706 -0.695 1.00 62.12 H new ATOM 0 HE2 TYR A 56 0.070 -8.857 2.430 1.00 10.34 H new ATOM 0 HH TYR A 56 1.324 -11.020 2.519 1.00 61.12 H new ATOM 883 N LEU A 57 2.567 -3.044 -1.445 1.00 62.44 N ATOM 884 CA LEU A 57 2.564 -1.797 -2.244 1.00 32.21 C ATOM 885 C LEU A 57 4.001 -1.370 -2.624 1.00 0.31 C ATOM 886 O LEU A 57 4.228 -0.879 -3.734 1.00 10.43 O ATOM 887 CB LEU A 57 1.845 -0.656 -1.475 1.00 70.35 C ATOM 888 CG LEU A 57 0.955 0.284 -2.326 1.00 54.11 C ATOM 889 CD1 LEU A 57 0.006 1.090 -1.434 1.00 53.42 C ATOM 890 CD2 LEU A 57 1.803 1.222 -3.195 1.00 21.31 C ATOM 0 H LEU A 57 2.278 -2.917 -0.475 1.00 62.44 H new ATOM 0 HA LEU A 57 2.017 -1.995 -3.166 1.00 32.21 H new ATOM 0 HB2 LEU A 57 1.226 -1.103 -0.697 1.00 70.35 H new ATOM 0 HB3 LEU A 57 2.600 -0.052 -0.973 1.00 70.35 H new ATOM 0 HG LEU A 57 0.358 -0.340 -2.991 1.00 54.11 H new ATOM 0 HD11 LEU A 57 -0.609 1.743 -2.053 1.00 53.42 H new ATOM 0 HD12 LEU A 57 -0.636 0.408 -0.877 1.00 53.42 H new ATOM 0 HD13 LEU A 57 0.587 1.693 -0.736 1.00 53.42 H new ATOM 0 HD21 LEU A 57 1.148 1.868 -3.779 1.00 21.31 H new ATOM 0 HD22 LEU A 57 2.440 1.834 -2.556 1.00 21.31 H new ATOM 0 HD23 LEU A 57 2.425 0.632 -3.868 1.00 21.31 H new ATOM 902 N GLY A 58 4.965 -1.569 -1.695 1.00 14.24 N ATOM 903 CA GLY A 58 6.366 -1.209 -1.941 1.00 31.52 C ATOM 904 C GLY A 58 7.094 -2.146 -2.913 1.00 13.14 C ATOM 905 O GLY A 58 8.081 -1.735 -3.532 1.00 41.41 O ATOM 0 H GLY A 58 4.792 -1.975 -0.776 1.00 14.24 H new ATOM 0 HA2 GLY A 58 6.405 -0.193 -2.335 1.00 31.52 H new ATOM 0 HA3 GLY A 58 6.900 -1.203 -0.991 1.00 31.52 H new ATOM 909 N GLN A 59 6.607 -3.401 -3.057 1.00 72.01 N ATOM 910 CA GLN A 59 7.220 -4.394 -3.970 1.00 73.10 C ATOM 911 C GLN A 59 7.096 -3.966 -5.449 1.00 63.25 C ATOM 912 O GLN A 59 8.018 -4.201 -6.233 1.00 12.23 O ATOM 913 CB GLN A 59 6.584 -5.787 -3.768 1.00 12.31 C ATOM 914 CG GLN A 59 6.979 -6.475 -2.458 1.00 62.43 C ATOM 915 CD GLN A 59 8.325 -7.193 -2.534 1.00 71.34 C ATOM 916 OE1 GLN A 59 8.385 -8.370 -2.892 1.00 61.01 O ATOM 917 NE2 GLN A 59 9.413 -6.495 -2.199 1.00 40.23 N ATOM 0 H GLN A 59 5.792 -3.749 -2.553 1.00 72.01 H new ATOM 0 HA GLN A 59 8.280 -4.447 -3.724 1.00 73.10 H new ATOM 0 HB2 GLN A 59 5.499 -5.686 -3.799 1.00 12.31 H new ATOM 0 HB3 GLN A 59 6.869 -6.428 -4.602 1.00 12.31 H new ATOM 0 HG2 GLN A 59 7.016 -5.731 -1.662 1.00 62.43 H new ATOM 0 HG3 GLN A 59 6.206 -7.194 -2.186 1.00 62.43 H new ATOM 0 HE21 GLN A 59 9.325 -5.522 -1.907 1.00 40.23 H new ATOM 0 HE22 GLN A 59 10.332 -6.935 -2.235 1.00 40.23 H new ATOM 926 N TYR A 60 5.963 -3.323 -5.815 1.00 50.14 N ATOM 927 CA TYR A 60 5.730 -2.843 -7.200 1.00 50.43 C ATOM 928 C TYR A 60 6.678 -1.673 -7.548 1.00 60.45 C ATOM 929 O TYR A 60 7.182 -1.593 -8.669 1.00 34.14 O ATOM 930 CB TYR A 60 4.255 -2.410 -7.382 1.00 33.13 C ATOM 931 CG TYR A 60 3.776 -2.339 -8.834 1.00 14.12 C ATOM 932 CD1 TYR A 60 3.746 -3.477 -9.641 1.00 62.24 C ATOM 933 CD2 TYR A 60 3.338 -1.138 -9.390 1.00 14.43 C ATOM 934 CE1 TYR A 60 3.300 -3.417 -10.948 1.00 70.34 C ATOM 935 CE2 TYR A 60 2.887 -1.074 -10.695 1.00 51.34 C ATOM 936 CZ TYR A 60 2.869 -2.216 -11.470 1.00 63.32 C ATOM 937 OH TYR A 60 2.418 -2.155 -12.771 1.00 10.54 O ATOM 0 H TYR A 60 5.196 -3.124 -5.173 1.00 50.14 H new ATOM 0 HA TYR A 60 5.941 -3.667 -7.882 1.00 50.43 H new ATOM 0 HB2 TYR A 60 3.618 -3.108 -6.839 1.00 33.13 H new ATOM 0 HB3 TYR A 60 4.120 -1.431 -6.922 1.00 33.13 H new ATOM 0 HD1 TYR A 60 4.077 -4.422 -9.237 1.00 62.24 H new ATOM 0 HD2 TYR A 60 3.351 -0.240 -8.790 1.00 14.43 H new ATOM 0 HE1 TYR A 60 3.289 -4.308 -11.558 1.00 70.34 H new ATOM 0 HE2 TYR A 60 2.550 -0.134 -11.107 1.00 51.34 H new ATOM 0 HH TYR A 60 2.641 -1.281 -13.154 1.00 10.54 H new ATOM 947 N ILE A 61 6.919 -0.785 -6.562 1.00 74.44 N ATOM 948 CA ILE A 61 7.814 0.382 -6.719 1.00 70.13 C ATOM 949 C ILE A 61 9.304 -0.058 -6.775 1.00 61.22 C ATOM 950 O ILE A 61 10.132 0.649 -7.360 1.00 52.13 O ATOM 951 CB ILE A 61 7.580 1.409 -5.546 1.00 4.24 C ATOM 952 CG1 ILE A 61 6.108 1.904 -5.545 1.00 0.55 C ATOM 953 CG2 ILE A 61 8.545 2.609 -5.605 1.00 71.53 C ATOM 954 CD1 ILE A 61 5.648 2.491 -4.224 1.00 53.32 C ATOM 0 H ILE A 61 6.500 -0.856 -5.635 1.00 74.44 H new ATOM 0 HA ILE A 61 7.576 0.870 -7.664 1.00 70.13 H new ATOM 0 HB ILE A 61 7.786 0.879 -4.616 1.00 4.24 H new ATOM 0 HG12 ILE A 61 5.989 2.657 -6.325 1.00 0.55 H new ATOM 0 HG13 ILE A 61 5.456 1.070 -5.805 1.00 0.55 H new ATOM 0 HG21 ILE A 61 8.338 3.283 -4.774 1.00 71.53 H new ATOM 0 HG22 ILE A 61 9.573 2.253 -5.537 1.00 71.53 H new ATOM 0 HG23 ILE A 61 8.407 3.141 -6.546 1.00 71.53 H new ATOM 0 HD11 ILE A 61 4.610 2.812 -4.310 1.00 53.32 H new ATOM 0 HD12 ILE A 61 5.731 1.736 -3.442 1.00 53.32 H new ATOM 0 HD13 ILE A 61 6.272 3.347 -3.969 1.00 53.32 H new ATOM 966 N MET A 62 9.632 -1.218 -6.161 1.00 34.21 N ATOM 967 CA MET A 62 11.012 -1.744 -6.130 1.00 22.41 C ATOM 968 C MET A 62 11.350 -2.605 -7.371 1.00 33.14 C ATOM 969 O MET A 62 12.448 -2.475 -7.922 1.00 70.32 O ATOM 970 CB MET A 62 11.226 -2.558 -4.828 1.00 54.30 C ATOM 971 CG MET A 62 12.633 -3.159 -4.649 1.00 11.32 C ATOM 972 SD MET A 62 12.694 -4.950 -4.917 1.00 15.43 S ATOM 973 CE MET A 62 14.438 -5.196 -5.251 1.00 42.12 C ATOM 0 H MET A 62 8.954 -1.808 -5.679 1.00 34.21 H new ATOM 0 HA MET A 62 11.691 -0.892 -6.150 1.00 22.41 H new ATOM 0 HB2 MET A 62 11.014 -1.911 -3.976 1.00 54.30 H new ATOM 0 HB3 MET A 62 10.497 -3.368 -4.802 1.00 54.30 H new ATOM 0 HG2 MET A 62 13.318 -2.672 -5.343 1.00 11.32 H new ATOM 0 HG3 MET A 62 12.988 -2.938 -3.643 1.00 11.32 H new ATOM 0 HE1 MET A 62 14.628 -6.253 -5.436 1.00 42.12 H new ATOM 0 HE2 MET A 62 14.726 -4.617 -6.129 1.00 42.12 H new ATOM 0 HE3 MET A 62 15.023 -4.867 -4.392 1.00 42.12 H new ATOM 983 N THR A 63 10.430 -3.503 -7.784 1.00 32.40 N ATOM 984 CA THR A 63 10.668 -4.407 -8.937 1.00 43.43 C ATOM 985 C THR A 63 10.557 -3.700 -10.310 1.00 73.14 C ATOM 986 O THR A 63 11.333 -4.007 -11.220 1.00 23.11 O ATOM 987 CB THR A 63 9.727 -5.638 -8.870 1.00 41.44 C ATOM 988 OG1 THR A 63 10.151 -6.644 -9.778 1.00 40.44 O ATOM 989 CG2 THR A 63 8.261 -5.345 -9.169 1.00 55.31 C ATOM 0 H THR A 63 9.519 -3.623 -7.341 1.00 32.40 H new ATOM 0 HA THR A 63 11.702 -4.742 -8.855 1.00 43.43 H new ATOM 0 HB THR A 63 9.793 -5.966 -7.832 1.00 41.44 H new ATOM 0 HG1 THR A 63 9.546 -7.413 -9.720 1.00 40.44 H new ATOM 0 HG21 THR A 63 7.684 -6.267 -9.098 1.00 55.31 H new ATOM 0 HG22 THR A 63 7.880 -4.622 -8.448 1.00 55.31 H new ATOM 0 HG23 THR A 63 8.169 -4.937 -10.176 1.00 55.31 H new ATOM 997 N LYS A 64 9.590 -2.768 -10.457 1.00 40.34 N ATOM 998 CA LYS A 64 9.383 -2.037 -11.731 1.00 64.44 C ATOM 999 C LYS A 64 10.324 -0.816 -11.887 1.00 74.12 C ATOM 1000 O LYS A 64 10.354 -0.210 -12.964 1.00 13.31 O ATOM 1001 CB LYS A 64 7.913 -1.580 -11.859 1.00 70.51 C ATOM 1002 CG LYS A 64 6.900 -2.719 -12.050 1.00 23.22 C ATOM 1003 CD LYS A 64 6.793 -3.189 -13.509 1.00 2.31 C ATOM 1004 CE LYS A 64 5.888 -2.284 -14.347 1.00 0.32 C ATOM 1005 NZ LYS A 64 5.782 -2.741 -15.765 1.00 3.53 N1+ ATOM 0 H LYS A 64 8.942 -2.504 -9.715 1.00 40.34 H new ATOM 0 HA LYS A 64 9.625 -2.737 -12.531 1.00 64.44 H new ATOM 0 HB2 LYS A 64 7.643 -1.018 -10.965 1.00 70.51 H new ATOM 0 HB3 LYS A 64 7.832 -0.895 -12.703 1.00 70.51 H new ATOM 0 HG2 LYS A 64 7.188 -3.563 -11.423 1.00 23.22 H new ATOM 0 HG3 LYS A 64 5.920 -2.387 -11.708 1.00 23.22 H new ATOM 0 HD2 LYS A 64 7.788 -3.216 -13.953 1.00 2.31 H new ATOM 0 HD3 LYS A 64 6.406 -4.208 -13.533 1.00 2.31 H new ATOM 0 HE2 LYS A 64 4.894 -2.256 -13.902 1.00 0.32 H new ATOM 0 HE3 LYS A 64 6.276 -1.266 -14.324 1.00 0.32 H new ATOM 0 HZ1 LYS A 64 5.159 -2.096 -16.292 1.00 3.53 H new ATOM 0 HZ2 LYS A 64 6.726 -2.743 -16.201 1.00 3.53 H new ATOM 0 HZ3 LYS A 64 5.387 -3.703 -15.791 1.00 3.53 H new ATOM 1019 N ARG A 65 11.087 -0.454 -10.821 1.00 54.33 N ATOM 1020 CA ARG A 65 12.025 0.694 -10.842 1.00 15.45 C ATOM 1021 C ARG A 65 11.277 2.029 -11.048 1.00 10.24 C ATOM 1022 O ARG A 65 11.284 2.601 -12.146 1.00 42.02 O ATOM 1023 CB ARG A 65 13.130 0.509 -11.912 1.00 65.32 C ATOM 1024 CG ARG A 65 14.003 -0.733 -11.711 1.00 2.20 C ATOM 1025 CD ARG A 65 14.897 -1.003 -12.919 1.00 25.31 C ATOM 1026 NE ARG A 65 15.778 -2.169 -12.724 1.00 63.11 N ATOM 1027 CZ ARG A 65 16.530 -2.738 -13.689 1.00 1.01 C ATOM 1028 NH1 ARG A 65 16.532 -2.268 -14.946 1.00 11.24 N1+ ATOM 1029 NH2 ARG A 65 17.290 -3.793 -13.390 1.00 61.00 N ATOM 0 H ARG A 65 11.067 -0.949 -9.929 1.00 54.33 H new ATOM 0 HA ARG A 65 12.511 0.729 -9.867 1.00 15.45 H new ATOM 0 HB2 ARG A 65 12.662 0.454 -12.895 1.00 65.32 H new ATOM 0 HB3 ARG A 65 13.770 1.392 -11.913 1.00 65.32 H new ATOM 0 HG2 ARG A 65 14.622 -0.602 -10.824 1.00 2.20 H new ATOM 0 HG3 ARG A 65 13.366 -1.599 -11.530 1.00 2.20 H new ATOM 0 HD2 ARG A 65 14.274 -1.166 -13.798 1.00 25.31 H new ATOM 0 HD3 ARG A 65 15.506 -0.122 -13.120 1.00 25.31 H new ATOM 0 HE ARG A 65 15.822 -2.576 -11.790 1.00 63.11 H new ATOM 0 HH11 ARG A 65 15.956 -1.462 -15.190 1.00 11.24 H new ATOM 0 HH12 ARG A 65 17.110 -2.716 -15.657 1.00 11.24 H new ATOM 0 HH21 ARG A 65 17.299 -4.162 -12.439 1.00 61.00 H new ATOM 0 HH22 ARG A 65 17.862 -4.230 -14.112 1.00 61.00 H new ATOM 1043 N LEU A 66 10.629 2.510 -9.973 1.00 64.14 N ATOM 1044 CA LEU A 66 9.864 3.772 -9.995 1.00 74.45 C ATOM 1045 C LEU A 66 10.651 4.901 -9.298 1.00 34.43 C ATOM 1046 O LEU A 66 10.675 6.030 -9.796 1.00 44.44 O ATOM 1047 CB LEU A 66 8.478 3.563 -9.326 1.00 72.31 C ATOM 1048 CG LEU A 66 7.323 3.067 -10.239 1.00 13.01 C ATOM 1049 CD1 LEU A 66 6.853 4.165 -11.196 1.00 22.01 C ATOM 1050 CD2 LEU A 66 7.716 1.802 -11.013 1.00 24.55 C ATOM 0 H LEU A 66 10.620 2.039 -9.068 1.00 64.14 H new ATOM 0 HA LEU A 66 9.707 4.070 -11.032 1.00 74.45 H new ATOM 0 HB2 LEU A 66 8.599 2.847 -8.513 1.00 72.31 H new ATOM 0 HB3 LEU A 66 8.173 4.508 -8.876 1.00 72.31 H new ATOM 0 HG LEU A 66 6.489 2.811 -9.586 1.00 13.01 H new ATOM 0 HD11 LEU A 66 6.045 3.783 -11.819 1.00 22.01 H new ATOM 0 HD12 LEU A 66 6.495 5.020 -10.622 1.00 22.01 H new ATOM 0 HD13 LEU A 66 7.684 4.476 -11.830 1.00 22.01 H new ATOM 0 HD21 LEU A 66 6.883 1.486 -11.640 1.00 24.55 H new ATOM 0 HD22 LEU A 66 8.582 2.013 -11.640 1.00 24.55 H new ATOM 0 HD23 LEU A 66 7.963 1.007 -10.309 1.00 24.55 H new ATOM 1062 N TYR A 67 11.308 4.585 -8.154 1.00 50.42 N ATOM 1063 CA TYR A 67 12.110 5.570 -7.403 1.00 75.13 C ATOM 1064 C TYR A 67 13.603 5.463 -7.808 1.00 21.10 C ATOM 1065 O TYR A 67 14.416 4.844 -7.116 1.00 65.53 O ATOM 1066 CB TYR A 67 11.868 5.433 -5.862 1.00 60.50 C ATOM 1067 CG TYR A 67 12.616 4.308 -5.127 1.00 51.12 C ATOM 1068 CD1 TYR A 67 12.307 2.964 -5.338 1.00 44.55 C ATOM 1069 CD2 TYR A 67 13.630 4.603 -4.212 1.00 61.42 C ATOM 1070 CE1 TYR A 67 12.982 1.961 -4.669 1.00 52.52 C ATOM 1071 CE2 TYR A 67 14.307 3.602 -3.543 1.00 40.55 C ATOM 1072 CZ TYR A 67 13.979 2.283 -3.774 1.00 11.30 C ATOM 1073 OH TYR A 67 14.652 1.286 -3.107 1.00 31.24 O ATOM 0 H TYR A 67 11.295 3.655 -7.736 1.00 50.42 H new ATOM 0 HA TYR A 67 11.786 6.577 -7.665 1.00 75.13 H new ATOM 0 HB2 TYR A 67 12.137 6.379 -5.393 1.00 60.50 H new ATOM 0 HB3 TYR A 67 10.800 5.290 -5.700 1.00 60.50 H new ATOM 0 HD1 TYR A 67 11.526 2.703 -6.037 1.00 44.55 H new ATOM 0 HD2 TYR A 67 13.890 5.634 -4.024 1.00 61.42 H new ATOM 0 HE1 TYR A 67 12.729 0.926 -4.847 1.00 52.52 H new ATOM 0 HE2 TYR A 67 15.090 3.851 -2.842 1.00 40.55 H new ATOM 0 HH TYR A 67 15.324 1.684 -2.515 1.00 31.24 H new ATOM 1184 N ILE A 74 13.022 11.833 -4.068 1.00 24.35 N ATOM 1185 CA ILE A 74 11.733 11.911 -4.786 1.00 41.43 C ATOM 1186 C ILE A 74 11.513 10.700 -5.721 1.00 10.20 C ATOM 1187 O ILE A 74 12.473 10.143 -6.263 1.00 31.01 O ATOM 1188 CB ILE A 74 11.631 13.264 -5.581 1.00 13.22 C ATOM 1189 CG1 ILE A 74 10.180 13.524 -6.067 1.00 44.14 C ATOM 1190 CG2 ILE A 74 12.631 13.323 -6.751 1.00 34.32 C ATOM 1191 CD1 ILE A 74 9.889 14.973 -6.420 1.00 23.30 C ATOM 0 HA ILE A 74 10.939 11.882 -4.040 1.00 41.43 H new ATOM 0 HB ILE A 74 11.900 14.062 -4.889 1.00 13.22 H new ATOM 0 HG12 ILE A 74 9.985 12.903 -6.942 1.00 44.14 H new ATOM 0 HG13 ILE A 74 9.486 13.205 -5.289 1.00 44.14 H new ATOM 0 HG21 ILE A 74 12.526 14.275 -7.272 1.00 34.32 H new ATOM 0 HG22 ILE A 74 13.647 13.230 -6.367 1.00 34.32 H new ATOM 0 HG23 ILE A 74 12.429 12.506 -7.444 1.00 34.32 H new ATOM 0 HD11 ILE A 74 8.854 15.066 -6.750 1.00 23.30 H new ATOM 0 HD12 ILE A 74 10.048 15.600 -5.543 1.00 23.30 H new ATOM 0 HD13 ILE A 74 10.555 15.293 -7.221 1.00 23.30 H new ATOM 1203 N VAL A 75 10.230 10.317 -5.904 1.00 70.03 N ATOM 1204 CA VAL A 75 9.838 9.187 -6.772 1.00 14.32 C ATOM 1205 C VAL A 75 8.948 9.682 -7.936 1.00 50.01 C ATOM 1206 O VAL A 75 8.090 10.550 -7.737 1.00 11.54 O ATOM 1207 CB VAL A 75 9.113 8.057 -5.952 1.00 52.30 C ATOM 1208 CG1 VAL A 75 7.887 8.577 -5.191 1.00 23.23 C ATOM 1209 CG2 VAL A 75 8.732 6.861 -6.837 1.00 41.41 C ATOM 0 H VAL A 75 9.440 10.781 -5.455 1.00 70.03 H new ATOM 0 HA VAL A 75 10.747 8.755 -7.192 1.00 14.32 H new ATOM 0 HB VAL A 75 9.835 7.714 -5.211 1.00 52.30 H new ATOM 0 HG11 VAL A 75 7.424 7.757 -4.642 1.00 23.23 H new ATOM 0 HG12 VAL A 75 8.196 9.353 -4.491 1.00 23.23 H new ATOM 0 HG13 VAL A 75 7.168 8.991 -5.898 1.00 23.23 H new ATOM 0 HG21 VAL A 75 8.234 6.104 -6.231 1.00 41.41 H new ATOM 0 HG22 VAL A 75 8.059 7.193 -7.628 1.00 41.41 H new ATOM 0 HG23 VAL A 75 9.632 6.436 -7.281 1.00 41.41 H new ATOM 1219 N TYR A 76 9.167 9.123 -9.145 1.00 73.42 N ATOM 1220 CA TYR A 76 8.397 9.499 -10.350 1.00 40.45 C ATOM 1221 C TYR A 76 7.449 8.364 -10.776 1.00 33.30 C ATOM 1222 O TYR A 76 7.732 7.188 -10.527 1.00 70.42 O ATOM 1223 CB TYR A 76 9.349 9.852 -11.511 1.00 14.01 C ATOM 1224 CG TYR A 76 10.253 11.051 -11.232 1.00 41.52 C ATOM 1225 CD1 TYR A 76 9.829 12.352 -11.508 1.00 12.55 C ATOM 1226 CD2 TYR A 76 11.528 10.882 -10.692 1.00 51.04 C ATOM 1227 CE1 TYR A 76 10.645 13.437 -11.255 1.00 50.51 C ATOM 1228 CE2 TYR A 76 12.346 11.966 -10.436 1.00 11.50 C ATOM 1229 CZ TYR A 76 11.901 13.240 -10.719 1.00 43.41 C ATOM 1230 OH TYR A 76 12.715 14.322 -10.465 1.00 54.35 O ATOM 0 H TYR A 76 9.874 8.407 -9.313 1.00 73.42 H new ATOM 0 HA TYR A 76 7.797 10.375 -10.104 1.00 40.45 H new ATOM 0 HB2 TYR A 76 9.971 8.985 -11.733 1.00 14.01 H new ATOM 0 HB3 TYR A 76 8.757 10.056 -12.403 1.00 14.01 H new ATOM 0 HD1 TYR A 76 8.846 12.513 -11.926 1.00 12.55 H new ATOM 0 HD2 TYR A 76 11.882 9.886 -10.470 1.00 51.04 H new ATOM 0 HE1 TYR A 76 10.301 14.437 -11.476 1.00 50.51 H new ATOM 0 HE2 TYR A 76 13.330 11.816 -10.016 1.00 11.50 H new ATOM 0 HH TYR A 76 13.564 14.011 -10.088 1.00 54.35 H new ATOM 1240 N CYS A 77 6.322 8.734 -11.424 1.00 10.50 N ATOM 1241 CA CYS A 77 5.311 7.765 -11.899 1.00 53.10 C ATOM 1242 C CYS A 77 4.958 8.028 -13.374 1.00 2.33 C ATOM 1243 O CYS A 77 4.657 9.168 -13.745 1.00 72.03 O ATOM 1244 CB CYS A 77 4.036 7.849 -11.039 1.00 65.32 C ATOM 1245 SG CYS A 77 4.263 7.397 -9.298 1.00 10.41 S ATOM 0 H CYS A 77 6.089 9.705 -11.631 1.00 10.50 H new ATOM 0 HA CYS A 77 5.735 6.765 -11.810 1.00 53.10 H new ATOM 0 HB2 CYS A 77 3.648 8.866 -11.088 1.00 65.32 H new ATOM 0 HB3 CYS A 77 3.278 7.197 -11.473 1.00 65.32 H new ATOM 0 HG CYS A 77 3.193 7.705 -8.627 1.00 10.41 H new ATOM 1251 N SER A 78 4.998 6.966 -14.210 1.00 43.23 N ATOM 1252 CA SER A 78 4.686 7.079 -15.651 1.00 63.04 C ATOM 1253 C SER A 78 4.129 5.758 -16.214 1.00 15.51 C ATOM 1254 O SER A 78 4.741 4.700 -16.040 1.00 72.44 O ATOM 1255 CB SER A 78 5.942 7.489 -16.437 1.00 34.34 C ATOM 1256 OG SER A 78 6.399 8.772 -16.040 1.00 64.43 O ATOM 0 H SER A 78 5.243 6.022 -13.911 1.00 43.23 H new ATOM 0 HA SER A 78 3.920 7.846 -15.763 1.00 63.04 H new ATOM 0 HB2 SER A 78 6.731 6.754 -16.277 1.00 34.34 H new ATOM 0 HB3 SER A 78 5.721 7.493 -17.504 1.00 34.34 H new ATOM 0 HG SER A 78 7.199 9.008 -16.554 1.00 64.43 H new ATOM 1262 N ASN A 79 2.964 5.834 -16.905 1.00 23.35 N ATOM 1263 CA ASN A 79 2.292 4.662 -17.528 1.00 32.14 C ATOM 1264 C ASN A 79 1.998 3.538 -16.504 1.00 71.01 C ATOM 1265 O ASN A 79 2.301 2.361 -16.748 1.00 3.02 O ATOM 1266 CB ASN A 79 3.120 4.122 -18.720 1.00 63.21 C ATOM 1267 CG ASN A 79 3.268 5.135 -19.857 1.00 61.24 C ATOM 1268 OD1 ASN A 79 2.289 5.752 -20.281 1.00 5.30 O ATOM 1269 ND2 ASN A 79 4.492 5.313 -20.360 1.00 23.41 N ATOM 0 H ASN A 79 2.462 6.710 -17.047 1.00 23.35 H new ATOM 0 HA ASN A 79 1.329 5.009 -17.903 1.00 32.14 H new ATOM 0 HB2 ASN A 79 4.110 3.835 -18.366 1.00 63.21 H new ATOM 0 HB3 ASN A 79 2.645 3.220 -19.105 1.00 63.21 H new ATOM 0 HD21 ASN A 79 4.639 5.977 -21.120 1.00 23.41 H new ATOM 0 HD22 ASN A 79 5.280 4.785 -19.984 1.00 23.41 H new ATOM 1276 N ASP A 80 1.402 3.918 -15.358 1.00 54.42 N ATOM 1277 CA ASP A 80 1.053 2.966 -14.283 1.00 33.43 C ATOM 1278 C ASP A 80 -0.200 3.438 -13.521 1.00 15.32 C ATOM 1279 O ASP A 80 -0.648 4.576 -13.701 1.00 74.51 O ATOM 1280 CB ASP A 80 2.238 2.806 -13.301 1.00 63.22 C ATOM 1281 CG ASP A 80 3.357 1.932 -13.849 1.00 4.34 C ATOM 1282 OD1 ASP A 80 3.245 0.691 -13.749 1.00 60.21 O ATOM 1283 OD2 ASP A 80 4.343 2.489 -14.375 1.00 75.32 O1- ATOM 0 H ASP A 80 1.150 4.884 -15.151 1.00 54.42 H new ATOM 0 HA ASP A 80 0.838 2.001 -14.741 1.00 33.43 H new ATOM 0 HB2 ASP A 80 2.639 3.791 -13.062 1.00 63.22 H new ATOM 0 HB3 ASP A 80 1.873 2.376 -12.368 1.00 63.22 H new ATOM 1288 N LEU A 81 -0.744 2.561 -12.647 1.00 21.11 N ATOM 1289 CA LEU A 81 -1.934 2.895 -11.830 1.00 41.43 C ATOM 1290 C LEU A 81 -1.542 3.396 -10.414 1.00 53.02 C ATOM 1291 O LEU A 81 -2.375 3.389 -9.501 1.00 51.25 O ATOM 1292 CB LEU A 81 -2.952 1.707 -11.746 1.00 21.52 C ATOM 1293 CG LEU A 81 -2.442 0.254 -11.468 1.00 65.23 C ATOM 1294 CD1 LEU A 81 -2.022 -0.461 -12.758 1.00 43.11 C ATOM 1295 CD2 LEU A 81 -1.326 0.200 -10.417 1.00 25.22 C ATOM 0 H LEU A 81 -0.380 1.621 -12.489 1.00 21.11 H new ATOM 0 HA LEU A 81 -2.437 3.714 -12.344 1.00 41.43 H new ATOM 0 HB2 LEU A 81 -3.672 1.952 -10.965 1.00 21.52 H new ATOM 0 HB3 LEU A 81 -3.500 1.683 -12.688 1.00 21.52 H new ATOM 0 HG LEU A 81 -3.292 -0.284 -11.048 1.00 65.23 H new ATOM 0 HD11 LEU A 81 -1.674 -1.466 -12.520 1.00 43.11 H new ATOM 0 HD12 LEU A 81 -2.875 -0.522 -13.434 1.00 43.11 H new ATOM 0 HD13 LEU A 81 -1.218 0.097 -13.238 1.00 43.11 H new ATOM 0 HD21 LEU A 81 -1.015 -0.834 -10.269 1.00 25.22 H new ATOM 0 HD22 LEU A 81 -0.475 0.789 -10.759 1.00 25.22 H new ATOM 0 HD23 LEU A 81 -1.693 0.607 -9.475 1.00 25.22 H new ATOM 1307 N LEU A 82 -0.281 3.858 -10.244 1.00 0.21 N ATOM 1308 CA LEU A 82 0.210 4.384 -8.952 1.00 54.30 C ATOM 1309 C LEU A 82 -0.392 5.780 -8.663 1.00 51.11 C ATOM 1310 O LEU A 82 -0.712 6.093 -7.514 1.00 30.53 O ATOM 1311 CB LEU A 82 1.765 4.439 -8.961 1.00 11.34 C ATOM 1312 CG LEU A 82 2.508 4.279 -7.604 1.00 15.43 C ATOM 1313 CD1 LEU A 82 2.160 5.399 -6.620 1.00 53.30 C ATOM 1314 CD2 LEU A 82 2.252 2.901 -6.980 1.00 4.14 C ATOM 0 H LEU A 82 0.415 3.876 -10.989 1.00 0.21 H new ATOM 0 HA LEU A 82 -0.111 3.714 -8.154 1.00 54.30 H new ATOM 0 HB2 LEU A 82 2.123 3.658 -9.632 1.00 11.34 H new ATOM 0 HB3 LEU A 82 2.063 5.394 -9.395 1.00 11.34 H new ATOM 0 HG LEU A 82 3.573 4.357 -7.820 1.00 15.43 H new ATOM 0 HD11 LEU A 82 2.702 5.245 -5.687 1.00 53.30 H new ATOM 0 HD12 LEU A 82 2.441 6.361 -7.049 1.00 53.30 H new ATOM 0 HD13 LEU A 82 1.088 5.390 -6.422 1.00 53.30 H new ATOM 0 HD21 LEU A 82 2.787 2.825 -6.033 1.00 4.14 H new ATOM 0 HD22 LEU A 82 1.184 2.774 -6.804 1.00 4.14 H new ATOM 0 HD23 LEU A 82 2.603 2.123 -7.658 1.00 4.14 H new ATOM 1326 N GLY A 83 -0.553 6.606 -9.722 1.00 61.21 N ATOM 1327 CA GLY A 83 -1.121 7.951 -9.576 1.00 73.12 C ATOM 1328 C GLY A 83 -2.659 8.005 -9.589 1.00 34.24 C ATOM 1329 O GLY A 83 -3.222 9.103 -9.587 1.00 23.41 O ATOM 0 H GLY A 83 -0.297 6.360 -10.678 1.00 61.21 H new ATOM 0 HA2 GLY A 83 -0.764 8.382 -8.641 1.00 73.12 H new ATOM 0 HA3 GLY A 83 -0.742 8.580 -10.382 1.00 73.12 H new ATOM 1333 N ASP A 84 -3.343 6.836 -9.592 1.00 52.34 N ATOM 1334 CA ASP A 84 -4.821 6.779 -9.593 1.00 11.04 C ATOM 1335 C ASP A 84 -5.388 6.740 -8.155 1.00 50.32 C ATOM 1336 O ASP A 84 -6.478 7.265 -7.907 1.00 1.23 O ATOM 1337 CB ASP A 84 -5.309 5.554 -10.398 1.00 73.11 C ATOM 1338 CG ASP A 84 -6.764 5.664 -10.834 1.00 54.20 C ATOM 1339 OD1 ASP A 84 -7.650 5.239 -10.061 1.00 23.23 O ATOM 1340 OD2 ASP A 84 -7.015 6.177 -11.946 1.00 23.31 O1- ATOM 0 H ASP A 84 -2.893 5.921 -9.594 1.00 52.34 H new ATOM 0 HA ASP A 84 -5.190 7.687 -10.070 1.00 11.04 H new ATOM 0 HB2 ASP A 84 -4.680 5.433 -11.280 1.00 73.11 H new ATOM 0 HB3 ASP A 84 -5.185 4.656 -9.792 1.00 73.11 H new ATOM 1345 N LEU A 85 -4.639 6.121 -7.213 1.00 43.01 N ATOM 1346 CA LEU A 85 -5.069 6.021 -5.795 1.00 42.34 C ATOM 1347 C LEU A 85 -4.750 7.314 -5.018 1.00 71.14 C ATOM 1348 O LEU A 85 -5.598 7.801 -4.264 1.00 73.31 O ATOM 1349 CB LEU A 85 -4.458 4.786 -5.048 1.00 54.24 C ATOM 1350 CG LEU A 85 -3.177 4.131 -5.644 1.00 4.51 C ATOM 1351 CD1 LEU A 85 -2.306 3.507 -4.547 1.00 22.33 C ATOM 1352 CD2 LEU A 85 -3.540 3.077 -6.696 1.00 33.54 C ATOM 0 H LEU A 85 -3.738 5.684 -7.406 1.00 43.01 H new ATOM 0 HA LEU A 85 -6.149 5.877 -5.826 1.00 42.34 H new ATOM 0 HB2 LEU A 85 -4.232 5.092 -4.026 1.00 54.24 H new ATOM 0 HB3 LEU A 85 -5.229 4.018 -4.988 1.00 54.24 H new ATOM 0 HG LEU A 85 -2.601 4.921 -6.127 1.00 4.51 H new ATOM 0 HD11 LEU A 85 -1.420 3.059 -4.997 1.00 22.33 H new ATOM 0 HD12 LEU A 85 -2.003 4.279 -3.840 1.00 22.33 H new ATOM 0 HD13 LEU A 85 -2.875 2.739 -4.023 1.00 22.33 H new ATOM 0 HD21 LEU A 85 -2.628 2.634 -7.097 1.00 33.54 H new ATOM 0 HD22 LEU A 85 -4.149 2.299 -6.236 1.00 33.54 H new ATOM 0 HD23 LEU A 85 -4.101 3.547 -7.504 1.00 33.54 H new ATOM 1364 N PHE A 86 -3.530 7.859 -5.201 1.00 32.51 N ATOM 1365 CA PHE A 86 -3.108 9.095 -4.509 1.00 32.22 C ATOM 1366 C PHE A 86 -3.553 10.350 -5.282 1.00 40.14 C ATOM 1367 O PHE A 86 -4.124 11.268 -4.689 1.00 14.15 O ATOM 1368 CB PHE A 86 -1.573 9.116 -4.291 1.00 13.34 C ATOM 1369 CG PHE A 86 -0.996 7.881 -3.609 1.00 53.15 C ATOM 1370 CD1 PHE A 86 -1.647 7.269 -2.538 1.00 73.21 C ATOM 1371 CD2 PHE A 86 0.209 7.335 -4.043 1.00 40.00 C ATOM 1372 CE1 PHE A 86 -1.111 6.154 -1.926 1.00 44.45 C ATOM 1373 CE2 PHE A 86 0.744 6.220 -3.430 1.00 31.05 C ATOM 1374 CZ PHE A 86 0.085 5.629 -2.372 1.00 25.53 C ATOM 0 H PHE A 86 -2.822 7.465 -5.820 1.00 32.51 H new ATOM 0 HA PHE A 86 -3.596 9.104 -3.534 1.00 32.22 H new ATOM 0 HB2 PHE A 86 -1.087 9.237 -5.259 1.00 13.34 H new ATOM 0 HB3 PHE A 86 -1.319 9.992 -3.695 1.00 13.34 H new ATOM 0 HD1 PHE A 86 -2.583 7.673 -2.183 1.00 73.21 H new ATOM 0 HD2 PHE A 86 0.732 7.790 -4.871 1.00 40.00 H new ATOM 0 HE1 PHE A 86 -1.628 5.692 -1.098 1.00 44.45 H new ATOM 0 HE2 PHE A 86 1.680 5.810 -3.779 1.00 31.05 H new ATOM 0 HZ PHE A 86 0.504 4.757 -1.893 1.00 25.53 H new ATOM 1384 N GLY A 87 -3.291 10.382 -6.605 1.00 1.25 N ATOM 1385 CA GLY A 87 -3.673 11.528 -7.440 1.00 33.22 C ATOM 1386 C GLY A 87 -2.578 12.587 -7.539 1.00 63.43 C ATOM 1387 O GLY A 87 -2.863 13.783 -7.424 1.00 23.33 O ATOM 0 H GLY A 87 -2.820 9.631 -7.110 1.00 1.25 H new ATOM 0 HA2 GLY A 87 -3.920 11.174 -8.441 1.00 33.22 H new ATOM 0 HA3 GLY A 87 -4.575 11.983 -7.031 1.00 33.22 H new ATOM 1391 N VAL A 88 -1.324 12.144 -7.757 1.00 53.54 N ATOM 1392 CA VAL A 88 -0.168 13.053 -7.878 1.00 20.51 C ATOM 1393 C VAL A 88 1.000 12.350 -8.632 1.00 44.13 C ATOM 1394 O VAL A 88 1.361 11.219 -8.281 1.00 45.55 O ATOM 1395 CB VAL A 88 0.295 13.593 -6.473 1.00 55.42 C ATOM 1396 CG1 VAL A 88 0.744 12.473 -5.526 1.00 31.20 C ATOM 1397 CG2 VAL A 88 1.379 14.671 -6.606 1.00 31.21 C ATOM 0 H VAL A 88 -1.086 11.157 -7.853 1.00 53.54 H new ATOM 0 HA VAL A 88 -0.479 13.918 -8.463 1.00 20.51 H new ATOM 0 HB VAL A 88 -0.584 14.055 -6.023 1.00 55.42 H new ATOM 0 HG11 VAL A 88 1.052 12.904 -4.573 1.00 31.20 H new ATOM 0 HG12 VAL A 88 -0.083 11.782 -5.361 1.00 31.20 H new ATOM 0 HG13 VAL A 88 1.583 11.936 -5.969 1.00 31.20 H new ATOM 0 HG21 VAL A 88 1.671 15.017 -5.615 1.00 31.21 H new ATOM 0 HG22 VAL A 88 2.248 14.253 -7.115 1.00 31.21 H new ATOM 0 HG23 VAL A 88 0.989 15.510 -7.183 1.00 31.21 H new ATOM 1407 N PRO A 89 1.595 12.989 -9.695 1.00 55.33 N ATOM 1408 CA PRO A 89 2.697 12.378 -10.477 1.00 73.11 C ATOM 1409 C PRO A 89 4.027 12.259 -9.699 1.00 34.34 C ATOM 1410 O PRO A 89 4.711 11.234 -9.811 1.00 31.25 O ATOM 1411 CB PRO A 89 2.845 13.321 -11.687 1.00 74.52 C ATOM 1412 CG PRO A 89 2.329 14.635 -11.216 1.00 34.54 C ATOM 1413 CD PRO A 89 1.232 14.330 -10.234 1.00 42.34 C ATOM 0 HA PRO A 89 2.465 11.347 -10.744 1.00 73.11 H new ATOM 0 HB2 PRO A 89 3.885 13.396 -12.004 1.00 74.52 H new ATOM 0 HB3 PRO A 89 2.276 12.957 -12.543 1.00 74.52 H new ATOM 0 HG2 PRO A 89 3.121 15.218 -10.746 1.00 34.54 H new ATOM 0 HG3 PRO A 89 1.951 15.226 -12.050 1.00 34.54 H new ATOM 0 HD2 PRO A 89 1.184 15.079 -9.443 1.00 42.34 H new ATOM 0 HD3 PRO A 89 0.255 14.315 -10.718 1.00 42.34 H new ATOM 1421 N SER A 90 4.393 13.307 -8.925 1.00 22.34 N ATOM 1422 CA SER A 90 5.645 13.314 -8.143 1.00 12.03 C ATOM 1423 C SER A 90 5.391 13.657 -6.665 1.00 54.04 C ATOM 1424 O SER A 90 4.727 14.654 -6.357 1.00 45.11 O ATOM 1425 CB SER A 90 6.650 14.305 -8.754 1.00 0.54 C ATOM 1426 OG SER A 90 6.146 15.633 -8.755 1.00 54.54 O ATOM 0 H SER A 90 3.837 14.157 -8.827 1.00 22.34 H new ATOM 0 HA SER A 90 6.064 12.309 -8.182 1.00 12.03 H new ATOM 0 HB2 SER A 90 7.583 14.270 -8.191 1.00 0.54 H new ATOM 0 HB3 SER A 90 6.883 14.004 -9.775 1.00 0.54 H new ATOM 0 HG SER A 90 5.510 15.742 -8.018 1.00 54.54 H new ATOM 1432 N PHE A 91 5.934 12.820 -5.756 1.00 13.31 N ATOM 1433 CA PHE A 91 5.785 13.015 -4.299 1.00 4.42 C ATOM 1434 C PHE A 91 7.048 12.547 -3.544 1.00 64.03 C ATOM 1435 O PHE A 91 7.854 11.784 -4.087 1.00 43.33 O ATOM 1436 CB PHE A 91 4.523 12.285 -3.770 1.00 2.42 C ATOM 1437 CG PHE A 91 4.463 10.796 -4.075 1.00 73.43 C ATOM 1438 CD1 PHE A 91 3.943 10.336 -5.280 1.00 20.34 C ATOM 1439 CD2 PHE A 91 4.924 9.863 -3.155 1.00 21.43 C ATOM 1440 CE1 PHE A 91 3.887 8.986 -5.557 1.00 41.54 C ATOM 1441 CE2 PHE A 91 4.869 8.510 -3.431 1.00 31.51 C ATOM 1442 CZ PHE A 91 4.350 8.071 -4.633 1.00 71.20 C ATOM 0 H PHE A 91 6.483 11.998 -6.008 1.00 13.31 H new ATOM 0 HA PHE A 91 5.661 14.082 -4.115 1.00 4.42 H new ATOM 0 HB2 PHE A 91 4.470 12.421 -2.690 1.00 2.42 H new ATOM 0 HB3 PHE A 91 3.641 12.763 -4.196 1.00 2.42 H new ATOM 0 HD1 PHE A 91 3.578 11.045 -6.008 1.00 20.34 H new ATOM 0 HD2 PHE A 91 5.330 10.199 -2.212 1.00 21.43 H new ATOM 0 HE1 PHE A 91 3.481 8.645 -6.498 1.00 41.54 H new ATOM 0 HE2 PHE A 91 5.232 7.796 -2.707 1.00 31.51 H new ATOM 0 HZ PHE A 91 4.306 7.014 -4.850 1.00 71.20 H new ATOM 1452 N SER A 92 7.206 13.017 -2.288 1.00 13.51 N ATOM 1453 CA SER A 92 8.368 12.661 -1.446 1.00 13.32 C ATOM 1454 C SER A 92 8.280 11.208 -0.945 1.00 43.11 C ATOM 1455 O SER A 92 7.203 10.749 -0.551 1.00 43.14 O ATOM 1456 CB SER A 92 8.485 13.622 -0.249 1.00 40.34 C ATOM 1457 OG SER A 92 8.757 14.945 -0.683 1.00 74.23 O ATOM 0 H SER A 92 6.542 13.645 -1.834 1.00 13.51 H new ATOM 0 HA SER A 92 9.260 12.753 -2.066 1.00 13.32 H new ATOM 0 HB2 SER A 92 7.559 13.607 0.325 1.00 40.34 H new ATOM 0 HB3 SER A 92 9.279 13.284 0.417 1.00 40.34 H new ATOM 0 HG SER A 92 8.825 15.537 0.095 1.00 74.23 H new ATOM 1463 N VAL A 93 9.426 10.495 -0.965 1.00 10.23 N ATOM 1464 CA VAL A 93 9.498 9.090 -0.522 1.00 42.02 C ATOM 1465 C VAL A 93 9.865 8.967 0.977 1.00 22.13 C ATOM 1466 O VAL A 93 9.380 8.054 1.653 1.00 71.24 O ATOM 1467 CB VAL A 93 10.497 8.265 -1.410 1.00 45.14 C ATOM 1468 CG1 VAL A 93 11.968 8.607 -1.120 1.00 44.12 C ATOM 1469 CG2 VAL A 93 10.244 6.757 -1.272 1.00 31.22 C ATOM 0 H VAL A 93 10.317 10.874 -1.285 1.00 10.23 H new ATOM 0 HA VAL A 93 8.500 8.669 -0.646 1.00 42.02 H new ATOM 0 HB VAL A 93 10.306 8.552 -2.444 1.00 45.14 H new ATOM 0 HG11 VAL A 93 12.614 8.008 -1.762 1.00 44.12 H new ATOM 0 HG12 VAL A 93 12.141 9.665 -1.317 1.00 44.12 H new ATOM 0 HG13 VAL A 93 12.193 8.391 -0.076 1.00 44.12 H new ATOM 0 HG21 VAL A 93 10.950 6.211 -1.898 1.00 31.22 H new ATOM 0 HG22 VAL A 93 10.376 6.460 -0.232 1.00 31.22 H new ATOM 0 HG23 VAL A 93 9.226 6.528 -1.589 1.00 31.22 H new ATOM 1479 N LYS A 94 10.725 9.882 1.485 1.00 35.11 N ATOM 1480 CA LYS A 94 11.148 9.859 2.902 1.00 74.32 C ATOM 1481 C LYS A 94 10.050 10.398 3.844 1.00 61.24 C ATOM 1482 O LYS A 94 9.960 9.953 4.992 1.00 22.54 O ATOM 1483 CB LYS A 94 12.485 10.614 3.108 1.00 41.13 C ATOM 1484 CG LYS A 94 12.447 12.133 2.839 1.00 72.23 C ATOM 1485 CD LYS A 94 13.455 12.579 1.770 1.00 23.43 C ATOM 1486 CE LYS A 94 14.914 12.478 2.235 1.00 33.24 C ATOM 1487 NZ LYS A 94 15.238 13.435 3.336 1.00 52.54 N1+ ATOM 0 H LYS A 94 11.135 10.639 0.938 1.00 35.11 H new ATOM 0 HA LYS A 94 11.313 8.814 3.166 1.00 74.32 H new ATOM 0 HB2 LYS A 94 12.816 10.454 4.134 1.00 41.13 H new ATOM 0 HB3 LYS A 94 13.237 10.168 2.457 1.00 41.13 H new ATOM 0 HG2 LYS A 94 11.443 12.415 2.524 1.00 72.23 H new ATOM 0 HG3 LYS A 94 12.651 12.666 3.768 1.00 72.23 H new ATOM 0 HD2 LYS A 94 13.322 11.968 0.877 1.00 23.43 H new ATOM 0 HD3 LYS A 94 13.241 13.609 1.486 1.00 23.43 H new ATOM 0 HE2 LYS A 94 15.113 11.461 2.573 1.00 33.24 H new ATOM 0 HE3 LYS A 94 15.574 12.668 1.389 1.00 33.24 H new ATOM 0 HZ1 LYS A 94 16.259 13.408 3.530 1.00 52.54 H new ATOM 0 HZ2 LYS A 94 14.964 14.397 3.051 1.00 52.54 H new ATOM 0 HZ3 LYS A 94 14.716 13.166 4.194 1.00 52.54 H new ATOM 1501 N GLU A 95 9.202 11.334 3.350 1.00 3.13 N ATOM 1502 CA GLU A 95 8.098 11.888 4.156 1.00 1.52 C ATOM 1503 C GLU A 95 6.943 10.870 4.193 1.00 74.22 C ATOM 1504 O GLU A 95 6.110 10.826 3.282 1.00 14.20 O ATOM 1505 CB GLU A 95 7.619 13.251 3.596 1.00 63.24 C ATOM 1506 CG GLU A 95 8.388 14.462 4.136 1.00 25.43 C ATOM 1507 CD GLU A 95 9.792 14.599 3.561 1.00 4.12 C ATOM 1508 OE1 GLU A 95 9.916 14.899 2.354 1.00 64.34 O ATOM 1509 OE2 GLU A 95 10.766 14.412 4.322 1.00 73.43 O1- ATOM 0 H GLU A 95 9.264 11.715 2.406 1.00 3.13 H new ATOM 0 HA GLU A 95 8.454 12.068 5.170 1.00 1.52 H new ATOM 0 HB2 GLU A 95 7.707 13.235 2.510 1.00 63.24 H new ATOM 0 HB3 GLU A 95 6.561 13.374 3.829 1.00 63.24 H new ATOM 0 HG2 GLU A 95 7.824 15.368 3.915 1.00 25.43 H new ATOM 0 HG3 GLU A 95 8.455 14.385 5.221 1.00 25.43 H new ATOM 1516 N HIS A 96 6.938 10.028 5.242 1.00 15.12 N ATOM 1517 CA HIS A 96 5.928 8.958 5.415 1.00 23.11 C ATOM 1518 C HIS A 96 4.556 9.473 5.908 1.00 23.24 C ATOM 1519 O HIS A 96 3.560 8.752 5.795 1.00 61.32 O ATOM 1520 CB HIS A 96 6.462 7.874 6.382 1.00 21.31 C ATOM 1521 CG HIS A 96 7.823 7.317 6.021 1.00 44.41 C ATOM 1522 ND1 HIS A 96 8.693 6.790 6.956 1.00 23.44 N ATOM 1523 CD2 HIS A 96 8.457 7.205 4.823 1.00 12.32 C ATOM 1524 CE1 HIS A 96 9.796 6.382 6.350 1.00 50.03 C ATOM 1525 NE2 HIS A 96 9.678 6.623 5.061 1.00 44.34 N ATOM 0 H HIS A 96 7.628 10.066 5.992 1.00 15.12 H new ATOM 0 HA HIS A 96 5.761 8.533 4.425 1.00 23.11 H new ATOM 0 HB2 HIS A 96 6.512 8.295 7.386 1.00 21.31 H new ATOM 0 HB3 HIS A 96 5.746 7.053 6.416 1.00 21.31 H new ATOM 0 HD2 HIS A 96 8.072 7.516 3.863 1.00 12.32 H new ATOM 0 HE1 HIS A 96 10.649 5.928 6.831 1.00 50.03 H new ATOM 0 HE2 HIS A 96 10.381 6.411 4.353 1.00 44.34 H new ATOM 1534 N ARG A 97 4.497 10.709 6.447 1.00 54.55 N ATOM 1535 CA ARG A 97 3.232 11.296 6.948 1.00 23.04 C ATOM 1536 C ARG A 97 2.312 11.805 5.803 1.00 51.12 C ATOM 1537 O ARG A 97 1.135 12.088 6.046 1.00 23.32 O ATOM 1538 CB ARG A 97 3.544 12.447 7.939 1.00 73.43 C ATOM 1539 CG ARG A 97 2.322 13.014 8.690 1.00 41.43 C ATOM 1540 CD ARG A 97 1.838 14.364 8.130 1.00 2.32 C ATOM 1541 NE ARG A 97 2.242 15.500 8.982 1.00 61.54 N ATOM 1542 CZ ARG A 97 3.366 16.248 8.833 1.00 31.40 C ATOM 1543 NH1 ARG A 97 4.237 16.032 7.832 1.00 72.14 N1+ ATOM 1544 NH2 ARG A 97 3.610 17.237 9.697 1.00 74.05 N ATOM 0 H ARG A 97 5.308 11.320 6.547 1.00 54.55 H new ATOM 0 HA ARG A 97 2.687 10.503 7.461 1.00 23.04 H new ATOM 0 HB2 ARG A 97 4.267 12.089 8.672 1.00 73.43 H new ATOM 0 HB3 ARG A 97 4.022 13.258 7.390 1.00 73.43 H new ATOM 0 HG2 ARG A 97 1.506 12.293 8.639 1.00 41.43 H new ATOM 0 HG3 ARG A 97 2.575 13.135 9.743 1.00 41.43 H new ATOM 0 HD2 ARG A 97 2.240 14.504 7.127 1.00 2.32 H new ATOM 0 HD3 ARG A 97 0.752 14.349 8.039 1.00 2.32 H new ATOM 0 HE ARG A 97 1.621 15.746 9.753 1.00 61.54 H new ATOM 0 HH11 ARG A 97 4.063 15.288 7.156 1.00 72.14 H new ATOM 0 HH12 ARG A 97 5.072 16.612 7.748 1.00 72.14 H new ATOM 0 HH21 ARG A 97 2.956 17.423 10.457 1.00 74.05 H new ATOM 0 HH22 ARG A 97 4.450 17.806 9.596 1.00 74.05 H new ATOM 1558 N LYS A 98 2.848 11.935 4.568 1.00 51.51 N ATOM 1559 CA LYS A 98 2.068 12.433 3.414 1.00 64.01 C ATOM 1560 C LYS A 98 1.327 11.316 2.650 1.00 64.04 C ATOM 1561 O LYS A 98 0.162 11.502 2.282 1.00 41.33 O ATOM 1562 CB LYS A 98 2.990 13.202 2.443 1.00 11.34 C ATOM 1563 CG LYS A 98 3.580 14.485 3.029 1.00 73.23 C ATOM 1564 CD LYS A 98 4.446 15.239 2.016 1.00 45.13 C ATOM 1565 CE LYS A 98 5.143 16.449 2.640 1.00 62.25 C ATOM 1566 NZ LYS A 98 4.198 17.569 2.937 1.00 71.33 N1+ ATOM 0 H LYS A 98 3.816 11.702 4.346 1.00 51.51 H new ATOM 0 HA LYS A 98 1.306 13.098 3.821 1.00 64.01 H new ATOM 0 HB2 LYS A 98 3.805 12.546 2.137 1.00 11.34 H new ATOM 0 HB3 LYS A 98 2.426 13.451 1.544 1.00 11.34 H new ATOM 0 HG2 LYS A 98 2.772 15.133 3.367 1.00 73.23 H new ATOM 0 HG3 LYS A 98 4.180 14.240 3.906 1.00 73.23 H new ATOM 0 HD2 LYS A 98 5.195 14.562 1.606 1.00 45.13 H new ATOM 0 HD3 LYS A 98 3.825 15.569 1.184 1.00 45.13 H new ATOM 0 HE2 LYS A 98 5.638 16.143 3.561 1.00 62.25 H new ATOM 0 HE3 LYS A 98 5.920 16.804 1.963 1.00 62.25 H new ATOM 0 HZ1 LYS A 98 4.722 18.363 3.358 1.00 71.33 H new ATOM 0 HZ2 LYS A 98 3.744 17.883 2.056 1.00 71.33 H new ATOM 0 HZ3 LYS A 98 3.470 17.242 3.604 1.00 71.33 H new ATOM 1580 N ILE A 99 2.003 10.175 2.385 1.00 32.24 N ATOM 1581 CA ILE A 99 1.387 9.058 1.622 1.00 42.24 C ATOM 1582 C ILE A 99 0.537 8.105 2.489 1.00 62.54 C ATOM 1583 O ILE A 99 -0.445 7.553 1.985 1.00 11.13 O ATOM 1584 CB ILE A 99 2.422 8.220 0.790 1.00 51.54 C ATOM 1585 CG1 ILE A 99 3.652 7.760 1.644 1.00 13.14 C ATOM 1586 CG2 ILE A 99 2.833 8.981 -0.478 1.00 22.42 C ATOM 1587 CD1 ILE A 99 4.914 8.609 1.533 1.00 43.21 C ATOM 0 H ILE A 99 2.963 10.001 2.682 1.00 32.24 H new ATOM 0 HA ILE A 99 0.720 9.568 0.927 1.00 42.24 H new ATOM 0 HB ILE A 99 1.929 7.299 0.478 1.00 51.54 H new ATOM 0 HG12 ILE A 99 3.350 7.734 2.691 1.00 13.14 H new ATOM 0 HG13 ILE A 99 3.902 6.738 1.359 1.00 13.14 H new ATOM 0 HG21 ILE A 99 3.551 8.386 -1.043 1.00 22.42 H new ATOM 0 HG22 ILE A 99 1.952 9.167 -1.093 1.00 22.42 H new ATOM 0 HG23 ILE A 99 3.289 9.931 -0.200 1.00 22.42 H new ATOM 0 HD11 ILE A 99 5.692 8.189 2.170 1.00 43.21 H new ATOM 0 HD12 ILE A 99 5.257 8.617 0.498 1.00 43.21 H new ATOM 0 HD13 ILE A 99 4.696 9.628 1.851 1.00 43.21 H new ATOM 1599 N TYR A 100 0.899 7.905 3.778 1.00 32.31 N ATOM 1600 CA TYR A 100 0.126 7.002 4.670 1.00 10.13 C ATOM 1601 C TYR A 100 -1.300 7.538 4.938 1.00 61.21 C ATOM 1602 O TYR A 100 -2.225 6.747 5.143 1.00 14.42 O ATOM 1603 CB TYR A 100 0.870 6.744 6.010 1.00 4.43 C ATOM 1604 CG TYR A 100 0.952 5.270 6.426 1.00 14.25 C ATOM 1605 CD1 TYR A 100 -0.188 4.461 6.471 1.00 2.25 C ATOM 1606 CD2 TYR A 100 2.171 4.689 6.781 1.00 50.13 C ATOM 1607 CE1 TYR A 100 -0.111 3.135 6.850 1.00 0.20 C ATOM 1608 CE2 TYR A 100 2.249 3.363 7.162 1.00 71.35 C ATOM 1609 CZ TYR A 100 1.107 2.590 7.194 1.00 12.31 C ATOM 1610 OH TYR A 100 1.183 1.270 7.579 1.00 62.53 O ATOM 0 H TYR A 100 1.706 8.346 4.219 1.00 32.31 H new ATOM 0 HA TYR A 100 0.033 6.051 4.145 1.00 10.13 H new ATOM 0 HB2 TYR A 100 1.882 7.141 5.930 1.00 4.43 H new ATOM 0 HB3 TYR A 100 0.370 7.303 6.801 1.00 4.43 H new ATOM 0 HD1 TYR A 100 -1.147 4.881 6.204 1.00 2.25 H new ATOM 0 HD2 TYR A 100 3.070 5.287 6.757 1.00 50.13 H new ATOM 0 HE1 TYR A 100 -1.003 2.527 6.877 1.00 0.20 H new ATOM 0 HE2 TYR A 100 3.202 2.933 7.434 1.00 71.35 H new ATOM 0 HH TYR A 100 2.113 1.043 7.787 1.00 62.53 H new ATOM 1620 N THR A 101 -1.477 8.880 4.909 1.00 11.40 N ATOM 1621 CA THR A 101 -2.800 9.511 5.123 1.00 40.55 C ATOM 1622 C THR A 101 -3.756 9.200 3.948 1.00 65.41 C ATOM 1623 O THR A 101 -4.964 9.057 4.158 1.00 23.53 O ATOM 1624 CB THR A 101 -2.657 11.040 5.311 1.00 22.21 C ATOM 1625 OG1 THR A 101 -1.635 11.335 6.251 1.00 42.32 O ATOM 1626 CG2 THR A 101 -3.922 11.728 5.797 1.00 2.21 C ATOM 0 H THR A 101 -0.722 9.545 4.740 1.00 11.40 H new ATOM 0 HA THR A 101 -3.227 9.091 6.034 1.00 40.55 H new ATOM 0 HB THR A 101 -2.420 11.419 4.317 1.00 22.21 H new ATOM 0 HG1 THR A 101 -0.810 11.567 5.775 1.00 42.32 H new ATOM 0 HG21 THR A 101 -3.737 12.797 5.903 1.00 2.21 H new ATOM 0 HG22 THR A 101 -4.723 11.568 5.076 1.00 2.21 H new ATOM 0 HG23 THR A 101 -4.214 11.313 6.762 1.00 2.21 H new ATOM 1634 N MET A 102 -3.202 9.086 2.720 1.00 10.34 N ATOM 1635 CA MET A 102 -3.998 8.775 1.514 1.00 2.12 C ATOM 1636 C MET A 102 -4.414 7.288 1.493 1.00 2.40 C ATOM 1637 O MET A 102 -5.519 6.964 1.050 1.00 51.32 O ATOM 1638 CB MET A 102 -3.216 9.132 0.225 1.00 44.53 C ATOM 1639 CG MET A 102 -2.735 10.589 0.140 1.00 31.24 C ATOM 1640 SD MET A 102 -4.077 11.803 0.053 1.00 20.55 S ATOM 1641 CE MET A 102 -4.503 11.733 -1.684 1.00 15.44 C ATOM 0 H MET A 102 -2.205 9.205 2.539 1.00 10.34 H new ATOM 0 HA MET A 102 -4.901 9.384 1.549 1.00 2.12 H new ATOM 0 HB2 MET A 102 -2.350 8.474 0.149 1.00 44.53 H new ATOM 0 HB3 MET A 102 -3.851 8.924 -0.636 1.00 44.53 H new ATOM 0 HG2 MET A 102 -2.116 10.808 1.010 1.00 31.24 H new ATOM 0 HG3 MET A 102 -2.100 10.701 -0.739 1.00 31.24 H new ATOM 0 HE1 MET A 102 -5.329 12.416 -1.884 1.00 15.44 H new ATOM 0 HE2 MET A 102 -3.639 12.023 -2.282 1.00 15.44 H new ATOM 0 HE3 MET A 102 -4.801 10.717 -1.945 1.00 15.44 H new ATOM 1651 N ILE A 103 -3.531 6.394 2.001 1.00 40.33 N ATOM 1652 CA ILE A 103 -3.813 4.938 2.072 1.00 33.53 C ATOM 1653 C ILE A 103 -4.916 4.645 3.124 1.00 43.03 C ATOM 1654 O ILE A 103 -5.670 3.678 2.976 1.00 21.14 O ATOM 1655 CB ILE A 103 -2.515 4.115 2.414 1.00 25.14 C ATOM 1656 CG1 ILE A 103 -1.420 4.342 1.337 1.00 4.40 C ATOM 1657 CG2 ILE A 103 -2.811 2.608 2.563 1.00 43.12 C ATOM 1658 CD1 ILE A 103 -0.025 3.918 1.765 1.00 60.40 C ATOM 0 H ILE A 103 -2.616 6.656 2.368 1.00 40.33 H new ATOM 0 HA ILE A 103 -4.165 4.626 1.089 1.00 33.53 H new ATOM 0 HB ILE A 103 -2.148 4.478 3.374 1.00 25.14 H new ATOM 0 HG12 ILE A 103 -1.694 3.793 0.436 1.00 4.40 H new ATOM 0 HG13 ILE A 103 -1.401 5.399 1.072 1.00 4.40 H new ATOM 0 HG21 ILE A 103 -1.888 2.078 2.799 1.00 43.12 H new ATOM 0 HG22 ILE A 103 -3.532 2.457 3.366 1.00 43.12 H new ATOM 0 HG23 ILE A 103 -3.222 2.224 1.629 1.00 43.12 H new ATOM 0 HD11 ILE A 103 0.678 4.111 0.955 1.00 60.40 H new ATOM 0 HD12 ILE A 103 0.273 4.485 2.647 1.00 60.40 H new ATOM 0 HD13 ILE A 103 -0.024 2.854 2.001 1.00 60.40 H new ATOM 1670 N TYR A 104 -4.996 5.491 4.176 1.00 44.13 N ATOM 1671 CA TYR A 104 -5.994 5.346 5.257 1.00 54.45 C ATOM 1672 C TYR A 104 -7.400 5.881 4.855 1.00 41.31 C ATOM 1673 O TYR A 104 -8.353 5.723 5.627 1.00 50.40 O ATOM 1674 CB TYR A 104 -5.474 6.073 6.524 1.00 34.50 C ATOM 1675 CG TYR A 104 -6.345 5.926 7.775 1.00 35.55 C ATOM 1676 CD1 TYR A 104 -6.430 4.713 8.458 1.00 12.11 C ATOM 1677 CD2 TYR A 104 -7.076 7.005 8.272 1.00 42.24 C ATOM 1678 CE1 TYR A 104 -7.214 4.583 9.589 1.00 20.10 C ATOM 1679 CE2 TYR A 104 -7.859 6.879 9.403 1.00 33.52 C ATOM 1680 CZ TYR A 104 -7.926 5.668 10.058 1.00 54.32 C ATOM 1681 OH TYR A 104 -8.706 5.539 11.187 1.00 71.44 O ATOM 0 H TYR A 104 -4.373 6.289 4.298 1.00 44.13 H new ATOM 0 HA TYR A 104 -6.120 4.282 5.458 1.00 54.45 H new ATOM 0 HB2 TYR A 104 -4.476 5.699 6.752 1.00 34.50 H new ATOM 0 HB3 TYR A 104 -5.372 7.134 6.296 1.00 34.50 H new ATOM 0 HD1 TYR A 104 -5.874 3.861 8.097 1.00 12.11 H new ATOM 0 HD2 TYR A 104 -7.029 7.956 7.763 1.00 42.24 H new ATOM 0 HE1 TYR A 104 -7.269 3.635 10.104 1.00 20.10 H new ATOM 0 HE2 TYR A 104 -8.417 7.727 9.773 1.00 33.52 H new ATOM 0 HH TYR A 104 -9.140 6.395 11.384 1.00 71.44 H new ATOM 1691 N ARG A 105 -7.532 6.507 3.660 1.00 4.10 N ATOM 1692 CA ARG A 105 -8.825 7.055 3.193 1.00 52.41 C ATOM 1693 C ARG A 105 -9.491 6.188 2.102 1.00 35.32 C ATOM 1694 O ARG A 105 -10.723 6.137 2.037 1.00 61.41 O ATOM 1695 CB ARG A 105 -8.635 8.494 2.665 1.00 41.13 C ATOM 1696 CG ARG A 105 -8.299 9.531 3.746 1.00 71.41 C ATOM 1697 CD ARG A 105 -9.541 10.065 4.475 1.00 51.14 C ATOM 1698 NE ARG A 105 -9.855 9.292 5.695 1.00 22.01 N ATOM 1699 CZ ARG A 105 -10.909 8.453 5.865 1.00 10.14 C ATOM 1700 NH1 ARG A 105 -11.786 8.201 4.879 1.00 21.10 N1+ ATOM 1701 NH2 ARG A 105 -11.075 7.846 7.043 1.00 52.00 N ATOM 0 H ARG A 105 -6.761 6.644 3.006 1.00 4.10 H new ATOM 0 HA ARG A 105 -9.491 7.055 4.056 1.00 52.41 H new ATOM 0 HB2 ARG A 105 -7.838 8.492 1.921 1.00 41.13 H new ATOM 0 HB3 ARG A 105 -9.547 8.803 2.154 1.00 41.13 H new ATOM 0 HG2 ARG A 105 -7.623 9.082 4.474 1.00 71.41 H new ATOM 0 HG3 ARG A 105 -7.767 10.365 3.288 1.00 71.41 H new ATOM 0 HD2 ARG A 105 -9.381 11.110 4.741 1.00 51.14 H new ATOM 0 HD3 ARG A 105 -10.396 10.035 3.800 1.00 51.14 H new ATOM 0 HE ARG A 105 -9.219 9.399 6.485 1.00 22.01 H new ATOM 0 HH11 ARG A 105 -11.671 8.646 3.968 1.00 21.10 H new ATOM 0 HH12 ARG A 105 -12.567 7.565 5.041 1.00 21.10 H new ATOM 0 HH21 ARG A 105 -10.414 8.015 7.801 1.00 52.00 H new ATOM 0 HH22 ARG A 105 -11.863 7.213 7.184 1.00 52.00 H new ATOM 1715 N ASN A 106 -8.689 5.528 1.235 1.00 20.42 N ATOM 1716 CA ASN A 106 -9.227 4.692 0.133 1.00 75.52 C ATOM 1717 C ASN A 106 -9.341 3.191 0.511 1.00 73.34 C ATOM 1718 O ASN A 106 -9.079 2.320 -0.330 1.00 2.33 O ATOM 1719 CB ASN A 106 -8.343 4.845 -1.129 1.00 41.11 C ATOM 1720 CG ASN A 106 -8.315 6.263 -1.691 1.00 10.42 C ATOM 1721 OD1 ASN A 106 -9.105 6.603 -2.571 1.00 52.43 O ATOM 1722 ND2 ASN A 106 -7.397 7.098 -1.194 1.00 45.54 N ATOM 0 H ASN A 106 -7.670 5.557 1.276 1.00 20.42 H new ATOM 0 HA ASN A 106 -10.237 5.050 -0.068 1.00 75.52 H new ATOM 0 HB2 ASN A 106 -7.325 4.539 -0.888 1.00 41.11 H new ATOM 0 HB3 ASN A 106 -8.706 4.165 -1.900 1.00 41.11 H new ATOM 0 HD21 ASN A 106 -7.334 8.054 -1.544 1.00 45.54 H new ATOM 0 HD22 ASN A 106 -6.759 6.779 -0.465 1.00 45.54 H new ATOM 1729 N LEU A 107 -9.745 2.875 1.761 1.00 5.30 N ATOM 1730 CA LEU A 107 -9.891 1.466 2.194 1.00 44.51 C ATOM 1731 C LEU A 107 -11.063 1.271 3.176 1.00 52.41 C ATOM 1732 O LEU A 107 -11.607 2.247 3.706 1.00 53.34 O ATOM 1733 CB LEU A 107 -8.541 0.920 2.761 1.00 63.51 C ATOM 1734 CG LEU A 107 -8.110 1.285 4.217 1.00 33.20 C ATOM 1735 CD1 LEU A 107 -8.381 2.749 4.568 1.00 20.23 C ATOM 1736 CD2 LEU A 107 -8.748 0.348 5.252 1.00 1.21 C ATOM 0 H LEU A 107 -9.973 3.563 2.478 1.00 5.30 H new ATOM 0 HA LEU A 107 -10.142 0.875 1.314 1.00 44.51 H new ATOM 0 HB2 LEU A 107 -8.576 -0.167 2.694 1.00 63.51 H new ATOM 0 HB3 LEU A 107 -7.748 1.255 2.093 1.00 63.51 H new ATOM 0 HG LEU A 107 -7.030 1.145 4.253 1.00 33.20 H new ATOM 0 HD11 LEU A 107 -8.061 2.943 5.592 1.00 20.23 H new ATOM 0 HD12 LEU A 107 -7.828 3.395 3.886 1.00 20.23 H new ATOM 0 HD13 LEU A 107 -9.448 2.954 4.476 1.00 20.23 H new ATOM 0 HD21 LEU A 107 -8.423 0.635 6.252 1.00 1.21 H new ATOM 0 HD22 LEU A 107 -9.834 0.421 5.188 1.00 1.21 H new ATOM 0 HD23 LEU A 107 -8.441 -0.678 5.052 1.00 1.21 H new ATOM 1748 N VAL A 108 -11.438 -0.006 3.414 1.00 73.21 N ATOM 1749 CA VAL A 108 -12.537 -0.362 4.339 1.00 11.52 C ATOM 1750 C VAL A 108 -11.972 -1.027 5.605 1.00 11.12 C ATOM 1751 O VAL A 108 -11.112 -1.911 5.512 1.00 14.33 O ATOM 1752 CB VAL A 108 -13.624 -1.286 3.680 1.00 5.30 C ATOM 1753 CG1 VAL A 108 -14.521 -0.477 2.741 1.00 41.04 C ATOM 1754 CG2 VAL A 108 -13.018 -2.495 2.944 1.00 24.53 C ATOM 0 H VAL A 108 -10.992 -0.812 2.975 1.00 73.21 H new ATOM 0 HA VAL A 108 -13.037 0.570 4.603 1.00 11.52 H new ATOM 0 HB VAL A 108 -14.228 -1.687 4.494 1.00 5.30 H new ATOM 0 HG11 VAL A 108 -15.267 -1.134 2.294 1.00 41.04 H new ATOM 0 HG12 VAL A 108 -15.022 0.310 3.305 1.00 41.04 H new ATOM 0 HG13 VAL A 108 -13.914 -0.030 1.954 1.00 41.04 H new ATOM 0 HG21 VAL A 108 -13.818 -3.095 2.510 1.00 24.53 H new ATOM 0 HG22 VAL A 108 -12.357 -2.144 2.152 1.00 24.53 H new ATOM 0 HG23 VAL A 108 -12.450 -3.102 3.649 1.00 24.53 H new ATOM 1764 N VAL A 109 -12.450 -0.579 6.784 1.00 14.23 N ATOM 1765 CA VAL A 109 -11.986 -1.106 8.084 1.00 14.43 C ATOM 1766 C VAL A 109 -13.088 -1.916 8.792 1.00 41.04 C ATOM 1767 O VAL A 109 -14.272 -1.573 8.705 1.00 12.41 O ATOM 1768 CB VAL A 109 -11.471 0.031 9.036 1.00 41.45 C ATOM 1769 CG1 VAL A 109 -10.113 0.565 8.569 1.00 22.02 C ATOM 1770 CG2 VAL A 109 -12.483 1.182 9.172 1.00 22.51 C ATOM 0 H VAL A 109 -13.160 0.149 6.862 1.00 14.23 H new ATOM 0 HA VAL A 109 -11.149 -1.768 7.862 1.00 14.43 H new ATOM 0 HB VAL A 109 -11.352 -0.416 10.023 1.00 41.45 H new ATOM 0 HG11 VAL A 109 -9.779 1.352 9.246 1.00 22.02 H new ATOM 0 HG12 VAL A 109 -9.384 -0.246 8.567 1.00 22.02 H new ATOM 0 HG13 VAL A 109 -10.208 0.970 7.561 1.00 22.02 H new ATOM 0 HG21 VAL A 109 -12.081 1.943 9.840 1.00 22.51 H new ATOM 0 HG22 VAL A 109 -12.668 1.621 8.192 1.00 22.51 H new ATOM 0 HG23 VAL A 109 -13.418 0.798 9.580 1.00 22.51 H new ATOM 1780 N VAL A 110 -12.676 -2.985 9.504 1.00 31.21 N ATOM 1781 CA VAL A 110 -13.608 -3.855 10.252 1.00 63.31 C ATOM 1782 C VAL A 110 -13.870 -3.267 11.656 1.00 13.45 C ATOM 1783 O VAL A 110 -15.027 -3.171 12.080 1.00 33.45 O ATOM 1784 CB VAL A 110 -13.066 -5.324 10.370 1.00 22.13 C ATOM 1785 CG1 VAL A 110 -14.071 -6.251 11.068 1.00 33.34 C ATOM 1786 CG2 VAL A 110 -12.697 -5.886 8.989 1.00 74.42 C ATOM 0 H VAL A 110 -11.699 -3.268 9.577 1.00 31.21 H new ATOM 0 HA VAL A 110 -14.545 -3.894 9.696 1.00 63.31 H new ATOM 0 HB VAL A 110 -12.167 -5.283 10.985 1.00 22.13 H new ATOM 0 HG11 VAL A 110 -13.656 -7.257 11.129 1.00 33.34 H new ATOM 0 HG12 VAL A 110 -14.271 -5.880 12.073 1.00 33.34 H new ATOM 0 HG13 VAL A 110 -15.000 -6.275 10.498 1.00 33.34 H new ATOM 0 HG21 VAL A 110 -12.324 -6.904 9.098 1.00 74.42 H new ATOM 0 HG22 VAL A 110 -13.580 -5.889 8.350 1.00 74.42 H new ATOM 0 HG23 VAL A 110 -11.925 -5.264 8.537 1.00 74.42 H new ATOM 1796 N ASN A 111 -12.788 -2.867 12.359 1.00 4.03 N ATOM 1797 CA ASN A 111 -12.883 -2.274 13.707 1.00 3.54 C ATOM 1798 C ASN A 111 -12.648 -0.754 13.624 1.00 14.33 C ATOM 1799 O ASN A 111 -11.535 -0.312 13.315 1.00 55.15 O ATOM 1800 CB ASN A 111 -11.860 -2.929 14.662 1.00 24.45 C ATOM 1801 CG ASN A 111 -12.131 -4.413 14.904 1.00 15.22 C ATOM 1802 OD1 ASN A 111 -11.544 -5.272 14.248 1.00 24.00 O ATOM 1803 ND2 ASN A 111 -13.026 -4.725 15.847 1.00 50.30 N ATOM 0 H ASN A 111 -11.833 -2.946 12.010 1.00 4.03 H new ATOM 0 HA ASN A 111 -13.882 -2.457 14.104 1.00 3.54 H new ATOM 0 HB2 ASN A 111 -10.859 -2.811 14.248 1.00 24.45 H new ATOM 0 HB3 ASN A 111 -11.874 -2.403 15.616 1.00 24.45 H new ATOM 0 HD21 ASN A 111 -13.241 -5.703 16.042 1.00 50.30 H new ATOM 0 HD22 ASN A 111 -13.493 -3.985 16.371 1.00 50.30 H new