USER MOD reduce.3.24.130724 H: found=0, std=0, add=1234, rem=0, adj=53 USER MOD reduce.3.24.130724 removed 1234 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 465 ASN : amide:sc= -0.177 K(o=0.084,f=-2!) USER MOD Set 1.2: A 466 LYS NZ :NH3+ 158:sc= 0.261 (180deg=0) USER MOD Set 2.1: A 52 THR OG1 : rot 177:sc= 0.542 USER MOD Set 2.2: A 460 GLN :FLIP amide:sc= -2.08 F(o=-5,f=-4.1) USER MOD Set 2.3: A 464 MET CE :methyl 147:sc= -2.58 (180deg=-0.0182) USER MOD Set 3.1: A 439 GLN : amide:sc= -0.056 X(o=-0.064,f=-0.064) USER MOD Set 3.2: A 442 GLN :FLIP amide:sc=-0.00815 F(o=-1.2,f=-0.064) USER MOD Set 4.1: A 79 LYS NZ :NH3+ 180:sc= 0.969 (180deg=-0.0092) USER MOD Set 4.2: A 451 ASN : amide:sc= 0.846 K(o=1.8,f=-1.4) USER MOD Set 5.1: A 18 SER OG : rot -81:sc= 0.522 USER MOD Set 5.2: A 40 TYR OH : rot 7:sc= 0.551 USER MOD Set 5.3: A 71 THR OG1 : rot 94:sc= 0.127 USER MOD Set 5.4: A 74 ASN :FLIP amide:sc= 0.203 F(o=0.43,f=1.4) USER MOD Set 6.1: A 2 THR OG1 : rot 180:sc= 0.00029 USER MOD Set 6.2: A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 177:sc=-0.00939 (180deg=-0.0314) USER MOD Single : A 4 THR OG1 : rot -112:sc= 0.38 USER MOD Single : A 9 ASN :FLIP amide:sc= 0 F(o=-1.3,f=0) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 19 GLN :FLIP amide:sc= 0 F(o=-0.62,f=0) USER MOD Single : A 20 SER OG : rot 84:sc= 1.2 USER MOD Single : A 26 GLN : amide:sc= -0.085 X(o=-0.085,f=0) USER MOD Single : A 35 GLN : amide:sc= -0.387 X(o=-0.39,f=0) USER MOD Single : A 36 GLN : amide:sc= -0.233 K(o=-0.23,f=-1.8) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN :FLIP amide:sc= 0 F(o=-0.53,f=0) USER MOD Single : A 43 SER OG : rot 78:sc= 0.993 USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.0379 USER MOD Single : A 48 MET CE :methyl -139:sc= -0.297 (180deg=-2.22!) USER MOD Single : A 50 LYS NZ :NH3+ -148:sc= 0.82 (180deg=0.243) USER MOD Single : A 51 GLN :FLIP amide:sc= 0 F(o=-0.5,f=0) USER MOD Single : A 57 THR OG1 : rot 140:sc= -0.182 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= -0.0277 X(o=-0.028,f=0) USER MOD Single : A 63 MET CE :methyl 162:sc= -0.6 (180deg=-1.12) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 172:sc=-0.00152 (180deg=-0.0731) USER MOD Single : A 70 GLN :FLIP amide:sc= 0 F(o=-0.68,f=0) USER MOD Single : A 76 GLN : amide:sc= -0.399 X(o=-0.4,f=0) USER MOD Single : A 83 GLN :FLIP amide:sc= 0 F(o=-0.51,f=0) USER MOD Single : A 84 GLN : amide:sc= -0.172 X(o=-0.17,f=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 GLN :FLIP amide:sc= -0.05 F(o=-0.85,f=-0.05) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 43:sc= 0.108 USER MOD Single : A 428 SER OG : rot 50:sc= 0.236 USER MOD Single : A 432 THR OG1 : rot -71:sc= 0.655 USER MOD Single : A 436 TYR OH : rot 180:sc= 0 USER MOD Single : A 437 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0485) USER MOD Single : A 441 THR OG1 : rot 84:sc= 0.717 USER MOD Single : A 445 THR OG1 : rot 180:sc= 0 USER MOD Single : A 446 MET CE :methyl -120:sc= 0 (180deg=-0.327) USER MOD Single : A 447 MET CE :methyl -121:sc= -2.55 (180deg=-4.51!) USER MOD Single : A 448 SER OG : rot 3:sc= 0.0433 USER MOD Single : A 449 LYS NZ :NH3+ 157:sc= 0.782 (180deg=0.239) USER MOD Single : A 452 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 453 THR OG1 : rot 134:sc= -1.35! USER MOD Single : A 454 SER OG : rot -13:sc= 0.307 USER MOD Single : A 455 SER OG : rot 180:sc= 0 USER MOD Single : A 456 TYR OH : rot 180:sc= -0.873 USER MOD Single : A 458 THR OG1 : rot 180:sc= 0 USER MOD Single : A 459 GLN :FLIP amide:sc= -0.108 F(o=-1.5,f=-0.11) USER MOD Single : A 462 THR OG1 : rot 83:sc= 0.57 USER MOD Single : A 467 SER OG : rot 5:sc= 1.23 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.757 21.289 21.305 1.00 4.50 N ATOM 2 CA MET A 1 -0.738 21.209 20.237 1.00 30.15 C ATOM 3 C MET A 1 -1.315 20.445 19.017 1.00 75.33 C ATOM 4 O MET A 1 -1.224 19.221 18.937 1.00 71.43 O ATOM 5 CB MET A 1 0.573 20.563 20.795 1.00 34.11 C ATOM 6 CG MET A 1 0.399 19.198 21.492 1.00 32.21 C ATOM 7 SD MET A 1 1.944 18.529 22.130 1.00 14.03 S ATOM 8 CE MET A 1 1.418 16.933 22.760 1.00 24.51 C ATOM 0 H1 MET A 1 -1.349 21.757 22.139 1.00 4.50 H new ATOM 0 H2 MET A 1 -2.574 21.836 20.965 1.00 4.50 H new ATOM 0 H3 MET A 1 -2.066 20.330 21.563 1.00 4.50 H new ATOM 0 HA MET A 1 -0.476 22.210 19.893 1.00 30.15 H new ATOM 0 HB2 MET A 1 1.277 20.443 19.971 1.00 34.11 H new ATOM 0 HB3 MET A 1 1.026 21.257 21.503 1.00 34.11 H new ATOM 0 HG2 MET A 1 -0.311 19.304 22.313 1.00 32.21 H new ATOM 0 HG3 MET A 1 -0.033 18.489 20.786 1.00 32.21 H new ATOM 0 HE1 MET A 1 2.274 16.409 23.185 1.00 24.51 H new ATOM 0 HE2 MET A 1 0.662 17.078 23.532 1.00 24.51 H new ATOM 0 HE3 MET A 1 0.998 16.341 21.947 1.00 24.51 H new ATOM 20 N THR A 2 -1.929 21.197 18.077 1.00 72.43 N ATOM 21 CA THR A 2 -2.692 20.636 16.936 1.00 22.43 C ATOM 22 C THR A 2 -1.815 19.779 15.992 1.00 42.54 C ATOM 23 O THR A 2 -2.095 18.590 15.790 1.00 61.53 O ATOM 24 CB THR A 2 -3.388 21.781 16.125 1.00 62.43 C ATOM 25 OG1 THR A 2 -2.434 22.823 15.847 1.00 23.41 O ATOM 26 CG2 THR A 2 -4.597 22.375 16.871 1.00 21.23 C ATOM 0 H THR A 2 -1.910 22.217 18.087 1.00 72.43 H new ATOM 0 HA THR A 2 -3.448 19.976 17.361 1.00 22.43 H new ATOM 0 HB THR A 2 -3.757 21.347 15.196 1.00 62.43 H new ATOM 0 HG1 THR A 2 -2.870 23.538 15.338 1.00 23.41 H new ATOM 0 HG21 THR A 2 -5.045 23.165 16.268 1.00 21.23 H new ATOM 0 HG22 THR A 2 -5.334 21.593 17.050 1.00 21.23 H new ATOM 0 HG23 THR A 2 -4.269 22.789 17.824 1.00 21.23 H new ATOM 34 N SER A 3 -0.752 20.399 15.445 1.00 12.14 N ATOM 35 CA SER A 3 0.150 19.758 14.467 1.00 40.12 C ATOM 36 C SER A 3 0.830 18.508 15.067 1.00 11.34 C ATOM 37 O SER A 3 0.992 17.485 14.388 1.00 70.31 O ATOM 38 CB SER A 3 1.208 20.780 13.988 1.00 11.51 C ATOM 39 OG SER A 3 0.597 21.969 13.509 1.00 5.25 O ATOM 0 H SER A 3 -0.493 21.360 15.669 1.00 12.14 H new ATOM 0 HA SER A 3 -0.442 19.429 13.613 1.00 40.12 H new ATOM 0 HB2 SER A 3 1.882 21.021 14.810 1.00 11.51 H new ATOM 0 HB3 SER A 3 1.814 20.336 13.198 1.00 11.51 H new ATOM 0 HG SER A 3 1.289 22.597 13.215 1.00 5.25 H new ATOM 45 N THR A 4 1.192 18.609 16.356 1.00 13.34 N ATOM 46 CA THR A 4 1.865 17.544 17.094 1.00 31.02 C ATOM 47 C THR A 4 0.914 16.363 17.379 1.00 71.25 C ATOM 48 O THR A 4 1.304 15.214 17.207 1.00 13.14 O ATOM 49 CB THR A 4 2.461 18.088 18.432 1.00 34.13 C ATOM 50 OG1 THR A 4 3.311 19.217 18.169 1.00 65.53 O ATOM 51 CG2 THR A 4 3.260 17.019 19.199 1.00 32.52 C ATOM 0 H THR A 4 1.021 19.444 16.915 1.00 13.34 H new ATOM 0 HA THR A 4 2.679 17.179 16.468 1.00 31.02 H new ATOM 0 HB THR A 4 1.619 18.385 19.057 1.00 34.13 H new ATOM 0 HG1 THR A 4 4.241 18.980 18.370 1.00 65.53 H new ATOM 0 HG21 THR A 4 3.652 17.449 20.121 1.00 32.52 H new ATOM 0 HG22 THR A 4 2.607 16.180 19.439 1.00 32.52 H new ATOM 0 HG23 THR A 4 4.087 16.670 18.581 1.00 32.52 H new ATOM 59 N VAL A 5 -0.341 16.645 17.802 1.00 51.04 N ATOM 60 CA VAL A 5 -1.282 15.576 18.211 1.00 5.23 C ATOM 61 C VAL A 5 -1.758 14.762 16.982 1.00 31.33 C ATOM 62 O VAL A 5 -1.871 13.540 17.065 1.00 62.02 O ATOM 63 CB VAL A 5 -2.511 16.112 19.054 1.00 71.12 C ATOM 64 CG1 VAL A 5 -3.473 16.992 18.223 1.00 0.52 C ATOM 65 CG2 VAL A 5 -3.265 14.944 19.741 1.00 13.45 C ATOM 0 H VAL A 5 -0.721 17.589 17.868 1.00 51.04 H new ATOM 0 HA VAL A 5 -0.727 14.914 18.876 1.00 5.23 H new ATOM 0 HB VAL A 5 -2.100 16.758 19.829 1.00 71.12 H new ATOM 0 HG11 VAL A 5 -4.295 17.329 18.855 1.00 0.52 H new ATOM 0 HG12 VAL A 5 -2.933 17.857 17.837 1.00 0.52 H new ATOM 0 HG13 VAL A 5 -3.870 16.411 17.391 1.00 0.52 H new ATOM 0 HG21 VAL A 5 -4.104 15.339 20.313 1.00 13.45 H new ATOM 0 HG22 VAL A 5 -3.636 14.254 18.983 1.00 13.45 H new ATOM 0 HG23 VAL A 5 -2.586 14.416 20.411 1.00 13.45 H new ATOM 75 N GLU A 6 -1.979 15.445 15.833 1.00 72.11 N ATOM 76 CA GLU A 6 -2.377 14.779 14.573 1.00 3.03 C ATOM 77 C GLU A 6 -1.193 13.962 14.009 1.00 34.43 C ATOM 78 O GLU A 6 -1.389 12.913 13.413 1.00 54.30 O ATOM 79 CB GLU A 6 -2.899 15.807 13.534 1.00 23.23 C ATOM 80 CG GLU A 6 -1.857 16.826 13.036 1.00 43.12 C ATOM 81 CD GLU A 6 -2.446 17.903 12.112 1.00 41.44 C ATOM 82 OE1 GLU A 6 -2.347 17.770 10.873 1.00 13.33 O ATOM 83 OE2 GLU A 6 -3.021 18.882 12.631 1.00 32.25 O ATOM 0 H GLU A 6 -1.888 16.458 15.755 1.00 72.11 H new ATOM 0 HA GLU A 6 -3.197 14.094 14.788 1.00 3.03 H new ATOM 0 HB2 GLU A 6 -3.291 15.263 12.674 1.00 23.23 H new ATOM 0 HB3 GLU A 6 -3.734 16.352 13.974 1.00 23.23 H new ATOM 0 HG2 GLU A 6 -1.394 17.310 13.896 1.00 43.12 H new ATOM 0 HG3 GLU A 6 -1.067 16.296 12.505 1.00 43.12 H new ATOM 90 N PHE A 7 0.034 14.469 14.220 1.00 12.34 N ATOM 91 CA PHE A 7 1.283 13.741 13.924 1.00 62.12 C ATOM 92 C PHE A 7 1.325 12.393 14.702 1.00 22.20 C ATOM 93 O PHE A 7 1.407 11.329 14.089 1.00 25.42 O ATOM 94 CB PHE A 7 2.470 14.672 14.291 1.00 42.03 C ATOM 95 CG PHE A 7 3.870 14.094 14.163 1.00 13.33 C ATOM 96 CD1 PHE A 7 4.591 14.215 12.980 1.00 2.13 C ATOM 97 CD2 PHE A 7 4.485 13.471 15.247 1.00 34.25 C ATOM 98 CE1 PHE A 7 5.880 13.735 12.890 1.00 64.03 C ATOM 99 CE2 PHE A 7 5.768 12.988 15.145 1.00 71.30 C ATOM 100 CZ PHE A 7 6.462 13.121 13.972 1.00 22.34 C ATOM 0 H PHE A 7 0.189 15.401 14.603 1.00 12.34 H new ATOM 0 HA PHE A 7 1.345 13.484 12.866 1.00 62.12 H new ATOM 0 HB2 PHE A 7 2.412 15.559 13.660 1.00 42.03 H new ATOM 0 HB3 PHE A 7 2.334 15.003 15.320 1.00 42.03 H new ATOM 0 HD1 PHE A 7 4.136 14.690 12.123 1.00 2.13 H new ATOM 0 HD2 PHE A 7 3.948 13.366 16.178 1.00 34.25 H new ATOM 0 HE1 PHE A 7 6.433 13.842 11.968 1.00 64.03 H new ATOM 0 HE2 PHE A 7 6.230 12.502 15.992 1.00 71.30 H new ATOM 0 HZ PHE A 7 7.470 12.742 13.897 1.00 22.34 H new ATOM 110 N ILE A 8 1.193 12.477 16.045 1.00 50.44 N ATOM 111 CA ILE A 8 1.239 11.312 16.967 1.00 32.30 C ATOM 112 C ILE A 8 0.175 10.255 16.587 1.00 43.24 C ATOM 113 O ILE A 8 0.500 9.079 16.343 1.00 21.04 O ATOM 114 CB ILE A 8 0.992 11.776 18.460 1.00 34.31 C ATOM 115 CG1 ILE A 8 2.111 12.744 18.943 1.00 34.44 C ATOM 116 CG2 ILE A 8 0.852 10.576 19.430 1.00 65.23 C ATOM 117 CD1 ILE A 8 1.853 13.379 20.303 1.00 41.42 C ATOM 0 H ILE A 8 1.050 13.364 16.528 1.00 50.44 H new ATOM 0 HA ILE A 8 2.230 10.866 16.879 1.00 32.30 H new ATOM 0 HB ILE A 8 0.044 12.314 18.468 1.00 34.31 H new ATOM 0 HG12 ILE A 8 3.053 12.198 18.984 1.00 34.44 H new ATOM 0 HG13 ILE A 8 2.233 13.536 18.204 1.00 34.44 H new ATOM 0 HG21 ILE A 8 0.684 10.944 20.442 1.00 65.23 H new ATOM 0 HG22 ILE A 8 0.008 9.957 19.124 1.00 65.23 H new ATOM 0 HG23 ILE A 8 1.765 9.981 19.407 1.00 65.23 H new ATOM 0 HD11 ILE A 8 2.682 14.038 20.560 1.00 41.42 H new ATOM 0 HD12 ILE A 8 0.929 13.956 20.266 1.00 41.42 H new ATOM 0 HD13 ILE A 8 1.762 12.598 21.058 1.00 41.42 H new ATOM 129 N ASN A 9 -1.088 10.729 16.518 1.00 13.03 N ATOM 130 CA ASN A 9 -2.275 9.887 16.302 1.00 72.25 C ATOM 131 C ASN A 9 -2.189 9.152 14.972 1.00 34.33 C ATOM 132 O ASN A 9 -2.308 7.927 14.934 1.00 64.22 O ATOM 133 CB ASN A 9 -3.583 10.738 16.354 1.00 70.42 C ATOM 134 CG ASN A 9 -3.983 11.221 17.757 1.00 4.44 C ATOM 135 OD1 ASN A 9 -3.021 11.488 18.641 1.00 72.43 O flip ATOM 136 ND2 ASN A 9 -5.171 11.369 18.046 1.00 64.10 N flip ATOM 0 H ASN A 9 -1.310 11.720 16.612 1.00 13.03 H new ATOM 0 HA ASN A 9 -2.305 9.152 17.106 1.00 72.25 H new ATOM 0 HB2 ASN A 9 -3.460 11.607 15.707 1.00 70.42 H new ATOM 0 HB3 ASN A 9 -4.401 10.147 15.942 1.00 70.42 H new ATOM 0 HD21 ASN A 9 -5.893 11.160 17.357 1.00 64.10 H new ATOM 0 HD22 ASN A 9 -5.433 11.701 18.974 1.00 64.10 H new ATOM 143 N ARG A 10 -1.944 9.911 13.895 1.00 52.14 N ATOM 144 CA ARG A 10 -2.035 9.386 12.527 1.00 4.32 C ATOM 145 C ARG A 10 -0.845 8.484 12.171 1.00 63.31 C ATOM 146 O ARG A 10 -1.034 7.548 11.414 1.00 73.41 O ATOM 147 CB ARG A 10 -2.208 10.520 11.501 1.00 53.42 C ATOM 148 CG ARG A 10 -3.481 11.366 11.707 1.00 71.40 C ATOM 149 CD ARG A 10 -3.613 12.502 10.685 1.00 32.23 C ATOM 150 NE ARG A 10 -2.437 13.397 10.689 1.00 50.10 N ATOM 151 CZ ARG A 10 -2.326 14.539 9.991 1.00 61.21 C ATOM 152 NH1 ARG A 10 -3.316 14.973 9.215 1.00 11.14 N ATOM 153 NH2 ARG A 10 -1.208 15.249 10.072 1.00 21.01 N ATOM 0 H ARG A 10 -1.680 10.895 13.946 1.00 52.14 H new ATOM 0 HA ARG A 10 -2.928 8.762 12.486 1.00 4.32 H new ATOM 0 HB2 ARG A 10 -1.338 11.175 11.549 1.00 53.42 H new ATOM 0 HB3 ARG A 10 -2.229 10.090 10.500 1.00 53.42 H new ATOM 0 HG2 ARG A 10 -4.356 10.719 11.639 1.00 71.40 H new ATOM 0 HG3 ARG A 10 -3.473 11.787 12.712 1.00 71.40 H new ATOM 0 HD2 ARG A 10 -3.742 12.079 9.689 1.00 32.23 H new ATOM 0 HD3 ARG A 10 -4.510 13.082 10.903 1.00 32.23 H new ATOM 0 HE ARG A 10 -1.644 13.125 11.270 1.00 50.10 H new ATOM 0 HH11 ARG A 10 -4.180 14.436 9.142 1.00 11.14 H new ATOM 0 HH12 ARG A 10 -3.211 15.843 8.693 1.00 11.14 H new ATOM 0 HH21 ARG A 10 -0.441 14.926 10.661 1.00 21.01 H new ATOM 0 HH22 ARG A 10 -1.116 16.117 9.545 1.00 21.01 H new ATOM 167 N TRP A 11 0.369 8.748 12.720 1.00 24.20 N ATOM 168 CA TRP A 11 1.516 7.815 12.559 1.00 71.10 C ATOM 169 C TRP A 11 1.215 6.469 13.251 1.00 41.24 C ATOM 170 O TRP A 11 1.564 5.401 12.723 1.00 10.25 O ATOM 171 CB TRP A 11 2.858 8.397 13.093 1.00 54.13 C ATOM 172 CG TRP A 11 3.552 9.376 12.158 1.00 3.41 C ATOM 173 CD1 TRP A 11 3.835 10.686 12.401 1.00 23.25 C ATOM 174 CD2 TRP A 11 4.066 9.106 10.837 1.00 61.12 C ATOM 175 NE1 TRP A 11 4.488 11.240 11.333 1.00 72.11 N ATOM 176 CE2 TRP A 11 4.645 10.298 10.364 1.00 62.55 C ATOM 177 CE3 TRP A 11 4.105 7.974 10.015 1.00 34.52 C ATOM 178 CZ2 TRP A 11 5.251 10.396 9.118 1.00 33.13 C ATOM 179 CZ3 TRP A 11 4.697 8.075 8.768 1.00 15.42 C ATOM 180 CH2 TRP A 11 5.266 9.279 8.333 1.00 1.31 C ATOM 0 H TRP A 11 0.578 9.583 13.268 1.00 24.20 H new ATOM 0 HA TRP A 11 1.640 7.662 11.487 1.00 71.10 H new ATOM 0 HB2 TRP A 11 2.667 8.898 14.042 1.00 54.13 H new ATOM 0 HB3 TRP A 11 3.538 7.571 13.299 1.00 54.13 H new ATOM 0 HD1 TRP A 11 3.580 11.213 13.308 1.00 23.25 H new ATOM 0 HE1 TRP A 11 4.807 12.207 11.273 1.00 72.11 H new ATOM 0 HE3 TRP A 11 3.681 7.038 10.348 1.00 34.52 H new ATOM 0 HZ2 TRP A 11 5.694 11.322 8.782 1.00 33.13 H new ATOM 0 HZ3 TRP A 11 4.721 7.212 8.120 1.00 15.42 H new ATOM 0 HH2 TRP A 11 5.726 9.325 7.357 1.00 1.31 H new ATOM 191 N GLN A 12 0.555 6.538 14.434 1.00 2.44 N ATOM 192 CA GLN A 12 0.081 5.340 15.147 1.00 20.24 C ATOM 193 C GLN A 12 -0.939 4.582 14.283 1.00 0.53 C ATOM 194 O GLN A 12 -0.885 3.352 14.200 1.00 23.43 O ATOM 195 CB GLN A 12 -0.548 5.698 16.522 1.00 72.23 C ATOM 196 CG GLN A 12 -1.013 4.465 17.338 1.00 2.22 C ATOM 197 CD GLN A 12 -1.711 4.811 18.654 1.00 43.13 C ATOM 198 OE1 GLN A 12 -2.351 5.847 18.785 1.00 34.25 O ATOM 199 NE2 GLN A 12 -1.619 3.928 19.628 1.00 70.33 N ATOM 0 H GLN A 12 0.342 7.415 14.909 1.00 2.44 H new ATOM 0 HA GLN A 12 0.945 4.703 15.334 1.00 20.24 H new ATOM 0 HB2 GLN A 12 0.180 6.257 17.110 1.00 72.23 H new ATOM 0 HB3 GLN A 12 -1.401 6.357 16.360 1.00 72.23 H new ATOM 0 HG2 GLN A 12 -1.692 3.872 16.725 1.00 2.22 H new ATOM 0 HG3 GLN A 12 -0.148 3.838 17.553 1.00 2.22 H new ATOM 0 HE21 GLN A 12 -1.079 3.073 19.492 1.00 70.33 H new ATOM 0 HE22 GLN A 12 -2.087 4.099 20.518 1.00 70.33 H new ATOM 208 N ARG A 13 -1.849 5.345 13.616 1.00 60.42 N ATOM 209 CA ARG A 13 -2.854 4.768 12.706 1.00 22.35 C ATOM 210 C ARG A 13 -2.149 4.010 11.574 1.00 74.23 C ATOM 211 O ARG A 13 -2.451 2.857 11.349 1.00 24.02 O ATOM 212 CB ARG A 13 -3.799 5.848 12.096 1.00 33.44 C ATOM 213 CG ARG A 13 -4.583 6.718 13.107 1.00 3.12 C ATOM 214 CD ARG A 13 -5.381 5.916 14.146 1.00 11.20 C ATOM 215 NE ARG A 13 -6.158 6.809 15.025 1.00 54.35 N ATOM 216 CZ ARG A 13 -6.603 6.515 16.257 1.00 11.11 C ATOM 217 NH1 ARG A 13 -6.358 5.336 16.827 1.00 24.24 N ATOM 218 NH2 ARG A 13 -7.327 7.407 16.915 1.00 64.41 N ATOM 0 H ARG A 13 -1.899 6.360 13.698 1.00 60.42 H new ATOM 0 HA ARG A 13 -3.471 4.089 13.295 1.00 22.35 H new ATOM 0 HB2 ARG A 13 -3.203 6.508 11.465 1.00 33.44 H new ATOM 0 HB3 ARG A 13 -4.516 5.348 11.446 1.00 33.44 H new ATOM 0 HG2 ARG A 13 -3.882 7.369 13.629 1.00 3.12 H new ATOM 0 HG3 ARG A 13 -5.269 7.363 12.558 1.00 3.12 H new ATOM 0 HD2 ARG A 13 -6.054 5.225 13.638 1.00 11.20 H new ATOM 0 HD3 ARG A 13 -4.699 5.313 14.746 1.00 11.20 H new ATOM 0 HE ARG A 13 -6.378 7.737 14.663 1.00 54.35 H new ATOM 0 HH11 ARG A 13 -5.820 4.629 16.326 1.00 24.24 H new ATOM 0 HH12 ARG A 13 -6.709 5.140 17.765 1.00 24.24 H new ATOM 0 HH21 ARG A 13 -7.541 8.307 16.485 1.00 64.41 H new ATOM 0 HH22 ARG A 13 -7.670 7.194 17.852 1.00 64.41 H new ATOM 232 N ILE A 14 -1.161 4.672 10.933 1.00 13.52 N ATOM 233 CA ILE A 14 -0.390 4.129 9.786 1.00 22.45 C ATOM 234 C ILE A 14 0.260 2.765 10.132 1.00 55.43 C ATOM 235 O ILE A 14 0.209 1.831 9.324 1.00 43.14 O ATOM 236 CB ILE A 14 0.707 5.179 9.317 1.00 70.20 C ATOM 237 CG1 ILE A 14 0.035 6.465 8.758 1.00 54.24 C ATOM 238 CG2 ILE A 14 1.682 4.600 8.272 1.00 24.02 C ATOM 239 CD1 ILE A 14 0.982 7.616 8.464 1.00 51.51 C ATOM 0 H ILE A 14 -0.870 5.613 11.200 1.00 13.52 H new ATOM 0 HA ILE A 14 -1.084 3.957 8.963 1.00 22.45 H new ATOM 0 HB ILE A 14 1.292 5.428 10.202 1.00 70.20 H new ATOM 0 HG12 ILE A 14 -0.495 6.209 7.841 1.00 54.24 H new ATOM 0 HG13 ILE A 14 -0.713 6.805 9.474 1.00 54.24 H new ATOM 0 HG21 ILE A 14 2.408 5.363 7.990 1.00 24.02 H new ATOM 0 HG22 ILE A 14 2.203 3.742 8.697 1.00 24.02 H new ATOM 0 HG23 ILE A 14 1.125 4.285 7.390 1.00 24.02 H new ATOM 0 HD11 ILE A 14 0.416 8.464 8.079 1.00 51.51 H new ATOM 0 HD12 ILE A 14 1.495 7.908 9.380 1.00 51.51 H new ATOM 0 HD13 ILE A 14 1.716 7.303 7.721 1.00 51.51 H new ATOM 251 N ALA A 15 0.818 2.659 11.357 1.00 61.02 N ATOM 252 CA ALA A 15 1.445 1.416 11.860 1.00 30.24 C ATOM 253 C ALA A 15 0.408 0.283 12.020 1.00 22.30 C ATOM 254 O ALA A 15 0.643 -0.852 11.589 1.00 0.45 O ATOM 255 CB ALA A 15 2.148 1.675 13.198 1.00 5.14 C ATOM 0 H ALA A 15 0.847 3.430 12.024 1.00 61.02 H new ATOM 0 HA ALA A 15 2.182 1.098 11.123 1.00 30.24 H new ATOM 0 HB1 ALA A 15 2.604 0.751 13.554 1.00 5.14 H new ATOM 0 HB2 ALA A 15 2.920 2.432 13.063 1.00 5.14 H new ATOM 0 HB3 ALA A 15 1.420 2.026 13.929 1.00 5.14 H new ATOM 261 N LEU A 16 -0.743 0.621 12.637 1.00 30.32 N ATOM 262 CA LEU A 16 -1.833 -0.339 12.904 1.00 53.34 C ATOM 263 C LEU A 16 -2.519 -0.782 11.592 1.00 50.23 C ATOM 264 O LEU A 16 -2.905 -1.944 11.451 1.00 23.13 O ATOM 265 CB LEU A 16 -2.871 0.283 13.884 1.00 21.34 C ATOM 266 CG LEU A 16 -2.327 0.689 15.293 1.00 35.21 C ATOM 267 CD1 LEU A 16 -3.418 1.370 16.145 1.00 50.45 C ATOM 268 CD2 LEU A 16 -1.709 -0.518 16.028 1.00 44.02 C ATOM 0 H LEU A 16 -0.942 1.566 12.964 1.00 30.32 H new ATOM 0 HA LEU A 16 -1.400 -1.225 13.369 1.00 53.34 H new ATOM 0 HB2 LEU A 16 -3.300 1.168 13.414 1.00 21.34 H new ATOM 0 HB3 LEU A 16 -3.683 -0.430 14.022 1.00 21.34 H new ATOM 0 HG LEU A 16 -1.532 1.419 15.138 1.00 35.21 H new ATOM 0 HD11 LEU A 16 -3.005 1.639 17.117 1.00 50.45 H new ATOM 0 HD12 LEU A 16 -3.767 2.269 15.638 1.00 50.45 H new ATOM 0 HD13 LEU A 16 -4.253 0.684 16.283 1.00 50.45 H new ATOM 0 HD21 LEU A 16 -1.341 -0.200 17.004 1.00 44.02 H new ATOM 0 HD22 LEU A 16 -2.467 -1.291 16.160 1.00 44.02 H new ATOM 0 HD23 LEU A 16 -0.882 -0.917 15.441 1.00 44.02 H new ATOM 280 N LEU A 17 -2.620 0.158 10.628 1.00 73.04 N ATOM 281 CA LEU A 17 -3.284 -0.065 9.333 1.00 51.11 C ATOM 282 C LEU A 17 -2.453 -1.034 8.490 1.00 11.32 C ATOM 283 O LEU A 17 -2.971 -2.067 8.077 1.00 10.35 O ATOM 284 CB LEU A 17 -3.518 1.278 8.569 1.00 63.20 C ATOM 285 CG LEU A 17 -4.559 2.244 9.214 1.00 2.22 C ATOM 286 CD1 LEU A 17 -4.611 3.606 8.492 1.00 24.23 C ATOM 287 CD2 LEU A 17 -5.949 1.592 9.295 1.00 23.44 C ATOM 0 H LEU A 17 -2.239 1.099 10.731 1.00 73.04 H new ATOM 0 HA LEU A 17 -4.265 -0.503 9.519 1.00 51.11 H new ATOM 0 HB2 LEU A 17 -2.565 1.801 8.488 1.00 63.20 H new ATOM 0 HB3 LEU A 17 -3.842 1.047 7.554 1.00 63.20 H new ATOM 0 HG LEU A 17 -4.227 2.441 10.233 1.00 2.22 H new ATOM 0 HD11 LEU A 17 -5.349 4.246 8.975 1.00 24.23 H new ATOM 0 HD12 LEU A 17 -3.631 4.081 8.541 1.00 24.23 H new ATOM 0 HD13 LEU A 17 -4.889 3.455 7.449 1.00 24.23 H new ATOM 0 HD21 LEU A 17 -6.652 2.290 9.749 1.00 23.44 H new ATOM 0 HD22 LEU A 17 -6.289 1.335 8.292 1.00 23.44 H new ATOM 0 HD23 LEU A 17 -5.892 0.688 9.902 1.00 23.44 H new ATOM 299 N SER A 18 -1.150 -0.705 8.312 1.00 21.13 N ATOM 300 CA SER A 18 -0.197 -1.516 7.528 1.00 70.51 C ATOM 301 C SER A 18 -0.113 -2.950 8.067 1.00 50.23 C ATOM 302 O SER A 18 -0.100 -3.908 7.289 1.00 4.50 O ATOM 303 CB SER A 18 1.201 -0.874 7.554 1.00 60.01 C ATOM 304 OG SER A 18 1.649 -0.656 8.880 1.00 45.44 O ATOM 0 H SER A 18 -0.733 0.135 8.712 1.00 21.13 H new ATOM 0 HA SER A 18 -0.560 -1.552 6.501 1.00 70.51 H new ATOM 0 HB2 SER A 18 1.908 -1.519 7.032 1.00 60.01 H new ATOM 0 HB3 SER A 18 1.177 0.074 7.017 1.00 60.01 H new ATOM 0 HG SER A 18 1.245 0.165 9.231 1.00 45.44 H new ATOM 310 N GLN A 19 -0.051 -3.061 9.405 1.00 24.42 N ATOM 311 CA GLN A 19 -0.047 -4.342 10.126 1.00 41.44 C ATOM 312 C GLN A 19 -1.284 -5.185 9.753 1.00 23.35 C ATOM 313 O GLN A 19 -1.150 -6.343 9.316 1.00 74.22 O ATOM 314 CB GLN A 19 -0.012 -4.061 11.650 1.00 51.13 C ATOM 315 CG GLN A 19 0.033 -5.309 12.551 1.00 21.20 C ATOM 316 CD GLN A 19 0.072 -4.992 14.052 1.00 51.22 C ATOM 317 OE1 GLN A 19 -0.588 -3.913 14.470 1.00 40.54 O flip ATOM 318 NE2 GLN A 19 0.657 -5.737 14.839 1.00 64.33 N flip ATOM 0 H GLN A 19 -0.002 -2.251 10.023 1.00 24.42 H new ATOM 0 HA GLN A 19 0.836 -4.914 9.843 1.00 41.44 H new ATOM 0 HB2 GLN A 19 0.860 -3.444 11.869 1.00 51.13 H new ATOM 0 HB3 GLN A 19 -0.892 -3.474 11.914 1.00 51.13 H new ATOM 0 HG2 GLN A 19 -0.841 -5.927 12.343 1.00 21.20 H new ATOM 0 HG3 GLN A 19 0.911 -5.901 12.292 1.00 21.20 H new ATOM 0 HE21 GLN A 19 1.155 -6.557 14.491 1.00 64.33 H new ATOM 0 HE22 GLN A 19 0.644 -5.534 15.839 1.00 64.33 H new ATOM 327 N SER A 20 -2.472 -4.554 9.869 1.00 1.03 N ATOM 328 CA SER A 20 -3.763 -5.207 9.620 1.00 15.43 C ATOM 329 C SER A 20 -3.853 -5.716 8.175 1.00 10.42 C ATOM 330 O SER A 20 -3.994 -6.917 7.952 1.00 11.52 O ATOM 331 CB SER A 20 -4.935 -4.240 9.922 1.00 40.14 C ATOM 332 OG SER A 20 -4.916 -3.827 11.276 1.00 71.24 O ATOM 0 H SER A 20 -2.557 -3.574 10.139 1.00 1.03 H new ATOM 0 HA SER A 20 -3.838 -6.063 10.290 1.00 15.43 H new ATOM 0 HB2 SER A 20 -4.869 -3.368 9.271 1.00 40.14 H new ATOM 0 HB3 SER A 20 -5.883 -4.731 9.701 1.00 40.14 H new ATOM 0 HG SER A 20 -4.294 -3.077 11.380 1.00 71.24 H new ATOM 338 N LEU A 21 -3.703 -4.792 7.204 1.00 44.02 N ATOM 339 CA LEU A 21 -3.897 -5.087 5.775 1.00 14.40 C ATOM 340 C LEU A 21 -2.818 -6.032 5.219 1.00 63.41 C ATOM 341 O LEU A 21 -3.046 -6.687 4.205 1.00 4.45 O ATOM 342 CB LEU A 21 -4.032 -3.771 4.947 1.00 55.53 C ATOM 343 CG LEU A 21 -2.881 -2.708 5.046 1.00 73.34 C ATOM 344 CD1 LEU A 21 -1.616 -3.126 4.302 1.00 52.42 C ATOM 345 CD2 LEU A 21 -3.340 -1.314 4.584 1.00 43.32 C ATOM 0 H LEU A 21 -3.444 -3.823 7.391 1.00 44.02 H new ATOM 0 HA LEU A 21 -4.838 -5.628 5.676 1.00 14.40 H new ATOM 0 HB2 LEU A 21 -4.140 -4.048 3.898 1.00 55.53 H new ATOM 0 HB3 LEU A 21 -4.961 -3.284 5.245 1.00 55.53 H new ATOM 0 HG LEU A 21 -2.629 -2.652 6.105 1.00 73.34 H new ATOM 0 HD11 LEU A 21 -0.858 -2.350 4.408 1.00 52.42 H new ATOM 0 HD12 LEU A 21 -1.240 -4.060 4.720 1.00 52.42 H new ATOM 0 HD13 LEU A 21 -1.845 -3.267 3.246 1.00 52.42 H new ATOM 0 HD21 LEU A 21 -2.511 -0.611 4.670 1.00 43.32 H new ATOM 0 HD22 LEU A 21 -3.667 -1.364 3.545 1.00 43.32 H new ATOM 0 HD23 LEU A 21 -4.167 -0.978 5.209 1.00 43.32 H new ATOM 357 N LEU A 22 -1.644 -6.086 5.889 1.00 44.13 N ATOM 358 CA LEU A 22 -0.586 -7.064 5.573 1.00 74.51 C ATOM 359 C LEU A 22 -1.105 -8.474 5.850 1.00 52.22 C ATOM 360 O LEU A 22 -0.970 -9.385 5.018 1.00 32.04 O ATOM 361 CB LEU A 22 0.687 -6.817 6.421 1.00 34.32 C ATOM 362 CG LEU A 22 1.822 -7.877 6.250 1.00 33.14 C ATOM 363 CD1 LEU A 22 2.378 -7.874 4.812 1.00 32.42 C ATOM 364 CD2 LEU A 22 2.927 -7.682 7.297 1.00 11.30 C ATOM 0 H LEU A 22 -1.408 -5.457 6.657 1.00 44.13 H new ATOM 0 HA LEU A 22 -0.323 -6.952 4.521 1.00 74.51 H new ATOM 0 HB2 LEU A 22 1.088 -5.836 6.166 1.00 34.32 H new ATOM 0 HB3 LEU A 22 0.401 -6.782 7.472 1.00 34.32 H new ATOM 0 HG LEU A 22 1.390 -8.863 6.422 1.00 33.14 H new ATOM 0 HD11 LEU A 22 3.166 -8.622 4.725 1.00 32.42 H new ATOM 0 HD12 LEU A 22 1.576 -8.108 4.111 1.00 32.42 H new ATOM 0 HD13 LEU A 22 2.785 -6.890 4.581 1.00 32.42 H new ATOM 0 HD21 LEU A 22 3.702 -8.434 7.152 1.00 11.30 H new ATOM 0 HD22 LEU A 22 3.361 -6.688 7.187 1.00 11.30 H new ATOM 0 HD23 LEU A 22 2.504 -7.785 8.296 1.00 11.30 H new ATOM 376 N GLU A 23 -1.689 -8.628 7.052 1.00 20.41 N ATOM 377 CA GLU A 23 -2.300 -9.886 7.490 1.00 32.32 C ATOM 378 C GLU A 23 -3.497 -10.243 6.593 1.00 64.13 C ATOM 379 O GLU A 23 -3.670 -11.394 6.240 1.00 53.11 O ATOM 380 CB GLU A 23 -2.688 -9.784 8.986 1.00 42.02 C ATOM 381 CG GLU A 23 -1.470 -9.525 9.898 1.00 51.41 C ATOM 382 CD GLU A 23 -1.837 -9.292 11.370 1.00 2.24 C ATOM 383 OE1 GLU A 23 -1.887 -10.273 12.139 1.00 23.12 O ATOM 384 OE2 GLU A 23 -2.066 -8.128 11.763 1.00 22.14 O ATOM 0 H GLU A 23 -1.748 -7.881 7.744 1.00 20.41 H new ATOM 0 HA GLU A 23 -1.581 -10.699 7.392 1.00 32.32 H new ATOM 0 HB2 GLU A 23 -3.412 -8.980 9.116 1.00 42.02 H new ATOM 0 HB3 GLU A 23 -3.178 -10.707 9.294 1.00 42.02 H new ATOM 0 HG2 GLU A 23 -0.791 -10.376 9.833 1.00 51.41 H new ATOM 0 HG3 GLU A 23 -0.928 -8.655 9.526 1.00 51.41 H new ATOM 391 N LEU A 24 -4.255 -9.223 6.159 1.00 72.22 N ATOM 392 CA LEU A 24 -5.426 -9.394 5.268 1.00 21.43 C ATOM 393 C LEU A 24 -4.996 -9.795 3.837 1.00 11.41 C ATOM 394 O LEU A 24 -5.710 -10.538 3.155 1.00 53.24 O ATOM 395 CB LEU A 24 -6.263 -8.083 5.263 1.00 61.32 C ATOM 396 CG LEU A 24 -6.790 -7.642 6.668 1.00 44.11 C ATOM 397 CD1 LEU A 24 -7.402 -6.226 6.642 1.00 12.32 C ATOM 398 CD2 LEU A 24 -7.768 -8.683 7.248 1.00 21.45 C ATOM 0 H LEU A 24 -4.077 -8.252 6.414 1.00 72.22 H new ATOM 0 HA LEU A 24 -6.043 -10.208 5.648 1.00 21.43 H new ATOM 0 HB2 LEU A 24 -5.653 -7.280 4.850 1.00 61.32 H new ATOM 0 HB3 LEU A 24 -7.114 -8.213 4.595 1.00 61.32 H new ATOM 0 HG LEU A 24 -5.930 -7.593 7.336 1.00 44.11 H new ATOM 0 HD11 LEU A 24 -7.754 -5.963 7.640 1.00 12.32 H new ATOM 0 HD12 LEU A 24 -6.646 -5.509 6.324 1.00 12.32 H new ATOM 0 HD13 LEU A 24 -8.239 -6.204 5.944 1.00 12.32 H new ATOM 0 HD21 LEU A 24 -8.117 -8.349 8.225 1.00 21.45 H new ATOM 0 HD22 LEU A 24 -8.620 -8.796 6.577 1.00 21.45 H new ATOM 0 HD23 LEU A 24 -7.259 -9.641 7.353 1.00 21.45 H new ATOM 410 N ALA A 25 -3.806 -9.314 3.414 1.00 1.30 N ATOM 411 CA ALA A 25 -3.229 -9.606 2.087 1.00 20.21 C ATOM 412 C ALA A 25 -2.760 -11.071 1.999 1.00 42.44 C ATOM 413 O ALA A 25 -3.039 -11.762 1.015 1.00 62.12 O ATOM 414 CB ALA A 25 -2.057 -8.651 1.784 1.00 0.11 C ATOM 0 H ALA A 25 -3.218 -8.710 3.988 1.00 1.30 H new ATOM 0 HA ALA A 25 -4.008 -9.451 1.341 1.00 20.21 H new ATOM 0 HB1 ALA A 25 -1.644 -8.881 0.802 1.00 0.11 H new ATOM 0 HB2 ALA A 25 -2.415 -7.621 1.795 1.00 0.11 H new ATOM 0 HB3 ALA A 25 -1.282 -8.774 2.541 1.00 0.11 H new ATOM 420 N GLN A 26 -2.048 -11.539 3.049 1.00 54.55 N ATOM 421 CA GLN A 26 -1.539 -12.929 3.122 1.00 54.41 C ATOM 422 C GLN A 26 -2.696 -13.921 3.370 1.00 60.10 C ATOM 423 O GLN A 26 -2.616 -15.092 2.979 1.00 33.44 O ATOM 424 CB GLN A 26 -0.439 -13.060 4.214 1.00 14.23 C ATOM 425 CG GLN A 26 -0.932 -12.826 5.648 1.00 31.44 C ATOM 426 CD GLN A 26 0.184 -12.865 6.684 1.00 42.13 C ATOM 427 OE1 GLN A 26 0.494 -13.920 7.231 1.00 21.11 O ATOM 428 NE2 GLN A 26 0.801 -11.716 6.954 1.00 63.52 N ATOM 0 H GLN A 26 -1.811 -10.971 3.862 1.00 54.55 H new ATOM 0 HA GLN A 26 -1.084 -13.178 2.163 1.00 54.41 H new ATOM 0 HB2 GLN A 26 -0.001 -14.056 4.152 1.00 14.23 H new ATOM 0 HB3 GLN A 26 0.357 -12.348 3.997 1.00 14.23 H new ATOM 0 HG2 GLN A 26 -1.432 -11.859 5.699 1.00 31.44 H new ATOM 0 HG3 GLN A 26 -1.676 -13.583 5.897 1.00 31.44 H new ATOM 0 HE21 GLN A 26 0.515 -10.860 6.479 1.00 63.52 H new ATOM 0 HE22 GLN A 26 1.559 -11.692 7.636 1.00 63.52 H new ATOM 437 N ARG A 27 -3.767 -13.438 4.037 1.00 15.12 N ATOM 438 CA ARG A 27 -5.031 -14.187 4.205 1.00 31.45 C ATOM 439 C ARG A 27 -5.762 -14.321 2.851 1.00 53.25 C ATOM 440 O ARG A 27 -6.530 -15.264 2.647 1.00 5.23 O ATOM 441 CB ARG A 27 -5.943 -13.470 5.246 1.00 54.33 C ATOM 442 CG ARG A 27 -5.540 -13.656 6.732 1.00 35.14 C ATOM 443 CD ARG A 27 -5.978 -15.007 7.312 1.00 72.35 C ATOM 444 NE ARG A 27 -7.454 -15.119 7.363 1.00 63.23 N ATOM 445 CZ ARG A 27 -8.178 -15.471 8.445 1.00 43.01 C ATOM 446 NH1 ARG A 27 -7.590 -15.766 9.601 1.00 1.22 N ATOM 447 NH2 ARG A 27 -9.497 -15.537 8.365 1.00 42.02 N ATOM 0 H ARG A 27 -3.779 -12.517 4.474 1.00 15.12 H new ATOM 0 HA ARG A 27 -4.799 -15.187 4.571 1.00 31.45 H new ATOM 0 HB2 ARG A 27 -5.951 -12.403 5.021 1.00 54.33 H new ATOM 0 HB3 ARG A 27 -6.964 -13.831 5.117 1.00 54.33 H new ATOM 0 HG2 ARG A 27 -4.458 -13.563 6.823 1.00 35.14 H new ATOM 0 HG3 ARG A 27 -5.980 -12.854 7.324 1.00 35.14 H new ATOM 0 HD2 ARG A 27 -5.571 -15.815 6.704 1.00 72.35 H new ATOM 0 HD3 ARG A 27 -5.568 -15.125 8.315 1.00 72.35 H new ATOM 0 HE ARG A 27 -7.967 -14.912 6.506 1.00 63.23 H new ATOM 0 HH11 ARG A 27 -6.574 -15.728 9.681 1.00 1.22 H new ATOM 0 HH12 ARG A 27 -8.155 -16.030 10.408 1.00 1.22 H new ATOM 0 HH21 ARG A 27 -9.966 -15.322 7.485 1.00 42.02 H new ATOM 0 HH22 ARG A 27 -10.045 -15.803 9.183 1.00 42.02 H new ATOM 461 N GLY A 28 -5.502 -13.365 1.937 1.00 42.42 N ATOM 462 CA GLY A 28 -6.103 -13.360 0.598 1.00 14.11 C ATOM 463 C GLY A 28 -7.393 -12.563 0.530 1.00 31.00 C ATOM 464 O GLY A 28 -8.054 -12.548 -0.514 1.00 15.33 O ATOM 0 H GLY A 28 -4.873 -12.581 2.109 1.00 42.42 H new ATOM 0 HA2 GLY A 28 -5.389 -12.946 -0.113 1.00 14.11 H new ATOM 0 HA3 GLY A 28 -6.300 -14.387 0.290 1.00 14.11 H new ATOM 468 N GLU A 29 -7.772 -11.927 1.655 1.00 14.44 N ATOM 469 CA GLU A 29 -8.921 -11.017 1.713 1.00 71.22 C ATOM 470 C GLU A 29 -8.542 -9.678 1.067 1.00 5.35 C ATOM 471 O GLU A 29 -8.151 -8.726 1.753 1.00 72.25 O ATOM 472 CB GLU A 29 -9.423 -10.821 3.179 1.00 3.25 C ATOM 473 CG GLU A 29 -10.318 -11.955 3.735 1.00 5.45 C ATOM 474 CD GLU A 29 -9.592 -13.292 3.977 1.00 34.44 C ATOM 475 OE1 GLU A 29 -9.439 -14.088 3.024 1.00 15.42 O ATOM 476 OE2 GLU A 29 -9.200 -13.570 5.135 1.00 12.33 O ATOM 0 H GLU A 29 -7.287 -12.033 2.546 1.00 14.44 H new ATOM 0 HA GLU A 29 -9.748 -11.458 1.156 1.00 71.22 H new ATOM 0 HB2 GLU A 29 -8.555 -10.714 3.830 1.00 3.25 H new ATOM 0 HB3 GLU A 29 -9.978 -9.885 3.232 1.00 3.25 H new ATOM 0 HG2 GLU A 29 -10.760 -11.622 4.674 1.00 5.45 H new ATOM 0 HG3 GLU A 29 -11.139 -12.125 3.039 1.00 5.45 H new ATOM 483 N TRP A 30 -8.628 -9.646 -0.278 1.00 34.15 N ATOM 484 CA TRP A 30 -8.319 -8.453 -1.085 1.00 73.13 C ATOM 485 C TRP A 30 -9.318 -7.331 -0.791 1.00 55.41 C ATOM 486 O TRP A 30 -8.985 -6.162 -0.899 1.00 34.41 O ATOM 487 CB TRP A 30 -8.317 -8.792 -2.600 1.00 24.51 C ATOM 488 CG TRP A 30 -7.464 -9.995 -2.959 1.00 31.20 C ATOM 489 CD1 TRP A 30 -7.855 -11.103 -3.667 1.00 41.42 C ATOM 490 CD2 TRP A 30 -6.088 -10.224 -2.595 1.00 71.23 C ATOM 491 NE1 TRP A 30 -6.812 -11.986 -3.776 1.00 45.23 N ATOM 492 CE2 TRP A 30 -5.721 -11.472 -3.124 1.00 33.33 C ATOM 493 CE3 TRP A 30 -5.128 -9.488 -1.886 1.00 32.32 C ATOM 494 CZ2 TRP A 30 -4.444 -11.994 -2.975 1.00 51.35 C ATOM 495 CZ3 TRP A 30 -3.868 -10.019 -1.719 1.00 13.02 C ATOM 496 CH2 TRP A 30 -3.534 -11.260 -2.262 1.00 61.32 C ATOM 0 H TRP A 30 -8.915 -10.451 -0.835 1.00 34.15 H new ATOM 0 HA TRP A 30 -7.321 -8.111 -0.811 1.00 73.13 H new ATOM 0 HB2 TRP A 30 -9.342 -8.976 -2.923 1.00 24.51 H new ATOM 0 HB3 TRP A 30 -7.959 -7.926 -3.156 1.00 24.51 H new ATOM 0 HD1 TRP A 30 -8.841 -11.257 -4.079 1.00 41.42 H new ATOM 0 HE1 TRP A 30 -6.843 -12.881 -4.264 1.00 45.23 H new ATOM 0 HE3 TRP A 30 -5.373 -8.519 -1.477 1.00 32.32 H new ATOM 0 HZ2 TRP A 30 -4.177 -12.947 -3.407 1.00 51.35 H new ATOM 0 HZ3 TRP A 30 -3.128 -9.466 -1.159 1.00 13.02 H new ATOM 0 HH2 TRP A 30 -2.537 -11.650 -2.117 1.00 61.32 H new ATOM 507 N ASP A 31 -10.541 -7.734 -0.413 1.00 5.31 N ATOM 508 CA ASP A 31 -11.622 -6.827 0.002 1.00 32.51 C ATOM 509 C ASP A 31 -11.188 -5.983 1.204 1.00 32.31 C ATOM 510 O ASP A 31 -11.272 -4.753 1.180 1.00 31.42 O ATOM 511 CB ASP A 31 -12.887 -7.654 0.365 1.00 54.32 C ATOM 512 CG ASP A 31 -13.386 -8.505 -0.812 1.00 34.13 C ATOM 513 OD1 ASP A 31 -12.808 -9.593 -1.054 1.00 50.45 O ATOM 514 OD2 ASP A 31 -14.327 -8.086 -1.523 1.00 11.41 O ATOM 0 H ASP A 31 -10.811 -8.717 -0.387 1.00 5.31 H new ATOM 0 HA ASP A 31 -11.852 -6.155 -0.825 1.00 32.51 H new ATOM 0 HB2 ASP A 31 -12.663 -8.304 1.211 1.00 54.32 H new ATOM 0 HB3 ASP A 31 -13.681 -6.978 0.684 1.00 54.32 H new ATOM 519 N LEU A 32 -10.682 -6.673 2.232 1.00 53.15 N ATOM 520 CA LEU A 32 -10.288 -6.055 3.505 1.00 62.24 C ATOM 521 C LEU A 32 -8.957 -5.287 3.361 1.00 0.21 C ATOM 522 O LEU A 32 -8.767 -4.250 3.999 1.00 63.42 O ATOM 523 CB LEU A 32 -10.217 -7.140 4.611 1.00 41.23 C ATOM 524 CG LEU A 32 -11.541 -7.923 4.888 1.00 23.41 C ATOM 525 CD1 LEU A 32 -11.364 -8.931 6.043 1.00 50.54 C ATOM 526 CD2 LEU A 32 -12.722 -6.963 5.155 1.00 61.53 C ATOM 0 H LEU A 32 -10.533 -7.682 2.205 1.00 53.15 H new ATOM 0 HA LEU A 32 -11.041 -5.322 3.795 1.00 62.24 H new ATOM 0 HB2 LEU A 32 -9.444 -7.858 4.339 1.00 41.23 H new ATOM 0 HB3 LEU A 32 -9.898 -6.665 5.539 1.00 41.23 H new ATOM 0 HG LEU A 32 -11.780 -8.490 3.988 1.00 23.41 H new ATOM 0 HD11 LEU A 32 -12.302 -9.460 6.211 1.00 50.54 H new ATOM 0 HD12 LEU A 32 -10.585 -9.648 5.784 1.00 50.54 H new ATOM 0 HD13 LEU A 32 -11.080 -8.398 6.950 1.00 50.54 H new ATOM 0 HD21 LEU A 32 -13.626 -7.542 5.344 1.00 61.53 H new ATOM 0 HD22 LEU A 32 -12.499 -6.345 6.025 1.00 61.53 H new ATOM 0 HD23 LEU A 32 -12.875 -6.324 4.285 1.00 61.53 H new ATOM 538 N LEU A 33 -8.054 -5.804 2.502 1.00 75.13 N ATOM 539 CA LEU A 33 -6.797 -5.122 2.114 1.00 15.20 C ATOM 540 C LEU A 33 -7.099 -3.741 1.480 1.00 74.51 C ATOM 541 O LEU A 33 -6.567 -2.720 1.919 1.00 4.43 O ATOM 542 CB LEU A 33 -5.998 -6.006 1.109 1.00 44.15 C ATOM 543 CG LEU A 33 -4.735 -5.351 0.444 1.00 21.35 C ATOM 544 CD1 LEU A 33 -3.630 -5.044 1.470 1.00 75.14 C ATOM 545 CD2 LEU A 33 -4.196 -6.221 -0.705 1.00 11.02 C ATOM 0 H LEU A 33 -8.175 -6.712 2.054 1.00 75.13 H new ATOM 0 HA LEU A 33 -6.196 -4.968 3.010 1.00 15.20 H new ATOM 0 HB2 LEU A 33 -5.679 -6.909 1.629 1.00 44.15 H new ATOM 0 HB3 LEU A 33 -6.677 -6.318 0.316 1.00 44.15 H new ATOM 0 HG LEU A 33 -5.057 -4.397 0.026 1.00 21.35 H new ATOM 0 HD11 LEU A 33 -2.778 -4.592 0.963 1.00 75.14 H new ATOM 0 HD12 LEU A 33 -4.013 -4.353 2.221 1.00 75.14 H new ATOM 0 HD13 LEU A 33 -3.316 -5.969 1.954 1.00 75.14 H new ATOM 0 HD21 LEU A 33 -3.322 -5.741 -1.145 1.00 11.02 H new ATOM 0 HD22 LEU A 33 -3.916 -7.201 -0.319 1.00 11.02 H new ATOM 0 HD23 LEU A 33 -4.968 -6.338 -1.466 1.00 11.02 H new ATOM 557 N LEU A 34 -7.983 -3.744 0.459 1.00 34.33 N ATOM 558 CA LEU A 34 -8.379 -2.532 -0.293 1.00 13.34 C ATOM 559 C LEU A 34 -9.237 -1.585 0.562 1.00 41.11 C ATOM 560 O LEU A 34 -9.245 -0.369 0.335 1.00 33.44 O ATOM 561 CB LEU A 34 -9.126 -2.926 -1.590 1.00 45.24 C ATOM 562 CG LEU A 34 -8.259 -3.654 -2.662 1.00 10.25 C ATOM 563 CD1 LEU A 34 -9.131 -4.170 -3.825 1.00 24.52 C ATOM 564 CD2 LEU A 34 -7.112 -2.743 -3.159 1.00 34.43 C ATOM 0 H LEU A 34 -8.445 -4.592 0.131 1.00 34.33 H new ATOM 0 HA LEU A 34 -7.469 -1.994 -0.559 1.00 13.34 H new ATOM 0 HB2 LEU A 34 -9.964 -3.570 -1.326 1.00 45.24 H new ATOM 0 HB3 LEU A 34 -9.545 -2.024 -2.037 1.00 45.24 H new ATOM 0 HG LEU A 34 -7.800 -4.525 -2.194 1.00 10.25 H new ATOM 0 HD11 LEU A 34 -8.500 -4.673 -4.557 1.00 24.52 H new ATOM 0 HD12 LEU A 34 -9.872 -4.872 -3.441 1.00 24.52 H new ATOM 0 HD13 LEU A 34 -9.639 -3.330 -4.300 1.00 24.52 H new ATOM 0 HD21 LEU A 34 -6.523 -3.275 -3.906 1.00 34.43 H new ATOM 0 HD22 LEU A 34 -7.531 -1.840 -3.603 1.00 34.43 H new ATOM 0 HD23 LEU A 34 -6.473 -2.471 -2.319 1.00 34.43 H new ATOM 576 N GLN A 35 -9.954 -2.153 1.546 1.00 52.35 N ATOM 577 CA GLN A 35 -10.703 -1.366 2.535 1.00 25.53 C ATOM 578 C GLN A 35 -9.728 -0.503 3.345 1.00 2.33 C ATOM 579 O GLN A 35 -9.955 0.687 3.550 1.00 71.22 O ATOM 580 CB GLN A 35 -11.503 -2.296 3.487 1.00 24.31 C ATOM 581 CG GLN A 35 -12.328 -1.558 4.567 1.00 12.40 C ATOM 582 CD GLN A 35 -13.460 -0.679 4.019 1.00 5.33 C ATOM 583 OE1 GLN A 35 -13.782 0.360 4.599 1.00 4.04 O ATOM 584 NE2 GLN A 35 -14.109 -1.099 2.939 1.00 42.03 N ATOM 0 H GLN A 35 -10.030 -3.162 1.676 1.00 52.35 H new ATOM 0 HA GLN A 35 -11.410 -0.724 2.010 1.00 25.53 H new ATOM 0 HB2 GLN A 35 -12.177 -2.911 2.891 1.00 24.31 H new ATOM 0 HB3 GLN A 35 -10.807 -2.974 3.981 1.00 24.31 H new ATOM 0 HG2 GLN A 35 -12.755 -2.296 5.246 1.00 12.40 H new ATOM 0 HG3 GLN A 35 -11.655 -0.935 5.156 1.00 12.40 H new ATOM 0 HE21 GLN A 35 -13.824 -1.962 2.476 1.00 42.03 H new ATOM 0 HE22 GLN A 35 -14.892 -0.558 2.572 1.00 42.03 H new ATOM 593 N GLN A 36 -8.623 -1.131 3.770 1.00 34.22 N ATOM 594 CA GLN A 36 -7.588 -0.476 4.575 1.00 71.02 C ATOM 595 C GLN A 36 -6.599 0.319 3.697 1.00 71.03 C ATOM 596 O GLN A 36 -5.817 1.096 4.225 1.00 32.11 O ATOM 597 CB GLN A 36 -6.840 -1.529 5.429 1.00 73.53 C ATOM 598 CG GLN A 36 -7.728 -2.311 6.414 1.00 73.10 C ATOM 599 CD GLN A 36 -8.441 -1.424 7.435 1.00 34.31 C ATOM 600 OE1 GLN A 36 -7.936 -0.381 7.839 1.00 20.10 O ATOM 601 NE2 GLN A 36 -9.617 -1.836 7.867 1.00 12.43 N ATOM 0 H GLN A 36 -8.423 -2.110 3.564 1.00 34.22 H new ATOM 0 HA GLN A 36 -8.076 0.239 5.237 1.00 71.02 H new ATOM 0 HB2 GLN A 36 -6.352 -2.238 4.760 1.00 73.53 H new ATOM 0 HB3 GLN A 36 -6.053 -1.027 5.991 1.00 73.53 H new ATOM 0 HG2 GLN A 36 -8.473 -2.873 5.851 1.00 73.10 H new ATOM 0 HG3 GLN A 36 -7.114 -3.039 6.944 1.00 73.10 H new ATOM 0 HE21 GLN A 36 -10.013 -2.707 7.514 1.00 12.43 H new ATOM 0 HE22 GLN A 36 -10.130 -1.284 8.554 1.00 12.43 H new ATOM 610 N GLU A 37 -6.633 0.097 2.363 1.00 11.44 N ATOM 611 CA GLU A 37 -5.824 0.861 1.376 1.00 42.11 C ATOM 612 C GLU A 37 -6.117 2.367 1.473 1.00 41.30 C ATOM 613 O GLU A 37 -5.192 3.168 1.645 1.00 33.12 O ATOM 614 CB GLU A 37 -6.142 0.383 -0.070 1.00 13.13 C ATOM 615 CG GLU A 37 -5.568 1.271 -1.209 1.00 52.10 C ATOM 616 CD GLU A 37 -6.125 0.945 -2.602 1.00 1.12 C ATOM 617 OE1 GLU A 37 -7.342 0.673 -2.713 1.00 50.00 O ATOM 618 OE2 GLU A 37 -5.386 1.048 -3.601 1.00 64.22 O ATOM 0 H GLU A 37 -7.222 -0.618 1.936 1.00 11.44 H new ATOM 0 HA GLU A 37 -4.773 0.683 1.603 1.00 42.11 H new ATOM 0 HB2 GLU A 37 -5.756 -0.629 -0.193 1.00 13.13 H new ATOM 0 HB3 GLU A 37 -7.224 0.328 -0.186 1.00 13.13 H new ATOM 0 HG2 GLU A 37 -5.779 2.316 -0.981 1.00 52.10 H new ATOM 0 HG3 GLU A 37 -4.484 1.161 -1.229 1.00 52.10 H new ATOM 625 N VAL A 38 -7.422 2.719 1.346 1.00 32.53 N ATOM 626 CA VAL A 38 -7.877 4.120 1.309 1.00 54.14 C ATOM 627 C VAL A 38 -7.420 4.884 2.564 1.00 13.21 C ATOM 628 O VAL A 38 -6.848 5.970 2.453 1.00 43.21 O ATOM 629 CB VAL A 38 -9.444 4.243 1.114 1.00 22.41 C ATOM 630 CG1 VAL A 38 -9.874 3.713 -0.271 1.00 52.34 C ATOM 631 CG2 VAL A 38 -10.239 3.534 2.236 1.00 22.24 C ATOM 0 H VAL A 38 -8.179 2.040 1.267 1.00 32.53 H new ATOM 0 HA VAL A 38 -7.411 4.578 0.437 1.00 54.14 H new ATOM 0 HB VAL A 38 -9.682 5.305 1.173 1.00 22.41 H new ATOM 0 HG11 VAL A 38 -10.954 3.809 -0.378 1.00 52.34 H new ATOM 0 HG12 VAL A 38 -9.379 4.291 -1.051 1.00 52.34 H new ATOM 0 HG13 VAL A 38 -9.592 2.664 -0.363 1.00 52.34 H new ATOM 0 HG21 VAL A 38 -11.307 3.649 2.053 1.00 22.24 H new ATOM 0 HG22 VAL A 38 -9.985 2.474 2.248 1.00 22.24 H new ATOM 0 HG23 VAL A 38 -9.985 3.979 3.198 1.00 22.24 H new ATOM 641 N SER A 39 -7.600 4.255 3.739 1.00 63.41 N ATOM 642 CA SER A 39 -7.239 4.837 5.028 1.00 63.24 C ATOM 643 C SER A 39 -5.710 4.966 5.157 1.00 34.52 C ATOM 644 O SER A 39 -5.211 6.031 5.497 1.00 22.31 O ATOM 645 CB SER A 39 -7.819 3.976 6.168 1.00 65.42 C ATOM 646 OG SER A 39 -7.458 2.612 6.026 1.00 70.43 O ATOM 0 H SER A 39 -8.004 3.321 3.813 1.00 63.41 H new ATOM 0 HA SER A 39 -7.663 5.839 5.097 1.00 63.24 H new ATOM 0 HB2 SER A 39 -7.460 4.350 7.127 1.00 65.42 H new ATOM 0 HB3 SER A 39 -8.905 4.067 6.177 1.00 65.42 H new ATOM 0 HG SER A 39 -7.840 2.094 6.765 1.00 70.43 H new ATOM 652 N TYR A 40 -4.994 3.873 4.824 1.00 51.21 N ATOM 653 CA TYR A 40 -3.532 3.766 4.976 1.00 44.44 C ATOM 654 C TYR A 40 -2.786 4.844 4.171 1.00 64.50 C ATOM 655 O TYR A 40 -2.049 5.653 4.744 1.00 71.30 O ATOM 656 CB TYR A 40 -3.073 2.353 4.543 1.00 61.52 C ATOM 657 CG TYR A 40 -1.570 2.102 4.631 1.00 64.13 C ATOM 658 CD1 TYR A 40 -0.877 2.357 5.810 1.00 24.12 C ATOM 659 CD2 TYR A 40 -0.851 1.590 3.544 1.00 32.31 C ATOM 660 CE1 TYR A 40 0.466 2.121 5.902 1.00 24.02 C ATOM 661 CE2 TYR A 40 0.503 1.353 3.637 1.00 11.43 C ATOM 662 CZ TYR A 40 1.155 1.619 4.822 1.00 21.24 C ATOM 663 OH TYR A 40 2.504 1.384 4.933 1.00 40.53 O ATOM 0 H TYR A 40 -5.421 3.031 4.438 1.00 51.21 H new ATOM 0 HA TYR A 40 -3.288 3.928 6.026 1.00 44.44 H new ATOM 0 HB2 TYR A 40 -3.585 1.617 5.162 1.00 61.52 H new ATOM 0 HB3 TYR A 40 -3.394 2.183 3.515 1.00 61.52 H new ATOM 0 HD1 TYR A 40 -1.408 2.747 6.665 1.00 24.12 H new ATOM 0 HD2 TYR A 40 -1.366 1.378 2.619 1.00 32.31 H new ATOM 0 HE1 TYR A 40 0.988 2.329 6.825 1.00 24.02 H new ATOM 0 HE2 TYR A 40 1.048 0.963 2.790 1.00 11.43 H new ATOM 0 HH TYR A 40 2.784 1.518 5.862 1.00 40.53 H new ATOM 673 N LEU A 41 -3.007 4.839 2.844 1.00 1.22 N ATOM 674 CA LEU A 41 -2.325 5.747 1.914 1.00 13.52 C ATOM 675 C LEU A 41 -2.723 7.209 2.191 1.00 34.30 C ATOM 676 O LEU A 41 -1.863 8.090 2.158 1.00 60.54 O ATOM 677 CB LEU A 41 -2.606 5.330 0.443 1.00 53.11 C ATOM 678 CG LEU A 41 -2.094 3.903 0.036 1.00 42.34 C ATOM 679 CD1 LEU A 41 -2.482 3.559 -1.418 1.00 4.41 C ATOM 680 CD2 LEU A 41 -0.568 3.766 0.258 1.00 12.43 C ATOM 0 H LEU A 41 -3.664 4.204 2.390 1.00 1.22 H new ATOM 0 HA LEU A 41 -1.249 5.673 2.072 1.00 13.52 H new ATOM 0 HB2 LEU A 41 -3.681 5.374 0.270 1.00 53.11 H new ATOM 0 HB3 LEU A 41 -2.146 6.064 -0.219 1.00 53.11 H new ATOM 0 HG LEU A 41 -2.587 3.181 0.687 1.00 42.34 H new ATOM 0 HD11 LEU A 41 -2.112 2.564 -1.668 1.00 4.41 H new ATOM 0 HD12 LEU A 41 -3.567 3.579 -1.519 1.00 4.41 H new ATOM 0 HD13 LEU A 41 -2.041 4.291 -2.095 1.00 4.41 H new ATOM 0 HD21 LEU A 41 -0.246 2.766 -0.034 1.00 12.43 H new ATOM 0 HD22 LEU A 41 -0.044 4.507 -0.347 1.00 12.43 H new ATOM 0 HD23 LEU A 41 -0.337 3.929 1.311 1.00 12.43 H new ATOM 692 N GLN A 42 -4.021 7.445 2.521 1.00 2.31 N ATOM 693 CA GLN A 42 -4.513 8.789 2.906 1.00 45.54 C ATOM 694 C GLN A 42 -3.777 9.313 4.151 1.00 43.14 C ATOM 695 O GLN A 42 -3.398 10.485 4.201 1.00 42.32 O ATOM 696 CB GLN A 42 -6.029 8.756 3.192 1.00 52.03 C ATOM 697 CG GLN A 42 -6.667 10.121 3.523 1.00 61.04 C ATOM 698 CD GLN A 42 -8.171 10.051 3.821 1.00 21.54 C ATOM 699 OE1 GLN A 42 -8.890 9.149 3.166 1.00 4.31 O flip ATOM 700 NE2 GLN A 42 -8.692 10.828 4.622 1.00 55.13 N flip ATOM 0 H GLN A 42 -4.741 6.722 2.527 1.00 2.31 H new ATOM 0 HA GLN A 42 -4.317 9.459 2.069 1.00 45.54 H new ATOM 0 HB2 GLN A 42 -6.537 8.337 2.323 1.00 52.03 H new ATOM 0 HB3 GLN A 42 -6.210 8.077 4.025 1.00 52.03 H new ATOM 0 HG2 GLN A 42 -6.156 10.550 4.385 1.00 61.04 H new ATOM 0 HG3 GLN A 42 -6.504 10.799 2.686 1.00 61.04 H new ATOM 0 HE21 GLN A 42 -8.119 11.513 5.114 1.00 55.13 H new ATOM 0 HE22 GLN A 42 -9.697 10.786 4.793 1.00 55.13 H new ATOM 709 N SER A 43 -3.579 8.416 5.143 1.00 33.21 N ATOM 710 CA SER A 43 -2.909 8.744 6.410 1.00 70.12 C ATOM 711 C SER A 43 -1.438 9.156 6.181 1.00 72.35 C ATOM 712 O SER A 43 -0.952 10.106 6.807 1.00 1.02 O ATOM 713 CB SER A 43 -3.004 7.562 7.400 1.00 70.45 C ATOM 714 OG SER A 43 -4.340 7.330 7.812 1.00 70.14 O ATOM 0 H SER A 43 -3.882 7.444 5.082 1.00 33.21 H new ATOM 0 HA SER A 43 -3.425 9.599 6.847 1.00 70.12 H new ATOM 0 HB2 SER A 43 -2.606 6.662 6.931 1.00 70.45 H new ATOM 0 HB3 SER A 43 -2.384 7.768 8.273 1.00 70.45 H new ATOM 0 HG SER A 43 -4.821 6.850 7.106 1.00 70.14 H new ATOM 720 N ILE A 44 -0.749 8.443 5.264 1.00 0.10 N ATOM 721 CA ILE A 44 0.654 8.747 4.904 1.00 44.42 C ATOM 722 C ILE A 44 0.760 10.138 4.242 1.00 22.11 C ATOM 723 O ILE A 44 1.636 10.937 4.577 1.00 53.22 O ATOM 724 CB ILE A 44 1.271 7.663 3.940 1.00 61.25 C ATOM 725 CG1 ILE A 44 1.189 6.240 4.580 1.00 25.31 C ATOM 726 CG2 ILE A 44 2.736 8.018 3.567 1.00 20.11 C ATOM 727 CD1 ILE A 44 1.671 5.107 3.685 1.00 32.23 C ATOM 0 H ILE A 44 -1.143 7.650 4.758 1.00 0.10 H new ATOM 0 HA ILE A 44 1.223 8.738 5.834 1.00 44.42 H new ATOM 0 HB ILE A 44 0.684 7.657 3.022 1.00 61.25 H new ATOM 0 HG12 ILE A 44 1.778 6.235 5.497 1.00 25.31 H new ATOM 0 HG13 ILE A 44 0.155 6.044 4.865 1.00 25.31 H new ATOM 0 HG21 ILE A 44 3.137 7.254 2.901 1.00 20.11 H new ATOM 0 HG22 ILE A 44 2.759 8.985 3.065 1.00 20.11 H new ATOM 0 HG23 ILE A 44 3.341 8.064 4.473 1.00 20.11 H new ATOM 0 HD11 ILE A 44 1.576 4.159 4.215 1.00 32.23 H new ATOM 0 HD12 ILE A 44 1.067 5.078 2.778 1.00 32.23 H new ATOM 0 HD13 ILE A 44 2.715 5.272 3.420 1.00 32.23 H new ATOM 739 N GLU A 45 -0.160 10.420 3.320 1.00 22.33 N ATOM 740 CA GLU A 45 -0.148 11.668 2.540 1.00 71.00 C ATOM 741 C GLU A 45 -0.565 12.879 3.394 1.00 15.41 C ATOM 742 O GLU A 45 -0.010 13.970 3.230 1.00 74.52 O ATOM 743 CB GLU A 45 -1.050 11.505 1.296 1.00 41.53 C ATOM 744 CG GLU A 45 -0.583 10.371 0.359 1.00 23.53 C ATOM 745 CD GLU A 45 -1.544 10.107 -0.802 1.00 65.15 C ATOM 746 OE1 GLU A 45 -1.198 10.403 -1.970 1.00 32.30 O ATOM 747 OE2 GLU A 45 -2.654 9.592 -0.550 1.00 71.14 O ATOM 0 H GLU A 45 -0.933 9.796 3.090 1.00 22.33 H new ATOM 0 HA GLU A 45 0.872 11.865 2.209 1.00 71.00 H new ATOM 0 HB2 GLU A 45 -2.072 11.305 1.618 1.00 41.53 H new ATOM 0 HB3 GLU A 45 -1.068 12.443 0.741 1.00 41.53 H new ATOM 0 HG2 GLU A 45 0.399 10.622 -0.042 1.00 23.53 H new ATOM 0 HG3 GLU A 45 -0.466 9.456 0.939 1.00 23.53 H new ATOM 754 N THR A 46 -1.501 12.671 4.339 1.00 74.51 N ATOM 755 CA THR A 46 -2.010 13.763 5.189 1.00 65.50 C ATOM 756 C THR A 46 -0.964 14.159 6.259 1.00 54.52 C ATOM 757 O THR A 46 -0.846 15.339 6.600 1.00 61.33 O ATOM 758 CB THR A 46 -3.394 13.415 5.848 1.00 22.21 C ATOM 759 OG1 THR A 46 -3.972 14.595 6.424 1.00 72.20 O ATOM 760 CG2 THR A 46 -3.298 12.339 6.936 1.00 64.03 C ATOM 0 H THR A 46 -1.918 11.761 4.532 1.00 74.51 H new ATOM 0 HA THR A 46 -2.181 14.622 4.540 1.00 65.50 H new ATOM 0 HB THR A 46 -4.019 13.019 5.048 1.00 22.21 H new ATOM 0 HG1 THR A 46 -4.835 14.371 6.831 1.00 72.20 H new ATOM 0 HG21 THR A 46 -4.289 12.148 7.348 1.00 64.03 H new ATOM 0 HG22 THR A 46 -2.901 11.420 6.505 1.00 64.03 H new ATOM 0 HG23 THR A 46 -2.635 12.683 7.730 1.00 64.03 H new ATOM 768 N VAL A 47 -0.176 13.177 6.769 1.00 23.03 N ATOM 769 CA VAL A 47 0.948 13.495 7.683 1.00 10.54 C ATOM 770 C VAL A 47 2.103 14.136 6.898 1.00 41.40 C ATOM 771 O VAL A 47 2.834 14.949 7.450 1.00 2.12 O ATOM 772 CB VAL A 47 1.473 12.263 8.511 1.00 12.05 C ATOM 773 CG1 VAL A 47 0.360 11.697 9.406 1.00 21.15 C ATOM 774 CG2 VAL A 47 2.074 11.168 7.611 1.00 61.11 C ATOM 0 H VAL A 47 -0.294 12.184 6.569 1.00 23.03 H new ATOM 0 HA VAL A 47 0.550 14.199 8.414 1.00 10.54 H new ATOM 0 HB VAL A 47 2.280 12.622 9.149 1.00 12.05 H new ATOM 0 HG11 VAL A 47 0.744 10.846 9.970 1.00 21.15 H new ATOM 0 HG12 VAL A 47 0.022 12.468 10.098 1.00 21.15 H new ATOM 0 HG13 VAL A 47 -0.476 11.374 8.786 1.00 21.15 H new ATOM 0 HG21 VAL A 47 2.422 10.340 8.228 1.00 61.11 H new ATOM 0 HG22 VAL A 47 1.314 10.809 6.918 1.00 61.11 H new ATOM 0 HG23 VAL A 47 2.913 11.579 7.049 1.00 61.11 H new ATOM 784 N MET A 48 2.242 13.767 5.599 1.00 12.51 N ATOM 785 CA MET A 48 3.248 14.359 4.689 1.00 30.44 C ATOM 786 C MET A 48 2.806 15.726 4.141 1.00 13.05 C ATOM 787 O MET A 48 3.624 16.442 3.551 1.00 32.32 O ATOM 788 CB MET A 48 3.612 13.382 3.541 1.00 21.44 C ATOM 789 CG MET A 48 4.511 12.234 4.002 1.00 53.23 C ATOM 790 SD MET A 48 6.070 12.846 4.685 1.00 25.50 S ATOM 791 CE MET A 48 6.810 11.343 5.313 1.00 25.41 C ATOM 0 H MET A 48 1.661 13.054 5.158 1.00 12.51 H new ATOM 0 HA MET A 48 4.147 14.532 5.280 1.00 30.44 H new ATOM 0 HB2 MET A 48 2.696 12.972 3.115 1.00 21.44 H new ATOM 0 HB3 MET A 48 4.114 13.934 2.746 1.00 21.44 H new ATOM 0 HG2 MET A 48 3.990 11.642 4.755 1.00 53.23 H new ATOM 0 HG3 MET A 48 4.716 11.571 3.161 1.00 53.23 H new ATOM 0 HE1 MET A 48 7.276 11.542 6.278 1.00 25.41 H new ATOM 0 HE2 MET A 48 6.040 10.581 5.432 1.00 25.41 H new ATOM 0 HE3 MET A 48 7.566 10.989 4.612 1.00 25.41 H new ATOM 801 N GLU A 49 1.523 16.089 4.348 1.00 33.34 N ATOM 802 CA GLU A 49 1.041 17.463 4.102 1.00 13.13 C ATOM 803 C GLU A 49 1.652 18.416 5.164 1.00 60.45 C ATOM 804 O GLU A 49 1.933 19.586 4.883 1.00 71.52 O ATOM 805 CB GLU A 49 -0.509 17.505 4.137 1.00 74.51 C ATOM 806 CG GLU A 49 -1.124 18.857 3.724 1.00 13.10 C ATOM 807 CD GLU A 49 -2.657 18.871 3.809 1.00 15.00 C ATOM 808 OE1 GLU A 49 -3.203 19.336 4.837 1.00 12.13 O ATOM 809 OE2 GLU A 49 -3.323 18.391 2.863 1.00 41.33 O ATOM 0 H GLU A 49 0.803 15.450 4.685 1.00 33.34 H new ATOM 0 HA GLU A 49 1.358 17.791 3.112 1.00 13.13 H new ATOM 0 HB2 GLU A 49 -0.895 16.728 3.477 1.00 74.51 H new ATOM 0 HB3 GLU A 49 -0.843 17.262 5.146 1.00 74.51 H new ATOM 0 HG2 GLU A 49 -0.723 19.643 4.364 1.00 13.10 H new ATOM 0 HG3 GLU A 49 -0.820 19.091 2.704 1.00 13.10 H new ATOM 816 N LYS A 50 1.882 17.871 6.376 1.00 15.13 N ATOM 817 CA LYS A 50 2.646 18.543 7.454 1.00 64.51 C ATOM 818 C LYS A 50 4.146 18.196 7.348 1.00 44.24 C ATOM 819 O LYS A 50 5.005 18.962 7.806 1.00 3.13 O ATOM 820 CB LYS A 50 2.114 18.103 8.851 1.00 25.25 C ATOM 821 CG LYS A 50 0.677 18.562 9.184 1.00 31.42 C ATOM 822 CD LYS A 50 0.511 20.100 9.122 1.00 54.21 C ATOM 823 CE LYS A 50 -0.829 20.596 9.690 1.00 13.14 C ATOM 824 NZ LYS A 50 -1.999 19.974 9.021 1.00 53.42 N ATOM 0 H LYS A 50 1.542 16.946 6.639 1.00 15.13 H new ATOM 0 HA LYS A 50 2.517 19.619 7.341 1.00 64.51 H new ATOM 0 HB2 LYS A 50 2.153 17.015 8.911 1.00 25.25 H new ATOM 0 HB3 LYS A 50 2.788 18.489 9.616 1.00 25.25 H new ATOM 0 HG2 LYS A 50 -0.019 18.097 8.486 1.00 31.42 H new ATOM 0 HG3 LYS A 50 0.410 18.212 10.181 1.00 31.42 H new ATOM 0 HD2 LYS A 50 1.326 20.568 9.674 1.00 54.21 H new ATOM 0 HD3 LYS A 50 0.600 20.426 8.086 1.00 54.21 H new ATOM 0 HE2 LYS A 50 -0.869 20.380 10.758 1.00 13.14 H new ATOM 0 HE3 LYS A 50 -0.887 21.679 9.581 1.00 13.14 H new ATOM 0 HZ1 LYS A 50 -2.789 20.650 9.005 1.00 53.42 H new ATOM 0 HZ2 LYS A 50 -1.745 19.715 8.046 1.00 53.42 H new ATOM 0 HZ3 LYS A 50 -2.284 19.120 9.542 1.00 53.42 H new ATOM 838 N GLN A 51 4.424 17.030 6.722 1.00 31.55 N ATOM 839 CA GLN A 51 5.740 16.358 6.685 1.00 33.44 C ATOM 840 C GLN A 51 6.182 15.989 8.113 1.00 42.35 C ATOM 841 O GLN A 51 6.028 14.839 8.548 1.00 52.45 O ATOM 842 CB GLN A 51 6.812 17.183 5.918 1.00 13.22 C ATOM 843 CG GLN A 51 8.181 16.483 5.780 1.00 15.24 C ATOM 844 CD GLN A 51 9.222 17.288 4.987 1.00 63.51 C ATOM 845 OE1 GLN A 51 8.795 18.043 3.976 1.00 40.54 O flip ATOM 846 NE2 GLN A 51 10.421 17.212 5.264 1.00 14.14 N flip ATOM 0 H GLN A 51 3.710 16.513 6.210 1.00 31.55 H new ATOM 0 HA GLN A 51 5.633 15.434 6.116 1.00 33.44 H new ATOM 0 HB2 GLN A 51 6.433 17.411 4.922 1.00 13.22 H new ATOM 0 HB3 GLN A 51 6.955 18.135 6.430 1.00 13.22 H new ATOM 0 HG2 GLN A 51 8.576 16.281 6.776 1.00 15.24 H new ATOM 0 HG3 GLN A 51 8.036 15.519 5.293 1.00 15.24 H new ATOM 0 HE21 GLN A 51 10.729 16.629 6.042 1.00 14.14 H new ATOM 0 HE22 GLN A 51 11.105 17.733 4.715 1.00 14.14 H new ATOM 855 N THR A 52 6.701 16.990 8.838 1.00 70.25 N ATOM 856 CA THR A 52 7.037 16.892 10.259 1.00 42.44 C ATOM 857 C THR A 52 6.927 18.298 10.879 1.00 3.02 C ATOM 858 O THR A 52 7.656 19.202 10.450 1.00 50.35 O ATOM 859 CB THR A 52 8.486 16.336 10.498 1.00 62.13 C ATOM 860 OG1 THR A 52 8.670 15.121 9.772 1.00 2.33 O ATOM 861 CG2 THR A 52 8.773 16.075 11.992 1.00 32.55 C ATOM 0 H THR A 52 6.902 17.908 8.441 1.00 70.25 H new ATOM 0 HA THR A 52 6.342 16.193 10.724 1.00 42.44 H new ATOM 0 HB THR A 52 9.181 17.098 10.147 1.00 62.13 H new ATOM 0 HG1 THR A 52 9.593 14.810 9.883 1.00 2.33 H new ATOM 0 HG21 THR A 52 9.787 15.691 12.106 1.00 32.55 H new ATOM 0 HG22 THR A 52 8.672 17.006 12.550 1.00 32.55 H new ATOM 0 HG23 THR A 52 8.063 15.343 12.376 1.00 32.55 H new ATOM 869 N PRO A 53 5.982 18.533 11.843 1.00 72.51 N ATOM 870 CA PRO A 53 5.994 19.754 12.681 1.00 52.03 C ATOM 871 C PRO A 53 7.322 19.871 13.480 1.00 45.24 C ATOM 872 O PRO A 53 7.841 18.855 13.950 1.00 32.04 O ATOM 873 CB PRO A 53 4.763 19.569 13.620 1.00 75.21 C ATOM 874 CG PRO A 53 4.427 18.108 13.549 1.00 24.23 C ATOM 875 CD PRO A 53 4.810 17.675 12.154 1.00 61.35 C ATOM 0 HA PRO A 53 5.934 20.673 12.098 1.00 52.03 H new ATOM 0 HB2 PRO A 53 4.998 19.869 14.641 1.00 75.21 H new ATOM 0 HB3 PRO A 53 3.923 20.182 13.293 1.00 75.21 H new ATOM 0 HG2 PRO A 53 4.977 17.542 14.301 1.00 24.23 H new ATOM 0 HG3 PRO A 53 3.366 17.939 13.735 1.00 24.23 H new ATOM 0 HD2 PRO A 53 5.065 16.616 12.117 1.00 61.35 H new ATOM 0 HD3 PRO A 53 3.996 17.832 11.446 1.00 61.35 H new ATOM 883 N PRO A 54 7.918 21.097 13.612 1.00 34.10 N ATOM 884 CA PRO A 54 9.179 21.295 14.384 1.00 23.31 C ATOM 885 C PRO A 54 9.019 21.016 15.900 1.00 33.42 C ATOM 886 O PRO A 54 10.007 20.735 16.584 1.00 51.24 O ATOM 887 CB PRO A 54 9.533 22.782 14.112 1.00 62.33 C ATOM 888 CG PRO A 54 8.226 23.425 13.755 1.00 75.13 C ATOM 889 CD PRO A 54 7.449 22.372 12.997 1.00 41.25 C ATOM 0 HA PRO A 54 9.958 20.598 14.075 1.00 23.31 H new ATOM 0 HB2 PRO A 54 9.978 23.250 14.990 1.00 62.33 H new ATOM 0 HB3 PRO A 54 10.255 22.875 13.301 1.00 62.33 H new ATOM 0 HG2 PRO A 54 7.688 23.742 14.648 1.00 75.13 H new ATOM 0 HG3 PRO A 54 8.380 24.314 13.144 1.00 75.13 H new ATOM 0 HD2 PRO A 54 6.373 22.504 13.113 1.00 41.25 H new ATOM 0 HD3 PRO A 54 7.661 22.406 11.928 1.00 41.25 H new ATOM 897 N GLY A 55 7.768 21.077 16.407 1.00 54.44 N ATOM 898 CA GLY A 55 7.479 20.869 17.832 1.00 65.40 C ATOM 899 C GLY A 55 7.336 19.393 18.196 1.00 40.14 C ATOM 900 O GLY A 55 6.280 18.968 18.687 1.00 21.25 O ATOM 0 H GLY A 55 6.941 21.270 15.841 1.00 54.44 H new ATOM 0 HA2 GLY A 55 8.278 21.310 18.428 1.00 65.40 H new ATOM 0 HA3 GLY A 55 6.560 21.394 18.092 1.00 65.40 H new ATOM 904 N ILE A 56 8.401 18.607 17.934 1.00 22.20 N ATOM 905 CA ILE A 56 8.468 17.166 18.252 1.00 14.04 C ATOM 906 C ILE A 56 9.675 16.917 19.169 1.00 34.03 C ATOM 907 O ILE A 56 10.825 17.176 18.781 1.00 61.21 O ATOM 908 CB ILE A 56 8.587 16.281 16.946 1.00 2.04 C ATOM 909 CG1 ILE A 56 7.367 16.519 15.999 1.00 43.21 C ATOM 910 CG2 ILE A 56 8.747 14.772 17.281 1.00 13.35 C ATOM 911 CD1 ILE A 56 6.013 16.243 16.625 1.00 41.12 C ATOM 0 H ILE A 56 9.249 18.960 17.490 1.00 22.20 H new ATOM 0 HA ILE A 56 7.545 16.878 18.755 1.00 14.04 H new ATOM 0 HB ILE A 56 9.491 16.593 16.423 1.00 2.04 H new ATOM 0 HG12 ILE A 56 7.388 17.553 15.655 1.00 43.21 H new ATOM 0 HG13 ILE A 56 7.480 15.887 15.118 1.00 43.21 H new ATOM 0 HG21 ILE A 56 8.825 14.200 16.356 1.00 13.35 H new ATOM 0 HG22 ILE A 56 9.648 14.625 17.876 1.00 13.35 H new ATOM 0 HG23 ILE A 56 7.880 14.431 17.846 1.00 13.35 H new ATOM 0 HD11 ILE A 56 5.228 16.435 15.894 1.00 41.12 H new ATOM 0 HD12 ILE A 56 5.965 15.202 16.943 1.00 41.12 H new ATOM 0 HD13 ILE A 56 5.872 16.893 17.488 1.00 41.12 H new ATOM 923 N THR A 57 9.397 16.447 20.397 1.00 73.33 N ATOM 924 CA THR A 57 10.426 16.065 21.381 1.00 31.32 C ATOM 925 C THR A 57 10.990 14.667 21.057 1.00 43.03 C ATOM 926 O THR A 57 10.449 13.961 20.199 1.00 63.32 O ATOM 927 CB THR A 57 9.842 16.085 22.840 1.00 51.40 C ATOM 928 OG1 THR A 57 10.870 15.777 23.803 1.00 50.02 O ATOM 929 CG2 THR A 57 8.675 15.095 23.007 1.00 15.21 C ATOM 0 H THR A 57 8.444 16.320 20.738 1.00 73.33 H new ATOM 0 HA THR A 57 11.234 16.794 21.323 1.00 31.32 H new ATOM 0 HB THR A 57 9.464 17.092 23.016 1.00 51.40 H new ATOM 0 HG1 THR A 57 10.765 16.352 24.589 1.00 50.02 H new ATOM 0 HG21 THR A 57 8.302 15.142 24.030 1.00 15.21 H new ATOM 0 HG22 THR A 57 7.874 15.357 22.316 1.00 15.21 H new ATOM 0 HG23 THR A 57 9.022 14.084 22.793 1.00 15.21 H new ATOM 937 N ARG A 58 12.038 14.260 21.795 1.00 74.11 N ATOM 938 CA ARG A 58 12.723 12.968 21.589 1.00 32.24 C ATOM 939 C ARG A 58 11.820 11.767 21.950 1.00 74.15 C ATOM 940 O ARG A 58 12.023 10.664 21.431 1.00 50.13 O ATOM 941 CB ARG A 58 14.088 12.929 22.365 1.00 53.34 C ATOM 942 CG ARG A 58 14.093 13.487 23.825 1.00 23.53 C ATOM 943 CD ARG A 58 13.299 12.643 24.845 1.00 24.23 C ATOM 944 NE ARG A 58 13.431 13.148 26.223 1.00 2.32 N ATOM 945 CZ ARG A 58 12.574 13.983 26.836 1.00 5.42 C ATOM 946 NH1 ARG A 58 11.501 14.452 26.217 1.00 15.21 N ATOM 947 NH2 ARG A 58 12.790 14.337 28.084 1.00 71.54 N ATOM 0 H ARG A 58 12.435 14.817 22.552 1.00 74.11 H new ATOM 0 HA ARG A 58 12.943 12.879 20.525 1.00 32.24 H new ATOM 0 HB2 ARG A 58 14.429 11.894 22.397 1.00 53.34 H new ATOM 0 HB3 ARG A 58 14.822 13.489 21.786 1.00 53.34 H new ATOM 0 HG2 ARG A 58 15.126 13.565 24.165 1.00 23.53 H new ATOM 0 HG3 ARG A 58 13.684 14.497 23.814 1.00 23.53 H new ATOM 0 HD2 ARG A 58 12.246 12.636 24.564 1.00 24.23 H new ATOM 0 HD3 ARG A 58 13.646 11.611 24.805 1.00 24.23 H new ATOM 0 HE ARG A 58 14.242 12.837 26.758 1.00 2.32 H new ATOM 0 HH11 ARG A 58 11.309 14.181 25.253 1.00 15.21 H new ATOM 0 HH12 ARG A 58 10.866 15.084 26.705 1.00 15.21 H new ATOM 0 HH21 ARG A 58 13.605 13.978 28.582 1.00 71.54 H new ATOM 0 HH22 ARG A 58 12.143 14.970 28.554 1.00 71.54 H new ATOM 961 N SER A 59 10.814 11.997 22.824 1.00 50.34 N ATOM 962 CA SER A 59 9.867 10.951 23.249 1.00 32.34 C ATOM 963 C SER A 59 8.937 10.589 22.076 1.00 1.42 C ATOM 964 O SER A 59 8.895 9.435 21.641 1.00 74.42 O ATOM 965 CB SER A 59 9.054 11.431 24.477 1.00 70.31 C ATOM 966 OG SER A 59 8.148 10.431 24.926 1.00 51.22 O ATOM 0 H SER A 59 10.640 12.907 23.250 1.00 50.34 H new ATOM 0 HA SER A 59 10.420 10.058 23.542 1.00 32.34 H new ATOM 0 HB2 SER A 59 9.736 11.695 25.285 1.00 70.31 H new ATOM 0 HB3 SER A 59 8.501 12.334 24.218 1.00 70.31 H new ATOM 0 HG SER A 59 7.652 10.764 25.703 1.00 51.22 H new ATOM 972 N ILE A 60 8.239 11.615 21.550 1.00 41.31 N ATOM 973 CA ILE A 60 7.340 11.499 20.384 1.00 0.13 C ATOM 974 C ILE A 60 8.112 11.017 19.136 1.00 32.41 C ATOM 975 O ILE A 60 7.585 10.241 18.338 1.00 50.22 O ATOM 976 CB ILE A 60 6.634 12.877 20.105 1.00 34.23 C ATOM 977 CG1 ILE A 60 5.791 13.305 21.347 1.00 32.42 C ATOM 978 CG2 ILE A 60 5.765 12.834 18.822 1.00 4.52 C ATOM 979 CD1 ILE A 60 5.191 14.693 21.264 1.00 3.20 C ATOM 0 H ILE A 60 8.284 12.561 21.928 1.00 41.31 H new ATOM 0 HA ILE A 60 6.576 10.755 20.611 1.00 0.13 H new ATOM 0 HB ILE A 60 7.408 13.625 19.932 1.00 34.23 H new ATOM 0 HG12 ILE A 60 4.985 12.585 21.486 1.00 32.42 H new ATOM 0 HG13 ILE A 60 6.424 13.251 22.233 1.00 32.42 H new ATOM 0 HG21 ILE A 60 5.296 13.806 18.667 1.00 4.52 H new ATOM 0 HG22 ILE A 60 6.394 12.594 17.965 1.00 4.52 H new ATOM 0 HG23 ILE A 60 4.993 12.072 18.931 1.00 4.52 H new ATOM 0 HD11 ILE A 60 4.624 14.899 22.172 1.00 3.20 H new ATOM 0 HD12 ILE A 60 5.989 15.428 21.159 1.00 3.20 H new ATOM 0 HD13 ILE A 60 4.528 14.752 20.401 1.00 3.20 H new ATOM 991 N GLN A 61 9.374 11.474 19.016 1.00 34.21 N ATOM 992 CA GLN A 61 10.306 11.053 17.954 1.00 34.42 C ATOM 993 C GLN A 61 10.503 9.525 17.979 1.00 14.23 C ATOM 994 O GLN A 61 10.412 8.877 16.941 1.00 51.01 O ATOM 995 CB GLN A 61 11.672 11.760 18.149 1.00 34.30 C ATOM 996 CG GLN A 61 12.785 11.336 17.172 1.00 44.04 C ATOM 997 CD GLN A 61 14.150 11.870 17.593 1.00 41.52 C ATOM 998 OE1 GLN A 61 14.870 11.221 18.351 1.00 2.04 O ATOM 999 NE2 GLN A 61 14.515 13.050 17.123 1.00 34.53 N ATOM 0 H GLN A 61 9.778 12.153 19.661 1.00 34.21 H new ATOM 0 HA GLN A 61 9.884 11.333 16.989 1.00 34.42 H new ATOM 0 HB2 GLN A 61 11.521 12.835 18.055 1.00 34.30 H new ATOM 0 HB3 GLN A 61 12.016 11.574 19.166 1.00 34.30 H new ATOM 0 HG2 GLN A 61 12.823 10.248 17.116 1.00 44.04 H new ATOM 0 HG3 GLN A 61 12.547 11.698 16.172 1.00 44.04 H new ATOM 0 HE21 GLN A 61 13.895 13.563 16.496 1.00 34.53 H new ATOM 0 HE22 GLN A 61 15.417 13.447 17.387 1.00 34.53 H new ATOM 1008 N ASP A 62 10.752 8.978 19.192 1.00 44.02 N ATOM 1009 CA ASP A 62 11.012 7.533 19.402 1.00 20.24 C ATOM 1010 C ASP A 62 9.729 6.704 19.166 1.00 54.33 C ATOM 1011 O ASP A 62 9.782 5.584 18.642 1.00 1.11 O ATOM 1012 CB ASP A 62 11.566 7.284 20.835 1.00 32.45 C ATOM 1013 CG ASP A 62 12.011 5.821 21.060 1.00 55.14 C ATOM 1014 OD1 ASP A 62 11.253 5.024 21.653 1.00 72.23 O ATOM 1015 OD2 ASP A 62 13.120 5.459 20.621 1.00 1.33 O ATOM 0 H ASP A 62 10.778 9.525 20.052 1.00 44.02 H new ATOM 0 HA ASP A 62 11.762 7.212 18.679 1.00 20.24 H new ATOM 0 HB2 ASP A 62 12.412 7.948 21.013 1.00 32.45 H new ATOM 0 HB3 ASP A 62 10.800 7.542 21.566 1.00 32.45 H new ATOM 1020 N MET A 63 8.585 7.294 19.549 1.00 73.25 N ATOM 1021 CA MET A 63 7.244 6.702 19.368 1.00 24.11 C ATOM 1022 C MET A 63 6.956 6.463 17.886 1.00 51.32 C ATOM 1023 O MET A 63 6.748 5.322 17.453 1.00 45.25 O ATOM 1024 CB MET A 63 6.173 7.650 19.958 1.00 23.25 C ATOM 1025 CG MET A 63 6.175 7.769 21.479 1.00 63.21 C ATOM 1026 SD MET A 63 5.149 9.139 22.067 1.00 65.32 S ATOM 1027 CE MET A 63 3.761 9.085 20.928 1.00 3.52 C ATOM 0 H MET A 63 8.562 8.209 20.000 1.00 73.25 H new ATOM 0 HA MET A 63 7.214 5.745 19.888 1.00 24.11 H new ATOM 0 HB2 MET A 63 6.316 8.643 19.532 1.00 23.25 H new ATOM 0 HB3 MET A 63 5.190 7.305 19.638 1.00 23.25 H new ATOM 0 HG2 MET A 63 5.815 6.837 21.914 1.00 63.21 H new ATOM 0 HG3 MET A 63 7.198 7.909 21.828 1.00 63.21 H new ATOM 0 HE1 MET A 63 2.922 9.639 21.350 1.00 3.52 H new ATOM 0 HE2 MET A 63 4.052 9.535 19.979 1.00 3.52 H new ATOM 0 HE3 MET A 63 3.466 8.049 20.763 1.00 3.52 H new ATOM 1037 N VAL A 64 6.972 7.564 17.114 1.00 64.50 N ATOM 1038 CA VAL A 64 6.663 7.531 15.684 1.00 22.42 C ATOM 1039 C VAL A 64 7.776 6.838 14.897 1.00 25.41 C ATOM 1040 O VAL A 64 7.514 6.315 13.836 1.00 74.02 O ATOM 1041 CB VAL A 64 6.363 8.953 15.103 1.00 32.31 C ATOM 1042 CG1 VAL A 64 5.173 9.607 15.856 1.00 73.12 C ATOM 1043 CG2 VAL A 64 7.619 9.851 15.113 1.00 2.11 C ATOM 0 H VAL A 64 7.199 8.494 17.467 1.00 64.50 H new ATOM 0 HA VAL A 64 5.750 6.947 15.572 1.00 22.42 H new ATOM 0 HB VAL A 64 6.074 8.839 14.058 1.00 32.31 H new ATOM 0 HG11 VAL A 64 4.978 10.595 15.439 1.00 73.12 H new ATOM 0 HG12 VAL A 64 4.285 8.984 15.744 1.00 73.12 H new ATOM 0 HG13 VAL A 64 5.419 9.701 16.914 1.00 73.12 H new ATOM 0 HG21 VAL A 64 7.370 10.829 14.702 1.00 2.11 H new ATOM 0 HG22 VAL A 64 7.975 9.967 16.137 1.00 2.11 H new ATOM 0 HG23 VAL A 64 8.400 9.391 14.507 1.00 2.11 H new ATOM 1053 N ALA A 65 9.007 6.822 15.445 1.00 42.03 N ATOM 1054 CA ALA A 65 10.116 6.033 14.877 1.00 32.22 C ATOM 1055 C ALA A 65 9.735 4.543 14.856 1.00 64.24 C ATOM 1056 O ALA A 65 9.946 3.853 13.856 1.00 24.41 O ATOM 1057 CB ALA A 65 11.422 6.248 15.665 1.00 60.12 C ATOM 0 H ALA A 65 9.258 7.348 16.282 1.00 42.03 H new ATOM 0 HA ALA A 65 10.292 6.373 13.856 1.00 32.22 H new ATOM 0 HB1 ALA A 65 12.218 5.652 15.219 1.00 60.12 H new ATOM 0 HB2 ALA A 65 11.697 7.302 15.633 1.00 60.12 H new ATOM 0 HB3 ALA A 65 11.276 5.942 16.701 1.00 60.12 H new ATOM 1063 N GLY A 66 9.150 4.069 15.972 1.00 2.20 N ATOM 1064 CA GLY A 66 8.625 2.709 16.057 1.00 34.41 C ATOM 1065 C GLY A 66 7.487 2.471 15.072 1.00 13.32 C ATOM 1066 O GLY A 66 7.473 1.452 14.385 1.00 65.22 O ATOM 0 H GLY A 66 9.033 4.616 16.825 1.00 2.20 H new ATOM 0 HA2 GLY A 66 9.428 1.998 15.861 1.00 34.41 H new ATOM 0 HA3 GLY A 66 8.272 2.520 17.071 1.00 34.41 H new ATOM 1070 N TYR A 67 6.564 3.455 14.973 1.00 44.41 N ATOM 1071 CA TYR A 67 5.373 3.363 14.104 1.00 53.22 C ATOM 1072 C TYR A 67 5.751 3.296 12.612 1.00 2.13 C ATOM 1073 O TYR A 67 5.170 2.509 11.855 1.00 1.05 O ATOM 1074 CB TYR A 67 4.408 4.554 14.357 1.00 15.32 C ATOM 1075 CG TYR A 67 3.810 4.603 15.779 1.00 30.24 C ATOM 1076 CD1 TYR A 67 3.676 5.809 16.476 1.00 24.43 C ATOM 1077 CD2 TYR A 67 3.383 3.437 16.426 1.00 74.14 C ATOM 1078 CE1 TYR A 67 3.145 5.852 17.752 1.00 51.24 C ATOM 1079 CE2 TYR A 67 2.851 3.477 17.704 1.00 5.32 C ATOM 1080 CZ TYR A 67 2.735 4.685 18.362 1.00 31.00 C ATOM 1081 OH TYR A 67 2.194 4.724 19.636 1.00 13.12 O ATOM 0 H TYR A 67 6.625 4.331 15.492 1.00 44.41 H new ATOM 0 HA TYR A 67 4.864 2.434 14.361 1.00 53.22 H new ATOM 0 HB2 TYR A 67 4.943 5.485 14.169 1.00 15.32 H new ATOM 0 HB3 TYR A 67 3.593 4.504 13.635 1.00 15.32 H new ATOM 0 HD1 TYR A 67 3.995 6.728 16.006 1.00 24.43 H new ATOM 0 HD2 TYR A 67 3.470 2.488 15.918 1.00 74.14 H new ATOM 0 HE1 TYR A 67 3.052 6.796 18.269 1.00 51.24 H new ATOM 0 HE2 TYR A 67 2.528 2.565 18.185 1.00 5.32 H new ATOM 0 HH TYR A 67 1.956 3.816 19.918 1.00 13.12 H new ATOM 1091 N ILE A 68 6.742 4.115 12.206 1.00 52.13 N ATOM 1092 CA ILE A 68 7.211 4.164 10.812 1.00 41.31 C ATOM 1093 C ILE A 68 8.011 2.890 10.492 1.00 70.10 C ATOM 1094 O ILE A 68 7.903 2.358 9.400 1.00 41.24 O ATOM 1095 CB ILE A 68 8.094 5.433 10.482 1.00 45.12 C ATOM 1096 CG1 ILE A 68 7.358 6.754 10.854 1.00 32.32 C ATOM 1097 CG2 ILE A 68 8.482 5.454 8.977 1.00 34.13 C ATOM 1098 CD1 ILE A 68 8.212 8.015 10.756 1.00 22.32 C ATOM 0 H ILE A 68 7.234 4.754 12.830 1.00 52.13 H new ATOM 0 HA ILE A 68 6.319 4.233 10.189 1.00 41.31 H new ATOM 0 HB ILE A 68 8.999 5.365 11.085 1.00 45.12 H new ATOM 0 HG12 ILE A 68 6.493 6.867 10.201 1.00 32.32 H new ATOM 0 HG13 ILE A 68 6.979 6.667 11.872 1.00 32.32 H new ATOM 0 HG21 ILE A 68 9.089 6.335 8.770 1.00 34.13 H new ATOM 0 HG22 ILE A 68 9.051 4.556 8.735 1.00 34.13 H new ATOM 0 HG23 ILE A 68 7.578 5.486 8.369 1.00 34.13 H new ATOM 0 HD11 ILE A 68 7.613 8.882 11.034 1.00 22.32 H new ATOM 0 HD12 ILE A 68 9.064 7.931 11.431 1.00 22.32 H new ATOM 0 HD13 ILE A 68 8.570 8.134 9.733 1.00 22.32 H new ATOM 1110 N LYS A 69 8.793 2.389 11.470 1.00 74.11 N ATOM 1111 CA LYS A 69 9.606 1.170 11.280 1.00 15.41 C ATOM 1112 C LYS A 69 8.689 -0.050 11.029 1.00 13.52 C ATOM 1113 O LYS A 69 8.979 -0.887 10.160 1.00 62.22 O ATOM 1114 CB LYS A 69 10.528 0.916 12.499 1.00 64.11 C ATOM 1115 CG LYS A 69 11.617 -0.156 12.249 1.00 23.40 C ATOM 1116 CD LYS A 69 12.467 -0.466 13.499 1.00 14.44 C ATOM 1117 CE LYS A 69 11.654 -1.125 14.631 1.00 60.54 C ATOM 1118 NZ LYS A 69 11.064 -2.435 14.225 1.00 42.31 N ATOM 0 H LYS A 69 8.879 2.808 12.396 1.00 74.11 H new ATOM 0 HA LYS A 69 10.241 1.318 10.407 1.00 15.41 H new ATOM 0 HB2 LYS A 69 11.011 1.852 12.778 1.00 64.11 H new ATOM 0 HB3 LYS A 69 9.916 0.608 13.347 1.00 64.11 H new ATOM 0 HG2 LYS A 69 11.141 -1.074 11.905 1.00 23.40 H new ATOM 0 HG3 LYS A 69 12.273 0.183 11.447 1.00 23.40 H new ATOM 0 HD2 LYS A 69 13.289 -1.124 13.219 1.00 14.44 H new ATOM 0 HD3 LYS A 69 12.911 0.458 13.868 1.00 14.44 H new ATOM 0 HE2 LYS A 69 12.298 -1.274 15.497 1.00 60.54 H new ATOM 0 HE3 LYS A 69 10.855 -0.451 14.940 1.00 60.54 H new ATOM 0 HZ1 LYS A 69 10.644 -2.899 15.056 1.00 42.31 H new ATOM 0 HZ2 LYS A 69 10.328 -2.277 13.508 1.00 42.31 H new ATOM 0 HZ3 LYS A 69 11.809 -3.043 13.828 1.00 42.31 H new ATOM 1132 N GLN A 70 7.562 -0.106 11.777 1.00 45.33 N ATOM 1133 CA GLN A 70 6.523 -1.136 11.595 1.00 3.21 C ATOM 1134 C GLN A 70 5.927 -1.043 10.191 1.00 25.23 C ATOM 1135 O GLN A 70 5.869 -2.038 9.468 1.00 72.33 O ATOM 1136 CB GLN A 70 5.380 -0.983 12.630 1.00 12.10 C ATOM 1137 CG GLN A 70 5.776 -1.244 14.091 1.00 12.33 C ATOM 1138 CD GLN A 70 4.605 -1.122 15.071 1.00 72.04 C ATOM 1139 OE1 GLN A 70 3.409 -1.545 14.658 1.00 65.14 O flip ATOM 1140 NE2 GLN A 70 4.784 -0.692 16.212 1.00 53.21 N flip ATOM 0 H GLN A 70 7.352 0.561 12.520 1.00 45.33 H new ATOM 0 HA GLN A 70 7.001 -2.105 11.739 1.00 3.21 H new ATOM 0 HB2 GLN A 70 4.978 0.027 12.555 1.00 12.10 H new ATOM 0 HB3 GLN A 70 4.575 -1.667 12.361 1.00 12.10 H new ATOM 0 HG2 GLN A 70 6.204 -2.243 14.171 1.00 12.33 H new ATOM 0 HG3 GLN A 70 6.556 -0.540 14.379 1.00 12.33 H new ATOM 0 HE21 GLN A 70 5.711 -0.376 16.498 1.00 53.21 H new ATOM 0 HE22 GLN A 70 4.006 -0.652 16.870 1.00 53.21 H new ATOM 1149 N THR A 71 5.528 0.187 9.812 1.00 64.51 N ATOM 1150 CA THR A 71 4.807 0.424 8.566 1.00 4.01 C ATOM 1151 C THR A 71 5.709 0.151 7.346 1.00 42.10 C ATOM 1152 O THR A 71 5.222 -0.327 6.335 1.00 15.52 O ATOM 1153 CB THR A 71 4.172 1.862 8.515 1.00 60.53 C ATOM 1154 OG1 THR A 71 3.022 1.836 7.674 1.00 21.43 O ATOM 1155 CG2 THR A 71 5.119 2.962 7.998 1.00 4.42 C ATOM 0 H THR A 71 5.699 1.030 10.361 1.00 64.51 H new ATOM 0 HA THR A 71 3.977 -0.282 8.529 1.00 4.01 H new ATOM 0 HB THR A 71 3.928 2.115 9.547 1.00 60.53 H new ATOM 0 HG1 THR A 71 2.221 1.690 8.219 1.00 21.43 H new ATOM 0 HG21 THR A 71 4.598 3.919 7.997 1.00 4.42 H new ATOM 0 HG22 THR A 71 5.992 3.025 8.647 1.00 4.42 H new ATOM 0 HG23 THR A 71 5.437 2.721 6.984 1.00 4.42 H new ATOM 1163 N LEU A 72 7.032 0.418 7.484 1.00 15.22 N ATOM 1164 CA LEU A 72 8.037 0.126 6.441 1.00 53.42 C ATOM 1165 C LEU A 72 8.160 -1.385 6.232 1.00 5.31 C ATOM 1166 O LEU A 72 8.195 -1.864 5.099 1.00 24.11 O ATOM 1167 CB LEU A 72 9.430 0.718 6.812 1.00 44.15 C ATOM 1168 CG LEU A 72 9.558 2.270 6.760 1.00 13.15 C ATOM 1169 CD1 LEU A 72 10.911 2.732 7.337 1.00 73.42 C ATOM 1170 CD2 LEU A 72 9.348 2.800 5.323 1.00 10.13 C ATOM 0 H LEU A 72 7.428 0.842 8.323 1.00 15.22 H new ATOM 0 HA LEU A 72 7.700 0.595 5.517 1.00 53.42 H new ATOM 0 HB2 LEU A 72 9.685 0.388 7.819 1.00 44.15 H new ATOM 0 HB3 LEU A 72 10.173 0.291 6.139 1.00 44.15 H new ATOM 0 HG LEU A 72 8.770 2.692 7.383 1.00 13.15 H new ATOM 0 HD11 LEU A 72 10.975 3.819 7.289 1.00 73.42 H new ATOM 0 HD12 LEU A 72 10.993 2.409 8.375 1.00 73.42 H new ATOM 0 HD13 LEU A 72 11.723 2.295 6.756 1.00 73.42 H new ATOM 0 HD21 LEU A 72 9.443 3.886 5.318 1.00 10.13 H new ATOM 0 HD22 LEU A 72 10.099 2.367 4.662 1.00 10.13 H new ATOM 0 HD23 LEU A 72 8.354 2.521 4.974 1.00 10.13 H new ATOM 1182 N ASP A 73 8.218 -2.114 7.351 1.00 72.14 N ATOM 1183 CA ASP A 73 8.356 -3.577 7.360 1.00 20.22 C ATOM 1184 C ASP A 73 7.158 -4.241 6.644 1.00 2.34 C ATOM 1185 O ASP A 73 7.333 -5.042 5.708 1.00 61.01 O ATOM 1186 CB ASP A 73 8.467 -4.061 8.830 1.00 20.12 C ATOM 1187 CG ASP A 73 8.606 -5.580 8.958 1.00 32.24 C ATOM 1188 OD1 ASP A 73 7.608 -6.252 9.260 1.00 24.02 O ATOM 1189 OD2 ASP A 73 9.719 -6.105 8.746 1.00 33.52 O ATOM 0 H ASP A 73 8.170 -1.704 8.284 1.00 72.14 H new ATOM 0 HA ASP A 73 9.258 -3.864 6.819 1.00 20.22 H new ATOM 0 HB2 ASP A 73 9.328 -3.584 9.298 1.00 20.12 H new ATOM 0 HB3 ASP A 73 7.584 -3.736 9.380 1.00 20.12 H new ATOM 1194 N ASN A 74 5.950 -3.839 7.060 1.00 64.23 N ATOM 1195 CA ASN A 74 4.689 -4.393 6.546 1.00 30.04 C ATOM 1196 C ASN A 74 4.495 -4.049 5.058 1.00 30.14 C ATOM 1197 O ASN A 74 4.148 -4.915 4.252 1.00 22.44 O ATOM 1198 CB ASN A 74 3.498 -3.853 7.379 1.00 30.50 C ATOM 1199 CG ASN A 74 3.588 -4.136 8.890 1.00 40.22 C ATOM 1200 OD1 ASN A 74 4.169 -5.265 9.293 1.00 24.43 O flip ATOM 1201 ND2 ASN A 74 3.120 -3.340 9.702 1.00 15.43 N flip ATOM 0 H ASN A 74 5.819 -3.116 7.767 1.00 64.23 H new ATOM 0 HA ASN A 74 4.731 -5.478 6.637 1.00 30.04 H new ATOM 0 HB2 ASN A 74 3.426 -2.776 7.229 1.00 30.50 H new ATOM 0 HB3 ASN A 74 2.576 -4.291 6.996 1.00 30.50 H new ATOM 0 HD21 ASN A 74 2.678 -2.480 9.377 1.00 15.43 H new ATOM 0 HD22 ASN A 74 3.173 -3.540 10.701 1.00 15.43 H new ATOM 1208 N GLU A 75 4.766 -2.781 4.719 1.00 22.34 N ATOM 1209 CA GLU A 75 4.593 -2.226 3.361 1.00 53.23 C ATOM 1210 C GLU A 75 5.626 -2.793 2.369 1.00 3.34 C ATOM 1211 O GLU A 75 5.348 -2.901 1.168 1.00 21.25 O ATOM 1212 CB GLU A 75 4.661 -0.688 3.450 1.00 65.32 C ATOM 1213 CG GLU A 75 4.527 0.096 2.140 1.00 73.31 C ATOM 1214 CD GLU A 75 4.507 1.616 2.381 1.00 22.12 C ATOM 1215 OE1 GLU A 75 3.441 2.246 2.210 1.00 24.23 O ATOM 1216 OE2 GLU A 75 5.544 2.169 2.799 1.00 22.12 O ATOM 0 H GLU A 75 5.118 -2.097 5.389 1.00 22.34 H new ATOM 0 HA GLU A 75 3.619 -2.523 2.971 1.00 53.23 H new ATOM 0 HB2 GLU A 75 3.874 -0.354 4.126 1.00 65.32 H new ATOM 0 HB3 GLU A 75 5.612 -0.418 3.910 1.00 65.32 H new ATOM 0 HG2 GLU A 75 5.357 -0.156 1.479 1.00 73.31 H new ATOM 0 HG3 GLU A 75 3.611 -0.203 1.630 1.00 73.31 H new ATOM 1223 N GLN A 76 6.804 -3.181 2.883 1.00 24.55 N ATOM 1224 CA GLN A 76 7.845 -3.838 2.076 1.00 11.12 C ATOM 1225 C GLN A 76 7.390 -5.260 1.699 1.00 44.04 C ATOM 1226 O GLN A 76 7.560 -5.706 0.557 1.00 61.44 O ATOM 1227 CB GLN A 76 9.189 -3.883 2.846 1.00 2.02 C ATOM 1228 CG GLN A 76 10.372 -4.427 2.021 1.00 20.33 C ATOM 1229 CD GLN A 76 11.711 -4.457 2.763 1.00 44.15 C ATOM 1230 OE1 GLN A 76 12.771 -4.281 2.156 1.00 22.35 O ATOM 1231 NE2 GLN A 76 11.692 -4.711 4.066 1.00 63.31 N ATOM 0 H GLN A 76 7.061 -3.050 3.861 1.00 24.55 H new ATOM 0 HA GLN A 76 7.999 -3.261 1.164 1.00 11.12 H new ATOM 0 HB2 GLN A 76 9.432 -2.877 3.189 1.00 2.02 H new ATOM 0 HB3 GLN A 76 9.065 -4.502 3.735 1.00 2.02 H new ATOM 0 HG2 GLN A 76 10.132 -5.438 1.691 1.00 20.33 H new ATOM 0 HG3 GLN A 76 10.483 -3.817 1.125 1.00 20.33 H new ATOM 0 HE21 GLN A 76 10.803 -4.853 4.545 1.00 63.31 H new ATOM 0 HE22 GLN A 76 12.567 -4.764 4.588 1.00 63.31 H new ATOM 1240 N LEU A 77 6.788 -5.959 2.687 1.00 42.44 N ATOM 1241 CA LEU A 77 6.200 -7.294 2.472 1.00 35.42 C ATOM 1242 C LEU A 77 4.991 -7.221 1.517 1.00 21.12 C ATOM 1243 O LEU A 77 4.732 -8.175 0.790 1.00 10.54 O ATOM 1244 CB LEU A 77 5.789 -7.943 3.816 1.00 64.34 C ATOM 1245 CG LEU A 77 6.940 -8.260 4.817 1.00 4.14 C ATOM 1246 CD1 LEU A 77 6.388 -8.903 6.104 1.00 71.01 C ATOM 1247 CD2 LEU A 77 8.023 -9.145 4.167 1.00 15.33 C ATOM 0 H LEU A 77 6.698 -5.616 3.644 1.00 42.44 H new ATOM 0 HA LEU A 77 6.963 -7.920 2.009 1.00 35.42 H new ATOM 0 HB2 LEU A 77 5.079 -7.281 4.311 1.00 64.34 H new ATOM 0 HB3 LEU A 77 5.261 -8.871 3.599 1.00 64.34 H new ATOM 0 HG LEU A 77 7.413 -7.317 5.091 1.00 4.14 H new ATOM 0 HD11 LEU A 77 7.211 -9.115 6.787 1.00 71.01 H new ATOM 0 HD12 LEU A 77 5.688 -8.218 6.582 1.00 71.01 H new ATOM 0 HD13 LEU A 77 5.875 -9.832 5.855 1.00 71.01 H new ATOM 0 HD21 LEU A 77 8.811 -9.347 4.892 1.00 15.33 H new ATOM 0 HD22 LEU A 77 7.578 -10.086 3.843 1.00 15.33 H new ATOM 0 HD23 LEU A 77 8.446 -8.628 3.306 1.00 15.33 H new ATOM 1259 N LEU A 78 4.258 -6.079 1.537 1.00 52.52 N ATOM 1260 CA LEU A 78 3.169 -5.808 0.571 1.00 12.35 C ATOM 1261 C LEU A 78 3.730 -5.752 -0.848 1.00 50.14 C ATOM 1262 O LEU A 78 3.201 -6.395 -1.746 1.00 35.15 O ATOM 1263 CB LEU A 78 2.453 -4.465 0.860 1.00 5.44 C ATOM 1264 CG LEU A 78 1.671 -4.361 2.188 1.00 13.21 C ATOM 1265 CD1 LEU A 78 1.158 -2.919 2.384 1.00 22.30 C ATOM 1266 CD2 LEU A 78 0.526 -5.401 2.247 1.00 60.13 C ATOM 0 H LEU A 78 4.404 -5.331 2.215 1.00 52.52 H new ATOM 0 HA LEU A 78 2.448 -6.619 0.673 1.00 12.35 H new ATOM 0 HB2 LEU A 78 3.200 -3.672 0.844 1.00 5.44 H new ATOM 0 HB3 LEU A 78 1.760 -4.267 0.042 1.00 5.44 H new ATOM 0 HG LEU A 78 2.344 -4.593 3.014 1.00 13.21 H new ATOM 0 HD11 LEU A 78 0.607 -2.853 3.322 1.00 22.30 H new ATOM 0 HD12 LEU A 78 2.004 -2.232 2.411 1.00 22.30 H new ATOM 0 HD13 LEU A 78 0.500 -2.652 1.558 1.00 22.30 H new ATOM 0 HD21 LEU A 78 -0.006 -5.303 3.193 1.00 60.13 H new ATOM 0 HD22 LEU A 78 -0.166 -5.228 1.422 1.00 60.13 H new ATOM 0 HD23 LEU A 78 0.942 -6.405 2.167 1.00 60.13 H new ATOM 1278 N LYS A 79 4.811 -4.966 -1.017 1.00 50.01 N ATOM 1279 CA LYS A 79 5.473 -4.775 -2.311 1.00 53.24 C ATOM 1280 C LYS A 79 5.804 -6.140 -2.955 1.00 62.45 C ATOM 1281 O LYS A 79 5.356 -6.412 -4.063 1.00 0.24 O ATOM 1282 CB LYS A 79 6.749 -3.915 -2.133 1.00 51.30 C ATOM 1283 CG LYS A 79 7.588 -3.745 -3.418 1.00 34.24 C ATOM 1284 CD LYS A 79 8.875 -2.921 -3.196 1.00 71.42 C ATOM 1285 CE LYS A 79 9.807 -2.964 -4.419 1.00 75.54 C ATOM 1286 NZ LYS A 79 9.152 -2.424 -5.643 1.00 70.41 N ATOM 0 H LYS A 79 5.247 -4.447 -0.255 1.00 50.01 H new ATOM 0 HA LYS A 79 4.796 -4.246 -2.982 1.00 53.24 H new ATOM 0 HB2 LYS A 79 6.460 -2.929 -1.769 1.00 51.30 H new ATOM 0 HB3 LYS A 79 7.374 -4.368 -1.363 1.00 51.30 H new ATOM 0 HG2 LYS A 79 7.856 -4.729 -3.803 1.00 34.24 H new ATOM 0 HG3 LYS A 79 6.979 -3.259 -4.181 1.00 34.24 H new ATOM 0 HD2 LYS A 79 8.610 -1.886 -2.979 1.00 71.42 H new ATOM 0 HD3 LYS A 79 9.404 -3.304 -2.324 1.00 71.42 H new ATOM 0 HE2 LYS A 79 10.709 -2.389 -4.207 1.00 75.54 H new ATOM 0 HE3 LYS A 79 10.120 -3.992 -4.600 1.00 75.54 H new ATOM 0 HZ1 LYS A 79 9.816 -2.472 -6.442 1.00 70.41 H new ATOM 0 HZ2 LYS A 79 8.306 -2.988 -5.861 1.00 70.41 H new ATOM 0 HZ3 LYS A 79 8.876 -1.434 -5.481 1.00 70.41 H new ATOM 1300 N GLY A 80 6.529 -7.003 -2.205 1.00 1.22 N ATOM 1301 CA GLY A 80 6.902 -8.344 -2.687 1.00 64.32 C ATOM 1302 C GLY A 80 5.703 -9.260 -2.964 1.00 32.02 C ATOM 1303 O GLY A 80 5.509 -9.707 -4.102 1.00 20.32 O ATOM 0 H GLY A 80 6.865 -6.790 -1.266 1.00 1.22 H new ATOM 0 HA2 GLY A 80 7.487 -8.241 -3.601 1.00 64.32 H new ATOM 0 HA3 GLY A 80 7.547 -8.819 -1.947 1.00 64.32 H new ATOM 1307 N LEU A 81 4.880 -9.490 -1.915 1.00 64.45 N ATOM 1308 CA LEU A 81 3.732 -10.434 -1.936 1.00 2.23 C ATOM 1309 C LEU A 81 2.754 -10.072 -3.064 1.00 41.42 C ATOM 1310 O LEU A 81 2.467 -10.901 -3.938 1.00 24.33 O ATOM 1311 CB LEU A 81 3.035 -10.417 -0.531 1.00 25.25 C ATOM 1312 CG LEU A 81 1.973 -11.536 -0.183 1.00 62.33 C ATOM 1313 CD1 LEU A 81 1.728 -11.586 1.342 1.00 31.32 C ATOM 1314 CD2 LEU A 81 0.618 -11.350 -0.917 1.00 62.51 C ATOM 0 H LEU A 81 4.994 -9.020 -1.017 1.00 64.45 H new ATOM 0 HA LEU A 81 4.086 -11.445 -2.137 1.00 2.23 H new ATOM 0 HB2 LEU A 81 3.819 -10.462 0.225 1.00 25.25 H new ATOM 0 HB3 LEU A 81 2.542 -9.451 -0.421 1.00 25.25 H new ATOM 0 HG LEU A 81 2.399 -12.477 -0.531 1.00 62.33 H new ATOM 0 HD11 LEU A 81 0.995 -12.360 1.568 1.00 31.32 H new ATOM 0 HD12 LEU A 81 2.664 -11.812 1.854 1.00 31.32 H new ATOM 0 HD13 LEU A 81 1.352 -10.621 1.682 1.00 31.32 H new ATOM 0 HD21 LEU A 81 -0.063 -12.152 -0.632 1.00 62.51 H new ATOM 0 HD22 LEU A 81 0.183 -10.389 -0.641 1.00 62.51 H new ATOM 0 HD23 LEU A 81 0.781 -11.378 -1.994 1.00 62.51 H new ATOM 1326 N LEU A 82 2.274 -8.814 -3.040 1.00 11.03 N ATOM 1327 CA LEU A 82 1.269 -8.327 -3.991 1.00 3.43 C ATOM 1328 C LEU A 82 1.829 -8.317 -5.427 1.00 50.31 C ATOM 1329 O LEU A 82 1.087 -8.601 -6.341 1.00 44.11 O ATOM 1330 CB LEU A 82 0.733 -6.918 -3.594 1.00 24.33 C ATOM 1331 CG LEU A 82 0.103 -6.786 -2.169 1.00 61.12 C ATOM 1332 CD1 LEU A 82 -0.405 -5.347 -1.910 1.00 73.01 C ATOM 1333 CD2 LEU A 82 -1.005 -7.829 -1.938 1.00 13.32 C ATOM 0 H LEU A 82 2.573 -8.113 -2.362 1.00 11.03 H new ATOM 0 HA LEU A 82 0.427 -9.018 -3.957 1.00 3.43 H new ATOM 0 HB2 LEU A 82 1.555 -6.206 -3.671 1.00 24.33 H new ATOM 0 HB3 LEU A 82 -0.016 -6.619 -4.327 1.00 24.33 H new ATOM 0 HG LEU A 82 0.891 -6.991 -1.444 1.00 61.12 H new ATOM 0 HD11 LEU A 82 -0.837 -5.288 -0.911 1.00 73.01 H new ATOM 0 HD12 LEU A 82 0.428 -4.648 -1.987 1.00 73.01 H new ATOM 0 HD13 LEU A 82 -1.164 -5.090 -2.649 1.00 73.01 H new ATOM 0 HD21 LEU A 82 -1.418 -7.705 -0.937 1.00 13.32 H new ATOM 0 HD22 LEU A 82 -1.795 -7.690 -2.676 1.00 13.32 H new ATOM 0 HD23 LEU A 82 -0.588 -8.831 -2.037 1.00 13.32 H new ATOM 1345 N GLN A 83 3.142 -8.013 -5.606 1.00 30.25 N ATOM 1346 CA GLN A 83 3.785 -7.992 -6.952 1.00 23.32 C ATOM 1347 C GLN A 83 3.734 -9.373 -7.618 1.00 62.32 C ATOM 1348 O GLN A 83 3.508 -9.479 -8.830 1.00 35.30 O ATOM 1349 CB GLN A 83 5.247 -7.502 -6.838 1.00 0.41 C ATOM 1350 CG GLN A 83 5.998 -7.323 -8.171 1.00 2.00 C ATOM 1351 CD GLN A 83 7.411 -6.749 -8.008 1.00 14.20 C ATOM 1352 OE1 GLN A 83 8.087 -7.067 -6.900 1.00 21.23 O flip ATOM 1353 NE2 GLN A 83 7.905 -6.039 -8.881 1.00 33.21 N flip ATOM 0 H GLN A 83 3.775 -7.780 -4.841 1.00 30.25 H new ATOM 0 HA GLN A 83 3.226 -7.299 -7.581 1.00 23.32 H new ATOM 0 HB2 GLN A 83 5.251 -6.549 -6.309 1.00 0.41 H new ATOM 0 HB3 GLN A 83 5.801 -8.210 -6.222 1.00 0.41 H new ATOM 0 HG2 GLN A 83 6.063 -8.288 -8.674 1.00 2.00 H new ATOM 0 HG3 GLN A 83 5.420 -6.664 -8.818 1.00 2.00 H new ATOM 0 HE21 GLN A 83 7.368 -5.811 -9.718 1.00 33.21 H new ATOM 0 HE22 GLN A 83 8.852 -5.678 -8.769 1.00 33.21 H new ATOM 1362 N GLN A 84 3.948 -10.420 -6.802 1.00 60.12 N ATOM 1363 CA GLN A 84 3.828 -11.823 -7.236 1.00 63.55 C ATOM 1364 C GLN A 84 2.388 -12.115 -7.693 1.00 65.41 C ATOM 1365 O GLN A 84 2.170 -12.585 -8.812 1.00 23.12 O ATOM 1366 CB GLN A 84 4.239 -12.759 -6.075 1.00 71.41 C ATOM 1367 CG GLN A 84 5.690 -12.556 -5.591 1.00 50.13 C ATOM 1368 CD GLN A 84 6.028 -13.284 -4.287 1.00 23.05 C ATOM 1369 OE1 GLN A 84 6.847 -12.811 -3.497 1.00 21.42 O ATOM 1370 NE2 GLN A 84 5.430 -14.446 -4.051 1.00 23.14 N ATOM 0 H GLN A 84 4.209 -10.317 -5.821 1.00 60.12 H new ATOM 0 HA GLN A 84 4.493 -12.001 -8.081 1.00 63.55 H new ATOM 0 HB2 GLN A 84 3.561 -12.600 -5.236 1.00 71.41 H new ATOM 0 HB3 GLN A 84 4.114 -13.794 -6.394 1.00 71.41 H new ATOM 0 HG2 GLN A 84 6.371 -12.897 -6.371 1.00 50.13 H new ATOM 0 HG3 GLN A 84 5.869 -11.489 -5.455 1.00 50.13 H new ATOM 0 HE21 GLN A 84 4.755 -14.817 -4.720 1.00 23.14 H new ATOM 0 HE22 GLN A 84 5.645 -14.967 -3.201 1.00 23.14 H new ATOM 1379 N ARG A 85 1.419 -11.746 -6.827 1.00 21.42 N ATOM 1380 CA ARG A 85 -0.027 -11.961 -7.060 1.00 31.41 C ATOM 1381 C ARG A 85 -0.506 -11.259 -8.349 1.00 11.30 C ATOM 1382 O ARG A 85 -1.234 -11.847 -9.149 1.00 44.54 O ATOM 1383 CB ARG A 85 -0.834 -11.439 -5.837 1.00 50.12 C ATOM 1384 CG ARG A 85 -0.464 -12.112 -4.488 1.00 62.22 C ATOM 1385 CD ARG A 85 -1.226 -13.413 -4.195 1.00 64.52 C ATOM 1386 NE ARG A 85 -1.065 -14.459 -5.216 1.00 32.23 N ATOM 1387 CZ ARG A 85 -1.856 -15.545 -5.322 1.00 62.23 C ATOM 1388 NH1 ARG A 85 -2.873 -15.748 -4.483 1.00 54.41 N ATOM 1389 NH2 ARG A 85 -1.615 -16.431 -6.268 1.00 11.13 N ATOM 0 H ARG A 85 1.620 -11.287 -5.939 1.00 21.42 H new ATOM 0 HA ARG A 85 -0.196 -13.031 -7.184 1.00 31.41 H new ATOM 0 HB2 ARG A 85 -0.679 -10.364 -5.747 1.00 50.12 H new ATOM 0 HB3 ARG A 85 -1.896 -11.593 -6.026 1.00 50.12 H new ATOM 0 HG2 ARG A 85 0.605 -12.323 -4.483 1.00 62.22 H new ATOM 0 HG3 ARG A 85 -0.653 -11.405 -3.680 1.00 62.22 H new ATOM 0 HD2 ARG A 85 -0.892 -13.806 -3.235 1.00 64.52 H new ATOM 0 HD3 ARG A 85 -2.287 -13.183 -4.093 1.00 64.52 H new ATOM 0 HE ARG A 85 -0.305 -14.356 -5.888 1.00 32.23 H new ATOM 0 HH11 ARG A 85 -3.065 -15.074 -3.742 1.00 54.41 H new ATOM 0 HH12 ARG A 85 -3.458 -16.577 -4.582 1.00 54.41 H new ATOM 0 HH21 ARG A 85 -0.836 -16.291 -6.911 1.00 11.13 H new ATOM 0 HH22 ARG A 85 -2.208 -17.256 -6.357 1.00 11.13 H new ATOM 1403 N LEU A 86 -0.054 -10.008 -8.524 1.00 65.43 N ATOM 1404 CA LEU A 86 -0.420 -9.142 -9.661 1.00 25.12 C ATOM 1405 C LEU A 86 0.194 -9.639 -10.971 1.00 31.11 C ATOM 1406 O LEU A 86 -0.435 -9.544 -12.022 1.00 23.11 O ATOM 1407 CB LEU A 86 0.024 -7.678 -9.391 1.00 74.21 C ATOM 1408 CG LEU A 86 -0.727 -6.950 -8.240 1.00 24.23 C ATOM 1409 CD1 LEU A 86 -0.158 -5.541 -8.008 1.00 61.21 C ATOM 1410 CD2 LEU A 86 -2.242 -6.919 -8.506 1.00 14.15 C ATOM 0 H LEU A 86 0.587 -9.560 -7.870 1.00 65.43 H new ATOM 0 HA LEU A 86 -1.505 -9.177 -9.763 1.00 25.12 H new ATOM 0 HB2 LEU A 86 1.090 -7.677 -9.163 1.00 74.21 H new ATOM 0 HB3 LEU A 86 -0.107 -7.103 -10.307 1.00 74.21 H new ATOM 0 HG LEU A 86 -0.568 -7.515 -7.321 1.00 24.23 H new ATOM 0 HD11 LEU A 86 -0.703 -5.057 -7.198 1.00 61.21 H new ATOM 0 HD12 LEU A 86 0.897 -5.614 -7.743 1.00 61.21 H new ATOM 0 HD13 LEU A 86 -0.263 -4.952 -8.919 1.00 61.21 H new ATOM 0 HD21 LEU A 86 -2.745 -6.405 -7.687 1.00 14.15 H new ATOM 0 HD22 LEU A 86 -2.437 -6.391 -9.440 1.00 14.15 H new ATOM 0 HD23 LEU A 86 -2.619 -7.939 -8.580 1.00 14.15 H new ATOM 1422 N ASP A 87 1.427 -10.166 -10.885 1.00 24.42 N ATOM 1423 CA ASP A 87 2.145 -10.718 -12.049 1.00 62.14 C ATOM 1424 C ASP A 87 1.389 -11.948 -12.595 1.00 52.42 C ATOM 1425 O ASP A 87 1.290 -12.152 -13.813 1.00 21.52 O ATOM 1426 CB ASP A 87 3.600 -11.090 -11.659 1.00 73.35 C ATOM 1427 CG ASP A 87 4.464 -11.469 -12.872 1.00 62.12 C ATOM 1428 OD1 ASP A 87 4.990 -10.558 -13.543 1.00 4.13 O ATOM 1429 OD2 ASP A 87 4.616 -12.675 -13.164 1.00 61.24 O ATOM 0 H ASP A 87 1.953 -10.222 -10.013 1.00 24.42 H new ATOM 0 HA ASP A 87 2.189 -9.962 -12.833 1.00 62.14 H new ATOM 0 HB2 ASP A 87 4.059 -10.248 -11.141 1.00 73.35 H new ATOM 0 HB3 ASP A 87 3.581 -11.924 -10.957 1.00 73.35 H new ATOM 1434 N GLU A 88 0.833 -12.736 -11.656 1.00 32.44 N ATOM 1435 CA GLU A 88 -0.022 -13.895 -11.966 1.00 0.30 C ATOM 1436 C GLU A 88 -1.324 -13.441 -12.649 1.00 23.34 C ATOM 1437 O GLU A 88 -1.691 -13.983 -13.692 1.00 40.31 O ATOM 1438 CB GLU A 88 -0.332 -14.682 -10.670 1.00 2.33 C ATOM 1439 CG GLU A 88 0.917 -15.238 -9.973 1.00 11.20 C ATOM 1440 CD GLU A 88 0.604 -15.915 -8.637 1.00 24.14 C ATOM 1441 OE1 GLU A 88 0.183 -17.094 -8.640 1.00 71.02 O ATOM 1442 OE2 GLU A 88 0.745 -15.265 -7.580 1.00 2.44 O ATOM 0 H GLU A 88 0.966 -12.585 -10.656 1.00 32.44 H new ATOM 0 HA GLU A 88 0.510 -14.550 -12.656 1.00 0.30 H new ATOM 0 HB2 GLU A 88 -0.864 -14.029 -9.977 1.00 2.33 H new ATOM 0 HB3 GLU A 88 -1.002 -15.508 -10.908 1.00 2.33 H new ATOM 0 HG2 GLU A 88 1.405 -15.956 -10.632 1.00 11.20 H new ATOM 0 HG3 GLU A 88 1.625 -14.426 -9.806 1.00 11.20 H new ATOM 1449 N LEU A 89 -1.988 -12.410 -12.063 1.00 74.41 N ATOM 1450 CA LEU A 89 -3.244 -11.833 -12.604 1.00 75.24 C ATOM 1451 C LEU A 89 -3.032 -11.287 -14.029 1.00 74.32 C ATOM 1452 O LEU A 89 -3.866 -11.501 -14.904 1.00 31.42 O ATOM 1453 CB LEU A 89 -3.801 -10.710 -11.672 1.00 41.14 C ATOM 1454 CG LEU A 89 -4.239 -11.163 -10.243 1.00 20.32 C ATOM 1455 CD1 LEU A 89 -4.708 -9.958 -9.399 1.00 72.21 C ATOM 1456 CD2 LEU A 89 -5.326 -12.264 -10.310 1.00 71.32 C ATOM 0 H LEU A 89 -1.668 -11.958 -11.206 1.00 74.41 H new ATOM 0 HA LEU A 89 -3.980 -12.636 -12.646 1.00 75.24 H new ATOM 0 HB2 LEU A 89 -3.038 -9.938 -11.569 1.00 41.14 H new ATOM 0 HB3 LEU A 89 -4.657 -10.248 -12.164 1.00 41.14 H new ATOM 0 HG LEU A 89 -3.369 -11.595 -9.749 1.00 20.32 H new ATOM 0 HD11 LEU A 89 -5.007 -10.302 -8.409 1.00 72.21 H new ATOM 0 HD12 LEU A 89 -3.892 -9.241 -9.303 1.00 72.21 H new ATOM 0 HD13 LEU A 89 -5.556 -9.479 -9.888 1.00 72.21 H new ATOM 0 HD21 LEU A 89 -5.609 -12.558 -9.299 1.00 71.32 H new ATOM 0 HD22 LEU A 89 -6.201 -11.880 -10.835 1.00 71.32 H new ATOM 0 HD23 LEU A 89 -4.934 -13.130 -10.843 1.00 71.32 H new ATOM 1468 N SER A 90 -1.878 -10.626 -14.237 1.00 44.42 N ATOM 1469 CA SER A 90 -1.482 -10.024 -15.526 1.00 22.11 C ATOM 1470 C SER A 90 -1.319 -11.106 -16.616 1.00 70.24 C ATOM 1471 O SER A 90 -1.718 -10.905 -17.773 1.00 11.00 O ATOM 1472 CB SER A 90 -0.157 -9.243 -15.348 1.00 14.23 C ATOM 1473 OG SER A 90 0.263 -8.632 -16.558 1.00 20.45 O ATOM 0 H SER A 90 -1.183 -10.493 -13.503 1.00 44.42 H new ATOM 0 HA SER A 90 -2.268 -9.340 -15.846 1.00 22.11 H new ATOM 0 HB2 SER A 90 -0.286 -8.479 -14.581 1.00 14.23 H new ATOM 0 HB3 SER A 90 0.620 -9.921 -14.995 1.00 14.23 H new ATOM 0 HG SER A 90 1.101 -8.147 -16.406 1.00 20.45 H new ATOM 1479 N SER A 91 -0.722 -12.251 -16.212 1.00 15.34 N ATOM 1480 CA SER A 91 -0.560 -13.430 -17.074 1.00 64.40 C ATOM 1481 C SER A 91 -1.940 -13.989 -17.467 1.00 62.43 C ATOM 1482 O SER A 91 -2.189 -14.261 -18.643 1.00 23.11 O ATOM 1483 CB SER A 91 0.280 -14.508 -16.347 1.00 72.14 C ATOM 1484 OG SER A 91 0.539 -15.621 -17.185 1.00 72.13 O ATOM 0 H SER A 91 -0.340 -12.377 -15.275 1.00 15.34 H new ATOM 0 HA SER A 91 -0.034 -13.138 -17.983 1.00 64.40 H new ATOM 0 HB2 SER A 91 1.223 -14.073 -16.017 1.00 72.14 H new ATOM 0 HB3 SER A 91 -0.248 -14.840 -15.453 1.00 72.14 H new ATOM 0 HG SER A 91 1.072 -16.282 -16.696 1.00 72.13 H new ATOM 1490 N LEU A 92 -2.833 -14.097 -16.459 1.00 2.51 N ATOM 1491 CA LEU A 92 -4.207 -14.610 -16.624 1.00 52.02 C ATOM 1492 C LEU A 92 -5.013 -13.751 -17.617 1.00 24.53 C ATOM 1493 O LEU A 92 -5.770 -14.299 -18.426 1.00 43.14 O ATOM 1494 CB LEU A 92 -4.927 -14.681 -15.245 1.00 72.11 C ATOM 1495 CG LEU A 92 -4.342 -15.708 -14.225 1.00 34.11 C ATOM 1496 CD1 LEU A 92 -5.047 -15.604 -12.858 1.00 32.42 C ATOM 1497 CD2 LEU A 92 -4.404 -17.145 -14.782 1.00 42.44 C ATOM 0 H LEU A 92 -2.616 -13.827 -15.499 1.00 2.51 H new ATOM 0 HA LEU A 92 -4.143 -15.617 -17.037 1.00 52.02 H new ATOM 0 HB2 LEU A 92 -4.900 -13.691 -14.791 1.00 72.11 H new ATOM 0 HB3 LEU A 92 -5.976 -14.924 -15.416 1.00 72.11 H new ATOM 0 HG LEU A 92 -3.292 -15.460 -14.071 1.00 34.11 H new ATOM 0 HD11 LEU A 92 -4.617 -16.332 -12.170 1.00 32.42 H new ATOM 0 HD12 LEU A 92 -4.912 -14.600 -12.455 1.00 32.42 H new ATOM 0 HD13 LEU A 92 -6.111 -15.806 -12.981 1.00 32.42 H new ATOM 0 HD21 LEU A 92 -3.990 -17.837 -14.049 1.00 42.44 H new ATOM 0 HD22 LEU A 92 -5.441 -17.411 -14.987 1.00 42.44 H new ATOM 0 HD23 LEU A 92 -3.825 -17.203 -15.704 1.00 42.44 H new ATOM 1509 N ILE A 93 -4.824 -12.408 -17.553 1.00 52.54 N ATOM 1510 CA ILE A 93 -5.436 -11.454 -18.505 1.00 22.34 C ATOM 1511 C ILE A 93 -4.919 -11.745 -19.928 1.00 32.12 C ATOM 1512 O ILE A 93 -5.700 -11.839 -20.868 1.00 10.03 O ATOM 1513 CB ILE A 93 -5.131 -9.943 -18.134 1.00 24.44 C ATOM 1514 CG1 ILE A 93 -5.628 -9.606 -16.697 1.00 75.01 C ATOM 1515 CG2 ILE A 93 -5.765 -8.968 -19.164 1.00 15.12 C ATOM 1516 CD1 ILE A 93 -5.247 -8.221 -16.183 1.00 63.40 C ATOM 0 H ILE A 93 -4.245 -11.961 -16.842 1.00 52.54 H new ATOM 0 HA ILE A 93 -6.516 -11.591 -18.452 1.00 22.34 H new ATOM 0 HB ILE A 93 -4.049 -9.815 -18.164 1.00 24.44 H new ATOM 0 HG12 ILE A 93 -6.714 -9.697 -16.675 1.00 75.01 H new ATOM 0 HG13 ILE A 93 -5.231 -10.353 -16.009 1.00 75.01 H new ATOM 0 HG21 ILE A 93 -5.537 -7.941 -18.880 1.00 15.12 H new ATOM 0 HG22 ILE A 93 -5.358 -9.170 -20.155 1.00 15.12 H new ATOM 0 HG23 ILE A 93 -6.846 -9.109 -19.181 1.00 15.12 H new ATOM 0 HD11 ILE A 93 -5.640 -8.086 -15.175 1.00 63.40 H new ATOM 0 HD12 ILE A 93 -4.161 -8.126 -16.165 1.00 63.40 H new ATOM 0 HD13 ILE A 93 -5.667 -7.460 -16.841 1.00 63.40 H new ATOM 1528 N GLY A 94 -3.591 -11.931 -20.049 1.00 12.02 N ATOM 1529 CA GLY A 94 -2.951 -12.205 -21.340 1.00 53.32 C ATOM 1530 C GLY A 94 -3.424 -13.502 -22.004 1.00 44.51 C ATOM 1531 O GLY A 94 -3.376 -13.626 -23.235 1.00 73.11 O ATOM 0 H GLY A 94 -2.942 -11.895 -19.263 1.00 12.02 H new ATOM 0 HA2 GLY A 94 -3.145 -11.371 -22.015 1.00 53.32 H new ATOM 0 HA3 GLY A 94 -1.872 -12.255 -21.196 1.00 53.32 H new ATOM 1535 N GLN A 95 -3.880 -14.468 -21.181 1.00 42.24 N ATOM 1536 CA GLN A 95 -4.350 -15.784 -21.655 1.00 63.31 C ATOM 1537 C GLN A 95 -5.815 -15.717 -22.138 1.00 70.52 C ATOM 1538 O GLN A 95 -6.134 -16.175 -23.244 1.00 50.35 O ATOM 1539 CB GLN A 95 -4.212 -16.840 -20.524 1.00 61.12 C ATOM 1540 CG GLN A 95 -2.777 -17.046 -19.995 1.00 52.41 C ATOM 1541 CD GLN A 95 -1.799 -17.605 -21.033 1.00 3.33 C ATOM 1542 OE1 GLN A 95 -1.152 -16.860 -21.769 1.00 21.40 O ATOM 1543 NE2 GLN A 95 -1.664 -18.916 -21.085 1.00 33.53 N ATOM 0 H GLN A 95 -3.932 -14.357 -20.168 1.00 42.24 H new ATOM 0 HA GLN A 95 -3.728 -16.077 -22.501 1.00 63.31 H new ATOM 0 HB2 GLN A 95 -4.851 -16.544 -19.692 1.00 61.12 H new ATOM 0 HB3 GLN A 95 -4.588 -17.795 -20.891 1.00 61.12 H new ATOM 0 HG2 GLN A 95 -2.396 -16.092 -19.630 1.00 52.41 H new ATOM 0 HG3 GLN A 95 -2.810 -17.723 -19.142 1.00 52.41 H new ATOM 0 HE21 GLN A 95 -2.213 -19.510 -20.463 1.00 33.53 H new ATOM 0 HE22 GLN A 95 -1.011 -19.336 -21.747 1.00 33.53 H new ATOM 1552 N VAL A 96 -6.707 -15.146 -21.300 1.00 42.11 N ATOM 1553 CA VAL A 96 -8.166 -15.131 -21.576 1.00 42.22 C ATOM 1554 C VAL A 96 -8.563 -13.960 -22.508 1.00 25.20 C ATOM 1555 O VAL A 96 -9.328 -14.159 -23.461 1.00 40.20 O ATOM 1556 CB VAL A 96 -9.029 -15.118 -20.248 1.00 70.45 C ATOM 1557 CG1 VAL A 96 -8.806 -16.411 -19.428 1.00 44.01 C ATOM 1558 CG2 VAL A 96 -8.769 -13.862 -19.379 1.00 45.54 C ATOM 0 H VAL A 96 -6.446 -14.689 -20.426 1.00 42.11 H new ATOM 0 HA VAL A 96 -8.390 -16.062 -22.097 1.00 42.22 H new ATOM 0 HB VAL A 96 -10.074 -15.078 -20.556 1.00 70.45 H new ATOM 0 HG11 VAL A 96 -9.410 -16.376 -18.522 1.00 44.01 H new ATOM 0 HG12 VAL A 96 -9.097 -17.275 -20.025 1.00 44.01 H new ATOM 0 HG13 VAL A 96 -7.753 -16.494 -19.159 1.00 44.01 H new ATOM 0 HG21 VAL A 96 -9.387 -13.906 -18.482 1.00 45.54 H new ATOM 0 HG22 VAL A 96 -7.717 -13.828 -19.094 1.00 45.54 H new ATOM 0 HG23 VAL A 96 -9.020 -12.967 -19.949 1.00 45.54 H new ATOM 1568 N LEU A 97 -8.028 -12.753 -22.242 1.00 52.04 N ATOM 1569 CA LEU A 97 -8.334 -11.543 -23.032 1.00 54.21 C ATOM 1570 C LEU A 97 -7.547 -11.612 -24.353 1.00 44.42 C ATOM 1571 O LEU A 97 -6.307 -11.609 -24.339 1.00 51.44 O ATOM 1572 CB LEU A 97 -7.950 -10.234 -22.246 1.00 64.32 C ATOM 1573 CG LEU A 97 -8.785 -8.924 -22.522 1.00 42.55 C ATOM 1574 CD1 LEU A 97 -8.162 -7.710 -21.800 1.00 15.22 C ATOM 1575 CD2 LEU A 97 -8.991 -8.618 -24.023 1.00 60.31 C ATOM 0 H LEU A 97 -7.374 -12.589 -21.477 1.00 52.04 H new ATOM 0 HA LEU A 97 -9.406 -11.507 -23.228 1.00 54.21 H new ATOM 0 HB2 LEU A 97 -8.019 -10.454 -21.181 1.00 64.32 H new ATOM 0 HB3 LEU A 97 -6.904 -10.013 -22.459 1.00 64.32 H new ATOM 0 HG LEU A 97 -9.778 -9.115 -22.114 1.00 42.55 H new ATOM 0 HD11 LEU A 97 -8.756 -6.820 -22.006 1.00 15.22 H new ATOM 0 HD12 LEU A 97 -8.146 -7.895 -20.726 1.00 15.22 H new ATOM 0 HD13 LEU A 97 -7.144 -7.557 -22.157 1.00 15.22 H new ATOM 0 HD21 LEU A 97 -9.574 -7.703 -24.131 1.00 60.31 H new ATOM 0 HD22 LEU A 97 -8.022 -8.490 -24.505 1.00 60.31 H new ATOM 0 HD23 LEU A 97 -9.523 -9.445 -24.493 1.00 60.31 H new ATOM 1587 N PHE A 98 -8.271 -11.692 -25.479 1.00 72.01 N ATOM 1588 CA PHE A 98 -7.689 -11.495 -26.807 1.00 62.33 C ATOM 1589 C PHE A 98 -7.471 -9.979 -26.991 1.00 53.24 C ATOM 1590 O PHE A 98 -8.341 -9.271 -27.506 1.00 51.41 O ATOM 1591 CB PHE A 98 -8.623 -12.058 -27.915 1.00 63.41 C ATOM 1592 CG PHE A 98 -9.046 -13.511 -27.729 1.00 54.13 C ATOM 1593 CD1 PHE A 98 -8.141 -14.546 -27.933 1.00 42.12 C ATOM 1594 CD2 PHE A 98 -10.359 -13.844 -27.374 1.00 2.44 C ATOM 1595 CE1 PHE A 98 -8.523 -15.866 -27.784 1.00 63.43 C ATOM 1596 CE2 PHE A 98 -10.739 -15.164 -27.222 1.00 40.45 C ATOM 1597 CZ PHE A 98 -9.820 -16.173 -27.430 1.00 21.23 C ATOM 0 H PHE A 98 -9.271 -11.894 -25.491 1.00 72.01 H new ATOM 0 HA PHE A 98 -6.744 -12.031 -26.890 1.00 62.33 H new ATOM 0 HB2 PHE A 98 -9.519 -11.439 -27.963 1.00 63.41 H new ATOM 0 HB3 PHE A 98 -8.118 -11.963 -28.876 1.00 63.41 H new ATOM 0 HD1 PHE A 98 -7.124 -14.315 -28.212 1.00 42.12 H new ATOM 0 HD2 PHE A 98 -11.084 -13.059 -27.217 1.00 2.44 H new ATOM 0 HE1 PHE A 98 -7.806 -16.657 -27.945 1.00 63.43 H new ATOM 0 HE2 PHE A 98 -11.753 -15.406 -26.941 1.00 40.45 H new ATOM 0 HZ PHE A 98 -10.117 -17.205 -27.315 1.00 21.23 H new ATOM 1607 N GLN A 99 -6.338 -9.476 -26.468 1.00 14.20 N ATOM 1608 CA GLN A 99 -6.048 -8.022 -26.405 1.00 72.41 C ATOM 1609 C GLN A 99 -5.737 -7.427 -27.792 1.00 74.12 C ATOM 1610 O GLN A 99 -5.696 -6.204 -27.947 1.00 14.41 O ATOM 1611 CB GLN A 99 -4.917 -7.743 -25.355 1.00 73.13 C ATOM 1612 CG GLN A 99 -3.616 -8.578 -25.509 1.00 51.00 C ATOM 1613 CD GLN A 99 -2.680 -8.135 -26.641 1.00 2.12 C ATOM 1614 OE1 GLN A 99 -2.610 -6.840 -26.911 1.00 14.04 O flip ATOM 1615 NE2 GLN A 99 -1.990 -8.956 -27.246 1.00 53.14 N flip ATOM 0 H GLN A 99 -5.597 -10.059 -26.077 1.00 14.20 H new ATOM 0 HA GLN A 99 -6.948 -7.508 -26.067 1.00 72.41 H new ATOM 0 HB2 GLN A 99 -4.654 -6.686 -25.407 1.00 73.13 H new ATOM 0 HB3 GLN A 99 -5.323 -7.921 -24.359 1.00 73.13 H new ATOM 0 HG2 GLN A 99 -3.066 -8.538 -24.569 1.00 51.00 H new ATOM 0 HG3 GLN A 99 -3.891 -9.620 -25.674 1.00 51.00 H new ATOM 0 HE21 GLN A 99 -2.062 -9.948 -27.020 1.00 53.14 H new ATOM 0 HE22 GLN A 99 -1.346 -8.644 -27.973 1.00 53.14 H new ATOM 1624 N GLY A 100 -5.528 -8.307 -28.792 1.00 61.21 N ATOM 1625 CA GLY A 100 -5.268 -7.887 -30.164 1.00 64.41 C ATOM 1626 C GLY A 100 -5.276 -9.079 -31.121 1.00 33.15 C ATOM 1627 O GLY A 100 -6.216 -9.230 -31.906 1.00 13.14 O ATOM 0 H GLY A 100 -5.537 -9.319 -28.663 1.00 61.21 H new ATOM 0 HA2 GLY A 100 -6.022 -7.164 -30.474 1.00 64.41 H new ATOM 0 HA3 GLY A 100 -4.303 -7.383 -30.216 1.00 64.41 H new ATOM 1631 N PRO A 101 -4.226 -9.969 -31.079 1.00 22.21 N ATOM 1632 CA PRO A 101 -4.173 -11.203 -31.907 1.00 41.04 C ATOM 1633 C PRO A 101 -5.068 -12.348 -31.352 1.00 33.24 C ATOM 1634 O PRO A 101 -5.878 -12.131 -30.432 1.00 51.23 O ATOM 1635 CB PRO A 101 -2.650 -11.584 -31.883 1.00 0.13 C ATOM 1636 CG PRO A 101 -1.950 -10.463 -31.156 1.00 63.44 C ATOM 1637 CD PRO A 101 -2.993 -9.844 -30.260 1.00 11.21 C ATOM 0 HA PRO A 101 -4.562 -11.042 -32.913 1.00 41.04 H new ATOM 0 HB2 PRO A 101 -2.494 -12.535 -31.375 1.00 0.13 H new ATOM 0 HB3 PRO A 101 -2.260 -11.696 -32.895 1.00 0.13 H new ATOM 0 HG2 PRO A 101 -1.108 -10.839 -30.575 1.00 63.44 H new ATOM 0 HG3 PRO A 101 -1.551 -9.730 -31.857 1.00 63.44 H new ATOM 0 HD2 PRO A 101 -3.080 -10.373 -29.311 1.00 11.21 H new ATOM 0 HD3 PRO A 101 -2.763 -8.804 -30.026 1.00 11.21 H new ATOM 1645 N SER A 102 -4.901 -13.555 -31.953 1.00 51.22 N ATOM 1646 CA SER A 102 -5.628 -14.795 -31.586 1.00 11.34 C ATOM 1647 C SER A 102 -7.147 -14.689 -31.883 1.00 72.03 C ATOM 1648 O SER A 102 -7.965 -15.375 -31.258 1.00 10.31 O ATOM 1649 CB SER A 102 -5.339 -15.182 -30.110 1.00 14.42 C ATOM 1650 OG SER A 102 -3.945 -15.315 -29.883 1.00 50.11 O ATOM 0 H SER A 102 -4.244 -13.694 -32.721 1.00 51.22 H new ATOM 0 HA SER A 102 -5.255 -15.602 -32.216 1.00 11.34 H new ATOM 0 HB2 SER A 102 -5.749 -14.422 -29.444 1.00 14.42 H new ATOM 0 HB3 SER A 102 -5.841 -16.120 -29.871 1.00 14.42 H new ATOM 0 HG SER A 102 -3.788 -15.557 -28.947 1.00 50.11 H new ATOM 1656 N ALA A 103 -7.497 -13.853 -32.885 1.00 61.51 N ATOM 1657 CA ALA A 103 -8.879 -13.691 -33.373 1.00 63.33 C ATOM 1658 C ALA A 103 -8.862 -13.146 -34.807 1.00 34.21 C ATOM 1659 O ALA A 103 -8.024 -12.295 -35.146 1.00 73.30 O ATOM 1660 CB ALA A 103 -9.696 -12.771 -32.448 1.00 44.43 C ATOM 0 H ALA A 103 -6.822 -13.269 -33.379 1.00 61.51 H new ATOM 0 HA ALA A 103 -9.363 -14.668 -33.370 1.00 63.33 H new ATOM 0 HB1 ALA A 103 -10.710 -12.672 -32.836 1.00 44.43 H new ATOM 0 HB2 ALA A 103 -9.731 -13.200 -31.447 1.00 44.43 H new ATOM 0 HB3 ALA A 103 -9.227 -11.788 -32.406 1.00 44.43 H new ATOM 1666 N GLY A 104 -9.775 -13.671 -35.648 1.00 52.35 N ATOM 1667 CA GLY A 104 -9.939 -13.212 -37.028 1.00 20.35 C ATOM 1668 C GLY A 104 -10.553 -11.819 -37.110 1.00 51.53 C ATOM 1669 O GLY A 104 -10.158 -11.007 -37.955 1.00 71.52 O ATOM 0 H GLY A 104 -10.413 -14.422 -35.385 1.00 52.35 H new ATOM 0 HA2 GLY A 104 -8.968 -13.208 -37.524 1.00 20.35 H new ATOM 0 HA3 GLY A 104 -10.570 -13.916 -37.569 1.00 20.35 H new ATOM 1673 N LEU A 105 -11.535 -11.551 -36.230 1.00 0.35 N ATOM 1674 CA LEU A 105 -12.103 -10.198 -36.049 1.00 4.12 C ATOM 1675 C LEU A 105 -11.194 -9.371 -35.118 1.00 45.02 C ATOM 1676 O LEU A 105 -10.171 -9.874 -34.636 1.00 60.44 O ATOM 1677 CB LEU A 105 -13.591 -10.265 -35.546 1.00 24.21 C ATOM 1678 CG LEU A 105 -13.945 -11.206 -34.330 1.00 3.04 C ATOM 1679 CD1 LEU A 105 -13.326 -10.746 -32.989 1.00 74.11 C ATOM 1680 CD2 LEU A 105 -15.477 -11.374 -34.198 1.00 4.23 C ATOM 0 H LEU A 105 -11.956 -12.258 -35.628 1.00 0.35 H new ATOM 0 HA LEU A 105 -12.136 -9.691 -37.013 1.00 4.12 H new ATOM 0 HB2 LEU A 105 -13.894 -9.253 -35.278 1.00 24.21 H new ATOM 0 HB3 LEU A 105 -14.210 -10.570 -36.390 1.00 24.21 H new ATOM 0 HG LEU A 105 -13.494 -12.173 -34.554 1.00 3.04 H new ATOM 0 HD11 LEU A 105 -13.612 -11.440 -32.199 1.00 74.11 H new ATOM 0 HD12 LEU A 105 -12.240 -10.725 -33.078 1.00 74.11 H new ATOM 0 HD13 LEU A 105 -13.689 -9.748 -32.744 1.00 74.11 H new ATOM 0 HD21 LEU A 105 -15.700 -12.026 -33.354 1.00 4.23 H new ATOM 0 HD22 LEU A 105 -15.937 -10.399 -34.035 1.00 4.23 H new ATOM 0 HD23 LEU A 105 -15.875 -11.815 -35.112 1.00 4.23 H new ATOM 1692 N VAL A 106 -11.567 -8.105 -34.889 1.00 62.32 N ATOM 1693 CA VAL A 106 -10.857 -7.204 -33.966 1.00 22.44 C ATOM 1694 C VAL A 106 -11.467 -7.361 -32.550 1.00 64.12 C ATOM 1695 O VAL A 106 -12.575 -6.865 -32.297 1.00 72.42 O ATOM 1696 CB VAL A 106 -10.941 -5.701 -34.438 1.00 64.22 C ATOM 1697 CG1 VAL A 106 -10.125 -4.770 -33.502 1.00 33.54 C ATOM 1698 CG2 VAL A 106 -10.488 -5.565 -35.915 1.00 42.14 C ATOM 0 H VAL A 106 -12.373 -7.673 -35.340 1.00 62.32 H new ATOM 0 HA VAL A 106 -9.802 -7.476 -33.952 1.00 22.44 H new ATOM 0 HB VAL A 106 -11.982 -5.384 -34.378 1.00 64.22 H new ATOM 0 HG11 VAL A 106 -10.203 -3.741 -33.854 1.00 33.54 H new ATOM 0 HG12 VAL A 106 -10.519 -4.837 -32.488 1.00 33.54 H new ATOM 0 HG13 VAL A 106 -9.079 -5.076 -33.506 1.00 33.54 H new ATOM 0 HG21 VAL A 106 -10.553 -4.521 -36.221 1.00 42.14 H new ATOM 0 HG22 VAL A 106 -9.458 -5.908 -36.013 1.00 42.14 H new ATOM 0 HG23 VAL A 106 -11.134 -6.171 -36.551 1.00 42.14 H new ATOM 1708 N PRO A 107 -10.768 -8.068 -31.610 1.00 60.32 N ATOM 1709 CA PRO A 107 -11.272 -8.331 -30.247 1.00 32.25 C ATOM 1710 C PRO A 107 -10.793 -7.279 -29.226 1.00 24.44 C ATOM 1711 O PRO A 107 -10.840 -7.514 -28.012 1.00 70.14 O ATOM 1712 CB PRO A 107 -10.652 -9.714 -29.973 1.00 4.32 C ATOM 1713 CG PRO A 107 -9.286 -9.626 -30.602 1.00 65.51 C ATOM 1714 CD PRO A 107 -9.421 -8.677 -31.785 1.00 42.53 C ATOM 0 HA PRO A 107 -12.358 -8.292 -30.161 1.00 32.25 H new ATOM 0 HB2 PRO A 107 -10.588 -9.919 -28.904 1.00 4.32 H new ATOM 0 HB3 PRO A 107 -11.246 -10.514 -30.416 1.00 4.32 H new ATOM 0 HG2 PRO A 107 -8.552 -9.254 -29.887 1.00 65.51 H new ATOM 0 HG3 PRO A 107 -8.944 -10.608 -30.928 1.00 65.51 H new ATOM 0 HD2 PRO A 107 -8.637 -7.919 -31.780 1.00 42.53 H new ATOM 0 HD3 PRO A 107 -9.344 -9.209 -32.733 1.00 42.53 H new ATOM 1722 N ARG A 108 -10.347 -6.113 -29.741 1.00 64.03 N ATOM 1723 CA ARG A 108 -9.848 -5.001 -28.926 1.00 33.40 C ATOM 1724 C ARG A 108 -11.046 -4.262 -28.276 1.00 53.44 C ATOM 1725 O ARG A 108 -11.492 -3.206 -28.737 1.00 23.43 O ATOM 1726 CB ARG A 108 -8.978 -4.062 -29.816 1.00 30.45 C ATOM 1727 CG ARG A 108 -8.361 -2.846 -29.083 1.00 32.30 C ATOM 1728 CD ARG A 108 -7.498 -1.975 -30.012 1.00 71.32 C ATOM 1729 NE ARG A 108 -6.284 -2.685 -30.471 1.00 53.04 N ATOM 1730 CZ ARG A 108 -5.704 -2.551 -31.680 1.00 41.05 C ATOM 1731 NH1 ARG A 108 -6.212 -1.735 -32.601 1.00 74.24 N ATOM 1732 NH2 ARG A 108 -4.611 -3.244 -31.958 1.00 71.23 N ATOM 0 H ARG A 108 -10.326 -5.923 -30.743 1.00 64.03 H new ATOM 0 HA ARG A 108 -9.214 -5.367 -28.118 1.00 33.40 H new ATOM 0 HB2 ARG A 108 -8.171 -4.649 -30.255 1.00 30.45 H new ATOM 0 HB3 ARG A 108 -9.592 -3.697 -30.639 1.00 30.45 H new ATOM 0 HG2 ARG A 108 -9.160 -2.238 -28.658 1.00 32.30 H new ATOM 0 HG3 ARG A 108 -7.752 -3.198 -28.251 1.00 32.30 H new ATOM 0 HD2 ARG A 108 -8.089 -1.672 -30.876 1.00 71.32 H new ATOM 0 HD3 ARG A 108 -7.208 -1.064 -29.488 1.00 71.32 H new ATOM 0 HE ARG A 108 -5.848 -3.333 -29.815 1.00 53.04 H new ATOM 0 HH11 ARG A 108 -7.055 -1.198 -32.397 1.00 74.24 H new ATOM 0 HH12 ARG A 108 -5.759 -1.647 -33.510 1.00 74.24 H new ATOM 0 HH21 ARG A 108 -4.215 -3.873 -31.260 1.00 71.23 H new ATOM 0 HH22 ARG A 108 -4.165 -3.149 -32.870 1.00 71.23 H new ATOM 1746 N GLY A 109 -11.602 -4.892 -27.234 1.00 61.24 N ATOM 1747 CA GLY A 109 -12.731 -4.352 -26.479 1.00 11.42 C ATOM 1748 C GLY A 109 -12.280 -3.889 -25.115 1.00 12.00 C ATOM 1749 O GLY A 109 -12.769 -4.380 -24.085 1.00 51.44 O ATOM 0 H GLY A 109 -11.277 -5.796 -26.892 1.00 61.24 H new ATOM 0 HA2 GLY A 109 -13.176 -3.519 -27.024 1.00 11.42 H new ATOM 0 HA3 GLY A 109 -13.504 -5.113 -26.374 1.00 11.42 H new ATOM 1753 N SER A 110 -11.311 -2.951 -25.118 1.00 4.43 N ATOM 1754 CA SER A 110 -10.742 -2.371 -23.899 1.00 70.53 C ATOM 1755 C SER A 110 -11.821 -1.543 -23.164 1.00 74.22 C ATOM 1756 O SER A 110 -12.157 -0.423 -23.573 1.00 43.55 O ATOM 1757 CB SER A 110 -9.493 -1.524 -24.256 1.00 32.41 C ATOM 1758 OG SER A 110 -9.761 -0.622 -25.322 1.00 22.41 O ATOM 0 H SER A 110 -10.903 -2.577 -25.975 1.00 4.43 H new ATOM 0 HA SER A 110 -10.418 -3.162 -23.222 1.00 70.53 H new ATOM 0 HB2 SER A 110 -9.168 -0.965 -23.378 1.00 32.41 H new ATOM 0 HB3 SER A 110 -8.672 -2.185 -24.535 1.00 32.41 H new ATOM 0 HG SER A 110 -10.636 -0.203 -25.184 1.00 22.41 H new ATOM 1764 N GLY A 111 -12.397 -2.157 -22.122 1.00 61.01 N ATOM 1765 CA GLY A 111 -13.474 -1.555 -21.335 1.00 52.15 C ATOM 1766 C GLY A 111 -14.593 -2.556 -21.077 1.00 24.02 C ATOM 1767 O GLY A 111 -15.140 -2.615 -19.967 1.00 11.25 O ATOM 0 H GLY A 111 -12.126 -3.087 -21.803 1.00 61.01 H new ATOM 0 HA2 GLY A 111 -13.077 -1.196 -20.385 1.00 52.15 H new ATOM 0 HA3 GLY A 111 -13.872 -0.688 -21.862 1.00 52.15 H new ATOM 1771 N GLY A 112 -14.913 -3.361 -22.107 1.00 22.11 N ATOM 1772 CA GLY A 112 -15.995 -4.339 -22.029 1.00 24.42 C ATOM 1773 C GLY A 112 -15.987 -5.303 -23.212 1.00 73.14 C ATOM 1774 O GLY A 112 -16.040 -4.875 -24.369 1.00 2.21 O ATOM 0 H GLY A 112 -14.430 -3.347 -23.005 1.00 22.11 H new ATOM 0 HA2 GLY A 112 -15.905 -4.904 -21.101 1.00 24.42 H new ATOM 0 HA3 GLY A 112 -16.952 -3.818 -21.994 1.00 24.42 H new ATOM 1778 N ILE A 113 -15.894 -6.606 -22.909 1.00 75.51 N ATOM 1779 CA ILE A 113 -15.924 -7.699 -23.895 1.00 24.51 C ATOM 1780 C ILE A 113 -17.371 -8.304 -23.883 1.00 51.14 C ATOM 1781 O ILE A 113 -18.257 -7.769 -23.200 1.00 41.53 O ATOM 1782 CB ILE A 113 -14.803 -8.804 -23.585 1.00 1.04 C ATOM 1783 CG1 ILE A 113 -13.433 -8.166 -23.122 1.00 72.13 C ATOM 1784 CG2 ILE A 113 -14.549 -9.714 -24.816 1.00 73.31 C ATOM 1785 CD1 ILE A 113 -13.348 -7.777 -21.648 1.00 33.34 C ATOM 0 H ILE A 113 -15.793 -6.938 -21.950 1.00 75.51 H new ATOM 0 HA ILE A 113 -15.691 -7.319 -24.890 1.00 24.51 H new ATOM 0 HB ILE A 113 -15.196 -9.403 -22.764 1.00 1.04 H new ATOM 0 HG12 ILE A 113 -12.632 -8.873 -23.339 1.00 72.13 H new ATOM 0 HG13 ILE A 113 -13.245 -7.277 -23.725 1.00 72.13 H new ATOM 0 HG21 ILE A 113 -13.784 -10.451 -24.572 1.00 73.31 H new ATOM 0 HG22 ILE A 113 -15.473 -10.225 -25.087 1.00 73.31 H new ATOM 0 HG23 ILE A 113 -14.212 -9.105 -25.655 1.00 73.31 H new ATOM 0 HD11 ILE A 113 -12.367 -7.350 -21.440 1.00 33.34 H new ATOM 0 HD12 ILE A 113 -14.119 -7.041 -21.421 1.00 33.34 H new ATOM 0 HD13 ILE A 113 -13.497 -8.662 -21.029 1.00 33.34 H new ATOM 1797 N GLU A 114 -17.630 -9.374 -24.649 1.00 44.54 N ATOM 1798 CA GLU A 114 -18.916 -10.100 -24.643 1.00 52.15 C ATOM 1799 C GLU A 114 -18.666 -11.573 -24.264 1.00 25.51 C ATOM 1800 O GLU A 114 -17.694 -12.182 -24.726 1.00 24.12 O ATOM 1801 CB GLU A 114 -19.645 -9.973 -26.024 1.00 52.23 C ATOM 1802 CG GLU A 114 -18.813 -10.351 -27.283 1.00 15.41 C ATOM 1803 CD GLU A 114 -17.726 -9.309 -27.629 1.00 15.34 C ATOM 1804 OE1 GLU A 114 -18.074 -8.193 -28.058 1.00 63.40 O ATOM 1805 OE2 GLU A 114 -16.522 -9.588 -27.448 1.00 13.43 O ATOM 0 H GLU A 114 -16.948 -9.766 -25.298 1.00 44.54 H new ATOM 0 HA GLU A 114 -19.576 -9.655 -23.899 1.00 52.15 H new ATOM 0 HB2 GLU A 114 -20.534 -10.603 -26.000 1.00 52.23 H new ATOM 0 HB3 GLU A 114 -19.987 -8.944 -26.137 1.00 52.23 H new ATOM 0 HG2 GLU A 114 -18.340 -11.320 -27.121 1.00 15.41 H new ATOM 0 HG3 GLU A 114 -19.484 -10.463 -28.134 1.00 15.41 H new ATOM 1812 N GLY A 115 -19.522 -12.120 -23.383 1.00 54.33 N ATOM 1813 CA GLY A 115 -19.414 -13.506 -22.911 1.00 63.13 C ATOM 1814 C GLY A 115 -18.844 -13.590 -21.499 1.00 32.42 C ATOM 1815 O GLY A 115 -18.679 -12.565 -20.830 1.00 62.24 O ATOM 0 H GLY A 115 -20.308 -11.610 -22.980 1.00 54.33 H new ATOM 0 HA2 GLY A 115 -20.399 -13.973 -22.932 1.00 63.13 H new ATOM 0 HA3 GLY A 115 -18.778 -14.072 -23.592 1.00 63.13 H new ATOM 1819 N SER A 428 -18.539 -14.818 -21.052 1.00 23.23 N ATOM 1820 CA SER A 428 -17.953 -15.083 -19.721 1.00 24.41 C ATOM 1821 C SER A 428 -16.502 -14.560 -19.627 1.00 34.31 C ATOM 1822 O SER A 428 -15.993 -14.298 -18.524 1.00 11.51 O ATOM 1823 CB SER A 428 -18.007 -16.597 -19.411 1.00 53.10 C ATOM 1824 OG SER A 428 -17.632 -16.864 -18.069 1.00 15.42 O ATOM 0 H SER A 428 -18.691 -15.662 -21.604 1.00 23.23 H new ATOM 0 HA SER A 428 -18.543 -14.547 -18.978 1.00 24.41 H new ATOM 0 HB2 SER A 428 -19.015 -16.971 -19.590 1.00 53.10 H new ATOM 0 HB3 SER A 428 -17.343 -17.133 -20.089 1.00 53.10 H new ATOM 0 HG SER A 428 -18.137 -16.280 -17.466 1.00 15.42 H new ATOM 1830 N ILE A 429 -15.851 -14.411 -20.805 1.00 44.14 N ATOM 1831 CA ILE A 429 -14.503 -13.814 -20.928 1.00 23.33 C ATOM 1832 C ILE A 429 -14.525 -12.357 -20.403 1.00 1.54 C ATOM 1833 O ILE A 429 -13.564 -11.904 -19.789 1.00 1.44 O ATOM 1834 CB ILE A 429 -13.971 -13.922 -22.425 1.00 13.43 C ATOM 1835 CG1 ILE A 429 -12.462 -13.470 -22.593 1.00 51.31 C ATOM 1836 CG2 ILE A 429 -14.899 -13.172 -23.403 1.00 32.34 C ATOM 1837 CD1 ILE A 429 -12.211 -11.984 -22.844 1.00 10.22 C ATOM 0 H ILE A 429 -16.248 -14.703 -21.698 1.00 44.14 H new ATOM 0 HA ILE A 429 -13.799 -14.373 -20.311 1.00 23.33 H new ATOM 0 HB ILE A 429 -13.992 -14.982 -22.678 1.00 13.43 H new ATOM 0 HG12 ILE A 429 -11.919 -13.759 -21.693 1.00 51.31 H new ATOM 0 HG13 ILE A 429 -12.029 -14.032 -23.421 1.00 51.31 H new ATOM 0 HG21 ILE A 429 -14.510 -13.264 -24.417 1.00 32.34 H new ATOM 0 HG22 ILE A 429 -15.899 -13.603 -23.358 1.00 32.34 H new ATOM 0 HG23 ILE A 429 -14.945 -12.119 -23.126 1.00 32.34 H new ATOM 0 HD11 ILE A 429 -11.140 -11.807 -22.940 1.00 10.22 H new ATOM 0 HD12 ILE A 429 -12.713 -11.680 -23.763 1.00 10.22 H new ATOM 0 HD13 ILE A 429 -12.601 -11.403 -22.008 1.00 10.22 H new ATOM 1849 N ASP A 430 -15.664 -11.654 -20.607 1.00 63.33 N ATOM 1850 CA ASP A 430 -15.873 -10.287 -20.089 1.00 43.13 C ATOM 1851 C ASP A 430 -15.821 -10.258 -18.554 1.00 50.45 C ATOM 1852 O ASP A 430 -15.192 -9.377 -17.976 1.00 32.21 O ATOM 1853 CB ASP A 430 -17.231 -9.731 -20.580 1.00 34.24 C ATOM 1854 CG ASP A 430 -17.575 -8.345 -19.993 1.00 31.31 C ATOM 1855 OD1 ASP A 430 -16.824 -7.387 -20.244 1.00 51.00 O ATOM 1856 OD2 ASP A 430 -18.597 -8.207 -19.289 1.00 54.53 O ATOM 0 H ASP A 430 -16.458 -12.019 -21.133 1.00 63.33 H new ATOM 0 HA ASP A 430 -15.067 -9.659 -20.469 1.00 43.13 H new ATOM 0 HB2 ASP A 430 -17.215 -9.663 -21.668 1.00 34.24 H new ATOM 0 HB3 ASP A 430 -18.020 -10.435 -20.316 1.00 34.24 H new ATOM 1861 N GLU A 431 -16.470 -11.257 -17.928 1.00 43.45 N ATOM 1862 CA GLU A 431 -16.610 -11.347 -16.463 1.00 31.12 C ATOM 1863 C GLU A 431 -15.246 -11.560 -15.796 1.00 13.42 C ATOM 1864 O GLU A 431 -14.864 -10.805 -14.896 1.00 5.40 O ATOM 1865 CB GLU A 431 -17.565 -12.507 -16.083 1.00 21.44 C ATOM 1866 CG GLU A 431 -18.932 -12.482 -16.787 1.00 22.03 C ATOM 1867 CD GLU A 431 -19.828 -13.660 -16.378 1.00 11.42 C ATOM 1868 OE1 GLU A 431 -19.384 -14.819 -16.523 1.00 45.41 O ATOM 1869 OE2 GLU A 431 -20.968 -13.438 -15.914 1.00 22.21 O ATOM 0 H GLU A 431 -16.914 -12.028 -18.427 1.00 43.45 H new ATOM 0 HA GLU A 431 -17.029 -10.406 -16.106 1.00 31.12 H new ATOM 0 HB2 GLU A 431 -17.073 -13.452 -16.312 1.00 21.44 H new ATOM 0 HB3 GLU A 431 -17.728 -12.485 -15.005 1.00 21.44 H new ATOM 0 HG2 GLU A 431 -19.440 -11.546 -16.554 1.00 22.03 H new ATOM 0 HG3 GLU A 431 -18.781 -12.503 -17.866 1.00 22.03 H new ATOM 1876 N THR A 432 -14.514 -12.585 -16.277 1.00 71.21 N ATOM 1877 CA THR A 432 -13.223 -12.984 -15.700 1.00 61.41 C ATOM 1878 C THR A 432 -12.162 -11.872 -15.879 1.00 34.00 C ATOM 1879 O THR A 432 -11.395 -11.594 -14.952 1.00 33.31 O ATOM 1880 CB THR A 432 -12.722 -14.354 -16.283 1.00 42.23 C ATOM 1881 OG1 THR A 432 -11.529 -14.772 -15.608 1.00 35.12 O ATOM 1882 CG2 THR A 432 -12.454 -14.315 -17.797 1.00 1.12 C ATOM 0 H THR A 432 -14.803 -13.154 -17.072 1.00 71.21 H new ATOM 0 HA THR A 432 -13.376 -13.128 -14.630 1.00 61.41 H new ATOM 0 HB THR A 432 -13.530 -15.066 -16.116 1.00 42.23 H new ATOM 0 HG1 THR A 432 -10.785 -14.191 -15.869 1.00 35.12 H new ATOM 0 HG21 THR A 432 -12.111 -15.294 -18.131 1.00 1.12 H new ATOM 0 HG22 THR A 432 -13.372 -14.053 -18.322 1.00 1.12 H new ATOM 0 HG23 THR A 432 -11.688 -13.570 -18.012 1.00 1.12 H new ATOM 1890 N VAL A 433 -12.167 -11.208 -17.060 1.00 52.53 N ATOM 1891 CA VAL A 433 -11.274 -10.062 -17.348 1.00 21.15 C ATOM 1892 C VAL A 433 -11.651 -8.846 -16.490 1.00 15.00 C ATOM 1893 O VAL A 433 -10.771 -8.136 -16.023 1.00 13.12 O ATOM 1894 CB VAL A 433 -11.293 -9.671 -18.873 1.00 42.22 C ATOM 1895 CG1 VAL A 433 -10.574 -8.321 -19.150 1.00 23.31 C ATOM 1896 CG2 VAL A 433 -10.671 -10.799 -19.718 1.00 31.21 C ATOM 0 H VAL A 433 -12.786 -11.450 -17.834 1.00 52.53 H new ATOM 0 HA VAL A 433 -10.261 -10.376 -17.095 1.00 21.15 H new ATOM 0 HB VAL A 433 -12.336 -9.538 -19.160 1.00 42.22 H new ATOM 0 HG11 VAL A 433 -10.616 -8.098 -20.216 1.00 23.31 H new ATOM 0 HG12 VAL A 433 -11.068 -7.525 -18.593 1.00 23.31 H new ATOM 0 HG13 VAL A 433 -9.533 -8.392 -18.835 1.00 23.31 H new ATOM 0 HG21 VAL A 433 -10.690 -10.517 -20.771 1.00 31.21 H new ATOM 0 HG22 VAL A 433 -9.640 -10.962 -19.404 1.00 31.21 H new ATOM 0 HG23 VAL A 433 -11.243 -11.716 -19.578 1.00 31.21 H new ATOM 1906 N ALA A 434 -12.962 -8.627 -16.290 1.00 60.54 N ATOM 1907 CA ALA A 434 -13.472 -7.515 -15.463 1.00 25.14 C ATOM 1908 C ALA A 434 -12.947 -7.632 -14.019 1.00 52.02 C ATOM 1909 O ALA A 434 -12.583 -6.627 -13.403 1.00 12.33 O ATOM 1910 CB ALA A 434 -15.012 -7.487 -15.480 1.00 75.11 C ATOM 0 H ALA A 434 -13.695 -9.210 -16.693 1.00 60.54 H new ATOM 0 HA ALA A 434 -13.110 -6.578 -15.886 1.00 25.14 H new ATOM 0 HB1 ALA A 434 -15.368 -6.661 -14.865 1.00 75.11 H new ATOM 0 HB2 ALA A 434 -15.362 -7.354 -16.504 1.00 75.11 H new ATOM 0 HB3 ALA A 434 -15.397 -8.426 -15.084 1.00 75.11 H new ATOM 1916 N ARG A 435 -12.888 -8.881 -13.514 1.00 23.21 N ATOM 1917 CA ARG A 435 -12.401 -9.182 -12.161 1.00 70.12 C ATOM 1918 C ARG A 435 -10.876 -9.031 -12.073 1.00 25.33 C ATOM 1919 O ARG A 435 -10.379 -8.393 -11.145 1.00 62.11 O ATOM 1920 CB ARG A 435 -12.840 -10.608 -11.735 1.00 5.33 C ATOM 1921 CG ARG A 435 -14.372 -10.788 -11.630 1.00 73.33 C ATOM 1922 CD ARG A 435 -15.007 -9.832 -10.604 1.00 54.34 C ATOM 1923 NE ARG A 435 -16.474 -9.905 -10.606 1.00 42.50 N ATOM 1924 CZ ARG A 435 -17.296 -8.919 -10.213 1.00 5.05 C ATOM 1925 NH1 ARG A 435 -16.816 -7.751 -9.767 1.00 0.32 N ATOM 1926 NH2 ARG A 435 -18.604 -9.108 -10.265 1.00 10.32 N ATOM 0 H ARG A 435 -13.178 -9.707 -14.037 1.00 23.21 H new ATOM 0 HA ARG A 435 -12.844 -8.462 -11.473 1.00 70.12 H new ATOM 0 HB2 ARG A 435 -12.448 -11.328 -12.454 1.00 5.33 H new ATOM 0 HB3 ARG A 435 -12.390 -10.843 -10.771 1.00 5.33 H new ATOM 0 HG2 ARG A 435 -14.823 -10.618 -12.608 1.00 73.33 H new ATOM 0 HG3 ARG A 435 -14.596 -11.817 -11.350 1.00 73.33 H new ATOM 0 HD2 ARG A 435 -14.635 -10.073 -9.608 1.00 54.34 H new ATOM 0 HD3 ARG A 435 -14.696 -8.810 -10.822 1.00 54.34 H new ATOM 0 HE ARG A 435 -16.901 -10.772 -10.931 1.00 42.50 H new ATOM 0 HH11 ARG A 435 -15.809 -7.598 -9.721 1.00 0.32 H new ATOM 0 HH12 ARG A 435 -17.458 -7.015 -9.473 1.00 0.32 H new ATOM 0 HH21 ARG A 435 -18.978 -9.995 -10.601 1.00 10.32 H new ATOM 0 HH22 ARG A 435 -19.239 -8.366 -9.969 1.00 10.32 H new ATOM 1940 N TYR A 436 -10.144 -9.607 -13.052 1.00 73.02 N ATOM 1941 CA TYR A 436 -8.666 -9.540 -13.086 1.00 73.22 C ATOM 1942 C TYR A 436 -8.182 -8.095 -13.205 1.00 2.44 C ATOM 1943 O TYR A 436 -7.271 -7.697 -12.501 1.00 15.00 O ATOM 1944 CB TYR A 436 -8.071 -10.365 -14.253 1.00 14.15 C ATOM 1945 CG TYR A 436 -8.271 -11.875 -14.163 1.00 44.44 C ATOM 1946 CD1 TYR A 436 -8.326 -12.533 -12.928 1.00 53.24 C ATOM 1947 CD2 TYR A 436 -8.381 -12.647 -15.318 1.00 34.34 C ATOM 1948 CE1 TYR A 436 -8.486 -13.898 -12.859 1.00 15.31 C ATOM 1949 CE2 TYR A 436 -8.545 -14.009 -15.249 1.00 25.44 C ATOM 1950 CZ TYR A 436 -8.597 -14.629 -14.021 1.00 75.35 C ATOM 1951 OH TYR A 436 -8.753 -15.993 -13.955 1.00 41.31 O ATOM 0 H TYR A 436 -10.553 -10.124 -13.830 1.00 73.02 H new ATOM 0 HA TYR A 436 -8.320 -9.967 -12.145 1.00 73.22 H new ATOM 0 HB2 TYR A 436 -8.513 -10.013 -15.185 1.00 14.15 H new ATOM 0 HB3 TYR A 436 -7.002 -10.161 -14.310 1.00 14.15 H new ATOM 0 HD1 TYR A 436 -8.242 -11.961 -12.016 1.00 53.24 H new ATOM 0 HD2 TYR A 436 -8.337 -12.166 -16.284 1.00 34.34 H new ATOM 0 HE1 TYR A 436 -8.524 -14.393 -11.900 1.00 15.31 H new ATOM 0 HE2 TYR A 436 -8.633 -14.591 -16.154 1.00 25.44 H new ATOM 0 HH TYR A 436 -8.817 -16.359 -14.862 1.00 41.31 H new ATOM 1961 N LYS A 437 -8.831 -7.332 -14.096 1.00 71.30 N ATOM 1962 CA LYS A 437 -8.495 -5.929 -14.367 1.00 61.13 C ATOM 1963 C LYS A 437 -8.764 -5.066 -13.128 1.00 64.33 C ATOM 1964 O LYS A 437 -7.951 -4.211 -12.779 1.00 42.51 O ATOM 1965 CB LYS A 437 -9.304 -5.395 -15.579 1.00 41.23 C ATOM 1966 CG LYS A 437 -8.947 -3.952 -16.006 1.00 44.13 C ATOM 1967 CD LYS A 437 -9.848 -3.425 -17.145 1.00 50.44 C ATOM 1968 CE LYS A 437 -9.420 -2.035 -17.642 1.00 41.40 C ATOM 1969 NZ LYS A 437 -9.390 -1.024 -16.551 1.00 24.30 N ATOM 0 H LYS A 437 -9.612 -7.676 -14.654 1.00 71.30 H new ATOM 0 HA LYS A 437 -7.434 -5.873 -14.610 1.00 61.13 H new ATOM 0 HB2 LYS A 437 -9.145 -6.061 -16.427 1.00 41.23 H new ATOM 0 HB3 LYS A 437 -10.366 -5.436 -15.337 1.00 41.23 H new ATOM 0 HG2 LYS A 437 -9.035 -3.291 -15.144 1.00 44.13 H new ATOM 0 HG3 LYS A 437 -7.906 -3.920 -16.328 1.00 44.13 H new ATOM 0 HD2 LYS A 437 -9.823 -4.128 -17.978 1.00 50.44 H new ATOM 0 HD3 LYS A 437 -10.880 -3.380 -16.796 1.00 50.44 H new ATOM 0 HE2 LYS A 437 -8.432 -2.104 -18.097 1.00 41.40 H new ATOM 0 HE3 LYS A 437 -10.107 -1.704 -18.421 1.00 41.40 H new ATOM 0 HZ1 LYS A 437 -9.162 -0.091 -16.949 1.00 24.30 H new ATOM 0 HZ2 LYS A 437 -10.321 -0.985 -16.088 1.00 24.30 H new ATOM 0 HZ3 LYS A 437 -8.667 -1.289 -15.852 1.00 24.30 H new ATOM 1983 N ALA A 438 -9.914 -5.320 -12.469 1.00 53.33 N ATOM 1984 CA ALA A 438 -10.299 -4.617 -11.235 1.00 52.25 C ATOM 1985 C ALA A 438 -9.250 -4.843 -10.129 1.00 60.01 C ATOM 1986 O ALA A 438 -8.620 -3.889 -9.673 1.00 51.13 O ATOM 1987 CB ALA A 438 -11.692 -5.067 -10.766 1.00 42.32 C ATOM 0 H ALA A 438 -10.595 -6.014 -12.778 1.00 53.33 H new ATOM 0 HA ALA A 438 -10.341 -3.549 -11.449 1.00 52.25 H new ATOM 0 HB1 ALA A 438 -11.958 -4.535 -9.852 1.00 42.32 H new ATOM 0 HB2 ALA A 438 -12.426 -4.846 -11.541 1.00 42.32 H new ATOM 0 HB3 ALA A 438 -11.682 -6.139 -10.572 1.00 42.32 H new ATOM 1993 N GLN A 439 -9.021 -6.128 -9.774 1.00 24.32 N ATOM 1994 CA GLN A 439 -8.111 -6.514 -8.677 1.00 43.53 C ATOM 1995 C GLN A 439 -6.664 -6.089 -8.978 1.00 5.22 C ATOM 1996 O GLN A 439 -5.957 -5.626 -8.078 1.00 0.45 O ATOM 1997 CB GLN A 439 -8.171 -8.043 -8.409 1.00 74.23 C ATOM 1998 CG GLN A 439 -9.572 -8.608 -8.080 1.00 4.32 C ATOM 1999 CD GLN A 439 -10.300 -7.854 -6.968 1.00 11.52 C ATOM 2000 OE1 GLN A 439 -10.144 -8.158 -5.786 1.00 74.22 O ATOM 2001 NE2 GLN A 439 -11.126 -6.882 -7.343 1.00 43.12 N ATOM 0 H GLN A 439 -9.461 -6.922 -10.239 1.00 24.32 H new ATOM 0 HA GLN A 439 -8.446 -5.992 -7.781 1.00 43.53 H new ATOM 0 HB2 GLN A 439 -7.786 -8.563 -9.286 1.00 74.23 H new ATOM 0 HB3 GLN A 439 -7.501 -8.275 -7.581 1.00 74.23 H new ATOM 0 HG2 GLN A 439 -10.183 -8.584 -8.982 1.00 4.32 H new ATOM 0 HG3 GLN A 439 -9.472 -9.654 -7.791 1.00 4.32 H new ATOM 0 HE21 GLN A 439 -11.232 -6.656 -8.332 1.00 43.12 H new ATOM 0 HE22 GLN A 439 -11.654 -6.363 -6.642 1.00 43.12 H new ATOM 2010 N PHE A 440 -6.252 -6.225 -10.260 1.00 5.41 N ATOM 2011 CA PHE A 440 -4.901 -5.860 -10.695 1.00 11.14 C ATOM 2012 C PHE A 440 -4.677 -4.363 -10.464 1.00 25.21 C ATOM 2013 O PHE A 440 -3.869 -4.005 -9.625 1.00 22.02 O ATOM 2014 CB PHE A 440 -4.638 -6.227 -12.184 1.00 14.13 C ATOM 2015 CG PHE A 440 -3.219 -5.914 -12.669 1.00 31.42 C ATOM 2016 CD1 PHE A 440 -2.172 -6.791 -12.413 1.00 41.22 C ATOM 2017 CD2 PHE A 440 -2.929 -4.742 -13.374 1.00 32.11 C ATOM 2018 CE1 PHE A 440 -0.886 -6.508 -12.840 1.00 60.52 C ATOM 2019 CE2 PHE A 440 -1.648 -4.464 -13.802 1.00 64.02 C ATOM 2020 CZ PHE A 440 -0.626 -5.348 -13.532 1.00 33.43 C ATOM 0 H PHE A 440 -6.845 -6.587 -11.007 1.00 5.41 H new ATOM 0 HA PHE A 440 -4.192 -6.436 -10.100 1.00 11.14 H new ATOM 0 HB2 PHE A 440 -4.831 -7.291 -12.323 1.00 14.13 H new ATOM 0 HB3 PHE A 440 -5.350 -5.689 -12.810 1.00 14.13 H new ATOM 0 HD1 PHE A 440 -2.364 -7.706 -11.873 1.00 41.22 H new ATOM 0 HD2 PHE A 440 -3.723 -4.042 -13.587 1.00 32.11 H new ATOM 0 HE1 PHE A 440 -0.084 -7.200 -12.629 1.00 60.52 H new ATOM 0 HE2 PHE A 440 -1.446 -3.554 -14.348 1.00 64.02 H new ATOM 0 HZ PHE A 440 0.379 -5.130 -13.864 1.00 33.43 H new ATOM 2030 N THR A 441 -5.482 -3.520 -11.154 1.00 11.05 N ATOM 2031 CA THR A 441 -5.340 -2.048 -11.141 1.00 32.32 C ATOM 2032 C THR A 441 -5.408 -1.471 -9.709 1.00 22.52 C ATOM 2033 O THR A 441 -4.668 -0.548 -9.381 1.00 52.31 O ATOM 2034 CB THR A 441 -6.430 -1.374 -12.040 1.00 22.32 C ATOM 2035 OG1 THR A 441 -6.353 -1.908 -13.372 1.00 60.33 O ATOM 2036 CG2 THR A 441 -6.282 0.162 -12.110 1.00 43.24 C ATOM 0 H THR A 441 -6.252 -3.846 -11.738 1.00 11.05 H new ATOM 0 HA THR A 441 -4.354 -1.822 -11.546 1.00 32.32 H new ATOM 0 HB THR A 441 -7.396 -1.594 -11.585 1.00 22.32 H new ATOM 0 HG1 THR A 441 -6.855 -2.749 -13.417 1.00 60.33 H new ATOM 0 HG21 THR A 441 -7.065 0.574 -12.747 1.00 43.24 H new ATOM 0 HG22 THR A 441 -6.371 0.582 -11.108 1.00 43.24 H new ATOM 0 HG23 THR A 441 -5.306 0.415 -12.524 1.00 43.24 H new ATOM 2044 N GLN A 442 -6.284 -2.053 -8.867 1.00 33.43 N ATOM 2045 CA GLN A 442 -6.490 -1.609 -7.474 1.00 4.34 C ATOM 2046 C GLN A 442 -5.233 -1.840 -6.607 1.00 32.21 C ATOM 2047 O GLN A 442 -4.729 -0.897 -5.991 1.00 62.10 O ATOM 2048 CB GLN A 442 -7.735 -2.313 -6.872 1.00 71.02 C ATOM 2049 CG GLN A 442 -9.080 -1.768 -7.407 1.00 3.15 C ATOM 2050 CD GLN A 442 -10.302 -2.594 -6.998 1.00 72.11 C ATOM 2051 OE1 GLN A 442 -10.157 -3.914 -6.956 1.00 40.13 O flip ATOM 2052 NE2 GLN A 442 -11.388 -2.056 -6.774 1.00 65.11 N flip ATOM 0 H GLN A 442 -6.869 -2.845 -9.133 1.00 33.43 H new ATOM 0 HA GLN A 442 -6.670 -0.534 -7.481 1.00 4.34 H new ATOM 0 HB2 GLN A 442 -7.676 -3.380 -7.085 1.00 71.02 H new ATOM 0 HB3 GLN A 442 -7.714 -2.203 -5.788 1.00 71.02 H new ATOM 0 HG2 GLN A 442 -9.212 -0.746 -7.052 1.00 3.15 H new ATOM 0 HG3 GLN A 442 -9.034 -1.724 -8.495 1.00 3.15 H new ATOM 0 HE21 GLN A 442 -11.472 -1.040 -6.813 1.00 65.11 H new ATOM 0 HE22 GLN A 442 -12.203 -2.627 -6.550 1.00 65.11 H new ATOM 2061 N LEU A 443 -4.722 -3.087 -6.582 1.00 3.13 N ATOM 2062 CA LEU A 443 -3.493 -3.431 -5.818 1.00 1.43 C ATOM 2063 C LEU A 443 -2.227 -2.827 -6.484 1.00 60.44 C ATOM 2064 O LEU A 443 -1.204 -2.635 -5.820 1.00 35.32 O ATOM 2065 CB LEU A 443 -3.323 -4.974 -5.676 1.00 71.43 C ATOM 2066 CG LEU A 443 -4.227 -5.745 -4.645 1.00 54.01 C ATOM 2067 CD1 LEU A 443 -5.730 -5.653 -4.963 1.00 21.25 C ATOM 2068 CD2 LEU A 443 -3.778 -7.222 -4.547 1.00 71.22 C ATOM 0 H LEU A 443 -5.136 -3.876 -7.079 1.00 3.13 H new ATOM 0 HA LEU A 443 -3.608 -2.999 -4.824 1.00 1.43 H new ATOM 0 HB2 LEU A 443 -3.492 -5.416 -6.658 1.00 71.43 H new ATOM 0 HB3 LEU A 443 -2.283 -5.169 -5.413 1.00 71.43 H new ATOM 0 HG LEU A 443 -4.092 -5.256 -3.680 1.00 54.01 H new ATOM 0 HD11 LEU A 443 -6.295 -6.206 -4.213 1.00 21.25 H new ATOM 0 HD12 LEU A 443 -6.041 -4.608 -4.954 1.00 21.25 H new ATOM 0 HD13 LEU A 443 -5.920 -6.079 -5.948 1.00 21.25 H new ATOM 0 HD21 LEU A 443 -4.410 -7.748 -3.831 1.00 71.22 H new ATOM 0 HD22 LEU A 443 -3.867 -7.695 -5.525 1.00 71.22 H new ATOM 0 HD23 LEU A 443 -2.740 -7.266 -4.216 1.00 71.22 H new ATOM 2080 N ASP A 444 -2.311 -2.558 -7.804 1.00 0.32 N ATOM 2081 CA ASP A 444 -1.181 -2.056 -8.624 1.00 63.35 C ATOM 2082 C ASP A 444 -0.981 -0.546 -8.435 1.00 5.53 C ATOM 2083 O ASP A 444 0.159 -0.064 -8.397 1.00 42.23 O ATOM 2084 CB ASP A 444 -1.411 -2.396 -10.124 1.00 2.14 C ATOM 2085 CG ASP A 444 -0.235 -2.009 -11.029 1.00 3.55 C ATOM 2086 OD1 ASP A 444 -0.401 -1.158 -11.929 1.00 52.31 O ATOM 2087 OD2 ASP A 444 0.870 -2.554 -10.832 1.00 34.51 O ATOM 0 H ASP A 444 -3.171 -2.683 -8.338 1.00 0.32 H new ATOM 0 HA ASP A 444 -0.272 -2.554 -8.287 1.00 63.35 H new ATOM 0 HB2 ASP A 444 -1.596 -3.466 -10.221 1.00 2.14 H new ATOM 0 HB3 ASP A 444 -2.309 -1.884 -10.470 1.00 2.14 H new ATOM 2092 N THR A 445 -2.098 0.199 -8.320 1.00 3.23 N ATOM 2093 CA THR A 445 -2.051 1.638 -8.021 1.00 43.53 C ATOM 2094 C THR A 445 -1.718 1.835 -6.530 1.00 54.14 C ATOM 2095 O THR A 445 -1.058 2.809 -6.163 1.00 14.41 O ATOM 2096 CB THR A 445 -3.368 2.399 -8.411 1.00 51.53 C ATOM 2097 OG1 THR A 445 -3.152 3.820 -8.326 1.00 2.55 O ATOM 2098 CG2 THR A 445 -4.572 2.031 -7.527 1.00 34.03 C ATOM 0 H THR A 445 -3.041 -0.174 -8.430 1.00 3.23 H new ATOM 0 HA THR A 445 -1.267 2.076 -8.639 1.00 43.53 H new ATOM 0 HB THR A 445 -3.606 2.095 -9.430 1.00 51.53 H new ATOM 0 HG1 THR A 445 -3.975 4.291 -8.572 1.00 2.55 H new ATOM 0 HG21 THR A 445 -5.447 2.593 -7.852 1.00 34.03 H new ATOM 0 HG22 THR A 445 -4.774 0.963 -7.613 1.00 34.03 H new ATOM 0 HG23 THR A 445 -4.349 2.275 -6.488 1.00 34.03 H new ATOM 2106 N MET A 446 -2.176 0.873 -5.683 1.00 42.44 N ATOM 2107 CA MET A 446 -1.772 0.793 -4.275 1.00 64.31 C ATOM 2108 C MET A 446 -0.255 0.606 -4.196 1.00 23.44 C ATOM 2109 O MET A 446 0.394 1.237 -3.378 1.00 54.30 O ATOM 2110 CB MET A 446 -2.474 -0.384 -3.538 1.00 5.21 C ATOM 2111 CG MET A 446 -2.163 -0.460 -2.032 1.00 1.05 C ATOM 2112 SD MET A 446 -2.916 -1.881 -1.214 1.00 71.40 S ATOM 2113 CE MET A 446 -2.393 -1.626 0.486 1.00 25.25 C ATOM 0 H MET A 446 -2.830 0.143 -5.966 1.00 42.44 H new ATOM 0 HA MET A 446 -2.070 1.720 -3.786 1.00 64.31 H new ATOM 0 HB2 MET A 446 -3.552 -0.290 -3.671 1.00 5.21 H new ATOM 0 HB3 MET A 446 -2.176 -1.322 -4.007 1.00 5.21 H new ATOM 0 HG2 MET A 446 -1.083 -0.501 -1.894 1.00 1.05 H new ATOM 0 HG3 MET A 446 -2.511 0.454 -1.550 1.00 1.05 H new ATOM 0 HE1 MET A 446 -1.801 -2.479 0.816 1.00 25.25 H new ATOM 0 HE2 MET A 446 -1.790 -0.720 0.549 1.00 25.25 H new ATOM 0 HE3 MET A 446 -3.270 -1.524 1.125 1.00 25.25 H new ATOM 2123 N MET A 447 0.275 -0.258 -5.092 1.00 21.43 N ATOM 2124 CA MET A 447 1.702 -0.610 -5.156 1.00 50.41 C ATOM 2125 C MET A 447 2.576 0.583 -5.532 1.00 65.44 C ATOM 2126 O MET A 447 3.581 0.837 -4.870 1.00 51.21 O ATOM 2127 CB MET A 447 1.942 -1.769 -6.147 1.00 2.21 C ATOM 2128 CG MET A 447 3.422 -2.170 -6.324 1.00 10.41 C ATOM 2129 SD MET A 447 3.595 -3.820 -7.004 1.00 42.13 S ATOM 2130 CE MET A 447 2.787 -4.760 -5.715 1.00 3.14 C ATOM 0 H MET A 447 -0.288 -0.733 -5.797 1.00 21.43 H new ATOM 0 HA MET A 447 1.989 -0.930 -4.154 1.00 50.41 H new ATOM 0 HB2 MET A 447 1.382 -2.640 -5.808 1.00 2.21 H new ATOM 0 HB3 MET A 447 1.537 -1.488 -7.119 1.00 2.21 H new ATOM 0 HG2 MET A 447 3.915 -1.454 -6.981 1.00 10.41 H new ATOM 0 HG3 MET A 447 3.929 -2.120 -5.360 1.00 10.41 H new ATOM 0 HE1 MET A 447 3.485 -5.489 -5.304 1.00 3.14 H new ATOM 0 HE2 MET A 447 2.459 -4.086 -4.924 1.00 3.14 H new ATOM 0 HE3 MET A 447 1.923 -5.279 -6.130 1.00 3.14 H new ATOM 2140 N SER A 448 2.189 1.297 -6.598 1.00 43.14 N ATOM 2141 CA SER A 448 2.944 2.459 -7.090 1.00 55.14 C ATOM 2142 C SER A 448 2.969 3.581 -6.036 1.00 40.43 C ATOM 2143 O SER A 448 3.995 4.258 -5.857 1.00 45.43 O ATOM 2144 CB SER A 448 2.344 2.949 -8.423 1.00 64.11 C ATOM 2145 OG SER A 448 0.943 3.120 -8.322 1.00 3.10 O ATOM 0 H SER A 448 1.351 1.088 -7.140 1.00 43.14 H new ATOM 0 HA SER A 448 3.977 2.160 -7.270 1.00 55.14 H new ATOM 0 HB2 SER A 448 2.808 3.893 -8.709 1.00 64.11 H new ATOM 0 HB3 SER A 448 2.569 2.231 -9.212 1.00 64.11 H new ATOM 0 HG SER A 448 0.657 2.939 -7.402 1.00 3.10 H new ATOM 2151 N LYS A 449 1.837 3.743 -5.318 1.00 22.41 N ATOM 2152 CA LYS A 449 1.743 4.697 -4.208 1.00 5.13 C ATOM 2153 C LYS A 449 2.588 4.234 -3.015 1.00 64.33 C ATOM 2154 O LYS A 449 3.346 5.026 -2.480 1.00 43.00 O ATOM 2155 CB LYS A 449 0.277 4.950 -3.776 1.00 75.33 C ATOM 2156 CG LYS A 449 -0.581 5.648 -4.856 1.00 24.11 C ATOM 2157 CD LYS A 449 -1.927 6.183 -4.314 1.00 14.45 C ATOM 2158 CE LYS A 449 -1.740 7.338 -3.314 1.00 54.13 C ATOM 2159 NZ LYS A 449 -3.034 7.930 -2.883 1.00 31.32 N ATOM 0 H LYS A 449 0.978 3.222 -5.493 1.00 22.41 H new ATOM 0 HA LYS A 449 2.141 5.645 -4.569 1.00 5.13 H new ATOM 0 HB2 LYS A 449 -0.185 3.997 -3.518 1.00 75.33 H new ATOM 0 HB3 LYS A 449 0.275 5.560 -2.873 1.00 75.33 H new ATOM 0 HG2 LYS A 449 -0.014 6.475 -5.282 1.00 24.11 H new ATOM 0 HG3 LYS A 449 -0.777 4.945 -5.666 1.00 24.11 H new ATOM 0 HD2 LYS A 449 -2.541 6.524 -5.147 1.00 14.45 H new ATOM 0 HD3 LYS A 449 -2.469 5.371 -3.829 1.00 14.45 H new ATOM 0 HE2 LYS A 449 -1.201 6.974 -2.439 1.00 54.13 H new ATOM 0 HE3 LYS A 449 -1.123 8.113 -3.769 1.00 54.13 H new ATOM 0 HZ1 LYS A 449 -2.911 8.404 -1.965 1.00 31.32 H new ATOM 0 HZ2 LYS A 449 -3.351 8.623 -3.590 1.00 31.32 H new ATOM 0 HZ3 LYS A 449 -3.746 7.178 -2.791 1.00 31.32 H new ATOM 2173 N LEU A 450 2.491 2.935 -2.636 1.00 71.41 N ATOM 2174 CA LEU A 450 3.189 2.412 -1.437 1.00 4.10 C ATOM 2175 C LEU A 450 4.703 2.271 -1.685 1.00 40.12 C ATOM 2176 O LEU A 450 5.481 2.166 -0.742 1.00 51.13 O ATOM 2177 CB LEU A 450 2.539 1.094 -0.875 1.00 60.45 C ATOM 2178 CG LEU A 450 2.667 -0.260 -1.676 1.00 34.22 C ATOM 2179 CD1 LEU A 450 4.057 -0.938 -1.558 1.00 61.14 C ATOM 2180 CD2 LEU A 450 1.551 -1.252 -1.265 1.00 42.41 C ATOM 0 H LEU A 450 1.942 2.238 -3.138 1.00 71.41 H new ATOM 0 HA LEU A 450 3.062 3.154 -0.649 1.00 4.10 H new ATOM 0 HB2 LEU A 450 2.959 0.924 0.116 1.00 60.45 H new ATOM 0 HB3 LEU A 450 1.475 1.290 -0.741 1.00 60.45 H new ATOM 0 HG LEU A 450 2.550 0.012 -2.725 1.00 34.22 H new ATOM 0 HD11 LEU A 450 4.062 -1.862 -2.137 1.00 61.14 H new ATOM 0 HD12 LEU A 450 4.824 -0.265 -1.942 1.00 61.14 H new ATOM 0 HD13 LEU A 450 4.264 -1.164 -0.512 1.00 61.14 H new ATOM 0 HD21 LEU A 450 1.660 -2.177 -1.831 1.00 42.41 H new ATOM 0 HD22 LEU A 450 1.629 -1.467 -0.199 1.00 42.41 H new ATOM 0 HD23 LEU A 450 0.577 -0.811 -1.476 1.00 42.41 H new ATOM 2192 N ASN A 451 5.099 2.256 -2.969 1.00 4.33 N ATOM 2193 CA ASN A 451 6.516 2.225 -3.379 1.00 12.54 C ATOM 2194 C ASN A 451 7.104 3.647 -3.296 1.00 35.35 C ATOM 2195 O ASN A 451 8.234 3.842 -2.826 1.00 21.22 O ATOM 2196 CB ASN A 451 6.660 1.637 -4.811 1.00 10.23 C ATOM 2197 CG ASN A 451 8.120 1.394 -5.215 1.00 54.15 C ATOM 2198 OD1 ASN A 451 8.678 0.332 -4.953 1.00 42.32 O ATOM 2199 ND2 ASN A 451 8.750 2.375 -5.835 1.00 3.02 N ATOM 0 H ASN A 451 4.447 2.265 -3.753 1.00 4.33 H new ATOM 0 HA ASN A 451 7.074 1.576 -2.703 1.00 12.54 H new ATOM 0 HB2 ASN A 451 6.112 0.697 -4.869 1.00 10.23 H new ATOM 0 HB3 ASN A 451 6.200 2.319 -5.526 1.00 10.23 H new ATOM 0 HD21 ASN A 451 9.726 2.261 -6.109 1.00 3.02 H new ATOM 0 HD22 ASN A 451 8.261 3.246 -6.040 1.00 3.02 H new ATOM 2206 N ASN A 452 6.304 4.635 -3.742 1.00 42.13 N ATOM 2207 CA ASN A 452 6.645 6.068 -3.623 1.00 60.12 C ATOM 2208 C ASN A 452 6.785 6.448 -2.140 1.00 15.23 C ATOM 2209 O ASN A 452 7.791 7.066 -1.734 1.00 13.41 O ATOM 2210 CB ASN A 452 5.551 6.948 -4.295 1.00 54.22 C ATOM 2211 CG ASN A 452 5.813 8.459 -4.178 1.00 53.03 C ATOM 2212 OD1 ASN A 452 6.959 8.915 -4.200 1.00 43.41 O ATOM 2213 ND2 ASN A 452 4.761 9.245 -4.028 1.00 61.44 N ATOM 0 H ASN A 452 5.406 4.464 -4.194 1.00 42.13 H new ATOM 0 HA ASN A 452 7.593 6.245 -4.132 1.00 60.12 H new ATOM 0 HB2 ASN A 452 5.480 6.681 -5.350 1.00 54.22 H new ATOM 0 HB3 ASN A 452 4.586 6.720 -3.843 1.00 54.22 H new ATOM 0 HD21 ASN A 452 4.887 10.252 -3.927 1.00 61.44 H new ATOM 0 HD22 ASN A 452 3.823 8.844 -4.013 1.00 61.44 H new ATOM 2220 N THR A 453 5.776 6.028 -1.341 1.00 24.10 N ATOM 2221 CA THR A 453 5.720 6.323 0.083 1.00 52.23 C ATOM 2222 C THR A 453 6.915 5.691 0.784 1.00 45.44 C ATOM 2223 O THR A 453 7.697 6.425 1.350 1.00 72.01 O ATOM 2224 CB THR A 453 4.380 5.873 0.753 1.00 41.23 C ATOM 2225 OG1 THR A 453 4.198 4.486 0.547 1.00 21.32 O ATOM 2226 CG2 THR A 453 3.159 6.632 0.197 1.00 1.50 C ATOM 0 H THR A 453 4.987 5.477 -1.679 1.00 24.10 H new ATOM 0 HA THR A 453 5.760 7.407 0.191 1.00 52.23 H new ATOM 0 HB THR A 453 4.453 6.101 1.816 1.00 41.23 H new ATOM 0 HG1 THR A 453 3.934 4.062 1.390 1.00 21.32 H new ATOM 0 HG21 THR A 453 2.255 6.282 0.695 1.00 1.50 H new ATOM 0 HG22 THR A 453 3.282 7.700 0.377 1.00 1.50 H new ATOM 0 HG23 THR A 453 3.075 6.452 -0.875 1.00 1.50 H new ATOM 2234 N SER A 454 7.090 4.353 0.651 1.00 61.01 N ATOM 2235 CA SER A 454 8.185 3.593 1.301 1.00 33.44 C ATOM 2236 C SER A 454 9.559 4.223 1.067 1.00 24.10 C ATOM 2237 O SER A 454 10.399 4.240 1.975 1.00 61.44 O ATOM 2238 CB SER A 454 8.206 2.131 0.809 1.00 35.25 C ATOM 2239 OG SER A 454 8.338 2.041 -0.596 1.00 23.04 O ATOM 0 H SER A 454 6.472 3.769 0.087 1.00 61.01 H new ATOM 0 HA SER A 454 7.981 3.620 2.371 1.00 33.44 H new ATOM 0 HB2 SER A 454 9.032 1.602 1.284 1.00 35.25 H new ATOM 0 HB3 SER A 454 7.287 1.632 1.118 1.00 35.25 H new ATOM 0 HG SER A 454 8.179 2.921 -0.997 1.00 23.04 H new ATOM 2245 N SER A 455 9.766 4.736 -0.166 1.00 12.43 N ATOM 2246 CA SER A 455 10.989 5.447 -0.539 1.00 21.11 C ATOM 2247 C SER A 455 11.221 6.665 0.383 1.00 34.41 C ATOM 2248 O SER A 455 12.184 6.686 1.174 1.00 22.23 O ATOM 2249 CB SER A 455 10.934 5.874 -2.028 1.00 13.13 C ATOM 2250 OG SER A 455 12.169 6.430 -2.450 1.00 73.31 O ATOM 0 H SER A 455 9.086 4.664 -0.923 1.00 12.43 H new ATOM 0 HA SER A 455 11.834 4.770 -0.411 1.00 21.11 H new ATOM 0 HB2 SER A 455 10.691 5.011 -2.647 1.00 13.13 H new ATOM 0 HB3 SER A 455 10.137 6.603 -2.170 1.00 13.13 H new ATOM 0 HG SER A 455 12.106 6.689 -3.393 1.00 73.31 H new ATOM 2256 N TYR A 456 10.301 7.660 0.336 1.00 13.32 N ATOM 2257 CA TYR A 456 10.471 8.896 1.129 1.00 45.42 C ATOM 2258 C TYR A 456 10.232 8.665 2.639 1.00 63.30 C ATOM 2259 O TYR A 456 10.704 9.449 3.450 1.00 3.20 O ATOM 2260 CB TYR A 456 9.637 10.092 0.572 1.00 20.12 C ATOM 2261 CG TYR A 456 8.093 9.971 0.573 1.00 30.30 C ATOM 2262 CD1 TYR A 456 7.357 9.917 1.765 1.00 14.25 C ATOM 2263 CD2 TYR A 456 7.364 9.989 -0.622 1.00 64.01 C ATOM 2264 CE1 TYR A 456 5.981 9.873 1.761 1.00 54.33 C ATOM 2265 CE2 TYR A 456 5.979 9.938 -0.625 1.00 75.31 C ATOM 2266 CZ TYR A 456 5.297 9.886 0.571 1.00 53.51 C ATOM 2267 OH TYR A 456 3.919 9.855 0.580 1.00 74.43 O ATOM 0 H TYR A 456 9.453 7.631 -0.230 1.00 13.32 H new ATOM 0 HA TYR A 456 11.517 9.181 1.021 1.00 45.42 H new ATOM 0 HB2 TYR A 456 9.902 10.979 1.147 1.00 20.12 H new ATOM 0 HB3 TYR A 456 9.956 10.271 -0.455 1.00 20.12 H new ATOM 0 HD1 TYR A 456 7.882 9.910 2.709 1.00 14.25 H new ATOM 0 HD2 TYR A 456 7.892 10.044 -1.562 1.00 64.01 H new ATOM 0 HE1 TYR A 456 5.440 9.828 2.694 1.00 54.33 H new ATOM 0 HE2 TYR A 456 5.437 9.939 -1.559 1.00 75.31 H new ATOM 0 HH TYR A 456 3.585 9.871 -0.341 1.00 74.43 H new ATOM 2277 N LEU A 457 9.509 7.581 3.000 1.00 44.11 N ATOM 2278 CA LEU A 457 9.186 7.236 4.406 1.00 50.11 C ATOM 2279 C LEU A 457 10.438 6.738 5.125 1.00 4.41 C ATOM 2280 O LEU A 457 10.657 7.092 6.273 1.00 44.52 O ATOM 2281 CB LEU A 457 8.068 6.145 4.520 1.00 34.12 C ATOM 2282 CG LEU A 457 6.596 6.592 4.275 1.00 15.35 C ATOM 2283 CD1 LEU A 457 5.625 5.392 4.401 1.00 32.11 C ATOM 2284 CD2 LEU A 457 6.199 7.736 5.223 1.00 70.11 C ATOM 0 H LEU A 457 9.131 6.918 2.323 1.00 44.11 H new ATOM 0 HA LEU A 457 8.812 8.148 4.873 1.00 50.11 H new ATOM 0 HB2 LEU A 457 8.300 5.351 3.811 1.00 34.12 H new ATOM 0 HB3 LEU A 457 8.125 5.709 5.517 1.00 34.12 H new ATOM 0 HG LEU A 457 6.525 6.971 3.256 1.00 15.35 H new ATOM 0 HD11 LEU A 457 4.604 5.730 4.226 1.00 32.11 H new ATOM 0 HD12 LEU A 457 5.887 4.633 3.664 1.00 32.11 H new ATOM 0 HD13 LEU A 457 5.700 4.967 5.402 1.00 32.11 H new ATOM 0 HD21 LEU A 457 5.167 8.027 5.029 1.00 70.11 H new ATOM 0 HD22 LEU A 457 6.294 7.402 6.256 1.00 70.11 H new ATOM 0 HD23 LEU A 457 6.855 8.591 5.056 1.00 70.11 H new ATOM 2296 N THR A 458 11.234 5.893 4.442 1.00 40.11 N ATOM 2297 CA THR A 458 12.459 5.323 5.022 1.00 71.51 C ATOM 2298 C THR A 458 13.563 6.400 5.102 1.00 72.24 C ATOM 2299 O THR A 458 14.361 6.411 6.055 1.00 31.02 O ATOM 2300 CB THR A 458 12.940 4.052 4.236 1.00 24.21 C ATOM 2301 OG1 THR A 458 13.882 3.316 5.033 1.00 3.34 O ATOM 2302 CG2 THR A 458 13.581 4.379 2.868 1.00 13.42 C ATOM 0 H THR A 458 11.047 5.591 3.486 1.00 40.11 H new ATOM 0 HA THR A 458 12.233 4.992 6.036 1.00 71.51 H new ATOM 0 HB THR A 458 12.048 3.458 4.037 1.00 24.21 H new ATOM 0 HG1 THR A 458 14.179 2.523 4.540 1.00 3.34 H new ATOM 0 HG21 THR A 458 13.890 3.454 2.381 1.00 13.42 H new ATOM 0 HG22 THR A 458 12.855 4.895 2.240 1.00 13.42 H new ATOM 0 HG23 THR A 458 14.451 5.018 3.017 1.00 13.42 H new ATOM 2310 N GLN A 459 13.579 7.317 4.101 1.00 14.03 N ATOM 2311 CA GLN A 459 14.463 8.504 4.118 1.00 5.41 C ATOM 2312 C GLN A 459 14.124 9.408 5.322 1.00 73.34 C ATOM 2313 O GLN A 459 15.006 9.787 6.103 1.00 4.43 O ATOM 2314 CB GLN A 459 14.330 9.312 2.797 1.00 54.52 C ATOM 2315 CG GLN A 459 14.762 8.560 1.522 1.00 24.13 C ATOM 2316 CD GLN A 459 14.577 9.362 0.219 1.00 25.31 C ATOM 2317 OE1 GLN A 459 13.571 10.232 0.160 1.00 23.15 O flip ATOM 2318 NE2 GLN A 459 15.331 9.192 -0.741 1.00 64.24 N flip ATOM 0 H GLN A 459 12.988 7.254 3.272 1.00 14.03 H new ATOM 0 HA GLN A 459 15.492 8.158 4.211 1.00 5.41 H new ATOM 0 HB2 GLN A 459 13.291 9.622 2.682 1.00 54.52 H new ATOM 0 HB3 GLN A 459 14.926 10.220 2.884 1.00 54.52 H new ATOM 0 HG2 GLN A 459 15.811 8.281 1.617 1.00 24.13 H new ATOM 0 HG3 GLN A 459 14.191 7.634 1.449 1.00 24.13 H new ATOM 0 HE21 GLN A 459 16.096 8.521 -0.676 1.00 64.24 H new ATOM 0 HE22 GLN A 459 15.190 9.723 -1.601 1.00 64.24 H new ATOM 2327 N GLN A 460 12.820 9.694 5.468 1.00 31.10 N ATOM 2328 CA GLN A 460 12.287 10.620 6.480 1.00 0.41 C ATOM 2329 C GLN A 460 12.422 10.015 7.895 1.00 44.13 C ATOM 2330 O GLN A 460 12.710 10.732 8.848 1.00 11.02 O ATOM 2331 CB GLN A 460 10.798 10.957 6.130 1.00 3.24 C ATOM 2332 CG GLN A 460 10.243 12.248 6.766 1.00 74.34 C ATOM 2333 CD GLN A 460 9.966 12.147 8.267 1.00 62.14 C ATOM 2334 OE1 GLN A 460 10.263 13.205 8.984 1.00 51.35 O flip ATOM 2335 NE2 GLN A 460 9.547 11.106 8.777 1.00 73.10 N flip ATOM 0 H GLN A 460 12.097 9.283 4.878 1.00 31.10 H new ATOM 0 HA GLN A 460 12.863 11.546 6.474 1.00 0.41 H new ATOM 0 HB2 GLN A 460 10.707 11.038 5.047 1.00 3.24 H new ATOM 0 HB3 GLN A 460 10.172 10.121 6.441 1.00 3.24 H new ATOM 0 HG2 GLN A 460 10.953 13.057 6.594 1.00 74.34 H new ATOM 0 HG3 GLN A 460 9.319 12.521 6.256 1.00 74.34 H new ATOM 0 HE21 GLN A 460 9.326 10.303 8.188 1.00 73.10 H new ATOM 0 HE22 GLN A 460 9.421 11.048 9.788 1.00 73.10 H new ATOM 2344 N PHE A 461 12.214 8.694 7.995 1.00 53.13 N ATOM 2345 CA PHE A 461 12.325 7.927 9.252 1.00 43.14 C ATOM 2346 C PHE A 461 13.742 8.021 9.819 1.00 52.43 C ATOM 2347 O PHE A 461 13.932 8.444 10.964 1.00 71.21 O ATOM 2348 CB PHE A 461 11.933 6.439 8.996 1.00 20.13 C ATOM 2349 CG PHE A 461 12.359 5.431 10.065 1.00 12.43 C ATOM 2350 CD1 PHE A 461 12.028 5.610 11.406 1.00 34.14 C ATOM 2351 CD2 PHE A 461 13.105 4.300 9.721 1.00 45.13 C ATOM 2352 CE1 PHE A 461 12.433 4.699 12.358 1.00 22.42 C ATOM 2353 CE2 PHE A 461 13.500 3.392 10.679 1.00 42.33 C ATOM 2354 CZ PHE A 461 13.166 3.594 11.998 1.00 4.10 C ATOM 0 H PHE A 461 11.960 8.116 7.194 1.00 53.13 H new ATOM 0 HA PHE A 461 11.641 8.352 9.987 1.00 43.14 H new ATOM 0 HB2 PHE A 461 10.850 6.385 8.887 1.00 20.13 H new ATOM 0 HB3 PHE A 461 12.365 6.131 8.044 1.00 20.13 H new ATOM 0 HD1 PHE A 461 11.448 6.471 11.703 1.00 34.14 H new ATOM 0 HD2 PHE A 461 13.376 4.135 8.689 1.00 45.13 H new ATOM 0 HE1 PHE A 461 12.172 4.855 13.394 1.00 22.42 H new ATOM 0 HE2 PHE A 461 14.072 2.521 10.394 1.00 42.33 H new ATOM 0 HZ PHE A 461 13.480 2.885 12.750 1.00 4.10 H new ATOM 2364 N THR A 462 14.723 7.610 9.000 1.00 70.30 N ATOM 2365 CA THR A 462 16.134 7.585 9.389 1.00 74.35 C ATOM 2366 C THR A 462 16.648 9.014 9.676 1.00 24.03 C ATOM 2367 O THR A 462 17.527 9.199 10.513 1.00 52.25 O ATOM 2368 CB THR A 462 16.982 6.877 8.288 1.00 12.12 C ATOM 2369 OG1 THR A 462 16.404 5.592 8.001 1.00 42.24 O ATOM 2370 CG2 THR A 462 18.454 6.685 8.697 1.00 2.20 C ATOM 0 H THR A 462 14.555 7.286 8.048 1.00 70.30 H new ATOM 0 HA THR A 462 16.237 7.013 10.311 1.00 74.35 H new ATOM 0 HB THR A 462 16.970 7.520 7.408 1.00 12.12 H new ATOM 0 HG1 THR A 462 15.671 5.699 7.359 1.00 42.24 H new ATOM 0 HG21 THR A 462 18.994 6.187 7.891 1.00 2.20 H new ATOM 0 HG22 THR A 462 18.907 7.657 8.891 1.00 2.20 H new ATOM 0 HG23 THR A 462 18.504 6.074 9.599 1.00 2.20 H new ATOM 2378 N ALA A 463 16.053 10.016 8.993 1.00 62.34 N ATOM 2379 CA ALA A 463 16.347 11.440 9.229 1.00 55.33 C ATOM 2380 C ALA A 463 15.820 11.894 10.612 1.00 73.13 C ATOM 2381 O ALA A 463 16.579 12.422 11.436 1.00 74.10 O ATOM 2382 CB ALA A 463 15.729 12.289 8.105 1.00 12.43 C ATOM 0 H ALA A 463 15.357 9.857 8.264 1.00 62.34 H new ATOM 0 HA ALA A 463 17.428 11.579 9.226 1.00 55.33 H new ATOM 0 HB1 ALA A 463 15.948 13.342 8.282 1.00 12.43 H new ATOM 0 HB2 ALA A 463 16.151 11.987 7.147 1.00 12.43 H new ATOM 0 HB3 ALA A 463 14.649 12.141 8.089 1.00 12.43 H new ATOM 2388 N MET A 464 14.524 11.618 10.873 1.00 65.32 N ATOM 2389 CA MET A 464 13.820 12.082 12.094 1.00 54.50 C ATOM 2390 C MET A 464 14.425 11.438 13.344 1.00 12.11 C ATOM 2391 O MET A 464 14.541 12.080 14.391 1.00 31.31 O ATOM 2392 CB MET A 464 12.306 11.721 12.029 1.00 25.12 C ATOM 2393 CG MET A 464 11.484 12.196 13.249 1.00 13.31 C ATOM 2394 SD MET A 464 9.870 11.405 13.383 1.00 5.33 S ATOM 2395 CE MET A 464 9.039 11.964 11.903 1.00 4.21 C ATOM 0 H MET A 464 13.935 11.069 10.247 1.00 65.32 H new ATOM 0 HA MET A 464 13.935 13.165 12.148 1.00 54.50 H new ATOM 0 HB2 MET A 464 11.879 12.158 11.126 1.00 25.12 H new ATOM 0 HB3 MET A 464 12.206 10.639 11.938 1.00 25.12 H new ATOM 0 HG2 MET A 464 12.052 12.000 14.158 1.00 13.31 H new ATOM 0 HG3 MET A 464 11.346 13.275 13.186 1.00 13.31 H new ATOM 0 HE1 MET A 464 8.364 11.185 11.549 1.00 4.21 H new ATOM 0 HE2 MET A 464 8.468 12.866 12.125 1.00 4.21 H new ATOM 0 HE3 MET A 464 9.777 12.182 11.132 1.00 4.21 H new ATOM 2405 N ASN A 465 14.840 10.178 13.196 1.00 62.21 N ATOM 2406 CA ASN A 465 15.405 9.380 14.287 1.00 62.40 C ATOM 2407 C ASN A 465 16.877 9.801 14.507 1.00 53.05 C ATOM 2408 O ASN A 465 17.223 10.314 15.578 1.00 20.20 O ATOM 2409 CB ASN A 465 15.244 7.861 13.958 1.00 42.21 C ATOM 2410 CG ASN A 465 15.544 6.921 15.132 1.00 5.43 C ATOM 2411 OD1 ASN A 465 16.431 7.168 15.944 1.00 41.35 O ATOM 2412 ND2 ASN A 465 14.806 5.828 15.231 1.00 31.34 N ATOM 0 H ASN A 465 14.793 9.678 12.308 1.00 62.21 H new ATOM 0 HA ASN A 465 14.873 9.558 15.221 1.00 62.40 H new ATOM 0 HB2 ASN A 465 14.224 7.682 13.617 1.00 42.21 H new ATOM 0 HB3 ASN A 465 15.906 7.610 13.129 1.00 42.21 H new ATOM 0 HD21 ASN A 465 14.969 5.170 15.993 1.00 31.34 H new ATOM 0 HD22 ASN A 465 14.074 5.643 14.545 1.00 31.34 H new ATOM 2419 N LYS A 466 17.738 9.567 13.488 1.00 64.20 N ATOM 2420 CA LYS A 466 19.158 10.003 13.494 1.00 0.41 C ATOM 2421 C LYS A 466 19.515 10.845 12.230 1.00 33.31 C ATOM 2422 O LYS A 466 20.005 10.290 11.239 1.00 31.21 O ATOM 2423 CB LYS A 466 20.127 8.779 13.681 1.00 42.40 C ATOM 2424 CG LYS A 466 19.884 7.547 12.749 1.00 60.21 C ATOM 2425 CD LYS A 466 18.839 6.539 13.297 1.00 4.02 C ATOM 2426 CE LYS A 466 19.331 5.797 14.558 1.00 13.43 C ATOM 2427 NZ LYS A 466 18.283 4.899 15.127 1.00 45.23 N ATOM 0 H LYS A 466 17.469 9.071 12.638 1.00 64.20 H new ATOM 0 HA LYS A 466 19.295 10.660 14.353 1.00 0.41 H new ATOM 0 HB2 LYS A 466 21.149 9.126 13.528 1.00 42.40 H new ATOM 0 HB3 LYS A 466 20.056 8.443 14.716 1.00 42.40 H new ATOM 0 HG2 LYS A 466 19.554 7.902 11.773 1.00 60.21 H new ATOM 0 HG3 LYS A 466 20.830 7.027 12.596 1.00 60.21 H new ATOM 0 HD2 LYS A 466 17.916 7.070 13.530 1.00 4.02 H new ATOM 0 HD3 LYS A 466 18.601 5.811 12.522 1.00 4.02 H new ATOM 0 HE2 LYS A 466 20.215 5.210 14.310 1.00 13.43 H new ATOM 0 HE3 LYS A 466 19.632 6.525 15.312 1.00 13.43 H new ATOM 0 HZ1 LYS A 466 18.734 4.165 15.710 1.00 45.23 H new ATOM 0 HZ2 LYS A 466 17.630 5.456 15.715 1.00 45.23 H new ATOM 0 HZ3 LYS A 466 17.754 4.449 14.353 1.00 45.23 H new ATOM 2441 N SER A 467 19.176 12.159 12.236 1.00 42.32 N ATOM 2442 CA SER A 467 19.682 13.146 11.239 1.00 64.32 C ATOM 2443 C SER A 467 21.220 13.012 11.007 1.00 22.40 C ATOM 2444 O SER A 467 21.630 12.466 9.961 1.00 10.42 O ATOM 2445 CB SER A 467 19.335 14.591 11.689 1.00 4.42 C ATOM 2446 OG SER A 467 17.940 14.756 11.881 1.00 41.15 O ATOM 2447 OXT SER A 467 22.007 13.414 11.888 1.00 38.26 O ATOM 0 H SER A 467 18.547 12.566 12.928 1.00 42.32 H new ATOM 0 HA SER A 467 19.188 12.932 10.291 1.00 64.32 H new ATOM 0 HB2 SER A 467 19.860 14.820 12.616 1.00 4.42 H new ATOM 0 HB3 SER A 467 19.686 15.300 10.940 1.00 4.42 H new ATOM 0 HG SER A 467 17.489 13.894 11.760 1.00 41.15 H new TER 2453 SER A 467