USER MOD reduce.3.24.130724 H: found=0, std=0, add=1234, rem=0, adj=48 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 52 THR OG1 : rot 10:sc= 1.14 USER MOD Set 1.2: A 460 GLN : amide:sc= -0.0905 X(o=0.65,f=0.65) USER MOD Set 1.3: A 464 MET CE :methyl -149:sc= -0.406 (180deg=-0.364) USER MOD Set 2.1: A 437 LYS NZ :NH3+ -173:sc= 0.122 (180deg=-0.194) USER MOD Set 2.2: A 441 THR OG1 : rot -100:sc= 0.18 USER MOD Set 3.1: A 79 LYS NZ :NH3+ -171:sc= 0.93 (180deg=-0.00923) USER MOD Set 3.2: A 451 ASN : amide:sc= 0.872 K(o=1.8,f=-2.5) USER MOD Set 4.1: A 18 SER OG : rot -82:sc= 0.722 USER MOD Set 4.2: A 40 TYR OH : rot 19:sc= 1.11 USER MOD Set 4.3: A 71 THR OG1 : rot -136:sc= 0.34 USER MOD Set 4.4: A 74 ASN :FLIP amide:sc= 0.353 F(o=0.52,f=2.5) USER MOD Set 5.1: A 2 THR OG1 : rot 180:sc= 0 USER MOD Set 5.2: 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot -104:sc= 0.927 USER MOD Single : A 9 ASN : amide:sc= -0.45 X(o=-0.45,f=-0.34) USER MOD Single : A 12 GLN : amide:sc= 0.111 K(o=0.11,f=-1.5) USER MOD Single : A 19 GLN :FLIP amide:sc= 0 F(o=-0.62,f=0) USER MOD Single : A 20 SER OG : rot 79:sc= 1.23 USER MOD Single : A 26 GLN :FLIP amide:sc= 0 F(o=-0.65,f=0) USER MOD Single : A 35 GLN : amide:sc= -0.485 X(o=-0.49,f=-0.014) USER MOD Single : A 36 GLN : amide:sc= -0.101 K(o=-0.1,f=-0.97) USER MOD Single : A 39 SER OG : rot 180:sc= -0.0157 USER MOD Single : A 42 GLN : amide:sc= -0.494 X(o=-0.49,f=0) USER MOD Single : A 43 SER OG : rot 63:sc= 1.01 USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.184 USER MOD Single : A 48 MET CE :methyl -168:sc= -0.0202 (180deg=-0.0546) USER MOD Single : A 50 LYS NZ :NH3+ 171:sc= 0.456 (180deg=0.343) USER MOD Single : A 51 GLN : amide:sc= -0.0278 X(o=-0.028,f=-0.028) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0.0571 USER MOD Single : A 59 SER OG : rot -170:sc= 0.904 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 MET CE :methyl 165:sc= -3.71! (180deg=-3.98!) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN :FLIP amide:sc= -0.0348 F(o=-0.96,f=-0.035) USER MOD Single : A 76 GLN :FLIP amide:sc= 0 F(o=-0.5,f=0) USER MOD Single : A 83 GLN : amide:sc= -0.397 X(o=-0.4,f=0) USER MOD Single : A 84 GLN : amide:sc= -0.323 X(o=-0.32,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 : amide:sc= -0.48 X(o=-0.48,f=0) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 428 SER OG : rot 59:sc= 0.299 USER MOD Single : A 432 THR OG1 : rot 180:sc= -0.0377 USER MOD Single : A 436 TYR OH : rot 180:sc= 0 USER MOD Single : A 439 GLN : amide:sc= -0.0013 X(o=-0.0013,f=-0.0013) USER MOD Single : A 442 GLN :FLIP amide:sc= -0.0169 F(o=-1.1,f=-0.017) USER MOD Single : A 445 THR OG1 : rot 180:sc= 0 USER MOD Single : A 446 MET CE :methyl -123:sc=-0.00391 (180deg=-1.79!) USER MOD Single : A 447 MET CE :methyl -150:sc= -2.45 (180deg=-4.98!) USER MOD Single : A 448 SER OG : rot 180:sc= 0 USER MOD Single : A 449 LYS NZ :NH3+ -151:sc= -2.71! (180deg=-6.91!) USER MOD Single : A 452 ASN : amide:sc= -0.0709 X(o=-0.071,f=-0.099) USER MOD Single : A 453 THR OG1 : rot 155:sc= -1.33! USER MOD Single : A 454 SER OG : rot -83:sc= 0.636 USER MOD Single : A 455 SER OG : rot 180:sc= 0 USER MOD Single : A 456 TYR OH : rot 180:sc= -1.16 USER MOD Single : A 458 THR OG1 : rot 180:sc= 0 USER MOD Single : A 459 GLN :FLIP amide:sc= -0.153 F(o=-1.4,f=-0.15) USER MOD Single : A 462 THR OG1 : rot 77:sc= 1.26 USER MOD Single : A 465 ASN : amide:sc= 0.307 K(o=0.31,f=-1.6) USER MOD Single : A 466 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0239) USER MOD Single : A 467 SER OG : rot 57:sc= 1.24 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.228 21.907 21.101 1.00 0.11 N ATOM 2 CA MET A 1 -0.157 21.600 20.123 1.00 20.31 C ATOM 3 C MET A 1 -0.766 20.933 18.866 1.00 10.31 C ATOM 4 O MET A 1 -0.680 19.720 18.682 1.00 23.34 O ATOM 5 CB MET A 1 0.965 20.727 20.790 1.00 10.14 C ATOM 6 CG MET A 1 0.496 19.390 21.411 1.00 71.01 C ATOM 7 SD MET A 1 1.872 18.383 22.018 1.00 10.33 S ATOM 8 CE MET A 1 1.052 16.838 22.434 1.00 30.10 C ATOM 0 H1 MET A 1 -0.812 22.355 21.942 1.00 0.11 H new ATOM 0 H2 MET A 1 -1.917 22.555 20.669 1.00 0.11 H new ATOM 0 H3 MET A 1 -1.707 21.027 21.379 1.00 0.11 H new ATOM 0 HA MET A 1 0.319 22.526 19.800 1.00 20.31 H new ATOM 0 HB2 MET A 1 1.725 20.511 20.040 1.00 10.14 H new ATOM 0 HB3 MET A 1 1.445 21.319 21.569 1.00 10.14 H new ATOM 0 HG2 MET A 1 -0.189 19.596 22.234 1.00 71.01 H new ATOM 0 HG3 MET A 1 -0.063 18.824 20.666 1.00 71.01 H new ATOM 0 HE1 MET A 1 1.785 16.129 22.820 1.00 30.10 H new ATOM 0 HE2 MET A 1 0.291 17.023 23.193 1.00 30.10 H new ATOM 0 HE3 MET A 1 0.582 16.424 21.542 1.00 30.10 H new ATOM 20 N THR A 2 -1.401 21.755 18.002 1.00 35.43 N ATOM 21 CA THR A 2 -2.149 21.277 16.814 1.00 31.22 C ATOM 22 C THR A 2 -1.265 20.429 15.873 1.00 15.04 C ATOM 23 O THR A 2 -1.611 19.284 15.558 1.00 50.44 O ATOM 24 CB THR A 2 -2.775 22.478 16.017 1.00 21.35 C ATOM 25 OG1 THR A 2 -1.762 23.449 15.706 1.00 1.42 O ATOM 26 CG2 THR A 2 -3.917 23.162 16.790 1.00 12.24 C ATOM 0 H THR A 2 -1.411 22.770 18.107 1.00 35.43 H new ATOM 0 HA THR A 2 -2.952 20.641 17.187 1.00 31.22 H new ATOM 0 HB THR A 2 -3.193 22.066 15.099 1.00 21.35 H new ATOM 0 HG1 THR A 2 -2.163 24.192 15.208 1.00 1.42 H new ATOM 0 HG21 THR A 2 -4.316 23.985 16.197 1.00 12.24 H new ATOM 0 HG22 THR A 2 -4.709 22.439 16.985 1.00 12.24 H new ATOM 0 HG23 THR A 2 -3.536 23.548 17.736 1.00 12.24 H new ATOM 34 N SER A 3 -0.101 20.990 15.502 1.00 21.14 N ATOM 35 CA SER A 3 0.842 20.372 14.555 1.00 74.51 C ATOM 36 C SER A 3 1.436 19.052 15.112 1.00 3.42 C ATOM 37 O SER A 3 1.560 18.045 14.394 1.00 52.14 O ATOM 38 CB SER A 3 1.966 21.385 14.244 1.00 4.22 C ATOM 39 OG SER A 3 1.438 22.639 13.856 1.00 33.53 O ATOM 0 H SER A 3 0.214 21.894 15.855 1.00 21.14 H new ATOM 0 HA SER A 3 0.306 20.116 13.641 1.00 74.51 H new ATOM 0 HB2 SER A 3 2.598 21.511 15.123 1.00 4.22 H new ATOM 0 HB3 SER A 3 2.601 20.994 13.449 1.00 4.22 H new ATOM 0 HG SER A 3 2.173 23.259 13.667 1.00 33.53 H new ATOM 45 N THR A 4 1.767 19.070 16.411 1.00 51.04 N ATOM 46 CA THR A 4 2.409 17.946 17.095 1.00 4.10 C ATOM 47 C THR A 4 1.411 16.803 17.355 1.00 35.34 C ATOM 48 O THR A 4 1.773 15.637 17.241 1.00 64.43 O ATOM 49 CB THR A 4 3.070 18.413 18.434 1.00 54.24 C ATOM 50 OG1 THR A 4 3.950 19.516 18.169 1.00 70.41 O ATOM 51 CG2 THR A 4 3.864 17.283 19.123 1.00 5.33 C ATOM 0 H THR A 4 1.594 19.872 17.018 1.00 51.04 H new ATOM 0 HA THR A 4 3.191 17.565 16.439 1.00 4.10 H new ATOM 0 HB THR A 4 2.268 18.711 19.110 1.00 54.24 H new ATOM 0 HG1 THR A 4 4.879 19.205 18.188 1.00 70.41 H new ATOM 0 HG21 THR A 4 4.303 17.658 20.047 1.00 5.33 H new ATOM 0 HG22 THR A 4 3.194 16.454 19.350 1.00 5.33 H new ATOM 0 HG23 THR A 4 4.657 16.938 18.459 1.00 5.33 H new ATOM 59 N VAL A 5 0.145 17.135 17.673 1.00 71.15 N ATOM 60 CA VAL A 5 -0.852 16.110 18.044 1.00 44.10 C ATOM 61 C VAL A 5 -1.367 15.372 16.783 1.00 51.00 C ATOM 62 O VAL A 5 -1.522 14.150 16.816 1.00 64.45 O ATOM 63 CB VAL A 5 -2.043 16.698 18.903 1.00 43.40 C ATOM 64 CG1 VAL A 5 -3.012 17.567 18.068 1.00 4.23 C ATOM 65 CG2 VAL A 5 -2.794 15.573 19.658 1.00 31.22 C ATOM 0 H VAL A 5 -0.209 18.091 17.681 1.00 71.15 H new ATOM 0 HA VAL A 5 -0.348 15.387 18.685 1.00 44.10 H new ATOM 0 HB VAL A 5 -1.598 17.364 19.643 1.00 43.40 H new ATOM 0 HG11 VAL A 5 -3.809 17.943 18.710 1.00 4.23 H new ATOM 0 HG12 VAL A 5 -2.467 18.406 17.636 1.00 4.23 H new ATOM 0 HG13 VAL A 5 -3.444 16.965 17.269 1.00 4.23 H new ATOM 0 HG21 VAL A 5 -3.607 16.006 20.240 1.00 31.22 H new ATOM 0 HG22 VAL A 5 -3.201 14.861 18.940 1.00 31.22 H new ATOM 0 HG23 VAL A 5 -2.103 15.059 20.326 1.00 31.22 H new ATOM 75 N GLU A 6 -1.574 16.119 15.666 1.00 32.42 N ATOM 76 CA GLU A 6 -1.975 15.527 14.366 1.00 14.03 C ATOM 77 C GLU A 6 -0.850 14.603 13.854 1.00 60.21 C ATOM 78 O GLU A 6 -1.113 13.552 13.256 1.00 33.00 O ATOM 79 CB GLU A 6 -2.309 16.634 13.320 1.00 14.15 C ATOM 80 CG GLU A 6 -1.119 17.534 12.925 1.00 13.54 C ATOM 81 CD GLU A 6 -1.468 18.664 11.945 1.00 24.55 C ATOM 82 OE1 GLU A 6 -2.189 19.598 12.344 1.00 21.42 O ATOM 83 OE2 GLU A 6 -1.014 18.627 10.774 1.00 11.21 O ATOM 0 H GLU A 6 -1.469 17.133 15.642 1.00 32.42 H new ATOM 0 HA GLU A 6 -2.881 14.938 14.512 1.00 14.03 H new ATOM 0 HB2 GLU A 6 -2.700 16.158 12.421 1.00 14.15 H new ATOM 0 HB3 GLU A 6 -3.105 17.263 13.719 1.00 14.15 H new ATOM 0 HG2 GLU A 6 -0.697 17.973 13.829 1.00 13.54 H new ATOM 0 HG3 GLU A 6 -0.342 16.912 12.480 1.00 13.54 H new ATOM 90 N PHE A 7 0.406 15.026 14.122 1.00 25.12 N ATOM 91 CA PHE A 7 1.620 14.239 13.871 1.00 43.34 C ATOM 92 C PHE A 7 1.557 12.857 14.577 1.00 12.04 C ATOM 93 O PHE A 7 1.614 11.823 13.896 1.00 51.04 O ATOM 94 CB PHE A 7 2.838 15.091 14.326 1.00 52.25 C ATOM 95 CG PHE A 7 4.209 14.436 14.233 1.00 52.51 C ATOM 96 CD1 PHE A 7 4.980 14.541 13.081 1.00 51.34 C ATOM 97 CD2 PHE A 7 4.748 13.748 15.320 1.00 65.25 C ATOM 98 CE1 PHE A 7 6.233 13.978 13.017 1.00 53.13 C ATOM 99 CE2 PHE A 7 5.997 13.189 15.245 1.00 75.13 C ATOM 100 CZ PHE A 7 6.741 13.305 14.097 1.00 65.13 C ATOM 0 H PHE A 7 0.601 15.942 14.526 1.00 25.12 H new ATOM 0 HA PHE A 7 1.717 14.014 12.809 1.00 43.34 H new ATOM 0 HB2 PHE A 7 2.856 16.003 13.729 1.00 52.25 H new ATOM 0 HB3 PHE A 7 2.675 15.391 15.361 1.00 52.25 H new ATOM 0 HD1 PHE A 7 4.590 15.072 12.225 1.00 51.34 H new ATOM 0 HD2 PHE A 7 4.175 13.655 16.231 1.00 65.25 H new ATOM 0 HE1 PHE A 7 6.818 14.067 12.113 1.00 53.13 H new ATOM 0 HE2 PHE A 7 6.398 12.654 16.093 1.00 75.13 H new ATOM 0 HZ PHE A 7 7.726 12.866 14.045 1.00 65.13 H new ATOM 110 N ILE A 8 1.382 12.869 15.926 1.00 54.23 N ATOM 111 CA ILE A 8 1.359 11.645 16.772 1.00 73.34 C ATOM 112 C ILE A 8 0.265 10.673 16.295 1.00 34.32 C ATOM 113 O ILE A 8 0.554 9.524 15.938 1.00 13.54 O ATOM 114 CB ILE A 8 1.073 11.984 18.292 1.00 23.15 C ATOM 115 CG1 ILE A 8 2.098 13.009 18.856 1.00 62.44 C ATOM 116 CG2 ILE A 8 1.055 10.693 19.159 1.00 1.43 C ATOM 117 CD1 ILE A 8 1.747 13.581 20.223 1.00 14.12 C ATOM 0 H ILE A 8 1.253 13.730 16.458 1.00 54.23 H new ATOM 0 HA ILE A 8 2.345 11.189 16.680 1.00 73.34 H new ATOM 0 HB ILE A 8 0.086 12.443 18.340 1.00 23.15 H new ATOM 0 HG12 ILE A 8 3.074 12.528 18.919 1.00 62.44 H new ATOM 0 HG13 ILE A 8 2.194 13.832 18.148 1.00 62.44 H new ATOM 0 HG21 ILE A 8 0.857 10.955 20.198 1.00 1.43 H new ATOM 0 HG22 ILE A 8 0.274 10.023 18.798 1.00 1.43 H new ATOM 0 HG23 ILE A 8 2.022 10.194 19.089 1.00 1.43 H new ATOM 0 HD11 ILE A 8 2.520 14.285 20.532 1.00 14.12 H new ATOM 0 HD12 ILE A 8 0.788 14.096 20.167 1.00 14.12 H new ATOM 0 HD13 ILE A 8 1.682 12.772 20.950 1.00 14.12 H new ATOM 129 N ASN A 9 -0.985 11.199 16.296 1.00 31.24 N ATOM 130 CA ASN A 9 -2.213 10.443 15.993 1.00 12.21 C ATOM 131 C ASN A 9 -2.106 9.708 14.656 1.00 72.20 C ATOM 132 O ASN A 9 -2.286 8.494 14.608 1.00 25.12 O ATOM 133 CB ASN A 9 -3.466 11.376 15.972 1.00 20.50 C ATOM 134 CG ASN A 9 -3.750 12.071 17.304 1.00 62.33 C ATOM 135 OD1 ASN A 9 -3.454 11.550 18.379 1.00 60.54 O ATOM 136 ND2 ASN A 9 -4.343 13.251 17.242 1.00 32.42 N ATOM 0 H ASN A 9 -1.165 12.179 16.512 1.00 31.24 H new ATOM 0 HA ASN A 9 -2.331 9.708 16.789 1.00 12.21 H new ATOM 0 HB2 ASN A 9 -3.328 12.134 15.201 1.00 20.50 H new ATOM 0 HB3 ASN A 9 -4.339 10.788 15.688 1.00 20.50 H new ATOM 0 HD21 ASN A 9 -4.567 13.755 18.100 1.00 32.42 H new ATOM 0 HD22 ASN A 9 -4.576 13.658 16.336 1.00 32.42 H new ATOM 143 N ARG A 10 -1.765 10.450 13.585 1.00 12.22 N ATOM 144 CA ARG A 10 -1.804 9.912 12.215 1.00 2.21 C ATOM 145 C ARG A 10 -0.662 8.918 11.930 1.00 20.43 C ATOM 146 O ARG A 10 -0.899 7.943 11.222 1.00 72.44 O ATOM 147 CB ARG A 10 -1.833 11.056 11.184 1.00 64.34 C ATOM 148 CG ARG A 10 -3.130 11.890 11.234 1.00 0.31 C ATOM 149 CD ARG A 10 -3.146 13.025 10.210 1.00 52.30 C ATOM 150 NE ARG A 10 -2.078 14.005 10.457 1.00 33.25 N ATOM 151 CZ ARG A 10 -1.893 15.129 9.763 1.00 4.10 C ATOM 152 NH1 ARG A 10 -2.678 15.469 8.753 1.00 63.44 N ATOM 153 NH2 ARG A 10 -0.903 15.926 10.095 1.00 70.02 N ATOM 0 H ARG A 10 -1.460 11.422 13.644 1.00 12.22 H new ATOM 0 HA ARG A 10 -2.728 9.341 12.121 1.00 2.21 H new ATOM 0 HB2 ARG A 10 -0.980 11.713 11.356 1.00 64.34 H new ATOM 0 HB3 ARG A 10 -1.717 10.638 10.184 1.00 64.34 H new ATOM 0 HG2 ARG A 10 -3.984 11.236 11.058 1.00 0.31 H new ATOM 0 HG3 ARG A 10 -3.250 12.307 12.234 1.00 0.31 H new ATOM 0 HD2 ARG A 10 -3.033 12.611 9.208 1.00 52.30 H new ATOM 0 HD3 ARG A 10 -4.113 13.527 10.240 1.00 52.30 H new ATOM 0 HE ARG A 10 -1.428 13.810 11.218 1.00 33.25 H new ATOM 0 HH11 ARG A 10 -3.454 14.864 8.484 1.00 63.44 H new ATOM 0 HH12 ARG A 10 -2.507 16.336 8.244 1.00 63.44 H new ATOM 0 HH21 ARG A 10 -0.290 15.681 10.873 1.00 70.02 H new ATOM 0 HH22 ARG A 10 -0.747 16.790 9.575 1.00 70.02 H new ATOM 167 N TRP A 11 0.556 9.146 12.484 1.00 73.31 N ATOM 168 CA TRP A 11 1.663 8.150 12.380 1.00 65.00 C ATOM 169 C TRP A 11 1.269 6.834 13.082 1.00 5.32 C ATOM 170 O TRP A 11 1.537 5.733 12.570 1.00 1.42 O ATOM 171 CB TRP A 11 2.995 8.679 12.988 1.00 10.13 C ATOM 172 CG TRP A 11 3.767 9.651 12.113 1.00 3.25 C ATOM 173 CD1 TRP A 11 4.188 10.902 12.454 1.00 55.24 C ATOM 174 CD2 TRP A 11 4.242 9.431 10.770 1.00 30.13 C ATOM 175 NE1 TRP A 11 4.890 11.466 11.424 1.00 74.20 N ATOM 176 CE2 TRP A 11 4.940 10.590 10.381 1.00 54.23 C ATOM 177 CE3 TRP A 11 4.146 8.371 9.862 1.00 54.35 C ATOM 178 CZ2 TRP A 11 5.541 10.721 9.134 1.00 33.22 C ATOM 179 CZ3 TRP A 11 4.743 8.500 8.622 1.00 2.32 C ATOM 180 CH2 TRP A 11 5.436 9.670 8.271 1.00 63.42 C ATOM 0 H TRP A 11 0.798 9.993 12.999 1.00 73.31 H new ATOM 0 HA TRP A 11 1.827 7.971 11.317 1.00 65.00 H new ATOM 0 HB2 TRP A 11 2.773 9.167 13.937 1.00 10.13 H new ATOM 0 HB3 TRP A 11 3.637 7.827 13.210 1.00 10.13 H new ATOM 0 HD1 TRP A 11 3.995 11.380 13.403 1.00 55.24 H new ATOM 0 HE1 TRP A 11 5.310 12.396 11.435 1.00 74.20 H new ATOM 0 HE3 TRP A 11 3.615 7.468 10.125 1.00 54.35 H new ATOM 0 HZ2 TRP A 11 6.071 11.621 8.859 1.00 33.22 H new ATOM 0 HZ3 TRP A 11 4.676 7.689 7.912 1.00 2.32 H new ATOM 0 HH2 TRP A 11 5.896 9.739 7.296 1.00 63.42 H new ATOM 191 N GLN A 12 0.616 6.985 14.249 1.00 51.14 N ATOM 192 CA GLN A 12 0.085 5.876 15.046 1.00 44.21 C ATOM 193 C GLN A 12 -0.928 5.070 14.218 1.00 33.32 C ATOM 194 O GLN A 12 -0.861 3.838 14.190 1.00 65.54 O ATOM 195 CB GLN A 12 -0.565 6.435 16.339 1.00 0.32 C ATOM 196 CG GLN A 12 -1.107 5.382 17.320 1.00 51.22 C ATOM 197 CD GLN A 12 -1.711 5.998 18.586 1.00 33.34 C ATOM 198 OE1 GLN A 12 -2.272 7.097 18.561 1.00 70.41 O ATOM 199 NE2 GLN A 12 -1.589 5.302 19.697 1.00 54.22 N ATOM 0 H GLN A 12 0.442 7.899 14.667 1.00 51.14 H new ATOM 0 HA GLN A 12 0.896 5.205 15.328 1.00 44.21 H new ATOM 0 HB2 GLN A 12 0.173 7.045 16.860 1.00 0.32 H new ATOM 0 HB3 GLN A 12 -1.384 7.097 16.056 1.00 0.32 H new ATOM 0 HG2 GLN A 12 -1.865 4.782 16.817 1.00 51.22 H new ATOM 0 HG3 GLN A 12 -0.300 4.706 17.601 1.00 51.22 H new ATOM 0 HE21 GLN A 12 -1.119 4.397 19.683 1.00 54.22 H new ATOM 0 HE22 GLN A 12 -1.964 5.668 20.572 1.00 54.22 H new ATOM 208 N ARG A 13 -1.816 5.796 13.492 1.00 24.44 N ATOM 209 CA ARG A 13 -2.847 5.180 12.638 1.00 23.42 C ATOM 210 C ARG A 13 -2.209 4.357 11.513 1.00 52.52 C ATOM 211 O ARG A 13 -2.639 3.239 11.266 1.00 4.50 O ATOM 212 CB ARG A 13 -3.799 6.236 12.012 1.00 33.21 C ATOM 213 CG ARG A 13 -4.592 7.088 13.019 1.00 62.44 C ATOM 214 CD ARG A 13 -5.393 6.258 14.037 1.00 62.44 C ATOM 215 NE ARG A 13 -6.137 7.123 14.965 1.00 50.11 N ATOM 216 CZ ARG A 13 -5.691 7.561 16.155 1.00 72.43 C ATOM 217 NH1 ARG A 13 -4.485 7.222 16.617 1.00 61.41 N ATOM 218 NH2 ARG A 13 -6.459 8.353 16.877 1.00 42.52 N ATOM 0 H ARG A 13 -1.833 6.816 13.486 1.00 24.44 H new ATOM 0 HA ARG A 13 -3.432 4.528 13.286 1.00 23.42 H new ATOM 0 HB2 ARG A 13 -3.211 6.903 11.382 1.00 33.21 H new ATOM 0 HB3 ARG A 13 -4.506 5.722 11.360 1.00 33.21 H new ATOM 0 HG2 ARG A 13 -3.900 7.737 13.557 1.00 62.44 H new ATOM 0 HG3 ARG A 13 -5.277 7.736 12.473 1.00 62.44 H new ATOM 0 HD2 ARG A 13 -6.088 5.604 13.510 1.00 62.44 H new ATOM 0 HD3 ARG A 13 -4.715 5.616 14.599 1.00 62.44 H new ATOM 0 HE ARG A 13 -7.072 7.416 14.681 1.00 50.11 H new ATOM 0 HH11 ARG A 13 -3.878 6.617 16.063 1.00 61.41 H new ATOM 0 HH12 ARG A 13 -4.170 7.568 17.523 1.00 61.41 H new ATOM 0 HH21 ARG A 13 -7.379 8.626 16.531 1.00 42.52 H new ATOM 0 HH22 ARG A 13 -6.133 8.693 17.782 1.00 42.52 H new ATOM 232 N ILE A 14 -1.172 4.928 10.865 1.00 61.12 N ATOM 233 CA ILE A 14 -0.478 4.306 9.716 1.00 5.24 C ATOM 234 C ILE A 14 0.160 2.953 10.112 1.00 15.42 C ATOM 235 O ILE A 14 0.058 1.979 9.364 1.00 45.04 O ATOM 236 CB ILE A 14 0.604 5.290 9.118 1.00 73.33 C ATOM 237 CG1 ILE A 14 -0.077 6.560 8.535 1.00 1.24 C ATOM 238 CG2 ILE A 14 1.487 4.623 8.039 1.00 54.34 C ATOM 239 CD1 ILE A 14 0.882 7.595 7.989 1.00 5.52 C ATOM 0 H ILE A 14 -0.790 5.838 11.125 1.00 61.12 H new ATOM 0 HA ILE A 14 -1.220 4.106 8.943 1.00 5.24 H new ATOM 0 HB ILE A 14 1.259 5.572 9.943 1.00 73.33 H new ATOM 0 HG12 ILE A 14 -0.757 6.258 7.739 1.00 1.24 H new ATOM 0 HG13 ILE A 14 -0.683 7.021 9.314 1.00 1.24 H new ATOM 0 HG21 ILE A 14 2.212 5.346 7.664 1.00 54.34 H new ATOM 0 HG22 ILE A 14 2.014 3.773 8.474 1.00 54.34 H new ATOM 0 HG23 ILE A 14 0.859 4.279 7.217 1.00 54.34 H new ATOM 0 HD11 ILE A 14 0.319 8.445 7.604 1.00 5.52 H new ATOM 0 HD12 ILE A 14 1.547 7.931 8.785 1.00 5.52 H new ATOM 0 HD13 ILE A 14 1.472 7.156 7.184 1.00 5.52 H new ATOM 251 N ALA A 15 0.779 2.906 11.311 1.00 21.23 N ATOM 252 CA ALA A 15 1.389 1.674 11.856 1.00 70.24 C ATOM 253 C ALA A 15 0.328 0.590 12.127 1.00 5.54 C ATOM 254 O ALA A 15 0.519 -0.585 11.786 1.00 11.51 O ATOM 255 CB ALA A 15 2.152 1.982 13.143 1.00 24.13 C ATOM 0 H ALA A 15 0.870 3.715 11.925 1.00 21.23 H new ATOM 0 HA ALA A 15 2.083 1.292 11.107 1.00 70.24 H new ATOM 0 HB1 ALA A 15 2.595 1.065 13.532 1.00 24.13 H new ATOM 0 HB2 ALA A 15 2.940 2.706 12.935 1.00 24.13 H new ATOM 0 HB3 ALA A 15 1.466 2.395 13.883 1.00 24.13 H new ATOM 261 N LEU A 16 -0.794 1.019 12.743 1.00 42.32 N ATOM 262 CA LEU A 16 -1.919 0.133 13.086 1.00 24.12 C ATOM 263 C LEU A 16 -2.574 -0.442 11.815 1.00 75.44 C ATOM 264 O LEU A 16 -2.838 -1.644 11.743 1.00 24.52 O ATOM 265 CB LEU A 16 -2.961 0.904 13.943 1.00 32.53 C ATOM 266 CG LEU A 16 -2.472 1.383 15.349 1.00 32.45 C ATOM 267 CD1 LEU A 16 -3.547 2.235 16.060 1.00 22.21 C ATOM 268 CD2 LEU A 16 -2.022 0.189 16.216 1.00 44.02 C ATOM 0 H LEU A 16 -0.942 1.991 13.015 1.00 42.32 H new ATOM 0 HA LEU A 16 -1.536 -0.704 13.670 1.00 24.12 H new ATOM 0 HB2 LEU A 16 -3.292 1.776 13.379 1.00 32.53 H new ATOM 0 HB3 LEU A 16 -3.833 0.264 14.082 1.00 32.53 H new ATOM 0 HG LEU A 16 -1.603 2.024 15.200 1.00 32.45 H new ATOM 0 HD11 LEU A 16 -3.175 2.551 17.034 1.00 22.21 H new ATOM 0 HD12 LEU A 16 -3.774 3.113 15.455 1.00 22.21 H new ATOM 0 HD13 LEU A 16 -4.452 1.642 16.193 1.00 22.21 H new ATOM 0 HD21 LEU A 16 -1.687 0.551 17.188 1.00 44.02 H new ATOM 0 HD22 LEU A 16 -2.858 -0.497 16.353 1.00 44.02 H new ATOM 0 HD23 LEU A 16 -1.203 -0.332 15.721 1.00 44.02 H new ATOM 280 N LEU A 17 -2.772 0.435 10.805 1.00 34.15 N ATOM 281 CA LEU A 17 -3.446 0.087 9.538 1.00 63.21 C ATOM 282 C LEU A 17 -2.596 -0.900 8.733 1.00 22.54 C ATOM 283 O LEU A 17 -3.112 -1.933 8.321 1.00 1.40 O ATOM 284 CB LEU A 17 -3.759 1.360 8.688 1.00 40.53 C ATOM 285 CG LEU A 17 -4.864 2.310 9.256 1.00 24.54 C ATOM 286 CD1 LEU A 17 -5.001 3.590 8.402 1.00 13.51 C ATOM 287 CD2 LEU A 17 -6.216 1.576 9.398 1.00 24.35 C ATOM 0 H LEU A 17 -2.467 1.407 10.848 1.00 34.15 H new ATOM 0 HA LEU A 17 -4.395 -0.388 9.786 1.00 63.21 H new ATOM 0 HB2 LEU A 17 -2.838 1.933 8.576 1.00 40.53 H new ATOM 0 HB3 LEU A 17 -4.060 1.041 7.690 1.00 40.53 H new ATOM 0 HG LEU A 17 -4.552 2.618 10.254 1.00 24.54 H new ATOM 0 HD11 LEU A 17 -5.777 4.228 8.824 1.00 13.51 H new ATOM 0 HD12 LEU A 17 -4.053 4.127 8.397 1.00 13.51 H new ATOM 0 HD13 LEU A 17 -5.270 3.319 7.381 1.00 13.51 H new ATOM 0 HD21 LEU A 17 -6.963 2.263 9.795 1.00 24.35 H new ATOM 0 HD22 LEU A 17 -6.538 1.215 8.421 1.00 24.35 H new ATOM 0 HD23 LEU A 17 -6.102 0.732 10.078 1.00 24.35 H new ATOM 299 N SER A 18 -1.289 -0.582 8.568 1.00 54.12 N ATOM 300 CA SER A 18 -0.336 -1.404 7.788 1.00 12.34 C ATOM 301 C SER A 18 -0.245 -2.830 8.345 1.00 73.33 C ATOM 302 O SER A 18 -0.289 -3.801 7.586 1.00 72.12 O ATOM 303 CB SER A 18 1.063 -0.761 7.792 1.00 25.43 C ATOM 304 OG SER A 18 1.534 -0.543 9.109 1.00 12.34 O ATOM 0 H SER A 18 -0.867 0.253 8.973 1.00 54.12 H new ATOM 0 HA SER A 18 -0.708 -1.453 6.765 1.00 12.34 H new ATOM 0 HB2 SER A 18 1.761 -1.405 7.257 1.00 25.43 H new ATOM 0 HB3 SER A 18 1.029 0.187 7.256 1.00 25.43 H new ATOM 0 HG SER A 18 1.152 0.288 9.460 1.00 12.34 H new ATOM 310 N GLN A 19 -0.120 -2.920 9.680 1.00 70.43 N ATOM 311 CA GLN A 19 -0.052 -4.193 10.411 1.00 13.33 C ATOM 312 C GLN A 19 -1.339 -5.017 10.207 1.00 40.22 C ATOM 313 O GLN A 19 -1.269 -6.220 9.932 1.00 12.12 O ATOM 314 CB GLN A 19 0.192 -3.904 11.912 1.00 72.20 C ATOM 315 CG GLN A 19 0.340 -5.153 12.806 1.00 73.12 C ATOM 316 CD GLN A 19 0.550 -4.835 14.293 1.00 14.54 C ATOM 317 OE1 GLN A 19 -0.039 -3.743 14.779 1.00 75.02 O flip ATOM 318 NE2 GLN A 19 1.221 -5.580 15.009 1.00 44.04 N flip ATOM 0 H GLN A 19 -0.063 -2.102 10.286 1.00 70.43 H new ATOM 0 HA GLN A 19 0.776 -4.786 10.022 1.00 13.33 H new ATOM 0 HB2 GLN A 19 1.094 -3.300 12.007 1.00 72.20 H new ATOM 0 HB3 GLN A 19 -0.635 -3.303 12.289 1.00 72.20 H new ATOM 0 HG2 GLN A 19 -0.551 -5.771 12.700 1.00 73.12 H new ATOM 0 HG3 GLN A 19 1.183 -5.745 12.449 1.00 73.12 H new ATOM 0 HE21 GLN A 19 1.661 -6.410 14.611 1.00 44.04 H new ATOM 0 HE22 GLN A 19 1.336 -5.367 16.000 1.00 44.04 H new ATOM 327 N SER A 20 -2.499 -4.332 10.299 1.00 20.33 N ATOM 328 CA SER A 20 -3.828 -4.953 10.130 1.00 72.33 C ATOM 329 C SER A 20 -3.986 -5.560 8.724 1.00 23.40 C ATOM 330 O SER A 20 -4.271 -6.752 8.584 1.00 21.21 O ATOM 331 CB SER A 20 -4.944 -3.916 10.389 1.00 41.10 C ATOM 332 OG SER A 20 -4.893 -3.418 11.716 1.00 42.33 O ATOM 0 H SER A 20 -2.539 -3.331 10.493 1.00 20.33 H new ATOM 0 HA SER A 20 -3.915 -5.759 10.859 1.00 72.33 H new ATOM 0 HB2 SER A 20 -4.845 -3.090 9.685 1.00 41.10 H new ATOM 0 HB3 SER A 20 -5.917 -4.374 10.208 1.00 41.10 H new ATOM 0 HG SER A 20 -4.185 -2.744 11.786 1.00 42.33 H new ATOM 338 N LEU A 21 -3.749 -4.729 7.689 1.00 14.21 N ATOM 339 CA LEU A 21 -3.939 -5.121 6.285 1.00 64.53 C ATOM 340 C LEU A 21 -2.850 -6.088 5.807 1.00 73.30 C ATOM 341 O LEU A 21 -3.035 -6.759 4.794 1.00 71.11 O ATOM 342 CB LEU A 21 -4.108 -3.870 5.366 1.00 13.24 C ATOM 343 CG LEU A 21 -2.964 -2.797 5.349 1.00 22.43 C ATOM 344 CD1 LEU A 21 -1.747 -3.236 4.538 1.00 60.34 C ATOM 345 CD2 LEU A 21 -3.467 -1.426 4.863 1.00 5.52 C ATOM 0 H LEU A 21 -3.421 -3.770 7.806 1.00 14.21 H new ATOM 0 HA LEU A 21 -4.873 -5.679 6.215 1.00 64.53 H new ATOM 0 HB2 LEU A 21 -4.246 -4.225 4.345 1.00 13.24 H new ATOM 0 HB3 LEU A 21 -5.031 -3.367 5.656 1.00 13.24 H new ATOM 0 HG LEU A 21 -2.643 -2.697 6.386 1.00 22.43 H new ATOM 0 HD11 LEU A 21 -0.990 -2.452 4.564 1.00 60.34 H new ATOM 0 HD12 LEU A 21 -1.336 -4.151 4.965 1.00 60.34 H new ATOM 0 HD13 LEU A 21 -2.045 -3.419 3.505 1.00 60.34 H new ATOM 0 HD21 LEU A 21 -2.642 -0.713 4.867 1.00 5.52 H new ATOM 0 HD22 LEU A 21 -3.860 -1.521 3.851 1.00 5.52 H new ATOM 0 HD23 LEU A 21 -4.256 -1.072 5.527 1.00 5.52 H new ATOM 357 N LEU A 22 -1.711 -6.135 6.527 1.00 5.15 N ATOM 358 CA LEU A 22 -0.664 -7.141 6.286 1.00 33.42 C ATOM 359 C LEU A 22 -1.177 -8.526 6.703 1.00 74.14 C ATOM 360 O LEU A 22 -0.983 -9.502 5.975 1.00 55.45 O ATOM 361 CB LEU A 22 0.634 -6.825 7.061 1.00 52.32 C ATOM 362 CG LEU A 22 1.787 -7.864 6.852 1.00 2.02 C ATOM 363 CD1 LEU A 22 2.267 -7.884 5.386 1.00 41.51 C ATOM 364 CD2 LEU A 22 2.945 -7.621 7.823 1.00 10.12 C ATOM 0 H LEU A 22 -1.495 -5.484 7.282 1.00 5.15 H new ATOM 0 HA LEU A 22 -0.431 -7.125 5.221 1.00 33.42 H new ATOM 0 HB2 LEU A 22 0.991 -5.840 6.760 1.00 52.32 H new ATOM 0 HB3 LEU A 22 0.402 -6.768 8.125 1.00 52.32 H new ATOM 0 HG LEU A 22 1.383 -8.851 7.075 1.00 2.02 H new ATOM 0 HD11 LEU A 22 3.067 -8.616 5.275 1.00 41.51 H new ATOM 0 HD12 LEU A 22 1.436 -8.154 4.735 1.00 41.51 H new ATOM 0 HD13 LEU A 22 2.637 -6.896 5.111 1.00 41.51 H new ATOM 0 HD21 LEU A 22 3.727 -8.360 7.649 1.00 10.12 H new ATOM 0 HD22 LEU A 22 3.349 -6.621 7.664 1.00 10.12 H new ATOM 0 HD23 LEU A 22 2.585 -7.708 8.848 1.00 10.12 H new ATOM 376 N GLU A 23 -1.823 -8.582 7.893 1.00 4.45 N ATOM 377 CA GLU A 23 -2.479 -9.802 8.411 1.00 42.20 C ATOM 378 C GLU A 23 -3.550 -10.293 7.415 1.00 34.55 C ATOM 379 O GLU A 23 -3.680 -11.492 7.171 1.00 5.42 O ATOM 380 CB GLU A 23 -3.100 -9.523 9.809 1.00 34.03 C ATOM 381 CG GLU A 23 -2.057 -9.191 10.901 1.00 2.53 C ATOM 382 CD GLU A 23 -2.685 -8.711 12.218 1.00 15.33 C ATOM 383 OE1 GLU A 23 -3.003 -9.554 13.090 1.00 42.25 O ATOM 384 OE2 GLU A 23 -2.869 -7.485 12.392 1.00 11.53 O ATOM 0 H GLU A 23 -1.903 -7.781 8.519 1.00 4.45 H new ATOM 0 HA GLU A 23 -1.733 -10.589 8.522 1.00 42.20 H new ATOM 0 HB2 GLU A 23 -3.801 -8.693 9.725 1.00 34.03 H new ATOM 0 HB3 GLU A 23 -3.674 -10.395 10.122 1.00 34.03 H new ATOM 0 HG2 GLU A 23 -1.452 -10.077 11.097 1.00 2.53 H new ATOM 0 HG3 GLU A 23 -1.382 -8.421 10.527 1.00 2.53 H new ATOM 391 N LEU A 24 -4.268 -9.324 6.814 1.00 30.32 N ATOM 392 CA LEU A 24 -5.290 -9.583 5.779 1.00 70.34 C ATOM 393 C LEU A 24 -4.642 -10.105 4.474 1.00 13.14 C ATOM 394 O LEU A 24 -5.117 -11.077 3.894 1.00 0.13 O ATOM 395 CB LEU A 24 -6.106 -8.290 5.501 1.00 15.53 C ATOM 396 CG LEU A 24 -6.764 -7.630 6.755 1.00 24.25 C ATOM 397 CD1 LEU A 24 -7.423 -6.286 6.398 1.00 62.33 C ATOM 398 CD2 LEU A 24 -7.752 -8.589 7.454 1.00 41.21 C ATOM 0 H LEU A 24 -4.155 -8.334 7.034 1.00 30.32 H new ATOM 0 HA LEU A 24 -5.964 -10.355 6.149 1.00 70.34 H new ATOM 0 HB2 LEU A 24 -5.448 -7.560 5.030 1.00 15.53 H new ATOM 0 HB3 LEU A 24 -6.890 -8.523 4.781 1.00 15.53 H new ATOM 0 HG LEU A 24 -5.969 -7.421 7.470 1.00 24.25 H new ATOM 0 HD11 LEU A 24 -7.872 -5.852 7.292 1.00 62.33 H new ATOM 0 HD12 LEU A 24 -6.669 -5.605 6.003 1.00 62.33 H new ATOM 0 HD13 LEU A 24 -8.195 -6.448 5.646 1.00 62.33 H new ATOM 0 HD21 LEU A 24 -8.188 -8.093 8.321 1.00 41.21 H new ATOM 0 HD22 LEU A 24 -8.544 -8.867 6.758 1.00 41.21 H new ATOM 0 HD23 LEU A 24 -7.222 -9.485 7.777 1.00 41.21 H new ATOM 410 N ALA A 25 -3.525 -9.469 4.065 1.00 21.31 N ATOM 411 CA ALA A 25 -2.825 -9.777 2.796 1.00 63.30 C ATOM 412 C ALA A 25 -2.212 -11.187 2.821 1.00 64.41 C ATOM 413 O ALA A 25 -2.275 -11.907 1.821 1.00 14.33 O ATOM 414 CB ALA A 25 -1.742 -8.721 2.510 1.00 34.12 C ATOM 0 H ALA A 25 -3.081 -8.726 4.604 1.00 21.31 H new ATOM 0 HA ALA A 25 -3.561 -9.750 1.993 1.00 63.30 H new ATOM 0 HB1 ALA A 25 -1.237 -8.962 1.574 1.00 34.12 H new ATOM 0 HB2 ALA A 25 -2.205 -7.737 2.430 1.00 34.12 H new ATOM 0 HB3 ALA A 25 -1.016 -8.715 3.323 1.00 34.12 H new ATOM 420 N GLN A 26 -1.638 -11.574 3.978 1.00 3.03 N ATOM 421 CA GLN A 26 -1.034 -12.910 4.158 1.00 14.12 C ATOM 422 C GLN A 26 -2.128 -13.977 4.330 1.00 73.41 C ATOM 423 O GLN A 26 -1.927 -15.131 3.948 1.00 53.21 O ATOM 424 CB GLN A 26 -0.036 -12.923 5.348 1.00 74.25 C ATOM 425 CG GLN A 26 -0.665 -12.689 6.739 1.00 72.31 C ATOM 426 CD GLN A 26 0.338 -12.595 7.890 1.00 71.22 C ATOM 427 OE1 GLN A 26 1.508 -12.038 7.635 1.00 75.31 O flip ATOM 428 NE2 GLN A 26 0.046 -12.984 9.023 1.00 3.54 N flip ATOM 0 H GLN A 26 -1.580 -10.978 4.804 1.00 3.03 H new ATOM 0 HA GLN A 26 -0.466 -13.150 3.259 1.00 14.12 H new ATOM 0 HB2 GLN A 26 0.480 -13.883 5.358 1.00 74.25 H new ATOM 0 HB3 GLN A 26 0.720 -12.157 5.176 1.00 74.25 H new ATOM 0 HG2 GLN A 26 -1.248 -11.769 6.708 1.00 72.31 H new ATOM 0 HG3 GLN A 26 -1.362 -13.501 6.948 1.00 72.31 H new ATOM 0 HE21 GLN A 26 -0.864 -13.411 9.197 1.00 3.54 H new ATOM 0 HE22 GLN A 26 0.714 -12.878 9.786 1.00 3.54 H new ATOM 437 N ARG A 27 -3.285 -13.569 4.896 1.00 71.23 N ATOM 438 CA ARG A 27 -4.484 -14.428 5.016 1.00 24.32 C ATOM 439 C ARG A 27 -5.164 -14.652 3.648 1.00 44.13 C ATOM 440 O ARG A 27 -5.906 -15.623 3.477 1.00 71.30 O ATOM 441 CB ARG A 27 -5.506 -13.818 6.041 1.00 30.35 C ATOM 442 CG ARG A 27 -5.711 -14.635 7.334 1.00 15.00 C ATOM 443 CD ARG A 27 -6.176 -16.076 7.041 1.00 4.34 C ATOM 444 NE ARG A 27 -7.418 -16.109 6.236 1.00 24.21 N ATOM 445 CZ ARG A 27 -8.073 -17.219 5.860 1.00 22.14 C ATOM 446 NH1 ARG A 27 -7.634 -18.424 6.206 1.00 11.00 N ATOM 447 NH2 ARG A 27 -9.172 -17.113 5.129 1.00 51.51 N ATOM 0 H ARG A 27 -3.414 -12.634 5.283 1.00 71.23 H new ATOM 0 HA ARG A 27 -4.153 -15.398 5.386 1.00 24.32 H new ATOM 0 HB2 ARG A 27 -5.169 -12.817 6.313 1.00 30.35 H new ATOM 0 HB3 ARG A 27 -6.470 -13.706 5.545 1.00 30.35 H new ATOM 0 HG2 ARG A 27 -4.778 -14.663 7.897 1.00 15.00 H new ATOM 0 HG3 ARG A 27 -6.448 -14.137 7.964 1.00 15.00 H new ATOM 0 HD2 ARG A 27 -5.387 -16.610 6.511 1.00 4.34 H new ATOM 0 HD3 ARG A 27 -6.340 -16.601 7.982 1.00 4.34 H new ATOM 0 HE ARG A 27 -7.809 -15.214 5.943 1.00 24.21 H new ATOM 0 HH11 ARG A 27 -6.787 -18.517 6.766 1.00 11.00 H new ATOM 0 HH12 ARG A 27 -8.144 -19.257 5.912 1.00 11.00 H new ATOM 0 HH21 ARG A 27 -9.516 -16.192 4.855 1.00 51.51 H new ATOM 0 HH22 ARG A 27 -9.675 -17.952 4.840 1.00 51.51 H new ATOM 461 N GLY A 28 -4.920 -13.735 2.697 1.00 12.42 N ATOM 462 CA GLY A 28 -5.558 -13.782 1.377 1.00 22.12 C ATOM 463 C GLY A 28 -6.879 -13.028 1.332 1.00 60.11 C ATOM 464 O GLY A 28 -7.627 -13.150 0.357 1.00 51.43 O ATOM 0 H GLY A 28 -4.282 -12.949 2.822 1.00 12.42 H new ATOM 0 HA2 GLY A 28 -4.879 -13.361 0.636 1.00 22.12 H new ATOM 0 HA3 GLY A 28 -5.729 -14.822 1.098 1.00 22.12 H new ATOM 468 N GLU A 29 -7.166 -12.259 2.399 1.00 41.23 N ATOM 469 CA GLU A 29 -8.351 -11.393 2.486 1.00 45.23 C ATOM 470 C GLU A 29 -8.130 -10.144 1.618 1.00 24.13 C ATOM 471 O GLU A 29 -7.701 -9.099 2.123 1.00 54.43 O ATOM 472 CB GLU A 29 -8.632 -10.969 3.961 1.00 22.41 C ATOM 473 CG GLU A 29 -8.598 -12.100 5.003 1.00 42.53 C ATOM 474 CD GLU A 29 -9.500 -13.289 4.650 1.00 31.22 C ATOM 475 OE1 GLU A 29 -10.739 -13.143 4.713 1.00 60.42 O ATOM 476 OE2 GLU A 29 -8.974 -14.365 4.299 1.00 3.31 O ATOM 0 H GLU A 29 -6.576 -12.223 3.230 1.00 41.23 H new ATOM 0 HA GLU A 29 -9.216 -11.950 2.125 1.00 45.23 H new ATOM 0 HB2 GLU A 29 -7.899 -10.215 4.248 1.00 22.41 H new ATOM 0 HB3 GLU A 29 -9.612 -10.493 4.002 1.00 22.41 H new ATOM 0 HG2 GLU A 29 -7.572 -12.453 5.111 1.00 42.53 H new ATOM 0 HG3 GLU A 29 -8.901 -11.700 5.971 1.00 42.53 H new ATOM 483 N TRP A 30 -8.375 -10.280 0.303 1.00 52.00 N ATOM 484 CA TRP A 30 -8.166 -9.189 -0.664 1.00 63.11 C ATOM 485 C TRP A 30 -9.210 -8.096 -0.468 1.00 65.11 C ATOM 486 O TRP A 30 -8.863 -6.932 -0.432 1.00 13.33 O ATOM 487 CB TRP A 30 -8.180 -9.708 -2.125 1.00 70.25 C ATOM 488 CG TRP A 30 -7.223 -10.860 -2.390 1.00 50.30 C ATOM 489 CD1 TRP A 30 -7.483 -11.984 -3.130 1.00 11.13 C ATOM 490 CD2 TRP A 30 -5.866 -11.014 -1.904 1.00 65.41 C ATOM 491 NE1 TRP A 30 -6.394 -12.811 -3.134 1.00 13.31 N ATOM 492 CE2 TRP A 30 -5.395 -12.247 -2.390 1.00 13.14 C ATOM 493 CE3 TRP A 30 -5.004 -10.237 -1.105 1.00 30.03 C ATOM 494 CZ2 TRP A 30 -4.124 -12.719 -2.103 1.00 61.00 C ATOM 495 CZ3 TRP A 30 -3.741 -10.706 -0.831 1.00 70.45 C ATOM 496 CH2 TRP A 30 -3.310 -11.939 -1.327 1.00 51.03 C ATOM 0 H TRP A 30 -8.721 -11.143 -0.117 1.00 52.00 H new ATOM 0 HA TRP A 30 -7.179 -8.766 -0.478 1.00 63.11 H new ATOM 0 HB2 TRP A 30 -9.192 -10.027 -2.375 1.00 70.25 H new ATOM 0 HB3 TRP A 30 -7.931 -8.884 -2.793 1.00 70.25 H new ATOM 0 HD1 TRP A 30 -8.415 -12.187 -3.637 1.00 11.13 H new ATOM 0 HE1 TRP A 30 -6.336 -13.708 -3.616 1.00 13.31 H new ATOM 0 HE3 TRP A 30 -5.331 -9.285 -0.713 1.00 30.03 H new ATOM 0 HZ2 TRP A 30 -3.786 -13.673 -2.480 1.00 61.00 H new ATOM 0 HZ3 TRP A 30 -3.073 -10.113 -0.224 1.00 70.45 H new ATOM 0 HH2 TRP A 30 -2.314 -12.284 -1.093 1.00 51.03 H new ATOM 507 N ASP A 31 -10.478 -8.508 -0.292 1.00 32.33 N ATOM 508 CA ASP A 31 -11.620 -7.594 -0.062 1.00 53.43 C ATOM 509 C ASP A 31 -11.348 -6.639 1.117 1.00 54.31 C ATOM 510 O ASP A 31 -11.490 -5.414 0.994 1.00 43.22 O ATOM 511 CB ASP A 31 -12.905 -8.420 0.212 1.00 43.50 C ATOM 512 CG ASP A 31 -13.352 -9.242 -1.006 1.00 70.24 C ATOM 513 OD1 ASP A 31 -12.761 -10.317 -1.265 1.00 4.24 O ATOM 514 OD2 ASP A 31 -14.283 -8.819 -1.715 1.00 25.05 O ATOM 0 H ASP A 31 -10.745 -9.492 -0.305 1.00 32.33 H new ATOM 0 HA ASP A 31 -11.757 -6.989 -0.959 1.00 53.43 H new ATOM 0 HB2 ASP A 31 -12.728 -9.091 1.053 1.00 43.50 H new ATOM 0 HB3 ASP A 31 -13.710 -7.746 0.505 1.00 43.50 H new ATOM 519 N LEU A 32 -10.898 -7.228 2.238 1.00 4.31 N ATOM 520 CA LEU A 32 -10.588 -6.493 3.474 1.00 20.12 C ATOM 521 C LEU A 32 -9.357 -5.583 3.272 1.00 44.12 C ATOM 522 O LEU A 32 -9.332 -4.453 3.757 1.00 31.33 O ATOM 523 CB LEU A 32 -10.369 -7.490 4.639 1.00 30.03 C ATOM 524 CG LEU A 32 -11.566 -8.445 4.961 1.00 43.41 C ATOM 525 CD1 LEU A 32 -11.246 -9.340 6.175 1.00 41.33 C ATOM 526 CD2 LEU A 32 -12.881 -7.662 5.175 1.00 23.24 C ATOM 0 H LEU A 32 -10.739 -8.233 2.311 1.00 4.31 H new ATOM 0 HA LEU A 32 -11.432 -5.851 3.728 1.00 20.12 H new ATOM 0 HB2 LEU A 32 -9.495 -8.100 4.409 1.00 30.03 H new ATOM 0 HB3 LEU A 32 -10.133 -6.921 5.538 1.00 30.03 H new ATOM 0 HG LEU A 32 -11.712 -9.090 4.095 1.00 43.41 H new ATOM 0 HD11 LEU A 32 -12.094 -9.994 6.378 1.00 41.33 H new ATOM 0 HD12 LEU A 32 -10.365 -9.944 5.959 1.00 41.33 H new ATOM 0 HD13 LEU A 32 -11.053 -8.715 7.047 1.00 41.33 H new ATOM 0 HD21 LEU A 32 -13.688 -8.360 5.396 1.00 23.24 H new ATOM 0 HD22 LEU A 32 -12.761 -6.970 6.009 1.00 23.24 H new ATOM 0 HD23 LEU A 32 -13.123 -7.103 4.271 1.00 23.24 H new ATOM 538 N LEU A 33 -8.368 -6.093 2.510 1.00 41.44 N ATOM 539 CA LEU A 33 -7.143 -5.352 2.121 1.00 54.31 C ATOM 540 C LEU A 33 -7.495 -4.091 1.281 1.00 24.52 C ATOM 541 O LEU A 33 -6.881 -3.036 1.448 1.00 42.34 O ATOM 542 CB LEU A 33 -6.211 -6.305 1.315 1.00 71.45 C ATOM 543 CG LEU A 33 -4.855 -5.715 0.803 1.00 31.32 C ATOM 544 CD1 LEU A 33 -3.911 -5.370 1.968 1.00 20.44 C ATOM 545 CD2 LEU A 33 -4.176 -6.665 -0.206 1.00 10.12 C ATOM 0 H LEU A 33 -8.395 -7.043 2.141 1.00 41.44 H new ATOM 0 HA LEU A 33 -6.630 -5.012 3.021 1.00 54.31 H new ATOM 0 HB2 LEU A 33 -5.988 -7.169 1.941 1.00 71.45 H new ATOM 0 HB3 LEU A 33 -6.767 -6.671 0.452 1.00 71.45 H new ATOM 0 HG LEU A 33 -5.081 -4.785 0.282 1.00 31.32 H new ATOM 0 HD11 LEU A 33 -2.980 -4.963 1.574 1.00 20.44 H new ATOM 0 HD12 LEU A 33 -4.385 -4.631 2.614 1.00 20.44 H new ATOM 0 HD13 LEU A 33 -3.698 -6.271 2.543 1.00 20.44 H new ATOM 0 HD21 LEU A 33 -3.237 -6.227 -0.543 1.00 10.12 H new ATOM 0 HD22 LEU A 33 -3.978 -7.624 0.273 1.00 10.12 H new ATOM 0 HD23 LEU A 33 -4.833 -6.817 -1.062 1.00 10.12 H new ATOM 557 N LEU A 34 -8.519 -4.230 0.406 1.00 42.51 N ATOM 558 CA LEU A 34 -8.988 -3.158 -0.507 1.00 43.01 C ATOM 559 C LEU A 34 -9.738 -2.063 0.258 1.00 34.31 C ATOM 560 O LEU A 34 -9.683 -0.886 -0.115 1.00 23.40 O ATOM 561 CB LEU A 34 -9.906 -3.763 -1.598 1.00 30.11 C ATOM 562 CG LEU A 34 -9.217 -4.784 -2.548 1.00 13.20 C ATOM 563 CD1 LEU A 34 -10.236 -5.520 -3.436 1.00 41.42 C ATOM 564 CD2 LEU A 34 -8.116 -4.107 -3.372 1.00 61.34 C ATOM 0 H LEU A 34 -9.048 -5.097 0.312 1.00 42.51 H new ATOM 0 HA LEU A 34 -8.114 -2.704 -0.975 1.00 43.01 H new ATOM 0 HB2 LEU A 34 -10.748 -4.255 -1.111 1.00 30.11 H new ATOM 0 HB3 LEU A 34 -10.315 -2.950 -2.198 1.00 30.11 H new ATOM 0 HG LEU A 34 -8.742 -5.545 -1.929 1.00 13.20 H new ATOM 0 HD11 LEU A 34 -9.713 -6.223 -4.084 1.00 41.42 H new ATOM 0 HD12 LEU A 34 -10.942 -6.062 -2.807 1.00 41.42 H new ATOM 0 HD13 LEU A 34 -10.776 -4.796 -4.047 1.00 41.42 H new ATOM 0 HD21 LEU A 34 -7.649 -4.841 -4.028 1.00 61.34 H new ATOM 0 HD22 LEU A 34 -8.550 -3.308 -3.972 1.00 61.34 H new ATOM 0 HD23 LEU A 34 -7.364 -3.690 -2.702 1.00 61.34 H new ATOM 576 N GLN A 35 -10.452 -2.473 1.318 1.00 5.11 N ATOM 577 CA GLN A 35 -11.116 -1.543 2.244 1.00 62.04 C ATOM 578 C GLN A 35 -10.067 -0.647 2.928 1.00 61.43 C ATOM 579 O GLN A 35 -10.259 0.563 3.091 1.00 3.44 O ATOM 580 CB GLN A 35 -11.914 -2.337 3.309 1.00 71.30 C ATOM 581 CG GLN A 35 -12.725 -1.458 4.290 1.00 33.14 C ATOM 582 CD GLN A 35 -13.839 -0.647 3.620 1.00 23.31 C ATOM 583 OE1 GLN A 35 -14.135 0.473 4.034 1.00 34.20 O ATOM 584 NE2 GLN A 35 -14.506 -1.216 2.620 1.00 34.43 N ATOM 0 H GLN A 35 -10.585 -3.456 1.557 1.00 5.11 H new ATOM 0 HA GLN A 35 -11.807 -0.914 1.683 1.00 62.04 H new ATOM 0 HB2 GLN A 35 -12.597 -3.017 2.800 1.00 71.30 H new ATOM 0 HB3 GLN A 35 -11.219 -2.952 3.881 1.00 71.30 H new ATOM 0 HG2 GLN A 35 -13.164 -2.096 5.057 1.00 33.14 H new ATOM 0 HG3 GLN A 35 -12.045 -0.773 4.797 1.00 33.14 H new ATOM 0 HE21 GLN A 35 -14.242 -2.146 2.294 1.00 34.43 H new ATOM 0 HE22 GLN A 35 -15.282 -0.723 2.179 1.00 34.43 H new ATOM 593 N GLN A 36 -8.942 -1.281 3.285 1.00 44.13 N ATOM 594 CA GLN A 36 -7.832 -0.641 3.995 1.00 72.32 C ATOM 595 C GLN A 36 -6.900 0.123 3.029 1.00 32.33 C ATOM 596 O GLN A 36 -6.148 0.982 3.472 1.00 3.34 O ATOM 597 CB GLN A 36 -7.031 -1.717 4.768 1.00 2.35 C ATOM 598 CG GLN A 36 -7.835 -2.514 5.819 1.00 62.22 C ATOM 599 CD GLN A 36 -8.341 -1.678 6.996 1.00 23.42 C ATOM 600 OE1 GLN A 36 -7.718 -0.695 7.401 1.00 34.34 O ATOM 601 NE2 GLN A 36 -9.464 -2.076 7.572 1.00 54.12 N ATOM 0 H GLN A 36 -8.777 -2.267 3.085 1.00 44.13 H new ATOM 0 HA GLN A 36 -8.247 0.087 4.693 1.00 72.32 H new ATOM 0 HB2 GLN A 36 -6.610 -2.419 4.048 1.00 2.35 H new ATOM 0 HB3 GLN A 36 -6.193 -1.232 5.268 1.00 2.35 H new ATOM 0 HG2 GLN A 36 -8.688 -2.981 5.328 1.00 62.22 H new ATOM 0 HG3 GLN A 36 -7.209 -3.319 6.204 1.00 62.22 H new ATOM 0 HE21 GLN A 36 -9.958 -2.894 7.215 1.00 54.12 H new ATOM 0 HE22 GLN A 36 -9.835 -1.565 8.373 1.00 54.12 H new ATOM 610 N GLU A 37 -6.960 -0.213 1.719 1.00 31.45 N ATOM 611 CA GLU A 37 -6.132 0.414 0.658 1.00 1.12 C ATOM 612 C GLU A 37 -6.269 1.950 0.673 1.00 2.23 C ATOM 613 O GLU A 37 -5.300 2.669 0.929 1.00 1.10 O ATOM 614 CB GLU A 37 -6.558 -0.130 -0.739 1.00 25.52 C ATOM 615 CG GLU A 37 -5.803 0.486 -1.943 1.00 42.15 C ATOM 616 CD GLU A 37 -6.419 0.118 -3.304 1.00 75.43 C ATOM 617 OE1 GLU A 37 -6.482 -1.084 -3.637 1.00 24.41 O ATOM 618 OE2 GLU A 37 -6.866 1.034 -4.039 1.00 73.34 O ATOM 0 H GLU A 37 -7.589 -0.933 1.364 1.00 31.45 H new ATOM 0 HA GLU A 37 -5.090 0.160 0.853 1.00 1.12 H new ATOM 0 HB2 GLU A 37 -6.410 -1.210 -0.751 1.00 25.52 H new ATOM 0 HB3 GLU A 37 -7.625 0.047 -0.870 1.00 25.52 H new ATOM 0 HG2 GLU A 37 -5.792 1.571 -1.839 1.00 42.15 H new ATOM 0 HG3 GLU A 37 -4.765 0.153 -1.920 1.00 42.15 H new ATOM 625 N VAL A 38 -7.509 2.413 0.432 1.00 2.02 N ATOM 626 CA VAL A 38 -7.834 3.841 0.276 1.00 53.33 C ATOM 627 C VAL A 38 -7.513 4.651 1.551 1.00 3.12 C ATOM 628 O VAL A 38 -6.947 5.745 1.461 1.00 72.41 O ATOM 629 CB VAL A 38 -9.342 4.040 -0.137 1.00 40.10 C ATOM 630 CG1 VAL A 38 -9.612 3.467 -1.547 1.00 71.51 C ATOM 631 CG2 VAL A 38 -10.311 3.419 0.902 1.00 75.14 C ATOM 0 H VAL A 38 -8.320 1.801 0.339 1.00 2.02 H new ATOM 0 HA VAL A 38 -7.202 4.223 -0.526 1.00 53.33 H new ATOM 0 HB VAL A 38 -9.530 5.113 -0.161 1.00 40.10 H new ATOM 0 HG11 VAL A 38 -10.660 3.618 -1.806 1.00 71.51 H new ATOM 0 HG12 VAL A 38 -8.981 3.978 -2.274 1.00 71.51 H new ATOM 0 HG13 VAL A 38 -9.386 2.401 -1.556 1.00 71.51 H new ATOM 0 HG21 VAL A 38 -11.340 3.578 0.580 1.00 75.14 H new ATOM 0 HG22 VAL A 38 -10.118 2.350 0.986 1.00 75.14 H new ATOM 0 HG23 VAL A 38 -10.157 3.893 1.872 1.00 75.14 H new ATOM 641 N SER A 39 -7.831 4.072 2.723 1.00 35.13 N ATOM 642 CA SER A 39 -7.685 4.738 4.022 1.00 13.42 C ATOM 643 C SER A 39 -6.199 4.905 4.383 1.00 71.43 C ATOM 644 O SER A 39 -5.743 6.015 4.652 1.00 35.21 O ATOM 645 CB SER A 39 -8.436 3.928 5.103 1.00 44.55 C ATOM 646 OG SER A 39 -8.046 2.566 5.089 1.00 22.14 O ATOM 0 H SER A 39 -8.198 3.123 2.792 1.00 35.13 H new ATOM 0 HA SER A 39 -8.121 5.735 3.966 1.00 13.42 H new ATOM 0 HB2 SER A 39 -8.236 4.356 6.085 1.00 44.55 H new ATOM 0 HB3 SER A 39 -9.510 4.003 4.936 1.00 44.55 H new ATOM 0 HG SER A 39 -8.536 2.078 5.784 1.00 22.14 H new ATOM 652 N TYR A 40 -5.462 3.789 4.324 1.00 41.42 N ATOM 653 CA TYR A 40 -4.036 3.708 4.701 1.00 34.12 C ATOM 654 C TYR A 40 -3.161 4.640 3.846 1.00 52.13 C ATOM 655 O TYR A 40 -2.376 5.432 4.390 1.00 71.12 O ATOM 656 CB TYR A 40 -3.576 2.236 4.574 1.00 13.41 C ATOM 657 CG TYR A 40 -2.070 1.990 4.696 1.00 64.10 C ATOM 658 CD1 TYR A 40 -1.379 2.307 5.866 1.00 65.43 C ATOM 659 CD2 TYR A 40 -1.344 1.418 3.643 1.00 50.24 C ATOM 660 CE1 TYR A 40 -0.030 2.067 5.974 1.00 32.21 C ATOM 661 CE2 TYR A 40 0.005 1.178 3.754 1.00 24.11 C ATOM 662 CZ TYR A 40 0.659 1.501 4.919 1.00 32.05 C ATOM 663 OH TYR A 40 2.006 1.258 5.031 1.00 31.31 O ATOM 0 H TYR A 40 -5.843 2.897 4.007 1.00 41.42 H new ATOM 0 HA TYR A 40 -3.922 4.043 5.732 1.00 34.12 H new ATOM 0 HB2 TYR A 40 -4.083 1.650 5.341 1.00 13.41 H new ATOM 0 HB3 TYR A 40 -3.909 1.854 3.609 1.00 13.41 H new ATOM 0 HD1 TYR A 40 -1.911 2.746 6.697 1.00 65.43 H new ATOM 0 HD2 TYR A 40 -1.854 1.161 2.726 1.00 50.24 H new ATOM 0 HE1 TYR A 40 0.492 2.321 6.885 1.00 32.21 H new ATOM 0 HE2 TYR A 40 0.548 0.738 2.930 1.00 24.11 H new ATOM 0 HH TYR A 40 2.260 1.251 5.978 1.00 31.31 H new ATOM 673 N LEU A 41 -3.317 4.541 2.515 1.00 12.30 N ATOM 674 CA LEU A 41 -2.562 5.373 1.571 1.00 44.32 C ATOM 675 C LEU A 41 -2.889 6.867 1.787 1.00 4.23 C ATOM 676 O LEU A 41 -1.975 7.686 1.835 1.00 74.51 O ATOM 677 CB LEU A 41 -2.836 4.918 0.113 1.00 43.45 C ATOM 678 CG LEU A 41 -2.344 3.469 -0.239 1.00 40.14 C ATOM 679 CD1 LEU A 41 -2.770 3.058 -1.662 1.00 11.02 C ATOM 680 CD2 LEU A 41 -0.812 3.337 -0.048 1.00 71.15 C ATOM 0 H LEU A 41 -3.963 3.889 2.070 1.00 12.30 H new ATOM 0 HA LEU A 41 -1.495 5.246 1.756 1.00 44.32 H new ATOM 0 HB2 LEU A 41 -3.908 4.975 -0.073 1.00 43.45 H new ATOM 0 HB3 LEU A 41 -2.356 5.622 -0.567 1.00 43.45 H new ATOM 0 HG LEU A 41 -2.825 2.780 0.456 1.00 40.14 H new ATOM 0 HD11 LEU A 41 -2.413 2.050 -1.872 1.00 11.02 H new ATOM 0 HD12 LEU A 41 -3.857 3.081 -1.737 1.00 11.02 H new ATOM 0 HD13 LEU A 41 -2.342 3.752 -2.385 1.00 11.02 H new ATOM 0 HD21 LEU A 41 -0.500 2.323 -0.299 1.00 71.15 H new ATOM 0 HD22 LEU A 41 -0.302 4.046 -0.700 1.00 71.15 H new ATOM 0 HD23 LEU A 41 -0.555 3.549 0.990 1.00 71.15 H new ATOM 692 N GLN A 42 -4.193 7.186 1.992 1.00 4.41 N ATOM 693 CA GLN A 42 -4.656 8.567 2.290 1.00 63.01 C ATOM 694 C GLN A 42 -4.014 9.109 3.585 1.00 52.11 C ATOM 695 O GLN A 42 -3.684 10.299 3.672 1.00 35.22 O ATOM 696 CB GLN A 42 -6.198 8.603 2.417 1.00 2.42 C ATOM 697 CG GLN A 42 -6.803 9.993 2.727 1.00 73.10 C ATOM 698 CD GLN A 42 -8.328 9.995 2.871 1.00 11.21 C ATOM 699 OE1 GLN A 42 -8.887 10.781 3.640 1.00 32.12 O ATOM 700 NE2 GLN A 42 -9.021 9.148 2.115 1.00 21.53 N ATOM 0 H GLN A 42 -4.947 6.500 1.956 1.00 4.41 H new ATOM 0 HA GLN A 42 -4.347 9.204 1.462 1.00 63.01 H new ATOM 0 HB2 GLN A 42 -6.631 8.235 1.487 1.00 2.42 H new ATOM 0 HB3 GLN A 42 -6.498 7.911 3.204 1.00 2.42 H new ATOM 0 HG2 GLN A 42 -6.362 10.372 3.649 1.00 73.10 H new ATOM 0 HG3 GLN A 42 -6.523 10.684 1.932 1.00 73.10 H new ATOM 0 HE21 GLN A 42 -8.534 8.508 1.487 1.00 21.53 H new ATOM 0 HE22 GLN A 42 -10.040 9.138 2.163 1.00 21.53 H new ATOM 709 N SER A 43 -3.835 8.209 4.578 1.00 54.11 N ATOM 710 CA SER A 43 -3.192 8.539 5.865 1.00 42.11 C ATOM 711 C SER A 43 -1.729 8.968 5.640 1.00 14.24 C ATOM 712 O SER A 43 -1.220 9.886 6.302 1.00 14.03 O ATOM 713 CB SER A 43 -3.255 7.333 6.828 1.00 10.32 C ATOM 714 OG SER A 43 -4.587 6.918 7.062 1.00 61.15 O ATOM 0 H SER A 43 -4.132 7.236 4.508 1.00 54.11 H new ATOM 0 HA SER A 43 -3.733 9.370 6.317 1.00 42.11 H new ATOM 0 HB2 SER A 43 -2.684 6.504 6.410 1.00 10.32 H new ATOM 0 HB3 SER A 43 -2.785 7.599 7.775 1.00 10.32 H new ATOM 0 HG SER A 43 -4.985 6.607 6.222 1.00 61.15 H new ATOM 720 N ILE A 44 -1.068 8.299 4.682 1.00 51.40 N ATOM 721 CA ILE A 44 0.311 8.629 4.300 1.00 51.32 C ATOM 722 C ILE A 44 0.362 9.971 3.510 1.00 41.55 C ATOM 723 O ILE A 44 1.276 10.777 3.716 1.00 73.05 O ATOM 724 CB ILE A 44 0.988 7.469 3.489 1.00 32.50 C ATOM 725 CG1 ILE A 44 0.835 6.106 4.251 1.00 15.32 C ATOM 726 CG2 ILE A 44 2.480 7.797 3.237 1.00 23.10 C ATOM 727 CD1 ILE A 44 1.338 4.881 3.501 1.00 50.03 C ATOM 0 H ILE A 44 -1.470 7.523 4.157 1.00 51.40 H new ATOM 0 HA ILE A 44 0.883 8.753 5.220 1.00 51.32 H new ATOM 0 HB ILE A 44 0.489 7.374 2.525 1.00 32.50 H new ATOM 0 HG12 ILE A 44 1.370 6.176 5.198 1.00 15.32 H new ATOM 0 HG13 ILE A 44 -0.218 5.958 4.490 1.00 15.32 H new ATOM 0 HG21 ILE A 44 2.941 6.986 2.673 1.00 23.10 H new ATOM 0 HG22 ILE A 44 2.558 8.724 2.668 1.00 23.10 H new ATOM 0 HG23 ILE A 44 2.993 7.913 4.192 1.00 23.10 H new ATOM 0 HD11 ILE A 44 1.187 3.992 4.113 1.00 50.03 H new ATOM 0 HD12 ILE A 44 0.788 4.776 2.566 1.00 50.03 H new ATOM 0 HD13 ILE A 44 2.400 4.997 3.286 1.00 50.03 H new ATOM 739 N GLU A 45 -0.640 10.220 2.637 1.00 71.41 N ATOM 740 CA GLU A 45 -0.772 11.511 1.915 1.00 51.11 C ATOM 741 C GLU A 45 -0.876 12.695 2.900 1.00 64.43 C ATOM 742 O GLU A 45 -0.226 13.728 2.702 1.00 62.20 O ATOM 743 CB GLU A 45 -2.005 11.519 0.946 1.00 33.45 C ATOM 744 CG GLU A 45 -1.730 11.031 -0.494 1.00 65.12 C ATOM 745 CD GLU A 45 -1.607 9.503 -0.662 1.00 75.35 C ATOM 746 OE1 GLU A 45 -2.657 8.841 -0.840 1.00 62.13 O ATOM 747 OE2 GLU A 45 -0.472 8.957 -0.668 1.00 22.23 O ATOM 0 H GLU A 45 -1.371 9.545 2.414 1.00 71.41 H new ATOM 0 HA GLU A 45 0.132 11.626 1.317 1.00 51.11 H new ATOM 0 HB2 GLU A 45 -2.787 10.895 1.378 1.00 33.45 H new ATOM 0 HB3 GLU A 45 -2.398 12.534 0.897 1.00 33.45 H new ATOM 0 HG2 GLU A 45 -2.533 11.387 -1.140 1.00 65.12 H new ATOM 0 HG3 GLU A 45 -0.808 11.494 -0.847 1.00 65.12 H new ATOM 754 N THR A 46 -1.684 12.525 3.964 1.00 4.40 N ATOM 755 CA THR A 46 -1.965 13.610 4.913 1.00 23.00 C ATOM 756 C THR A 46 -0.794 13.815 5.906 1.00 14.24 C ATOM 757 O THR A 46 -0.604 14.929 6.408 1.00 12.23 O ATOM 758 CB THR A 46 -3.336 13.409 5.646 1.00 61.02 C ATOM 759 OG1 THR A 46 -3.674 14.594 6.377 1.00 51.32 O ATOM 760 CG2 THR A 46 -3.351 12.207 6.604 1.00 74.35 C ATOM 0 H THR A 46 -2.152 11.646 4.185 1.00 4.40 H new ATOM 0 HA THR A 46 -2.056 14.529 4.334 1.00 23.00 H new ATOM 0 HB THR A 46 -4.071 13.206 4.867 1.00 61.02 H new ATOM 0 HG1 THR A 46 -4.532 14.464 6.832 1.00 51.32 H new ATOM 0 HG21 THR A 46 -4.331 12.130 7.075 1.00 74.35 H new ATOM 0 HG22 THR A 46 -3.144 11.294 6.046 1.00 74.35 H new ATOM 0 HG23 THR A 46 -2.589 12.344 7.371 1.00 74.35 H new ATOM 768 N VAL A 47 0.023 12.763 6.173 1.00 62.22 N ATOM 769 CA VAL A 47 1.279 12.952 6.951 1.00 63.50 C ATOM 770 C VAL A 47 2.401 13.550 6.073 1.00 72.12 C ATOM 771 O VAL A 47 3.394 14.055 6.603 1.00 3.00 O ATOM 772 CB VAL A 47 1.811 11.662 7.674 1.00 32.51 C ATOM 773 CG1 VAL A 47 0.775 11.111 8.672 1.00 52.23 C ATOM 774 CG2 VAL A 47 2.268 10.592 6.669 1.00 41.21 C ATOM 0 H VAL A 47 -0.155 11.804 5.873 1.00 62.22 H new ATOM 0 HA VAL A 47 1.002 13.653 7.739 1.00 63.50 H new ATOM 0 HB VAL A 47 2.692 11.949 8.249 1.00 32.51 H new ATOM 0 HG11 VAL A 47 1.174 10.219 9.155 1.00 52.23 H new ATOM 0 HG12 VAL A 47 0.559 11.867 9.427 1.00 52.23 H new ATOM 0 HG13 VAL A 47 -0.142 10.857 8.141 1.00 52.23 H new ATOM 0 HG21 VAL A 47 2.629 9.716 7.209 1.00 41.21 H new ATOM 0 HG22 VAL A 47 1.429 10.307 6.034 1.00 41.21 H new ATOM 0 HG23 VAL A 47 3.071 10.993 6.050 1.00 41.21 H new ATOM 784 N MET A 48 2.259 13.456 4.743 1.00 24.44 N ATOM 785 CA MET A 48 3.159 14.143 3.791 1.00 3.44 C ATOM 786 C MET A 48 2.688 15.573 3.522 1.00 32.22 C ATOM 787 O MET A 48 3.484 16.410 3.095 1.00 42.11 O ATOM 788 CB MET A 48 3.264 13.344 2.473 1.00 74.13 C ATOM 789 CG MET A 48 4.025 12.021 2.600 1.00 71.11 C ATOM 790 SD MET A 48 5.761 12.227 3.103 1.00 2.52 S ATOM 791 CE MET A 48 5.742 11.799 4.852 1.00 34.23 C ATOM 0 H MET A 48 1.525 12.908 4.295 1.00 24.44 H new ATOM 0 HA MET A 48 4.150 14.197 4.241 1.00 3.44 H new ATOM 0 HB2 MET A 48 2.259 13.138 2.105 1.00 74.13 H new ATOM 0 HB3 MET A 48 3.757 13.963 1.724 1.00 74.13 H new ATOM 0 HG2 MET A 48 3.517 11.387 3.327 1.00 71.11 H new ATOM 0 HG3 MET A 48 3.992 11.499 1.644 1.00 71.11 H new ATOM 0 HE1 MET A 48 6.688 12.091 5.308 1.00 34.23 H new ATOM 0 HE2 MET A 48 4.924 12.323 5.346 1.00 34.23 H new ATOM 0 HE3 MET A 48 5.603 10.724 4.962 1.00 34.23 H new ATOM 801 N GLU A 49 1.396 15.848 3.777 1.00 22.01 N ATOM 802 CA GLU A 49 0.826 17.206 3.657 1.00 32.02 C ATOM 803 C GLU A 49 1.310 18.096 4.830 1.00 13.15 C ATOM 804 O GLU A 49 1.492 19.311 4.670 1.00 33.13 O ATOM 805 CB GLU A 49 -0.727 17.120 3.603 1.00 55.23 C ATOM 806 CG GLU A 49 -1.465 18.477 3.474 1.00 53.34 C ATOM 807 CD GLU A 49 -1.069 19.301 2.229 1.00 43.44 C ATOM 808 OE1 GLU A 49 -1.370 18.868 1.096 1.00 44.15 O ATOM 809 OE2 GLU A 49 -0.483 20.400 2.380 1.00 41.23 O ATOM 0 H GLU A 49 0.720 15.142 4.070 1.00 22.01 H new ATOM 0 HA GLU A 49 1.171 17.667 2.732 1.00 32.02 H new ATOM 0 HB2 GLU A 49 -1.010 16.491 2.759 1.00 55.23 H new ATOM 0 HB3 GLU A 49 -1.078 16.620 4.506 1.00 55.23 H new ATOM 0 HG2 GLU A 49 -2.539 18.292 3.446 1.00 53.34 H new ATOM 0 HG3 GLU A 49 -1.267 19.071 4.366 1.00 53.34 H new ATOM 816 N LYS A 50 1.539 17.470 6.009 1.00 51.44 N ATOM 817 CA LYS A 50 2.167 18.151 7.171 1.00 12.43 C ATOM 818 C LYS A 50 3.700 18.091 7.074 1.00 13.31 C ATOM 819 O LYS A 50 4.396 18.881 7.729 1.00 24.15 O ATOM 820 CB LYS A 50 1.736 17.512 8.528 1.00 3.44 C ATOM 821 CG LYS A 50 2.203 16.046 8.717 1.00 70.21 C ATOM 822 CD LYS A 50 2.319 15.604 10.192 1.00 43.14 C ATOM 823 CE LYS A 50 2.781 14.140 10.313 1.00 52.12 C ATOM 824 NZ LYS A 50 4.079 13.885 9.620 1.00 43.34 N ATOM 0 H LYS A 50 1.299 16.494 6.182 1.00 51.44 H new ATOM 0 HA LYS A 50 1.826 19.186 7.143 1.00 12.43 H new ATOM 0 HB2 LYS A 50 2.133 18.116 9.344 1.00 3.44 H new ATOM 0 HB3 LYS A 50 0.649 17.548 8.605 1.00 3.44 H new ATOM 0 HG2 LYS A 50 1.504 15.385 8.205 1.00 70.21 H new ATOM 0 HG3 LYS A 50 3.172 15.920 8.234 1.00 70.21 H new ATOM 0 HD2 LYS A 50 3.024 16.252 10.712 1.00 43.14 H new ATOM 0 HD3 LYS A 50 1.354 15.723 10.685 1.00 43.14 H new ATOM 0 HE2 LYS A 50 2.880 13.881 11.367 1.00 52.12 H new ATOM 0 HE3 LYS A 50 2.016 13.486 9.894 1.00 52.12 H new ATOM 0 HZ1 LYS A 50 4.418 12.931 9.859 1.00 43.34 H new ATOM 0 HZ2 LYS A 50 3.943 13.957 8.591 1.00 43.34 H new ATOM 0 HZ3 LYS A 50 4.780 14.589 9.927 1.00 43.34 H new ATOM 838 N GLN A 51 4.197 17.132 6.252 1.00 63.43 N ATOM 839 CA GLN A 51 5.611 16.716 6.200 1.00 24.44 C ATOM 840 C GLN A 51 6.033 16.162 7.585 1.00 65.13 C ATOM 841 O GLN A 51 5.822 14.975 7.871 1.00 12.03 O ATOM 842 CB GLN A 51 6.543 17.872 5.700 1.00 35.00 C ATOM 843 CG GLN A 51 8.025 17.487 5.495 1.00 44.23 C ATOM 844 CD GLN A 51 8.228 16.473 4.371 1.00 54.41 C ATOM 845 OE1 GLN A 51 8.229 15.260 4.594 1.00 34.34 O ATOM 846 NE2 GLN A 51 8.392 16.959 3.150 1.00 13.20 N ATOM 0 H GLN A 51 3.609 16.619 5.595 1.00 63.43 H new ATOM 0 HA GLN A 51 5.721 15.918 5.466 1.00 24.44 H new ATOM 0 HB2 GLN A 51 6.150 18.250 4.756 1.00 35.00 H new ATOM 0 HB3 GLN A 51 6.494 18.691 6.417 1.00 35.00 H new ATOM 0 HG2 GLN A 51 8.601 18.386 5.275 1.00 44.23 H new ATOM 0 HG3 GLN A 51 8.420 17.075 6.424 1.00 44.23 H new ATOM 0 HE21 GLN A 51 8.386 17.968 2.998 1.00 13.20 H new ATOM 0 HE22 GLN A 51 8.524 16.325 2.362 1.00 13.20 H new ATOM 855 N THR A 52 6.521 17.067 8.452 1.00 62.43 N ATOM 856 CA THR A 52 6.963 16.797 9.831 1.00 33.45 C ATOM 857 C THR A 52 7.308 18.163 10.470 1.00 24.14 C ATOM 858 O THR A 52 8.299 18.789 10.073 1.00 23.35 O ATOM 859 CB THR A 52 8.207 15.819 9.920 1.00 45.11 C ATOM 860 OG1 THR A 52 7.802 14.483 9.571 1.00 53.13 O ATOM 861 CG2 THR A 52 8.862 15.787 11.320 1.00 12.24 C ATOM 0 H THR A 52 6.622 18.050 8.199 1.00 62.43 H new ATOM 0 HA THR A 52 6.159 16.287 10.361 1.00 33.45 H new ATOM 0 HB THR A 52 8.949 16.202 9.219 1.00 45.11 H new ATOM 0 HG1 THR A 52 6.892 14.501 9.208 1.00 53.13 H new ATOM 0 HG21 THR A 52 9.707 15.098 11.311 1.00 12.24 H new ATOM 0 HG22 THR A 52 9.211 16.786 11.581 1.00 12.24 H new ATOM 0 HG23 THR A 52 8.130 15.454 12.056 1.00 12.24 H new ATOM 869 N PRO A 53 6.450 18.691 11.405 1.00 40.10 N ATOM 870 CA PRO A 53 6.743 19.951 12.147 1.00 74.30 C ATOM 871 C PRO A 53 8.069 19.875 12.963 1.00 44.23 C ATOM 872 O PRO A 53 8.373 18.825 13.520 1.00 3.53 O ATOM 873 CB PRO A 53 5.506 20.116 13.076 1.00 3.01 C ATOM 874 CG PRO A 53 4.419 19.330 12.394 1.00 24.23 C ATOM 875 CD PRO A 53 5.112 18.142 11.776 1.00 73.31 C ATOM 0 HA PRO A 53 6.894 20.798 11.477 1.00 74.30 H new ATOM 0 HB2 PRO A 53 5.706 19.732 14.076 1.00 3.01 H new ATOM 0 HB3 PRO A 53 5.229 21.164 13.186 1.00 3.01 H new ATOM 0 HG2 PRO A 53 3.657 19.014 13.106 1.00 24.23 H new ATOM 0 HG3 PRO A 53 3.917 19.930 11.635 1.00 24.23 H new ATOM 0 HD2 PRO A 53 5.196 17.313 12.479 1.00 73.31 H new ATOM 0 HD3 PRO A 53 4.573 17.768 10.905 1.00 73.31 H new ATOM 883 N PRO A 54 8.900 20.972 12.998 1.00 41.33 N ATOM 884 CA PRO A 54 10.137 21.029 13.835 1.00 23.42 C ATOM 885 C PRO A 54 9.879 20.839 15.352 1.00 35.44 C ATOM 886 O PRO A 54 10.760 20.362 16.077 1.00 2.05 O ATOM 887 CB PRO A 54 10.711 22.443 13.536 1.00 2.43 C ATOM 888 CG PRO A 54 10.143 22.802 12.194 1.00 53.44 C ATOM 889 CD PRO A 54 8.751 22.207 12.186 1.00 73.01 C ATOM 0 HA PRO A 54 10.817 20.214 13.589 1.00 23.42 H new ATOM 0 HB2 PRO A 54 10.413 23.162 14.299 1.00 2.43 H new ATOM 0 HB3 PRO A 54 11.801 22.433 13.516 1.00 2.43 H new ATOM 0 HG2 PRO A 54 10.111 23.883 12.055 1.00 53.44 H new ATOM 0 HG3 PRO A 54 10.751 22.395 11.386 1.00 53.44 H new ATOM 0 HD2 PRO A 54 8.020 22.888 12.621 1.00 73.01 H new ATOM 0 HD3 PRO A 54 8.415 21.984 11.173 1.00 73.01 H new ATOM 897 N GLY A 55 8.674 21.225 15.818 1.00 53.51 N ATOM 898 CA GLY A 55 8.314 21.127 17.242 1.00 33.31 C ATOM 899 C GLY A 55 7.884 19.722 17.668 1.00 12.15 C ATOM 900 O GLY A 55 6.717 19.500 17.999 1.00 31.34 O ATOM 0 H GLY A 55 7.936 21.607 15.227 1.00 53.51 H new ATOM 0 HA2 GLY A 55 9.167 21.436 17.846 1.00 33.31 H new ATOM 0 HA3 GLY A 55 7.504 21.826 17.453 1.00 33.31 H new ATOM 904 N ILE A 56 8.833 18.765 17.641 1.00 71.41 N ATOM 905 CA ILE A 56 8.620 17.361 18.060 1.00 13.31 C ATOM 906 C ILE A 56 9.684 17.012 19.109 1.00 73.04 C ATOM 907 O ILE A 56 10.878 17.112 18.814 1.00 0.43 O ATOM 908 CB ILE A 56 8.746 16.361 16.838 1.00 31.23 C ATOM 909 CG1 ILE A 56 7.747 16.725 15.694 1.00 61.24 C ATOM 910 CG2 ILE A 56 8.564 14.885 17.280 1.00 24.43 C ATOM 911 CD1 ILE A 56 6.285 16.782 16.094 1.00 32.31 C ATOM 0 H ILE A 56 9.785 18.947 17.323 1.00 71.41 H new ATOM 0 HA ILE A 56 7.614 17.263 18.467 1.00 13.31 H new ATOM 0 HB ILE A 56 9.758 16.466 16.446 1.00 31.23 H new ATOM 0 HG12 ILE A 56 8.031 17.694 15.283 1.00 61.24 H new ATOM 0 HG13 ILE A 56 7.858 15.994 14.893 1.00 61.24 H new ATOM 0 HG21 ILE A 56 8.658 14.231 16.413 1.00 24.43 H new ATOM 0 HG22 ILE A 56 9.329 14.628 18.013 1.00 24.43 H new ATOM 0 HG23 ILE A 56 7.577 14.758 17.726 1.00 24.43 H new ATOM 0 HD11 ILE A 56 5.680 17.043 15.226 1.00 32.31 H new ATOM 0 HD12 ILE A 56 5.974 15.809 16.474 1.00 32.31 H new ATOM 0 HD13 ILE A 56 6.149 17.535 16.870 1.00 32.31 H new ATOM 923 N THR A 57 9.257 16.628 20.332 1.00 22.51 N ATOM 924 CA THR A 57 10.185 16.261 21.421 1.00 2.10 C ATOM 925 C THR A 57 10.757 14.838 21.211 1.00 73.44 C ATOM 926 O THR A 57 10.301 14.102 20.334 1.00 43.12 O ATOM 927 CB THR A 57 9.501 16.378 22.833 1.00 22.34 C ATOM 928 OG1 THR A 57 10.472 16.219 23.875 1.00 24.12 O ATOM 929 CG2 THR A 57 8.382 15.346 23.046 1.00 62.21 C ATOM 0 H THR A 57 8.272 16.565 20.589 1.00 22.51 H new ATOM 0 HA THR A 57 11.011 16.971 21.392 1.00 2.10 H new ATOM 0 HB THR A 57 9.055 17.372 22.870 1.00 22.34 H new ATOM 0 HG1 THR A 57 10.032 16.296 24.747 1.00 24.12 H new ATOM 0 HG21 THR A 57 7.950 15.478 24.038 1.00 62.21 H new ATOM 0 HG22 THR A 57 7.608 15.487 22.291 1.00 62.21 H new ATOM 0 HG23 THR A 57 8.793 14.340 22.960 1.00 62.21 H new ATOM 937 N ARG A 58 11.699 14.455 22.085 1.00 24.53 N ATOM 938 CA ARG A 58 12.461 13.187 21.991 1.00 15.15 C ATOM 939 C ARG A 58 11.558 11.940 22.192 1.00 24.22 C ATOM 940 O ARG A 58 11.777 10.907 21.552 1.00 20.34 O ATOM 941 CB ARG A 58 13.674 13.179 23.008 1.00 64.31 C ATOM 942 CG ARG A 58 13.527 14.058 24.293 1.00 44.22 C ATOM 943 CD ARG A 58 12.342 13.678 25.218 1.00 65.30 C ATOM 944 NE ARG A 58 12.120 14.693 26.273 1.00 14.11 N ATOM 945 CZ ARG A 58 10.988 14.848 26.998 1.00 0.33 C ATOM 946 NH1 ARG A 58 9.937 14.059 26.815 1.00 32.55 N ATOM 947 NH2 ARG A 58 10.917 15.808 27.908 1.00 62.11 N ATOM 0 H ARG A 58 11.962 15.021 22.892 1.00 24.53 H new ATOM 0 HA ARG A 58 12.860 13.130 20.978 1.00 15.15 H new ATOM 0 HB2 ARG A 58 13.848 12.149 23.320 1.00 64.31 H new ATOM 0 HB3 ARG A 58 14.566 13.506 22.474 1.00 64.31 H new ATOM 0 HG2 ARG A 58 14.451 13.992 24.867 1.00 44.22 H new ATOM 0 HG3 ARG A 58 13.413 15.099 23.991 1.00 44.22 H new ATOM 0 HD2 ARG A 58 11.436 13.569 24.622 1.00 65.30 H new ATOM 0 HD3 ARG A 58 12.537 12.710 25.680 1.00 65.30 H new ATOM 0 HE ARG A 58 12.889 15.333 26.471 1.00 14.11 H new ATOM 0 HH11 ARG A 58 9.972 13.317 26.116 1.00 32.55 H new ATOM 0 HH12 ARG A 58 9.094 14.195 27.373 1.00 32.55 H new ATOM 0 HH21 ARG A 58 11.714 16.427 28.060 1.00 62.11 H new ATOM 0 HH22 ARG A 58 10.066 15.929 28.457 1.00 62.11 H new ATOM 961 N SER A 59 10.535 12.061 23.055 1.00 45.31 N ATOM 962 CA SER A 59 9.621 10.946 23.376 1.00 72.11 C ATOM 963 C SER A 59 8.688 10.650 22.194 1.00 54.32 C ATOM 964 O SER A 59 8.501 9.496 21.808 1.00 33.11 O ATOM 965 CB SER A 59 8.812 11.291 24.635 1.00 51.34 C ATOM 966 OG SER A 59 9.673 11.546 25.727 1.00 11.43 O ATOM 0 H SER A 59 10.317 12.927 23.548 1.00 45.31 H new ATOM 0 HA SER A 59 10.209 10.049 23.567 1.00 72.11 H new ATOM 0 HB2 SER A 59 8.189 12.165 24.445 1.00 51.34 H new ATOM 0 HB3 SER A 59 8.141 10.468 24.879 1.00 51.34 H new ATOM 0 HG SER A 59 9.146 11.608 26.551 1.00 11.43 H new ATOM 972 N ILE A 60 8.140 11.734 21.611 1.00 1.43 N ATOM 973 CA ILE A 60 7.221 11.676 20.465 1.00 14.21 C ATOM 974 C ILE A 60 7.963 11.190 19.213 1.00 75.24 C ATOM 975 O ILE A 60 7.432 10.379 18.454 1.00 23.52 O ATOM 976 CB ILE A 60 6.544 13.077 20.224 1.00 51.42 C ATOM 977 CG1 ILE A 60 5.654 13.454 21.451 1.00 11.14 C ATOM 978 CG2 ILE A 60 5.721 13.106 18.907 1.00 51.22 C ATOM 979 CD1 ILE A 60 5.071 14.854 21.414 1.00 31.12 C ATOM 0 H ILE A 60 8.328 12.685 21.929 1.00 1.43 H new ATOM 0 HA ILE A 60 6.429 10.961 20.686 1.00 14.21 H new ATOM 0 HB ILE A 60 7.334 13.820 20.117 1.00 51.42 H new ATOM 0 HG12 ILE A 60 4.836 12.738 21.521 1.00 11.14 H new ATOM 0 HG13 ILE A 60 6.249 13.348 22.358 1.00 11.14 H new ATOM 0 HG21 ILE A 60 5.271 14.091 18.780 1.00 51.22 H new ATOM 0 HG22 ILE A 60 6.378 12.896 18.063 1.00 51.22 H new ATOM 0 HG23 ILE A 60 4.935 12.352 18.952 1.00 51.22 H new ATOM 0 HD11 ILE A 60 4.469 15.021 22.307 1.00 31.12 H new ATOM 0 HD12 ILE A 60 5.880 15.584 21.379 1.00 31.12 H new ATOM 0 HD13 ILE A 60 4.445 14.964 20.529 1.00 31.12 H new ATOM 991 N GLN A 61 9.208 11.674 19.051 1.00 10.20 N ATOM 992 CA GLN A 61 10.112 11.283 17.959 1.00 3.11 C ATOM 993 C GLN A 61 10.421 9.768 18.028 1.00 13.11 C ATOM 994 O GLN A 61 10.487 9.099 16.993 1.00 70.33 O ATOM 995 CB GLN A 61 11.407 12.130 18.044 1.00 44.01 C ATOM 996 CG GLN A 61 12.434 11.864 16.932 1.00 5.24 C ATOM 997 CD GLN A 61 13.704 12.700 17.088 1.00 33.01 C ATOM 998 OE1 GLN A 61 14.655 12.287 17.761 1.00 12.21 O ATOM 999 NE2 GLN A 61 13.741 13.868 16.459 1.00 0.14 N ATOM 0 H GLN A 61 9.619 12.358 19.686 1.00 10.20 H new ATOM 0 HA GLN A 61 9.632 11.473 16.999 1.00 3.11 H new ATOM 0 HB2 GLN A 61 11.135 13.185 18.021 1.00 44.01 H new ATOM 0 HB3 GLN A 61 11.882 11.944 19.008 1.00 44.01 H new ATOM 0 HG2 GLN A 61 12.698 10.806 16.933 1.00 5.24 H new ATOM 0 HG3 GLN A 61 11.980 12.078 15.965 1.00 5.24 H new ATOM 0 HE21 GLN A 61 12.938 14.178 15.912 1.00 0.14 H new ATOM 0 HE22 GLN A 61 14.572 14.455 16.523 1.00 0.14 H new ATOM 1008 N ASP A 62 10.577 9.250 19.267 1.00 13.12 N ATOM 1009 CA ASP A 62 10.786 7.810 19.523 1.00 21.01 C ATOM 1010 C ASP A 62 9.557 6.983 19.092 1.00 52.32 C ATOM 1011 O ASP A 62 9.698 6.005 18.348 1.00 22.33 O ATOM 1012 CB ASP A 62 11.097 7.564 21.023 1.00 4.40 C ATOM 1013 CG ASP A 62 11.177 6.064 21.391 1.00 72.10 C ATOM 1014 OD1 ASP A 62 10.176 5.497 21.894 1.00 74.40 O ATOM 1015 OD2 ASP A 62 12.240 5.444 21.182 1.00 42.31 O ATOM 0 H ASP A 62 10.561 9.818 20.114 1.00 13.12 H new ATOM 0 HA ASP A 62 11.640 7.486 18.928 1.00 21.01 H new ATOM 0 HB2 ASP A 62 12.043 8.044 21.275 1.00 4.40 H new ATOM 0 HB3 ASP A 62 10.327 8.040 21.630 1.00 4.40 H new ATOM 1020 N MET A 63 8.355 7.403 19.571 1.00 22.02 N ATOM 1021 CA MET A 63 7.077 6.695 19.306 1.00 13.23 C ATOM 1022 C MET A 63 6.850 6.544 17.801 1.00 50.05 C ATOM 1023 O MET A 63 6.646 5.433 17.301 1.00 75.50 O ATOM 1024 CB MET A 63 5.857 7.440 19.919 1.00 34.53 C ATOM 1025 CG MET A 63 5.889 7.649 21.435 1.00 74.24 C ATOM 1026 SD MET A 63 4.330 8.327 22.057 1.00 33.21 S ATOM 1027 CE MET A 63 4.066 9.756 20.991 1.00 50.42 C ATOM 0 H MET A 63 8.247 8.237 20.148 1.00 22.02 H new ATOM 0 HA MET A 63 7.159 5.715 19.776 1.00 13.23 H new ATOM 0 HB2 MET A 63 5.774 8.415 19.440 1.00 34.53 H new ATOM 0 HB3 MET A 63 4.954 6.884 19.668 1.00 34.53 H new ATOM 0 HG2 MET A 63 6.094 6.699 21.928 1.00 74.24 H new ATOM 0 HG3 MET A 63 6.706 8.324 21.691 1.00 74.24 H new ATOM 0 HE1 MET A 63 3.035 10.096 21.086 1.00 50.42 H new ATOM 0 HE2 MET A 63 4.741 10.559 21.286 1.00 50.42 H new ATOM 0 HE3 MET A 63 4.262 9.479 19.955 1.00 50.42 H new ATOM 1037 N VAL A 64 6.927 7.683 17.091 1.00 71.33 N ATOM 1038 CA VAL A 64 6.605 7.750 15.661 1.00 63.42 C ATOM 1039 C VAL A 64 7.663 7.057 14.800 1.00 72.45 C ATOM 1040 O VAL A 64 7.312 6.510 13.770 1.00 22.44 O ATOM 1041 CB VAL A 64 6.367 9.213 15.169 1.00 34.03 C ATOM 1042 CG1 VAL A 64 5.197 9.872 15.948 1.00 72.41 C ATOM 1043 CG2 VAL A 64 7.660 10.048 15.253 1.00 52.40 C ATOM 0 H VAL A 64 7.213 8.576 17.492 1.00 71.33 H new ATOM 0 HA VAL A 64 5.667 7.208 15.541 1.00 63.42 H new ATOM 0 HB VAL A 64 6.080 9.178 14.118 1.00 34.03 H new ATOM 0 HG11 VAL A 64 5.049 10.890 15.589 1.00 72.41 H new ATOM 0 HG12 VAL A 64 4.285 9.296 15.791 1.00 72.41 H new ATOM 0 HG13 VAL A 64 5.434 9.893 17.012 1.00 72.41 H new ATOM 0 HG21 VAL A 64 7.462 11.061 14.904 1.00 52.40 H new ATOM 0 HG22 VAL A 64 8.005 10.081 16.286 1.00 52.40 H new ATOM 0 HG23 VAL A 64 8.428 9.593 14.628 1.00 52.40 H new ATOM 1053 N ALA A 65 8.945 7.063 15.235 1.00 32.10 N ATOM 1054 CA ALA A 65 10.012 6.308 14.545 1.00 1.12 C ATOM 1055 C ALA A 65 9.713 4.797 14.611 1.00 55.45 C ATOM 1056 O ALA A 65 9.942 4.069 13.639 1.00 33.12 O ATOM 1057 CB ALA A 65 11.389 6.625 15.141 1.00 22.24 C ATOM 0 H ALA A 65 9.262 7.579 16.055 1.00 32.10 H new ATOM 0 HA ALA A 65 10.033 6.614 13.499 1.00 1.12 H new ATOM 0 HB1 ALA A 65 12.154 6.055 14.613 1.00 22.24 H new ATOM 0 HB2 ALA A 65 11.594 7.690 15.037 1.00 22.24 H new ATOM 0 HB3 ALA A 65 11.399 6.355 16.197 1.00 22.24 H new ATOM 1063 N GLY A 66 9.158 4.357 15.764 1.00 45.41 N ATOM 1064 CA GLY A 66 8.661 2.991 15.927 1.00 34.03 C ATOM 1065 C GLY A 66 7.492 2.698 14.988 1.00 51.12 C ATOM 1066 O GLY A 66 7.455 1.643 14.361 1.00 63.44 O ATOM 0 H GLY A 66 9.047 4.940 16.594 1.00 45.41 H new ATOM 0 HA2 GLY A 66 9.468 2.285 15.734 1.00 34.03 H new ATOM 0 HA3 GLY A 66 8.345 2.840 16.959 1.00 34.03 H new ATOM 1070 N TYR A 67 6.563 3.672 14.864 1.00 61.42 N ATOM 1071 CA TYR A 67 5.371 3.559 13.996 1.00 4.34 C ATOM 1072 C TYR A 67 5.754 3.483 12.499 1.00 71.02 C ATOM 1073 O TYR A 67 5.155 2.707 11.738 1.00 1.11 O ATOM 1074 CB TYR A 67 4.387 4.744 14.239 1.00 31.14 C ATOM 1075 CG TYR A 67 3.747 4.775 15.643 1.00 22.35 C ATOM 1076 CD1 TYR A 67 3.621 5.966 16.368 1.00 30.14 C ATOM 1077 CD2 TYR A 67 3.259 3.605 16.243 1.00 44.23 C ATOM 1078 CE1 TYR A 67 3.050 5.987 17.624 1.00 51.12 C ATOM 1079 CE2 TYR A 67 2.687 3.629 17.496 1.00 14.15 C ATOM 1080 CZ TYR A 67 2.582 4.815 18.181 1.00 14.03 C ATOM 1081 OH TYR A 67 2.004 4.827 19.428 1.00 73.43 O ATOM 0 H TYR A 67 6.619 4.559 15.364 1.00 61.42 H new ATOM 0 HA TYR A 67 4.871 2.628 14.262 1.00 4.34 H new ATOM 0 HB2 TYR A 67 4.921 5.680 14.078 1.00 31.14 H new ATOM 0 HB3 TYR A 67 3.593 4.697 13.494 1.00 31.14 H new ATOM 0 HD1 TYR A 67 3.979 6.888 15.935 1.00 30.14 H new ATOM 0 HD2 TYR A 67 3.333 2.667 15.713 1.00 44.23 H new ATOM 0 HE1 TYR A 67 2.970 6.916 18.168 1.00 51.12 H new ATOM 0 HE2 TYR A 67 2.321 2.715 17.940 1.00 14.15 H new ATOM 0 HH TYR A 67 1.728 3.918 19.670 1.00 73.43 H new ATOM 1091 N ILE A 68 6.767 4.281 12.099 1.00 53.15 N ATOM 1092 CA ILE A 68 7.238 4.337 10.704 1.00 52.35 C ATOM 1093 C ILE A 68 7.996 3.038 10.369 1.00 23.55 C ATOM 1094 O ILE A 68 7.819 2.490 9.291 1.00 22.44 O ATOM 1095 CB ILE A 68 8.152 5.593 10.403 1.00 62.53 C ATOM 1096 CG1 ILE A 68 7.414 6.929 10.744 1.00 24.31 C ATOM 1097 CG2 ILE A 68 8.605 5.605 8.919 1.00 2.33 C ATOM 1098 CD1 ILE A 68 8.271 8.188 10.643 1.00 62.23 C ATOM 0 H ILE A 68 7.276 4.899 12.731 1.00 53.15 H new ATOM 0 HA ILE A 68 6.357 4.440 10.071 1.00 52.35 H new ATOM 0 HB ILE A 68 9.033 5.514 11.040 1.00 62.53 H new ATOM 0 HG12 ILE A 68 6.560 7.035 10.075 1.00 24.31 H new ATOM 0 HG13 ILE A 68 7.018 6.859 11.757 1.00 24.31 H new ATOM 0 HG21 ILE A 68 9.232 6.478 8.737 1.00 2.33 H new ATOM 0 HG22 ILE A 68 9.173 4.699 8.704 1.00 2.33 H new ATOM 0 HG23 ILE A 68 7.729 5.646 8.272 1.00 2.33 H new ATOM 0 HD11 ILE A 68 7.669 9.060 10.898 1.00 62.23 H new ATOM 0 HD12 ILE A 68 9.111 8.113 11.333 1.00 62.23 H new ATOM 0 HD13 ILE A 68 8.646 8.292 9.625 1.00 62.23 H new ATOM 1110 N LYS A 69 8.806 2.531 11.326 1.00 21.31 N ATOM 1111 CA LYS A 69 9.570 1.278 11.134 1.00 70.31 C ATOM 1112 C LYS A 69 8.607 0.087 10.908 1.00 51.31 C ATOM 1113 O LYS A 69 8.867 -0.773 10.052 1.00 33.33 O ATOM 1114 CB LYS A 69 10.492 0.975 12.342 1.00 53.11 C ATOM 1115 CG LYS A 69 11.522 -0.156 12.057 1.00 54.34 C ATOM 1116 CD LYS A 69 12.193 -0.722 13.328 1.00 21.33 C ATOM 1117 CE LYS A 69 11.196 -1.466 14.236 1.00 15.34 C ATOM 1118 NZ LYS A 69 11.855 -2.076 15.424 1.00 15.52 N ATOM 0 H LYS A 69 8.947 2.969 12.236 1.00 21.31 H new ATOM 0 HA LYS A 69 10.197 1.414 10.253 1.00 70.31 H new ATOM 0 HB2 LYS A 69 11.027 1.883 12.620 1.00 53.11 H new ATOM 0 HB3 LYS A 69 9.879 0.692 13.197 1.00 53.11 H new ATOM 0 HG2 LYS A 69 11.020 -0.968 11.530 1.00 54.34 H new ATOM 0 HG3 LYS A 69 12.294 0.228 11.390 1.00 54.34 H new ATOM 0 HD2 LYS A 69 12.995 -1.402 13.040 1.00 21.33 H new ATOM 0 HD3 LYS A 69 12.651 0.093 13.888 1.00 21.33 H new ATOM 0 HE2 LYS A 69 10.424 -0.772 14.569 1.00 15.34 H new ATOM 0 HE3 LYS A 69 10.697 -2.246 13.661 1.00 15.34 H new ATOM 0 HZ1 LYS A 69 11.143 -2.565 16.003 1.00 15.52 H new ATOM 0 HZ2 LYS A 69 12.574 -2.759 15.110 1.00 15.52 H new ATOM 0 HZ3 LYS A 69 12.309 -1.331 15.990 1.00 15.52 H new ATOM 1132 N GLN A 70 7.492 0.075 11.683 1.00 72.11 N ATOM 1133 CA GLN A 70 6.426 -0.935 11.545 1.00 31.13 C ATOM 1134 C GLN A 70 5.841 -0.890 10.137 1.00 2.24 C ATOM 1135 O GLN A 70 5.826 -1.902 9.439 1.00 3.01 O ATOM 1136 CB GLN A 70 5.280 -0.718 12.572 1.00 51.21 C ATOM 1137 CG GLN A 70 5.658 -0.988 14.035 1.00 53.03 C ATOM 1138 CD GLN A 70 4.501 -0.780 15.021 1.00 1.05 C ATOM 1139 OE1 GLN A 70 3.271 -1.096 14.612 1.00 55.33 O flip ATOM 1140 NE2 GLN A 70 4.714 -0.361 16.163 1.00 61.41 N flip ATOM 0 H GLN A 70 7.313 0.763 12.415 1.00 72.11 H new ATOM 0 HA GLN A 70 6.879 -1.907 11.737 1.00 31.13 H new ATOM 0 HB2 GLN A 70 4.927 0.310 12.488 1.00 51.21 H new ATOM 0 HB3 GLN A 70 4.445 -1.365 12.303 1.00 51.21 H new ATOM 0 HG2 GLN A 70 6.020 -2.012 14.124 1.00 53.03 H new ATOM 0 HG3 GLN A 70 6.483 -0.333 14.314 1.00 53.03 H new ATOM 0 HE21 GLN A 70 5.664 -0.126 16.451 1.00 61.41 H new ATOM 0 HE22 GLN A 70 3.940 -0.250 16.818 1.00 61.41 H new ATOM 1149 N THR A 71 5.421 0.320 9.726 1.00 42.42 N ATOM 1150 CA THR A 71 4.697 0.519 8.474 1.00 34.25 C ATOM 1151 C THR A 71 5.595 0.234 7.254 1.00 71.13 C ATOM 1152 O THR A 71 5.099 -0.222 6.244 1.00 53.41 O ATOM 1153 CB THR A 71 4.045 1.946 8.398 1.00 12.41 C ATOM 1154 OG1 THR A 71 2.939 1.909 7.501 1.00 50.44 O ATOM 1155 CG2 THR A 71 5.000 3.065 7.939 1.00 12.21 C ATOM 0 H THR A 71 5.577 1.178 10.255 1.00 42.42 H new ATOM 0 HA THR A 71 3.881 -0.203 8.452 1.00 34.25 H new ATOM 0 HB THR A 71 3.745 2.188 9.418 1.00 12.41 H new ATOM 0 HG1 THR A 71 2.962 2.699 6.921 1.00 50.44 H new ATOM 0 HG21 THR A 71 4.464 4.014 7.916 1.00 12.21 H new ATOM 0 HG22 THR A 71 5.837 3.137 8.634 1.00 12.21 H new ATOM 0 HG23 THR A 71 5.376 2.836 6.942 1.00 12.21 H new ATOM 1163 N LEU A 72 6.922 0.471 7.395 1.00 75.14 N ATOM 1164 CA LEU A 72 7.922 0.162 6.348 1.00 75.11 C ATOM 1165 C LEU A 72 8.055 -1.349 6.156 1.00 53.35 C ATOM 1166 O LEU A 72 8.067 -1.835 5.025 1.00 74.22 O ATOM 1167 CB LEU A 72 9.313 0.759 6.714 1.00 42.44 C ATOM 1168 CG LEU A 72 9.429 2.308 6.644 1.00 3.01 C ATOM 1169 CD1 LEU A 72 10.786 2.793 7.196 1.00 14.21 C ATOM 1170 CD2 LEU A 72 9.190 2.808 5.207 1.00 64.11 C ATOM 0 H LEU A 72 7.327 0.881 8.237 1.00 75.14 H new ATOM 0 HA LEU A 72 7.575 0.613 5.418 1.00 75.11 H new ATOM 0 HB2 LEU A 72 9.569 0.441 7.725 1.00 42.44 H new ATOM 0 HB3 LEU A 72 10.059 0.328 6.046 1.00 42.44 H new ATOM 0 HG LEU A 72 8.652 2.735 7.278 1.00 3.01 H new ATOM 0 HD11 LEU A 72 10.837 3.880 7.133 1.00 14.21 H new ATOM 0 HD12 LEU A 72 10.887 2.484 8.236 1.00 14.21 H new ATOM 0 HD13 LEU A 72 11.594 2.358 6.608 1.00 14.21 H new ATOM 0 HD21 LEU A 72 9.276 3.894 5.181 1.00 64.11 H new ATOM 0 HD22 LEU A 72 9.933 2.369 4.541 1.00 64.11 H new ATOM 0 HD23 LEU A 72 8.192 2.515 4.881 1.00 64.11 H new ATOM 1182 N ASP A 73 8.157 -2.067 7.288 1.00 32.13 N ATOM 1183 CA ASP A 73 8.351 -3.523 7.319 1.00 21.41 C ATOM 1184 C ASP A 73 7.123 -4.243 6.733 1.00 13.15 C ATOM 1185 O ASP A 73 7.262 -5.124 5.878 1.00 31.23 O ATOM 1186 CB ASP A 73 8.615 -3.988 8.775 1.00 64.43 C ATOM 1187 CG ASP A 73 8.921 -5.494 8.871 1.00 34.33 C ATOM 1188 OD1 ASP A 73 8.011 -6.283 9.202 1.00 64.13 O ATOM 1189 OD2 ASP A 73 10.080 -5.887 8.609 1.00 75.11 O ATOM 0 H ASP A 73 8.106 -1.646 8.216 1.00 32.13 H new ATOM 0 HA ASP A 73 9.216 -3.778 6.707 1.00 21.41 H new ATOM 0 HB2 ASP A 73 9.452 -3.424 9.186 1.00 64.43 H new ATOM 0 HB3 ASP A 73 7.744 -3.758 9.389 1.00 64.43 H new ATOM 1194 N ASN A 74 5.926 -3.817 7.180 1.00 4.22 N ATOM 1195 CA ASN A 74 4.642 -4.378 6.727 1.00 74.25 C ATOM 1196 C ASN A 74 4.448 -4.133 5.223 1.00 61.44 C ATOM 1197 O ASN A 74 4.103 -5.050 4.475 1.00 65.42 O ATOM 1198 CB ASN A 74 3.459 -3.751 7.516 1.00 64.34 C ATOM 1199 CG ASN A 74 3.524 -3.948 9.040 1.00 41.34 C ATOM 1200 OD1 ASN A 74 4.073 -5.062 9.510 1.00 54.44 O flip ATOM 1201 ND2 ASN A 74 3.076 -3.097 9.803 1.00 55.42 N flip ATOM 0 H ASN A 74 5.824 -3.071 7.868 1.00 4.22 H new ATOM 0 HA ASN A 74 4.660 -5.452 6.913 1.00 74.25 H new ATOM 0 HB2 ASN A 74 3.424 -2.683 7.303 1.00 64.34 H new ATOM 0 HB3 ASN A 74 2.527 -4.180 7.148 1.00 64.34 H new ATOM 0 HD21 ASN A 74 2.657 -2.246 9.428 1.00 55.42 H new ATOM 0 HD22 ASN A 74 3.123 -3.241 10.812 1.00 55.42 H new ATOM 1208 N GLU A 75 4.718 -2.888 4.807 1.00 63.21 N ATOM 1209 CA GLU A 75 4.531 -2.417 3.423 1.00 5.53 C ATOM 1210 C GLU A 75 5.596 -2.993 2.470 1.00 31.22 C ATOM 1211 O GLU A 75 5.370 -3.092 1.260 1.00 12.02 O ATOM 1212 CB GLU A 75 4.517 -0.879 3.447 1.00 71.40 C ATOM 1213 CG GLU A 75 4.226 -0.166 2.128 1.00 32.44 C ATOM 1214 CD GLU A 75 3.953 1.331 2.341 1.00 71.43 C ATOM 1215 OE1 GLU A 75 2.793 1.773 2.159 1.00 41.30 O ATOM 1216 OE2 GLU A 75 4.879 2.066 2.738 1.00 52.12 O ATOM 0 H GLU A 75 5.078 -2.166 5.431 1.00 63.21 H new ATOM 0 HA GLU A 75 3.581 -2.777 3.028 1.00 5.53 H new ATOM 0 HB2 GLU A 75 3.773 -0.559 4.176 1.00 71.40 H new ATOM 0 HB3 GLU A 75 5.486 -0.537 3.810 1.00 71.40 H new ATOM 0 HG2 GLU A 75 5.073 -0.289 1.453 1.00 32.44 H new ATOM 0 HG3 GLU A 75 3.364 -0.628 1.646 1.00 32.44 H new ATOM 1223 N GLN A 76 6.740 -3.401 3.041 1.00 32.33 N ATOM 1224 CA GLN A 76 7.779 -4.160 2.325 1.00 3.13 C ATOM 1225 C GLN A 76 7.252 -5.565 1.988 1.00 41.34 C ATOM 1226 O GLN A 76 7.388 -6.041 0.865 1.00 45.31 O ATOM 1227 CB GLN A 76 9.059 -4.257 3.198 1.00 2.41 C ATOM 1228 CG GLN A 76 10.197 -5.127 2.617 1.00 50.22 C ATOM 1229 CD GLN A 76 11.445 -5.215 3.509 1.00 33.51 C ATOM 1230 OE1 GLN A 76 11.265 -5.205 4.830 1.00 53.14 O flip ATOM 1231 NE2 GLN A 76 12.570 -5.327 3.011 1.00 2.12 N flip ATOM 0 H GLN A 76 6.972 -3.213 4.016 1.00 32.33 H new ATOM 0 HA GLN A 76 8.029 -3.645 1.397 1.00 3.13 H new ATOM 0 HB2 GLN A 76 9.443 -3.250 3.362 1.00 2.41 H new ATOM 0 HB3 GLN A 76 8.783 -4.656 4.174 1.00 2.41 H new ATOM 0 HG2 GLN A 76 9.817 -6.134 2.444 1.00 50.22 H new ATOM 0 HG3 GLN A 76 10.486 -4.725 1.646 1.00 50.22 H new ATOM 0 HE21 GLN A 76 12.681 -5.332 1.997 1.00 2.12 H new ATOM 0 HE22 GLN A 76 13.388 -5.415 3.614 1.00 2.12 H new ATOM 1240 N LEU A 77 6.615 -6.202 2.982 1.00 70.02 N ATOM 1241 CA LEU A 77 6.034 -7.550 2.827 1.00 64.20 C ATOM 1242 C LEU A 77 4.805 -7.518 1.887 1.00 71.41 C ATOM 1243 O LEU A 77 4.505 -8.515 1.223 1.00 63.41 O ATOM 1244 CB LEU A 77 5.684 -8.119 4.222 1.00 51.21 C ATOM 1245 CG LEU A 77 6.887 -8.225 5.216 1.00 33.14 C ATOM 1246 CD1 LEU A 77 6.428 -8.662 6.618 1.00 13.55 C ATOM 1247 CD2 LEU A 77 7.993 -9.151 4.662 1.00 24.12 C ATOM 0 H LEU A 77 6.487 -5.803 3.912 1.00 70.02 H new ATOM 0 HA LEU A 77 6.765 -8.210 2.361 1.00 64.20 H new ATOM 0 HB2 LEU A 77 4.916 -7.490 4.672 1.00 51.21 H new ATOM 0 HB3 LEU A 77 5.250 -9.111 4.094 1.00 51.21 H new ATOM 0 HG LEU A 77 7.317 -7.228 5.317 1.00 33.14 H new ATOM 0 HD11 LEU A 77 7.291 -8.724 7.280 1.00 13.55 H new ATOM 0 HD12 LEU A 77 5.720 -7.933 7.013 1.00 13.55 H new ATOM 0 HD13 LEU A 77 5.947 -9.638 6.556 1.00 13.55 H new ATOM 0 HD21 LEU A 77 8.815 -9.204 5.376 1.00 24.12 H new ATOM 0 HD22 LEU A 77 7.586 -10.150 4.503 1.00 24.12 H new ATOM 0 HD23 LEU A 77 8.360 -8.754 3.715 1.00 24.12 H new ATOM 1259 N LEU A 78 4.118 -6.349 1.829 1.00 24.24 N ATOM 1260 CA LEU A 78 3.054 -6.085 0.837 1.00 53.44 C ATOM 1261 C LEU A 78 3.660 -6.024 -0.567 1.00 40.33 C ATOM 1262 O LEU A 78 3.148 -6.643 -1.487 1.00 71.12 O ATOM 1263 CB LEU A 78 2.332 -4.740 1.107 1.00 1.50 C ATOM 1264 CG LEU A 78 1.590 -4.599 2.460 1.00 31.42 C ATOM 1265 CD1 LEU A 78 1.063 -3.160 2.627 1.00 42.14 C ATOM 1266 CD2 LEU A 78 0.463 -5.647 2.599 1.00 14.32 C ATOM 0 H LEU A 78 4.287 -5.570 2.466 1.00 24.24 H new ATOM 0 HA LEU A 78 2.331 -6.896 0.917 1.00 53.44 H new ATOM 0 HB2 LEU A 78 3.070 -3.940 1.040 1.00 1.50 H new ATOM 0 HB3 LEU A 78 1.611 -4.576 0.306 1.00 1.50 H new ATOM 0 HG LEU A 78 2.297 -4.795 3.266 1.00 31.42 H new ATOM 0 HD11 LEU A 78 0.543 -3.071 3.581 1.00 42.14 H new ATOM 0 HD12 LEU A 78 1.899 -2.461 2.603 1.00 42.14 H new ATOM 0 HD13 LEU A 78 0.373 -2.929 1.815 1.00 42.14 H new ATOM 0 HD21 LEU A 78 -0.036 -5.519 3.559 1.00 14.32 H new ATOM 0 HD22 LEU A 78 -0.259 -5.513 1.794 1.00 14.32 H new ATOM 0 HD23 LEU A 78 0.889 -6.649 2.542 1.00 14.32 H new ATOM 1278 N LYS A 79 4.771 -5.263 -0.690 1.00 75.30 N ATOM 1279 CA LYS A 79 5.477 -5.053 -1.963 1.00 15.12 C ATOM 1280 C LYS A 79 5.826 -6.401 -2.615 1.00 42.05 C ATOM 1281 O LYS A 79 5.488 -6.622 -3.766 1.00 24.55 O ATOM 1282 CB LYS A 79 6.747 -4.189 -1.736 1.00 71.22 C ATOM 1283 CG LYS A 79 7.618 -3.954 -2.996 1.00 41.51 C ATOM 1284 CD LYS A 79 8.815 -3.007 -2.718 1.00 43.34 C ATOM 1285 CE LYS A 79 9.831 -2.972 -3.876 1.00 34.31 C ATOM 1286 NZ LYS A 79 9.210 -2.599 -5.178 1.00 64.24 N ATOM 0 H LYS A 79 5.201 -4.778 0.098 1.00 75.30 H new ATOM 0 HA LYS A 79 4.820 -4.515 -2.646 1.00 15.12 H new ATOM 0 HB2 LYS A 79 6.442 -3.221 -1.339 1.00 71.22 H new ATOM 0 HB3 LYS A 79 7.361 -4.668 -0.973 1.00 71.22 H new ATOM 0 HG2 LYS A 79 7.992 -4.911 -3.360 1.00 41.51 H new ATOM 0 HG3 LYS A 79 7.000 -3.531 -3.788 1.00 41.51 H new ATOM 0 HD2 LYS A 79 8.441 -1.999 -2.539 1.00 43.34 H new ATOM 0 HD3 LYS A 79 9.321 -3.326 -1.807 1.00 43.34 H new ATOM 0 HE2 LYS A 79 10.621 -2.260 -3.638 1.00 34.31 H new ATOM 0 HE3 LYS A 79 10.301 -3.951 -3.970 1.00 34.31 H new ATOM 0 HZ1 LYS A 79 9.900 -2.738 -5.944 1.00 64.24 H new ATOM 0 HZ2 LYS A 79 8.377 -3.197 -5.349 1.00 64.24 H new ATOM 0 HZ3 LYS A 79 8.920 -1.601 -5.151 1.00 64.24 H new ATOM 1300 N GLY A 80 6.426 -7.318 -1.831 1.00 10.33 N ATOM 1301 CA GLY A 80 6.791 -8.648 -2.333 1.00 5.44 C ATOM 1302 C GLY A 80 5.579 -9.501 -2.705 1.00 70.31 C ATOM 1303 O GLY A 80 5.415 -9.873 -3.873 1.00 75.15 O ATOM 0 H GLY A 80 6.665 -7.159 -0.852 1.00 10.33 H new ATOM 0 HA2 GLY A 80 7.432 -8.537 -3.208 1.00 5.44 H new ATOM 0 HA3 GLY A 80 7.375 -9.169 -1.574 1.00 5.44 H new ATOM 1307 N LEU A 81 4.701 -9.746 -1.714 1.00 41.34 N ATOM 1308 CA LEU A 81 3.549 -10.671 -1.832 1.00 11.33 C ATOM 1309 C LEU A 81 2.588 -10.228 -2.960 1.00 32.41 C ATOM 1310 O LEU A 81 2.218 -11.034 -3.828 1.00 23.34 O ATOM 1311 CB LEU A 81 2.834 -10.759 -0.440 1.00 63.25 C ATOM 1312 CG LEU A 81 1.752 -11.890 -0.206 1.00 1.23 C ATOM 1313 CD1 LEU A 81 1.485 -12.089 1.303 1.00 4.13 C ATOM 1314 CD2 LEU A 81 0.411 -11.600 -0.927 1.00 12.42 C ATOM 0 H LEU A 81 4.769 -9.304 -0.797 1.00 41.34 H new ATOM 0 HA LEU A 81 3.898 -11.665 -2.110 1.00 11.33 H new ATOM 0 HB2 LEU A 81 3.606 -10.879 0.320 1.00 63.25 H new ATOM 0 HB3 LEU A 81 2.352 -9.799 -0.256 1.00 63.25 H new ATOM 0 HG LEU A 81 2.170 -12.801 -0.634 1.00 1.23 H new ATOM 0 HD11 LEU A 81 0.738 -12.871 1.440 1.00 4.13 H new ATOM 0 HD12 LEU A 81 2.410 -12.379 1.801 1.00 4.13 H new ATOM 0 HD13 LEU A 81 1.118 -11.157 1.734 1.00 4.13 H new ATOM 0 HD21 LEU A 81 -0.291 -12.410 -0.730 1.00 12.42 H new ATOM 0 HD22 LEU A 81 -0.005 -10.662 -0.559 1.00 12.42 H new ATOM 0 HD23 LEU A 81 0.584 -11.524 -2.000 1.00 12.42 H new ATOM 1326 N LEU A 82 2.206 -8.941 -2.937 1.00 22.44 N ATOM 1327 CA LEU A 82 1.248 -8.375 -3.898 1.00 55.01 C ATOM 1328 C LEU A 82 1.875 -8.233 -5.299 1.00 14.52 C ATOM 1329 O LEU A 82 1.145 -8.288 -6.275 1.00 41.12 O ATOM 1330 CB LEU A 82 0.679 -7.015 -3.407 1.00 34.42 C ATOM 1331 CG LEU A 82 0.004 -7.014 -1.995 1.00 3.23 C ATOM 1332 CD1 LEU A 82 -0.540 -5.611 -1.641 1.00 11.31 C ATOM 1333 CD2 LEU A 82 -1.092 -8.096 -1.893 1.00 12.24 C ATOM 0 H LEU A 82 2.551 -8.267 -2.254 1.00 22.44 H new ATOM 0 HA LEU A 82 0.416 -9.075 -3.971 1.00 55.01 H new ATOM 0 HB2 LEU A 82 1.491 -6.288 -3.398 1.00 34.42 H new ATOM 0 HB3 LEU A 82 -0.053 -6.667 -4.136 1.00 34.42 H new ATOM 0 HG LEU A 82 0.768 -7.264 -1.259 1.00 3.23 H new ATOM 0 HD11 LEU A 82 -1.004 -5.639 -0.655 1.00 11.31 H new ATOM 0 HD12 LEU A 82 0.280 -4.893 -1.636 1.00 11.31 H new ATOM 0 HD13 LEU A 82 -1.281 -5.310 -2.382 1.00 11.31 H new ATOM 0 HD21 LEU A 82 -1.540 -8.068 -0.900 1.00 12.24 H new ATOM 0 HD22 LEU A 82 -1.860 -7.908 -2.643 1.00 12.24 H new ATOM 0 HD23 LEU A 82 -0.651 -9.078 -2.064 1.00 12.24 H new ATOM 1345 N GLN A 83 3.223 -8.056 -5.393 1.00 60.33 N ATOM 1346 CA GLN A 83 3.927 -8.027 -6.705 1.00 75.53 C ATOM 1347 C GLN A 83 3.819 -9.392 -7.403 1.00 4.02 C ATOM 1348 O GLN A 83 3.682 -9.455 -8.632 1.00 43.34 O ATOM 1349 CB GLN A 83 5.413 -7.641 -6.529 1.00 32.25 C ATOM 1350 CG GLN A 83 6.216 -7.465 -7.830 1.00 31.04 C ATOM 1351 CD GLN A 83 7.663 -6.990 -7.611 1.00 64.35 C ATOM 1352 OE1 GLN A 83 8.218 -6.261 -8.436 1.00 45.32 O ATOM 1353 NE2 GLN A 83 8.295 -7.409 -6.516 1.00 63.44 N ATOM 0 H GLN A 83 3.836 -7.933 -4.587 1.00 60.33 H new ATOM 0 HA GLN A 83 3.446 -7.271 -7.326 1.00 75.53 H new ATOM 0 HB2 GLN A 83 5.463 -6.710 -5.964 1.00 32.25 H new ATOM 0 HB3 GLN A 83 5.899 -8.407 -5.925 1.00 32.25 H new ATOM 0 HG2 GLN A 83 6.233 -8.414 -8.366 1.00 31.04 H new ATOM 0 HG3 GLN A 83 5.701 -6.747 -8.469 1.00 31.04 H new ATOM 0 HE21 GLN A 83 7.814 -8.012 -5.849 1.00 63.44 H new ATOM 0 HE22 GLN A 83 9.260 -7.127 -6.345 1.00 63.44 H new ATOM 1362 N GLN A 84 3.881 -10.472 -6.591 1.00 31.40 N ATOM 1363 CA GLN A 84 3.674 -11.852 -7.073 1.00 31.24 C ATOM 1364 C GLN A 84 2.256 -11.981 -7.639 1.00 33.34 C ATOM 1365 O GLN A 84 2.079 -12.431 -8.767 1.00 62.32 O ATOM 1366 CB GLN A 84 3.892 -12.877 -5.929 1.00 1.13 C ATOM 1367 CG GLN A 84 5.257 -12.769 -5.230 1.00 35.03 C ATOM 1368 CD GLN A 84 5.446 -13.729 -4.053 1.00 33.22 C ATOM 1369 OE1 GLN A 84 6.104 -13.392 -3.066 1.00 72.34 O ATOM 1370 NE2 GLN A 84 4.912 -14.941 -4.151 1.00 61.52 N ATOM 0 H GLN A 84 4.074 -10.410 -5.591 1.00 31.40 H new ATOM 0 HA GLN A 84 4.401 -12.066 -7.856 1.00 31.24 H new ATOM 0 HB2 GLN A 84 3.106 -12.746 -5.186 1.00 1.13 H new ATOM 0 HB3 GLN A 84 3.784 -13.883 -6.334 1.00 1.13 H new ATOM 0 HG2 GLN A 84 6.042 -12.954 -5.963 1.00 35.03 H new ATOM 0 HG3 GLN A 84 5.389 -11.747 -4.874 1.00 35.03 H new ATOM 0 HE21 GLN A 84 4.372 -15.195 -4.978 1.00 61.52 H new ATOM 0 HE22 GLN A 84 5.042 -15.618 -3.399 1.00 61.52 H new ATOM 1379 N ARG A 85 1.270 -11.509 -6.839 1.00 41.32 N ATOM 1380 CA ARG A 85 -0.159 -11.483 -7.220 1.00 41.24 C ATOM 1381 C ARG A 85 -0.374 -10.750 -8.555 1.00 72.41 C ATOM 1382 O ARG A 85 -1.071 -11.252 -9.429 1.00 32.34 O ATOM 1383 CB ARG A 85 -1.001 -10.789 -6.119 1.00 34.23 C ATOM 1384 CG ARG A 85 -0.995 -11.491 -4.746 1.00 53.21 C ATOM 1385 CD ARG A 85 -1.868 -12.757 -4.696 1.00 64.21 C ATOM 1386 NE ARG A 85 -1.287 -13.951 -5.337 1.00 53.41 N ATOM 1387 CZ ARG A 85 -1.741 -15.209 -5.135 1.00 51.15 C ATOM 1388 NH1 ARG A 85 -2.773 -15.444 -4.321 1.00 14.52 N ATOM 1389 NH2 ARG A 85 -1.157 -16.220 -5.748 1.00 42.31 N ATOM 0 H ARG A 85 1.447 -11.134 -5.907 1.00 41.32 H new ATOM 0 HA ARG A 85 -0.482 -12.518 -7.334 1.00 41.24 H new ATOM 0 HB2 ARG A 85 -0.633 -9.771 -5.990 1.00 34.23 H new ATOM 0 HB3 ARG A 85 -2.032 -10.714 -6.466 1.00 34.23 H new ATOM 0 HG2 ARG A 85 0.030 -11.757 -4.488 1.00 53.21 H new ATOM 0 HG3 ARG A 85 -1.343 -10.790 -3.988 1.00 53.21 H new ATOM 0 HD2 ARG A 85 -2.079 -12.992 -3.653 1.00 64.21 H new ATOM 0 HD3 ARG A 85 -2.824 -12.538 -5.173 1.00 64.21 H new ATOM 0 HE ARG A 85 -0.497 -13.821 -5.969 1.00 53.41 H new ATOM 0 HH11 ARG A 85 -3.231 -14.669 -3.841 1.00 14.52 H new ATOM 0 HH12 ARG A 85 -3.104 -16.398 -4.179 1.00 14.52 H new ATOM 0 HH21 ARG A 85 -0.367 -16.051 -6.371 1.00 42.31 H new ATOM 0 HH22 ARG A 85 -1.495 -17.171 -5.599 1.00 42.31 H new ATOM 1403 N LEU A 86 0.270 -9.574 -8.689 1.00 74.54 N ATOM 1404 CA LEU A 86 0.154 -8.716 -9.880 1.00 21.55 C ATOM 1405 C LEU A 86 0.750 -9.391 -11.113 1.00 40.23 C ATOM 1406 O LEU A 86 0.197 -9.271 -12.191 1.00 34.42 O ATOM 1407 CB LEU A 86 0.841 -7.342 -9.651 1.00 43.33 C ATOM 1408 CG LEU A 86 0.166 -6.415 -8.599 1.00 43.11 C ATOM 1409 CD1 LEU A 86 0.942 -5.098 -8.434 1.00 3.13 C ATOM 1410 CD2 LEU A 86 -1.312 -6.163 -8.949 1.00 71.25 C ATOM 0 H LEU A 86 0.886 -9.193 -7.971 1.00 74.54 H new ATOM 0 HA LEU A 86 -0.910 -8.552 -10.054 1.00 21.55 H new ATOM 0 HB2 LEU A 86 1.872 -7.519 -9.344 1.00 43.33 H new ATOM 0 HB3 LEU A 86 0.879 -6.813 -10.603 1.00 43.33 H new ATOM 0 HG LEU A 86 0.192 -6.928 -7.638 1.00 43.11 H new ATOM 0 HD11 LEU A 86 0.445 -4.473 -7.692 1.00 3.13 H new ATOM 0 HD12 LEU A 86 1.958 -5.313 -8.104 1.00 3.13 H new ATOM 0 HD13 LEU A 86 0.974 -4.573 -9.388 1.00 3.13 H new ATOM 0 HD21 LEU A 86 -1.758 -5.512 -8.197 1.00 71.25 H new ATOM 0 HD22 LEU A 86 -1.378 -5.686 -9.927 1.00 71.25 H new ATOM 0 HD23 LEU A 86 -1.848 -7.112 -8.971 1.00 71.25 H new ATOM 1422 N ASP A 87 1.883 -10.093 -10.929 1.00 63.10 N ATOM 1423 CA ASP A 87 2.581 -10.811 -12.018 1.00 62.14 C ATOM 1424 C ASP A 87 1.692 -11.948 -12.567 1.00 13.44 C ATOM 1425 O ASP A 87 1.587 -12.141 -13.788 1.00 12.00 O ATOM 1426 CB ASP A 87 3.936 -11.379 -11.507 1.00 14.23 C ATOM 1427 CG ASP A 87 4.747 -12.062 -12.628 1.00 31.33 C ATOM 1428 OD1 ASP A 87 5.359 -11.341 -13.444 1.00 24.22 O ATOM 1429 OD2 ASP A 87 4.774 -13.314 -12.707 1.00 21.32 O ATOM 0 H ASP A 87 2.343 -10.180 -10.023 1.00 63.10 H new ATOM 0 HA ASP A 87 2.782 -10.108 -12.827 1.00 62.14 H new ATOM 0 HB2 ASP A 87 4.526 -10.571 -11.076 1.00 14.23 H new ATOM 0 HB3 ASP A 87 3.748 -12.097 -10.709 1.00 14.23 H new ATOM 1434 N GLU A 88 1.036 -12.663 -11.630 1.00 3.04 N ATOM 1435 CA GLU A 88 0.127 -13.784 -11.932 1.00 54.14 C ATOM 1436 C GLU A 88 -1.116 -13.284 -12.687 1.00 22.31 C ATOM 1437 O GLU A 88 -1.383 -13.737 -13.799 1.00 41.33 O ATOM 1438 CB GLU A 88 -0.261 -14.512 -10.617 1.00 24.24 C ATOM 1439 CG GLU A 88 0.945 -15.163 -9.901 1.00 41.24 C ATOM 1440 CD GLU A 88 0.616 -15.645 -8.482 1.00 52.20 C ATOM 1441 OE1 GLU A 88 0.316 -16.845 -8.291 1.00 53.23 O ATOM 1442 OE2 GLU A 88 0.646 -14.820 -7.544 1.00 44.44 O ATOM 0 H GLU A 88 1.125 -12.475 -10.631 1.00 3.04 H new ATOM 0 HA GLU A 88 0.637 -14.496 -12.580 1.00 54.14 H new ATOM 0 HB2 GLU A 88 -0.735 -13.800 -9.941 1.00 24.24 H new ATOM 0 HB3 GLU A 88 -1.001 -15.281 -10.840 1.00 24.24 H new ATOM 0 HG2 GLU A 88 1.298 -16.008 -10.492 1.00 41.24 H new ATOM 0 HG3 GLU A 88 1.763 -14.444 -9.853 1.00 41.24 H new ATOM 1449 N LEU A 89 -1.819 -12.296 -12.092 1.00 2.25 N ATOM 1450 CA LEU A 89 -3.065 -11.721 -12.650 1.00 40.23 C ATOM 1451 C LEU A 89 -2.811 -10.997 -13.986 1.00 2.35 C ATOM 1452 O LEU A 89 -3.667 -11.029 -14.868 1.00 53.55 O ATOM 1453 CB LEU A 89 -3.731 -10.764 -11.620 1.00 35.55 C ATOM 1454 CG LEU A 89 -4.145 -11.419 -10.259 1.00 34.10 C ATOM 1455 CD1 LEU A 89 -4.588 -10.351 -9.246 1.00 65.12 C ATOM 1456 CD2 LEU A 89 -5.240 -12.495 -10.452 1.00 42.24 C ATOM 0 H LEU A 89 -1.538 -11.872 -11.208 1.00 2.25 H new ATOM 0 HA LEU A 89 -3.749 -12.545 -12.853 1.00 40.23 H new ATOM 0 HB2 LEU A 89 -3.042 -9.945 -11.414 1.00 35.55 H new ATOM 0 HB3 LEU A 89 -4.619 -10.327 -12.078 1.00 35.55 H new ATOM 0 HG LEU A 89 -3.265 -11.921 -9.856 1.00 34.10 H new ATOM 0 HD11 LEU A 89 -4.870 -10.832 -8.310 1.00 65.12 H new ATOM 0 HD12 LEU A 89 -3.766 -9.658 -9.065 1.00 65.12 H new ATOM 0 HD13 LEU A 89 -5.442 -9.804 -9.644 1.00 65.12 H new ATOM 0 HD21 LEU A 89 -5.501 -12.926 -9.486 1.00 42.24 H new ATOM 0 HD22 LEU A 89 -6.125 -12.038 -10.896 1.00 42.24 H new ATOM 0 HD23 LEU A 89 -4.867 -13.279 -11.111 1.00 42.24 H new ATOM 1468 N SER A 90 -1.620 -10.379 -14.128 1.00 63.32 N ATOM 1469 CA SER A 90 -1.197 -9.707 -15.378 1.00 24.45 C ATOM 1470 C SER A 90 -1.050 -10.739 -16.508 1.00 50.22 C ATOM 1471 O SER A 90 -1.484 -10.499 -17.641 1.00 45.00 O ATOM 1472 CB SER A 90 0.138 -8.955 -15.168 1.00 52.24 C ATOM 1473 OG SER A 90 0.564 -8.272 -16.337 1.00 24.23 O ATOM 0 H SER A 90 -0.925 -10.331 -13.383 1.00 63.32 H new ATOM 0 HA SER A 90 -1.962 -8.982 -15.656 1.00 24.45 H new ATOM 0 HB2 SER A 90 0.025 -8.240 -14.353 1.00 52.24 H new ATOM 0 HB3 SER A 90 0.908 -9.665 -14.864 1.00 52.24 H new ATOM 0 HG SER A 90 1.410 -7.811 -16.157 1.00 24.23 H new ATOM 1479 N SER A 91 -0.449 -11.899 -16.166 1.00 43.51 N ATOM 1480 CA SER A 91 -0.289 -13.022 -17.100 1.00 22.41 C ATOM 1481 C SER A 91 -1.671 -13.569 -17.518 1.00 63.31 C ATOM 1482 O SER A 91 -1.905 -13.797 -18.699 1.00 63.22 O ATOM 1483 CB SER A 91 0.568 -14.133 -16.455 1.00 0.03 C ATOM 1484 OG SER A 91 0.846 -15.181 -17.370 1.00 35.05 O ATOM 0 H SER A 91 -0.065 -12.078 -15.238 1.00 43.51 H new ATOM 0 HA SER A 91 0.224 -12.668 -17.994 1.00 22.41 H new ATOM 0 HB2 SER A 91 1.504 -13.707 -16.095 1.00 0.03 H new ATOM 0 HB3 SER A 91 0.047 -14.537 -15.587 1.00 0.03 H new ATOM 0 HG SER A 91 1.391 -15.865 -16.928 1.00 35.05 H new ATOM 1490 N LEU A 92 -2.592 -13.705 -16.531 1.00 5.22 N ATOM 1491 CA LEU A 92 -3.944 -14.275 -16.743 1.00 14.32 C ATOM 1492 C LEU A 92 -4.787 -13.401 -17.691 1.00 41.13 C ATOM 1493 O LEU A 92 -5.463 -13.925 -18.583 1.00 41.54 O ATOM 1494 CB LEU A 92 -4.664 -14.466 -15.380 1.00 15.01 C ATOM 1495 CG LEU A 92 -3.972 -15.460 -14.393 1.00 63.53 C ATOM 1496 CD1 LEU A 92 -4.711 -15.533 -13.043 1.00 44.21 C ATOM 1497 CD2 LEU A 92 -3.814 -16.856 -15.030 1.00 73.42 C ATOM 0 H LEU A 92 -2.417 -13.422 -15.567 1.00 5.22 H new ATOM 0 HA LEU A 92 -3.828 -15.249 -17.219 1.00 14.32 H new ATOM 0 HB2 LEU A 92 -4.747 -13.495 -14.893 1.00 15.01 H new ATOM 0 HB3 LEU A 92 -5.679 -14.816 -15.570 1.00 15.01 H new ATOM 0 HG LEU A 92 -2.973 -15.075 -14.188 1.00 63.53 H new ATOM 0 HD11 LEU A 92 -4.198 -16.235 -12.385 1.00 44.21 H new ATOM 0 HD12 LEU A 92 -4.724 -14.546 -12.581 1.00 44.21 H new ATOM 0 HD13 LEU A 92 -5.735 -15.870 -13.206 1.00 44.21 H new ATOM 0 HD21 LEU A 92 -3.330 -17.527 -14.321 1.00 73.42 H new ATOM 0 HD22 LEU A 92 -4.796 -17.251 -15.290 1.00 73.42 H new ATOM 0 HD23 LEU A 92 -3.204 -16.778 -15.930 1.00 73.42 H new ATOM 1509 N ILE A 93 -4.717 -12.067 -17.485 1.00 1.11 N ATOM 1510 CA ILE A 93 -5.328 -11.066 -18.388 1.00 14.11 C ATOM 1511 C ILE A 93 -4.687 -11.178 -19.785 1.00 43.41 C ATOM 1512 O ILE A 93 -5.380 -11.175 -20.797 1.00 20.43 O ATOM 1513 CB ILE A 93 -5.146 -9.591 -17.836 1.00 21.31 C ATOM 1514 CG1 ILE A 93 -5.841 -9.426 -16.448 1.00 52.42 C ATOM 1515 CG2 ILE A 93 -5.676 -8.527 -18.840 1.00 32.55 C ATOM 1516 CD1 ILE A 93 -5.530 -8.119 -15.731 1.00 2.21 C ATOM 0 H ILE A 93 -4.235 -11.654 -16.687 1.00 1.11 H new ATOM 0 HA ILE A 93 -6.397 -11.271 -18.447 1.00 14.11 H new ATOM 0 HB ILE A 93 -4.076 -9.424 -17.712 1.00 21.31 H new ATOM 0 HG12 ILE A 93 -6.920 -9.501 -16.586 1.00 52.42 H new ATOM 0 HG13 ILE A 93 -5.543 -10.256 -15.807 1.00 52.42 H new ATOM 0 HG21 ILE A 93 -5.532 -7.530 -18.423 1.00 32.55 H new ATOM 0 HG22 ILE A 93 -5.130 -8.610 -19.780 1.00 32.55 H new ATOM 0 HG23 ILE A 93 -6.738 -8.695 -19.021 1.00 32.55 H new ATOM 0 HD11 ILE A 93 -6.056 -8.093 -14.777 1.00 2.21 H new ATOM 0 HD12 ILE A 93 -4.457 -8.047 -15.556 1.00 2.21 H new ATOM 0 HD13 ILE A 93 -5.854 -7.280 -16.347 1.00 2.21 H new ATOM 1528 N GLY A 94 -3.351 -11.335 -19.798 1.00 11.14 N ATOM 1529 CA GLY A 94 -2.580 -11.420 -21.035 1.00 63.31 C ATOM 1530 C GLY A 94 -2.908 -12.646 -21.888 1.00 3.01 C ATOM 1531 O GLY A 94 -2.755 -12.597 -23.109 1.00 54.53 O ATOM 0 H GLY A 94 -2.785 -11.405 -18.952 1.00 11.14 H new ATOM 0 HA2 GLY A 94 -2.758 -10.521 -21.625 1.00 63.31 H new ATOM 0 HA3 GLY A 94 -1.518 -11.434 -20.789 1.00 63.31 H new ATOM 1535 N GLN A 95 -3.368 -13.742 -21.238 1.00 30.14 N ATOM 1536 CA GLN A 95 -3.707 -15.014 -21.921 1.00 12.31 C ATOM 1537 C GLN A 95 -5.162 -15.010 -22.448 1.00 64.03 C ATOM 1538 O GLN A 95 -5.409 -15.416 -23.593 1.00 73.10 O ATOM 1539 CB GLN A 95 -3.503 -16.227 -20.966 1.00 64.22 C ATOM 1540 CG GLN A 95 -2.068 -16.404 -20.407 1.00 65.54 C ATOM 1541 CD GLN A 95 -1.006 -16.686 -21.473 1.00 63.32 C ATOM 1542 OE1 GLN A 95 -0.400 -15.770 -22.030 1.00 33.34 O ATOM 1543 NE2 GLN A 95 -0.742 -17.955 -21.741 1.00 63.31 N ATOM 0 H GLN A 95 -3.514 -13.769 -20.229 1.00 30.14 H new ATOM 0 HA GLN A 95 -3.033 -15.108 -22.772 1.00 12.31 H new ATOM 0 HB2 GLN A 95 -4.191 -16.126 -20.127 1.00 64.22 H new ATOM 0 HB3 GLN A 95 -3.781 -17.137 -21.498 1.00 64.22 H new ATOM 0 HG2 GLN A 95 -1.789 -15.502 -19.863 1.00 65.54 H new ATOM 0 HG3 GLN A 95 -2.070 -17.223 -19.687 1.00 65.54 H new ATOM 0 HE21 GLN A 95 -1.259 -18.695 -21.265 1.00 63.31 H new ATOM 0 HE22 GLN A 95 -0.022 -18.193 -22.423 1.00 63.31 H new ATOM 1552 N VAL A 96 -6.120 -14.559 -21.610 1.00 64.50 N ATOM 1553 CA VAL A 96 -7.569 -14.640 -21.941 1.00 35.21 C ATOM 1554 C VAL A 96 -8.034 -13.436 -22.774 1.00 13.33 C ATOM 1555 O VAL A 96 -8.910 -13.573 -23.632 1.00 23.00 O ATOM 1556 CB VAL A 96 -8.476 -14.799 -20.654 1.00 13.00 C ATOM 1557 CG1 VAL A 96 -8.101 -16.080 -19.872 1.00 44.21 C ATOM 1558 CG2 VAL A 96 -8.433 -13.545 -19.736 1.00 62.22 C ATOM 0 H VAL A 96 -5.923 -14.136 -20.703 1.00 64.50 H new ATOM 0 HA VAL A 96 -7.688 -15.541 -22.543 1.00 35.21 H new ATOM 0 HB VAL A 96 -9.505 -14.895 -20.999 1.00 13.00 H new ATOM 0 HG11 VAL A 96 -8.737 -16.168 -18.992 1.00 44.21 H new ATOM 0 HG12 VAL A 96 -8.243 -16.951 -20.511 1.00 44.21 H new ATOM 0 HG13 VAL A 96 -7.058 -16.024 -19.561 1.00 44.21 H new ATOM 0 HG21 VAL A 96 -9.072 -13.707 -18.868 1.00 62.22 H new ATOM 0 HG22 VAL A 96 -7.409 -13.371 -19.405 1.00 62.22 H new ATOM 0 HG23 VAL A 96 -8.787 -12.676 -20.290 1.00 62.22 H new ATOM 1568 N LEU A 97 -7.446 -12.258 -22.526 1.00 73.13 N ATOM 1569 CA LEU A 97 -7.821 -11.024 -23.232 1.00 74.33 C ATOM 1570 C LEU A 97 -6.899 -10.872 -24.456 1.00 61.30 C ATOM 1571 O LEU A 97 -5.691 -10.636 -24.312 1.00 70.23 O ATOM 1572 CB LEU A 97 -7.714 -9.788 -22.261 1.00 42.42 C ATOM 1573 CG LEU A 97 -8.631 -8.533 -22.537 1.00 23.41 C ATOM 1574 CD1 LEU A 97 -8.365 -7.421 -21.497 1.00 44.00 C ATOM 1575 CD2 LEU A 97 -8.492 -7.976 -23.969 1.00 24.33 C ATOM 0 H LEU A 97 -6.704 -12.133 -21.837 1.00 73.13 H new ATOM 0 HA LEU A 97 -8.856 -11.073 -23.571 1.00 74.33 H new ATOM 0 HB2 LEU A 97 -7.928 -10.140 -21.252 1.00 42.42 H new ATOM 0 HB3 LEU A 97 -6.678 -9.450 -22.268 1.00 42.42 H new ATOM 0 HG LEU A 97 -9.659 -8.881 -22.439 1.00 23.41 H new ATOM 0 HD11 LEU A 97 -9.008 -6.566 -21.706 1.00 44.00 H new ATOM 0 HD12 LEU A 97 -8.578 -7.799 -20.497 1.00 44.00 H new ATOM 0 HD13 LEU A 97 -7.321 -7.113 -21.553 1.00 44.00 H new ATOM 0 HD21 LEU A 97 -9.150 -7.115 -24.090 1.00 24.33 H new ATOM 0 HD22 LEU A 97 -7.460 -7.671 -24.142 1.00 24.33 H new ATOM 0 HD23 LEU A 97 -8.768 -8.747 -24.688 1.00 24.33 H new ATOM 1587 N PHE A 98 -7.486 -11.037 -25.649 1.00 44.31 N ATOM 1588 CA PHE A 98 -6.835 -10.720 -26.921 1.00 25.51 C ATOM 1589 C PHE A 98 -7.147 -9.254 -27.228 1.00 33.30 C ATOM 1590 O PHE A 98 -8.210 -8.944 -27.752 1.00 21.23 O ATOM 1591 CB PHE A 98 -7.351 -11.651 -28.059 1.00 64.31 C ATOM 1592 CG PHE A 98 -7.197 -13.143 -27.767 1.00 14.03 C ATOM 1593 CD1 PHE A 98 -5.958 -13.761 -27.875 1.00 72.20 C ATOM 1594 CD2 PHE A 98 -8.293 -13.930 -27.395 1.00 44.52 C ATOM 1595 CE1 PHE A 98 -5.810 -15.110 -27.619 1.00 4.22 C ATOM 1596 CE2 PHE A 98 -8.145 -15.281 -27.136 1.00 13.44 C ATOM 1597 CZ PHE A 98 -6.903 -15.869 -27.248 1.00 62.33 C ATOM 0 H PHE A 98 -8.434 -11.398 -25.756 1.00 44.31 H new ATOM 0 HA PHE A 98 -5.759 -10.878 -26.853 1.00 25.51 H new ATOM 0 HB2 PHE A 98 -8.404 -11.435 -28.241 1.00 64.31 H new ATOM 0 HB3 PHE A 98 -6.814 -11.415 -28.978 1.00 64.31 H new ATOM 0 HD1 PHE A 98 -5.096 -13.177 -28.164 1.00 72.20 H new ATOM 0 HD2 PHE A 98 -9.269 -13.476 -27.309 1.00 44.52 H new ATOM 0 HE1 PHE A 98 -4.838 -15.572 -27.709 1.00 4.22 H new ATOM 0 HE2 PHE A 98 -9.000 -15.874 -26.847 1.00 13.44 H new ATOM 0 HZ PHE A 98 -6.785 -16.923 -27.046 1.00 62.33 H new ATOM 1607 N GLN A 99 -6.237 -8.350 -26.837 1.00 4.54 N ATOM 1608 CA GLN A 99 -6.444 -6.881 -26.934 1.00 22.54 C ATOM 1609 C GLN A 99 -6.256 -6.337 -28.367 1.00 70.31 C ATOM 1610 O GLN A 99 -6.266 -5.121 -28.570 1.00 10.45 O ATOM 1611 CB GLN A 99 -5.529 -6.141 -25.892 1.00 11.45 C ATOM 1612 CG GLN A 99 -4.084 -6.682 -25.731 1.00 22.44 C ATOM 1613 CD GLN A 99 -3.160 -6.534 -26.951 1.00 25.32 C ATOM 1614 OE1 GLN A 99 -2.282 -7.362 -27.172 1.00 30.30 O ATOM 1615 NE2 GLN A 99 -3.325 -5.488 -27.745 1.00 13.23 N ATOM 0 H GLN A 99 -5.332 -8.608 -26.443 1.00 4.54 H new ATOM 0 HA GLN A 99 -7.486 -6.677 -26.687 1.00 22.54 H new ATOM 0 HB2 GLN A 99 -5.470 -5.090 -26.176 1.00 11.45 H new ATOM 0 HB3 GLN A 99 -6.019 -6.181 -24.919 1.00 11.45 H new ATOM 0 HG2 GLN A 99 -3.620 -6.172 -24.887 1.00 22.44 H new ATOM 0 HG3 GLN A 99 -4.142 -7.739 -25.472 1.00 22.44 H new ATOM 0 HE21 GLN A 99 -4.060 -4.809 -27.547 1.00 13.23 H new ATOM 0 HE22 GLN A 99 -2.717 -5.361 -28.554 1.00 13.23 H new ATOM 1624 N GLY A 100 -6.089 -7.241 -29.346 1.00 34.14 N ATOM 1625 CA GLY A 100 -5.929 -6.858 -30.736 1.00 4.43 C ATOM 1626 C GLY A 100 -5.503 -8.045 -31.587 1.00 31.24 C ATOM 1627 O GLY A 100 -6.348 -8.645 -32.263 1.00 22.13 O ATOM 0 H GLY A 100 -6.063 -8.248 -29.186 1.00 34.14 H new ATOM 0 HA2 GLY A 100 -6.867 -6.453 -31.115 1.00 4.43 H new ATOM 0 HA3 GLY A 100 -5.185 -6.065 -30.814 1.00 4.43 H new ATOM 1631 N PRO A 101 -4.183 -8.436 -31.548 1.00 73.10 N ATOM 1632 CA PRO A 101 -3.669 -9.599 -32.311 1.00 42.44 C ATOM 1633 C PRO A 101 -4.213 -10.941 -31.765 1.00 60.32 C ATOM 1634 O PRO A 101 -4.636 -11.018 -30.597 1.00 31.13 O ATOM 1635 CB PRO A 101 -2.129 -9.483 -32.156 1.00 42.31 C ATOM 1636 CG PRO A 101 -1.925 -8.724 -30.875 1.00 42.51 C ATOM 1637 CD PRO A 101 -3.100 -7.770 -30.763 1.00 21.45 C ATOM 0 HA PRO A 101 -3.986 -9.590 -33.354 1.00 42.44 H new ATOM 0 HB2 PRO A 101 -1.661 -10.467 -32.111 1.00 42.31 H new ATOM 0 HB3 PRO A 101 -1.685 -8.957 -33.002 1.00 42.31 H new ATOM 0 HG2 PRO A 101 -1.889 -9.401 -30.022 1.00 42.51 H new ATOM 0 HG3 PRO A 101 -0.981 -8.180 -30.890 1.00 42.51 H new ATOM 0 HD2 PRO A 101 -3.395 -7.620 -29.724 1.00 21.45 H new ATOM 0 HD3 PRO A 101 -2.857 -6.789 -31.171 1.00 21.45 H new ATOM 1645 N SER A 102 -4.195 -11.977 -32.644 1.00 4.11 N ATOM 1646 CA SER A 102 -4.738 -13.331 -32.366 1.00 13.11 C ATOM 1647 C SER A 102 -6.272 -13.298 -32.168 1.00 31.20 C ATOM 1648 O SER A 102 -6.847 -14.152 -31.485 1.00 23.03 O ATOM 1649 CB SER A 102 -4.000 -13.986 -31.168 1.00 24.21 C ATOM 1650 OG SER A 102 -2.609 -14.106 -31.438 1.00 72.35 O ATOM 0 H SER A 102 -3.797 -11.893 -33.579 1.00 4.11 H new ATOM 0 HA SER A 102 -4.554 -13.957 -33.239 1.00 13.11 H new ATOM 0 HB2 SER A 102 -4.151 -13.387 -30.270 1.00 24.21 H new ATOM 0 HB3 SER A 102 -4.423 -14.971 -30.969 1.00 24.21 H new ATOM 0 HG SER A 102 -2.161 -14.519 -30.671 1.00 72.35 H new ATOM 1656 N ALA A 103 -6.926 -12.312 -32.809 1.00 24.10 N ATOM 1657 CA ALA A 103 -8.392 -12.172 -32.836 1.00 52.14 C ATOM 1658 C ALA A 103 -8.830 -11.807 -34.262 1.00 34.00 C ATOM 1659 O ALA A 103 -8.225 -10.934 -34.896 1.00 63.51 O ATOM 1660 CB ALA A 103 -8.852 -11.107 -31.819 1.00 20.43 C ATOM 0 H ALA A 103 -6.443 -11.580 -33.330 1.00 24.10 H new ATOM 0 HA ALA A 103 -8.858 -13.115 -32.552 1.00 52.14 H new ATOM 0 HB1 ALA A 103 -9.938 -11.017 -31.853 1.00 20.43 H new ATOM 0 HB2 ALA A 103 -8.543 -11.404 -30.817 1.00 20.43 H new ATOM 0 HB3 ALA A 103 -8.400 -10.147 -32.068 1.00 20.43 H new ATOM 1666 N GLY A 104 -9.874 -12.498 -34.761 1.00 52.12 N ATOM 1667 CA GLY A 104 -10.404 -12.265 -36.113 1.00 24.24 C ATOM 1668 C GLY A 104 -11.086 -10.910 -36.280 1.00 35.45 C ATOM 1669 O GLY A 104 -11.302 -10.457 -37.411 1.00 73.13 O ATOM 0 H GLY A 104 -10.367 -13.225 -34.242 1.00 52.12 H new ATOM 0 HA2 GLY A 104 -9.588 -12.342 -36.832 1.00 24.24 H new ATOM 0 HA3 GLY A 104 -11.117 -13.053 -36.355 1.00 24.24 H new ATOM 1673 N LEU A 105 -11.415 -10.262 -35.153 1.00 14.55 N ATOM 1674 CA LEU A 105 -12.046 -8.934 -35.117 1.00 22.32 C ATOM 1675 C LEU A 105 -11.316 -8.020 -34.112 1.00 64.33 C ATOM 1676 O LEU A 105 -10.503 -8.494 -33.308 1.00 73.44 O ATOM 1677 CB LEU A 105 -13.572 -9.088 -34.796 1.00 20.35 C ATOM 1678 CG LEU A 105 -13.981 -10.048 -33.604 1.00 72.43 C ATOM 1679 CD1 LEU A 105 -13.664 -9.463 -32.208 1.00 2.34 C ATOM 1680 CD2 LEU A 105 -15.466 -10.455 -33.704 1.00 63.44 C ATOM 0 H LEU A 105 -11.247 -10.652 -34.226 1.00 14.55 H new ATOM 0 HA LEU A 105 -11.962 -8.455 -36.093 1.00 22.32 H new ATOM 0 HB2 LEU A 105 -13.971 -8.097 -34.580 1.00 20.35 H new ATOM 0 HB3 LEU A 105 -14.070 -9.443 -35.698 1.00 20.35 H new ATOM 0 HG LEU A 105 -13.363 -10.940 -33.710 1.00 72.43 H new ATOM 0 HD11 LEU A 105 -13.970 -10.172 -31.438 1.00 2.34 H new ATOM 0 HD12 LEU A 105 -12.593 -9.278 -32.126 1.00 2.34 H new ATOM 0 HD13 LEU A 105 -14.206 -8.527 -32.074 1.00 2.34 H new ATOM 0 HD21 LEU A 105 -15.719 -11.114 -32.873 1.00 63.44 H new ATOM 0 HD22 LEU A 105 -16.091 -9.563 -33.664 1.00 63.44 H new ATOM 0 HD23 LEU A 105 -15.638 -10.976 -34.646 1.00 63.44 H new ATOM 1692 N VAL A 106 -11.598 -6.709 -34.189 1.00 41.55 N ATOM 1693 CA VAL A 106 -11.022 -5.701 -33.285 1.00 44.30 C ATOM 1694 C VAL A 106 -11.935 -5.544 -32.044 1.00 25.51 C ATOM 1695 O VAL A 106 -13.066 -5.057 -32.178 1.00 42.31 O ATOM 1696 CB VAL A 106 -10.831 -4.311 -34.011 1.00 23.34 C ATOM 1697 CG1 VAL A 106 -10.141 -3.273 -33.088 1.00 51.54 C ATOM 1698 CG2 VAL A 106 -10.045 -4.484 -35.335 1.00 70.11 C ATOM 0 H VAL A 106 -12.235 -6.317 -34.883 1.00 41.55 H new ATOM 0 HA VAL A 106 -10.035 -6.041 -32.972 1.00 44.30 H new ATOM 0 HB VAL A 106 -11.823 -3.927 -34.250 1.00 23.34 H new ATOM 0 HG11 VAL A 106 -10.027 -2.330 -33.622 1.00 51.54 H new ATOM 0 HG12 VAL A 106 -10.751 -3.115 -32.199 1.00 51.54 H new ATOM 0 HG13 VAL A 106 -9.159 -3.644 -32.793 1.00 51.54 H new ATOM 0 HG21 VAL A 106 -9.926 -3.514 -35.817 1.00 70.11 H new ATOM 0 HG22 VAL A 106 -9.063 -4.907 -35.123 1.00 70.11 H new ATOM 0 HG23 VAL A 106 -10.592 -5.154 -35.998 1.00 70.11 H new ATOM 1708 N PRO A 107 -11.470 -5.956 -30.820 1.00 30.42 N ATOM 1709 CA PRO A 107 -12.276 -5.890 -29.571 1.00 72.22 C ATOM 1710 C PRO A 107 -12.170 -4.505 -28.879 1.00 53.12 C ATOM 1711 O PRO A 107 -12.039 -4.413 -27.650 1.00 55.14 O ATOM 1712 CB PRO A 107 -11.628 -7.021 -28.731 1.00 4.11 C ATOM 1713 CG PRO A 107 -10.172 -6.959 -29.096 1.00 21.55 C ATOM 1714 CD PRO A 107 -10.116 -6.528 -30.552 1.00 14.15 C ATOM 0 HA PRO A 107 -13.348 -6.014 -29.726 1.00 72.22 H new ATOM 0 HB2 PRO A 107 -11.779 -6.861 -27.663 1.00 4.11 H new ATOM 0 HB3 PRO A 107 -12.058 -7.993 -28.972 1.00 4.11 H new ATOM 0 HG2 PRO A 107 -9.641 -6.250 -28.460 1.00 21.55 H new ATOM 0 HG3 PRO A 107 -9.695 -7.929 -28.959 1.00 21.55 H new ATOM 0 HD2 PRO A 107 -9.332 -5.789 -30.718 1.00 14.15 H new ATOM 0 HD3 PRO A 107 -9.903 -7.372 -31.209 1.00 14.15 H new ATOM 1722 N ARG A 108 -12.279 -3.439 -29.696 1.00 4.35 N ATOM 1723 CA ARG A 108 -12.161 -2.047 -29.247 1.00 2.14 C ATOM 1724 C ARG A 108 -13.445 -1.630 -28.499 1.00 23.32 C ATOM 1725 O ARG A 108 -14.409 -1.143 -29.103 1.00 12.01 O ATOM 1726 CB ARG A 108 -11.873 -1.142 -30.477 1.00 72.04 C ATOM 1727 CG ARG A 108 -11.623 0.347 -30.155 1.00 73.44 C ATOM 1728 CD ARG A 108 -11.271 1.166 -31.412 1.00 73.44 C ATOM 1729 NE ARG A 108 -9.992 0.735 -32.012 1.00 74.52 N ATOM 1730 CZ ARG A 108 -9.585 1.005 -33.263 1.00 63.51 C ATOM 1731 NH1 ARG A 108 -10.337 1.722 -34.094 1.00 31.13 N ATOM 1732 NH2 ARG A 108 -8.411 0.555 -33.672 1.00 43.11 N ATOM 0 H ARG A 108 -12.454 -3.527 -30.697 1.00 4.35 H new ATOM 0 HA ARG A 108 -11.332 -1.937 -28.548 1.00 2.14 H new ATOM 0 HB2 ARG A 108 -11.002 -1.535 -31.001 1.00 72.04 H new ATOM 0 HB3 ARG A 108 -12.716 -1.212 -31.164 1.00 72.04 H new ATOM 0 HG2 ARG A 108 -12.512 0.769 -29.686 1.00 73.44 H new ATOM 0 HG3 ARG A 108 -10.812 0.429 -29.432 1.00 73.44 H new ATOM 0 HD2 ARG A 108 -12.069 1.063 -32.147 1.00 73.44 H new ATOM 0 HD3 ARG A 108 -11.212 2.223 -31.151 1.00 73.44 H new ATOM 0 HE ARG A 108 -9.364 0.185 -31.426 1.00 74.52 H new ATOM 0 HH11 ARG A 108 -11.241 2.078 -33.785 1.00 31.13 H new ATOM 0 HH12 ARG A 108 -10.009 1.916 -35.040 1.00 31.13 H new ATOM 0 HH21 ARG A 108 -7.826 0.009 -33.040 1.00 43.11 H new ATOM 0 HH22 ARG A 108 -8.091 0.753 -34.620 1.00 43.11 H new ATOM 1746 N GLY A 109 -13.455 -1.890 -27.183 1.00 63.14 N ATOM 1747 CA GLY A 109 -14.620 -1.630 -26.336 1.00 33.12 C ATOM 1748 C GLY A 109 -14.224 -1.326 -24.899 1.00 51.44 C ATOM 1749 O GLY A 109 -13.717 -2.209 -24.199 1.00 1.53 O ATOM 0 H GLY A 109 -12.659 -2.284 -26.682 1.00 63.14 H new ATOM 0 HA2 GLY A 109 -15.183 -0.790 -26.742 1.00 33.12 H new ATOM 0 HA3 GLY A 109 -15.282 -2.496 -26.354 1.00 33.12 H new ATOM 1753 N SER A 110 -14.460 -0.074 -24.461 1.00 52.41 N ATOM 1754 CA SER A 110 -14.177 0.377 -23.083 1.00 72.45 C ATOM 1755 C SER A 110 -15.218 -0.177 -22.083 1.00 40.14 C ATOM 1756 O SER A 110 -14.996 -0.154 -20.865 1.00 74.13 O ATOM 1757 CB SER A 110 -14.145 1.924 -23.031 1.00 61.31 C ATOM 1758 OG SER A 110 -13.173 2.447 -23.928 1.00 74.15 O ATOM 0 H SER A 110 -14.854 0.656 -25.055 1.00 52.41 H new ATOM 0 HA SER A 110 -13.201 -0.011 -22.791 1.00 72.45 H new ATOM 0 HB2 SER A 110 -15.128 2.320 -23.285 1.00 61.31 H new ATOM 0 HB3 SER A 110 -13.921 2.252 -22.016 1.00 61.31 H new ATOM 0 HG SER A 110 -13.174 3.426 -23.877 1.00 74.15 H new ATOM 1764 N GLY A 111 -16.360 -0.652 -22.622 1.00 73.50 N ATOM 1765 CA GLY A 111 -17.378 -1.351 -21.836 1.00 32.14 C ATOM 1766 C GLY A 111 -16.958 -2.773 -21.474 1.00 53.23 C ATOM 1767 O GLY A 111 -17.477 -3.350 -20.505 1.00 53.44 O ATOM 0 H GLY A 111 -16.594 -0.559 -23.610 1.00 73.50 H new ATOM 0 HA2 GLY A 111 -17.577 -0.790 -20.923 1.00 32.14 H new ATOM 0 HA3 GLY A 111 -18.310 -1.383 -22.400 1.00 32.14 H new ATOM 1771 N GLY A 112 -16.020 -3.341 -22.264 1.00 74.42 N ATOM 1772 CA GLY A 112 -15.487 -4.687 -22.048 1.00 74.01 C ATOM 1773 C GLY A 112 -15.640 -5.573 -23.279 1.00 44.01 C ATOM 1774 O GLY A 112 -15.850 -5.069 -24.390 1.00 33.22 O ATOM 0 H GLY A 112 -15.615 -2.868 -23.072 1.00 74.42 H new ATOM 0 HA2 GLY A 112 -14.433 -4.619 -21.780 1.00 74.01 H new ATOM 0 HA3 GLY A 112 -16.001 -5.148 -21.205 1.00 74.01 H new ATOM 1778 N ILE A 113 -15.530 -6.896 -23.067 1.00 33.25 N ATOM 1779 CA ILE A 113 -15.607 -7.925 -24.124 1.00 74.12 C ATOM 1780 C ILE A 113 -17.061 -8.475 -24.185 1.00 24.24 C ATOM 1781 O ILE A 113 -17.863 -8.226 -23.279 1.00 61.44 O ATOM 1782 CB ILE A 113 -14.566 -9.115 -23.858 1.00 32.33 C ATOM 1783 CG1 ILE A 113 -13.112 -8.585 -23.545 1.00 63.44 C ATOM 1784 CG2 ILE A 113 -14.511 -10.112 -25.051 1.00 45.21 C ATOM 1785 CD1 ILE A 113 -12.871 -8.117 -22.111 1.00 23.22 C ATOM 0 H ILE A 113 -15.382 -7.290 -22.138 1.00 33.25 H new ATOM 0 HA ILE A 113 -15.342 -7.472 -25.080 1.00 74.12 H new ATOM 0 HB ILE A 113 -14.934 -9.640 -22.976 1.00 32.33 H new ATOM 0 HG12 ILE A 113 -12.399 -9.378 -23.773 1.00 63.44 H new ATOM 0 HG13 ILE A 113 -12.894 -7.757 -24.219 1.00 63.44 H new ATOM 0 HG21 ILE A 113 -13.794 -10.903 -24.831 1.00 45.21 H new ATOM 0 HG22 ILE A 113 -15.498 -10.549 -25.206 1.00 45.21 H new ATOM 0 HG23 ILE A 113 -14.203 -9.583 -25.953 1.00 45.21 H new ATOM 0 HD11 ILE A 113 -11.841 -7.774 -22.008 1.00 23.22 H new ATOM 0 HD12 ILE A 113 -13.551 -7.298 -21.876 1.00 23.22 H new ATOM 0 HD13 ILE A 113 -13.048 -8.944 -21.424 1.00 23.22 H new ATOM 1797 N GLU A 114 -17.406 -9.176 -25.275 1.00 14.24 N ATOM 1798 CA GLU A 114 -18.680 -9.914 -25.388 1.00 71.42 C ATOM 1799 C GLU A 114 -18.561 -11.293 -24.683 1.00 4.04 C ATOM 1800 O GLU A 114 -17.485 -11.902 -24.676 1.00 62.01 O ATOM 1801 CB GLU A 114 -19.057 -10.083 -26.886 1.00 60.35 C ATOM 1802 CG GLU A 114 -18.027 -10.871 -27.723 1.00 22.25 C ATOM 1803 CD GLU A 114 -18.352 -10.870 -29.222 1.00 15.22 C ATOM 1804 OE1 GLU A 114 -19.242 -11.630 -29.644 1.00 32.05 O ATOM 1805 OE2 GLU A 114 -17.729 -10.094 -29.983 1.00 55.52 O ATOM 0 H GLU A 114 -16.814 -9.249 -26.103 1.00 14.24 H new ATOM 0 HA GLU A 114 -19.472 -9.350 -24.895 1.00 71.42 H new ATOM 0 HB2 GLU A 114 -20.020 -10.589 -26.950 1.00 60.35 H new ATOM 0 HB3 GLU A 114 -19.186 -9.095 -27.328 1.00 60.35 H new ATOM 0 HG2 GLU A 114 -17.037 -10.441 -27.570 1.00 22.25 H new ATOM 0 HG3 GLU A 114 -17.986 -11.900 -27.366 1.00 22.25 H new ATOM 1812 N GLY A 115 -19.666 -11.755 -24.071 1.00 63.51 N ATOM 1813 CA GLY A 115 -19.719 -13.081 -23.428 1.00 53.13 C ATOM 1814 C GLY A 115 -19.248 -13.065 -21.973 1.00 1.01 C ATOM 1815 O GLY A 115 -19.009 -11.994 -21.399 1.00 41.04 O ATOM 0 H GLY A 115 -20.537 -11.228 -24.008 1.00 63.51 H new ATOM 0 HA2 GLY A 115 -20.742 -13.456 -23.468 1.00 53.13 H new ATOM 0 HA3 GLY A 115 -19.102 -13.778 -23.995 1.00 53.13 H new ATOM 1819 N SER A 428 -19.101 -14.269 -21.385 1.00 32.31 N ATOM 1820 CA SER A 428 -18.703 -14.453 -19.968 1.00 14.12 C ATOM 1821 C SER A 428 -17.174 -14.296 -19.772 1.00 61.04 C ATOM 1822 O SER A 428 -16.697 -14.165 -18.632 1.00 44.32 O ATOM 1823 CB SER A 428 -19.186 -15.841 -19.471 1.00 74.31 C ATOM 1824 OG SER A 428 -18.995 -15.994 -18.071 1.00 24.42 O ATOM 0 H SER A 428 -19.255 -15.148 -21.879 1.00 32.31 H new ATOM 0 HA SER A 428 -19.178 -13.672 -19.375 1.00 14.12 H new ATOM 0 HB2 SER A 428 -20.242 -15.966 -19.710 1.00 74.31 H new ATOM 0 HB3 SER A 428 -18.645 -16.625 -20.000 1.00 74.31 H new ATOM 0 HG SER A 428 -19.481 -15.288 -17.595 1.00 24.42 H new ATOM 1830 N ILE A 429 -16.408 -14.305 -20.893 1.00 33.03 N ATOM 1831 CA ILE A 429 -14.951 -14.007 -20.885 1.00 61.31 C ATOM 1832 C ILE A 429 -14.706 -12.560 -20.393 1.00 35.51 C ATOM 1833 O ILE A 429 -13.668 -12.263 -19.802 1.00 0.43 O ATOM 1834 CB ILE A 429 -14.292 -14.282 -22.308 1.00 30.12 C ATOM 1835 CG1 ILE A 429 -12.722 -14.042 -22.340 1.00 5.40 C ATOM 1836 CG2 ILE A 429 -15.006 -13.490 -23.423 1.00 31.24 C ATOM 1837 CD1 ILE A 429 -12.241 -12.624 -22.681 1.00 15.35 C ATOM 0 H ILE A 429 -16.778 -14.517 -21.820 1.00 33.03 H new ATOM 0 HA ILE A 429 -14.460 -14.683 -20.185 1.00 61.31 H new ATOM 0 HB ILE A 429 -14.434 -15.346 -22.500 1.00 30.12 H new ATOM 0 HG12 ILE A 429 -12.318 -14.311 -21.364 1.00 5.40 H new ATOM 0 HG13 ILE A 429 -12.289 -14.730 -23.065 1.00 5.40 H new ATOM 0 HG21 ILE A 429 -14.531 -13.701 -24.381 1.00 31.24 H new ATOM 0 HG22 ILE A 429 -16.054 -13.786 -23.465 1.00 31.24 H new ATOM 0 HG23 ILE A 429 -14.938 -12.423 -23.212 1.00 31.24 H new ATOM 0 HD11 ILE A 429 -11.151 -12.597 -22.669 1.00 15.35 H new ATOM 0 HD12 ILE A 429 -12.600 -12.347 -23.672 1.00 15.35 H new ATOM 0 HD13 ILE A 429 -12.630 -11.921 -21.944 1.00 15.35 H new ATOM 1849 N ASP A 430 -15.702 -11.676 -20.615 1.00 64.32 N ATOM 1850 CA ASP A 430 -15.702 -10.312 -20.070 1.00 34.24 C ATOM 1851 C ASP A 430 -15.651 -10.329 -18.531 1.00 62.52 C ATOM 1852 O ASP A 430 -14.912 -9.555 -17.922 1.00 2.04 O ATOM 1853 CB ASP A 430 -16.956 -9.560 -20.547 1.00 52.54 C ATOM 1854 CG ASP A 430 -17.085 -8.157 -19.938 1.00 11.54 C ATOM 1855 OD1 ASP A 430 -16.179 -7.334 -20.156 1.00 43.54 O ATOM 1856 OD2 ASP A 430 -18.089 -7.869 -19.243 1.00 71.02 O ATOM 0 H ASP A 430 -16.525 -11.893 -21.177 1.00 64.32 H new ATOM 0 HA ASP A 430 -14.811 -9.799 -20.432 1.00 34.24 H new ATOM 0 HB2 ASP A 430 -16.931 -9.477 -21.634 1.00 52.54 H new ATOM 0 HB3 ASP A 430 -17.841 -10.143 -20.292 1.00 52.54 H new ATOM 1861 N GLU A 431 -16.448 -11.238 -17.927 1.00 3.42 N ATOM 1862 CA GLU A 431 -16.511 -11.410 -16.465 1.00 24.33 C ATOM 1863 C GLU A 431 -15.190 -11.983 -15.927 1.00 44.34 C ATOM 1864 O GLU A 431 -14.763 -11.613 -14.842 1.00 34.44 O ATOM 1865 CB GLU A 431 -17.698 -12.323 -16.070 1.00 60.33 C ATOM 1866 CG GLU A 431 -19.074 -11.801 -16.527 1.00 4.24 C ATOM 1867 CD GLU A 431 -20.226 -12.691 -16.055 1.00 5.00 C ATOM 1868 OE1 GLU A 431 -20.542 -13.684 -16.743 1.00 42.34 O ATOM 1869 OE2 GLU A 431 -20.795 -12.428 -14.974 1.00 71.42 O ATOM 0 H GLU A 431 -17.063 -11.870 -18.441 1.00 3.42 H new ATOM 0 HA GLU A 431 -16.668 -10.429 -16.016 1.00 24.33 H new ATOM 0 HB2 GLU A 431 -17.538 -13.313 -16.496 1.00 60.33 H new ATOM 0 HB3 GLU A 431 -17.707 -12.440 -14.986 1.00 60.33 H new ATOM 0 HG2 GLU A 431 -19.220 -10.790 -16.146 1.00 4.24 H new ATOM 0 HG3 GLU A 431 -19.091 -11.737 -17.615 1.00 4.24 H new ATOM 1876 N THR A 432 -14.559 -12.875 -16.719 1.00 61.23 N ATOM 1877 CA THR A 432 -13.227 -13.448 -16.421 1.00 2.12 C ATOM 1878 C THR A 432 -12.174 -12.324 -16.254 1.00 73.05 C ATOM 1879 O THR A 432 -11.469 -12.242 -15.232 1.00 52.54 O ATOM 1880 CB THR A 432 -12.794 -14.411 -17.581 1.00 12.44 C ATOM 1881 OG1 THR A 432 -13.843 -15.355 -17.852 1.00 65.22 O ATOM 1882 CG2 THR A 432 -11.488 -15.159 -17.263 1.00 15.22 C ATOM 0 H THR A 432 -14.961 -13.221 -17.590 1.00 61.23 H new ATOM 0 HA THR A 432 -13.290 -14.007 -15.487 1.00 2.12 H new ATOM 0 HB THR A 432 -12.611 -13.796 -18.462 1.00 12.44 H new ATOM 0 HG1 THR A 432 -13.566 -15.952 -18.578 1.00 65.22 H new ATOM 0 HG21 THR A 432 -11.231 -15.813 -18.097 1.00 15.22 H new ATOM 0 HG22 THR A 432 -10.685 -14.439 -17.106 1.00 15.22 H new ATOM 0 HG23 THR A 432 -11.621 -15.756 -16.361 1.00 15.22 H new ATOM 1890 N VAL A 433 -12.123 -11.456 -17.280 1.00 50.12 N ATOM 1891 CA VAL A 433 -11.277 -10.256 -17.308 1.00 63.52 C ATOM 1892 C VAL A 433 -11.648 -9.297 -16.158 1.00 32.11 C ATOM 1893 O VAL A 433 -10.766 -8.706 -15.559 1.00 51.03 O ATOM 1894 CB VAL A 433 -11.387 -9.525 -18.701 1.00 0.22 C ATOM 1895 CG1 VAL A 433 -10.646 -8.163 -18.707 1.00 4.24 C ATOM 1896 CG2 VAL A 433 -10.870 -10.438 -19.842 1.00 2.24 C ATOM 0 H VAL A 433 -12.680 -11.574 -18.127 1.00 50.12 H new ATOM 0 HA VAL A 433 -10.242 -10.569 -17.169 1.00 63.52 H new ATOM 0 HB VAL A 433 -12.443 -9.316 -18.873 1.00 0.22 H new ATOM 0 HG11 VAL A 433 -10.750 -7.697 -19.687 1.00 4.24 H new ATOM 0 HG12 VAL A 433 -11.077 -7.511 -17.947 1.00 4.24 H new ATOM 0 HG13 VAL A 433 -9.590 -8.323 -18.491 1.00 4.24 H new ATOM 0 HG21 VAL A 433 -10.955 -9.914 -20.794 1.00 2.24 H new ATOM 0 HG22 VAL A 433 -9.826 -10.692 -19.660 1.00 2.24 H new ATOM 0 HG23 VAL A 433 -11.465 -11.351 -19.876 1.00 2.24 H new ATOM 1906 N ALA A 434 -12.955 -9.194 -15.836 1.00 45.45 N ATOM 1907 CA ALA A 434 -13.451 -8.315 -14.759 1.00 62.44 C ATOM 1908 C ALA A 434 -12.898 -8.749 -13.392 1.00 73.14 C ATOM 1909 O ALA A 434 -12.549 -7.896 -12.579 1.00 62.24 O ATOM 1910 CB ALA A 434 -14.987 -8.277 -14.737 1.00 0.42 C ATOM 0 H ALA A 434 -13.691 -9.715 -16.313 1.00 45.45 H new ATOM 0 HA ALA A 434 -13.092 -7.307 -14.965 1.00 62.44 H new ATOM 0 HB1 ALA A 434 -15.323 -7.622 -13.934 1.00 0.42 H new ATOM 0 HB2 ALA A 434 -15.355 -7.900 -15.691 1.00 0.42 H new ATOM 0 HB3 ALA A 434 -15.373 -9.283 -14.571 1.00 0.42 H new ATOM 1916 N ARG A 435 -12.791 -10.083 -13.173 1.00 42.24 N ATOM 1917 CA ARG A 435 -12.253 -10.646 -11.918 1.00 64.30 C ATOM 1918 C ARG A 435 -10.764 -10.294 -11.778 1.00 71.22 C ATOM 1919 O ARG A 435 -10.347 -9.676 -10.786 1.00 51.13 O ATOM 1920 CB ARG A 435 -12.425 -12.200 -11.865 1.00 71.24 C ATOM 1921 CG ARG A 435 -13.869 -12.714 -12.071 1.00 62.21 C ATOM 1922 CD ARG A 435 -14.895 -12.029 -11.153 1.00 10.44 C ATOM 1923 NE ARG A 435 -16.279 -12.463 -11.410 1.00 4.42 N ATOM 1924 CZ ARG A 435 -17.377 -11.755 -11.086 1.00 10.11 C ATOM 1925 NH1 ARG A 435 -17.276 -10.563 -10.485 1.00 4.51 N ATOM 1926 NH2 ARG A 435 -18.574 -12.243 -11.364 1.00 71.51 N ATOM 0 H ARG A 435 -13.072 -10.788 -13.854 1.00 42.24 H new ATOM 0 HA ARG A 435 -12.816 -10.210 -11.093 1.00 64.30 H new ATOM 0 HB2 ARG A 435 -11.786 -12.646 -12.628 1.00 71.24 H new ATOM 0 HB3 ARG A 435 -12.065 -12.556 -10.900 1.00 71.24 H new ATOM 0 HG2 ARG A 435 -14.159 -12.556 -13.110 1.00 62.21 H new ATOM 0 HG3 ARG A 435 -13.893 -13.789 -11.893 1.00 62.21 H new ATOM 0 HD2 ARG A 435 -14.641 -12.239 -10.114 1.00 10.44 H new ATOM 0 HD3 ARG A 435 -14.828 -10.949 -11.285 1.00 10.44 H new ATOM 0 HE ARG A 435 -16.415 -13.365 -11.866 1.00 4.42 H new ATOM 0 HH11 ARG A 435 -16.357 -10.179 -10.266 1.00 4.51 H new ATOM 0 HH12 ARG A 435 -18.118 -10.039 -10.246 1.00 4.51 H new ATOM 0 HH21 ARG A 435 -18.661 -13.151 -11.821 1.00 71.51 H new ATOM 0 HH22 ARG A 435 -19.410 -11.712 -11.121 1.00 71.51 H new ATOM 1940 N TYR A 436 -9.985 -10.669 -12.813 1.00 75.21 N ATOM 1941 CA TYR A 436 -8.520 -10.528 -12.803 1.00 63.22 C ATOM 1942 C TYR A 436 -8.086 -9.067 -12.794 1.00 43.14 C ATOM 1943 O TYR A 436 -7.178 -8.711 -12.058 1.00 62.52 O ATOM 1944 CB TYR A 436 -7.883 -11.263 -14.005 1.00 23.32 C ATOM 1945 CG TYR A 436 -8.119 -12.775 -14.004 1.00 62.30 C ATOM 1946 CD1 TYR A 436 -8.057 -13.508 -12.813 1.00 35.34 C ATOM 1947 CD2 TYR A 436 -8.387 -13.468 -15.183 1.00 31.51 C ATOM 1948 CE1 TYR A 436 -8.257 -14.867 -12.803 1.00 42.53 C ATOM 1949 CE2 TYR A 436 -8.588 -14.829 -15.172 1.00 54.22 C ATOM 1950 CZ TYR A 436 -8.521 -15.527 -13.981 1.00 12.54 C ATOM 1951 OH TYR A 436 -8.707 -16.893 -13.969 1.00 23.25 O ATOM 0 H TYR A 436 -10.354 -11.075 -13.673 1.00 75.21 H new ATOM 0 HA TYR A 436 -8.166 -10.987 -11.880 1.00 63.22 H new ATOM 0 HB2 TYR A 436 -8.283 -10.843 -14.928 1.00 23.32 H new ATOM 0 HB3 TYR A 436 -6.810 -11.073 -14.007 1.00 23.32 H new ATOM 0 HD1 TYR A 436 -7.848 -12.996 -11.885 1.00 35.34 H new ATOM 0 HD2 TYR A 436 -8.438 -12.929 -16.118 1.00 31.51 H new ATOM 0 HE1 TYR A 436 -8.207 -15.415 -11.874 1.00 42.53 H new ATOM 0 HE2 TYR A 436 -8.798 -15.352 -16.093 1.00 54.22 H new ATOM 0 HH TYR A 436 -8.885 -17.207 -14.880 1.00 23.25 H new ATOM 1961 N LYS A 437 -8.767 -8.232 -13.599 1.00 55.00 N ATOM 1962 CA LYS A 437 -8.405 -6.817 -13.769 1.00 52.43 C ATOM 1963 C LYS A 437 -8.847 -5.993 -12.559 1.00 43.35 C ATOM 1964 O LYS A 437 -8.225 -4.983 -12.258 1.00 32.44 O ATOM 1965 CB LYS A 437 -8.991 -6.215 -15.077 1.00 21.52 C ATOM 1966 CG LYS A 437 -8.387 -4.837 -15.435 1.00 1.02 C ATOM 1967 CD LYS A 437 -9.042 -4.169 -16.655 1.00 41.00 C ATOM 1968 CE LYS A 437 -8.394 -2.809 -16.970 1.00 62.53 C ATOM 1969 NZ LYS A 437 -8.475 -1.866 -15.821 1.00 11.51 N ATOM 0 H LYS A 437 -9.579 -8.519 -14.146 1.00 55.00 H new ATOM 0 HA LYS A 437 -7.319 -6.774 -13.847 1.00 52.43 H new ATOM 0 HB2 LYS A 437 -8.814 -6.908 -15.900 1.00 21.52 H new ATOM 0 HB3 LYS A 437 -10.071 -6.115 -14.972 1.00 21.52 H new ATOM 0 HG2 LYS A 437 -8.483 -4.174 -14.575 1.00 1.02 H new ATOM 0 HG3 LYS A 437 -7.321 -4.957 -15.627 1.00 1.02 H new ATOM 0 HD2 LYS A 437 -8.953 -4.825 -17.521 1.00 41.00 H new ATOM 0 HD3 LYS A 437 -10.107 -4.031 -16.467 1.00 41.00 H new ATOM 0 HE2 LYS A 437 -7.349 -2.961 -17.240 1.00 62.53 H new ATOM 0 HE3 LYS A 437 -8.886 -2.366 -17.836 1.00 62.53 H new ATOM 0 HZ1 LYS A 437 -8.134 -0.929 -16.116 1.00 11.51 H new ATOM 0 HZ2 LYS A 437 -9.462 -1.791 -15.502 1.00 11.51 H new ATOM 0 HZ3 LYS A 437 -7.885 -2.218 -15.040 1.00 11.51 H new ATOM 1983 N ALA A 438 -9.924 -6.423 -11.871 1.00 61.40 N ATOM 1984 CA ALA A 438 -10.318 -5.811 -10.593 1.00 62.12 C ATOM 1985 C ALA A 438 -9.185 -5.981 -9.577 1.00 41.24 C ATOM 1986 O ALA A 438 -8.583 -4.999 -9.146 1.00 44.12 O ATOM 1987 CB ALA A 438 -11.614 -6.426 -10.059 1.00 64.34 C ATOM 0 H ALA A 438 -10.529 -7.185 -12.178 1.00 61.40 H new ATOM 0 HA ALA A 438 -10.502 -4.749 -10.757 1.00 62.12 H new ATOM 0 HB1 ALA A 438 -11.879 -5.953 -9.113 1.00 64.34 H new ATOM 0 HB2 ALA A 438 -12.416 -6.269 -10.781 1.00 64.34 H new ATOM 0 HB3 ALA A 438 -11.472 -7.495 -9.902 1.00 64.34 H new ATOM 1993 N GLN A 439 -8.835 -7.251 -9.303 1.00 45.42 N ATOM 1994 CA GLN A 439 -7.820 -7.601 -8.295 1.00 35.21 C ATOM 1995 C GLN A 439 -6.435 -7.026 -8.682 1.00 52.34 C ATOM 1996 O GLN A 439 -5.690 -6.554 -7.818 1.00 64.42 O ATOM 1997 CB GLN A 439 -7.764 -9.142 -8.121 1.00 34.12 C ATOM 1998 CG GLN A 439 -9.105 -9.803 -7.724 1.00 11.12 C ATOM 1999 CD GLN A 439 -9.677 -9.290 -6.398 1.00 14.21 C ATOM 2000 OE1 GLN A 439 -9.389 -9.828 -5.330 1.00 63.51 O ATOM 2001 NE2 GLN A 439 -10.506 -8.255 -6.460 1.00 1.14 N ATOM 0 H GLN A 439 -9.246 -8.059 -9.772 1.00 45.42 H new ATOM 0 HA GLN A 439 -8.100 -7.155 -7.341 1.00 35.21 H new ATOM 0 HB2 GLN A 439 -7.420 -9.586 -9.055 1.00 34.12 H new ATOM 0 HB3 GLN A 439 -7.020 -9.380 -7.361 1.00 34.12 H new ATOM 0 HG2 GLN A 439 -9.834 -9.629 -8.515 1.00 11.12 H new ATOM 0 HG3 GLN A 439 -8.962 -10.881 -7.655 1.00 11.12 H new ATOM 0 HE21 GLN A 439 -10.725 -7.830 -7.361 1.00 1.14 H new ATOM 0 HE22 GLN A 439 -10.924 -7.884 -5.606 1.00 1.14 H new ATOM 2010 N PHE A 440 -6.146 -7.010 -10.004 1.00 31.32 N ATOM 2011 CA PHE A 440 -4.882 -6.488 -10.543 1.00 61.43 C ATOM 2012 C PHE A 440 -4.807 -4.965 -10.345 1.00 54.11 C ATOM 2013 O PHE A 440 -4.010 -4.512 -9.546 1.00 70.44 O ATOM 2014 CB PHE A 440 -4.725 -6.852 -12.051 1.00 3.04 C ATOM 2015 CG PHE A 440 -3.474 -6.279 -12.718 1.00 41.20 C ATOM 2016 CD1 PHE A 440 -2.211 -6.775 -12.402 1.00 33.34 C ATOM 2017 CD2 PHE A 440 -3.553 -5.221 -13.636 1.00 14.22 C ATOM 2018 CE1 PHE A 440 -1.074 -6.244 -12.977 1.00 33.23 C ATOM 2019 CE2 PHE A 440 -2.414 -4.699 -14.213 1.00 43.03 C ATOM 2020 CZ PHE A 440 -1.174 -5.205 -13.878 1.00 70.31 C ATOM 0 H PHE A 440 -6.784 -7.359 -10.719 1.00 31.32 H new ATOM 0 HA PHE A 440 -4.061 -6.953 -9.998 1.00 61.43 H new ATOM 0 HB2 PHE A 440 -4.708 -7.937 -12.149 1.00 3.04 H new ATOM 0 HB3 PHE A 440 -5.603 -6.497 -12.590 1.00 3.04 H new ATOM 0 HD1 PHE A 440 -2.120 -7.587 -11.696 1.00 33.34 H new ATOM 0 HD2 PHE A 440 -4.518 -4.810 -13.894 1.00 14.22 H new ATOM 0 HE1 PHE A 440 -0.104 -6.643 -12.721 1.00 33.23 H new ATOM 0 HE2 PHE A 440 -2.492 -3.893 -14.928 1.00 43.03 H new ATOM 0 HZ PHE A 440 -0.282 -4.787 -14.322 1.00 70.31 H new ATOM 2030 N THR A 441 -5.718 -4.213 -11.010 1.00 14.11 N ATOM 2031 CA THR A 441 -5.690 -2.727 -11.082 1.00 73.34 C ATOM 2032 C THR A 441 -5.742 -2.071 -9.680 1.00 62.44 C ATOM 2033 O THR A 441 -5.123 -1.021 -9.458 1.00 4.42 O ATOM 2034 CB THR A 441 -6.869 -2.203 -11.981 1.00 62.34 C ATOM 2035 OG1 THR A 441 -6.743 -2.755 -13.306 1.00 31.24 O ATOM 2036 CG2 THR A 441 -6.927 -0.663 -12.082 1.00 52.02 C ATOM 0 H THR A 441 -6.502 -4.623 -11.517 1.00 14.11 H new ATOM 0 HA THR A 441 -4.740 -2.441 -11.534 1.00 73.34 H new ATOM 0 HB THR A 441 -7.793 -2.528 -11.503 1.00 62.34 H new ATOM 0 HG1 THR A 441 -6.342 -2.088 -13.901 1.00 31.24 H new ATOM 0 HG21 THR A 441 -7.764 -0.371 -12.717 1.00 52.02 H new ATOM 0 HG22 THR A 441 -7.061 -0.238 -11.087 1.00 52.02 H new ATOM 0 HG23 THR A 441 -5.997 -0.291 -12.513 1.00 52.02 H new ATOM 2044 N GLN A 442 -6.457 -2.718 -8.747 1.00 15.41 N ATOM 2045 CA GLN A 442 -6.590 -2.246 -7.357 1.00 71.33 C ATOM 2046 C GLN A 442 -5.282 -2.482 -6.566 1.00 63.12 C ATOM 2047 O GLN A 442 -4.724 -1.539 -6.007 1.00 14.11 O ATOM 2048 CB GLN A 442 -7.787 -2.944 -6.683 1.00 43.22 C ATOM 2049 CG GLN A 442 -9.162 -2.593 -7.302 1.00 22.30 C ATOM 2050 CD GLN A 442 -10.308 -3.486 -6.809 1.00 1.12 C ATOM 2051 OE1 GLN A 442 -10.025 -4.767 -6.584 1.00 74.14 O flip ATOM 2052 NE2 GLN A 442 -11.454 -3.045 -6.684 1.00 73.34 N flip ATOM 0 H GLN A 442 -6.961 -3.585 -8.934 1.00 15.41 H new ATOM 0 HA GLN A 442 -6.775 -1.172 -7.364 1.00 71.33 H new ATOM 0 HB2 GLN A 442 -7.642 -4.023 -6.739 1.00 43.22 H new ATOM 0 HB3 GLN A 442 -7.799 -2.678 -5.626 1.00 43.22 H new ATOM 0 HG2 GLN A 442 -9.399 -1.554 -7.073 1.00 22.30 H new ATOM 0 HG3 GLN A 442 -9.093 -2.672 -8.387 1.00 22.30 H new ATOM 0 HE21 GLN A 442 -11.643 -2.059 -6.863 1.00 73.34 H new ATOM 0 HE22 GLN A 442 -12.212 -3.667 -6.402 1.00 73.34 H new ATOM 2061 N LEU A 443 -4.767 -3.739 -6.563 1.00 53.13 N ATOM 2062 CA LEU A 443 -3.462 -4.061 -5.909 1.00 72.52 C ATOM 2063 C LEU A 443 -2.280 -3.346 -6.625 1.00 32.22 C ATOM 2064 O LEU A 443 -1.211 -3.177 -6.039 1.00 43.10 O ATOM 2065 CB LEU A 443 -3.222 -5.613 -5.846 1.00 51.21 C ATOM 2066 CG LEU A 443 -3.913 -6.420 -4.681 1.00 41.12 C ATOM 2067 CD1 LEU A 443 -5.443 -6.243 -4.647 1.00 63.30 C ATOM 2068 CD2 LEU A 443 -3.537 -7.920 -4.765 1.00 62.22 C ATOM 0 H LEU A 443 -5.225 -4.539 -6.999 1.00 53.13 H new ATOM 0 HA LEU A 443 -3.509 -3.688 -4.886 1.00 72.52 H new ATOM 0 HB2 LEU A 443 -3.554 -6.041 -6.792 1.00 51.21 H new ATOM 0 HB3 LEU A 443 -2.147 -5.783 -5.779 1.00 51.21 H new ATOM 0 HG LEU A 443 -3.535 -6.006 -3.746 1.00 41.12 H new ATOM 0 HD11 LEU A 443 -5.858 -6.823 -3.823 1.00 63.30 H new ATOM 0 HD12 LEU A 443 -5.684 -5.189 -4.506 1.00 63.30 H new ATOM 0 HD13 LEU A 443 -5.870 -6.591 -5.587 1.00 63.30 H new ATOM 0 HD21 LEU A 443 -4.022 -8.463 -3.954 1.00 62.22 H new ATOM 0 HD22 LEU A 443 -3.868 -8.325 -5.721 1.00 62.22 H new ATOM 0 HD23 LEU A 443 -2.456 -8.029 -4.679 1.00 62.22 H new ATOM 2080 N ASP A 444 -2.509 -2.933 -7.889 1.00 31.21 N ATOM 2081 CA ASP A 444 -1.513 -2.270 -8.754 1.00 41.50 C ATOM 2082 C ASP A 444 -1.392 -0.778 -8.413 1.00 35.12 C ATOM 2083 O ASP A 444 -0.276 -0.260 -8.308 1.00 14.42 O ATOM 2084 CB ASP A 444 -1.897 -2.464 -10.246 1.00 71.45 C ATOM 2085 CG ASP A 444 -0.982 -1.719 -11.228 1.00 62.53 C ATOM 2086 OD1 ASP A 444 -1.331 -0.597 -11.655 1.00 12.34 O ATOM 2087 OD2 ASP A 444 0.086 -2.262 -11.592 1.00 75.54 O ATOM 0 H ASP A 444 -3.413 -3.054 -8.346 1.00 31.21 H new ATOM 0 HA ASP A 444 -0.540 -2.729 -8.578 1.00 41.50 H new ATOM 0 HB2 ASP A 444 -1.875 -3.528 -10.481 1.00 71.45 H new ATOM 0 HB3 ASP A 444 -2.923 -2.126 -10.393 1.00 71.45 H new ATOM 2092 N THR A 445 -2.547 -0.085 -8.256 1.00 44.12 N ATOM 2093 CA THR A 445 -2.558 1.323 -7.819 1.00 51.51 C ATOM 2094 C THR A 445 -2.065 1.415 -6.371 1.00 53.43 C ATOM 2095 O THR A 445 -1.321 2.337 -6.021 1.00 34.33 O ATOM 2096 CB THR A 445 -3.953 2.030 -7.982 1.00 63.34 C ATOM 2097 OG1 THR A 445 -3.836 3.421 -7.631 1.00 34.03 O ATOM 2098 CG2 THR A 445 -5.082 1.390 -7.150 1.00 4.41 C ATOM 0 H THR A 445 -3.473 -0.479 -8.425 1.00 44.12 H new ATOM 0 HA THR A 445 -1.881 1.864 -8.480 1.00 51.51 H new ATOM 0 HB THR A 445 -4.232 1.910 -9.029 1.00 63.34 H new ATOM 0 HG1 THR A 445 -4.706 3.859 -7.735 1.00 34.03 H new ATOM 0 HG21 THR A 445 -6.011 1.935 -7.317 1.00 4.41 H new ATOM 0 HG22 THR A 445 -5.212 0.351 -7.451 1.00 4.41 H new ATOM 0 HG23 THR A 445 -4.823 1.431 -6.092 1.00 4.41 H new ATOM 2106 N MET A 446 -2.442 0.399 -5.560 1.00 53.00 N ATOM 2107 CA MET A 446 -1.966 0.255 -4.187 1.00 3.01 C ATOM 2108 C MET A 446 -0.439 0.119 -4.182 1.00 31.00 C ATOM 2109 O MET A 446 0.217 0.766 -3.385 1.00 4.21 O ATOM 2110 CB MET A 446 -2.610 -0.969 -3.479 1.00 21.21 C ATOM 2111 CG MET A 446 -2.231 -1.087 -1.988 1.00 73.33 C ATOM 2112 SD MET A 446 -2.897 -2.552 -1.173 1.00 61.23 S ATOM 2113 CE MET A 446 -2.301 -2.311 0.506 1.00 63.33 C ATOM 0 H MET A 446 -3.085 -0.338 -5.850 1.00 53.00 H new ATOM 0 HA MET A 446 -2.259 1.148 -3.635 1.00 3.01 H new ATOM 0 HB2 MET A 446 -3.694 -0.900 -3.566 1.00 21.21 H new ATOM 0 HB3 MET A 446 -2.306 -1.879 -3.996 1.00 21.21 H new ATOM 0 HG2 MET A 446 -1.145 -1.098 -1.900 1.00 73.33 H new ATOM 0 HG3 MET A 446 -2.585 -0.200 -1.463 1.00 73.33 H new ATOM 0 HE1 MET A 446 -1.708 -3.174 0.809 1.00 63.33 H new ATOM 0 HE2 MET A 446 -1.684 -1.414 0.548 1.00 63.33 H new ATOM 0 HE3 MET A 446 -3.150 -2.199 1.181 1.00 63.33 H new ATOM 2123 N MET A 447 0.100 -0.695 -5.127 1.00 12.14 N ATOM 2124 CA MET A 447 1.545 -1.004 -5.216 1.00 13.02 C ATOM 2125 C MET A 447 2.388 0.205 -5.618 1.00 13.43 C ATOM 2126 O MET A 447 3.385 0.500 -4.951 1.00 44.00 O ATOM 2127 CB MET A 447 1.822 -2.175 -6.186 1.00 11.52 C ATOM 2128 CG MET A 447 3.334 -2.478 -6.418 1.00 55.34 C ATOM 2129 SD MET A 447 3.677 -4.234 -6.550 1.00 1.32 S ATOM 2130 CE MET A 447 3.151 -4.773 -4.927 1.00 63.35 C ATOM 0 H MET A 447 -0.458 -1.154 -5.847 1.00 12.14 H new ATOM 0 HA MET A 447 1.842 -1.298 -4.209 1.00 13.02 H new ATOM 0 HB2 MET A 447 1.340 -3.073 -5.799 1.00 11.52 H new ATOM 0 HB3 MET A 447 1.357 -1.952 -7.147 1.00 11.52 H new ATOM 0 HG2 MET A 447 3.665 -1.978 -7.328 1.00 55.34 H new ATOM 0 HG3 MET A 447 3.914 -2.060 -5.596 1.00 55.34 H new ATOM 0 HE1 MET A 447 3.737 -5.641 -4.624 1.00 63.35 H new ATOM 0 HE2 MET A 447 3.300 -3.966 -4.210 1.00 63.35 H new ATOM 0 HE3 MET A 447 2.095 -5.041 -4.957 1.00 63.35 H new ATOM 2140 N SER A 448 1.994 0.881 -6.714 1.00 13.44 N ATOM 2141 CA SER A 448 2.719 2.062 -7.228 1.00 10.42 C ATOM 2142 C SER A 448 2.789 3.159 -6.149 1.00 32.12 C ATOM 2143 O SER A 448 3.843 3.792 -5.942 1.00 12.01 O ATOM 2144 CB SER A 448 2.030 2.586 -8.504 1.00 24.00 C ATOM 2145 OG SER A 448 0.659 2.868 -8.272 1.00 44.40 O ATOM 0 H SER A 448 1.173 0.629 -7.264 1.00 13.44 H new ATOM 0 HA SER A 448 3.739 1.773 -7.480 1.00 10.42 H new ATOM 0 HB2 SER A 448 2.536 3.488 -8.848 1.00 24.00 H new ATOM 0 HB3 SER A 448 2.122 1.846 -9.299 1.00 24.00 H new ATOM 0 HG SER A 448 0.249 3.200 -9.098 1.00 44.40 H new ATOM 2151 N LYS A 449 1.660 3.328 -5.430 1.00 23.45 N ATOM 2152 CA LYS A 449 1.561 4.270 -4.316 1.00 34.12 C ATOM 2153 C LYS A 449 2.394 3.790 -3.117 1.00 4.30 C ATOM 2154 O LYS A 449 3.151 4.579 -2.575 1.00 75.02 O ATOM 2155 CB LYS A 449 0.092 4.499 -3.898 1.00 12.21 C ATOM 2156 CG LYS A 449 -0.778 5.180 -4.983 1.00 52.44 C ATOM 2157 CD LYS A 449 -2.217 5.514 -4.507 1.00 72.01 C ATOM 2158 CE LYS A 449 -2.301 6.802 -3.661 1.00 50.23 C ATOM 2159 NZ LYS A 449 -1.443 6.762 -2.441 1.00 74.03 N ATOM 0 H LYS A 449 0.798 2.813 -5.611 1.00 23.45 H new ATOM 0 HA LYS A 449 1.964 5.224 -4.657 1.00 34.12 H new ATOM 0 HB2 LYS A 449 -0.355 3.539 -3.640 1.00 12.21 H new ATOM 0 HB3 LYS A 449 0.074 5.111 -2.996 1.00 12.21 H new ATOM 0 HG2 LYS A 449 -0.288 6.099 -5.305 1.00 52.44 H new ATOM 0 HG3 LYS A 449 -0.835 4.527 -5.854 1.00 52.44 H new ATOM 0 HD2 LYS A 449 -2.865 5.618 -5.378 1.00 72.01 H new ATOM 0 HD3 LYS A 449 -2.601 4.678 -3.922 1.00 72.01 H new ATOM 0 HE2 LYS A 449 -2.007 7.653 -4.276 1.00 50.23 H new ATOM 0 HE3 LYS A 449 -3.337 6.966 -3.364 1.00 50.23 H new ATOM 0 HZ1 LYS A 449 -1.867 7.355 -1.699 1.00 74.03 H new ATOM 0 HZ2 LYS A 449 -1.369 5.782 -2.101 1.00 74.03 H new ATOM 0 HZ3 LYS A 449 -0.495 7.121 -2.672 1.00 74.03 H new ATOM 2173 N LEU A 450 2.296 2.483 -2.746 1.00 53.52 N ATOM 2174 CA LEU A 450 2.941 1.968 -1.507 1.00 4.35 C ATOM 2175 C LEU A 450 4.467 1.869 -1.671 1.00 1.24 C ATOM 2176 O LEU A 450 5.201 1.823 -0.683 1.00 44.42 O ATOM 2177 CB LEU A 450 2.305 0.622 -0.982 1.00 64.14 C ATOM 2178 CG LEU A 450 2.575 -0.747 -1.732 1.00 51.21 C ATOM 2179 CD1 LEU A 450 3.983 -1.342 -1.479 1.00 45.20 C ATOM 2180 CD2 LEU A 450 1.494 -1.794 -1.374 1.00 10.51 C ATOM 0 H LEU A 450 1.785 1.778 -3.278 1.00 53.52 H new ATOM 0 HA LEU A 450 2.740 2.703 -0.727 1.00 4.35 H new ATOM 0 HB2 LEU A 450 2.634 0.493 0.049 1.00 64.14 H new ATOM 0 HB3 LEU A 450 1.225 0.766 -0.957 1.00 64.14 H new ATOM 0 HG LEU A 450 2.527 -0.506 -2.794 1.00 51.21 H new ATOM 0 HD11 LEU A 450 4.087 -2.278 -2.028 1.00 45.20 H new ATOM 0 HD12 LEU A 450 4.742 -0.637 -1.817 1.00 45.20 H new ATOM 0 HD13 LEU A 450 4.112 -1.530 -0.413 1.00 45.20 H new ATOM 0 HD21 LEU A 450 1.701 -2.725 -1.901 1.00 10.51 H new ATOM 0 HD22 LEU A 450 1.505 -1.975 -0.299 1.00 10.51 H new ATOM 0 HD23 LEU A 450 0.514 -1.420 -1.669 1.00 10.51 H new ATOM 2192 N ASN A 451 4.923 1.817 -2.931 1.00 64.15 N ATOM 2193 CA ASN A 451 6.352 1.832 -3.262 1.00 63.34 C ATOM 2194 C ASN A 451 6.884 3.265 -3.114 1.00 25.14 C ATOM 2195 O ASN A 451 7.942 3.480 -2.511 1.00 32.45 O ATOM 2196 CB ASN A 451 6.601 1.288 -4.695 1.00 22.54 C ATOM 2197 CG ASN A 451 8.095 1.181 -5.029 1.00 64.12 C ATOM 2198 OD1 ASN A 451 8.738 0.183 -4.716 1.00 62.12 O ATOM 2199 ND2 ASN A 451 8.654 2.202 -5.657 1.00 40.42 N ATOM 0 H ASN A 451 4.312 1.764 -3.746 1.00 64.15 H new ATOM 0 HA ASN A 451 6.887 1.177 -2.574 1.00 63.34 H new ATOM 0 HB2 ASN A 451 6.138 0.306 -4.793 1.00 22.54 H new ATOM 0 HB3 ASN A 451 6.116 1.943 -5.419 1.00 22.54 H new ATOM 0 HD21 ASN A 451 9.646 2.174 -5.894 1.00 40.42 H new ATOM 0 HD22 ASN A 451 8.093 3.018 -5.904 1.00 40.42 H new ATOM 2206 N ASN A 452 6.109 4.236 -3.659 1.00 72.22 N ATOM 2207 CA ASN A 452 6.391 5.680 -3.510 1.00 74.32 C ATOM 2208 C ASN A 452 6.430 6.070 -2.019 1.00 12.01 C ATOM 2209 O ASN A 452 7.336 6.805 -1.583 1.00 31.53 O ATOM 2210 CB ASN A 452 5.315 6.535 -4.242 1.00 52.21 C ATOM 2211 CG ASN A 452 5.558 8.050 -4.136 1.00 51.33 C ATOM 2212 OD1 ASN A 452 6.699 8.519 -4.175 1.00 35.24 O ATOM 2213 ND2 ASN A 452 4.501 8.823 -3.950 1.00 4.41 N ATOM 0 H ASN A 452 5.275 4.038 -4.211 1.00 72.22 H new ATOM 0 HA ASN A 452 7.364 5.878 -3.960 1.00 74.32 H new ATOM 0 HB2 ASN A 452 5.292 6.252 -5.294 1.00 52.21 H new ATOM 0 HB3 ASN A 452 4.334 6.303 -3.827 1.00 52.21 H new ATOM 0 HD21 ASN A 452 4.619 9.830 -3.835 1.00 4.41 H new ATOM 0 HD22 ASN A 452 3.568 8.413 -3.921 1.00 4.41 H new ATOM 2220 N THR A 453 5.461 5.533 -1.246 1.00 33.33 N ATOM 2221 CA THR A 453 5.315 5.852 0.169 1.00 51.05 C ATOM 2222 C THR A 453 6.514 5.312 0.950 1.00 44.14 C ATOM 2223 O THR A 453 7.258 6.104 1.509 1.00 43.12 O ATOM 2224 CB THR A 453 3.976 5.335 0.776 1.00 20.14 C ATOM 2225 OG1 THR A 453 3.897 3.953 0.585 1.00 3.22 O ATOM 2226 CG2 THR A 453 2.728 5.989 0.159 1.00 4.40 C ATOM 0 H THR A 453 4.767 4.871 -1.594 1.00 33.33 H new ATOM 0 HA THR A 453 5.285 6.938 0.254 1.00 51.05 H new ATOM 0 HB THR A 453 3.986 5.600 1.833 1.00 20.14 H new ATOM 0 HG1 THR A 453 3.310 3.562 1.266 1.00 3.22 H new ATOM 0 HG21 THR A 453 1.833 5.581 0.629 1.00 4.40 H new ATOM 0 HG22 THR A 453 2.764 7.066 0.321 1.00 4.40 H new ATOM 0 HG23 THR A 453 2.701 5.784 -0.911 1.00 4.40 H new ATOM 2234 N SER A 454 6.742 3.974 0.902 1.00 65.34 N ATOM 2235 CA SER A 454 7.859 3.307 1.613 1.00 71.04 C ATOM 2236 C SER A 454 9.225 3.939 1.287 1.00 33.55 C ATOM 2237 O SER A 454 10.128 3.923 2.126 1.00 60.23 O ATOM 2238 CB SER A 454 7.877 1.793 1.302 1.00 22.44 C ATOM 2239 OG SER A 454 8.015 1.543 -0.089 1.00 5.12 O ATOM 0 H SER A 454 6.157 3.330 0.370 1.00 65.34 H new ATOM 0 HA SER A 454 7.685 3.449 2.680 1.00 71.04 H new ATOM 0 HB2 SER A 454 8.699 1.321 1.840 1.00 22.44 H new ATOM 0 HB3 SER A 454 6.956 1.336 1.664 1.00 22.44 H new ATOM 0 HG SER A 454 7.138 1.604 -0.521 1.00 5.12 H new ATOM 2245 N SER A 455 9.346 4.503 0.066 1.00 62.00 N ATOM 2246 CA SER A 455 10.534 5.237 -0.368 1.00 70.13 C ATOM 2247 C SER A 455 10.744 6.514 0.493 1.00 42.52 C ATOM 2248 O SER A 455 11.738 6.619 1.220 1.00 33.23 O ATOM 2249 CB SER A 455 10.421 5.583 -1.872 1.00 64.21 C ATOM 2250 OG SER A 455 11.621 6.146 -2.380 1.00 72.02 O ATOM 0 H SER A 455 8.614 4.457 -0.643 1.00 62.00 H new ATOM 0 HA SER A 455 11.409 4.603 -0.227 1.00 70.13 H new ATOM 0 HB2 SER A 455 10.177 4.681 -2.434 1.00 64.21 H new ATOM 0 HB3 SER A 455 9.600 6.284 -2.022 1.00 64.21 H new ATOM 0 HG SER A 455 11.510 6.349 -3.332 1.00 72.02 H new ATOM 2256 N TYR A 456 9.790 7.475 0.455 1.00 73.11 N ATOM 2257 CA TYR A 456 9.952 8.743 1.217 1.00 72.34 C ATOM 2258 C TYR A 456 9.771 8.542 2.739 1.00 2.35 C ATOM 2259 O TYR A 456 10.245 9.361 3.524 1.00 34.32 O ATOM 2260 CB TYR A 456 9.068 9.901 0.666 1.00 73.22 C ATOM 2261 CG TYR A 456 7.551 9.658 0.530 1.00 2.11 C ATOM 2262 CD1 TYR A 456 6.757 9.297 1.618 1.00 1.22 C ATOM 2263 CD2 TYR A 456 6.902 9.854 -0.694 1.00 1.43 C ATOM 2264 CE1 TYR A 456 5.399 9.133 1.492 1.00 53.51 C ATOM 2265 CE2 TYR A 456 5.537 9.687 -0.822 1.00 51.34 C ATOM 2266 CZ TYR A 456 4.793 9.332 0.272 1.00 43.44 C ATOM 2267 OH TYR A 456 3.432 9.164 0.149 1.00 71.32 O ATOM 0 H TYR A 456 8.923 7.404 -0.078 1.00 73.11 H new ATOM 0 HA TYR A 456 10.985 9.054 1.062 1.00 72.34 H new ATOM 0 HB2 TYR A 456 9.210 10.766 1.314 1.00 73.22 H new ATOM 0 HB3 TYR A 456 9.451 10.173 -0.317 1.00 73.22 H new ATOM 0 HD1 TYR A 456 7.220 9.143 2.581 1.00 1.22 H new ATOM 0 HD2 TYR A 456 7.482 10.142 -1.558 1.00 1.43 H new ATOM 0 HE1 TYR A 456 4.807 8.848 2.349 1.00 53.51 H new ATOM 0 HE2 TYR A 456 5.059 9.835 -1.779 1.00 51.34 H new ATOM 0 HH TYR A 456 3.163 9.343 -0.776 1.00 71.32 H new ATOM 2277 N LEU A 457 9.092 7.447 3.141 1.00 42.42 N ATOM 2278 CA LEU A 457 8.875 7.105 4.560 1.00 13.30 C ATOM 2279 C LEU A 457 10.159 6.535 5.177 1.00 51.42 C ATOM 2280 O LEU A 457 10.407 6.757 6.360 1.00 3.14 O ATOM 2281 CB LEU A 457 7.705 6.090 4.749 1.00 4.45 C ATOM 2282 CG LEU A 457 6.264 6.592 4.413 1.00 12.10 C ATOM 2283 CD1 LEU A 457 5.214 5.483 4.664 1.00 23.44 C ATOM 2284 CD2 LEU A 457 5.925 7.884 5.179 1.00 15.41 C ATOM 0 H LEU A 457 8.680 6.777 2.491 1.00 42.42 H new ATOM 0 HA LEU A 457 8.602 8.028 5.072 1.00 13.30 H new ATOM 0 HB2 LEU A 457 7.912 5.217 4.130 1.00 4.45 H new ATOM 0 HB3 LEU A 457 7.713 5.755 5.786 1.00 4.45 H new ATOM 0 HG LEU A 457 6.235 6.833 3.350 1.00 12.10 H new ATOM 0 HD11 LEU A 457 4.221 5.861 4.422 1.00 23.44 H new ATOM 0 HD12 LEU A 457 5.438 4.621 4.035 1.00 23.44 H new ATOM 0 HD13 LEU A 457 5.243 5.185 5.712 1.00 23.44 H new ATOM 0 HD21 LEU A 457 4.916 8.205 4.922 1.00 15.41 H new ATOM 0 HD22 LEU A 457 5.984 7.697 6.251 1.00 15.41 H new ATOM 0 HD23 LEU A 457 6.635 8.665 4.907 1.00 15.41 H new ATOM 2296 N THR A 458 10.968 5.786 4.382 1.00 55.44 N ATOM 2297 CA THR A 458 12.251 5.244 4.879 1.00 54.14 C ATOM 2298 C THR A 458 13.296 6.359 4.985 1.00 52.53 C ATOM 2299 O THR A 458 14.137 6.319 5.877 1.00 35.33 O ATOM 2300 CB THR A 458 12.808 4.035 4.040 1.00 44.33 C ATOM 2301 OG1 THR A 458 13.909 3.426 4.743 1.00 22.30 O ATOM 2302 CG2 THR A 458 13.286 4.417 2.630 1.00 33.51 C ATOM 0 H THR A 458 10.756 5.550 3.413 1.00 55.44 H new ATOM 0 HA THR A 458 12.042 4.840 5.870 1.00 54.14 H new ATOM 0 HB THR A 458 11.972 3.346 3.920 1.00 44.33 H new ATOM 0 HG1 THR A 458 14.254 2.672 4.220 1.00 22.30 H new ATOM 0 HG21 THR A 458 13.655 3.528 2.118 1.00 33.51 H new ATOM 0 HG22 THR A 458 12.455 4.842 2.067 1.00 33.51 H new ATOM 0 HG23 THR A 458 14.088 5.152 2.704 1.00 33.51 H new ATOM 2310 N GLN A 459 13.224 7.355 4.071 1.00 2.02 N ATOM 2311 CA GLN A 459 14.061 8.576 4.150 1.00 32.24 C ATOM 2312 C GLN A 459 13.698 9.380 5.414 1.00 15.52 C ATOM 2313 O GLN A 459 14.580 9.805 6.178 1.00 34.42 O ATOM 2314 CB GLN A 459 13.852 9.465 2.896 1.00 70.24 C ATOM 2315 CG GLN A 459 14.081 8.751 1.551 1.00 74.33 C ATOM 2316 CD GLN A 459 13.763 9.609 0.317 1.00 12.24 C ATOM 2317 OE1 GLN A 459 12.818 10.543 0.431 1.00 63.51 O flip ATOM 2318 NE2 GLN A 459 14.356 9.422 -0.749 1.00 74.51 N flip ATOM 0 H GLN A 459 12.594 7.337 3.269 1.00 2.02 H new ATOM 0 HA GLN A 459 15.107 8.273 4.197 1.00 32.24 H new ATOM 0 HB2 GLN A 459 12.836 9.859 2.913 1.00 70.24 H new ATOM 0 HB3 GLN A 459 14.527 10.319 2.957 1.00 70.24 H new ATOM 0 HG2 GLN A 459 15.121 8.429 1.497 1.00 74.33 H new ATOM 0 HG3 GLN A 459 13.466 7.851 1.521 1.00 74.33 H new ATOM 0 HE21 GLN A 459 15.075 8.702 -0.813 1.00 74.51 H new ATOM 0 HE22 GLN A 459 14.127 9.988 -1.566 1.00 74.51 H new ATOM 2327 N GLN A 460 12.370 9.554 5.611 1.00 63.20 N ATOM 2328 CA GLN A 460 11.790 10.252 6.768 1.00 72.42 C ATOM 2329 C GLN A 460 12.188 9.541 8.071 1.00 3.23 C ATOM 2330 O GLN A 460 12.522 10.194 9.051 1.00 34.25 O ATOM 2331 CB GLN A 460 10.237 10.327 6.627 1.00 42.42 C ATOM 2332 CG GLN A 460 9.508 11.072 7.774 1.00 62.45 C ATOM 2333 CD GLN A 460 9.932 12.538 7.921 1.00 63.32 C ATOM 2334 OE1 GLN A 460 9.351 13.435 7.308 1.00 11.25 O ATOM 2335 NE2 GLN A 460 10.947 12.794 8.737 1.00 0.31 N ATOM 0 H GLN A 460 11.667 9.206 4.958 1.00 63.20 H new ATOM 0 HA GLN A 460 12.180 11.269 6.801 1.00 72.42 H new ATOM 0 HB2 GLN A 460 9.997 10.819 5.685 1.00 42.42 H new ATOM 0 HB3 GLN A 460 9.844 9.312 6.566 1.00 42.42 H new ATOM 0 HG2 GLN A 460 8.433 11.029 7.598 1.00 62.45 H new ATOM 0 HG3 GLN A 460 9.698 10.552 8.713 1.00 62.45 H new ATOM 0 HE21 GLN A 460 11.409 12.031 9.231 1.00 0.31 H new ATOM 0 HE22 GLN A 460 11.265 13.754 8.870 1.00 0.31 H new ATOM 2344 N PHE A 461 12.188 8.196 8.033 1.00 41.12 N ATOM 2345 CA PHE A 461 12.578 7.350 9.170 1.00 71.32 C ATOM 2346 C PHE A 461 14.058 7.541 9.507 1.00 43.23 C ATOM 2347 O PHE A 461 14.392 7.739 10.662 1.00 64.44 O ATOM 2348 CB PHE A 461 12.293 5.857 8.859 1.00 3.31 C ATOM 2349 CG PHE A 461 12.767 4.871 9.934 1.00 43.44 C ATOM 2350 CD1 PHE A 461 12.269 4.935 11.240 1.00 24.04 C ATOM 2351 CD2 PHE A 461 13.710 3.879 9.643 1.00 71.22 C ATOM 2352 CE1 PHE A 461 12.702 4.051 12.208 1.00 65.53 C ATOM 2353 CE2 PHE A 461 14.135 2.998 10.617 1.00 30.45 C ATOM 2354 CZ PHE A 461 13.630 3.080 11.897 1.00 61.50 C ATOM 0 H PHE A 461 11.915 7.665 7.206 1.00 41.12 H new ATOM 0 HA PHE A 461 11.984 7.650 10.033 1.00 71.32 H new ATOM 0 HB2 PHE A 461 11.220 5.729 8.717 1.00 3.31 H new ATOM 0 HB3 PHE A 461 12.772 5.600 7.914 1.00 3.31 H new ATOM 0 HD1 PHE A 461 11.536 5.686 11.494 1.00 24.04 H new ATOM 0 HD2 PHE A 461 14.111 3.802 8.643 1.00 71.22 H new ATOM 0 HE1 PHE A 461 12.312 4.120 13.213 1.00 65.53 H new ATOM 0 HE2 PHE A 461 14.866 2.241 10.375 1.00 30.45 H new ATOM 0 HZ PHE A 461 13.961 2.385 12.655 1.00 61.50 H new ATOM 2364 N THR A 462 14.916 7.499 8.474 1.00 33.32 N ATOM 2365 CA THR A 462 16.381 7.561 8.627 1.00 61.22 C ATOM 2366 C THR A 462 16.820 8.884 9.301 1.00 13.45 C ATOM 2367 O THR A 462 17.677 8.879 10.204 1.00 31.44 O ATOM 2368 CB THR A 462 17.060 7.362 7.226 1.00 44.11 C ATOM 2369 OG1 THR A 462 16.682 6.078 6.695 1.00 33.32 O ATOM 2370 CG2 THR A 462 18.591 7.434 7.273 1.00 61.24 C ATOM 0 H THR A 462 14.612 7.421 7.504 1.00 33.32 H new ATOM 0 HA THR A 462 16.707 6.756 9.286 1.00 61.22 H new ATOM 0 HB THR A 462 16.714 8.180 6.594 1.00 44.11 H new ATOM 0 HG1 THR A 462 15.765 6.123 6.353 1.00 33.32 H new ATOM 0 HG21 THR A 462 18.993 7.288 6.270 1.00 61.24 H new ATOM 0 HG22 THR A 462 18.898 8.410 7.649 1.00 61.24 H new ATOM 0 HG23 THR A 462 18.972 6.655 7.934 1.00 61.24 H new ATOM 2378 N ALA A 463 16.175 9.996 8.893 1.00 70.24 N ATOM 2379 CA ALA A 463 16.457 11.335 9.440 1.00 25.44 C ATOM 2380 C ALA A 463 15.835 11.518 10.840 1.00 42.23 C ATOM 2381 O ALA A 463 16.538 11.853 11.803 1.00 24.54 O ATOM 2382 CB ALA A 463 15.941 12.422 8.481 1.00 14.34 C ATOM 0 H ALA A 463 15.447 9.989 8.178 1.00 70.24 H new ATOM 0 HA ALA A 463 17.538 11.432 9.541 1.00 25.44 H new ATOM 0 HB1 ALA A 463 16.156 13.406 8.897 1.00 14.34 H new ATOM 0 HB2 ALA A 463 16.436 12.320 7.515 1.00 14.34 H new ATOM 0 HB3 ALA A 463 14.865 12.311 8.350 1.00 14.34 H new ATOM 2388 N MET A 464 14.515 11.246 10.945 1.00 44.53 N ATOM 2389 CA MET A 464 13.736 11.447 12.191 1.00 0.12 C ATOM 2390 C MET A 464 14.287 10.577 13.331 1.00 33.23 C ATOM 2391 O MET A 464 14.288 10.989 14.493 1.00 15.00 O ATOM 2392 CB MET A 464 12.235 11.126 11.943 1.00 21.23 C ATOM 2393 CG MET A 464 11.305 11.273 13.159 1.00 4.15 C ATOM 2394 SD MET A 464 9.609 10.783 12.783 1.00 44.11 S ATOM 2395 CE MET A 464 9.115 12.011 11.577 1.00 2.54 C ATOM 0 H MET A 464 13.959 10.882 10.171 1.00 44.53 H new ATOM 0 HA MET A 464 13.830 12.492 12.487 1.00 0.12 H new ATOM 0 HB2 MET A 464 11.870 11.779 11.150 1.00 21.23 H new ATOM 0 HB3 MET A 464 12.159 10.103 11.574 1.00 21.23 H new ATOM 0 HG2 MET A 464 11.684 10.664 13.980 1.00 4.15 H new ATOM 0 HG3 MET A 464 11.315 12.309 13.499 1.00 4.15 H new ATOM 0 HE1 MET A 464 8.044 12.196 11.663 1.00 2.54 H new ATOM 0 HE2 MET A 464 9.659 12.938 11.758 1.00 2.54 H new ATOM 0 HE3 MET A 464 9.341 11.648 10.574 1.00 2.54 H new ATOM 2405 N ASN A 465 14.796 9.389 12.970 1.00 4.32 N ATOM 2406 CA ASN A 465 15.444 8.485 13.922 1.00 11.35 C ATOM 2407 C ASN A 465 16.828 9.073 14.286 1.00 74.44 C ATOM 2408 O ASN A 465 17.005 9.561 15.409 1.00 33.54 O ATOM 2409 CB ASN A 465 15.556 7.045 13.338 1.00 50.14 C ATOM 2410 CG ASN A 465 15.926 5.974 14.363 1.00 33.31 C ATOM 2411 OD1 ASN A 465 16.514 6.250 15.403 1.00 51.44 O ATOM 2412 ND2 ASN A 465 15.647 4.729 14.037 1.00 60.34 N ATOM 0 H ASN A 465 14.768 9.033 12.015 1.00 4.32 H new ATOM 0 HA ASN A 465 14.843 8.401 14.828 1.00 11.35 H new ATOM 0 HB2 ASN A 465 14.604 6.777 12.879 1.00 50.14 H new ATOM 0 HB3 ASN A 465 16.304 7.045 12.545 1.00 50.14 H new ATOM 0 HD21 ASN A 465 15.921 3.966 14.656 1.00 60.34 H new ATOM 0 HD22 ASN A 465 15.157 4.528 13.166 1.00 60.34 H new ATOM 2419 N LYS A 466 17.803 9.038 13.339 1.00 11.42 N ATOM 2420 CA LYS A 466 19.160 9.609 13.556 1.00 41.32 C ATOM 2421 C LYS A 466 19.588 10.601 12.430 1.00 11.14 C ATOM 2422 O LYS A 466 20.203 10.198 11.443 1.00 11.11 O ATOM 2423 CB LYS A 466 20.233 8.482 13.798 1.00 1.43 C ATOM 2424 CG LYS A 466 20.381 7.389 12.695 1.00 4.42 C ATOM 2425 CD LYS A 466 19.298 6.285 12.748 1.00 71.45 C ATOM 2426 CE LYS A 466 19.428 5.368 13.983 1.00 61.40 C ATOM 2427 NZ LYS A 466 20.648 4.519 13.933 1.00 2.13 N ATOM 0 H LYS A 466 17.674 8.620 12.417 1.00 11.42 H new ATOM 0 HA LYS A 466 19.104 10.202 14.469 1.00 41.32 H new ATOM 0 HB2 LYS A 466 21.203 8.962 13.930 1.00 1.43 H new ATOM 0 HB3 LYS A 466 19.993 7.984 14.737 1.00 1.43 H new ATOM 0 HG2 LYS A 466 20.347 7.869 11.717 1.00 4.42 H new ATOM 0 HG3 LYS A 466 21.363 6.924 12.789 1.00 4.42 H new ATOM 0 HD2 LYS A 466 18.313 6.751 12.751 1.00 71.45 H new ATOM 0 HD3 LYS A 466 19.361 5.679 11.844 1.00 71.45 H new ATOM 0 HE2 LYS A 466 19.451 5.979 14.885 1.00 61.40 H new ATOM 0 HE3 LYS A 466 18.547 4.730 14.053 1.00 61.40 H new ATOM 0 HZ1 LYS A 466 20.656 3.874 14.749 1.00 2.13 H new ATOM 0 HZ2 LYS A 466 20.649 3.965 13.053 1.00 2.13 H new ATOM 0 HZ3 LYS A 466 21.493 5.124 13.962 1.00 2.13 H new ATOM 2441 N SER A 467 19.214 11.888 12.555 1.00 53.52 N ATOM 2442 CA SER A 467 19.867 12.970 11.781 1.00 44.34 C ATOM 2443 C SER A 467 21.311 13.206 12.315 1.00 3.32 C ATOM 2444 O SER A 467 22.291 12.834 11.630 1.00 74.52 O ATOM 2445 CB SER A 467 19.049 14.280 11.858 1.00 74.24 C ATOM 2446 OG SER A 467 17.782 14.151 11.253 1.00 50.21 O ATOM 2447 OXT SER A 467 21.457 13.717 13.447 1.00 38.22 O ATOM 0 H SER A 467 18.471 12.206 13.177 1.00 53.52 H new ATOM 0 HA SER A 467 19.916 12.663 10.736 1.00 44.34 H new ATOM 0 HB2 SER A 467 18.924 14.568 12.902 1.00 74.24 H new ATOM 0 HB3 SER A 467 19.603 15.082 11.370 1.00 74.24 H new ATOM 0 HG SER A 467 17.291 13.416 11.676 1.00 50.21 H new TER 2453 SER A 467