USER MOD reduce.3.24.130724 H: found=0, std=0, add=1102, rem=0, adj=45 USER MOD reduce.3.24.130724 removed 1104 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 465 ASN : amide:sc= -0.119 K(o=-0.12,f=-2.4!) USER MOD Set 1.2: A 466 LYS NZ :NH3+ -131:sc= 0 (180deg=0) USER MOD Set 2.1: A 48 MET CE :methyl 144:sc= -0.707 (180deg=-1.09) USER MOD Set 2.2: A 52 THR OG1 : rot 104:sc= 0.166 USER MOD Set 2.3: A 460 GLN : amide:sc= 0.157 K(o=-0.39,f=-2.1) USER MOD Set 2.4: A 464 MET CE :methyl -153:sc= -0.0043 (180deg=-0.0986) USER MOD Set 3.1: A 439 GLN : amide:sc= -0.062 X(o=-0.075,f=-0.075) USER MOD Set 3.2: A 442 GLN :FLIP amide:sc= -0.0127 F(o=-1.4,f=-0.075) USER MOD Set 4.1: A 79 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00745) USER MOD Set 4.2: A 451 ASN : amide:sc= 0 X(o=0,f=-0.022) USER MOD Set 5.1: A 18 SER OG : rot 74:sc= 0.395 USER MOD Set 5.2: A 40 TYR OH : rot -30:sc= 0.185 USER MOD Set 5.3: A 71 THR OG1 : rot -170:sc= 1.03 USER MOD Single : A 2 THR OG1 : rot -29:sc= 0.0566 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot -133:sc= 0.241 USER MOD Single : A 9 ASN : amide:sc= -0.49 X(o=-0.49,f=-0.53) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 SER OG : rot 81:sc= 0.964 USER MOD Single : A 26 GLN :FLIP amide:sc= 0 F(o=-0.61,f=0) USER MOD Single : A 35 GLN : amide:sc= -0.263 X(o=-0.26,f=-0.029) USER MOD Single : A 36 GLN : amide:sc=-0.00832 K(o=-0.0083,f=-1.7!) USER MOD Single : A 39 SER OG : rot 180:sc= 0.00043 USER MOD Single : A 42 GLN : amide:sc= -0.318 X(o=-0.32,f=0) USER MOD Single : A 43 SER OG : rot 85:sc= 1.26 USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.0216 USER MOD Single : A 50 LYS NZ :NH3+ -142:sc= 1.7 (180deg=0.17) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.0271 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc=-0.00643 X(o=-0.0064,f=0) USER MOD Single : A 63 MET CE :methyl 162:sc= -3.01! (180deg=-3.33!) 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= -0.843 F(o=-2.3!,f=-0.84) USER MOD Single : A 74 ASN : amide:sc= -0.692 K(o=-0.69,f=-3.7!) USER MOD Single : A 76 GLN :FLIP amide:sc= -0.0189 F(o=-0.93,f=-0.019) USER MOD Single : A 83 GLN :FLIP amide:sc= 0 F(o=-0.77,f=0) USER MOD Single : A 84 GLN :FLIP amide:sc= 0 F(o=-0.7,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= -0.0274 X(o=-0.027,f=-0.027) USER MOD Single : A 432 THR OG1 : rot 21:sc= 0.168 USER MOD Single : A 436 TYR OH : rot 180:sc= 0 USER MOD Single : A 437 LYS NZ :NH3+ 170:sc= -0.0172 (180deg=-0.165) USER MOD Single : A 441 THR OG1 : rot 77:sc= 1.23 USER MOD Single : A 445 THR OG1 : rot 180:sc= 0 USER MOD Single : A 446 MET CE :methyl -119:sc=-0.00785 (180deg=-2.28!) USER MOD Single : A 447 MET CE :methyl -143:sc= -0.435 (180deg=-2.67) USER MOD Single : A 448 SER OG : rot 180:sc= -0.101 USER MOD Single : A 449 LYS NZ :NH3+ -170:sc= 0.904 (180deg=0.838) USER MOD Single : A 452 ASN : amide:sc=-0.00577 X(o=-0.0058,f=-0.14) USER MOD Single : A 453 THR OG1 : rot 145:sc= -1.36! USER MOD Single : A 454 SER OG : rot -86:sc= 0.785 USER MOD Single : A 455 SER OG : rot 180:sc= 0 USER MOD Single : A 456 TYR OH : rot 180:sc= -0.786 USER MOD Single : A 458 THR OG1 : rot 180:sc= 0 USER MOD Single : A 459 GLN :FLIP amide:sc= -0.0645 F(o=-1.3,f=-0.065) USER MOD Single : A 462 THR OG1 : rot 79:sc= 0.817 USER MOD Single : A 467 SER OG : rot 42:sc= 0.0999 USER MOD ----------------------------------------------------------------- ATOM 20 N THR A 2 -1.719 21.532 17.630 1.00 2.44 N ATOM 21 CA THR A 2 -2.659 20.858 16.697 1.00 23.14 C ATOM 22 C THR A 2 -1.920 19.991 15.656 1.00 65.10 C ATOM 23 O THR A 2 -2.290 18.834 15.426 1.00 64.45 O ATOM 24 CB THR A 2 -3.561 21.896 15.941 1.00 31.32 C ATOM 25 OG1 THR A 2 -2.733 22.845 15.246 1.00 60.45 O ATOM 26 CG2 THR A 2 -4.515 22.644 16.893 1.00 14.12 C ATOM 0 HA THR A 2 -3.285 20.213 17.313 1.00 23.14 H new ATOM 0 HB THR A 2 -4.173 21.339 15.231 1.00 31.32 H new ATOM 0 HG1 THR A 2 -1.885 22.952 15.725 1.00 60.45 H new ATOM 0 HG21 THR A 2 -5.118 23.351 16.323 1.00 14.12 H new ATOM 0 HG22 THR A 2 -5.169 21.927 17.390 1.00 14.12 H new ATOM 0 HG23 THR A 2 -3.934 23.184 17.641 1.00 14.12 H new ATOM 34 N SER A 3 -0.874 20.579 15.045 1.00 33.31 N ATOM 35 CA SER A 3 -0.074 19.933 13.993 1.00 71.31 C ATOM 36 C SER A 3 0.685 18.702 14.538 1.00 34.31 C ATOM 37 O SER A 3 0.838 17.689 13.840 1.00 52.32 O ATOM 38 CB SER A 3 0.902 20.960 13.376 1.00 71.35 C ATOM 39 OG SER A 3 0.201 22.071 12.821 1.00 31.21 O ATOM 0 H SER A 3 -0.560 21.523 15.271 1.00 33.31 H new ATOM 0 HA SER A 3 -0.748 19.575 13.215 1.00 71.31 H new ATOM 0 HB2 SER A 3 1.596 21.310 14.140 1.00 71.35 H new ATOM 0 HB3 SER A 3 1.498 20.479 12.600 1.00 71.35 H new ATOM 0 HG SER A 3 0.843 22.705 12.439 1.00 31.21 H new ATOM 45 N THR A 4 1.128 18.791 15.799 1.00 54.43 N ATOM 46 CA THR A 4 1.908 17.731 16.445 1.00 44.14 C ATOM 47 C THR A 4 1.006 16.569 16.914 1.00 33.12 C ATOM 48 O THR A 4 1.389 15.412 16.772 1.00 31.32 O ATOM 49 CB THR A 4 2.730 18.297 17.638 1.00 72.12 C ATOM 50 OG1 THR A 4 3.531 19.403 17.188 1.00 44.11 O ATOM 51 CG2 THR A 4 3.641 17.233 18.285 1.00 13.15 C ATOM 0 H THR A 4 0.955 19.599 16.398 1.00 54.43 H new ATOM 0 HA THR A 4 2.601 17.337 15.702 1.00 44.14 H new ATOM 0 HB THR A 4 2.019 18.624 18.397 1.00 72.12 H new ATOM 0 HG1 THR A 4 4.445 19.305 17.529 1.00 44.11 H new ATOM 0 HG21 THR A 4 4.192 17.680 19.112 1.00 13.15 H new ATOM 0 HG22 THR A 4 3.031 16.410 18.658 1.00 13.15 H new ATOM 0 HG23 THR A 4 4.344 16.856 17.542 1.00 13.15 H new ATOM 59 N VAL A 5 -0.189 16.873 17.463 1.00 15.31 N ATOM 60 CA VAL A 5 -1.103 15.824 17.979 1.00 74.45 C ATOM 61 C VAL A 5 -1.714 15.003 16.819 1.00 33.14 C ATOM 62 O VAL A 5 -1.869 13.779 16.941 1.00 0.40 O ATOM 63 CB VAL A 5 -2.231 16.401 18.924 1.00 11.44 C ATOM 64 CG1 VAL A 5 -3.175 17.370 18.187 1.00 21.22 C ATOM 65 CG2 VAL A 5 -3.027 15.267 19.626 1.00 10.21 C ATOM 0 H VAL A 5 -0.543 17.824 17.561 1.00 15.31 H new ATOM 0 HA VAL A 5 -0.497 15.158 18.594 1.00 74.45 H new ATOM 0 HB VAL A 5 -1.722 16.978 19.696 1.00 11.44 H new ATOM 0 HG11 VAL A 5 -3.932 17.738 18.880 1.00 21.22 H new ATOM 0 HG12 VAL A 5 -2.601 18.210 17.796 1.00 21.22 H new ATOM 0 HG13 VAL A 5 -3.661 16.848 17.363 1.00 21.22 H new ATOM 0 HG21 VAL A 5 -3.793 15.703 20.267 1.00 10.21 H new ATOM 0 HG22 VAL A 5 -3.500 14.635 18.874 1.00 10.21 H new ATOM 0 HG23 VAL A 5 -2.348 14.666 20.230 1.00 10.21 H new ATOM 75 N GLU A 6 -2.028 15.673 15.677 1.00 31.23 N ATOM 76 CA GLU A 6 -2.505 14.976 14.463 1.00 33.33 C ATOM 77 C GLU A 6 -1.365 14.102 13.897 1.00 64.35 C ATOM 78 O GLU A 6 -1.602 12.971 13.494 1.00 64.45 O ATOM 79 CB GLU A 6 -3.049 15.976 13.395 1.00 64.44 C ATOM 80 CG GLU A 6 -1.994 16.929 12.804 1.00 5.33 C ATOM 81 CD GLU A 6 -2.550 17.959 11.809 1.00 74.24 C ATOM 82 OE1 GLU A 6 -2.979 19.048 12.236 1.00 11.15 O ATOM 83 OE2 GLU A 6 -2.534 17.696 10.588 1.00 2.35 O ATOM 0 H GLU A 6 -1.958 16.686 15.577 1.00 31.23 H new ATOM 0 HA GLU A 6 -3.343 14.334 14.733 1.00 33.33 H new ATOM 0 HB2 GLU A 6 -3.500 15.407 12.582 1.00 64.44 H new ATOM 0 HB3 GLU A 6 -3.843 16.571 13.846 1.00 64.44 H new ATOM 0 HG2 GLU A 6 -1.504 17.460 13.621 1.00 5.33 H new ATOM 0 HG3 GLU A 6 -1.228 16.337 12.304 1.00 5.33 H new ATOM 90 N PHE A 7 -0.124 14.642 13.915 1.00 35.43 N ATOM 91 CA PHE A 7 1.106 13.909 13.539 1.00 54.05 C ATOM 92 C PHE A 7 1.232 12.568 14.324 1.00 41.43 C ATOM 93 O PHE A 7 1.334 11.503 13.707 1.00 71.10 O ATOM 94 CB PHE A 7 2.310 14.859 13.788 1.00 55.25 C ATOM 95 CG PHE A 7 3.709 14.259 13.678 1.00 73.23 C ATOM 96 CD1 PHE A 7 4.368 14.189 12.454 1.00 44.11 C ATOM 97 CD2 PHE A 7 4.388 13.814 14.815 1.00 50.23 C ATOM 98 CE1 PHE A 7 5.655 13.696 12.375 1.00 74.41 C ATOM 99 CE2 PHE A 7 5.670 13.314 14.722 1.00 63.23 C ATOM 100 CZ PHE A 7 6.300 13.260 13.505 1.00 11.42 C ATOM 0 H PHE A 7 0.052 15.607 14.193 1.00 35.43 H new ATOM 0 HA PHE A 7 1.077 13.626 12.487 1.00 54.05 H new ATOM 0 HB2 PHE A 7 2.240 15.685 13.080 1.00 55.25 H new ATOM 0 HB3 PHE A 7 2.203 15.285 14.786 1.00 55.25 H new ATOM 0 HD1 PHE A 7 3.868 14.524 11.557 1.00 44.11 H new ATOM 0 HD2 PHE A 7 3.903 13.862 15.779 1.00 50.23 H new ATOM 0 HE1 PHE A 7 6.157 13.653 11.419 1.00 74.41 H new ATOM 0 HE2 PHE A 7 6.178 12.965 15.609 1.00 63.23 H new ATOM 0 HZ PHE A 7 7.306 12.873 13.436 1.00 11.42 H new ATOM 110 N ILE A 8 1.156 12.652 15.677 1.00 51.03 N ATOM 111 CA ILE A 8 1.260 11.491 16.603 1.00 63.13 C ATOM 112 C ILE A 8 0.221 10.403 16.253 1.00 42.23 C ATOM 113 O ILE A 8 0.576 9.254 15.933 1.00 55.21 O ATOM 114 CB ILE A 8 1.027 11.950 18.106 1.00 41.11 C ATOM 115 CG1 ILE A 8 2.119 12.960 18.569 1.00 12.22 C ATOM 116 CG2 ILE A 8 0.950 10.744 19.079 1.00 62.41 C ATOM 117 CD1 ILE A 8 1.855 13.604 19.925 1.00 14.12 C ATOM 0 H ILE A 8 1.019 13.538 16.163 1.00 51.03 H new ATOM 0 HA ILE A 8 2.263 11.080 16.493 1.00 63.13 H new ATOM 0 HB ILE A 8 0.062 12.456 18.132 1.00 41.11 H new ATOM 0 HG12 ILE A 8 3.079 12.445 18.607 1.00 12.22 H new ATOM 0 HG13 ILE A 8 2.209 13.746 17.820 1.00 12.22 H new ATOM 0 HG21 ILE A 8 0.790 11.106 20.095 1.00 62.41 H new ATOM 0 HG22 ILE A 8 0.123 10.096 18.790 1.00 62.41 H new ATOM 0 HG23 ILE A 8 1.883 10.182 19.037 1.00 62.41 H new ATOM 0 HD11 ILE A 8 2.666 14.291 20.165 1.00 14.12 H new ATOM 0 HD12 ILE A 8 0.913 14.152 19.890 1.00 14.12 H new ATOM 0 HD13 ILE A 8 1.797 12.830 20.690 1.00 14.12 H new ATOM 129 N ASN A 9 -1.061 10.819 16.304 1.00 0.13 N ATOM 130 CA ASN A 9 -2.224 9.932 16.164 1.00 62.13 C ATOM 131 C ASN A 9 -2.239 9.225 14.809 1.00 0.32 C ATOM 132 O ASN A 9 -2.429 8.011 14.755 1.00 40.25 O ATOM 133 CB ASN A 9 -3.540 10.737 16.371 1.00 71.03 C ATOM 134 CG ASN A 9 -3.736 11.184 17.823 1.00 44.22 C ATOM 135 OD1 ASN A 9 -3.426 10.451 18.760 1.00 25.31 O ATOM 136 ND2 ASN A 9 -4.216 12.398 18.018 1.00 1.32 N ATOM 0 H ASN A 9 -1.316 11.796 16.446 1.00 0.13 H new ATOM 0 HA ASN A 9 -2.149 9.163 16.933 1.00 62.13 H new ATOM 0 HB2 ASN A 9 -3.531 11.614 15.723 1.00 71.03 H new ATOM 0 HB3 ASN A 9 -4.388 10.124 16.066 1.00 71.03 H new ATOM 0 HD21 ASN A 9 -4.339 12.752 18.967 1.00 1.32 H new ATOM 0 HD22 ASN A 9 -4.464 12.983 17.220 1.00 1.32 H new ATOM 143 N ARG A 10 -1.995 9.988 13.726 1.00 44.32 N ATOM 144 CA ARG A 10 -2.108 9.475 12.349 1.00 53.42 C ATOM 145 C ARG A 10 -0.954 8.525 11.997 1.00 73.34 C ATOM 146 O ARG A 10 -1.184 7.570 11.265 1.00 0.31 O ATOM 147 CB ARG A 10 -2.198 10.624 11.326 1.00 23.23 C ATOM 148 CG ARG A 10 -3.435 11.529 11.483 1.00 51.22 C ATOM 149 CD ARG A 10 -3.385 12.738 10.537 1.00 74.32 C ATOM 150 NE ARG A 10 -2.123 13.497 10.671 1.00 53.43 N ATOM 151 CZ ARG A 10 -1.792 14.585 9.963 1.00 25.21 C ATOM 152 NH1 ARG A 10 -2.616 15.086 9.043 1.00 2.13 N ATOM 153 NH2 ARG A 10 -0.622 15.176 10.183 1.00 22.12 N ATOM 0 H ARG A 10 -1.717 10.968 13.781 1.00 44.32 H new ATOM 0 HA ARG A 10 -3.035 8.903 12.299 1.00 53.42 H new ATOM 0 HB2 ARG A 10 -1.302 11.239 11.410 1.00 23.23 H new ATOM 0 HB3 ARG A 10 -2.200 10.199 10.322 1.00 23.23 H new ATOM 0 HG2 ARG A 10 -4.336 10.949 11.284 1.00 51.22 H new ATOM 0 HG3 ARG A 10 -3.501 11.877 12.514 1.00 51.22 H new ATOM 0 HD2 ARG A 10 -3.495 12.397 9.508 1.00 74.32 H new ATOM 0 HD3 ARG A 10 -4.228 13.397 10.746 1.00 74.32 H new ATOM 0 HE ARG A 10 -1.448 13.164 11.360 1.00 53.43 H new ATOM 0 HH11 ARG A 10 -3.517 14.640 8.868 1.00 2.13 H new ATOM 0 HH12 ARG A 10 -2.346 15.915 8.514 1.00 2.13 H new ATOM 0 HH21 ARG A 10 0.015 14.801 10.886 1.00 22.12 H new ATOM 0 HH22 ARG A 10 -0.361 16.005 9.649 1.00 22.12 H new ATOM 167 N TRP A 11 0.279 8.778 12.514 1.00 3.02 N ATOM 168 CA TRP A 11 1.407 7.819 12.364 1.00 32.24 C ATOM 169 C TRP A 11 1.062 6.482 13.037 1.00 33.42 C ATOM 170 O TRP A 11 1.356 5.408 12.488 1.00 20.13 O ATOM 171 CB TRP A 11 2.751 8.367 12.933 1.00 12.35 C ATOM 172 CG TRP A 11 3.524 9.262 11.985 1.00 63.55 C ATOM 173 CD1 TRP A 11 3.792 10.589 12.134 1.00 5.32 C ATOM 174 CD2 TRP A 11 4.149 8.878 10.746 1.00 54.25 C ATOM 175 NE1 TRP A 11 4.534 11.046 11.080 1.00 61.52 N ATOM 176 CE2 TRP A 11 4.769 10.024 10.220 1.00 14.24 C ATOM 177 CE3 TRP A 11 4.247 7.682 10.031 1.00 11.31 C ATOM 178 CZ2 TRP A 11 5.475 10.018 9.023 1.00 23.10 C ATOM 179 CZ3 TRP A 11 4.945 7.674 8.838 1.00 1.50 C ATOM 180 CH2 TRP A 11 5.551 8.840 8.348 1.00 12.33 C ATOM 0 H TRP A 11 0.515 9.625 13.031 1.00 3.02 H new ATOM 0 HA TRP A 11 1.550 7.670 11.294 1.00 32.24 H new ATOM 0 HB2 TRP A 11 2.543 8.923 13.847 1.00 12.35 H new ATOM 0 HB3 TRP A 11 3.383 7.523 13.210 1.00 12.35 H new ATOM 0 HD1 TRP A 11 3.465 11.194 12.966 1.00 5.32 H new ATOM 0 HE1 TRP A 11 4.860 12.005 10.960 1.00 61.52 H new ATOM 0 HE3 TRP A 11 3.786 6.780 10.404 1.00 11.31 H new ATOM 0 HZ2 TRP A 11 5.945 10.914 8.644 1.00 23.10 H new ATOM 0 HZ3 TRP A 11 5.025 6.756 8.275 1.00 1.50 H new ATOM 0 HH2 TRP A 11 6.090 8.801 7.413 1.00 12.33 H new ATOM 191 N GLN A 12 0.434 6.564 14.231 1.00 24.24 N ATOM 192 CA GLN A 12 -0.074 5.383 14.942 1.00 42.33 C ATOM 193 C GLN A 12 -1.122 4.651 14.090 1.00 40.23 C ATOM 194 O GLN A 12 -1.074 3.427 13.994 1.00 61.43 O ATOM 195 CB GLN A 12 -0.663 5.769 16.321 1.00 51.33 C ATOM 196 CG GLN A 12 -1.143 4.565 17.160 1.00 1.22 C ATOM 197 CD GLN A 12 -1.645 4.939 18.554 1.00 11.04 C ATOM 198 OE1 GLN A 12 -2.167 6.032 18.776 1.00 72.13 O ATOM 199 NE2 GLN A 12 -1.498 4.032 19.501 1.00 41.32 N ATOM 0 H GLN A 12 0.269 7.444 14.720 1.00 24.24 H new ATOM 0 HA GLN A 12 0.764 4.708 15.115 1.00 42.33 H new ATOM 0 HB2 GLN A 12 0.092 6.315 16.887 1.00 51.33 H new ATOM 0 HB3 GLN A 12 -1.501 6.449 16.169 1.00 51.33 H new ATOM 0 HG2 GLN A 12 -1.942 4.056 16.622 1.00 1.22 H new ATOM 0 HG3 GLN A 12 -0.323 3.854 17.259 1.00 1.22 H new ATOM 0 HE21 GLN A 12 -1.061 3.136 19.285 1.00 41.32 H new ATOM 0 HE22 GLN A 12 -1.821 4.227 20.449 1.00 41.32 H new ATOM 208 N ARG A 13 -2.031 5.424 13.435 1.00 60.13 N ATOM 209 CA ARG A 13 -3.082 4.851 12.562 1.00 50.34 C ATOM 210 C ARG A 13 -2.445 4.052 11.423 1.00 31.24 C ATOM 211 O ARG A 13 -2.860 2.932 11.164 1.00 3.24 O ATOM 212 CB ARG A 13 -4.017 5.934 11.949 1.00 13.14 C ATOM 213 CG ARG A 13 -4.696 6.878 12.954 1.00 53.13 C ATOM 214 CD ARG A 13 -5.425 6.171 14.108 1.00 42.25 C ATOM 215 NE ARG A 13 -6.009 7.153 15.041 1.00 21.25 N ATOM 216 CZ ARG A 13 -6.119 7.006 16.369 1.00 51.12 C ATOM 217 NH1 ARG A 13 -5.693 5.905 16.976 1.00 64.34 N ATOM 218 NH2 ARG A 13 -6.669 7.972 17.086 1.00 71.12 N ATOM 0 H ARG A 13 -2.053 6.442 13.498 1.00 60.13 H new ATOM 0 HA ARG A 13 -3.688 4.204 13.196 1.00 50.34 H new ATOM 0 HB2 ARG A 13 -3.436 6.535 11.250 1.00 13.14 H new ATOM 0 HB3 ARG A 13 -4.792 5.432 11.370 1.00 13.14 H new ATOM 0 HG2 ARG A 13 -3.942 7.544 13.373 1.00 53.13 H new ATOM 0 HG3 ARG A 13 -5.411 7.503 12.419 1.00 53.13 H new ATOM 0 HD2 ARG A 13 -6.211 5.530 13.709 1.00 42.25 H new ATOM 0 HD3 ARG A 13 -4.728 5.525 14.642 1.00 42.25 H new ATOM 0 HE ARG A 13 -6.361 8.022 14.640 1.00 21.25 H new ATOM 0 HH11 ARG A 13 -5.273 5.152 16.431 1.00 64.34 H new ATOM 0 HH12 ARG A 13 -5.785 5.812 17.988 1.00 64.34 H new ATOM 0 HH21 ARG A 13 -7.005 8.819 16.628 1.00 71.12 H new ATOM 0 HH22 ARG A 13 -6.757 7.870 18.097 1.00 71.12 H new ATOM 232 N ILE A 14 -1.402 4.650 10.789 1.00 41.52 N ATOM 233 CA ILE A 14 -0.649 4.030 9.680 1.00 34.22 C ATOM 234 C ILE A 14 -0.127 2.647 10.109 1.00 21.52 C ATOM 235 O ILE A 14 -0.400 1.665 9.444 1.00 62.14 O ATOM 236 CB ILE A 14 0.561 4.942 9.211 1.00 0.42 C ATOM 237 CG1 ILE A 14 0.061 6.324 8.705 1.00 3.51 C ATOM 238 CG2 ILE A 14 1.406 4.251 8.115 1.00 30.03 C ATOM 239 CD1 ILE A 14 1.150 7.339 8.413 1.00 31.13 C ATOM 0 H ILE A 14 -1.063 5.579 11.038 1.00 41.52 H new ATOM 0 HA ILE A 14 -1.330 3.919 8.836 1.00 34.22 H new ATOM 0 HB ILE A 14 1.196 5.099 10.083 1.00 0.42 H new ATOM 0 HG12 ILE A 14 -0.523 6.171 7.798 1.00 3.51 H new ATOM 0 HG13 ILE A 14 -0.614 6.744 9.451 1.00 3.51 H new ATOM 0 HG21 ILE A 14 2.225 4.907 7.820 1.00 30.03 H new ATOM 0 HG22 ILE A 14 1.811 3.316 8.503 1.00 30.03 H new ATOM 0 HG23 ILE A 14 0.778 4.042 7.249 1.00 30.03 H new ATOM 0 HD11 ILE A 14 0.698 8.268 8.066 1.00 31.13 H new ATOM 0 HD12 ILE A 14 1.722 7.530 9.321 1.00 31.13 H new ATOM 0 HD13 ILE A 14 1.814 6.949 7.642 1.00 31.13 H new ATOM 251 N ALA A 15 0.540 2.605 11.280 1.00 70.33 N ATOM 252 CA ALA A 15 1.164 1.385 11.838 1.00 72.24 C ATOM 253 C ALA A 15 0.131 0.275 12.159 1.00 3.11 C ATOM 254 O ALA A 15 0.361 -0.911 11.852 1.00 53.53 O ATOM 255 CB ALA A 15 1.946 1.761 13.098 1.00 34.13 C ATOM 0 H ALA A 15 0.663 3.426 11.873 1.00 70.33 H new ATOM 0 HA ALA A 15 1.832 0.975 11.081 1.00 72.24 H new ATOM 0 HB1 ALA A 15 2.410 0.869 13.518 1.00 34.13 H new ATOM 0 HB2 ALA A 15 2.719 2.487 12.844 1.00 34.13 H new ATOM 0 HB3 ALA A 15 1.267 2.196 13.831 1.00 34.13 H new ATOM 261 N LEU A 16 -1.000 0.685 12.779 1.00 33.11 N ATOM 262 CA LEU A 16 -2.119 -0.219 13.133 1.00 42.14 C ATOM 263 C LEU A 16 -2.714 -0.848 11.862 1.00 75.14 C ATOM 264 O LEU A 16 -2.925 -2.071 11.792 1.00 73.24 O ATOM 265 CB LEU A 16 -3.221 0.567 13.911 1.00 34.21 C ATOM 266 CG LEU A 16 -2.799 1.159 15.296 1.00 54.41 C ATOM 267 CD1 LEU A 16 -3.909 2.064 15.887 1.00 12.01 C ATOM 268 CD2 LEU A 16 -2.392 0.043 16.285 1.00 53.13 C ATOM 0 H LEU A 16 -1.162 1.655 13.049 1.00 33.11 H new ATOM 0 HA LEU A 16 -1.738 -1.015 13.773 1.00 42.14 H new ATOM 0 HB2 LEU A 16 -3.568 1.385 13.280 1.00 34.21 H new ATOM 0 HB3 LEU A 16 -4.071 -0.098 14.067 1.00 34.21 H new ATOM 0 HG LEU A 16 -1.922 1.785 15.131 1.00 54.41 H new ATOM 0 HD11 LEU A 16 -3.583 2.459 16.849 1.00 12.01 H new ATOM 0 HD12 LEU A 16 -4.107 2.890 15.204 1.00 12.01 H new ATOM 0 HD13 LEU A 16 -4.820 1.481 16.024 1.00 12.01 H new ATOM 0 HD21 LEU A 16 -2.104 0.488 17.238 1.00 53.13 H new ATOM 0 HD22 LEU A 16 -3.234 -0.631 16.439 1.00 53.13 H new ATOM 0 HD23 LEU A 16 -1.550 -0.516 15.877 1.00 53.13 H new ATOM 280 N LEU A 17 -2.940 0.022 10.850 1.00 44.12 N ATOM 281 CA LEU A 17 -3.455 -0.368 9.533 1.00 2.31 C ATOM 282 C LEU A 17 -2.483 -1.340 8.855 1.00 62.23 C ATOM 283 O LEU A 17 -2.916 -2.385 8.397 1.00 3.31 O ATOM 284 CB LEU A 17 -3.705 0.888 8.635 1.00 41.20 C ATOM 285 CG LEU A 17 -4.851 1.842 9.112 1.00 13.34 C ATOM 286 CD1 LEU A 17 -4.863 3.164 8.318 1.00 41.22 C ATOM 287 CD2 LEU A 17 -6.223 1.143 9.058 1.00 74.11 C ATOM 0 H LEU A 17 -2.765 1.023 10.934 1.00 44.12 H new ATOM 0 HA LEU A 17 -4.412 -0.872 9.671 1.00 2.31 H new ATOM 0 HB2 LEU A 17 -2.780 1.461 8.577 1.00 41.20 H new ATOM 0 HB3 LEU A 17 -3.935 0.550 7.624 1.00 41.20 H new ATOM 0 HG LEU A 17 -4.648 2.093 10.153 1.00 13.34 H new ATOM 0 HD11 LEU A 17 -5.673 3.798 8.679 1.00 41.22 H new ATOM 0 HD12 LEU A 17 -3.911 3.678 8.453 1.00 41.22 H new ATOM 0 HD13 LEU A 17 -5.013 2.951 7.260 1.00 41.22 H new ATOM 0 HD21 LEU A 17 -6.996 1.833 9.396 1.00 74.11 H new ATOM 0 HD22 LEU A 17 -6.434 0.834 8.034 1.00 74.11 H new ATOM 0 HD23 LEU A 17 -6.211 0.267 9.706 1.00 74.11 H new ATOM 299 N SER A 18 -1.164 -1.004 8.897 1.00 54.43 N ATOM 300 CA SER A 18 -0.078 -1.771 8.242 1.00 31.54 C ATOM 301 C SER A 18 -0.133 -3.255 8.635 1.00 13.14 C ATOM 302 O SER A 18 -0.191 -4.137 7.771 1.00 1.23 O ATOM 303 CB SER A 18 1.314 -1.199 8.635 1.00 12.20 C ATOM 304 OG SER A 18 1.466 0.152 8.283 1.00 12.22 O ATOM 0 H SER A 18 -0.825 -0.181 9.395 1.00 54.43 H new ATOM 0 HA SER A 18 -0.221 -1.679 7.165 1.00 31.54 H new ATOM 0 HB2 SER A 18 1.456 -1.308 9.710 1.00 12.20 H new ATOM 0 HB3 SER A 18 2.093 -1.786 8.149 1.00 12.20 H new ATOM 0 HG SER A 18 0.938 0.710 8.891 1.00 12.22 H new ATOM 310 N GLN A 19 -0.145 -3.489 9.964 1.00 64.52 N ATOM 311 CA GLN A 19 -0.169 -4.836 10.550 1.00 11.33 C ATOM 312 C GLN A 19 -1.459 -5.577 10.159 1.00 31.21 C ATOM 313 O GLN A 19 -1.402 -6.725 9.698 1.00 34.23 O ATOM 314 CB GLN A 19 -0.027 -4.748 12.092 1.00 14.51 C ATOM 315 CG GLN A 19 -0.020 -6.115 12.808 1.00 71.23 C ATOM 316 CD GLN A 19 0.116 -5.987 14.323 1.00 72.43 C ATOM 317 OE1 GLN A 19 1.222 -5.985 14.864 1.00 12.13 O ATOM 318 NE2 GLN A 19 -1.007 -5.862 15.016 1.00 24.02 N ATOM 0 H GLN A 19 -0.138 -2.743 10.659 1.00 64.52 H new ATOM 0 HA GLN A 19 0.674 -5.404 10.156 1.00 11.33 H new ATOM 0 HB2 GLN A 19 0.897 -4.221 12.331 1.00 14.51 H new ATOM 0 HB3 GLN A 19 -0.847 -4.148 12.487 1.00 14.51 H new ATOM 0 HG2 GLN A 19 -0.942 -6.648 12.574 1.00 71.23 H new ATOM 0 HG3 GLN A 19 0.803 -6.718 12.423 1.00 71.23 H new ATOM 0 HE21 GLN A 19 -1.906 -5.868 14.535 1.00 24.02 H new ATOM 0 HE22 GLN A 19 -0.972 -5.760 16.030 1.00 24.02 H new ATOM 327 N SER A 20 -2.608 -4.877 10.304 1.00 64.21 N ATOM 328 CA SER A 20 -3.941 -5.444 10.022 1.00 12.23 C ATOM 329 C SER A 20 -4.054 -5.949 8.568 1.00 70.55 C ATOM 330 O SER A 20 -4.335 -7.128 8.339 1.00 51.44 O ATOM 331 CB SER A 20 -5.042 -4.395 10.313 1.00 23.53 C ATOM 332 OG SER A 20 -5.010 -3.985 11.672 1.00 14.03 O ATOM 0 H SER A 20 -2.634 -3.907 10.619 1.00 64.21 H new ATOM 0 HA SER A 20 -4.080 -6.302 10.680 1.00 12.23 H new ATOM 0 HB2 SER A 20 -4.904 -3.529 9.665 1.00 23.53 H new ATOM 0 HB3 SER A 20 -6.020 -4.815 10.080 1.00 23.53 H new ATOM 0 HG SER A 20 -4.304 -3.316 11.795 1.00 14.03 H new ATOM 338 N LEU A 21 -3.780 -5.051 7.598 1.00 15.21 N ATOM 339 CA LEU A 21 -3.929 -5.344 6.160 1.00 35.10 C ATOM 340 C LEU A 21 -2.872 -6.332 5.662 1.00 42.22 C ATOM 341 O LEU A 21 -3.100 -7.010 4.665 1.00 40.43 O ATOM 342 CB LEU A 21 -3.945 -4.026 5.322 1.00 53.24 C ATOM 343 CG LEU A 21 -2.726 -3.035 5.449 1.00 5.52 C ATOM 344 CD1 LEU A 21 -1.486 -3.498 4.684 1.00 4.24 C ATOM 345 CD2 LEU A 21 -3.115 -1.598 5.036 1.00 40.22 C ATOM 0 H LEU A 21 -3.450 -4.105 7.791 1.00 15.21 H new ATOM 0 HA LEU A 21 -4.893 -5.833 6.021 1.00 35.10 H new ATOM 0 HB2 LEU A 21 -4.038 -4.303 4.272 1.00 53.24 H new ATOM 0 HB3 LEU A 21 -4.848 -3.476 5.588 1.00 53.24 H new ATOM 0 HG LEU A 21 -2.459 -3.033 6.506 1.00 5.52 H new ATOM 0 HD11 LEU A 21 -0.685 -2.770 4.814 1.00 4.24 H new ATOM 0 HD12 LEU A 21 -1.162 -4.466 5.067 1.00 4.24 H new ATOM 0 HD13 LEU A 21 -1.725 -3.589 3.624 1.00 4.24 H new ATOM 0 HD21 LEU A 21 -2.249 -0.944 5.137 1.00 40.22 H new ATOM 0 HD22 LEU A 21 -3.453 -1.596 4.000 1.00 40.22 H new ATOM 0 HD23 LEU A 21 -3.918 -1.239 5.680 1.00 40.22 H new ATOM 357 N LEU A 22 -1.715 -6.390 6.352 1.00 4.12 N ATOM 358 CA LEU A 22 -0.653 -7.362 6.045 1.00 24.23 C ATOM 359 C LEU A 22 -1.158 -8.787 6.290 1.00 1.41 C ATOM 360 O LEU A 22 -0.968 -9.685 5.450 1.00 4.35 O ATOM 361 CB LEU A 22 0.601 -7.098 6.911 1.00 23.33 C ATOM 362 CG LEU A 22 1.785 -8.087 6.690 1.00 11.43 C ATOM 363 CD1 LEU A 22 2.327 -8.000 5.248 1.00 43.42 C ATOM 364 CD2 LEU A 22 2.888 -7.853 7.731 1.00 14.12 C ATOM 0 H LEU A 22 -1.494 -5.769 7.131 1.00 4.12 H new ATOM 0 HA LEU A 22 -0.381 -7.250 4.995 1.00 24.23 H new ATOM 0 HB2 LEU A 22 0.953 -6.086 6.712 1.00 23.33 H new ATOM 0 HB3 LEU A 22 0.311 -7.134 7.961 1.00 23.33 H new ATOM 0 HG LEU A 22 1.412 -9.102 6.828 1.00 11.43 H new ATOM 0 HD11 LEU A 22 3.152 -8.702 5.126 1.00 43.42 H new ATOM 0 HD12 LEU A 22 1.532 -8.249 4.545 1.00 43.42 H new ATOM 0 HD13 LEU A 22 2.680 -6.988 5.053 1.00 43.42 H new ATOM 0 HD21 LEU A 22 3.705 -8.554 7.559 1.00 14.12 H new ATOM 0 HD22 LEU A 22 3.261 -6.832 7.643 1.00 14.12 H new ATOM 0 HD23 LEU A 22 2.483 -8.007 8.731 1.00 14.12 H new ATOM 376 N GLU A 23 -1.809 -8.962 7.455 1.00 3.53 N ATOM 377 CA GLU A 23 -2.468 -10.214 7.830 1.00 53.44 C ATOM 378 C GLU A 23 -3.556 -10.564 6.800 1.00 64.42 C ATOM 379 O GLU A 23 -3.625 -11.694 6.340 1.00 0.51 O ATOM 380 CB GLU A 23 -3.053 -10.092 9.257 1.00 71.01 C ATOM 381 CG GLU A 23 -1.983 -9.846 10.341 1.00 62.53 C ATOM 382 CD GLU A 23 -2.592 -9.606 11.726 1.00 21.23 C ATOM 383 OE1 GLU A 23 -2.808 -10.586 12.476 1.00 73.25 O ATOM 384 OE2 GLU A 23 -2.862 -8.439 12.079 1.00 54.23 O ATOM 0 H GLU A 23 -1.889 -8.231 8.162 1.00 3.53 H new ATOM 0 HA GLU A 23 -1.739 -11.025 7.834 1.00 53.44 H new ATOM 0 HB2 GLU A 23 -3.774 -9.275 9.277 1.00 71.01 H new ATOM 0 HB3 GLU A 23 -3.599 -11.005 9.497 1.00 71.01 H new ATOM 0 HG2 GLU A 23 -1.313 -10.705 10.387 1.00 62.53 H new ATOM 0 HG3 GLU A 23 -1.378 -8.984 10.060 1.00 62.53 H new ATOM 391 N LEU A 24 -4.337 -9.548 6.392 1.00 11.31 N ATOM 392 CA LEU A 24 -5.432 -9.694 5.405 1.00 15.22 C ATOM 393 C LEU A 24 -4.899 -10.043 3.991 1.00 4.24 C ATOM 394 O LEU A 24 -5.576 -10.732 3.228 1.00 4.04 O ATOM 395 CB LEU A 24 -6.283 -8.393 5.387 1.00 72.42 C ATOM 396 CG LEU A 24 -6.914 -8.001 6.766 1.00 63.22 C ATOM 397 CD1 LEU A 24 -7.562 -6.600 6.724 1.00 5.34 C ATOM 398 CD2 LEU A 24 -7.905 -9.080 7.257 1.00 43.03 C ATOM 0 H LEU A 24 -4.229 -8.594 6.738 1.00 11.31 H new ATOM 0 HA LEU A 24 -6.062 -10.530 5.708 1.00 15.22 H new ATOM 0 HB2 LEU A 24 -5.656 -7.570 5.043 1.00 72.42 H new ATOM 0 HB3 LEU A 24 -7.084 -8.510 4.657 1.00 72.42 H new ATOM 0 HG LEU A 24 -6.103 -7.950 7.493 1.00 63.22 H new ATOM 0 HD11 LEU A 24 -7.988 -6.367 7.700 1.00 5.34 H new ATOM 0 HD12 LEU A 24 -6.806 -5.857 6.471 1.00 5.34 H new ATOM 0 HD13 LEU A 24 -8.350 -6.586 5.971 1.00 5.34 H new ATOM 0 HD21 LEU A 24 -8.326 -8.778 8.216 1.00 43.03 H new ATOM 0 HD22 LEU A 24 -8.708 -9.195 6.529 1.00 43.03 H new ATOM 0 HD23 LEU A 24 -7.382 -10.029 7.373 1.00 43.03 H new ATOM 410 N ALA A 25 -3.671 -9.595 3.673 1.00 62.14 N ATOM 411 CA ALA A 25 -3.021 -9.847 2.368 1.00 50.31 C ATOM 412 C ALA A 25 -2.580 -11.316 2.248 1.00 11.20 C ATOM 413 O ALA A 25 -2.820 -11.966 1.223 1.00 44.31 O ATOM 414 CB ALA A 25 -1.819 -8.902 2.177 1.00 61.23 C ATOM 0 H ALA A 25 -3.098 -9.046 4.314 1.00 62.14 H new ATOM 0 HA ALA A 25 -3.748 -9.649 1.580 1.00 50.31 H new ATOM 0 HB1 ALA A 25 -1.351 -9.099 1.213 1.00 61.23 H new ATOM 0 HB2 ALA A 25 -2.161 -7.867 2.210 1.00 61.23 H new ATOM 0 HB3 ALA A 25 -1.094 -9.070 2.973 1.00 61.23 H new ATOM 420 N GLN A 26 -1.936 -11.833 3.318 1.00 43.22 N ATOM 421 CA GLN A 26 -1.461 -13.240 3.376 1.00 11.10 C ATOM 422 C GLN A 26 -2.634 -14.219 3.616 1.00 22.13 C ATOM 423 O GLN A 26 -2.531 -15.402 3.295 1.00 35.23 O ATOM 424 CB GLN A 26 -0.354 -13.398 4.457 1.00 73.12 C ATOM 425 CG GLN A 26 -0.797 -13.099 5.905 1.00 51.51 C ATOM 426 CD GLN A 26 0.331 -13.127 6.947 1.00 61.20 C ATOM 427 OE1 GLN A 26 1.523 -12.689 6.573 1.00 25.33 O flip ATOM 428 NE2 GLN A 26 0.117 -13.498 8.100 1.00 22.44 N flip ATOM 0 H GLN A 26 -1.731 -11.295 4.160 1.00 43.22 H new ATOM 0 HA GLN A 26 -1.025 -13.493 2.410 1.00 11.10 H new ATOM 0 HB2 GLN A 26 0.028 -14.418 4.415 1.00 73.12 H new ATOM 0 HB3 GLN A 26 0.474 -12.736 4.204 1.00 73.12 H new ATOM 0 HG2 GLN A 26 -1.269 -12.117 5.929 1.00 51.51 H new ATOM 0 HG3 GLN A 26 -1.557 -13.825 6.194 1.00 51.51 H new ATOM 0 HE21 GLN A 26 -0.810 -13.832 8.365 1.00 22.44 H new ATOM 0 HE22 GLN A 26 0.866 -13.472 8.791 1.00 22.44 H new ATOM 437 N ARG A 27 -3.743 -13.699 4.184 1.00 34.21 N ATOM 438 CA ARG A 27 -5.028 -14.432 4.305 1.00 13.03 C ATOM 439 C ARG A 27 -5.705 -14.591 2.925 1.00 33.23 C ATOM 440 O ARG A 27 -6.506 -15.508 2.725 1.00 52.03 O ATOM 441 CB ARG A 27 -5.984 -13.668 5.272 1.00 54.22 C ATOM 442 CG ARG A 27 -5.695 -13.845 6.787 1.00 72.43 C ATOM 443 CD ARG A 27 -6.343 -15.103 7.372 1.00 41.05 C ATOM 444 NE ARG A 27 -7.812 -15.055 7.239 1.00 42.11 N ATOM 445 CZ ARG A 27 -8.676 -14.688 8.204 1.00 72.13 C ATOM 446 NH1 ARG A 27 -8.251 -14.333 9.417 1.00 65.12 N ATOM 447 NH2 ARG A 27 -9.973 -14.676 7.946 1.00 3.23 N ATOM 0 H ARG A 27 -3.776 -12.757 4.573 1.00 34.21 H new ATOM 0 HA ARG A 27 -4.819 -15.424 4.704 1.00 13.03 H new ATOM 0 HB2 ARG A 27 -5.937 -12.605 5.034 1.00 54.22 H new ATOM 0 HB3 ARG A 27 -7.005 -13.994 5.076 1.00 54.22 H new ATOM 0 HG2 ARG A 27 -4.617 -13.891 6.944 1.00 72.43 H new ATOM 0 HG3 ARG A 27 -6.059 -12.970 7.326 1.00 72.43 H new ATOM 0 HD2 ARG A 27 -5.957 -15.985 6.862 1.00 41.05 H new ATOM 0 HD3 ARG A 27 -6.073 -15.199 8.424 1.00 41.05 H new ATOM 0 HE ARG A 27 -8.207 -15.323 6.338 1.00 42.11 H new ATOM 0 HH11 ARG A 27 -7.253 -14.336 9.629 1.00 65.12 H new ATOM 0 HH12 ARG A 27 -8.924 -14.058 10.133 1.00 65.12 H new ATOM 0 HH21 ARG A 27 -10.312 -14.943 7.022 1.00 3.23 H new ATOM 0 HH22 ARG A 27 -10.635 -14.399 8.671 1.00 3.23 H new ATOM 461 N GLY A 28 -5.372 -13.678 1.988 1.00 70.03 N ATOM 462 CA GLY A 28 -6.001 -13.633 0.664 1.00 2.12 C ATOM 463 C GLY A 28 -7.269 -12.791 0.646 1.00 42.32 C ATOM 464 O GLY A 28 -8.001 -12.786 -0.349 1.00 31.14 O ATOM 0 H GLY A 28 -4.664 -12.959 2.133 1.00 70.03 H new ATOM 0 HA2 GLY A 28 -5.291 -13.229 -0.058 1.00 2.12 H new ATOM 0 HA3 GLY A 28 -6.239 -14.648 0.344 1.00 2.12 H new ATOM 468 N GLU A 29 -7.526 -12.086 1.769 1.00 12.44 N ATOM 469 CA GLU A 29 -8.678 -11.191 1.932 1.00 53.20 C ATOM 470 C GLU A 29 -8.429 -9.880 1.182 1.00 31.12 C ATOM 471 O GLU A 29 -7.852 -8.944 1.741 1.00 35.50 O ATOM 472 CB GLU A 29 -8.944 -10.911 3.441 1.00 53.03 C ATOM 473 CG GLU A 29 -9.191 -12.168 4.291 1.00 11.12 C ATOM 474 CD GLU A 29 -10.310 -13.058 3.724 1.00 44.33 C ATOM 475 OE1 GLU A 29 -10.017 -14.154 3.195 1.00 34.45 O ATOM 476 OE2 GLU A 29 -11.488 -12.646 3.778 1.00 65.30 O ATOM 0 H GLU A 29 -6.928 -12.127 2.594 1.00 12.44 H new ATOM 0 HA GLU A 29 -9.560 -11.676 1.514 1.00 53.20 H new ATOM 0 HB2 GLU A 29 -8.091 -10.372 3.853 1.00 53.03 H new ATOM 0 HB3 GLU A 29 -9.809 -10.254 3.528 1.00 53.03 H new ATOM 0 HG2 GLU A 29 -8.269 -12.746 4.353 1.00 11.12 H new ATOM 0 HG3 GLU A 29 -9.449 -11.870 5.307 1.00 11.12 H new ATOM 483 N TRP A 30 -8.833 -9.843 -0.099 1.00 25.43 N ATOM 484 CA TRP A 30 -8.590 -8.686 -0.973 1.00 63.34 C ATOM 485 C TRP A 30 -9.569 -7.546 -0.677 1.00 42.32 C ATOM 486 O TRP A 30 -9.188 -6.389 -0.743 1.00 12.43 O ATOM 487 CB TRP A 30 -8.648 -9.093 -2.470 1.00 41.21 C ATOM 488 CG TRP A 30 -7.750 -10.268 -2.829 1.00 72.14 C ATOM 489 CD1 TRP A 30 -8.106 -11.388 -3.534 1.00 71.11 C ATOM 490 CD2 TRP A 30 -6.357 -10.450 -2.482 1.00 52.40 C ATOM 491 NE1 TRP A 30 -7.037 -12.235 -3.649 1.00 63.01 N ATOM 492 CE2 TRP A 30 -5.958 -11.688 -3.015 1.00 3.54 C ATOM 493 CE3 TRP A 30 -5.409 -9.695 -1.775 1.00 53.22 C ATOM 494 CZ2 TRP A 30 -4.668 -12.184 -2.864 1.00 24.42 C ATOM 495 CZ3 TRP A 30 -4.127 -10.185 -1.630 1.00 4.13 C ATOM 496 CH2 TRP A 30 -3.767 -11.421 -2.171 1.00 14.24 C ATOM 0 H TRP A 30 -9.333 -10.607 -0.553 1.00 25.43 H new ATOM 0 HA TRP A 30 -7.584 -8.322 -0.762 1.00 63.34 H new ATOM 0 HB2 TRP A 30 -9.677 -9.344 -2.728 1.00 41.21 H new ATOM 0 HB3 TRP A 30 -8.367 -8.235 -3.080 1.00 41.21 H new ATOM 0 HD1 TRP A 30 -9.089 -11.575 -3.940 1.00 71.11 H new ATOM 0 HE1 TRP A 30 -7.045 -13.133 -4.132 1.00 63.01 H new ATOM 0 HE3 TRP A 30 -5.680 -8.740 -1.349 1.00 53.22 H new ATOM 0 HZ2 TRP A 30 -4.386 -13.140 -3.280 1.00 24.42 H new ATOM 0 HZ3 TRP A 30 -3.393 -9.605 -1.091 1.00 4.13 H new ATOM 0 HH2 TRP A 30 -2.758 -11.782 -2.040 1.00 14.24 H new ATOM 507 N ASP A 31 -10.825 -7.888 -0.333 1.00 54.32 N ATOM 508 CA ASP A 31 -11.863 -6.888 0.023 1.00 62.50 C ATOM 509 C ASP A 31 -11.443 -6.118 1.280 1.00 52.40 C ATOM 510 O ASP A 31 -11.517 -4.891 1.329 1.00 60.34 O ATOM 511 CB ASP A 31 -13.230 -7.573 0.269 1.00 44.34 C ATOM 512 CG ASP A 31 -13.696 -8.412 -0.927 1.00 51.13 C ATOM 513 OD1 ASP A 31 -13.362 -9.615 -0.994 1.00 0.11 O ATOM 514 OD2 ASP A 31 -14.393 -7.871 -1.814 1.00 10.23 O ATOM 0 H ASP A 31 -11.152 -8.853 -0.293 1.00 54.32 H new ATOM 0 HA ASP A 31 -11.965 -6.195 -0.812 1.00 62.50 H new ATOM 0 HB2 ASP A 31 -13.158 -8.212 1.149 1.00 44.34 H new ATOM 0 HB3 ASP A 31 -13.979 -6.812 0.487 1.00 44.34 H new ATOM 519 N LEU A 32 -10.973 -6.878 2.284 1.00 4.04 N ATOM 520 CA LEU A 32 -10.521 -6.329 3.568 1.00 23.43 C ATOM 521 C LEU A 32 -9.195 -5.553 3.406 1.00 60.32 C ATOM 522 O LEU A 32 -9.043 -4.480 3.986 1.00 41.23 O ATOM 523 CB LEU A 32 -10.403 -7.464 4.616 1.00 23.41 C ATOM 524 CG LEU A 32 -11.738 -8.172 5.011 1.00 32.51 C ATOM 525 CD1 LEU A 32 -11.486 -9.290 6.047 1.00 21.23 C ATOM 526 CD2 LEU A 32 -12.783 -7.153 5.531 1.00 45.52 C ATOM 0 H LEU A 32 -10.897 -7.893 2.225 1.00 4.04 H new ATOM 0 HA LEU A 32 -11.262 -5.614 3.927 1.00 23.43 H new ATOM 0 HB2 LEU A 32 -9.715 -8.217 4.231 1.00 23.41 H new ATOM 0 HB3 LEU A 32 -9.952 -7.052 5.519 1.00 23.41 H new ATOM 0 HG LEU A 32 -12.148 -8.634 4.113 1.00 32.51 H new ATOM 0 HD11 LEU A 32 -12.432 -9.767 6.305 1.00 21.23 H new ATOM 0 HD12 LEU A 32 -10.809 -10.032 5.624 1.00 21.23 H new ATOM 0 HD13 LEU A 32 -11.039 -8.861 6.944 1.00 21.23 H new ATOM 0 HD21 LEU A 32 -13.701 -7.677 5.798 1.00 45.52 H new ATOM 0 HD22 LEU A 32 -12.388 -6.643 6.410 1.00 45.52 H new ATOM 0 HD23 LEU A 32 -12.996 -6.421 4.752 1.00 45.52 H new ATOM 538 N LEU A 33 -8.261 -6.102 2.591 1.00 53.01 N ATOM 539 CA LEU A 33 -6.960 -5.453 2.270 1.00 24.01 C ATOM 540 C LEU A 33 -7.171 -4.066 1.627 1.00 22.43 C ATOM 541 O LEU A 33 -6.575 -3.071 2.055 1.00 52.52 O ATOM 542 CB LEU A 33 -6.124 -6.355 1.306 1.00 74.30 C ATOM 543 CG LEU A 33 -4.772 -5.755 0.775 1.00 30.22 C ATOM 544 CD1 LEU A 33 -3.766 -5.519 1.917 1.00 23.31 C ATOM 545 CD2 LEU A 33 -4.160 -6.638 -0.331 1.00 3.54 C ATOM 0 H LEU A 33 -8.386 -7.007 2.137 1.00 53.01 H new ATOM 0 HA LEU A 33 -6.416 -5.322 3.206 1.00 24.01 H new ATOM 0 HB2 LEU A 33 -5.903 -7.290 1.821 1.00 74.30 H new ATOM 0 HB3 LEU A 33 -6.747 -6.604 0.447 1.00 74.30 H new ATOM 0 HG LEU A 33 -5.002 -4.784 0.336 1.00 30.22 H new ATOM 0 HD11 LEU A 33 -2.844 -5.104 1.510 1.00 23.31 H new ATOM 0 HD12 LEU A 33 -4.191 -4.821 2.638 1.00 23.31 H new ATOM 0 HD13 LEU A 33 -3.550 -6.465 2.413 1.00 23.31 H new ATOM 0 HD21 LEU A 33 -3.226 -6.194 -0.676 1.00 3.54 H new ATOM 0 HD22 LEU A 33 -3.964 -7.634 0.066 1.00 3.54 H new ATOM 0 HD23 LEU A 33 -4.857 -6.711 -1.166 1.00 3.54 H new ATOM 557 N LEU A 34 -8.045 -4.024 0.605 1.00 1.04 N ATOM 558 CA LEU A 34 -8.318 -2.815 -0.193 1.00 1.04 C ATOM 559 C LEU A 34 -9.249 -1.837 0.553 1.00 22.13 C ATOM 560 O LEU A 34 -9.313 -0.650 0.210 1.00 43.44 O ATOM 561 CB LEU A 34 -8.903 -3.219 -1.569 1.00 20.35 C ATOM 562 CG LEU A 34 -7.969 -4.111 -2.455 1.00 5.14 C ATOM 563 CD1 LEU A 34 -8.709 -4.629 -3.705 1.00 50.31 C ATOM 564 CD2 LEU A 34 -6.664 -3.373 -2.833 1.00 34.11 C ATOM 0 H LEU A 34 -8.586 -4.836 0.307 1.00 1.04 H new ATOM 0 HA LEU A 34 -7.378 -2.287 -0.354 1.00 1.04 H new ATOM 0 HB2 LEU A 34 -9.839 -3.752 -1.405 1.00 20.35 H new ATOM 0 HB3 LEU A 34 -9.145 -2.312 -2.123 1.00 20.35 H new ATOM 0 HG LEU A 34 -7.686 -4.978 -1.858 1.00 5.14 H new ATOM 0 HD11 LEU A 34 -8.033 -5.245 -4.299 1.00 50.31 H new ATOM 0 HD12 LEU A 34 -9.568 -5.225 -3.398 1.00 50.31 H new ATOM 0 HD13 LEU A 34 -9.049 -3.783 -4.303 1.00 50.31 H new ATOM 0 HD21 LEU A 34 -6.043 -4.024 -3.448 1.00 34.11 H new ATOM 0 HD22 LEU A 34 -6.906 -2.469 -3.392 1.00 34.11 H new ATOM 0 HD23 LEU A 34 -6.122 -3.104 -1.926 1.00 34.11 H new ATOM 576 N GLN A 35 -9.969 -2.344 1.573 1.00 45.11 N ATOM 577 CA GLN A 35 -10.722 -1.495 2.516 1.00 14.23 C ATOM 578 C GLN A 35 -9.739 -0.675 3.371 1.00 52.44 C ATOM 579 O GLN A 35 -9.976 0.507 3.664 1.00 51.32 O ATOM 580 CB GLN A 35 -11.637 -2.366 3.425 1.00 3.12 C ATOM 581 CG GLN A 35 -12.508 -1.573 4.432 1.00 33.13 C ATOM 582 CD GLN A 35 -13.442 -0.527 3.790 1.00 53.34 C ATOM 583 OE1 GLN A 35 -13.723 0.511 4.386 1.00 43.51 O ATOM 584 NE2 GLN A 35 -13.948 -0.788 2.590 1.00 22.34 N ATOM 0 H GLN A 35 -10.045 -3.343 1.765 1.00 45.11 H new ATOM 0 HA GLN A 35 -11.357 -0.813 1.950 1.00 14.23 H new ATOM 0 HB2 GLN A 35 -12.294 -2.961 2.790 1.00 3.12 H new ATOM 0 HB3 GLN A 35 -11.012 -3.065 3.981 1.00 3.12 H new ATOM 0 HG2 GLN A 35 -13.112 -2.278 5.003 1.00 33.13 H new ATOM 0 HG3 GLN A 35 -11.852 -1.068 5.141 1.00 33.13 H new ATOM 0 HE21 GLN A 35 -13.703 -1.655 2.111 1.00 22.34 H new ATOM 0 HE22 GLN A 35 -14.581 -0.122 2.148 1.00 22.34 H new ATOM 593 N GLN A 36 -8.625 -1.325 3.754 1.00 44.45 N ATOM 594 CA GLN A 36 -7.567 -0.693 4.547 1.00 31.43 C ATOM 595 C GLN A 36 -6.652 0.168 3.653 1.00 41.13 C ATOM 596 O GLN A 36 -6.069 1.119 4.148 1.00 75.45 O ATOM 597 CB GLN A 36 -6.719 -1.751 5.292 1.00 71.11 C ATOM 598 CG GLN A 36 -7.500 -2.777 6.140 1.00 73.32 C ATOM 599 CD GLN A 36 -8.350 -2.176 7.255 1.00 23.45 C ATOM 600 OE1 GLN A 36 -8.030 -1.127 7.806 1.00 53.44 O ATOM 601 NE2 GLN A 36 -9.425 -2.856 7.617 1.00 24.30 N ATOM 0 H GLN A 36 -8.438 -2.300 3.521 1.00 44.45 H new ATOM 0 HA GLN A 36 -8.050 -0.051 5.284 1.00 31.43 H new ATOM 0 HB2 GLN A 36 -6.126 -2.295 4.556 1.00 71.11 H new ATOM 0 HB3 GLN A 36 -6.018 -1.230 5.944 1.00 71.11 H new ATOM 0 HG2 GLN A 36 -8.148 -3.354 5.480 1.00 73.32 H new ATOM 0 HG3 GLN A 36 -6.790 -3.477 6.581 1.00 73.32 H new ATOM 0 HE21 GLN A 36 -9.664 -3.725 7.139 1.00 24.30 H new ATOM 0 HE22 GLN A 36 -10.015 -2.512 8.374 1.00 24.30 H new ATOM 610 N GLU A 37 -6.545 -0.203 2.344 1.00 33.41 N ATOM 611 CA GLU A 37 -5.704 0.494 1.324 1.00 72.40 C ATOM 612 C GLU A 37 -5.903 2.015 1.364 1.00 62.31 C ATOM 613 O GLU A 37 -4.955 2.771 1.593 1.00 71.22 O ATOM 614 CB GLU A 37 -6.063 -0.014 -0.105 1.00 33.14 C ATOM 615 CG GLU A 37 -5.436 0.796 -1.277 1.00 40.52 C ATOM 616 CD GLU A 37 -5.999 0.475 -2.673 1.00 60.40 C ATOM 617 OE1 GLU A 37 -5.345 0.829 -3.679 1.00 53.32 O ATOM 618 OE2 GLU A 37 -7.125 -0.059 -2.777 1.00 3.32 O ATOM 0 H GLU A 37 -7.047 -1.005 1.963 1.00 33.41 H new ATOM 0 HA GLU A 37 -4.664 0.270 1.559 1.00 72.40 H new ATOM 0 HB2 GLU A 37 -5.746 -1.053 -0.193 1.00 33.14 H new ATOM 0 HB3 GLU A 37 -7.147 -0.001 -0.215 1.00 33.14 H new ATOM 0 HG2 GLU A 37 -5.580 1.858 -1.081 1.00 40.52 H new ATOM 0 HG3 GLU A 37 -4.361 0.617 -1.287 1.00 40.52 H new ATOM 625 N VAL A 38 -7.160 2.431 1.130 1.00 4.31 N ATOM 626 CA VAL A 38 -7.545 3.842 1.029 1.00 1.55 C ATOM 627 C VAL A 38 -7.206 4.610 2.321 1.00 21.45 C ATOM 628 O VAL A 38 -6.601 5.690 2.271 1.00 41.13 O ATOM 629 CB VAL A 38 -9.069 3.980 0.650 1.00 44.21 C ATOM 630 CG1 VAL A 38 -9.318 3.465 -0.789 1.00 31.13 C ATOM 631 CG2 VAL A 38 -9.990 3.242 1.658 1.00 65.32 C ATOM 0 H VAL A 38 -7.942 1.788 1.005 1.00 4.31 H new ATOM 0 HA VAL A 38 -6.963 4.295 0.227 1.00 1.55 H new ATOM 0 HB VAL A 38 -9.320 5.040 0.697 1.00 44.21 H new ATOM 0 HG11 VAL A 38 -10.375 3.568 -1.034 1.00 31.13 H new ATOM 0 HG12 VAL A 38 -8.724 4.049 -1.492 1.00 31.13 H new ATOM 0 HG13 VAL A 38 -9.030 2.416 -0.855 1.00 31.13 H new ATOM 0 HG21 VAL A 38 -11.030 3.364 1.357 1.00 65.32 H new ATOM 0 HG22 VAL A 38 -9.738 2.182 1.672 1.00 65.32 H new ATOM 0 HG23 VAL A 38 -9.849 3.661 2.654 1.00 65.32 H new ATOM 641 N SER A 39 -7.529 3.984 3.469 1.00 4.11 N ATOM 642 CA SER A 39 -7.260 4.523 4.805 1.00 51.14 C ATOM 643 C SER A 39 -5.746 4.738 5.008 1.00 43.41 C ATOM 644 O SER A 39 -5.304 5.812 5.400 1.00 14.32 O ATOM 645 CB SER A 39 -7.810 3.531 5.858 1.00 25.20 C ATOM 646 OG SER A 39 -9.152 3.169 5.564 1.00 14.33 O ATOM 0 H SER A 39 -7.992 3.075 3.488 1.00 4.11 H new ATOM 0 HA SER A 39 -7.752 5.489 4.916 1.00 51.14 H new ATOM 0 HB2 SER A 39 -7.186 2.638 5.882 1.00 25.20 H new ATOM 0 HB3 SER A 39 -7.760 3.982 6.849 1.00 25.20 H new ATOM 0 HG SER A 39 -9.477 2.540 6.242 1.00 14.33 H new ATOM 652 N TYR A 40 -4.988 3.705 4.627 1.00 14.23 N ATOM 653 CA TYR A 40 -3.548 3.556 4.885 1.00 61.20 C ATOM 654 C TYR A 40 -2.714 4.568 4.089 1.00 63.40 C ATOM 655 O TYR A 40 -1.967 5.365 4.676 1.00 12.40 O ATOM 656 CB TYR A 40 -3.166 2.102 4.518 1.00 32.52 C ATOM 657 CG TYR A 40 -1.684 1.745 4.591 1.00 5.40 C ATOM 658 CD1 TYR A 40 -0.975 1.852 5.783 1.00 41.52 C ATOM 659 CD2 TYR A 40 -1.008 1.245 3.471 1.00 64.22 C ATOM 660 CE1 TYR A 40 0.340 1.481 5.852 1.00 4.33 C ATOM 661 CE2 TYR A 40 0.316 0.881 3.543 1.00 11.33 C ATOM 662 CZ TYR A 40 0.981 0.997 4.740 1.00 72.23 C ATOM 663 OH TYR A 40 2.292 0.610 4.836 1.00 0.34 O ATOM 0 H TYR A 40 -5.375 2.916 4.109 1.00 14.23 H new ATOM 0 HA TYR A 40 -3.335 3.757 5.935 1.00 61.20 H new ATOM 0 HB2 TYR A 40 -3.711 1.429 5.180 1.00 32.52 H new ATOM 0 HB3 TYR A 40 -3.515 1.904 3.504 1.00 32.52 H new ATOM 0 HD1 TYR A 40 -1.469 2.233 6.665 1.00 41.52 H new ATOM 0 HD2 TYR A 40 -1.536 1.144 2.534 1.00 64.22 H new ATOM 0 HE1 TYR A 40 0.876 1.570 6.786 1.00 4.33 H new ATOM 0 HE2 TYR A 40 0.828 0.508 2.668 1.00 11.33 H new ATOM 0 HH TYR A 40 2.741 1.143 5.525 1.00 0.34 H new ATOM 673 N LEU A 41 -2.868 4.522 2.755 1.00 22.24 N ATOM 674 CA LEU A 41 -2.113 5.362 1.815 1.00 0.43 C ATOM 675 C LEU A 41 -2.425 6.851 2.050 1.00 21.13 C ATOM 676 O LEU A 41 -1.509 7.682 2.043 1.00 23.13 O ATOM 677 CB LEU A 41 -2.438 4.939 0.355 1.00 52.44 C ATOM 678 CG LEU A 41 -2.080 3.460 -0.023 1.00 45.13 C ATOM 679 CD1 LEU A 41 -2.587 3.101 -1.439 1.00 43.42 C ATOM 680 CD2 LEU A 41 -0.559 3.194 0.109 1.00 12.12 C ATOM 0 H LEU A 41 -3.527 3.894 2.296 1.00 22.24 H new ATOM 0 HA LEU A 41 -1.046 5.220 1.984 1.00 0.43 H new ATOM 0 HB2 LEU A 41 -3.503 5.091 0.181 1.00 52.44 H new ATOM 0 HB3 LEU A 41 -1.906 5.606 -0.323 1.00 52.44 H new ATOM 0 HG LEU A 41 -2.592 2.810 0.687 1.00 45.13 H new ATOM 0 HD11 LEU A 41 -2.322 2.069 -1.669 1.00 43.42 H new ATOM 0 HD12 LEU A 41 -3.670 3.215 -1.477 1.00 43.42 H new ATOM 0 HD13 LEU A 41 -2.126 3.766 -2.170 1.00 43.42 H new ATOM 0 HD21 LEU A 41 -0.346 2.160 -0.160 1.00 12.12 H new ATOM 0 HD22 LEU A 41 -0.014 3.862 -0.557 1.00 12.12 H new ATOM 0 HD23 LEU A 41 -0.246 3.373 1.138 1.00 12.12 H new ATOM 692 N GLN A 42 -3.719 7.165 2.308 1.00 23.52 N ATOM 693 CA GLN A 42 -4.159 8.543 2.607 1.00 22.41 C ATOM 694 C GLN A 42 -3.561 9.035 3.943 1.00 14.51 C ATOM 695 O GLN A 42 -3.184 10.206 4.051 1.00 61.42 O ATOM 696 CB GLN A 42 -5.699 8.627 2.653 1.00 74.31 C ATOM 697 CG GLN A 42 -6.268 10.056 2.813 1.00 45.12 C ATOM 698 CD GLN A 42 -7.787 10.110 3.008 1.00 72.03 C ATOM 699 OE1 GLN A 42 -8.297 11.011 3.676 1.00 41.40 O ATOM 700 NE2 GLN A 42 -8.526 9.176 2.411 1.00 32.12 N ATOM 0 H GLN A 42 -4.474 6.479 2.314 1.00 23.52 H new ATOM 0 HA GLN A 42 -3.798 9.189 1.807 1.00 22.41 H new ATOM 0 HB2 GLN A 42 -6.100 8.192 1.737 1.00 74.31 H new ATOM 0 HB3 GLN A 42 -6.057 8.014 3.480 1.00 74.31 H new ATOM 0 HG2 GLN A 42 -5.786 10.533 3.667 1.00 45.12 H new ATOM 0 HG3 GLN A 42 -6.005 10.640 1.931 1.00 45.12 H new ATOM 0 HE21 GLN A 42 -8.076 8.442 1.864 1.00 32.12 H new ATOM 0 HE22 GLN A 42 -9.542 9.195 2.501 1.00 32.12 H new ATOM 709 N SER A 43 -3.472 8.126 4.950 1.00 1.50 N ATOM 710 CA SER A 43 -2.868 8.436 6.270 1.00 32.41 C ATOM 711 C SER A 43 -1.382 8.838 6.128 1.00 71.45 C ATOM 712 O SER A 43 -0.902 9.751 6.824 1.00 21.21 O ATOM 713 CB SER A 43 -3.020 7.248 7.251 1.00 34.23 C ATOM 714 OG SER A 43 -4.377 7.025 7.598 1.00 22.41 O ATOM 0 H SER A 43 -3.813 7.168 4.870 1.00 1.50 H new ATOM 0 HA SER A 43 -3.410 9.287 6.683 1.00 32.41 H new ATOM 0 HB2 SER A 43 -2.607 6.347 6.798 1.00 34.23 H new ATOM 0 HB3 SER A 43 -2.441 7.445 8.153 1.00 34.23 H new ATOM 0 HG SER A 43 -4.798 6.454 6.922 1.00 22.41 H new ATOM 720 N ILE A 44 -0.673 8.159 5.210 1.00 53.50 N ATOM 721 CA ILE A 44 0.735 8.462 4.890 1.00 40.25 C ATOM 722 C ILE A 44 0.855 9.864 4.238 1.00 13.33 C ATOM 723 O ILE A 44 1.735 10.660 4.579 1.00 1.41 O ATOM 724 CB ILE A 44 1.346 7.360 3.945 1.00 62.54 C ATOM 725 CG1 ILE A 44 1.244 5.944 4.607 1.00 11.22 C ATOM 726 CG2 ILE A 44 2.808 7.701 3.579 1.00 20.33 C ATOM 727 CD1 ILE A 44 1.672 4.776 3.725 1.00 22.44 C ATOM 0 H ILE A 44 -1.058 7.385 4.669 1.00 53.50 H new ATOM 0 HA ILE A 44 1.302 8.463 5.821 1.00 40.25 H new ATOM 0 HB ILE A 44 0.767 7.341 3.022 1.00 62.54 H new ATOM 0 HG12 ILE A 44 1.856 5.939 5.509 1.00 11.22 H new ATOM 0 HG13 ILE A 44 0.213 5.782 4.920 1.00 11.22 H new ATOM 0 HG21 ILE A 44 3.210 6.926 2.926 1.00 20.33 H new ATOM 0 HG22 ILE A 44 2.840 8.662 3.065 1.00 20.33 H new ATOM 0 HG23 ILE A 44 3.407 7.756 4.488 1.00 20.33 H new ATOM 0 HD11 ILE A 44 1.563 3.843 4.278 1.00 22.44 H new ATOM 0 HD12 ILE A 44 1.046 4.745 2.834 1.00 22.44 H new ATOM 0 HD13 ILE A 44 2.714 4.904 3.432 1.00 22.44 H new ATOM 739 N GLU A 45 -0.066 10.158 3.317 1.00 62.14 N ATOM 740 CA GLU A 45 -0.094 11.434 2.578 1.00 53.31 C ATOM 741 C GLU A 45 -0.457 12.624 3.489 1.00 0.22 C ATOM 742 O GLU A 45 0.079 13.727 3.317 1.00 74.41 O ATOM 743 CB GLU A 45 -1.089 11.325 1.404 1.00 4.52 C ATOM 744 CG GLU A 45 -0.692 10.272 0.351 1.00 14.41 C ATOM 745 CD GLU A 45 -1.762 10.103 -0.729 1.00 63.11 C ATOM 746 OE1 GLU A 45 -1.744 10.857 -1.729 1.00 63.24 O ATOM 747 OE2 GLU A 45 -2.642 9.234 -0.574 1.00 21.31 O ATOM 0 H GLU A 45 -0.818 9.519 3.058 1.00 62.14 H new ATOM 0 HA GLU A 45 0.908 11.625 2.193 1.00 53.31 H new ATOM 0 HB2 GLU A 45 -2.075 11.079 1.797 1.00 4.52 H new ATOM 0 HB3 GLU A 45 -1.173 12.297 0.919 1.00 4.52 H new ATOM 0 HG2 GLU A 45 0.249 10.564 -0.115 1.00 14.41 H new ATOM 0 HG3 GLU A 45 -0.521 9.315 0.843 1.00 14.41 H new ATOM 754 N THR A 46 -1.350 12.388 4.470 1.00 35.14 N ATOM 755 CA THR A 46 -1.870 13.454 5.346 1.00 73.12 C ATOM 756 C THR A 46 -0.851 13.812 6.455 1.00 74.54 C ATOM 757 O THR A 46 -0.785 14.976 6.876 1.00 1.13 O ATOM 758 CB THR A 46 -3.283 13.093 5.939 1.00 15.34 C ATOM 759 OG1 THR A 46 -3.866 14.234 6.575 1.00 22.24 O ATOM 760 CG2 THR A 46 -3.236 11.947 6.950 1.00 0.12 C ATOM 0 H THR A 46 -1.727 11.463 4.676 1.00 35.14 H new ATOM 0 HA THR A 46 -2.010 14.343 4.731 1.00 73.12 H new ATOM 0 HB THR A 46 -3.888 12.771 5.092 1.00 15.34 H new ATOM 0 HG1 THR A 46 -4.744 13.994 6.937 1.00 22.24 H new ATOM 0 HG21 THR A 46 -4.241 11.748 7.321 1.00 0.12 H new ATOM 0 HG22 THR A 46 -2.843 11.052 6.468 1.00 0.12 H new ATOM 0 HG23 THR A 46 -2.590 12.223 7.783 1.00 0.12 H new ATOM 768 N VAL A 47 -0.033 12.830 6.919 1.00 35.14 N ATOM 769 CA VAL A 47 1.103 13.141 7.828 1.00 3.13 C ATOM 770 C VAL A 47 2.212 13.883 7.055 1.00 75.41 C ATOM 771 O VAL A 47 2.895 14.743 7.621 1.00 54.13 O ATOM 772 CB VAL A 47 1.711 11.879 8.561 1.00 5.55 C ATOM 773 CG1 VAL A 47 0.680 11.218 9.487 1.00 72.12 C ATOM 774 CG2 VAL A 47 2.290 10.852 7.570 1.00 60.03 C ATOM 0 H VAL A 47 -0.134 11.842 6.687 1.00 35.14 H new ATOM 0 HA VAL A 47 0.692 13.777 8.612 1.00 3.13 H new ATOM 0 HB VAL A 47 2.537 12.242 9.173 1.00 5.55 H new ATOM 0 HG11 VAL A 47 1.131 10.354 9.975 1.00 72.12 H new ATOM 0 HG12 VAL A 47 0.358 11.934 10.243 1.00 72.12 H new ATOM 0 HG13 VAL A 47 -0.181 10.896 8.902 1.00 72.12 H new ATOM 0 HG21 VAL A 47 2.696 10.003 8.121 1.00 60.03 H new ATOM 0 HG22 VAL A 47 1.501 10.507 6.901 1.00 60.03 H new ATOM 0 HG23 VAL A 47 3.083 11.318 6.985 1.00 60.03 H new ATOM 784 N MET A 48 2.369 13.540 5.754 1.00 2.40 N ATOM 785 CA MET A 48 3.317 14.216 4.847 1.00 4.04 C ATOM 786 C MET A 48 2.792 15.579 4.359 1.00 42.03 C ATOM 787 O MET A 48 3.562 16.362 3.801 1.00 42.03 O ATOM 788 CB MET A 48 3.682 13.296 3.657 1.00 73.03 C ATOM 789 CG MET A 48 4.547 12.103 4.066 1.00 13.31 C ATOM 790 SD MET A 48 6.043 12.630 4.936 1.00 30.43 S ATOM 791 CE MET A 48 6.866 11.069 5.228 1.00 23.21 C ATOM 0 H MET A 48 1.842 12.789 5.309 1.00 2.40 H new ATOM 0 HA MET A 48 4.223 14.419 5.418 1.00 4.04 H new ATOM 0 HB2 MET A 48 2.766 12.931 3.193 1.00 73.03 H new ATOM 0 HB3 MET A 48 4.211 13.879 2.903 1.00 73.03 H new ATOM 0 HG2 MET A 48 3.969 11.437 4.706 1.00 13.31 H new ATOM 0 HG3 MET A 48 4.823 11.533 3.179 1.00 13.31 H new ATOM 0 HE1 MET A 48 7.944 11.204 5.139 1.00 23.21 H new ATOM 0 HE2 MET A 48 6.626 10.713 6.230 1.00 23.21 H new ATOM 0 HE3 MET A 48 6.530 10.338 4.493 1.00 23.21 H new ATOM 801 N GLU A 49 1.492 15.861 4.578 1.00 42.25 N ATOM 802 CA GLU A 49 0.929 17.218 4.388 1.00 24.35 C ATOM 803 C GLU A 49 1.510 18.177 5.454 1.00 32.43 C ATOM 804 O GLU A 49 1.743 19.363 5.181 1.00 4.33 O ATOM 805 CB GLU A 49 -0.634 17.139 4.437 1.00 51.52 C ATOM 806 CG GLU A 49 -1.420 18.484 4.299 1.00 63.14 C ATOM 807 CD GLU A 49 -1.593 19.292 5.611 1.00 64.33 C ATOM 808 OE1 GLU A 49 -1.463 18.713 6.706 1.00 32.00 O ATOM 809 OE2 GLU A 49 -1.883 20.502 5.550 1.00 3.32 O ATOM 0 H GLU A 49 0.810 15.168 4.887 1.00 42.25 H new ATOM 0 HA GLU A 49 1.208 17.616 3.413 1.00 24.35 H new ATOM 0 HB2 GLU A 49 -0.964 16.471 3.641 1.00 51.52 H new ATOM 0 HB3 GLU A 49 -0.920 16.675 5.381 1.00 51.52 H new ATOM 0 HG2 GLU A 49 -0.907 19.112 3.571 1.00 63.14 H new ATOM 0 HG3 GLU A 49 -2.408 18.268 3.893 1.00 63.14 H new ATOM 816 N LYS A 50 1.770 17.629 6.659 1.00 50.32 N ATOM 817 CA LYS A 50 2.484 18.341 7.741 1.00 11.04 C ATOM 818 C LYS A 50 4.008 18.114 7.636 1.00 62.15 C ATOM 819 O LYS A 50 4.776 18.868 8.235 1.00 1.10 O ATOM 820 CB LYS A 50 1.952 17.911 9.143 1.00 63.51 C ATOM 821 CG LYS A 50 0.572 18.502 9.509 1.00 45.12 C ATOM 822 CD LYS A 50 0.562 20.051 9.458 1.00 72.42 C ATOM 823 CE LYS A 50 -0.792 20.665 9.857 1.00 2.20 C ATOM 824 NZ LYS A 50 -1.918 20.163 9.032 1.00 44.01 N ATOM 0 H LYS A 50 1.491 16.681 6.910 1.00 50.32 H new ATOM 0 HA LYS A 50 2.292 19.408 7.624 1.00 11.04 H new ATOM 0 HB2 LYS A 50 1.889 16.823 9.177 1.00 63.51 H new ATOM 0 HB3 LYS A 50 2.675 18.212 9.901 1.00 63.51 H new ATOM 0 HG2 LYS A 50 -0.180 18.113 8.823 1.00 45.12 H new ATOM 0 HG3 LYS A 50 0.292 18.172 10.509 1.00 45.12 H new ATOM 0 HD2 LYS A 50 1.337 20.434 10.122 1.00 72.42 H new ATOM 0 HD3 LYS A 50 0.817 20.376 8.449 1.00 72.42 H new ATOM 0 HE2 LYS A 50 -0.990 20.445 10.906 1.00 2.20 H new ATOM 0 HE3 LYS A 50 -0.735 21.750 9.764 1.00 2.20 H new ATOM 0 HZ1 LYS A 50 -2.584 20.940 8.844 1.00 44.01 H new ATOM 0 HZ2 LYS A 50 -1.551 19.796 8.131 1.00 44.01 H new ATOM 0 HZ3 LYS A 50 -2.409 19.401 9.542 1.00 44.01 H new ATOM 838 N GLN A 51 4.407 17.060 6.876 1.00 22.14 N ATOM 839 CA GLN A 51 5.820 16.683 6.565 1.00 24.13 C ATOM 840 C GLN A 51 6.752 16.769 7.798 1.00 54.20 C ATOM 841 O GLN A 51 7.921 17.156 7.684 1.00 74.00 O ATOM 842 CB GLN A 51 6.367 17.483 5.325 1.00 25.20 C ATOM 843 CG GLN A 51 6.499 19.016 5.499 1.00 2.35 C ATOM 844 CD GLN A 51 7.009 19.753 4.252 1.00 74.04 C ATOM 845 OE1 GLN A 51 6.776 19.339 3.115 1.00 23.33 O ATOM 846 NE2 GLN A 51 7.712 20.849 4.462 1.00 61.54 N ATOM 0 H GLN A 51 3.734 16.425 6.446 1.00 22.14 H new ATOM 0 HA GLN A 51 5.814 15.629 6.285 1.00 24.13 H new ATOM 0 HB2 GLN A 51 7.347 17.083 5.066 1.00 25.20 H new ATOM 0 HB3 GLN A 51 5.710 17.291 4.477 1.00 25.20 H new ATOM 0 HG2 GLN A 51 5.526 19.423 5.775 1.00 2.35 H new ATOM 0 HG3 GLN A 51 7.176 19.219 6.329 1.00 2.35 H new ATOM 0 HE21 GLN A 51 7.888 21.167 5.415 1.00 61.54 H new ATOM 0 HE22 GLN A 51 8.079 21.379 3.671 1.00 61.54 H new ATOM 855 N THR A 52 6.194 16.334 8.957 1.00 74.24 N ATOM 856 CA THR A 52 6.829 16.411 10.287 1.00 22.55 C ATOM 857 C THR A 52 6.958 17.889 10.762 1.00 34.43 C ATOM 858 O THR A 52 7.829 18.614 10.276 1.00 31.21 O ATOM 859 CB THR A 52 8.216 15.667 10.336 1.00 40.11 C ATOM 860 OG1 THR A 52 8.051 14.322 9.856 1.00 23.34 O ATOM 861 CG2 THR A 52 8.820 15.631 11.756 1.00 14.22 C ATOM 0 H THR A 52 5.267 15.910 8.987 1.00 74.24 H new ATOM 0 HA THR A 52 6.172 15.889 10.983 1.00 22.55 H new ATOM 0 HB THR A 52 8.907 16.223 9.702 1.00 40.11 H new ATOM 0 HG1 THR A 52 8.407 14.253 8.946 1.00 23.34 H new ATOM 0 HG21 THR A 52 9.775 15.107 11.732 1.00 14.22 H new ATOM 0 HG22 THR A 52 8.974 16.650 12.112 1.00 14.22 H new ATOM 0 HG23 THR A 52 8.138 15.111 12.429 1.00 14.22 H new ATOM 869 N PRO A 53 6.046 18.370 11.685 1.00 21.32 N ATOM 870 CA PRO A 53 6.157 19.716 12.331 1.00 23.45 C ATOM 871 C PRO A 53 7.548 19.992 12.974 1.00 75.51 C ATOM 872 O PRO A 53 8.275 19.047 13.291 1.00 22.42 O ATOM 873 CB PRO A 53 5.043 19.674 13.417 1.00 34.22 C ATOM 874 CG PRO A 53 4.019 18.731 12.864 1.00 34.21 C ATOM 875 CD PRO A 53 4.807 17.665 12.135 1.00 1.24 C ATOM 0 HA PRO A 53 6.046 20.519 11.602 1.00 23.45 H new ATOM 0 HB2 PRO A 53 5.432 19.322 14.372 1.00 34.22 H new ATOM 0 HB3 PRO A 53 4.620 20.663 13.590 1.00 34.22 H new ATOM 0 HG2 PRO A 53 3.414 18.297 13.660 1.00 34.21 H new ATOM 0 HG3 PRO A 53 3.335 19.245 12.188 1.00 34.21 H new ATOM 0 HD2 PRO A 53 5.042 16.825 12.789 1.00 1.24 H new ATOM 0 HD3 PRO A 53 4.248 17.264 11.290 1.00 1.24 H new ATOM 883 N PRO A 54 7.961 21.292 13.139 1.00 12.21 N ATOM 884 CA PRO A 54 9.222 21.654 13.846 1.00 53.40 C ATOM 885 C PRO A 54 9.208 21.234 15.336 1.00 71.02 C ATOM 886 O PRO A 54 10.226 20.778 15.875 1.00 63.44 O ATOM 887 CB PRO A 54 9.303 23.203 13.689 1.00 60.35 C ATOM 888 CG PRO A 54 8.383 23.526 12.544 1.00 52.54 C ATOM 889 CD PRO A 54 7.270 22.505 12.621 1.00 53.32 C ATOM 0 HA PRO A 54 10.087 21.138 13.429 1.00 53.40 H new ATOM 0 HB2 PRO A 54 8.990 23.709 14.602 1.00 60.35 H new ATOM 0 HB3 PRO A 54 10.323 23.526 13.479 1.00 60.35 H new ATOM 0 HG2 PRO A 54 7.992 24.540 12.628 1.00 52.54 H new ATOM 0 HG3 PRO A 54 8.907 23.465 11.590 1.00 52.54 H new ATOM 0 HD2 PRO A 54 6.471 22.829 13.287 1.00 53.32 H new ATOM 0 HD3 PRO A 54 6.819 22.326 11.645 1.00 53.32 H new ATOM 897 N GLY A 55 8.033 21.387 15.982 1.00 71.42 N ATOM 898 CA GLY A 55 7.864 21.101 17.409 1.00 32.13 C ATOM 899 C GLY A 55 7.597 19.625 17.697 1.00 52.45 C ATOM 900 O GLY A 55 6.490 19.261 18.117 1.00 44.34 O ATOM 0 H GLY A 55 7.181 21.712 15.524 1.00 71.42 H new ATOM 0 HA2 GLY A 55 8.761 21.413 17.945 1.00 32.13 H new ATOM 0 HA3 GLY A 55 7.037 21.696 17.797 1.00 32.13 H new ATOM 904 N ILE A 56 8.611 18.771 17.439 1.00 14.12 N ATOM 905 CA ILE A 56 8.578 17.325 17.740 1.00 40.32 C ATOM 906 C ILE A 56 9.711 17.015 18.737 1.00 15.35 C ATOM 907 O ILE A 56 10.889 17.162 18.393 1.00 2.34 O ATOM 908 CB ILE A 56 8.758 16.452 16.431 1.00 44.35 C ATOM 909 CG1 ILE A 56 7.691 16.816 15.346 1.00 55.02 C ATOM 910 CG2 ILE A 56 8.737 14.931 16.741 1.00 14.44 C ATOM 911 CD1 ILE A 56 6.246 16.662 15.770 1.00 4.51 C ATOM 0 H ILE A 56 9.486 19.071 17.010 1.00 14.12 H new ATOM 0 HA ILE A 56 7.607 17.073 18.167 1.00 40.32 H new ATOM 0 HB ILE A 56 9.742 16.690 16.026 1.00 44.35 H new ATOM 0 HG12 ILE A 56 7.852 17.849 15.037 1.00 55.02 H new ATOM 0 HG13 ILE A 56 7.862 16.190 14.470 1.00 55.02 H new ATOM 0 HG21 ILE A 56 8.864 14.369 15.816 1.00 14.44 H new ATOM 0 HG22 ILE A 56 9.549 14.688 17.427 1.00 14.44 H new ATOM 0 HG23 ILE A 56 7.784 14.666 17.199 1.00 14.44 H new ATOM 0 HD11 ILE A 56 5.593 16.940 14.943 1.00 4.51 H new ATOM 0 HD12 ILE A 56 6.057 15.625 16.049 1.00 4.51 H new ATOM 0 HD13 ILE A 56 6.046 17.309 16.624 1.00 4.51 H new ATOM 923 N THR A 57 9.350 16.623 19.971 1.00 43.23 N ATOM 924 CA THR A 57 10.323 16.244 21.016 1.00 12.21 C ATOM 925 C THR A 57 10.851 14.813 20.754 1.00 61.34 C ATOM 926 O THR A 57 10.300 14.100 19.911 1.00 11.20 O ATOM 927 CB THR A 57 9.681 16.352 22.446 1.00 53.43 C ATOM 928 OG1 THR A 57 10.678 16.146 23.457 1.00 21.31 O ATOM 929 CG2 THR A 57 8.533 15.350 22.658 1.00 53.11 C ATOM 0 H THR A 57 8.378 16.559 20.274 1.00 43.23 H new ATOM 0 HA THR A 57 11.163 16.937 20.977 1.00 12.21 H new ATOM 0 HB THR A 57 9.265 17.357 22.525 1.00 53.43 H new ATOM 0 HG1 THR A 57 10.265 16.218 24.343 1.00 21.31 H new ATOM 0 HG21 THR A 57 8.127 15.469 23.662 1.00 53.11 H new ATOM 0 HG22 THR A 57 7.748 15.536 21.925 1.00 53.11 H new ATOM 0 HG23 THR A 57 8.910 14.334 22.537 1.00 53.11 H new ATOM 937 N ARG A 58 11.887 14.394 21.510 1.00 4.21 N ATOM 938 CA ARG A 58 12.578 13.092 21.300 1.00 30.33 C ATOM 939 C ARG A 58 11.670 11.893 21.651 1.00 51.00 C ATOM 940 O ARG A 58 11.865 10.796 21.127 1.00 5.12 O ATOM 941 CB ARG A 58 13.920 13.005 22.105 1.00 74.04 C ATOM 942 CG ARG A 58 13.813 12.768 23.643 1.00 51.00 C ATOM 943 CD ARG A 58 13.174 13.931 24.420 1.00 25.22 C ATOM 944 NE ARG A 58 13.857 15.216 24.171 1.00 62.22 N ATOM 945 CZ ARG A 58 13.580 16.376 24.785 1.00 74.44 C ATOM 946 NH1 ARG A 58 12.627 16.455 25.716 1.00 34.04 N ATOM 947 NH2 ARG A 58 14.248 17.466 24.443 1.00 51.20 N ATOM 0 H ARG A 58 12.271 14.941 22.281 1.00 4.21 H new ATOM 0 HA ARG A 58 12.814 13.041 20.237 1.00 30.33 H new ATOM 0 HB2 ARG A 58 14.518 12.199 21.680 1.00 74.04 H new ATOM 0 HB3 ARG A 58 14.472 13.931 21.943 1.00 74.04 H new ATOM 0 HG2 ARG A 58 13.229 11.864 23.820 1.00 51.00 H new ATOM 0 HG3 ARG A 58 14.811 12.586 24.041 1.00 51.00 H new ATOM 0 HD2 ARG A 58 12.125 14.020 24.138 1.00 25.22 H new ATOM 0 HD3 ARG A 58 13.200 13.709 25.487 1.00 25.22 H new ATOM 0 HE ARG A 58 14.602 15.222 23.474 1.00 62.22 H new ATOM 0 HH11 ARG A 58 12.094 15.624 25.972 1.00 34.04 H new ATOM 0 HH12 ARG A 58 12.432 17.347 26.171 1.00 34.04 H new ATOM 0 HH21 ARG A 58 14.965 17.419 23.719 1.00 51.20 H new ATOM 0 HH22 ARG A 58 14.046 18.354 24.903 1.00 51.20 H new ATOM 961 N SER A 59 10.681 12.132 22.535 1.00 73.12 N ATOM 962 CA SER A 59 9.702 11.116 22.948 1.00 63.40 C ATOM 963 C SER A 59 8.706 10.830 21.808 1.00 5.40 C ATOM 964 O SER A 59 8.440 9.671 21.479 1.00 22.41 O ATOM 965 CB SER A 59 8.970 11.594 24.214 1.00 15.24 C ATOM 966 OG SER A 59 8.100 10.604 24.720 1.00 2.22 O ATOM 0 H SER A 59 10.541 13.038 22.982 1.00 73.12 H new ATOM 0 HA SER A 59 10.222 10.185 23.174 1.00 63.40 H new ATOM 0 HB2 SER A 59 9.701 11.861 24.978 1.00 15.24 H new ATOM 0 HB3 SER A 59 8.402 12.496 23.987 1.00 15.24 H new ATOM 0 HG SER A 59 7.653 10.941 25.524 1.00 2.22 H new ATOM 972 N ILE A 60 8.186 11.916 21.198 1.00 11.21 N ATOM 973 CA ILE A 60 7.244 11.847 20.063 1.00 5.23 C ATOM 974 C ILE A 60 7.953 11.282 18.822 1.00 43.40 C ATOM 975 O ILE A 60 7.392 10.448 18.112 1.00 22.31 O ATOM 976 CB ILE A 60 6.606 13.262 19.773 1.00 12.53 C ATOM 977 CG1 ILE A 60 5.719 13.693 20.987 1.00 35.51 C ATOM 978 CG2 ILE A 60 5.795 13.282 18.448 1.00 5.11 C ATOM 979 CD1 ILE A 60 5.119 15.078 20.875 1.00 64.14 C ATOM 0 H ILE A 60 8.410 12.870 21.481 1.00 11.21 H new ATOM 0 HA ILE A 60 6.429 11.172 20.324 1.00 5.23 H new ATOM 0 HB ILE A 60 7.416 13.980 19.647 1.00 12.53 H new ATOM 0 HG12 ILE A 60 4.911 12.971 21.103 1.00 35.51 H new ATOM 0 HG13 ILE A 60 6.322 13.646 21.894 1.00 35.51 H new ATOM 0 HG21 ILE A 60 5.376 14.276 18.293 1.00 5.11 H new ATOM 0 HG22 ILE A 60 6.452 13.031 17.615 1.00 5.11 H new ATOM 0 HG23 ILE A 60 4.987 12.553 18.505 1.00 5.11 H new ATOM 0 HD11 ILE A 60 4.521 15.288 21.762 1.00 64.14 H new ATOM 0 HD12 ILE A 60 5.918 15.815 20.793 1.00 64.14 H new ATOM 0 HD13 ILE A 60 4.485 15.130 19.990 1.00 64.14 H new ATOM 991 N GLN A 61 9.206 11.736 18.621 1.00 14.01 N ATOM 992 CA GLN A 61 10.124 11.239 17.583 1.00 64.02 C ATOM 993 C GLN A 61 10.298 9.710 17.692 1.00 11.35 C ATOM 994 O GLN A 61 10.212 9.004 16.694 1.00 44.23 O ATOM 995 CB GLN A 61 11.495 11.948 17.746 1.00 32.43 C ATOM 996 CG GLN A 61 12.627 11.423 16.843 1.00 64.13 C ATOM 997 CD GLN A 61 14.002 11.929 17.272 1.00 52.04 C ATOM 998 OE1 GLN A 61 14.670 11.300 18.094 1.00 21.31 O ATOM 999 NE2 GLN A 61 14.432 13.057 16.724 1.00 63.10 N ATOM 0 H GLN A 61 9.615 12.476 19.191 1.00 14.01 H new ATOM 0 HA GLN A 61 9.708 11.459 16.600 1.00 64.02 H new ATOM 0 HB2 GLN A 61 11.360 13.011 17.548 1.00 32.43 H new ATOM 0 HB3 GLN A 61 11.811 11.855 18.785 1.00 32.43 H new ATOM 0 HG2 GLN A 61 12.624 10.333 16.859 1.00 64.13 H new ATOM 0 HG3 GLN A 61 12.437 11.727 15.814 1.00 64.13 H new ATOM 0 HE21 GLN A 61 13.850 13.549 16.047 1.00 63.10 H new ATOM 0 HE22 GLN A 61 15.345 13.432 16.980 1.00 63.10 H new ATOM 1008 N ASP A 62 10.522 9.233 18.935 1.00 52.31 N ATOM 1009 CA ASP A 62 10.686 7.801 19.251 1.00 52.22 C ATOM 1010 C ASP A 62 9.439 6.985 18.855 1.00 41.12 C ATOM 1011 O ASP A 62 9.558 5.949 18.184 1.00 21.31 O ATOM 1012 CB ASP A 62 10.993 7.624 20.766 1.00 44.43 C ATOM 1013 CG ASP A 62 10.902 6.158 21.237 1.00 24.54 C ATOM 1014 OD1 ASP A 62 9.893 5.783 21.877 1.00 51.31 O ATOM 1015 OD2 ASP A 62 11.833 5.372 20.957 1.00 23.44 O ATOM 0 H ASP A 62 10.594 9.838 19.753 1.00 52.31 H new ATOM 0 HA ASP A 62 11.525 7.421 18.668 1.00 52.22 H new ATOM 0 HB2 ASP A 62 11.993 8.004 20.974 1.00 44.43 H new ATOM 0 HB3 ASP A 62 10.295 8.229 21.345 1.00 44.43 H new ATOM 1020 N MET A 63 8.250 7.477 19.276 1.00 53.40 N ATOM 1021 CA MET A 63 6.960 6.796 19.035 1.00 44.34 C ATOM 1022 C MET A 63 6.712 6.636 17.536 1.00 11.43 C ATOM 1023 O MET A 63 6.531 5.514 17.042 1.00 41.01 O ATOM 1024 CB MET A 63 5.770 7.574 19.661 1.00 0.23 C ATOM 1025 CG MET A 63 5.850 7.793 21.171 1.00 22.25 C ATOM 1026 SD MET A 63 4.325 8.493 21.844 1.00 44.52 S ATOM 1027 CE MET A 63 4.064 9.949 20.820 1.00 41.50 C ATOM 0 H MET A 63 8.160 8.353 19.790 1.00 53.40 H new ATOM 0 HA MET A 63 7.024 5.817 19.510 1.00 44.34 H new ATOM 0 HB2 MET A 63 5.697 8.546 19.174 1.00 0.23 H new ATOM 0 HB3 MET A 63 4.849 7.036 19.438 1.00 0.23 H new ATOM 0 HG2 MET A 63 6.059 6.843 21.663 1.00 22.25 H new ATOM 0 HG3 MET A 63 6.683 8.459 21.396 1.00 22.25 H new ATOM 0 HE1 MET A 63 3.028 10.276 20.910 1.00 41.50 H new ATOM 0 HE2 MET A 63 4.727 10.749 21.149 1.00 41.50 H new ATOM 0 HE3 MET A 63 4.279 9.705 19.780 1.00 41.50 H new ATOM 1037 N VAL A 64 6.743 7.776 16.821 1.00 74.15 N ATOM 1038 CA VAL A 64 6.394 7.831 15.399 1.00 74.43 C ATOM 1039 C VAL A 64 7.434 7.119 14.534 1.00 41.40 C ATOM 1040 O VAL A 64 7.060 6.515 13.552 1.00 64.02 O ATOM 1041 CB VAL A 64 6.149 9.293 14.893 1.00 44.15 C ATOM 1042 CG1 VAL A 64 5.007 9.964 15.697 1.00 4.15 C ATOM 1043 CG2 VAL A 64 7.443 10.131 14.918 1.00 32.22 C ATOM 0 H VAL A 64 7.010 8.678 17.215 1.00 74.15 H new ATOM 0 HA VAL A 64 5.449 7.298 15.298 1.00 74.43 H new ATOM 0 HB VAL A 64 5.835 9.241 13.851 1.00 44.15 H new ATOM 0 HG11 VAL A 64 4.852 10.979 15.331 1.00 4.15 H new ATOM 0 HG12 VAL A 64 4.089 9.389 15.574 1.00 4.15 H new ATOM 0 HG13 VAL A 64 5.276 9.996 16.753 1.00 4.15 H new ATOM 0 HG21 VAL A 64 7.231 11.138 14.560 1.00 32.22 H new ATOM 0 HG22 VAL A 64 7.824 10.181 15.938 1.00 32.22 H new ATOM 0 HG23 VAL A 64 8.190 9.667 14.274 1.00 32.22 H new ATOM 1053 N ALA A 65 8.727 7.158 14.938 1.00 52.14 N ATOM 1054 CA ALA A 65 9.802 6.402 14.257 1.00 53.03 C ATOM 1055 C ALA A 65 9.549 4.891 14.381 1.00 53.12 C ATOM 1056 O ALA A 65 9.839 4.131 13.459 1.00 61.31 O ATOM 1057 CB ALA A 65 11.179 6.763 14.826 1.00 11.23 C ATOM 0 H ALA A 65 9.050 7.707 15.735 1.00 52.14 H new ATOM 0 HA ALA A 65 9.793 6.676 13.202 1.00 53.03 H new ATOM 0 HB1 ALA A 65 11.948 6.192 14.306 1.00 11.23 H new ATOM 0 HB2 ALA A 65 11.362 7.829 14.687 1.00 11.23 H new ATOM 0 HB3 ALA A 65 11.207 6.525 15.889 1.00 11.23 H new ATOM 1063 N GLY A 66 8.981 4.485 15.538 1.00 13.33 N ATOM 1064 CA GLY A 66 8.522 3.111 15.746 1.00 64.54 C ATOM 1065 C GLY A 66 7.384 2.743 14.806 1.00 35.33 C ATOM 1066 O GLY A 66 7.357 1.643 14.262 1.00 30.24 O ATOM 0 H GLY A 66 8.833 5.099 16.339 1.00 13.33 H new ATOM 0 HA2 GLY A 66 9.354 2.424 15.594 1.00 64.54 H new ATOM 0 HA3 GLY A 66 8.193 2.991 16.778 1.00 64.54 H new ATOM 1070 N TYR A 67 6.472 3.707 14.586 1.00 1.41 N ATOM 1071 CA TYR A 67 5.318 3.540 13.682 1.00 21.02 C ATOM 1072 C TYR A 67 5.757 3.529 12.202 1.00 42.20 C ATOM 1073 O TYR A 67 5.114 2.875 11.370 1.00 44.11 O ATOM 1074 CB TYR A 67 4.270 4.655 13.936 1.00 1.34 C ATOM 1075 CG TYR A 67 3.699 4.675 15.370 1.00 12.44 C ATOM 1076 CD1 TYR A 67 3.491 5.878 16.052 1.00 34.32 C ATOM 1077 CD2 TYR A 67 3.383 3.489 16.043 1.00 22.45 C ATOM 1078 CE1 TYR A 67 2.989 5.896 17.340 1.00 24.32 C ATOM 1079 CE2 TYR A 67 2.879 3.507 17.329 1.00 43.31 C ATOM 1080 CZ TYR A 67 2.688 4.712 17.973 1.00 41.34 C ATOM 1081 OH TYR A 67 2.182 4.728 19.257 1.00 61.35 O ATOM 0 H TYR A 67 6.514 4.624 15.030 1.00 1.41 H new ATOM 0 HA TYR A 67 4.860 2.574 13.895 1.00 21.02 H new ATOM 0 HB2 TYR A 67 4.727 5.622 13.726 1.00 1.34 H new ATOM 0 HB3 TYR A 67 3.447 4.532 13.232 1.00 1.34 H new ATOM 0 HD1 TYR A 67 3.727 6.811 15.563 1.00 34.32 H new ATOM 0 HD2 TYR A 67 3.536 2.542 15.547 1.00 22.45 H new ATOM 0 HE1 TYR A 67 2.834 6.836 17.848 1.00 24.32 H new ATOM 0 HE2 TYR A 67 2.635 2.581 17.829 1.00 43.31 H new ATOM 0 HH TYR A 67 2.022 3.809 19.557 1.00 61.35 H new ATOM 1091 N ILE A 68 6.863 4.253 11.891 1.00 50.23 N ATOM 1092 CA ILE A 68 7.462 4.260 10.541 1.00 2.21 C ATOM 1093 C ILE A 68 8.185 2.924 10.306 1.00 22.24 C ATOM 1094 O ILE A 68 8.152 2.386 9.207 1.00 64.14 O ATOM 1095 CB ILE A 68 8.474 5.451 10.279 1.00 0.42 C ATOM 1096 CG1 ILE A 68 7.851 6.831 10.631 1.00 61.12 C ATOM 1097 CG2 ILE A 68 8.926 5.447 8.792 1.00 35.22 C ATOM 1098 CD1 ILE A 68 8.807 8.015 10.569 1.00 24.45 C ATOM 0 H ILE A 68 7.356 4.840 12.564 1.00 50.23 H new ATOM 0 HA ILE A 68 6.638 4.403 9.843 1.00 2.21 H new ATOM 0 HB ILE A 68 9.335 5.297 10.929 1.00 0.42 H new ATOM 0 HG12 ILE A 68 7.021 7.020 9.950 1.00 61.12 H new ATOM 0 HG13 ILE A 68 7.433 6.776 11.636 1.00 61.12 H new ATOM 0 HG21 ILE A 68 9.621 6.269 8.621 1.00 35.22 H new ATOM 0 HG22 ILE A 68 9.418 4.502 8.564 1.00 35.22 H new ATOM 0 HG23 ILE A 68 8.056 5.568 8.147 1.00 35.22 H new ATOM 0 HD11 ILE A 68 8.273 8.928 10.832 1.00 24.45 H new ATOM 0 HD12 ILE A 68 9.626 7.859 11.271 1.00 24.45 H new ATOM 0 HD13 ILE A 68 9.208 8.107 9.559 1.00 24.45 H new ATOM 1110 N LYS A 69 8.816 2.390 11.362 1.00 0.22 N ATOM 1111 CA LYS A 69 9.479 1.073 11.321 1.00 42.04 C ATOM 1112 C LYS A 69 8.432 -0.008 10.972 1.00 10.41 C ATOM 1113 O LYS A 69 8.675 -0.868 10.112 1.00 5.12 O ATOM 1114 CB LYS A 69 10.181 0.810 12.695 1.00 55.33 C ATOM 1115 CG LYS A 69 11.102 -0.449 12.808 1.00 22.12 C ATOM 1116 CD LYS A 69 10.356 -1.806 12.929 1.00 52.15 C ATOM 1117 CE LYS A 69 9.359 -1.858 14.110 1.00 51.32 C ATOM 1118 NZ LYS A 69 10.019 -1.700 15.428 1.00 60.43 N ATOM 0 H LYS A 69 8.883 2.855 12.267 1.00 0.22 H new ATOM 0 HA LYS A 69 10.249 1.045 10.550 1.00 42.04 H new ATOM 0 HB2 LYS A 69 10.780 1.687 12.940 1.00 55.33 H new ATOM 0 HB3 LYS A 69 9.407 0.729 13.458 1.00 55.33 H new ATOM 0 HG2 LYS A 69 11.749 -0.485 11.932 1.00 22.12 H new ATOM 0 HG3 LYS A 69 11.749 -0.329 13.677 1.00 22.12 H new ATOM 0 HD2 LYS A 69 9.818 -2.000 12.001 1.00 52.15 H new ATOM 0 HD3 LYS A 69 11.088 -2.605 13.046 1.00 52.15 H new ATOM 0 HE2 LYS A 69 8.614 -1.072 13.985 1.00 51.32 H new ATOM 0 HE3 LYS A 69 8.826 -2.808 14.088 1.00 51.32 H new ATOM 0 HZ1 LYS A 69 9.304 -1.743 16.182 1.00 60.43 H new ATOM 0 HZ2 LYS A 69 10.711 -2.464 15.564 1.00 60.43 H new ATOM 0 HZ3 LYS A 69 10.506 -0.782 15.465 1.00 60.43 H new ATOM 1132 N GLN A 70 7.259 0.076 11.638 1.00 5.21 N ATOM 1133 CA GLN A 70 6.148 -0.864 11.432 1.00 32.30 C ATOM 1134 C GLN A 70 5.622 -0.789 9.995 1.00 31.25 C ATOM 1135 O GLN A 70 5.495 -1.827 9.333 1.00 54.34 O ATOM 1136 CB GLN A 70 5.001 -0.609 12.442 1.00 51.14 C ATOM 1137 CG GLN A 70 5.379 -0.846 13.921 1.00 2.50 C ATOM 1138 CD GLN A 70 4.212 -0.683 14.905 1.00 21.15 C ATOM 1139 OE1 GLN A 70 3.006 -1.088 14.506 1.00 12.43 O flip ATOM 1140 NE2 GLN A 70 4.399 -0.229 16.035 1.00 51.32 N flip ATOM 0 H GLN A 70 7.062 0.798 12.331 1.00 5.21 H new ATOM 0 HA GLN A 70 6.534 -1.869 11.604 1.00 32.30 H new ATOM 0 HB2 GLN A 70 4.658 0.419 12.329 1.00 51.14 H new ATOM 0 HB3 GLN A 70 4.161 -1.255 12.188 1.00 51.14 H new ATOM 0 HG2 GLN A 70 5.787 -1.852 14.023 1.00 2.50 H new ATOM 0 HG3 GLN A 70 6.172 -0.151 14.197 1.00 2.50 H new ATOM 0 HE21 GLN A 70 5.332 0.074 16.315 1.00 51.32 H new ATOM 0 HE22 GLN A 70 3.621 -0.156 16.690 1.00 51.32 H new ATOM 1149 N THR A 71 5.357 0.448 9.509 1.00 72.41 N ATOM 1150 CA THR A 71 4.782 0.654 8.174 1.00 52.55 C ATOM 1151 C THR A 71 5.756 0.167 7.078 1.00 34.41 C ATOM 1152 O THR A 71 5.342 -0.568 6.209 1.00 52.41 O ATOM 1153 CB THR A 71 4.304 2.138 7.922 1.00 34.40 C ATOM 1154 OG1 THR A 71 3.508 2.200 6.737 1.00 31.11 O ATOM 1155 CG2 THR A 71 5.439 3.156 7.782 1.00 62.32 C ATOM 0 H THR A 71 5.534 1.309 10.026 1.00 72.41 H new ATOM 0 HA THR A 71 3.879 0.046 8.123 1.00 52.55 H new ATOM 0 HB THR A 71 3.735 2.408 8.812 1.00 34.40 H new ATOM 0 HG1 THR A 71 3.348 3.137 6.499 1.00 31.11 H new ATOM 0 HG21 THR A 71 5.019 4.147 7.611 1.00 62.32 H new ATOM 0 HG22 THR A 71 6.034 3.166 8.695 1.00 62.32 H new ATOM 0 HG23 THR A 71 6.073 2.880 6.939 1.00 62.32 H new ATOM 1163 N LEU A 72 7.067 0.502 7.210 1.00 0.11 N ATOM 1164 CA LEU A 72 8.125 0.098 6.247 1.00 33.33 C ATOM 1165 C LEU A 72 8.237 -1.428 6.120 1.00 53.22 C ATOM 1166 O LEU A 72 8.365 -1.956 5.014 1.00 41.14 O ATOM 1167 CB LEU A 72 9.511 0.669 6.673 1.00 15.24 C ATOM 1168 CG LEU A 72 9.706 2.205 6.526 1.00 54.42 C ATOM 1169 CD1 LEU A 72 11.057 2.657 7.128 1.00 62.11 C ATOM 1170 CD2 LEU A 72 9.568 2.630 5.050 1.00 41.14 C ATOM 0 H LEU A 72 7.419 1.060 7.988 1.00 0.11 H new ATOM 0 HA LEU A 72 7.836 0.508 5.280 1.00 33.33 H new ATOM 0 HB2 LEU A 72 9.684 0.402 7.716 1.00 15.24 H new ATOM 0 HB3 LEU A 72 10.281 0.170 6.084 1.00 15.24 H new ATOM 0 HG LEU A 72 8.920 2.706 7.091 1.00 54.42 H new ATOM 0 HD11 LEU A 72 11.165 3.735 7.010 1.00 62.11 H new ATOM 0 HD12 LEU A 72 11.086 2.403 8.188 1.00 62.11 H new ATOM 0 HD13 LEU A 72 11.873 2.152 6.611 1.00 62.11 H new ATOM 0 HD21 LEU A 72 9.708 3.708 4.967 1.00 41.14 H new ATOM 0 HD22 LEU A 72 10.323 2.119 4.452 1.00 41.14 H new ATOM 0 HD23 LEU A 72 8.576 2.364 4.686 1.00 41.14 H new ATOM 1182 N ASP A 73 8.208 -2.105 7.281 1.00 75.00 N ATOM 1183 CA ASP A 73 8.339 -3.570 7.389 1.00 43.32 C ATOM 1184 C ASP A 73 7.176 -4.275 6.663 1.00 62.35 C ATOM 1185 O ASP A 73 7.390 -5.096 5.756 1.00 41.44 O ATOM 1186 CB ASP A 73 8.371 -3.969 8.893 1.00 62.41 C ATOM 1187 CG ASP A 73 8.369 -5.493 9.125 1.00 23.04 C ATOM 1188 OD1 ASP A 73 7.286 -6.074 9.352 1.00 33.13 O ATOM 1189 OD2 ASP A 73 9.452 -6.117 9.087 1.00 54.44 O ATOM 0 H ASP A 73 8.091 -1.644 8.184 1.00 75.00 H new ATOM 0 HA ASP A 73 9.267 -3.886 6.913 1.00 43.32 H new ATOM 0 HB2 ASP A 73 9.260 -3.540 9.356 1.00 62.41 H new ATOM 0 HB3 ASP A 73 7.508 -3.532 9.395 1.00 62.41 H new ATOM 1194 N ASN A 74 5.945 -3.901 7.053 1.00 12.43 N ATOM 1195 CA ASN A 74 4.712 -4.522 6.547 1.00 25.43 C ATOM 1196 C ASN A 74 4.502 -4.199 5.051 1.00 54.14 C ATOM 1197 O ASN A 74 4.085 -5.063 4.283 1.00 23.13 O ATOM 1198 CB ASN A 74 3.493 -4.059 7.391 1.00 14.32 C ATOM 1199 CG ASN A 74 3.623 -4.324 8.914 1.00 30.31 C ATOM 1200 OD1 ASN A 74 3.050 -3.608 9.729 1.00 62.32 O ATOM 1201 ND2 ASN A 74 4.377 -5.335 9.327 1.00 62.55 N ATOM 0 H ASN A 74 5.778 -3.157 7.730 1.00 12.43 H new ATOM 0 HA ASN A 74 4.808 -5.604 6.641 1.00 25.43 H new ATOM 0 HB2 ASN A 74 3.343 -2.991 7.233 1.00 14.32 H new ATOM 0 HB3 ASN A 74 2.600 -4.564 7.023 1.00 14.32 H new ATOM 0 HD21 ASN A 74 4.482 -5.519 10.325 1.00 62.55 H new ATOM 0 HD22 ASN A 74 4.852 -5.928 8.647 1.00 62.55 H new ATOM 1208 N GLU A 75 4.850 -2.959 4.662 1.00 74.44 N ATOM 1209 CA GLU A 75 4.703 -2.431 3.283 1.00 20.23 C ATOM 1210 C GLU A 75 5.759 -3.027 2.333 1.00 0.35 C ATOM 1211 O GLU A 75 5.524 -3.144 1.126 1.00 2.42 O ATOM 1212 CB GLU A 75 4.771 -0.889 3.351 1.00 32.33 C ATOM 1213 CG GLU A 75 4.543 -0.116 2.048 1.00 41.01 C ATOM 1214 CD GLU A 75 4.330 1.394 2.298 1.00 65.23 C ATOM 1215 OE1 GLU A 75 3.182 1.878 2.160 1.00 73.00 O ATOM 1216 OE2 GLU A 75 5.287 2.088 2.681 1.00 2.43 O ATOM 0 H GLU A 75 5.250 -2.278 5.307 1.00 74.44 H new ATOM 0 HA GLU A 75 3.740 -2.728 2.868 1.00 20.23 H new ATOM 0 HB2 GLU A 75 4.032 -0.551 4.077 1.00 32.33 H new ATOM 0 HB3 GLU A 75 5.751 -0.612 3.740 1.00 32.33 H new ATOM 0 HG2 GLU A 75 5.400 -0.257 1.389 1.00 41.01 H new ATOM 0 HG3 GLU A 75 3.674 -0.524 1.532 1.00 41.01 H new ATOM 1223 N GLN A 76 6.912 -3.416 2.905 1.00 54.10 N ATOM 1224 CA GLN A 76 7.955 -4.202 2.205 1.00 11.13 C ATOM 1225 C GLN A 76 7.417 -5.599 1.857 1.00 74.52 C ATOM 1226 O GLN A 76 7.637 -6.121 0.754 1.00 65.31 O ATOM 1227 CB GLN A 76 9.195 -4.334 3.120 1.00 22.20 C ATOM 1228 CG GLN A 76 10.316 -5.269 2.612 1.00 62.30 C ATOM 1229 CD GLN A 76 11.413 -5.551 3.647 1.00 12.12 C ATOM 1230 OE1 GLN A 76 11.057 -5.604 4.933 1.00 2.11 O flip ATOM 1231 NE2 GLN A 76 12.570 -5.759 3.291 1.00 75.11 N flip ATOM 0 H GLN A 76 7.152 -3.195 3.871 1.00 54.10 H new ATOM 0 HA GLN A 76 8.233 -3.691 1.283 1.00 11.13 H new ATOM 0 HB2 GLN A 76 9.618 -3.341 3.271 1.00 22.20 H new ATOM 0 HB3 GLN A 76 8.865 -4.691 4.096 1.00 22.20 H new ATOM 0 HG2 GLN A 76 9.873 -6.215 2.301 1.00 62.30 H new ATOM 0 HG3 GLN A 76 10.772 -4.825 1.727 1.00 62.30 H new ATOM 0 HE21 GLN A 76 12.816 -5.712 2.302 1.00 75.11 H new ATOM 0 HE22 GLN A 76 13.285 -5.978 3.984 1.00 75.11 H new ATOM 1240 N LEU A 77 6.719 -6.201 2.833 1.00 44.13 N ATOM 1241 CA LEU A 77 6.101 -7.525 2.673 1.00 24.13 C ATOM 1242 C LEU A 77 4.909 -7.464 1.698 1.00 22.44 C ATOM 1243 O LEU A 77 4.647 -8.434 0.996 1.00 70.01 O ATOM 1244 CB LEU A 77 5.677 -8.075 4.052 1.00 21.22 C ATOM 1245 CG LEU A 77 6.822 -8.231 5.102 1.00 14.22 C ATOM 1246 CD1 LEU A 77 6.268 -8.680 6.467 1.00 42.32 C ATOM 1247 CD2 LEU A 77 7.925 -9.187 4.594 1.00 53.44 C ATOM 0 H LEU A 77 6.568 -5.785 3.752 1.00 44.13 H new ATOM 0 HA LEU A 77 6.834 -8.207 2.242 1.00 24.13 H new ATOM 0 HB2 LEU A 77 4.916 -7.414 4.467 1.00 21.22 H new ATOM 0 HB3 LEU A 77 5.209 -9.048 3.906 1.00 21.22 H new ATOM 0 HG LEU A 77 7.280 -7.252 5.241 1.00 14.22 H new ATOM 0 HD11 LEU A 77 7.088 -8.780 7.178 1.00 42.32 H new ATOM 0 HD12 LEU A 77 5.559 -7.938 6.834 1.00 42.32 H new ATOM 0 HD13 LEU A 77 5.764 -9.640 6.357 1.00 42.32 H new ATOM 0 HD21 LEU A 77 8.707 -9.274 5.348 1.00 53.44 H new ATOM 0 HD22 LEU A 77 7.495 -10.170 4.403 1.00 53.44 H new ATOM 0 HD23 LEU A 77 8.352 -8.792 3.672 1.00 53.44 H new ATOM 1259 N LEU A 78 4.208 -6.305 1.658 1.00 2.50 N ATOM 1260 CA LEU A 78 3.144 -6.030 0.664 1.00 72.24 C ATOM 1261 C LEU A 78 3.743 -5.942 -0.735 1.00 2.13 C ATOM 1262 O LEU A 78 3.167 -6.444 -1.687 1.00 14.11 O ATOM 1263 CB LEU A 78 2.415 -4.696 0.961 1.00 2.13 C ATOM 1264 CG LEU A 78 1.637 -4.608 2.298 1.00 73.43 C ATOM 1265 CD1 LEU A 78 1.142 -3.166 2.530 1.00 45.45 C ATOM 1266 CD2 LEU A 78 0.483 -5.638 2.346 1.00 44.53 C ATOM 0 H LEU A 78 4.364 -5.538 2.312 1.00 2.50 H new ATOM 0 HA LEU A 78 2.428 -6.850 0.726 1.00 72.24 H new ATOM 0 HB2 LEU A 78 3.153 -3.894 0.944 1.00 2.13 H new ATOM 0 HB3 LEU A 78 1.716 -4.503 0.148 1.00 2.13 H new ATOM 0 HG LEU A 78 2.313 -4.863 3.114 1.00 73.43 H new ATOM 0 HD11 LEU A 78 0.597 -3.116 3.472 1.00 45.45 H new ATOM 0 HD12 LEU A 78 1.996 -2.490 2.569 1.00 45.45 H new ATOM 0 HD13 LEU A 78 0.483 -2.872 1.713 1.00 45.45 H new ATOM 0 HD21 LEU A 78 -0.043 -5.551 3.297 1.00 44.53 H new ATOM 0 HD22 LEU A 78 -0.211 -5.445 1.528 1.00 44.53 H new ATOM 0 HD23 LEU A 78 0.889 -6.645 2.247 1.00 44.53 H new ATOM 1278 N LYS A 79 4.902 -5.270 -0.831 1.00 2.44 N ATOM 1279 CA LYS A 79 5.637 -5.102 -2.089 1.00 44.40 C ATOM 1280 C LYS A 79 5.922 -6.476 -2.723 1.00 2.11 C ATOM 1281 O LYS A 79 5.549 -6.702 -3.865 1.00 2.34 O ATOM 1282 CB LYS A 79 6.954 -4.322 -1.838 1.00 52.11 C ATOM 1283 CG LYS A 79 7.864 -4.162 -3.076 1.00 14.13 C ATOM 1284 CD LYS A 79 9.210 -3.487 -2.734 1.00 14.14 C ATOM 1285 CE LYS A 79 10.172 -3.449 -3.931 1.00 75.44 C ATOM 1286 NZ LYS A 79 9.625 -2.667 -5.071 1.00 72.02 N ATOM 0 H LYS A 79 5.355 -4.827 -0.032 1.00 2.44 H new ATOM 0 HA LYS A 79 5.027 -4.525 -2.784 1.00 44.40 H new ATOM 0 HB2 LYS A 79 6.705 -3.331 -1.458 1.00 52.11 H new ATOM 0 HB3 LYS A 79 7.517 -4.831 -1.055 1.00 52.11 H new ATOM 0 HG2 LYS A 79 8.053 -5.142 -3.514 1.00 14.13 H new ATOM 0 HG3 LYS A 79 7.345 -3.571 -3.831 1.00 14.13 H new ATOM 0 HD2 LYS A 79 9.025 -2.470 -2.389 1.00 14.14 H new ATOM 0 HD3 LYS A 79 9.682 -4.022 -1.910 1.00 14.14 H new ATOM 0 HE2 LYS A 79 11.121 -3.014 -3.618 1.00 75.44 H new ATOM 0 HE3 LYS A 79 10.381 -4.467 -4.259 1.00 75.44 H new ATOM 0 HZ1 LYS A 79 10.330 -2.627 -5.835 1.00 72.02 H new ATOM 0 HZ2 LYS A 79 8.759 -3.124 -5.422 1.00 72.02 H new ATOM 0 HZ3 LYS A 79 9.403 -1.702 -4.755 1.00 72.02 H new ATOM 1300 N GLY A 80 6.517 -7.395 -1.932 1.00 70.13 N ATOM 1301 CA GLY A 80 6.862 -8.744 -2.409 1.00 60.44 C ATOM 1302 C GLY A 80 5.640 -9.626 -2.704 1.00 51.40 C ATOM 1303 O GLY A 80 5.567 -10.264 -3.769 1.00 44.30 O ATOM 0 H GLY A 80 6.767 -7.223 -0.958 1.00 70.13 H new ATOM 0 HA2 GLY A 80 7.463 -8.657 -3.314 1.00 60.44 H new ATOM 0 HA3 GLY A 80 7.482 -9.237 -1.660 1.00 60.44 H new ATOM 1307 N LEU A 81 4.678 -9.628 -1.762 1.00 21.35 N ATOM 1308 CA LEU A 81 3.450 -10.459 -1.826 1.00 22.32 C ATOM 1309 C LEU A 81 2.609 -10.063 -3.053 1.00 64.44 C ATOM 1310 O LEU A 81 2.322 -10.901 -3.924 1.00 31.15 O ATOM 1311 CB LEU A 81 2.668 -10.299 -0.474 1.00 65.44 C ATOM 1312 CG LEU A 81 1.465 -11.270 -0.152 1.00 21.24 C ATOM 1313 CD1 LEU A 81 1.145 -11.249 1.363 1.00 23.41 C ATOM 1314 CD2 LEU A 81 0.178 -10.929 -0.952 1.00 2.14 C ATOM 0 H LEU A 81 4.727 -9.048 -0.924 1.00 21.35 H new ATOM 0 HA LEU A 81 3.699 -11.513 -1.949 1.00 22.32 H new ATOM 0 HB2 LEU A 81 3.392 -10.396 0.335 1.00 65.44 H new ATOM 0 HB3 LEU A 81 2.284 -9.280 -0.438 1.00 65.44 H new ATOM 0 HG LEU A 81 1.786 -12.266 -0.457 1.00 21.24 H new ATOM 0 HD11 LEU A 81 0.314 -11.923 1.569 1.00 23.41 H new ATOM 0 HD12 LEU A 81 2.022 -11.572 1.925 1.00 23.41 H new ATOM 0 HD13 LEU A 81 0.874 -10.237 1.664 1.00 23.41 H new ATOM 0 HD21 LEU A 81 -0.612 -11.632 -0.687 1.00 2.14 H new ATOM 0 HD22 LEU A 81 -0.142 -9.915 -0.711 1.00 2.14 H new ATOM 0 HD23 LEU A 81 0.384 -11.001 -2.020 1.00 2.14 H new ATOM 1326 N LEU A 82 2.256 -8.765 -3.127 1.00 33.33 N ATOM 1327 CA LEU A 82 1.438 -8.212 -4.217 1.00 24.51 C ATOM 1328 C LEU A 82 2.209 -8.202 -5.552 1.00 21.44 C ATOM 1329 O LEU A 82 1.584 -8.170 -6.591 1.00 4.41 O ATOM 1330 CB LEU A 82 0.920 -6.782 -3.866 1.00 54.33 C ATOM 1331 CG LEU A 82 0.111 -6.642 -2.530 1.00 21.01 C ATOM 1332 CD1 LEU A 82 -0.329 -5.178 -2.289 1.00 73.34 C ATOM 1333 CD2 LEU A 82 -1.091 -7.609 -2.489 1.00 23.11 C ATOM 0 H LEU A 82 2.532 -8.072 -2.431 1.00 33.33 H new ATOM 0 HA LEU A 82 0.573 -8.865 -4.336 1.00 24.51 H new ATOM 0 HB2 LEU A 82 1.777 -6.110 -3.818 1.00 54.33 H new ATOM 0 HB3 LEU A 82 0.289 -6.436 -4.685 1.00 54.33 H new ATOM 0 HG LEU A 82 0.778 -6.922 -1.714 1.00 21.01 H new ATOM 0 HD11 LEU A 82 -0.887 -5.115 -1.355 1.00 73.34 H new ATOM 0 HD12 LEU A 82 0.552 -4.539 -2.229 1.00 73.34 H new ATOM 0 HD13 LEU A 82 -0.962 -4.848 -3.113 1.00 73.34 H new ATOM 0 HD21 LEU A 82 -1.627 -7.483 -1.548 1.00 23.11 H new ATOM 0 HD22 LEU A 82 -1.761 -7.392 -3.321 1.00 23.11 H new ATOM 0 HD23 LEU A 82 -0.735 -8.636 -2.569 1.00 23.11 H new ATOM 1345 N GLN A 83 3.567 -8.221 -5.513 1.00 44.52 N ATOM 1346 CA GLN A 83 4.407 -8.353 -6.739 1.00 14.41 C ATOM 1347 C GLN A 83 4.121 -9.682 -7.433 1.00 64.21 C ATOM 1348 O GLN A 83 3.934 -9.731 -8.654 1.00 61.34 O ATOM 1349 CB GLN A 83 5.913 -8.260 -6.385 1.00 51.54 C ATOM 1350 CG GLN A 83 6.899 -8.379 -7.566 1.00 34.30 C ATOM 1351 CD GLN A 83 8.375 -8.380 -7.136 1.00 30.13 C ATOM 1352 OE1 GLN A 83 8.681 -8.952 -5.972 1.00 44.02 O flip ATOM 1353 NE2 GLN A 83 9.244 -7.893 -7.861 1.00 24.33 N flip ATOM 0 H GLN A 83 4.105 -8.147 -4.650 1.00 44.52 H new ATOM 0 HA GLN A 83 4.156 -7.535 -7.414 1.00 14.41 H new ATOM 0 HB2 GLN A 83 6.089 -7.307 -5.886 1.00 51.54 H new ATOM 0 HB3 GLN A 83 6.145 -9.045 -5.665 1.00 51.54 H new ATOM 0 HG2 GLN A 83 6.688 -9.297 -8.114 1.00 34.30 H new ATOM 0 HG3 GLN A 83 6.730 -7.551 -8.255 1.00 34.30 H new ATOM 0 HE21 GLN A 83 8.985 -7.461 -8.748 1.00 24.33 H new ATOM 0 HE22 GLN A 83 10.223 -7.922 -7.575 1.00 24.33 H new ATOM 1362 N GLN A 84 4.084 -10.753 -6.614 1.00 23.13 N ATOM 1363 CA GLN A 84 3.732 -12.106 -7.068 1.00 22.42 C ATOM 1364 C GLN A 84 2.313 -12.121 -7.662 1.00 71.14 C ATOM 1365 O GLN A 84 2.103 -12.591 -8.785 1.00 14.31 O ATOM 1366 CB GLN A 84 3.814 -13.104 -5.892 1.00 52.34 C ATOM 1367 CG GLN A 84 5.200 -13.227 -5.234 1.00 32.11 C ATOM 1368 CD GLN A 84 5.258 -14.272 -4.112 1.00 52.22 C ATOM 1369 OE1 GLN A 84 4.500 -15.361 -4.243 1.00 42.41 O flip ATOM 1370 NE2 GLN A 84 6.005 -14.119 -3.146 1.00 12.34 N flip ATOM 0 H GLN A 84 4.298 -10.700 -5.618 1.00 23.13 H new ATOM 0 HA GLN A 84 4.442 -12.404 -7.839 1.00 22.42 H new ATOM 0 HB2 GLN A 84 3.093 -12.805 -5.131 1.00 52.34 H new ATOM 0 HB3 GLN A 84 3.510 -14.088 -6.249 1.00 52.34 H new ATOM 0 HG2 GLN A 84 5.934 -13.485 -5.998 1.00 32.11 H new ATOM 0 HG3 GLN A 84 5.488 -12.257 -4.830 1.00 32.11 H new ATOM 0 HE21 GLN A 84 6.574 -13.276 -3.070 1.00 12.34 H new ATOM 0 HE22 GLN A 84 6.055 -14.835 -2.421 1.00 12.34 H new ATOM 1379 N ARG A 85 1.363 -11.558 -6.885 1.00 31.41 N ATOM 1380 CA ARG A 85 -0.069 -11.530 -7.228 1.00 1.32 C ATOM 1381 C ARG A 85 -0.310 -10.803 -8.567 1.00 25.44 C ATOM 1382 O ARG A 85 -0.969 -11.338 -9.450 1.00 63.13 O ATOM 1383 CB ARG A 85 -0.873 -10.857 -6.089 1.00 24.43 C ATOM 1384 CG ARG A 85 -0.736 -11.521 -4.696 1.00 32.13 C ATOM 1385 CD ARG A 85 -1.479 -12.867 -4.534 1.00 43.11 C ATOM 1386 NE ARG A 85 -0.841 -14.028 -5.204 1.00 3.34 N ATOM 1387 CZ ARG A 85 -0.872 -15.298 -4.736 1.00 53.31 C ATOM 1388 NH1 ARG A 85 -1.489 -15.596 -3.593 1.00 25.45 N ATOM 1389 NH2 ARG A 85 -0.306 -16.282 -5.430 1.00 3.23 N ATOM 0 H ARG A 85 1.574 -11.107 -5.995 1.00 31.41 H new ATOM 0 HA ARG A 85 -0.413 -12.558 -7.345 1.00 1.32 H new ATOM 0 HB2 ARG A 85 -0.557 -9.817 -6.010 1.00 24.43 H new ATOM 0 HB3 ARG A 85 -1.927 -10.849 -6.367 1.00 24.43 H new ATOM 0 HG2 ARG A 85 0.322 -11.681 -4.490 1.00 32.13 H new ATOM 0 HG3 ARG A 85 -1.106 -10.827 -3.942 1.00 32.13 H new ATOM 0 HD2 ARG A 85 -1.570 -13.087 -3.470 1.00 43.11 H new ATOM 0 HD3 ARG A 85 -2.491 -12.754 -4.924 1.00 43.11 H new ATOM 0 HE ARG A 85 -0.344 -13.857 -6.078 1.00 3.34 H new ATOM 0 HH11 ARG A 85 -1.948 -14.861 -3.055 1.00 25.45 H new ATOM 0 HH12 ARG A 85 -1.502 -16.559 -3.256 1.00 25.45 H new ATOM 0 HH21 ARG A 85 0.154 -16.081 -6.318 1.00 3.23 H new ATOM 0 HH22 ARG A 85 -0.332 -17.237 -5.074 1.00 3.23 H new ATOM 1403 N LEU A 86 0.281 -9.598 -8.701 1.00 22.14 N ATOM 1404 CA LEU A 86 0.132 -8.733 -9.895 1.00 33.42 C ATOM 1405 C LEU A 86 0.811 -9.333 -11.132 1.00 33.02 C ATOM 1406 O LEU A 86 0.358 -9.094 -12.243 1.00 75.11 O ATOM 1407 CB LEU A 86 0.704 -7.312 -9.630 1.00 34.41 C ATOM 1408 CG LEU A 86 -0.072 -6.445 -8.592 1.00 65.03 C ATOM 1409 CD1 LEU A 86 0.629 -5.092 -8.361 1.00 31.41 C ATOM 1410 CD2 LEU A 86 -1.540 -6.250 -9.015 1.00 23.02 C ATOM 0 H LEU A 86 0.879 -9.193 -7.981 1.00 22.14 H new ATOM 0 HA LEU A 86 -0.937 -8.662 -10.094 1.00 33.42 H new ATOM 0 HB2 LEU A 86 1.735 -7.414 -9.290 1.00 34.41 H new ATOM 0 HB3 LEU A 86 0.733 -6.771 -10.576 1.00 34.41 H new ATOM 0 HG LEU A 86 -0.071 -6.983 -7.644 1.00 65.03 H new ATOM 0 HD11 LEU A 86 0.065 -4.510 -7.633 1.00 31.41 H new ATOM 0 HD12 LEU A 86 1.638 -5.264 -7.985 1.00 31.41 H new ATOM 0 HD13 LEU A 86 0.681 -4.544 -9.302 1.00 31.41 H new ATOM 0 HD21 LEU A 86 -2.055 -5.642 -8.272 1.00 23.02 H new ATOM 0 HD22 LEU A 86 -1.576 -5.749 -9.982 1.00 23.02 H new ATOM 0 HD23 LEU A 86 -2.029 -7.221 -9.091 1.00 23.02 H new ATOM 1422 N ASP A 87 1.908 -10.085 -10.923 1.00 22.41 N ATOM 1423 CA ASP A 87 2.618 -10.797 -12.006 1.00 45.13 C ATOM 1424 C ASP A 87 1.671 -11.834 -12.653 1.00 22.43 C ATOM 1425 O ASP A 87 1.516 -11.888 -13.888 1.00 62.54 O ATOM 1426 CB ASP A 87 3.897 -11.487 -11.444 1.00 52.35 C ATOM 1427 CG ASP A 87 4.631 -12.343 -12.494 1.00 71.54 C ATOM 1428 OD1 ASP A 87 5.475 -11.793 -13.243 1.00 30.14 O ATOM 1429 OD2 ASP A 87 4.377 -13.568 -12.583 1.00 14.52 O ATOM 0 H ASP A 87 2.327 -10.217 -10.002 1.00 22.41 H new ATOM 0 HA ASP A 87 2.926 -10.083 -12.770 1.00 45.13 H new ATOM 0 HB2 ASP A 87 4.578 -10.725 -11.065 1.00 52.35 H new ATOM 0 HB3 ASP A 87 3.621 -12.117 -10.598 1.00 52.35 H new ATOM 1434 N GLU A 88 1.013 -12.620 -11.776 1.00 73.52 N ATOM 1435 CA GLU A 88 0.016 -13.635 -12.164 1.00 61.11 C ATOM 1436 C GLU A 88 -1.162 -12.971 -12.895 1.00 10.24 C ATOM 1437 O GLU A 88 -1.410 -13.285 -14.061 1.00 64.43 O ATOM 1438 CB GLU A 88 -0.471 -14.393 -10.903 1.00 51.24 C ATOM 1439 CG GLU A 88 0.648 -15.173 -10.185 1.00 12.43 C ATOM 1440 CD GLU A 88 0.233 -15.645 -8.791 1.00 64.12 C ATOM 1441 OE1 GLU A 88 -0.266 -16.783 -8.636 1.00 53.41 O ATOM 1442 OE2 GLU A 88 0.389 -14.869 -7.832 1.00 54.44 O ATOM 0 H GLU A 88 1.162 -12.566 -10.768 1.00 73.52 H new ATOM 0 HA GLU A 88 0.475 -14.351 -12.846 1.00 61.11 H new ATOM 0 HB2 GLU A 88 -0.910 -13.679 -10.206 1.00 51.24 H new ATOM 0 HB3 GLU A 88 -1.261 -15.087 -11.188 1.00 51.24 H new ATOM 0 HG2 GLU A 88 0.929 -16.036 -10.788 1.00 12.43 H new ATOM 0 HG3 GLU A 88 1.532 -14.540 -10.102 1.00 12.43 H new ATOM 1449 N LEU A 89 -1.816 -11.995 -12.211 1.00 31.24 N ATOM 1450 CA LEU A 89 -3.014 -11.288 -12.718 1.00 62.45 C ATOM 1451 C LEU A 89 -2.742 -10.621 -14.081 1.00 51.03 C ATOM 1452 O LEU A 89 -3.566 -10.720 -14.983 1.00 1.25 O ATOM 1453 CB LEU A 89 -3.522 -10.229 -11.686 1.00 54.11 C ATOM 1454 CG LEU A 89 -3.973 -10.779 -10.292 1.00 45.53 C ATOM 1455 CD1 LEU A 89 -4.459 -9.641 -9.364 1.00 55.33 C ATOM 1456 CD2 LEU A 89 -5.047 -11.876 -10.433 1.00 74.51 C ATOM 0 H LEU A 89 -1.522 -11.678 -11.287 1.00 31.24 H new ATOM 0 HA LEU A 89 -3.795 -12.036 -12.858 1.00 62.45 H new ATOM 0 HB2 LEU A 89 -2.728 -9.500 -11.525 1.00 54.11 H new ATOM 0 HB3 LEU A 89 -4.361 -9.694 -12.130 1.00 54.11 H new ATOM 0 HG LEU A 89 -3.097 -11.234 -9.829 1.00 45.53 H new ATOM 0 HD11 LEU A 89 -4.764 -10.059 -8.405 1.00 55.33 H new ATOM 0 HD12 LEU A 89 -3.649 -8.928 -9.208 1.00 55.33 H new ATOM 0 HD13 LEU A 89 -5.306 -9.133 -9.825 1.00 55.33 H new ATOM 0 HD21 LEU A 89 -5.335 -12.233 -9.444 1.00 74.51 H new ATOM 0 HD22 LEU A 89 -5.921 -11.466 -10.939 1.00 74.51 H new ATOM 0 HD23 LEU A 89 -4.646 -12.705 -11.015 1.00 74.51 H new ATOM 1468 N SER A 90 -1.552 -10.001 -14.221 1.00 34.34 N ATOM 1469 CA SER A 90 -1.126 -9.316 -15.461 1.00 34.11 C ATOM 1470 C SER A 90 -1.074 -10.296 -16.639 1.00 61.04 C ATOM 1471 O SER A 90 -1.583 -9.998 -17.726 1.00 53.42 O ATOM 1472 CB SER A 90 0.263 -8.672 -15.274 1.00 2.02 C ATOM 1473 OG SER A 90 0.662 -7.934 -16.418 1.00 14.24 O ATOM 0 H SER A 90 -0.857 -9.961 -13.476 1.00 34.34 H new ATOM 0 HA SER A 90 -1.859 -8.539 -15.678 1.00 34.11 H new ATOM 0 HB2 SER A 90 0.244 -8.014 -14.406 1.00 2.02 H new ATOM 0 HB3 SER A 90 0.999 -9.449 -15.069 1.00 2.02 H new ATOM 0 HG SER A 90 1.545 -7.540 -16.261 1.00 14.24 H new ATOM 1479 N SER A 91 -0.453 -11.470 -16.398 1.00 63.30 N ATOM 1480 CA SER A 91 -0.326 -12.524 -17.411 1.00 73.13 C ATOM 1481 C SER A 91 -1.710 -13.096 -17.794 1.00 74.32 C ATOM 1482 O SER A 91 -1.978 -13.332 -18.975 1.00 2.03 O ATOM 1483 CB SER A 91 0.604 -13.640 -16.899 1.00 34.12 C ATOM 1484 OG SER A 91 0.844 -14.610 -17.911 1.00 55.32 O ATOM 0 H SER A 91 -0.030 -11.707 -15.500 1.00 63.30 H new ATOM 0 HA SER A 91 0.112 -12.088 -18.309 1.00 73.13 H new ATOM 0 HB2 SER A 91 1.550 -13.208 -16.573 1.00 34.12 H new ATOM 0 HB3 SER A 91 0.156 -14.120 -16.029 1.00 34.12 H new ATOM 0 HG SER A 91 1.438 -15.307 -17.562 1.00 55.32 H new ATOM 1490 N LEU A 92 -2.592 -13.268 -16.781 1.00 22.03 N ATOM 1491 CA LEU A 92 -3.945 -13.845 -16.962 1.00 31.05 C ATOM 1492 C LEU A 92 -4.821 -12.941 -17.847 1.00 34.20 C ATOM 1493 O LEU A 92 -5.446 -13.423 -18.797 1.00 44.12 O ATOM 1494 CB LEU A 92 -4.621 -14.095 -15.581 1.00 4.15 C ATOM 1495 CG LEU A 92 -3.890 -15.115 -14.644 1.00 33.10 C ATOM 1496 CD1 LEU A 92 -4.579 -15.218 -13.264 1.00 4.44 C ATOM 1497 CD2 LEU A 92 -3.753 -16.498 -15.317 1.00 65.13 C ATOM 0 H LEU A 92 -2.385 -13.011 -15.816 1.00 22.03 H new ATOM 0 HA LEU A 92 -3.839 -14.803 -17.471 1.00 31.05 H new ATOM 0 HB2 LEU A 92 -4.701 -13.142 -15.058 1.00 4.15 H new ATOM 0 HB3 LEU A 92 -5.637 -14.451 -15.753 1.00 4.15 H new ATOM 0 HG LEU A 92 -2.883 -14.735 -14.471 1.00 33.10 H new ATOM 0 HD11 LEU A 92 -4.043 -15.935 -12.642 1.00 4.44 H new ATOM 0 HD12 LEU A 92 -4.572 -14.241 -12.780 1.00 4.44 H new ATOM 0 HD13 LEU A 92 -5.609 -15.550 -13.395 1.00 4.44 H new ATOM 0 HD21 LEU A 92 -3.241 -17.183 -14.641 1.00 65.13 H new ATOM 0 HD22 LEU A 92 -4.743 -16.889 -15.549 1.00 65.13 H new ATOM 0 HD23 LEU A 92 -3.177 -16.399 -16.237 1.00 65.13 H new ATOM 1509 N ILE A 93 -4.821 -11.627 -17.532 1.00 33.22 N ATOM 1510 CA ILE A 93 -5.519 -10.586 -18.319 1.00 12.15 C ATOM 1511 C ILE A 93 -4.918 -10.516 -19.733 1.00 62.24 C ATOM 1512 O ILE A 93 -5.645 -10.417 -20.715 1.00 52.32 O ATOM 1513 CB ILE A 93 -5.403 -9.168 -17.633 1.00 0.30 C ATOM 1514 CG1 ILE A 93 -5.976 -9.191 -16.181 1.00 3.22 C ATOM 1515 CG2 ILE A 93 -6.103 -8.061 -18.474 1.00 31.02 C ATOM 1516 CD1 ILE A 93 -5.660 -7.945 -15.376 1.00 33.34 C ATOM 0 H ILE A 93 -4.332 -11.256 -16.717 1.00 33.22 H new ATOM 0 HA ILE A 93 -6.574 -10.856 -18.372 1.00 12.15 H new ATOM 0 HB ILE A 93 -4.341 -8.928 -17.580 1.00 0.30 H new ATOM 0 HG12 ILE A 93 -7.058 -9.316 -16.230 1.00 3.22 H new ATOM 0 HG13 ILE A 93 -5.578 -10.060 -15.658 1.00 3.22 H new ATOM 0 HG21 ILE A 93 -6.001 -7.101 -17.968 1.00 31.02 H new ATOM 0 HG22 ILE A 93 -5.639 -8.004 -19.459 1.00 31.02 H new ATOM 0 HG23 ILE A 93 -7.160 -8.302 -18.585 1.00 31.02 H new ATOM 0 HD11 ILE A 93 -6.092 -8.037 -14.379 1.00 33.34 H new ATOM 0 HD12 ILE A 93 -4.579 -7.829 -15.294 1.00 33.34 H new ATOM 0 HD13 ILE A 93 -6.082 -7.073 -15.875 1.00 33.34 H new ATOM 1528 N GLY A 94 -3.576 -10.615 -19.803 1.00 54.32 N ATOM 1529 CA GLY A 94 -2.844 -10.563 -21.069 1.00 63.41 C ATOM 1530 C GLY A 94 -3.234 -11.675 -22.048 1.00 11.44 C ATOM 1531 O GLY A 94 -3.154 -11.486 -23.262 1.00 42.14 O ATOM 0 H GLY A 94 -2.978 -10.732 -18.985 1.00 54.32 H new ATOM 0 HA2 GLY A 94 -3.019 -9.596 -21.541 1.00 63.41 H new ATOM 0 HA3 GLY A 94 -1.775 -10.629 -20.864 1.00 63.41 H new ATOM 1535 N GLN A 95 -3.665 -12.834 -21.502 1.00 53.35 N ATOM 1536 CA GLN A 95 -4.108 -13.995 -22.302 1.00 13.22 C ATOM 1537 C GLN A 95 -5.606 -13.891 -22.660 1.00 72.24 C ATOM 1538 O GLN A 95 -5.981 -14.010 -23.836 1.00 55.30 O ATOM 1539 CB GLN A 95 -3.839 -15.322 -21.531 1.00 54.21 C ATOM 1540 CG GLN A 95 -2.358 -15.596 -21.192 1.00 63.40 C ATOM 1541 CD GLN A 95 -1.441 -15.627 -22.419 1.00 21.52 C ATOM 1542 OE1 GLN A 95 -0.872 -14.613 -22.818 1.00 74.31 O ATOM 1543 NE2 GLN A 95 -1.302 -16.783 -23.037 1.00 62.31 N ATOM 0 H GLN A 95 -3.715 -12.990 -20.495 1.00 53.35 H new ATOM 0 HA GLN A 95 -3.534 -13.996 -23.229 1.00 13.22 H new ATOM 0 HB2 GLN A 95 -4.411 -15.307 -20.603 1.00 54.21 H new ATOM 0 HB3 GLN A 95 -4.219 -16.153 -22.126 1.00 54.21 H new ATOM 0 HG2 GLN A 95 -2.004 -14.828 -20.504 1.00 63.40 H new ATOM 0 HG3 GLN A 95 -2.284 -16.550 -20.670 1.00 63.40 H new ATOM 0 HE21 GLN A 95 -1.785 -17.610 -22.686 1.00 62.31 H new ATOM 0 HE22 GLN A 95 -0.712 -16.850 -23.866 1.00 62.31 H new ATOM 1552 N VAL A 96 -6.457 -13.679 -21.630 1.00 72.44 N ATOM 1553 CA VAL A 96 -7.928 -13.768 -21.775 1.00 15.41 C ATOM 1554 C VAL A 96 -8.500 -12.533 -22.499 1.00 42.32 C ATOM 1555 O VAL A 96 -9.419 -12.664 -23.308 1.00 63.35 O ATOM 1556 CB VAL A 96 -8.661 -14.001 -20.391 1.00 31.13 C ATOM 1557 CG1 VAL A 96 -8.151 -15.297 -19.714 1.00 74.32 C ATOM 1558 CG2 VAL A 96 -8.536 -12.786 -19.434 1.00 1.32 C ATOM 0 H VAL A 96 -6.149 -13.444 -20.687 1.00 72.44 H new ATOM 0 HA VAL A 96 -8.124 -14.645 -22.392 1.00 15.41 H new ATOM 0 HB VAL A 96 -9.723 -14.114 -20.610 1.00 31.13 H new ATOM 0 HG11 VAL A 96 -8.667 -15.439 -18.764 1.00 74.32 H new ATOM 0 HG12 VAL A 96 -8.348 -16.149 -20.365 1.00 74.32 H new ATOM 0 HG13 VAL A 96 -7.079 -15.217 -19.536 1.00 74.32 H new ATOM 0 HG21 VAL A 96 -9.057 -13.002 -18.501 1.00 1.32 H new ATOM 0 HG22 VAL A 96 -7.484 -12.594 -19.225 1.00 1.32 H new ATOM 0 HG23 VAL A 96 -8.979 -11.907 -19.902 1.00 1.32 H new ATOM 1568 N LEU A 97 -7.938 -11.344 -22.215 1.00 34.14 N ATOM 1569 CA LEU A 97 -8.325 -10.104 -22.907 1.00 72.12 C ATOM 1570 C LEU A 97 -7.611 -10.102 -24.268 1.00 62.32 C ATOM 1571 O LEU A 97 -6.377 -9.997 -24.335 1.00 53.31 O ATOM 1572 CB LEU A 97 -7.955 -8.841 -22.050 1.00 13.24 C ATOM 1573 CG LEU A 97 -8.733 -7.494 -22.330 1.00 22.12 C ATOM 1574 CD1 LEU A 97 -8.307 -6.390 -21.335 1.00 13.30 C ATOM 1575 CD2 LEU A 97 -8.586 -6.985 -23.785 1.00 44.12 C ATOM 0 H LEU A 97 -7.213 -11.217 -21.509 1.00 34.14 H new ATOM 0 HA LEU A 97 -9.404 -10.063 -23.053 1.00 72.12 H new ATOM 0 HB2 LEU A 97 -8.100 -9.097 -21.000 1.00 13.24 H new ATOM 0 HB3 LEU A 97 -6.891 -8.646 -22.187 1.00 13.24 H new ATOM 0 HG LEU A 97 -9.788 -7.727 -22.185 1.00 22.12 H new ATOM 0 HD11 LEU A 97 -8.857 -5.474 -21.550 1.00 13.30 H new ATOM 0 HD12 LEU A 97 -8.525 -6.714 -20.317 1.00 13.30 H new ATOM 0 HD13 LEU A 97 -7.238 -6.203 -21.435 1.00 13.30 H new ATOM 0 HD21 LEU A 97 -9.146 -6.057 -23.904 1.00 44.12 H new ATOM 0 HD22 LEU A 97 -7.533 -6.804 -24.003 1.00 44.12 H new ATOM 0 HD23 LEU A 97 -8.975 -7.735 -24.474 1.00 44.12 H new ATOM 1830 N ILE A 429 -15.959 -14.362 -20.800 1.00 34.00 N ATOM 1831 CA ILE A 429 -14.614 -13.767 -20.986 1.00 15.14 C ATOM 1832 C ILE A 429 -14.612 -12.303 -20.501 1.00 31.32 C ATOM 1833 O ILE A 429 -13.634 -11.848 -19.910 1.00 15.33 O ATOM 1834 CB ILE A 429 -14.111 -13.897 -22.490 1.00 41.13 C ATOM 1835 CG1 ILE A 429 -12.649 -13.332 -22.730 1.00 13.03 C ATOM 1836 CG2 ILE A 429 -15.111 -13.267 -23.480 1.00 64.22 C ATOM 1837 CD1 ILE A 429 -12.529 -11.846 -23.106 1.00 21.53 C ATOM 0 HA ILE A 429 -13.904 -14.328 -20.378 1.00 15.14 H new ATOM 0 HB ILE A 429 -14.057 -14.969 -22.682 1.00 41.13 H new ATOM 0 HG12 ILE A 429 -12.068 -13.500 -21.824 1.00 13.03 H new ATOM 0 HG13 ILE A 429 -12.184 -13.920 -23.521 1.00 13.03 H new ATOM 0 HG21 ILE A 429 -14.733 -13.375 -24.497 1.00 64.22 H new ATOM 0 HG22 ILE A 429 -16.074 -13.771 -23.395 1.00 64.22 H new ATOM 0 HG23 ILE A 429 -15.234 -12.209 -23.249 1.00 64.22 H new ATOM 0 HD11 ILE A 429 -11.479 -11.589 -23.242 1.00 21.53 H new ATOM 0 HD12 ILE A 429 -13.071 -11.660 -24.033 1.00 21.53 H new ATOM 0 HD13 ILE A 429 -12.953 -11.234 -22.310 1.00 21.53 H new ATOM 1849 N ASP A 430 -15.738 -11.603 -20.717 1.00 72.20 N ATOM 1850 CA ASP A 430 -15.947 -10.228 -20.240 1.00 34.22 C ATOM 1851 C ASP A 430 -15.829 -10.139 -18.712 1.00 15.11 C ATOM 1852 O ASP A 430 -15.177 -9.229 -18.193 1.00 64.10 O ATOM 1853 CB ASP A 430 -17.334 -9.725 -20.694 1.00 13.23 C ATOM 1854 CG ASP A 430 -17.744 -8.387 -20.047 1.00 62.24 C ATOM 1855 OD1 ASP A 430 -17.189 -7.336 -20.428 1.00 32.20 O ATOM 1856 OD2 ASP A 430 -18.624 -8.379 -19.157 1.00 52.11 O ATOM 0 H ASP A 430 -16.534 -11.979 -21.232 1.00 72.20 H new ATOM 0 HA ASP A 430 -15.170 -9.597 -20.671 1.00 34.22 H new ATOM 0 HB2 ASP A 430 -17.333 -9.610 -21.778 1.00 13.23 H new ATOM 0 HB3 ASP A 430 -18.082 -10.480 -20.454 1.00 13.23 H new ATOM 1861 N GLU A 431 -16.469 -11.100 -18.011 1.00 43.31 N ATOM 1862 CA GLU A 431 -16.525 -11.121 -16.543 1.00 64.32 C ATOM 1863 C GLU A 431 -15.133 -11.359 -15.950 1.00 5.32 C ATOM 1864 O GLU A 431 -14.709 -10.613 -15.075 1.00 11.12 O ATOM 1865 CB GLU A 431 -17.511 -12.198 -16.039 1.00 52.02 C ATOM 1866 CG GLU A 431 -18.972 -11.985 -16.464 1.00 15.34 C ATOM 1867 CD GLU A 431 -19.886 -13.077 -15.893 1.00 32.30 C ATOM 1868 OE1 GLU A 431 -19.845 -14.215 -16.407 1.00 34.31 O ATOM 1869 OE2 GLU A 431 -20.624 -12.817 -14.912 1.00 71.21 O ATOM 0 H GLU A 431 -16.959 -11.879 -18.451 1.00 43.31 H new ATOM 0 HA GLU A 431 -16.884 -10.147 -16.211 1.00 64.32 H new ATOM 0 HB2 GLU A 431 -17.180 -13.171 -16.402 1.00 52.02 H new ATOM 0 HB3 GLU A 431 -17.465 -12.231 -14.950 1.00 52.02 H new ATOM 0 HG2 GLU A 431 -19.313 -11.008 -16.122 1.00 15.34 H new ATOM 0 HG3 GLU A 431 -19.040 -11.984 -17.552 1.00 15.34 H new ATOM 1876 N THR A 432 -14.411 -12.385 -16.459 1.00 14.53 N ATOM 1877 CA THR A 432 -13.078 -12.746 -15.935 1.00 24.12 C ATOM 1878 C THR A 432 -12.050 -11.625 -16.197 1.00 74.12 C ATOM 1879 O THR A 432 -11.168 -11.383 -15.363 1.00 74.21 O ATOM 1880 CB THR A 432 -12.561 -14.120 -16.487 1.00 51.10 C ATOM 1881 OG1 THR A 432 -11.343 -14.480 -15.825 1.00 21.43 O ATOM 1882 CG2 THR A 432 -12.320 -14.109 -18.003 1.00 13.40 C ATOM 0 H THR A 432 -14.730 -12.973 -17.229 1.00 14.53 H new ATOM 0 HA THR A 432 -13.193 -12.862 -14.857 1.00 24.12 H new ATOM 0 HB THR A 432 -13.345 -14.851 -16.286 1.00 51.10 H new ATOM 0 HG1 THR A 432 -11.273 -13.989 -14.980 1.00 21.43 H new ATOM 0 HG21 THR A 432 -11.963 -15.088 -18.322 1.00 13.40 H new ATOM 0 HG22 THR A 432 -13.252 -13.877 -18.518 1.00 13.40 H new ATOM 0 HG23 THR A 432 -11.573 -13.354 -18.247 1.00 13.40 H new ATOM 1890 N VAL A 433 -12.192 -10.920 -17.342 1.00 73.42 N ATOM 1891 CA VAL A 433 -11.418 -9.701 -17.614 1.00 63.11 C ATOM 1892 C VAL A 433 -11.760 -8.648 -16.549 1.00 24.50 C ATOM 1893 O VAL A 433 -10.876 -8.166 -15.876 1.00 71.01 O ATOM 1894 CB VAL A 433 -11.669 -9.140 -19.074 1.00 11.25 C ATOM 1895 CG1 VAL A 433 -11.094 -7.712 -19.257 1.00 23.34 C ATOM 1896 CG2 VAL A 433 -11.076 -10.100 -20.135 1.00 2.15 C ATOM 0 H VAL A 433 -12.837 -11.179 -18.089 1.00 73.42 H new ATOM 0 HA VAL A 433 -10.357 -9.946 -17.563 1.00 63.11 H new ATOM 0 HB VAL A 433 -12.748 -9.078 -19.214 1.00 11.25 H new ATOM 0 HG11 VAL A 433 -11.290 -7.368 -20.273 1.00 23.34 H new ATOM 0 HG12 VAL A 433 -11.569 -7.035 -18.547 1.00 23.34 H new ATOM 0 HG13 VAL A 433 -10.019 -7.727 -19.080 1.00 23.34 H new ATOM 0 HG21 VAL A 433 -11.258 -9.698 -21.132 1.00 2.15 H new ATOM 0 HG22 VAL A 433 -10.003 -10.201 -19.975 1.00 2.15 H new ATOM 0 HG23 VAL A 433 -11.549 -11.078 -20.046 1.00 2.15 H new ATOM 1906 N ALA A 434 -13.068 -8.405 -16.347 1.00 70.14 N ATOM 1907 CA ALA A 434 -13.578 -7.358 -15.440 1.00 62.52 C ATOM 1908 C ALA A 434 -13.119 -7.565 -13.978 1.00 64.35 C ATOM 1909 O ALA A 434 -12.766 -6.596 -13.298 1.00 60.33 O ATOM 1910 CB ALA A 434 -15.115 -7.302 -15.522 1.00 30.55 C ATOM 0 H ALA A 434 -13.807 -8.933 -16.812 1.00 70.14 H new ATOM 0 HA ALA A 434 -13.159 -6.407 -15.768 1.00 62.52 H new ATOM 0 HB1 ALA A 434 -15.487 -6.528 -14.851 1.00 30.55 H new ATOM 0 HB2 ALA A 434 -15.417 -7.072 -16.544 1.00 30.55 H new ATOM 0 HB3 ALA A 434 -15.530 -8.266 -15.229 1.00 30.55 H new ATOM 1916 N ARG A 435 -13.104 -8.835 -13.514 1.00 0.42 N ATOM 1917 CA ARG A 435 -12.777 -9.171 -12.115 1.00 40.30 C ATOM 1918 C ARG A 435 -11.271 -9.070 -11.883 1.00 53.25 C ATOM 1919 O ARG A 435 -10.829 -8.339 -11.000 1.00 25.13 O ATOM 1920 CB ARG A 435 -13.291 -10.591 -11.731 1.00 12.04 C ATOM 1921 CG ARG A 435 -14.807 -10.813 -11.956 1.00 22.40 C ATOM 1922 CD ARG A 435 -15.693 -9.694 -11.368 1.00 42.34 C ATOM 1923 NE ARG A 435 -17.110 -9.867 -11.731 1.00 32.14 N ATOM 1924 CZ ARG A 435 -17.911 -8.926 -12.259 1.00 23.20 C ATOM 1925 NH1 ARG A 435 -17.461 -7.698 -12.515 1.00 34.32 N ATOM 1926 NH2 ARG A 435 -19.174 -9.220 -12.507 1.00 25.35 N ATOM 0 H ARG A 435 -13.316 -9.647 -14.094 1.00 0.42 H new ATOM 0 HA ARG A 435 -13.284 -8.450 -11.473 1.00 40.30 H new ATOM 0 HB2 ARG A 435 -12.739 -11.331 -12.310 1.00 12.04 H new ATOM 0 HB3 ARG A 435 -13.063 -10.774 -10.681 1.00 12.04 H new ATOM 0 HG2 ARG A 435 -14.999 -10.891 -13.026 1.00 22.40 H new ATOM 0 HG3 ARG A 435 -15.096 -11.765 -11.510 1.00 22.40 H new ATOM 0 HD2 ARG A 435 -15.595 -9.686 -10.282 1.00 42.34 H new ATOM 0 HD3 ARG A 435 -15.342 -8.727 -11.727 1.00 42.34 H new ATOM 0 HE ARG A 435 -17.521 -10.786 -11.566 1.00 32.14 H new ATOM 0 HH11 ARG A 435 -16.491 -7.457 -12.310 1.00 34.32 H new ATOM 0 HH12 ARG A 435 -18.086 -6.999 -12.916 1.00 34.32 H new ATOM 0 HH21 ARG A 435 -19.531 -10.152 -12.298 1.00 25.35 H new ATOM 0 HH22 ARG A 435 -19.793 -8.515 -12.908 1.00 25.35 H new ATOM 1940 N TYR A 436 -10.489 -9.783 -12.715 1.00 73.14 N ATOM 1941 CA TYR A 436 -9.022 -9.829 -12.582 1.00 44.22 C ATOM 1942 C TYR A 436 -8.385 -8.464 -12.907 1.00 72.42 C ATOM 1943 O TYR A 436 -7.316 -8.164 -12.389 1.00 33.15 O ATOM 1944 CB TYR A 436 -8.416 -10.950 -13.471 1.00 71.24 C ATOM 1945 CG TYR A 436 -8.698 -12.379 -12.965 1.00 44.34 C ATOM 1946 CD1 TYR A 436 -7.683 -13.175 -12.431 1.00 51.11 C ATOM 1947 CD2 TYR A 436 -9.979 -12.937 -13.031 1.00 33.23 C ATOM 1948 CE1 TYR A 436 -7.935 -14.461 -11.986 1.00 42.43 C ATOM 1949 CE2 TYR A 436 -10.233 -14.218 -12.584 1.00 20.05 C ATOM 1950 CZ TYR A 436 -9.212 -14.976 -12.067 1.00 44.10 C ATOM 1951 OH TYR A 436 -9.465 -16.261 -11.628 1.00 65.14 O ATOM 0 H TYR A 436 -10.852 -10.338 -13.490 1.00 73.14 H new ATOM 0 HA TYR A 436 -8.793 -10.062 -11.542 1.00 44.22 H new ATOM 0 HB2 TYR A 436 -8.811 -10.850 -14.482 1.00 71.24 H new ATOM 0 HB3 TYR A 436 -7.338 -10.805 -13.534 1.00 71.24 H new ATOM 0 HD1 TYR A 436 -6.680 -12.779 -12.364 1.00 51.11 H new ATOM 0 HD2 TYR A 436 -10.789 -12.352 -13.441 1.00 33.23 H new ATOM 0 HE1 TYR A 436 -7.134 -15.059 -11.577 1.00 42.43 H new ATOM 0 HE2 TYR A 436 -11.233 -14.623 -12.641 1.00 20.05 H new ATOM 0 HH TYR A 436 -10.414 -16.469 -11.754 1.00 65.14 H new ATOM 1961 N LYS A 437 -9.056 -7.651 -13.756 1.00 13.33 N ATOM 1962 CA LYS A 437 -8.598 -6.284 -14.104 1.00 63.20 C ATOM 1963 C LYS A 437 -8.877 -5.319 -12.957 1.00 60.35 C ATOM 1964 O LYS A 437 -8.034 -4.485 -12.648 1.00 54.23 O ATOM 1965 CB LYS A 437 -9.254 -5.769 -15.417 1.00 34.34 C ATOM 1966 CG LYS A 437 -8.857 -4.335 -15.824 1.00 31.43 C ATOM 1967 CD LYS A 437 -9.426 -3.896 -17.194 1.00 52.03 C ATOM 1968 CE LYS A 437 -9.024 -2.452 -17.546 1.00 4.03 C ATOM 1969 NZ LYS A 437 -7.543 -2.265 -17.560 1.00 25.42 N ATOM 0 H LYS A 437 -9.925 -7.921 -14.217 1.00 13.33 H new ATOM 0 HA LYS A 437 -7.522 -6.334 -14.272 1.00 63.20 H new ATOM 0 HB2 LYS A 437 -8.989 -6.447 -16.228 1.00 34.34 H new ATOM 0 HB3 LYS A 437 -10.337 -5.812 -15.306 1.00 34.34 H new ATOM 0 HG2 LYS A 437 -9.203 -3.641 -15.058 1.00 31.43 H new ATOM 0 HG3 LYS A 437 -7.770 -4.263 -15.852 1.00 31.43 H new ATOM 0 HD2 LYS A 437 -9.067 -4.572 -17.970 1.00 52.03 H new ATOM 0 HD3 LYS A 437 -10.513 -3.977 -17.179 1.00 52.03 H new ATOM 0 HE2 LYS A 437 -9.430 -2.192 -18.523 1.00 4.03 H new ATOM 0 HE3 LYS A 437 -9.468 -1.767 -16.824 1.00 4.03 H new ATOM 0 HZ1 LYS A 437 -7.314 -1.334 -17.963 1.00 25.42 H new ATOM 0 HZ2 LYS A 437 -7.177 -2.321 -16.588 1.00 25.42 H new ATOM 0 HZ3 LYS A 437 -7.105 -3.010 -18.138 1.00 25.42 H new ATOM 1983 N ALA A 438 -10.068 -5.437 -12.332 1.00 2.14 N ATOM 1984 CA ALA A 438 -10.428 -4.604 -11.171 1.00 61.22 C ATOM 1985 C ALA A 438 -9.460 -4.879 -10.008 1.00 2.24 C ATOM 1986 O ALA A 438 -8.858 -3.950 -9.470 1.00 33.34 O ATOM 1987 CB ALA A 438 -11.888 -4.836 -10.756 1.00 32.24 C ATOM 0 H ALA A 438 -10.792 -6.099 -12.612 1.00 2.14 H new ATOM 0 HA ALA A 438 -10.338 -3.554 -11.451 1.00 61.22 H new ATOM 0 HB1 ALA A 438 -12.126 -4.209 -9.897 1.00 32.24 H new ATOM 0 HB2 ALA A 438 -12.547 -4.581 -11.586 1.00 32.24 H new ATOM 0 HB3 ALA A 438 -12.029 -5.884 -10.490 1.00 32.24 H new ATOM 1993 N GLN A 439 -9.271 -6.179 -9.691 1.00 4.15 N ATOM 1994 CA GLN A 439 -8.341 -6.632 -8.640 1.00 15.24 C ATOM 1995 C GLN A 439 -6.898 -6.195 -8.950 1.00 3.45 C ATOM 1996 O GLN A 439 -6.207 -5.695 -8.065 1.00 3.35 O ATOM 1997 CB GLN A 439 -8.409 -8.176 -8.468 1.00 4.12 C ATOM 1998 CG GLN A 439 -9.771 -8.725 -7.990 1.00 12.24 C ATOM 1999 CD GLN A 439 -10.232 -8.136 -6.658 1.00 4.34 C ATOM 2000 OE1 GLN A 439 -9.890 -8.646 -5.594 1.00 71.40 O ATOM 2001 NE2 GLN A 439 -11.037 -7.081 -6.710 1.00 21.01 N ATOM 0 H GLN A 439 -9.761 -6.942 -10.159 1.00 4.15 H new ATOM 0 HA GLN A 439 -8.647 -6.164 -7.704 1.00 15.24 H new ATOM 0 HB2 GLN A 439 -8.161 -8.643 -9.421 1.00 4.12 H new ATOM 0 HB3 GLN A 439 -7.642 -8.480 -7.755 1.00 4.12 H new ATOM 0 HG2 GLN A 439 -10.524 -8.518 -8.750 1.00 12.24 H new ATOM 0 HG3 GLN A 439 -9.704 -9.809 -7.895 1.00 12.24 H new ATOM 0 HE21 GLN A 439 -11.300 -6.684 -7.612 1.00 21.01 H new ATOM 0 HE22 GLN A 439 -11.392 -6.668 -5.848 1.00 21.01 H new ATOM 2010 N PHE A 440 -6.468 -6.362 -10.224 1.00 0.13 N ATOM 2011 CA PHE A 440 -5.117 -5.967 -10.669 1.00 5.33 C ATOM 2012 C PHE A 440 -4.894 -4.467 -10.434 1.00 45.35 C ATOM 2013 O PHE A 440 -3.985 -4.104 -9.711 1.00 0.03 O ATOM 2014 CB PHE A 440 -4.876 -6.319 -12.164 1.00 60.22 C ATOM 2015 CG PHE A 440 -3.502 -5.895 -12.700 1.00 72.44 C ATOM 2016 CD1 PHE A 440 -2.365 -6.646 -12.420 1.00 40.35 C ATOM 2017 CD2 PHE A 440 -3.345 -4.729 -13.459 1.00 1.21 C ATOM 2018 CE1 PHE A 440 -1.123 -6.248 -12.875 1.00 3.24 C ATOM 2019 CE2 PHE A 440 -2.102 -4.337 -13.917 1.00 61.24 C ATOM 2020 CZ PHE A 440 -0.992 -5.096 -13.621 1.00 23.33 C ATOM 0 H PHE A 440 -7.043 -6.770 -10.961 1.00 0.13 H new ATOM 0 HA PHE A 440 -4.398 -6.532 -10.076 1.00 5.33 H new ATOM 0 HB2 PHE A 440 -4.987 -7.396 -12.294 1.00 60.22 H new ATOM 0 HB3 PHE A 440 -5.650 -5.844 -12.766 1.00 60.22 H new ATOM 0 HD1 PHE A 440 -2.455 -7.552 -11.839 1.00 40.35 H new ATOM 0 HD2 PHE A 440 -4.210 -4.126 -13.690 1.00 1.21 H new ATOM 0 HE1 PHE A 440 -0.251 -6.842 -12.645 1.00 3.24 H new ATOM 0 HE2 PHE A 440 -2.001 -3.437 -14.506 1.00 61.24 H new ATOM 0 HZ PHE A 440 -0.018 -4.789 -13.973 1.00 23.33 H new ATOM 2030 N THR A 441 -5.776 -3.631 -11.021 1.00 50.03 N ATOM 2031 CA THR A 441 -5.671 -2.156 -10.985 1.00 64.23 C ATOM 2032 C THR A 441 -5.679 -1.610 -9.535 1.00 71.51 C ATOM 2033 O THR A 441 -4.986 -0.645 -9.236 1.00 20.33 O ATOM 2034 CB THR A 441 -6.834 -1.496 -11.809 1.00 20.34 C ATOM 2035 OG1 THR A 441 -6.873 -2.062 -13.127 1.00 60.23 O ATOM 2036 CG2 THR A 441 -6.691 0.035 -11.929 1.00 75.51 C ATOM 0 H THR A 441 -6.589 -3.964 -11.539 1.00 50.03 H new ATOM 0 HA THR A 441 -4.715 -1.893 -11.438 1.00 64.23 H new ATOM 0 HB THR A 441 -7.758 -1.700 -11.268 1.00 20.34 H new ATOM 0 HG1 THR A 441 -7.291 -2.948 -13.090 1.00 60.23 H new ATOM 0 HG21 THR A 441 -7.523 0.434 -12.509 1.00 75.51 H new ATOM 0 HG22 THR A 441 -6.696 0.480 -10.934 1.00 75.51 H new ATOM 0 HG23 THR A 441 -5.753 0.275 -12.429 1.00 75.51 H new ATOM 2044 N GLN A 442 -6.459 -2.261 -8.656 1.00 73.21 N ATOM 2045 CA GLN A 442 -6.578 -1.886 -7.228 1.00 45.34 C ATOM 2046 C GLN A 442 -5.295 -2.222 -6.445 1.00 10.12 C ATOM 2047 O GLN A 442 -4.757 -1.370 -5.744 1.00 22.30 O ATOM 2048 CB GLN A 442 -7.817 -2.574 -6.606 1.00 23.13 C ATOM 2049 CG GLN A 442 -9.166 -1.992 -7.092 1.00 12.14 C ATOM 2050 CD GLN A 442 -10.389 -2.822 -6.692 1.00 35.33 C ATOM 2051 OE1 GLN A 442 -10.258 -4.145 -6.689 1.00 31.12 O flip ATOM 2052 NE2 GLN A 442 -11.465 -2.280 -6.441 1.00 65.04 N flip ATOM 0 H GLN A 442 -7.029 -3.067 -8.913 1.00 73.21 H new ATOM 0 HA GLN A 442 -6.711 -0.806 -7.165 1.00 45.34 H new ATOM 0 HB2 GLN A 442 -7.786 -3.638 -6.840 1.00 23.13 H new ATOM 0 HB3 GLN A 442 -7.764 -2.485 -5.521 1.00 23.13 H new ATOM 0 HG2 GLN A 442 -9.279 -0.984 -6.693 1.00 12.14 H new ATOM 0 HG3 GLN A 442 -9.140 -1.904 -8.178 1.00 12.14 H new ATOM 0 HE21 GLN A 442 -11.538 -1.263 -6.450 1.00 65.04 H new ATOM 0 HE22 GLN A 442 -12.284 -2.848 -6.224 1.00 65.04 H new ATOM 2061 N LEU A 443 -4.803 -3.468 -6.592 1.00 4.43 N ATOM 2062 CA LEU A 443 -3.528 -3.907 -5.969 1.00 12.32 C ATOM 2063 C LEU A 443 -2.307 -3.204 -6.635 1.00 32.40 C ATOM 2064 O LEU A 443 -1.239 -3.120 -6.023 1.00 3.41 O ATOM 2065 CB LEU A 443 -3.361 -5.466 -6.034 1.00 63.32 C ATOM 2066 CG LEU A 443 -4.128 -6.354 -4.981 1.00 14.21 C ATOM 2067 CD1 LEU A 443 -5.656 -6.209 -5.069 1.00 20.20 C ATOM 2068 CD2 LEU A 443 -3.719 -7.843 -5.121 1.00 21.11 C ATOM 0 H LEU A 443 -5.267 -4.194 -7.138 1.00 4.43 H new ATOM 0 HA LEU A 443 -3.565 -3.615 -4.919 1.00 12.32 H new ATOM 0 HB2 LEU A 443 -3.670 -5.790 -7.028 1.00 63.32 H new ATOM 0 HB3 LEU A 443 -2.298 -5.689 -5.942 1.00 63.32 H new ATOM 0 HG LEU A 443 -3.834 -5.989 -3.997 1.00 14.21 H new ATOM 0 HD11 LEU A 443 -6.126 -6.845 -4.319 1.00 20.20 H new ATOM 0 HD12 LEU A 443 -5.934 -5.170 -4.890 1.00 20.20 H new ATOM 0 HD13 LEU A 443 -5.993 -6.509 -6.061 1.00 20.20 H new ATOM 0 HD21 LEU A 443 -4.259 -8.439 -4.386 1.00 21.11 H new ATOM 0 HD22 LEU A 443 -3.963 -8.195 -6.123 1.00 21.11 H new ATOM 0 HD23 LEU A 443 -2.647 -7.943 -4.952 1.00 21.11 H new ATOM 2080 N ASP A 444 -2.489 -2.714 -7.886 1.00 14.32 N ATOM 2081 CA ASP A 444 -1.424 -2.060 -8.682 1.00 51.13 C ATOM 2082 C ASP A 444 -1.282 -0.590 -8.294 1.00 10.13 C ATOM 2083 O ASP A 444 -0.162 -0.088 -8.173 1.00 54.34 O ATOM 2084 CB ASP A 444 -1.694 -2.173 -10.210 1.00 23.51 C ATOM 2085 CG ASP A 444 -0.562 -1.559 -11.063 1.00 63.14 C ATOM 2086 OD1 ASP A 444 -0.652 -0.369 -11.461 1.00 52.00 O ATOM 2087 OD2 ASP A 444 0.439 -2.257 -11.319 1.00 64.14 O ATOM 0 H ASP A 444 -3.384 -2.762 -8.373 1.00 14.32 H new ATOM 0 HA ASP A 444 -0.493 -2.582 -8.460 1.00 51.13 H new ATOM 0 HB2 ASP A 444 -1.815 -3.223 -10.477 1.00 23.51 H new ATOM 0 HB3 ASP A 444 -2.633 -1.673 -10.447 1.00 23.51 H new ATOM 2092 N THR A 445 -2.426 0.106 -8.128 1.00 2.25 N ATOM 2093 CA THR A 445 -2.432 1.502 -7.675 1.00 1.41 C ATOM 2094 C THR A 445 -2.004 1.553 -6.199 1.00 31.01 C ATOM 2095 O THR A 445 -1.336 2.504 -5.781 1.00 43.14 O ATOM 2096 CB THR A 445 -3.809 2.228 -7.908 1.00 2.34 C ATOM 2097 OG1 THR A 445 -3.665 3.637 -7.664 1.00 34.51 O ATOM 2098 CG2 THR A 445 -4.944 1.682 -7.023 1.00 13.22 C ATOM 0 H THR A 445 -3.354 -0.281 -8.302 1.00 2.25 H new ATOM 0 HA THR A 445 -1.716 2.054 -8.283 1.00 1.41 H new ATOM 0 HB THR A 445 -4.085 2.037 -8.945 1.00 2.34 H new ATOM 0 HG1 THR A 445 -4.524 4.084 -7.812 1.00 34.51 H new ATOM 0 HG21 THR A 445 -5.864 2.226 -7.234 1.00 13.22 H new ATOM 0 HG22 THR A 445 -5.092 0.623 -7.234 1.00 13.22 H new ATOM 0 HG23 THR A 445 -4.680 1.809 -5.973 1.00 13.22 H new ATOM 2106 N MET A 446 -2.349 0.482 -5.441 1.00 65.13 N ATOM 2107 CA MET A 446 -1.865 0.283 -4.077 1.00 51.32 C ATOM 2108 C MET A 446 -0.340 0.135 -4.089 1.00 34.11 C ATOM 2109 O MET A 446 0.333 0.785 -3.306 1.00 55.12 O ATOM 2110 CB MET A 446 -2.511 -0.964 -3.407 1.00 13.52 C ATOM 2111 CG MET A 446 -2.118 -1.139 -1.934 1.00 70.10 C ATOM 2112 SD MET A 446 -2.834 -2.604 -1.160 1.00 63.05 S ATOM 2113 CE MET A 446 -2.217 -2.434 0.518 1.00 12.44 C ATOM 0 H MET A 446 -2.969 -0.258 -5.769 1.00 65.13 H new ATOM 0 HA MET A 446 -2.150 1.157 -3.491 1.00 51.32 H new ATOM 0 HB2 MET A 446 -3.596 -0.884 -3.479 1.00 13.52 H new ATOM 0 HB3 MET A 446 -2.220 -1.856 -3.961 1.00 13.52 H new ATOM 0 HG2 MET A 446 -1.032 -1.195 -1.861 1.00 70.10 H new ATOM 0 HG3 MET A 446 -2.430 -0.256 -1.377 1.00 70.10 H new ATOM 0 HE1 MET A 446 -1.595 -3.294 0.766 1.00 12.44 H new ATOM 0 HE2 MET A 446 -1.624 -1.523 0.597 1.00 12.44 H new ATOM 0 HE3 MET A 446 -3.057 -2.382 1.211 1.00 12.44 H new ATOM 2123 N MET A 447 0.174 -0.703 -5.025 1.00 73.01 N ATOM 2124 CA MET A 447 1.618 -0.999 -5.164 1.00 23.42 C ATOM 2125 C MET A 447 2.436 0.245 -5.517 1.00 73.53 C ATOM 2126 O MET A 447 3.442 0.526 -4.865 1.00 3.21 O ATOM 2127 CB MET A 447 1.880 -2.119 -6.207 1.00 23.14 C ATOM 2128 CG MET A 447 3.364 -2.276 -6.630 1.00 43.33 C ATOM 2129 SD MET A 447 3.748 -3.915 -7.254 1.00 42.31 S ATOM 2130 CE MET A 447 3.577 -4.862 -5.746 1.00 65.50 C ATOM 0 H MET A 447 -0.406 -1.193 -5.706 1.00 73.01 H new ATOM 0 HA MET A 447 1.947 -1.352 -4.186 1.00 23.42 H new ATOM 0 HB2 MET A 447 1.531 -3.067 -5.798 1.00 23.14 H new ATOM 0 HB3 MET A 447 1.282 -1.916 -7.096 1.00 23.14 H new ATOM 0 HG2 MET A 447 3.597 -1.538 -7.397 1.00 43.33 H new ATOM 0 HG3 MET A 447 4.004 -2.060 -5.775 1.00 43.33 H new ATOM 0 HE1 MET A 447 4.332 -5.648 -5.722 1.00 65.50 H new ATOM 0 HE2 MET A 447 3.710 -4.205 -4.887 1.00 65.50 H new ATOM 0 HE3 MET A 447 2.585 -5.312 -5.709 1.00 65.50 H new ATOM 2140 N SER A 448 1.996 0.973 -6.552 1.00 33.31 N ATOM 2141 CA SER A 448 2.705 2.153 -7.063 1.00 71.21 C ATOM 2142 C SER A 448 2.753 3.263 -6.001 1.00 24.12 C ATOM 2143 O SER A 448 3.779 3.948 -5.843 1.00 3.55 O ATOM 2144 CB SER A 448 2.027 2.639 -8.360 1.00 34.13 C ATOM 2145 OG SER A 448 0.631 2.797 -8.183 1.00 54.04 O ATOM 0 H SER A 448 1.137 0.760 -7.059 1.00 33.31 H new ATOM 0 HA SER A 448 3.736 1.883 -7.292 1.00 71.21 H new ATOM 0 HB2 SER A 448 2.466 3.588 -8.669 1.00 34.13 H new ATOM 0 HB3 SER A 448 2.216 1.924 -9.161 1.00 34.13 H new ATOM 0 HG SER A 448 0.228 3.107 -9.021 1.00 54.04 H new ATOM 2151 N LYS A 449 1.643 3.405 -5.246 1.00 0.30 N ATOM 2152 CA LYS A 449 1.578 4.345 -4.125 1.00 62.44 C ATOM 2153 C LYS A 449 2.450 3.871 -2.958 1.00 43.34 C ATOM 2154 O LYS A 449 3.211 4.665 -2.429 1.00 72.02 O ATOM 2155 CB LYS A 449 0.119 4.603 -3.668 1.00 45.23 C ATOM 2156 CG LYS A 449 -0.723 5.405 -4.691 1.00 22.44 C ATOM 2157 CD LYS A 449 -2.113 5.810 -4.147 1.00 64.31 C ATOM 2158 CE LYS A 449 -2.022 6.766 -2.945 1.00 13.01 C ATOM 2159 NZ LYS A 449 -3.362 7.138 -2.431 1.00 30.10 N ATOM 0 H LYS A 449 0.784 2.877 -5.399 1.00 0.30 H new ATOM 0 HA LYS A 449 1.975 5.297 -4.478 1.00 62.44 H new ATOM 0 HB2 LYS A 449 -0.368 3.646 -3.481 1.00 45.23 H new ATOM 0 HB3 LYS A 449 0.135 5.143 -2.721 1.00 45.23 H new ATOM 0 HG2 LYS A 449 -0.176 6.303 -4.978 1.00 22.44 H new ATOM 0 HG3 LYS A 449 -0.852 4.808 -5.594 1.00 22.44 H new ATOM 0 HD2 LYS A 449 -2.686 6.286 -4.943 1.00 64.31 H new ATOM 0 HD3 LYS A 449 -2.659 4.914 -3.853 1.00 64.31 H new ATOM 0 HE2 LYS A 449 -1.446 6.294 -2.149 1.00 13.01 H new ATOM 0 HE3 LYS A 449 -1.483 7.667 -3.238 1.00 13.01 H new ATOM 0 HZ1 LYS A 449 -3.267 7.908 -1.738 1.00 30.10 H new ATOM 0 HZ2 LYS A 449 -3.961 7.455 -3.220 1.00 30.10 H new ATOM 0 HZ3 LYS A 449 -3.800 6.313 -1.974 1.00 30.10 H new ATOM 2173 N LEU A 450 2.385 2.562 -2.604 1.00 15.12 N ATOM 2174 CA LEU A 450 3.134 2.022 -1.441 1.00 1.11 C ATOM 2175 C LEU A 450 4.644 1.957 -1.741 1.00 71.54 C ATOM 2176 O LEU A 450 5.457 1.880 -0.824 1.00 53.52 O ATOM 2177 CB LEU A 450 2.549 0.655 -0.918 1.00 61.23 C ATOM 2178 CG LEU A 450 2.765 -0.679 -1.733 1.00 61.13 C ATOM 2179 CD1 LEU A 450 4.184 -1.297 -1.585 1.00 10.41 C ATOM 2180 CD2 LEU A 450 1.689 -1.726 -1.356 1.00 2.42 C ATOM 0 H LEU A 450 1.828 1.868 -3.102 1.00 15.12 H new ATOM 0 HA LEU A 450 3.000 2.720 -0.615 1.00 1.11 H new ATOM 0 HB2 LEU A 450 2.958 0.492 0.079 1.00 61.23 H new ATOM 0 HB3 LEU A 450 1.474 0.790 -0.803 1.00 61.23 H new ATOM 0 HG LEU A 450 2.666 -0.399 -2.782 1.00 61.13 H new ATOM 0 HD11 LEU A 450 4.247 -2.210 -2.177 1.00 10.41 H new ATOM 0 HD12 LEU A 450 4.930 -0.584 -1.937 1.00 10.41 H new ATOM 0 HD13 LEU A 450 4.372 -1.530 -0.537 1.00 10.41 H new ATOM 0 HD21 LEU A 450 1.854 -2.639 -1.928 1.00 2.42 H new ATOM 0 HD22 LEU A 450 1.755 -1.948 -0.291 1.00 2.42 H new ATOM 0 HD23 LEU A 450 0.700 -1.329 -1.584 1.00 2.42 H new ATOM 2192 N ASN A 451 4.990 1.991 -3.039 1.00 14.44 N ATOM 2193 CA ASN A 451 6.381 2.049 -3.519 1.00 24.20 C ATOM 2194 C ASN A 451 6.932 3.469 -3.300 1.00 22.44 C ATOM 2195 O ASN A 451 8.026 3.648 -2.739 1.00 50.03 O ATOM 2196 CB ASN A 451 6.441 1.659 -5.024 1.00 75.43 C ATOM 2197 CG ASN A 451 7.864 1.573 -5.591 1.00 5.21 C ATOM 2198 OD1 ASN A 451 8.493 0.514 -5.563 1.00 14.25 O ATOM 2199 ND2 ASN A 451 8.379 2.675 -6.100 1.00 24.34 N ATOM 0 H ASN A 451 4.303 1.979 -3.793 1.00 14.44 H new ATOM 0 HA ASN A 451 6.994 1.341 -2.961 1.00 24.20 H new ATOM 0 HB2 ASN A 451 5.949 0.696 -5.159 1.00 75.43 H new ATOM 0 HB3 ASN A 451 5.875 2.390 -5.601 1.00 75.43 H new ATOM 0 HD21 ASN A 451 9.323 2.666 -6.485 1.00 24.34 H new ATOM 0 HD22 ASN A 451 7.833 3.536 -6.109 1.00 24.34 H new ATOM 2206 N ASN A 452 6.138 4.470 -3.745 1.00 51.00 N ATOM 2207 CA ASN A 452 6.458 5.901 -3.578 1.00 42.33 C ATOM 2208 C ASN A 452 6.572 6.259 -2.087 1.00 24.14 C ATOM 2209 O ASN A 452 7.523 6.948 -1.667 1.00 14.34 O ATOM 2210 CB ASN A 452 5.371 6.789 -4.243 1.00 41.54 C ATOM 2211 CG ASN A 452 5.660 8.300 -4.139 1.00 62.11 C ATOM 2212 OD1 ASN A 452 6.810 8.742 -4.188 1.00 71.53 O ATOM 2213 ND2 ASN A 452 4.626 9.099 -3.973 1.00 72.33 N ATOM 0 H ASN A 452 5.256 4.305 -4.231 1.00 51.00 H new ATOM 0 HA ASN A 452 7.415 6.089 -4.065 1.00 42.33 H new ATOM 0 HB2 ASN A 452 5.284 6.516 -5.295 1.00 41.54 H new ATOM 0 HB3 ASN A 452 4.408 6.579 -3.778 1.00 41.54 H new ATOM 0 HD21 ASN A 452 4.768 10.105 -3.882 1.00 72.33 H new ATOM 0 HD22 ASN A 452 3.683 8.712 -3.935 1.00 72.33 H new ATOM 2220 N THR A 453 5.601 5.759 -1.295 1.00 51.43 N ATOM 2221 CA THR A 453 5.524 6.042 0.128 1.00 63.12 C ATOM 2222 C THR A 453 6.745 5.453 0.839 1.00 63.34 C ATOM 2223 O THR A 453 7.526 6.223 1.373 1.00 32.03 O ATOM 2224 CB THR A 453 4.194 5.543 0.777 1.00 34.30 C ATOM 2225 OG1 THR A 453 4.057 4.161 0.544 1.00 4.42 O ATOM 2226 CG2 THR A 453 2.945 6.276 0.230 1.00 55.33 C ATOM 0 H THR A 453 4.857 5.151 -1.636 1.00 51.43 H new ATOM 0 HA THR A 453 5.525 7.125 0.248 1.00 63.12 H new ATOM 0 HB THR A 453 4.254 5.758 1.844 1.00 34.30 H new ATOM 0 HG1 THR A 453 3.624 3.740 1.316 1.00 4.42 H new ATOM 0 HG21 THR A 453 2.052 5.886 0.718 1.00 55.33 H new ATOM 0 HG22 THR A 453 3.032 7.344 0.431 1.00 55.33 H new ATOM 0 HG23 THR A 453 2.870 6.115 -0.845 1.00 55.33 H new ATOM 2234 N SER A 454 6.952 4.108 0.754 1.00 42.11 N ATOM 2235 CA SER A 454 8.088 3.406 1.414 1.00 75.44 C ATOM 2236 C SER A 454 9.450 4.038 1.076 1.00 32.11 C ATOM 2237 O SER A 454 10.371 3.985 1.897 1.00 60.41 O ATOM 2238 CB SER A 454 8.105 1.903 1.049 1.00 24.10 C ATOM 2239 OG SER A 454 8.246 1.705 -0.347 1.00 51.03 O ATOM 0 H SER A 454 6.339 3.485 0.229 1.00 42.11 H new ATOM 0 HA SER A 454 7.929 3.513 2.487 1.00 75.44 H new ATOM 0 HB2 SER A 454 8.925 1.411 1.571 1.00 24.10 H new ATOM 0 HB3 SER A 454 7.182 1.435 1.392 1.00 24.10 H new ATOM 0 HG SER A 454 7.364 1.739 -0.773 1.00 51.03 H new ATOM 2245 N SER A 455 9.560 4.625 -0.138 1.00 4.24 N ATOM 2246 CA SER A 455 10.736 5.407 -0.547 1.00 21.12 C ATOM 2247 C SER A 455 10.938 6.623 0.390 1.00 53.10 C ATOM 2248 O SER A 455 11.913 6.665 1.159 1.00 54.31 O ATOM 2249 CB SER A 455 10.592 5.854 -2.019 1.00 33.41 C ATOM 2250 OG SER A 455 11.732 6.564 -2.464 1.00 73.24 O ATOM 0 H SER A 455 8.836 4.567 -0.854 1.00 4.24 H new ATOM 0 HA SER A 455 11.622 4.777 -0.466 1.00 21.12 H new ATOM 0 HB2 SER A 455 10.438 4.980 -2.651 1.00 33.41 H new ATOM 0 HB3 SER A 455 9.708 6.483 -2.124 1.00 33.41 H new ATOM 0 HG SER A 455 11.607 6.830 -3.399 1.00 73.24 H new ATOM 2256 N TYR A 456 9.983 7.584 0.379 1.00 53.23 N ATOM 2257 CA TYR A 456 10.110 8.811 1.199 1.00 74.01 C ATOM 2258 C TYR A 456 9.934 8.537 2.714 1.00 64.21 C ATOM 2259 O TYR A 456 10.331 9.366 3.529 1.00 54.54 O ATOM 2260 CB TYR A 456 9.222 9.994 0.686 1.00 50.15 C ATOM 2261 CG TYR A 456 7.688 9.804 0.608 1.00 24.33 C ATOM 2262 CD1 TYR A 456 6.909 9.593 1.751 1.00 13.31 C ATOM 2263 CD2 TYR A 456 7.007 9.930 -0.612 1.00 12.53 C ATOM 2264 CE1 TYR A 456 5.531 9.512 1.679 1.00 23.11 C ATOM 2265 CE2 TYR A 456 5.630 9.836 -0.685 1.00 74.40 C ATOM 2266 CZ TYR A 456 4.898 9.631 0.463 1.00 45.44 C ATOM 2267 OH TYR A 456 3.522 9.561 0.393 1.00 20.21 O ATOM 0 H TYR A 456 9.130 7.535 -0.179 1.00 53.23 H new ATOM 0 HA TYR A 456 11.139 9.146 1.070 1.00 74.01 H new ATOM 0 HB2 TYR A 456 9.415 10.853 1.329 1.00 50.15 H new ATOM 0 HB3 TYR A 456 9.572 10.259 -0.312 1.00 50.15 H new ATOM 0 HD1 TYR A 456 7.395 9.491 2.710 1.00 13.31 H new ATOM 0 HD2 TYR A 456 7.572 10.105 -1.516 1.00 12.53 H new ATOM 0 HE1 TYR A 456 4.951 9.355 2.577 1.00 23.11 H new ATOM 0 HE2 TYR A 456 5.130 9.923 -1.638 1.00 74.40 H new ATOM 0 HH TYR A 456 3.236 9.665 -0.539 1.00 20.21 H new ATOM 2277 N LEU A 457 9.332 7.380 3.071 1.00 11.13 N ATOM 2278 CA LEU A 457 9.129 6.952 4.474 1.00 62.44 C ATOM 2279 C LEU A 457 10.432 6.407 5.084 1.00 1.24 C ATOM 2280 O LEU A 457 10.697 6.645 6.263 1.00 60.22 O ATOM 2281 CB LEU A 457 8.017 5.863 4.601 1.00 41.43 C ATOM 2282 CG LEU A 457 6.547 6.301 4.309 1.00 33.04 C ATOM 2283 CD1 LEU A 457 5.567 5.118 4.489 1.00 44.20 C ATOM 2284 CD2 LEU A 457 6.146 7.502 5.173 1.00 14.42 C ATOM 0 H LEU A 457 8.971 6.713 2.389 1.00 11.13 H new ATOM 0 HA LEU A 457 8.812 7.840 5.021 1.00 62.44 H new ATOM 0 HB2 LEU A 457 8.266 5.046 3.924 1.00 41.43 H new ATOM 0 HB3 LEU A 457 8.054 5.460 5.613 1.00 41.43 H new ATOM 0 HG LEU A 457 6.491 6.616 3.267 1.00 33.04 H new ATOM 0 HD11 LEU A 457 4.551 5.452 4.279 1.00 44.20 H new ATOM 0 HD12 LEU A 457 5.835 4.316 3.801 1.00 44.20 H new ATOM 0 HD13 LEU A 457 5.624 4.751 5.514 1.00 44.20 H new ATOM 0 HD21 LEU A 457 5.118 7.785 4.948 1.00 14.42 H new ATOM 0 HD22 LEU A 457 6.227 7.235 6.227 1.00 14.42 H new ATOM 0 HD23 LEU A 457 6.808 8.341 4.959 1.00 14.42 H new ATOM 2296 N THR A 458 11.228 5.649 4.292 1.00 2.21 N ATOM 2297 CA THR A 458 12.516 5.103 4.778 1.00 53.22 C ATOM 2298 C THR A 458 13.550 6.235 4.900 1.00 74.12 C ATOM 2299 O THR A 458 14.387 6.218 5.807 1.00 61.40 O ATOM 2300 CB THR A 458 13.071 3.914 3.903 1.00 1.54 C ATOM 2301 OG1 THR A 458 14.164 3.281 4.583 1.00 41.22 O ATOM 2302 CG2 THR A 458 13.547 4.348 2.503 1.00 53.32 C ATOM 0 H THR A 458 11.004 5.405 3.327 1.00 2.21 H new ATOM 0 HA THR A 458 12.327 4.674 5.762 1.00 53.22 H new ATOM 0 HB THR A 458 12.238 3.225 3.763 1.00 1.54 H new ATOM 0 HG1 THR A 458 14.505 2.542 4.037 1.00 41.22 H new ATOM 0 HG21 THR A 458 13.915 3.479 1.958 1.00 53.32 H new ATOM 0 HG22 THR A 458 12.715 4.792 1.957 1.00 53.32 H new ATOM 0 HG23 THR A 458 14.348 5.080 2.602 1.00 53.32 H new ATOM 2310 N GLN A 459 13.448 7.235 3.994 1.00 74.23 N ATOM 2311 CA GLN A 459 14.242 8.477 4.082 1.00 45.31 C ATOM 2312 C GLN A 459 13.842 9.269 5.347 1.00 13.21 C ATOM 2313 O GLN A 459 14.707 9.733 6.103 1.00 61.15 O ATOM 2314 CB GLN A 459 14.026 9.352 2.822 1.00 52.54 C ATOM 2315 CG GLN A 459 14.375 8.674 1.483 1.00 73.30 C ATOM 2316 CD GLN A 459 14.115 9.554 0.244 1.00 54.54 C ATOM 2317 OE1 GLN A 459 13.120 10.441 0.300 1.00 3.13 O flip ATOM 2318 NE2 GLN A 459 14.802 9.431 -0.768 1.00 42.51 N flip ATOM 0 H GLN A 459 12.820 7.203 3.191 1.00 74.23 H new ATOM 0 HA GLN A 459 15.297 8.211 4.143 1.00 45.31 H new ATOM 0 HB2 GLN A 459 12.982 9.664 2.791 1.00 52.54 H new ATOM 0 HB3 GLN A 459 14.627 10.256 2.920 1.00 52.54 H new ATOM 0 HG2 GLN A 459 15.426 8.387 1.497 1.00 73.30 H new ATOM 0 HG3 GLN A 459 13.795 7.756 1.391 1.00 73.30 H new ATOM 0 HE21 GLN A 459 15.558 8.747 -0.791 1.00 42.51 H new ATOM 0 HE22 GLN A 459 14.616 10.013 -1.585 1.00 42.51 H new ATOM 2327 N GLN A 460 12.504 9.398 5.548 1.00 3.14 N ATOM 2328 CA GLN A 460 11.892 10.090 6.704 1.00 33.50 C ATOM 2329 C GLN A 460 12.354 9.463 8.025 1.00 41.44 C ATOM 2330 O GLN A 460 12.704 10.178 8.959 1.00 31.24 O ATOM 2331 CB GLN A 460 10.336 10.032 6.603 1.00 55.13 C ATOM 2332 CG GLN A 460 9.560 10.662 7.786 1.00 42.10 C ATOM 2333 CD GLN A 460 9.725 12.179 7.894 1.00 4.42 C ATOM 2334 OE1 GLN A 460 8.951 12.939 7.306 1.00 42.22 O ATOM 2335 NE2 GLN A 460 10.717 12.633 8.652 1.00 34.25 N ATOM 0 H GLN A 460 11.814 9.017 4.900 1.00 3.14 H new ATOM 0 HA GLN A 460 12.214 11.131 6.686 1.00 33.50 H new ATOM 0 HB2 GLN A 460 10.031 10.534 5.685 1.00 55.13 H new ATOM 0 HB3 GLN A 460 10.035 8.988 6.510 1.00 55.13 H new ATOM 0 HG2 GLN A 460 8.501 10.428 7.680 1.00 42.10 H new ATOM 0 HG3 GLN A 460 9.896 10.202 8.715 1.00 42.10 H new ATOM 0 HE21 GLN A 460 11.339 11.977 9.124 1.00 34.25 H new ATOM 0 HE22 GLN A 460 10.857 13.637 8.762 1.00 34.25 H new ATOM 2344 N PHE A 461 12.364 8.117 8.060 1.00 54.12 N ATOM 2345 CA PHE A 461 12.743 7.334 9.244 1.00 44.43 C ATOM 2346 C PHE A 461 14.202 7.585 9.615 1.00 35.03 C ATOM 2347 O PHE A 461 14.488 7.967 10.744 1.00 32.21 O ATOM 2348 CB PHE A 461 12.524 5.818 8.990 1.00 55.52 C ATOM 2349 CG PHE A 461 12.974 4.912 10.142 1.00 63.31 C ATOM 2350 CD1 PHE A 461 12.370 4.997 11.398 1.00 54.34 C ATOM 2351 CD2 PHE A 461 13.998 3.977 9.972 1.00 30.51 C ATOM 2352 CE1 PHE A 461 12.779 4.185 12.438 1.00 10.32 C ATOM 2353 CE2 PHE A 461 14.403 3.167 11.015 1.00 23.00 C ATOM 2354 CZ PHE A 461 13.792 3.270 12.246 1.00 73.14 C ATOM 0 H PHE A 461 12.107 7.541 7.259 1.00 54.12 H new ATOM 0 HA PHE A 461 12.109 7.652 10.071 1.00 44.43 H new ATOM 0 HB2 PHE A 461 11.465 5.643 8.799 1.00 55.52 H new ATOM 0 HB3 PHE A 461 13.063 5.532 8.087 1.00 55.52 H new ATOM 0 HD1 PHE A 461 11.572 5.707 11.559 1.00 54.34 H new ATOM 0 HD2 PHE A 461 14.480 3.886 9.010 1.00 30.51 H new ATOM 0 HE1 PHE A 461 12.304 4.267 13.404 1.00 10.32 H new ATOM 0 HE2 PHE A 461 15.199 2.453 10.866 1.00 23.00 H new ATOM 0 HZ PHE A 461 14.107 2.634 13.060 1.00 73.14 H new ATOM 2364 N THR A 462 15.106 7.363 8.640 1.00 45.14 N ATOM 2365 CA THR A 462 16.558 7.461 8.852 1.00 52.01 C ATOM 2366 C THR A 462 16.970 8.874 9.311 1.00 73.24 C ATOM 2367 O THR A 462 17.837 9.007 10.159 1.00 60.55 O ATOM 2368 CB THR A 462 17.340 7.055 7.559 1.00 2.42 C ATOM 2369 OG1 THR A 462 16.895 5.757 7.136 1.00 43.43 O ATOM 2370 CG2 THR A 462 18.868 7.009 7.778 1.00 65.24 C ATOM 0 H THR A 462 14.847 7.111 7.686 1.00 45.14 H new ATOM 0 HA THR A 462 16.818 6.763 9.648 1.00 52.01 H new ATOM 0 HB THR A 462 17.138 7.813 6.802 1.00 2.42 H new ATOM 0 HG1 THR A 462 16.036 5.841 6.673 1.00 43.43 H new ATOM 0 HG21 THR A 462 19.360 6.722 6.849 1.00 65.24 H new ATOM 0 HG22 THR A 462 19.221 7.993 8.087 1.00 65.24 H new ATOM 0 HG23 THR A 462 19.103 6.280 8.553 1.00 65.24 H new ATOM 2378 N ALA A 463 16.312 9.908 8.762 1.00 55.54 N ATOM 2379 CA ALA A 463 16.587 11.318 9.113 1.00 61.14 C ATOM 2380 C ALA A 463 16.038 11.663 10.510 1.00 41.45 C ATOM 2381 O ALA A 463 16.766 12.191 11.366 1.00 23.11 O ATOM 2382 CB ALA A 463 15.993 12.251 8.050 1.00 33.24 C ATOM 0 H ALA A 463 15.576 9.795 8.065 1.00 55.54 H new ATOM 0 HA ALA A 463 17.668 11.459 9.140 1.00 61.14 H new ATOM 0 HB1 ALA A 463 16.201 13.287 8.318 1.00 33.24 H new ATOM 0 HB2 ALA A 463 16.440 12.030 7.081 1.00 33.24 H new ATOM 0 HB3 ALA A 463 14.915 12.100 7.995 1.00 33.24 H new ATOM 2388 N MET A 464 14.746 11.328 10.736 1.00 10.52 N ATOM 2389 CA MET A 464 14.033 11.632 12.002 1.00 43.22 C ATOM 2390 C MET A 464 14.705 10.927 13.195 1.00 73.34 C ATOM 2391 O MET A 464 14.811 11.488 14.282 1.00 40.14 O ATOM 2392 CB MET A 464 12.544 11.190 11.890 1.00 60.11 C ATOM 2393 CG MET A 464 11.682 11.461 13.131 1.00 74.40 C ATOM 2394 SD MET A 464 10.017 10.774 12.988 1.00 31.41 S ATOM 2395 CE MET A 464 9.293 11.767 11.683 1.00 1.42 C ATOM 0 H MET A 464 14.169 10.841 10.050 1.00 10.52 H new ATOM 0 HA MET A 464 14.078 12.708 12.173 1.00 43.22 H new ATOM 0 HB2 MET A 464 12.094 11.700 11.038 1.00 60.11 H new ATOM 0 HB3 MET A 464 12.515 10.122 11.674 1.00 60.11 H new ATOM 0 HG2 MET A 464 12.171 11.037 14.008 1.00 74.40 H new ATOM 0 HG3 MET A 464 11.614 12.537 13.293 1.00 74.40 H new ATOM 0 HE1 MET A 464 8.211 11.803 11.811 1.00 1.42 H new ATOM 0 HE2 MET A 464 9.698 12.778 11.728 1.00 1.42 H new ATOM 0 HE3 MET A 464 9.529 11.324 10.715 1.00 1.42 H new ATOM 2405 N ASN A 465 15.212 9.715 12.933 1.00 35.20 N ATOM 2406 CA ASN A 465 15.884 8.879 13.937 1.00 34.22 C ATOM 2407 C ASN A 465 17.348 9.352 14.092 1.00 44.53 C ATOM 2408 O ASN A 465 17.729 9.842 15.157 1.00 23.41 O ATOM 2409 CB ASN A 465 15.786 7.380 13.518 1.00 41.53 C ATOM 2410 CG ASN A 465 16.312 6.380 14.552 1.00 53.04 C ATOM 2411 OD1 ASN A 465 17.197 6.667 15.350 1.00 31.42 O ATOM 2412 ND2 ASN A 465 15.802 5.168 14.505 1.00 33.20 N ATOM 0 H ASN A 465 15.167 9.283 12.010 1.00 35.20 H new ATOM 0 HA ASN A 465 15.398 8.977 14.908 1.00 34.22 H new ATOM 0 HB2 ASN A 465 14.743 7.145 13.307 1.00 41.53 H new ATOM 0 HB3 ASN A 465 16.338 7.242 12.588 1.00 41.53 H new ATOM 0 HD21 ASN A 465 16.143 4.446 15.140 1.00 33.20 H new ATOM 0 HD22 ASN A 465 15.066 4.950 13.833 1.00 33.20 H new ATOM 2419 N LYS A 466 18.163 9.185 13.023 1.00 54.20 N ATOM 2420 CA LYS A 466 19.573 9.655 12.987 1.00 45.32 C ATOM 2421 C LYS A 466 19.839 10.583 11.764 1.00 71.55 C ATOM 2422 O LYS A 466 20.322 10.122 10.723 1.00 40.42 O ATOM 2423 CB LYS A 466 20.580 8.445 13.031 1.00 64.22 C ATOM 2424 CG LYS A 466 20.395 7.326 11.954 1.00 15.42 C ATOM 2425 CD LYS A 466 19.383 6.229 12.363 1.00 60.44 C ATOM 2426 CE LYS A 466 19.863 5.415 13.583 1.00 15.52 C ATOM 2427 NZ LYS A 466 18.900 4.345 13.947 1.00 22.34 N ATOM 0 H LYS A 466 17.865 8.723 12.164 1.00 54.20 H new ATOM 0 HA LYS A 466 19.742 10.253 13.883 1.00 45.32 H new ATOM 0 HB2 LYS A 466 21.591 8.842 12.936 1.00 64.22 H new ATOM 0 HB3 LYS A 466 20.510 7.982 14.015 1.00 64.22 H new ATOM 0 HG2 LYS A 466 20.064 7.783 11.021 1.00 15.42 H new ATOM 0 HG3 LYS A 466 21.361 6.861 11.756 1.00 15.42 H new ATOM 0 HD2 LYS A 466 18.423 6.691 12.592 1.00 60.44 H new ATOM 0 HD3 LYS A 466 19.220 5.556 11.521 1.00 60.44 H new ATOM 0 HE2 LYS A 466 20.834 4.971 13.364 1.00 15.52 H new ATOM 0 HE3 LYS A 466 20.002 6.083 14.433 1.00 15.52 H new ATOM 0 HZ1 LYS A 466 18.707 4.385 14.968 1.00 22.34 H new ATOM 0 HZ2 LYS A 466 18.013 4.482 13.421 1.00 22.34 H new ATOM 0 HZ3 LYS A 466 19.305 3.417 13.707 1.00 22.34 H new ATOM 2441 N SER A 467 19.443 11.872 11.856 1.00 20.54 N ATOM 2442 CA SER A 467 19.848 12.907 10.877 1.00 61.12 C ATOM 2443 C SER A 467 21.399 12.946 10.702 1.00 30.33 C ATOM 2444 O SER A 467 22.101 13.436 11.614 1.00 14.42 O ATOM 2445 CB SER A 467 19.277 14.292 11.302 1.00 51.13 C ATOM 2446 OG SER A 467 19.558 14.566 12.667 1.00 41.12 O ATOM 2447 OXT SER A 467 21.905 12.471 9.656 1.00 37.61 O ATOM 0 H SER A 467 18.841 12.222 12.601 1.00 20.54 H new ATOM 0 HA SER A 467 19.430 12.652 9.903 1.00 61.12 H new ATOM 0 HB2 SER A 467 19.707 15.073 10.675 1.00 51.13 H new ATOM 0 HB3 SER A 467 18.199 14.310 11.139 1.00 51.13 H new ATOM 0 HG SER A 467 20.477 14.296 12.872 1.00 41.12 H new