USER MOD reduce.3.24.130724 H: found=0, std=0, add=934, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 935 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 44 LYS NZ :NH3+ -172:sc= 0.635 (180deg=0) USER MOD Set 1.2: A 117 THR OG1 : rot 78:sc= 1.66 USER MOD Set 2.1: A 109 SER OG : rot 180:sc= 0.00238 USER MOD Set 2.2: A 112 GLN :FLIP amide:sc= -1.75 F(o=-3.5,f=-1.7) USER MOD Set 3.1: A 97 THR OG1 : rot 180:sc= 1.05 USER MOD Set 3.2: A 100 SER OG : rot 93:sc= 1.25 USER MOD Set 4.1: A 90 GLN : amide:sc= -4.62! C(o=-15!,f=-21!) USER MOD Set 4.2: A 95 HIS :FLIP no HE2:sc= -10.8! C(o=-17!,f=-15!) USER MOD Single : A 7 HIS : no HD1:sc= -0.0575 X(o=-0.058,f=-0.23) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=-0.026) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 SER OG : rot 120:sc= -1.08 USER MOD Single : A 22 LYS NZ :NH3+ -155:sc= -6.52! (180deg=-8.06!) USER MOD Single : A 26 THR OG1 : rot -120:sc= -4.57! USER MOD Single : A 30 ASN :FLIP amide:sc= 0.535 F(o=-5!,f=0.53) USER MOD Single : A 31 GLN : amide:sc= -0.0258 X(o=-0.026,f=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 73:sc= -1.31! USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -5.4! C(o=-5.4!,f=-14!) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl -152:sc= -6.6! (180deg=-8.37!) USER MOD Single : A 43 THR OG1 : rot 141:sc= -1.52! USER MOD Single : A 45 MET CE :methyl 141:sc= -0.885 (180deg=-2.91!) USER MOD Single : A 46 TYR OH : rot 155:sc= 0.568 USER MOD Single : A 47 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.152) USER MOD Single : A 50 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 62 TYR OH : rot 180:sc= -1.14! USER MOD Single : A 63 THR OG1 : rot -160:sc= -3.44 USER MOD Single : A 66 MET CE :methyl -145:sc= -1.09 (180deg=-2.17!) USER MOD Single : A 68 SER OG : rot -49:sc= 1.06 USER MOD Single : A 70 CYS SG : rot 60:sc= 0.131 USER MOD Single : A 72 TYR OH : rot -120:sc= -2.13 USER MOD Single : A 74 HIS : no HE2:sc= -2.3 K(o=-2.3,f=-13!) USER MOD Single : A 76 SER OG : rot 10:sc= 0.0591 USER MOD Single : A 77 HIS :FLIP no HD1:sc= 0.371 F(o=-3!,f=0.37) USER MOD Single : A 78 ASN : amide:sc= -5.62! C(o=-5.6!,f=-13!) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot 180:sc= -0.837 USER MOD Single : A 106 ASN : amide:sc= -0.286 X(o=-0.29,f=0) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 THR OG1 : rot 86:sc= -5.78! USER MOD Single : A 120 TYR OH : rot -78:sc= -0.804! USER MOD Single : A 121 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 27 N CYS A 3 -4.452 14.437 2.097 1.00 0.00 N ATOM 28 CA CYS A 3 -3.131 15.037 2.219 1.00 0.00 C ATOM 29 C CYS A 3 -2.226 14.539 1.099 1.00 0.00 C ATOM 30 O CYS A 3 -2.636 13.722 0.275 1.00 0.00 O ATOM 31 CB CYS A 3 -2.470 14.671 3.565 1.00 0.00 C ATOM 32 SG CYS A 3 -3.596 14.258 4.953 1.00 0.00 S ATOM 0 HA CYS A 3 -3.258 16.118 2.160 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -1.809 13.820 3.399 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -1.842 15.507 3.874 1.00 0.00 H new ATOM 37 N VAL A 4 -0.980 14.997 1.107 1.00 0.00 N ATOM 38 CA VAL A 4 -0.001 14.557 0.123 1.00 0.00 C ATOM 39 C VAL A 4 0.944 13.544 0.773 1.00 0.00 C ATOM 40 O VAL A 4 1.004 13.450 1.999 1.00 0.00 O ATOM 41 CB VAL A 4 0.804 15.739 -0.474 1.00 0.00 C ATOM 42 CG1 VAL A 4 -0.131 16.848 -0.932 1.00 0.00 C ATOM 43 CG2 VAL A 4 1.829 16.276 0.515 1.00 0.00 C ATOM 0 H VAL A 4 -0.625 15.672 1.784 1.00 0.00 H new ATOM 0 HA VAL A 4 -0.538 14.091 -0.703 1.00 0.00 H new ATOM 0 HB VAL A 4 1.348 15.362 -1.340 1.00 0.00 H new ATOM 0 HG11 VAL A 4 0.454 17.668 -1.348 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -0.808 16.462 -1.694 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -0.710 17.210 -0.082 1.00 0.00 H new ATOM 0 HG21 VAL A 4 2.374 17.104 0.061 1.00 0.00 H new ATOM 0 HG22 VAL A 4 1.320 16.626 1.413 1.00 0.00 H new ATOM 0 HG23 VAL A 4 2.529 15.483 0.780 1.00 0.00 H new ATOM 53 N PRO A 5 1.679 12.756 -0.031 1.00 0.00 N ATOM 54 CA PRO A 5 2.604 11.735 0.477 1.00 0.00 C ATOM 55 C PRO A 5 3.371 12.179 1.725 1.00 0.00 C ATOM 56 O PRO A 5 4.249 13.040 1.652 1.00 0.00 O ATOM 57 CB PRO A 5 3.551 11.555 -0.703 1.00 0.00 C ATOM 58 CG PRO A 5 2.675 11.739 -1.893 1.00 0.00 C ATOM 59 CD PRO A 5 1.652 12.781 -1.504 1.00 0.00 C ATOM 0 HA PRO A 5 2.089 10.829 0.796 1.00 0.00 H new ATOM 0 HB2 PRO A 5 4.358 12.287 -0.683 1.00 0.00 H new ATOM 0 HB3 PRO A 5 4.015 10.569 -0.697 1.00 0.00 H new ATOM 0 HG2 PRO A 5 3.254 12.065 -2.757 1.00 0.00 H new ATOM 0 HG3 PRO A 5 2.191 10.802 -2.169 1.00 0.00 H new ATOM 0 HD2 PRO A 5 1.913 13.765 -1.894 1.00 0.00 H new ATOM 0 HD3 PRO A 5 0.663 12.537 -1.892 1.00 0.00 H new ATOM 67 N PRO A 6 3.041 11.595 2.896 1.00 0.00 N ATOM 68 CA PRO A 6 3.682 11.923 4.163 1.00 0.00 C ATOM 69 C PRO A 6 4.933 11.111 4.439 1.00 0.00 C ATOM 70 O PRO A 6 5.009 9.936 4.075 1.00 0.00 O ATOM 71 CB PRO A 6 2.598 11.615 5.205 1.00 0.00 C ATOM 72 CG PRO A 6 1.522 10.846 4.491 1.00 0.00 C ATOM 73 CD PRO A 6 2.005 10.579 3.086 1.00 0.00 C ATOM 0 HA PRO A 6 4.028 12.957 4.172 1.00 0.00 H new ATOM 0 HB2 PRO A 6 3.008 11.032 6.030 1.00 0.00 H new ATOM 0 HB3 PRO A 6 2.198 12.535 5.632 1.00 0.00 H new ATOM 0 HG2 PRO A 6 1.314 9.909 5.008 1.00 0.00 H new ATOM 0 HG3 PRO A 6 0.592 11.415 4.474 1.00 0.00 H new ATOM 0 HD2 PRO A 6 2.405 9.570 2.981 1.00 0.00 H new ATOM 0 HD3 PRO A 6 1.201 10.681 2.357 1.00 0.00 H new ATOM 81 N HIS A 7 5.942 11.760 5.025 1.00 0.00 N ATOM 82 CA HIS A 7 7.241 11.151 5.292 1.00 0.00 C ATOM 83 C HIS A 7 7.195 9.634 5.479 1.00 0.00 C ATOM 84 O HIS A 7 6.499 9.111 6.346 1.00 0.00 O ATOM 85 CB HIS A 7 7.853 11.808 6.534 1.00 0.00 C ATOM 86 CG HIS A 7 8.209 13.248 6.326 1.00 0.00 C ATOM 87 ND1 HIS A 7 8.526 13.770 5.090 1.00 0.00 N ATOM 88 CD2 HIS A 7 8.294 14.281 7.200 1.00 0.00 C ATOM 89 CE1 HIS A 7 8.791 15.059 5.212 1.00 0.00 C ATOM 90 NE2 HIS A 7 8.655 15.394 6.482 1.00 0.00 N ATOM 0 H HIS A 7 5.877 12.731 5.329 1.00 0.00 H new ATOM 0 HA HIS A 7 7.855 11.323 4.408 1.00 0.00 H new ATOM 0 HB2 HIS A 7 7.149 11.731 7.362 1.00 0.00 H new ATOM 0 HB3 HIS A 7 8.748 11.258 6.824 1.00 0.00 H new ATOM 0 HD2 HIS A 7 8.112 14.237 8.264 1.00 0.00 H new ATOM 0 HE1 HIS A 7 9.071 15.725 4.409 1.00 0.00 H new ATOM 0 HE2 HIS A 7 8.795 16.328 6.867 1.00 0.00 H new ATOM 99 N PRO A 8 7.999 8.916 4.661 1.00 0.00 N ATOM 100 CA PRO A 8 8.119 7.455 4.715 1.00 0.00 C ATOM 101 C PRO A 8 8.771 7.025 6.006 1.00 0.00 C ATOM 102 O PRO A 8 8.701 5.864 6.404 1.00 0.00 O ATOM 103 CB PRO A 8 9.018 7.132 3.528 1.00 0.00 C ATOM 104 CG PRO A 8 9.847 8.347 3.413 1.00 0.00 C ATOM 105 CD PRO A 8 8.904 9.482 3.651 1.00 0.00 C ATOM 0 HA PRO A 8 7.157 6.944 4.674 1.00 0.00 H new ATOM 0 HB2 PRO A 8 9.623 6.244 3.708 1.00 0.00 H new ATOM 0 HB3 PRO A 8 8.442 6.947 2.621 1.00 0.00 H new ATOM 0 HG2 PRO A 8 10.655 8.345 4.145 1.00 0.00 H new ATOM 0 HG3 PRO A 8 10.309 8.418 2.428 1.00 0.00 H new ATOM 0 HD2 PRO A 8 9.418 10.371 4.016 1.00 0.00 H new ATOM 0 HD3 PRO A 8 8.374 9.770 2.743 1.00 0.00 H new ATOM 113 N GLN A 9 9.363 7.995 6.686 1.00 0.00 N ATOM 114 CA GLN A 9 9.973 7.753 7.964 1.00 0.00 C ATOM 115 C GLN A 9 8.876 7.530 8.964 1.00 0.00 C ATOM 116 O GLN A 9 8.998 6.712 9.878 1.00 0.00 O ATOM 117 CB GLN A 9 10.805 8.958 8.398 1.00 0.00 C ATOM 118 CG GLN A 9 10.035 10.261 8.405 1.00 0.00 C ATOM 119 CD GLN A 9 10.167 11.017 9.710 1.00 0.00 C ATOM 120 OE1 GLN A 9 9.786 10.521 10.769 1.00 0.00 O ATOM 121 NE2 GLN A 9 10.707 12.229 9.638 1.00 0.00 N ATOM 0 H GLN A 9 9.429 8.960 6.363 1.00 0.00 H new ATOM 0 HA GLN A 9 10.629 6.885 7.899 1.00 0.00 H new ATOM 0 HB2 GLN A 9 11.199 8.774 9.397 1.00 0.00 H new ATOM 0 HB3 GLN A 9 11.661 9.056 7.730 1.00 0.00 H new ATOM 0 HG2 GLN A 9 10.389 10.891 7.589 1.00 0.00 H new ATOM 0 HG3 GLN A 9 8.982 10.056 8.215 1.00 0.00 H new ATOM 0 HE21 GLN A 9 11.009 12.600 8.737 1.00 0.00 H new ATOM 0 HE22 GLN A 9 10.820 12.788 10.484 1.00 0.00 H new ATOM 130 N THR A 10 7.753 8.212 8.740 1.00 0.00 N ATOM 131 CA THR A 10 6.573 8.076 9.541 1.00 0.00 C ATOM 132 C THR A 10 5.659 7.017 8.915 1.00 0.00 C ATOM 133 O THR A 10 5.073 6.202 9.622 1.00 0.00 O ATOM 134 CB THR A 10 5.894 9.463 9.643 1.00 0.00 C ATOM 135 OG1 THR A 10 6.320 10.138 10.814 1.00 0.00 O ATOM 136 CG2 THR A 10 4.375 9.477 9.620 1.00 0.00 C ATOM 0 H THR A 10 7.653 8.883 7.978 1.00 0.00 H new ATOM 0 HA THR A 10 6.810 7.740 10.551 1.00 0.00 H new ATOM 0 HB THR A 10 6.213 9.966 8.730 1.00 0.00 H new ATOM 0 HG1 THR A 10 5.884 11.014 10.864 1.00 0.00 H new ATOM 0 HG21 THR A 10 4.019 10.504 9.698 1.00 0.00 H new ATOM 0 HG22 THR A 10 4.021 9.040 8.686 1.00 0.00 H new ATOM 0 HG23 THR A 10 3.993 8.896 10.460 1.00 0.00 H new ATOM 144 N ALA A 11 5.524 7.034 7.575 1.00 0.00 N ATOM 145 CA ALA A 11 4.677 6.085 6.852 1.00 0.00 C ATOM 146 C ALA A 11 5.151 4.644 6.991 1.00 0.00 C ATOM 147 O ALA A 11 4.336 3.725 7.048 1.00 0.00 O ATOM 148 CB ALA A 11 4.643 6.444 5.381 1.00 0.00 C ATOM 0 H ALA A 11 5.999 7.705 6.972 1.00 0.00 H new ATOM 0 HA ALA A 11 3.683 6.154 7.294 1.00 0.00 H new ATOM 0 HB1 ALA A 11 4.011 5.734 4.848 1.00 0.00 H new ATOM 0 HB2 ALA A 11 4.240 7.450 5.261 1.00 0.00 H new ATOM 0 HB3 ALA A 11 5.653 6.407 4.974 1.00 0.00 H new ATOM 154 N PHE A 12 6.463 4.437 7.022 1.00 0.00 N ATOM 155 CA PHE A 12 7.004 3.085 7.130 1.00 0.00 C ATOM 156 C PHE A 12 6.726 2.495 8.497 1.00 0.00 C ATOM 157 O PHE A 12 6.293 1.349 8.620 1.00 0.00 O ATOM 158 CB PHE A 12 8.500 3.057 6.840 1.00 0.00 C ATOM 159 CG PHE A 12 8.970 1.714 6.362 1.00 0.00 C ATOM 160 CD1 PHE A 12 8.765 0.583 7.129 1.00 0.00 C ATOM 161 CD2 PHE A 12 9.604 1.578 5.145 1.00 0.00 C ATOM 162 CE1 PHE A 12 9.184 -0.656 6.691 1.00 0.00 C ATOM 163 CE2 PHE A 12 10.032 0.338 4.703 1.00 0.00 C ATOM 164 CZ PHE A 12 9.819 -0.777 5.476 1.00 0.00 C ATOM 0 H PHE A 12 7.164 5.176 6.975 1.00 0.00 H new ATOM 0 HA PHE A 12 6.501 2.476 6.379 1.00 0.00 H new ATOM 0 HB2 PHE A 12 8.735 3.809 6.087 1.00 0.00 H new ATOM 0 HB3 PHE A 12 9.047 3.329 7.743 1.00 0.00 H new ATOM 0 HD1 PHE A 12 8.270 0.670 8.085 1.00 0.00 H new ATOM 0 HD2 PHE A 12 9.769 2.450 4.529 1.00 0.00 H new ATOM 0 HE1 PHE A 12 9.014 -1.531 7.301 1.00 0.00 H new ATOM 0 HE2 PHE A 12 10.533 0.247 3.751 1.00 0.00 H new ATOM 0 HZ PHE A 12 10.149 -1.746 5.131 1.00 0.00 H new ATOM 174 N CYS A 13 7.112 3.246 9.508 1.00 0.00 N ATOM 175 CA CYS A 13 7.031 2.781 10.873 1.00 0.00 C ATOM 176 C CYS A 13 5.641 2.871 11.440 1.00 0.00 C ATOM 177 O CYS A 13 5.214 1.978 12.171 1.00 0.00 O ATOM 178 CB CYS A 13 8.006 3.571 11.741 1.00 0.00 C ATOM 179 SG CYS A 13 9.560 2.696 12.087 1.00 0.00 S ATOM 0 H CYS A 13 7.488 4.189 9.406 1.00 0.00 H new ATOM 0 HA CYS A 13 7.300 1.725 10.872 1.00 0.00 H new ATOM 0 HB2 CYS A 13 8.235 4.515 11.246 1.00 0.00 H new ATOM 0 HB3 CYS A 13 7.520 3.815 12.686 1.00 0.00 H new ATOM 184 N ASN A 14 4.932 3.948 11.137 1.00 0.00 N ATOM 185 CA ASN A 14 3.603 4.085 11.658 1.00 0.00 C ATOM 186 C ASN A 14 2.696 3.014 11.080 1.00 0.00 C ATOM 187 O ASN A 14 1.792 2.551 11.766 1.00 0.00 O ATOM 188 CB ASN A 14 3.041 5.477 11.352 1.00 0.00 C ATOM 189 CG ASN A 14 2.010 5.922 12.370 1.00 0.00 C ATOM 190 OD1 ASN A 14 2.350 6.290 13.495 1.00 0.00 O ATOM 191 ND2 ASN A 14 0.740 5.893 11.981 1.00 0.00 N ATOM 0 H ASN A 14 5.254 4.716 10.547 1.00 0.00 H new ATOM 0 HA ASN A 14 3.646 3.962 12.740 1.00 0.00 H new ATOM 0 HB2 ASN A 14 3.858 6.198 11.328 1.00 0.00 H new ATOM 0 HB3 ASN A 14 2.590 5.473 10.360 1.00 0.00 H new ATOM 0 HD21 ASN A 14 0.003 6.183 12.624 1.00 0.00 H new ATOM 0 HD22 ASN A 14 0.502 5.581 11.039 1.00 0.00 H new ATOM 198 N SER A 15 2.907 2.621 9.816 1.00 0.00 N ATOM 199 CA SER A 15 2.091 1.630 9.172 1.00 0.00 C ATOM 200 C SER A 15 2.417 0.219 9.586 1.00 0.00 C ATOM 201 O SER A 15 3.512 -0.134 10.027 1.00 0.00 O ATOM 202 CB SER A 15 2.217 1.700 7.670 1.00 0.00 C ATOM 203 OG SER A 15 0.962 1.504 7.046 1.00 0.00 O ATOM 0 H SER A 15 3.653 2.992 9.227 1.00 0.00 H new ATOM 0 HA SER A 15 1.075 1.864 9.490 1.00 0.00 H new ATOM 0 HB2 SER A 15 2.624 2.669 7.380 1.00 0.00 H new ATOM 0 HB3 SER A 15 2.921 0.943 7.325 1.00 0.00 H new ATOM 0 HG SER A 15 0.734 2.295 6.514 1.00 0.00 H new ATOM 209 N ASP A 16 1.371 -0.515 9.481 1.00 0.00 N ATOM 210 CA ASP A 16 1.305 -1.917 9.851 1.00 0.00 C ATOM 211 C ASP A 16 1.342 -2.864 8.655 1.00 0.00 C ATOM 212 O ASP A 16 1.307 -4.082 8.817 1.00 0.00 O ATOM 213 CB ASP A 16 -0.016 -2.164 10.578 1.00 0.00 C ATOM 214 CG ASP A 16 -0.004 -1.709 12.020 1.00 0.00 C ATOM 215 OD1 ASP A 16 1.071 -1.759 12.647 1.00 0.00 O ATOM 216 OD2 ASP A 16 -1.077 -1.306 12.524 1.00 0.00 O ATOM 0 H ASP A 16 0.487 -0.157 9.120 1.00 0.00 H new ATOM 0 HA ASP A 16 2.179 -2.119 10.470 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -0.816 -1.646 10.048 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -0.248 -3.229 10.543 1.00 0.00 H new ATOM 221 N LEU A 17 1.631 -2.293 7.488 1.00 0.00 N ATOM 222 CA LEU A 17 1.927 -3.119 6.324 1.00 0.00 C ATOM 223 C LEU A 17 2.425 -2.309 5.139 1.00 0.00 C ATOM 224 O LEU A 17 1.800 -1.354 4.706 1.00 0.00 O ATOM 225 CB LEU A 17 0.822 -4.086 5.965 1.00 0.00 C ATOM 226 CG LEU A 17 1.176 -5.517 6.386 1.00 0.00 C ATOM 227 CD1 LEU A 17 0.107 -6.104 7.272 1.00 0.00 C ATOM 228 CD2 LEU A 17 1.424 -6.391 5.173 1.00 0.00 C ATOM 0 H LEU A 17 1.666 -1.287 7.326 1.00 0.00 H new ATOM 0 HA LEU A 17 2.761 -3.752 6.625 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -0.104 -3.780 6.451 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.643 -4.054 4.890 1.00 0.00 H new ATOM 0 HG LEU A 17 2.099 -5.478 6.965 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.386 -7.119 7.555 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.002 -5.494 8.169 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.841 -6.124 6.734 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.673 -7.401 5.497 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.526 -6.419 4.555 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.251 -5.982 4.593 1.00 0.00 H new ATOM 240 N VAL A 18 3.581 -2.712 4.623 1.00 0.00 N ATOM 241 CA VAL A 18 4.193 -2.039 3.496 1.00 0.00 C ATOM 242 C VAL A 18 4.692 -3.055 2.521 1.00 0.00 C ATOM 243 O VAL A 18 5.322 -4.031 2.921 1.00 0.00 O ATOM 244 CB VAL A 18 5.424 -1.202 3.912 1.00 0.00 C ATOM 245 CG1 VAL A 18 5.811 -0.234 2.802 1.00 0.00 C ATOM 246 CG2 VAL A 18 5.178 -0.460 5.216 1.00 0.00 C ATOM 0 H VAL A 18 4.112 -3.509 4.975 1.00 0.00 H new ATOM 0 HA VAL A 18 3.429 -1.388 3.070 1.00 0.00 H new ATOM 0 HB VAL A 18 6.254 -1.889 4.078 1.00 0.00 H new ATOM 0 HG11 VAL A 18 6.679 0.347 3.112 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.053 -0.794 1.899 1.00 0.00 H new ATOM 0 HG13 VAL A 18 4.978 0.439 2.599 1.00 0.00 H new ATOM 0 HG21 VAL A 18 6.064 0.118 5.478 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.328 0.212 5.097 1.00 0.00 H new ATOM 0 HG23 VAL A 18 4.965 -1.178 6.008 1.00 0.00 H new ATOM 256 N ILE A 19 4.327 -2.905 1.259 1.00 0.00 N ATOM 257 CA ILE A 19 4.663 -3.907 0.289 1.00 0.00 C ATOM 258 C ILE A 19 4.710 -3.366 -1.123 1.00 0.00 C ATOM 259 O ILE A 19 3.997 -2.428 -1.484 1.00 0.00 O ATOM 260 CB ILE A 19 3.585 -5.018 0.307 1.00 0.00 C ATOM 261 CG1 ILE A 19 2.203 -4.425 -0.004 1.00 0.00 C ATOM 262 CG2 ILE A 19 3.541 -5.722 1.651 1.00 0.00 C ATOM 263 CD1 ILE A 19 1.595 -4.931 -1.292 1.00 0.00 C ATOM 0 H ILE A 19 3.806 -2.107 0.895 1.00 0.00 H new ATOM 0 HA ILE A 19 5.651 -4.279 0.559 1.00 0.00 H new ATOM 0 HB ILE A 19 3.850 -5.748 -0.458 1.00 0.00 H new ATOM 0 HG12 ILE A 19 1.527 -4.653 0.820 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.287 -3.339 -0.055 1.00 0.00 H new ATOM 0 HG21 ILE A 19 2.774 -6.496 1.631 1.00 0.00 H new ATOM 0 HG22 ILE A 19 4.510 -6.176 1.856 1.00 0.00 H new ATOM 0 HG23 ILE A 19 3.307 -4.999 2.433 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.620 -4.466 -1.441 1.00 0.00 H new ATOM 0 HD12 ILE A 19 2.249 -4.679 -2.127 1.00 0.00 H new ATOM 0 HD13 ILE A 19 1.476 -6.013 -1.238 1.00 0.00 H new ATOM 275 N ARG A 20 5.520 -4.021 -1.918 1.00 0.00 N ATOM 276 CA ARG A 20 5.641 -3.690 -3.316 1.00 0.00 C ATOM 277 C ARG A 20 4.722 -4.625 -4.096 1.00 0.00 C ATOM 278 O ARG A 20 4.750 -5.845 -3.933 1.00 0.00 O ATOM 279 CB ARG A 20 7.087 -3.786 -3.806 1.00 0.00 C ATOM 280 CG ARG A 20 7.798 -5.046 -3.376 1.00 0.00 C ATOM 281 CD ARG A 20 8.225 -5.882 -4.566 1.00 0.00 C ATOM 282 NE ARG A 20 9.034 -5.119 -5.511 1.00 0.00 N ATOM 283 CZ ARG A 20 9.919 -5.663 -6.344 1.00 0.00 C ATOM 284 NH1 ARG A 20 10.111 -6.976 -6.361 1.00 0.00 N ATOM 285 NH2 ARG A 20 10.616 -4.889 -7.165 1.00 0.00 N ATOM 0 H ARG A 20 6.111 -4.795 -1.616 1.00 0.00 H new ATOM 0 HA ARG A 20 5.344 -2.653 -3.474 1.00 0.00 H new ATOM 0 HB2 ARG A 20 7.096 -3.730 -4.895 1.00 0.00 H new ATOM 0 HB3 ARG A 20 7.643 -2.924 -3.438 1.00 0.00 H new ATOM 0 HG2 ARG A 20 8.674 -4.785 -2.781 1.00 0.00 H new ATOM 0 HG3 ARG A 20 7.141 -5.634 -2.735 1.00 0.00 H new ATOM 0 HD2 ARG A 20 8.793 -6.745 -4.217 1.00 0.00 H new ATOM 0 HD3 ARG A 20 7.341 -6.267 -5.074 1.00 0.00 H new ATOM 0 HE ARG A 20 8.914 -4.106 -5.535 1.00 0.00 H new ATOM 0 HH11 ARG A 20 9.578 -7.577 -5.733 1.00 0.00 H new ATOM 0 HH12 ARG A 20 10.791 -7.384 -7.003 1.00 0.00 H new ATOM 0 HH21 ARG A 20 10.474 -3.879 -7.158 1.00 0.00 H new ATOM 0 HH22 ARG A 20 11.294 -5.304 -7.804 1.00 0.00 H new ATOM 299 N ALA A 21 3.895 -4.010 -4.913 1.00 0.00 N ATOM 300 CA ALA A 21 2.924 -4.752 -5.703 1.00 0.00 C ATOM 301 C ALA A 21 2.452 -4.006 -6.924 1.00 0.00 C ATOM 302 O ALA A 21 2.690 -2.825 -7.123 1.00 0.00 O ATOM 303 CB ALA A 21 1.761 -5.176 -4.834 1.00 0.00 C ATOM 0 H ALA A 21 3.872 -3.000 -5.051 1.00 0.00 H new ATOM 0 HA ALA A 21 3.432 -5.640 -6.079 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.041 -5.730 -5.435 1.00 0.00 H new ATOM 0 HB2 ALA A 21 2.123 -5.811 -4.025 1.00 0.00 H new ATOM 0 HB3 ALA A 21 1.280 -4.293 -4.414 1.00 0.00 H new ATOM 309 N LYS A 22 1.711 -4.791 -7.699 1.00 0.00 N ATOM 310 CA LYS A 22 1.060 -4.386 -8.929 1.00 0.00 C ATOM 311 C LYS A 22 -0.464 -4.407 -8.765 1.00 0.00 C ATOM 312 O LYS A 22 -0.982 -5.146 -7.939 1.00 0.00 O ATOM 313 CB LYS A 22 1.454 -5.379 -10.019 1.00 0.00 C ATOM 314 CG LYS A 22 2.626 -4.951 -10.869 1.00 0.00 C ATOM 315 CD LYS A 22 3.080 -6.069 -11.788 1.00 0.00 C ATOM 316 CE LYS A 22 4.516 -6.490 -11.523 1.00 0.00 C ATOM 317 NZ LYS A 22 5.401 -5.330 -11.249 1.00 0.00 N ATOM 0 H LYS A 22 1.543 -5.771 -7.472 1.00 0.00 H new ATOM 0 HA LYS A 22 1.368 -3.373 -9.188 1.00 0.00 H new ATOM 0 HB2 LYS A 22 1.691 -6.335 -9.552 1.00 0.00 H new ATOM 0 HB3 LYS A 22 0.594 -5.546 -10.668 1.00 0.00 H new ATOM 0 HG2 LYS A 22 2.348 -4.080 -11.463 1.00 0.00 H new ATOM 0 HG3 LYS A 22 3.452 -4.648 -10.226 1.00 0.00 H new ATOM 0 HD2 LYS A 22 2.423 -6.929 -11.661 1.00 0.00 H new ATOM 0 HD3 LYS A 22 2.985 -5.745 -12.824 1.00 0.00 H new ATOM 0 HE2 LYS A 22 4.541 -7.172 -10.673 1.00 0.00 H new ATOM 0 HE3 LYS A 22 4.896 -7.039 -12.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 6.382 -5.578 -11.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 5.098 -4.518 -11.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 5.344 -5.080 -10.241 1.00 0.00 H new ATOM 331 N PHE A 23 -1.180 -3.588 -9.538 1.00 0.00 N ATOM 332 CA PHE A 23 -2.641 -3.575 -9.451 1.00 0.00 C ATOM 333 C PHE A 23 -3.209 -4.427 -10.537 1.00 0.00 C ATOM 334 O PHE A 23 -2.931 -4.245 -11.725 1.00 0.00 O ATOM 335 CB PHE A 23 -3.222 -2.164 -9.528 1.00 0.00 C ATOM 336 CG PHE A 23 -3.100 -1.379 -8.256 1.00 0.00 C ATOM 337 CD1 PHE A 23 -1.902 -0.775 -7.913 1.00 0.00 C ATOM 338 CD2 PHE A 23 -4.189 -1.231 -7.412 1.00 0.00 C ATOM 339 CE1 PHE A 23 -1.793 -0.039 -6.749 1.00 0.00 C ATOM 340 CE2 PHE A 23 -4.085 -0.498 -6.248 1.00 0.00 C ATOM 341 CZ PHE A 23 -2.887 0.097 -5.917 1.00 0.00 C ATOM 0 H PHE A 23 -0.783 -2.939 -10.217 1.00 0.00 H new ATOM 0 HA PHE A 23 -2.917 -3.975 -8.476 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -2.720 -1.619 -10.328 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -4.275 -2.231 -9.801 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -1.045 -0.880 -8.562 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -5.130 -1.695 -7.668 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -0.855 0.429 -6.490 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -4.941 -0.391 -5.598 1.00 0.00 H new ATOM 0 HZ PHE A 23 -2.803 0.671 -5.006 1.00 0.00 H new ATOM 351 N VAL A 24 -3.942 -5.420 -10.099 1.00 0.00 N ATOM 352 CA VAL A 24 -4.497 -6.382 -10.974 1.00 0.00 C ATOM 353 C VAL A 24 -5.944 -6.711 -10.647 1.00 0.00 C ATOM 354 O VAL A 24 -6.367 -7.865 -10.726 1.00 0.00 O ATOM 355 CB VAL A 24 -3.640 -7.643 -10.876 1.00 0.00 C ATOM 356 CG1 VAL A 24 -2.205 -7.360 -11.297 1.00 0.00 C ATOM 357 CG2 VAL A 24 -3.693 -8.220 -9.468 1.00 0.00 C ATOM 0 H VAL A 24 -4.163 -5.571 -9.115 1.00 0.00 H new ATOM 0 HA VAL A 24 -4.498 -5.975 -11.985 1.00 0.00 H new ATOM 0 HB VAL A 24 -4.048 -8.386 -11.562 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -1.616 -8.274 -11.218 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -2.191 -7.007 -12.328 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -1.779 -6.596 -10.646 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -3.076 -9.117 -9.419 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -3.318 -7.483 -8.758 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -4.723 -8.474 -9.217 1.00 0.00 H new ATOM 367 N GLY A 25 -6.718 -5.676 -10.328 1.00 0.00 N ATOM 368 CA GLY A 25 -8.134 -5.830 -10.035 1.00 0.00 C ATOM 369 C GLY A 25 -8.831 -4.485 -10.006 1.00 0.00 C ATOM 370 O GLY A 25 -8.167 -3.452 -9.946 1.00 0.00 O ATOM 0 H GLY A 25 -6.381 -4.715 -10.267 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -8.598 -6.468 -10.788 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -8.258 -6.329 -9.074 1.00 0.00 H new ATOM 374 N THR A 26 -10.157 -4.483 -10.083 1.00 0.00 N ATOM 375 CA THR A 26 -10.933 -3.236 -10.114 1.00 0.00 C ATOM 376 C THR A 26 -11.541 -2.884 -8.745 1.00 0.00 C ATOM 377 O THR A 26 -11.653 -3.740 -7.869 1.00 0.00 O ATOM 378 CB THR A 26 -12.018 -3.340 -11.206 1.00 0.00 C ATOM 379 OG1 THR A 26 -12.388 -2.062 -11.676 1.00 0.00 O ATOM 380 CG2 THR A 26 -13.288 -4.046 -10.771 1.00 0.00 C ATOM 0 H THR A 26 -10.724 -5.330 -10.125 1.00 0.00 H new ATOM 0 HA THR A 26 -10.255 -2.418 -10.356 1.00 0.00 H new ATOM 0 HB THR A 26 -11.550 -3.939 -11.987 1.00 0.00 H new ATOM 0 HG1 THR A 26 -13.344 -1.919 -11.517 1.00 0.00 H new ATOM 0 HG21 THR A 26 -13.993 -4.072 -11.602 1.00 0.00 H new ATOM 0 HG22 THR A 26 -13.051 -5.065 -10.464 1.00 0.00 H new ATOM 0 HG23 THR A 26 -13.734 -3.509 -9.934 1.00 0.00 H new ATOM 388 N PRO A 27 -11.917 -1.595 -8.538 1.00 0.00 N ATOM 389 CA PRO A 27 -12.482 -1.115 -7.263 1.00 0.00 C ATOM 390 C PRO A 27 -13.933 -1.520 -6.995 1.00 0.00 C ATOM 391 O PRO A 27 -14.855 -1.101 -7.694 1.00 0.00 O ATOM 392 CB PRO A 27 -12.403 0.405 -7.395 1.00 0.00 C ATOM 393 CG PRO A 27 -12.494 0.657 -8.857 1.00 0.00 C ATOM 394 CD PRO A 27 -11.785 -0.492 -9.514 1.00 0.00 C ATOM 0 HA PRO A 27 -11.930 -1.550 -6.430 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -13.216 0.893 -6.857 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -11.471 0.791 -6.983 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -13.533 0.712 -9.181 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -12.028 1.606 -9.120 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -12.240 -0.748 -10.471 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -10.739 -0.256 -9.712 1.00 0.00 H new ATOM 402 N GLU A 28 -14.104 -2.342 -5.966 1.00 0.00 N ATOM 403 CA GLU A 28 -15.443 -2.794 -5.579 1.00 0.00 C ATOM 404 C GLU A 28 -16.018 -1.871 -4.508 1.00 0.00 C ATOM 405 O GLU A 28 -15.471 -1.770 -3.411 1.00 0.00 O ATOM 406 CB GLU A 28 -15.394 -4.226 -5.070 1.00 0.00 C ATOM 407 CG GLU A 28 -16.067 -5.203 -6.008 1.00 0.00 C ATOM 408 CD GLU A 28 -15.909 -6.640 -5.559 1.00 0.00 C ATOM 409 OE1 GLU A 28 -14.864 -7.248 -5.874 1.00 0.00 O ATOM 410 OE2 GLU A 28 -16.825 -7.157 -4.888 1.00 0.00 O ATOM 0 H GLU A 28 -13.346 -2.707 -5.389 1.00 0.00 H new ATOM 0 HA GLU A 28 -16.089 -2.762 -6.456 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -14.354 -4.522 -4.929 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -15.875 -4.277 -4.093 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -17.128 -4.962 -6.078 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -15.647 -5.090 -7.008 1.00 0.00 H new ATOM 417 N VAL A 29 -17.062 -1.131 -4.869 1.00 0.00 N ATOM 418 CA VAL A 29 -17.608 -0.141 -3.936 1.00 0.00 C ATOM 419 C VAL A 29 -18.972 -0.427 -3.295 1.00 0.00 C ATOM 420 O VAL A 29 -19.993 -0.160 -3.930 1.00 0.00 O ATOM 421 CB VAL A 29 -17.708 1.249 -4.587 1.00 0.00 C ATOM 422 CG1 VAL A 29 -17.795 2.332 -3.521 1.00 0.00 C ATOM 423 CG2 VAL A 29 -16.545 1.519 -5.536 1.00 0.00 C ATOM 0 H VAL A 29 -17.537 -1.190 -5.770 1.00 0.00 H new ATOM 0 HA VAL A 29 -16.877 -0.194 -3.129 1.00 0.00 H new ATOM 0 HB VAL A 29 -18.621 1.267 -5.181 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -17.865 3.309 -4.000 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -18.678 2.166 -2.905 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -16.904 2.298 -2.894 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -16.655 2.511 -5.974 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -15.606 1.468 -4.985 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -16.541 0.771 -6.329 1.00 0.00 H new ATOM 433 N ASN A 30 -19.029 -0.948 -2.069 1.00 0.00 N ATOM 434 CA ASN A 30 -20.343 -1.191 -1.462 1.00 0.00 C ATOM 435 C ASN A 30 -20.964 0.167 -1.153 1.00 0.00 C ATOM 436 O ASN A 30 -20.286 1.163 -0.888 1.00 0.00 O ATOM 437 CB ASN A 30 -20.261 -2.064 -0.218 1.00 0.00 C ATOM 438 CG ASN A 30 -21.504 -2.915 -0.042 1.00 0.00 C ATOM 439 OD1 ASN A 30 -22.423 -2.461 0.796 1.00 0.00 O flip ATOM 440 ND2 ASN A 30 -21.633 -3.973 -0.651 1.00 0.00 N flip ATOM 0 H ASN A 30 -18.223 -1.201 -1.497 1.00 0.00 H new ATOM 0 HA ASN A 30 -20.968 -1.747 -2.161 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -19.385 -2.710 -0.285 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -20.126 -1.433 0.660 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -20.901 -4.287 -1.288 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -22.472 -4.538 -0.520 1.00 0.00 H new ATOM 447 N GLN A 31 -22.289 0.109 -1.114 1.00 0.00 N ATOM 448 CA GLN A 31 -23.111 1.264 -0.751 1.00 0.00 C ATOM 449 C GLN A 31 -23.172 1.382 0.763 1.00 0.00 C ATOM 450 O GLN A 31 -23.678 2.373 1.286 1.00 0.00 O ATOM 451 CB GLN A 31 -24.506 1.126 -1.327 1.00 0.00 C ATOM 452 CG GLN A 31 -24.519 0.878 -2.819 1.00 0.00 C ATOM 453 CD GLN A 31 -24.280 2.142 -3.621 1.00 0.00 C ATOM 454 OE1 GLN A 31 -25.221 2.786 -4.083 1.00 0.00 O ATOM 455 NE2 GLN A 31 -23.014 2.506 -3.789 1.00 0.00 N ATOM 0 H GLN A 31 -22.824 -0.732 -1.331 1.00 0.00 H new ATOM 0 HA GLN A 31 -22.662 2.167 -1.165 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -25.018 0.305 -0.825 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -25.071 2.033 -1.112 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -23.753 0.143 -3.068 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -25.479 0.447 -3.104 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -22.264 1.943 -3.389 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -22.792 3.349 -4.318 1.00 0.00 H new ATOM 464 N THR A 32 -22.802 0.336 1.464 1.00 0.00 N ATOM 465 CA THR A 32 -22.965 0.283 2.896 1.00 0.00 C ATOM 466 C THR A 32 -21.731 -0.327 3.517 1.00 0.00 C ATOM 467 O THR A 32 -21.788 -1.151 4.427 1.00 0.00 O ATOM 468 CB THR A 32 -24.276 -0.506 3.182 1.00 0.00 C ATOM 469 OG1 THR A 32 -25.372 0.391 3.283 1.00 0.00 O ATOM 470 CG2 THR A 32 -24.297 -1.380 4.426 1.00 0.00 C ATOM 0 H THR A 32 -22.381 -0.500 1.058 1.00 0.00 H new ATOM 0 HA THR A 32 -23.064 1.271 3.346 1.00 0.00 H new ATOM 0 HB THR A 32 -24.344 -1.185 2.332 1.00 0.00 H new ATOM 0 HG1 THR A 32 -26.193 -0.114 3.461 1.00 0.00 H new ATOM 0 HG21 THR A 32 -25.266 -1.873 4.508 1.00 0.00 H new ATOM 0 HG22 THR A 32 -23.512 -2.133 4.355 1.00 0.00 H new ATOM 0 HG23 THR A 32 -24.129 -0.762 5.308 1.00 0.00 H new ATOM 478 N THR A 33 -20.597 0.108 3.023 1.00 0.00 N ATOM 479 CA THR A 33 -19.336 -0.349 3.523 1.00 0.00 C ATOM 480 C THR A 33 -18.684 0.773 4.213 1.00 0.00 C ATOM 481 O THR A 33 -18.051 0.577 5.248 1.00 0.00 O ATOM 482 CB THR A 33 -18.383 -0.759 2.395 1.00 0.00 C ATOM 483 OG1 THR A 33 -17.021 -0.539 2.745 1.00 0.00 O ATOM 484 CG2 THR A 33 -18.629 -0.028 1.085 1.00 0.00 C ATOM 0 H THR A 33 -20.529 0.787 2.265 1.00 0.00 H new ATOM 0 HA THR A 33 -19.530 -1.205 4.170 1.00 0.00 H new ATOM 0 HB THR A 33 -18.587 -1.820 2.254 1.00 0.00 H new ATOM 0 HG1 THR A 33 -16.739 -1.211 3.400 1.00 0.00 H new ATOM 0 HG21 THR A 33 -17.915 -0.373 0.337 1.00 0.00 H new ATOM 0 HG22 THR A 33 -19.643 -0.231 0.740 1.00 0.00 H new ATOM 0 HG23 THR A 33 -18.505 1.044 1.238 1.00 0.00 H new ATOM 492 N LEU A 34 -18.629 1.907 3.507 1.00 0.00 N ATOM 493 CA LEU A 34 -17.799 2.997 3.950 1.00 0.00 C ATOM 494 C LEU A 34 -16.421 2.885 3.368 1.00 0.00 C ATOM 495 O LEU A 34 -15.614 3.791 3.535 1.00 0.00 O ATOM 496 CB LEU A 34 -17.713 3.120 5.445 1.00 0.00 C ATOM 497 CG LEU A 34 -18.559 4.214 6.044 1.00 0.00 C ATOM 498 CD1 LEU A 34 -18.344 4.246 7.546 1.00 0.00 C ATOM 499 CD2 LEU A 34 -18.157 5.546 5.399 1.00 0.00 C ATOM 0 H LEU A 34 -19.145 2.079 2.644 1.00 0.00 H new ATOM 0 HA LEU A 34 -18.282 3.904 3.588 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -18.007 2.169 5.890 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -16.673 3.293 5.721 1.00 0.00 H new ATOM 0 HG LEU A 34 -19.617 4.034 5.856 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -18.954 5.036 7.984 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -18.631 3.286 7.975 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -17.293 4.439 7.759 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -18.759 6.351 5.820 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -17.103 5.741 5.594 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -18.323 5.494 4.323 1.00 0.00 H new ATOM 511 N TYR A 35 -16.166 1.742 2.740 1.00 0.00 N ATOM 512 CA TYR A 35 -14.871 1.424 2.117 1.00 0.00 C ATOM 513 C TYR A 35 -15.009 0.600 0.866 1.00 0.00 C ATOM 514 O TYR A 35 -16.101 0.217 0.468 1.00 0.00 O ATOM 515 CB TYR A 35 -13.927 0.727 3.081 1.00 0.00 C ATOM 516 CG TYR A 35 -14.580 -0.156 4.090 1.00 0.00 C ATOM 517 CD1 TYR A 35 -15.063 0.396 5.255 1.00 0.00 C ATOM 518 CD2 TYR A 35 -14.684 -1.524 3.904 1.00 0.00 C ATOM 519 CE1 TYR A 35 -15.635 -0.380 6.224 1.00 0.00 C ATOM 520 CE2 TYR A 35 -15.266 -2.321 4.871 1.00 0.00 C ATOM 521 CZ TYR A 35 -15.739 -1.743 6.033 1.00 0.00 C ATOM 522 OH TYR A 35 -16.307 -2.528 7.010 1.00 0.00 O ATOM 0 H TYR A 35 -16.856 0.997 2.644 1.00 0.00 H new ATOM 0 HA TYR A 35 -14.444 2.388 1.841 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -13.221 0.130 2.504 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -13.348 1.485 3.608 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -14.989 1.463 5.406 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -14.307 -1.972 2.996 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -16.003 0.071 7.134 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -15.350 -3.387 4.720 1.00 0.00 H new ATOM 0 HH TYR A 35 -16.305 -3.464 6.720 1.00 0.00 H new ATOM 532 N GLN A 36 -13.888 0.410 0.192 1.00 0.00 N ATOM 533 CA GLN A 36 -13.845 -0.304 -1.061 1.00 0.00 C ATOM 534 C GLN A 36 -12.617 -1.222 -1.061 1.00 0.00 C ATOM 535 O GLN A 36 -11.787 -1.113 -0.161 1.00 0.00 O ATOM 536 CB GLN A 36 -13.747 0.742 -2.167 1.00 0.00 C ATOM 537 CG GLN A 36 -14.967 1.631 -2.281 1.00 0.00 C ATOM 538 CD GLN A 36 -14.636 3.011 -2.819 1.00 0.00 C ATOM 539 OE1 GLN A 36 -14.966 4.027 -2.213 1.00 0.00 O ATOM 540 NE2 GLN A 36 -13.992 3.050 -3.977 1.00 0.00 N ATOM 0 H GLN A 36 -12.979 0.751 0.505 1.00 0.00 H new ATOM 0 HA GLN A 36 -14.731 -0.921 -1.213 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -12.871 1.365 -1.987 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -13.588 0.236 -3.119 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -15.698 1.156 -2.935 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -15.433 1.730 -1.301 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -13.736 2.182 -4.448 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -13.752 3.948 -4.397 1.00 0.00 H new ATOM 549 N ARG A 37 -12.486 -2.129 -2.037 1.00 0.00 N ATOM 550 CA ARG A 37 -11.327 -3.027 -2.046 1.00 0.00 C ATOM 551 C ARG A 37 -10.765 -3.327 -3.446 1.00 0.00 C ATOM 552 O ARG A 37 -11.390 -3.990 -4.271 1.00 0.00 O ATOM 553 CB ARG A 37 -11.655 -4.334 -1.311 1.00 0.00 C ATOM 554 CG ARG A 37 -12.493 -5.320 -2.113 1.00 0.00 C ATOM 555 CD ARG A 37 -12.059 -6.753 -1.845 1.00 0.00 C ATOM 556 NE ARG A 37 -12.851 -7.721 -2.602 1.00 0.00 N ATOM 557 CZ ARG A 37 -12.422 -8.939 -2.931 1.00 0.00 C ATOM 558 NH1 ARG A 37 -11.203 -9.340 -2.584 1.00 0.00 N ATOM 559 NH2 ARG A 37 -13.212 -9.758 -3.610 1.00 0.00 N ATOM 0 H ARG A 37 -13.144 -2.259 -2.806 1.00 0.00 H new ATOM 0 HA ARG A 37 -10.537 -2.490 -1.520 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -10.721 -4.819 -1.026 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -12.184 -4.094 -0.389 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -13.545 -5.201 -1.855 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -12.399 -5.101 -3.177 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -11.006 -6.866 -2.103 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -12.150 -6.965 -0.780 1.00 0.00 H new ATOM 0 HE ARG A 37 -13.789 -7.448 -2.896 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -10.589 -8.714 -2.062 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -10.881 -10.274 -2.839 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -14.148 -9.456 -3.881 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -12.884 -10.690 -3.862 1.00 0.00 H new ATOM 573 N TYR A 38 -9.554 -2.825 -3.680 1.00 0.00 N ATOM 574 CA TYR A 38 -8.839 -3.025 -4.944 1.00 0.00 C ATOM 575 C TYR A 38 -8.037 -4.322 -4.886 1.00 0.00 C ATOM 576 O TYR A 38 -7.581 -4.716 -3.814 1.00 0.00 O ATOM 577 CB TYR A 38 -7.825 -1.889 -5.193 1.00 0.00 C ATOM 578 CG TYR A 38 -8.351 -0.640 -5.875 1.00 0.00 C ATOM 579 CD1 TYR A 38 -8.982 -0.702 -7.108 1.00 0.00 C ATOM 580 CD2 TYR A 38 -8.180 0.614 -5.290 1.00 0.00 C ATOM 581 CE1 TYR A 38 -9.429 0.448 -7.735 1.00 0.00 C ATOM 582 CE2 TYR A 38 -8.630 1.763 -5.911 1.00 0.00 C ATOM 583 CZ TYR A 38 -9.253 1.675 -7.133 1.00 0.00 C ATOM 584 OH TYR A 38 -9.698 2.816 -7.760 1.00 0.00 O ATOM 0 H TYR A 38 -9.038 -2.267 -2.999 1.00 0.00 H new ATOM 0 HA TYR A 38 -9.586 -3.049 -5.738 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -7.398 -1.598 -4.233 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -7.010 -2.288 -5.796 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -9.127 -1.660 -7.585 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -7.686 0.689 -4.332 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -9.916 0.384 -8.697 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -8.493 2.725 -5.439 1.00 0.00 H new ATOM 0 HH TYR A 38 -9.497 3.596 -7.201 1.00 0.00 H new ATOM 594 N GLU A 39 -7.843 -4.985 -6.024 1.00 0.00 N ATOM 595 CA GLU A 39 -7.075 -6.224 -6.090 1.00 0.00 C ATOM 596 C GLU A 39 -5.700 -5.895 -6.623 1.00 0.00 C ATOM 597 O GLU A 39 -5.580 -5.057 -7.518 1.00 0.00 O ATOM 598 CB GLU A 39 -7.760 -7.242 -7.006 1.00 0.00 C ATOM 599 CG GLU A 39 -9.204 -7.535 -6.638 1.00 0.00 C ATOM 600 CD GLU A 39 -10.188 -6.612 -7.321 1.00 0.00 C ATOM 601 OE1 GLU A 39 -10.465 -6.820 -8.519 1.00 0.00 O ATOM 602 OE2 GLU A 39 -10.690 -5.684 -6.653 1.00 0.00 O ATOM 0 H GLU A 39 -8.213 -4.679 -6.924 1.00 0.00 H new ATOM 0 HA GLU A 39 -7.005 -6.665 -5.096 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -7.725 -6.873 -8.031 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -7.194 -8.173 -6.983 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -9.438 -8.566 -6.902 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -9.323 -7.448 -5.558 1.00 0.00 H new ATOM 609 N ILE A 40 -4.655 -6.517 -6.089 1.00 0.00 N ATOM 610 CA ILE A 40 -3.328 -6.190 -6.578 1.00 0.00 C ATOM 611 C ILE A 40 -2.333 -7.342 -6.593 1.00 0.00 C ATOM 612 O ILE A 40 -2.239 -8.127 -5.649 1.00 0.00 O ATOM 613 CB ILE A 40 -2.686 -5.095 -5.702 1.00 0.00 C ATOM 614 CG1 ILE A 40 -2.753 -5.483 -4.219 1.00 0.00 C ATOM 615 CG2 ILE A 40 -3.332 -3.740 -5.953 1.00 0.00 C ATOM 616 CD1 ILE A 40 -4.112 -5.300 -3.586 1.00 0.00 C ATOM 0 H ILE A 40 -4.697 -7.219 -5.350 1.00 0.00 H new ATOM 0 HA ILE A 40 -3.507 -5.877 -7.607 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.635 -5.009 -5.979 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -2.455 -6.526 -4.115 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -2.026 -4.888 -3.667 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -2.858 -2.989 -5.321 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -3.206 -3.465 -7.000 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -4.395 -3.794 -5.718 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -4.069 -5.598 -2.538 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -4.407 -4.253 -3.654 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -4.843 -5.917 -4.109 1.00 0.00 H new ATOM 628 N LYS A 41 -1.597 -7.419 -7.696 1.00 0.00 N ATOM 629 CA LYS A 41 -0.602 -8.455 -7.873 1.00 0.00 C ATOM 630 C LYS A 41 0.584 -8.136 -6.972 1.00 0.00 C ATOM 631 O LYS A 41 1.566 -7.531 -7.400 1.00 0.00 O ATOM 632 CB LYS A 41 -0.141 -8.497 -9.334 1.00 0.00 C ATOM 633 CG LYS A 41 -0.263 -9.864 -9.986 1.00 0.00 C ATOM 634 CD LYS A 41 0.892 -10.769 -9.590 1.00 0.00 C ATOM 635 CE LYS A 41 0.411 -11.969 -8.791 1.00 0.00 C ATOM 636 NZ LYS A 41 1.470 -13.006 -8.654 1.00 0.00 N ATOM 0 H LYS A 41 -1.676 -6.771 -8.480 1.00 0.00 H new ATOM 0 HA LYS A 41 -1.026 -9.425 -7.614 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -0.726 -7.779 -9.909 1.00 0.00 H new ATOM 0 HB3 LYS A 41 0.899 -8.174 -9.385 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -1.206 -10.326 -9.694 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -0.285 -9.752 -11.070 1.00 0.00 H new ATOM 0 HD2 LYS A 41 1.411 -11.111 -10.485 1.00 0.00 H new ATOM 0 HD3 LYS A 41 1.613 -10.203 -9.000 1.00 0.00 H new ATOM 0 HE2 LYS A 41 0.093 -11.642 -7.801 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -0.462 -12.404 -9.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 1.102 -13.807 -8.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 1.756 -13.337 -9.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 2.293 -12.599 -8.166 1.00 0.00 H new ATOM 650 N MET A 42 0.453 -8.538 -5.704 1.00 0.00 N ATOM 651 CA MET A 42 1.478 -8.299 -4.691 1.00 0.00 C ATOM 652 C MET A 42 2.814 -8.861 -5.121 1.00 0.00 C ATOM 653 O MET A 42 2.932 -10.051 -5.411 1.00 0.00 O ATOM 654 CB MET A 42 1.049 -8.904 -3.354 1.00 0.00 C ATOM 655 CG MET A 42 2.004 -8.618 -2.206 1.00 0.00 C ATOM 656 SD MET A 42 2.213 -10.037 -1.112 1.00 0.00 S ATOM 657 CE MET A 42 2.375 -9.224 0.475 1.00 0.00 C ATOM 0 H MET A 42 -0.365 -9.037 -5.355 1.00 0.00 H new ATOM 0 HA MET A 42 1.592 -7.222 -4.571 1.00 0.00 H new ATOM 0 HB2 MET A 42 0.062 -8.521 -3.095 1.00 0.00 H new ATOM 0 HB3 MET A 42 0.952 -9.983 -3.471 1.00 0.00 H new ATOM 0 HG2 MET A 42 2.974 -8.328 -2.609 1.00 0.00 H new ATOM 0 HG3 MET A 42 1.631 -7.771 -1.630 1.00 0.00 H new ATOM 0 HE1 MET A 42 2.977 -9.842 1.141 1.00 0.00 H new ATOM 0 HE2 MET A 42 2.860 -8.257 0.341 1.00 0.00 H new ATOM 0 HE3 MET A 42 1.387 -9.077 0.911 1.00 0.00 H new ATOM 667 N THR A 43 3.837 -8.009 -5.167 1.00 0.00 N ATOM 668 CA THR A 43 5.156 -8.443 -5.574 1.00 0.00 C ATOM 669 C THR A 43 5.953 -8.995 -4.395 1.00 0.00 C ATOM 670 O THR A 43 6.241 -10.190 -4.339 1.00 0.00 O ATOM 671 CB THR A 43 5.918 -7.299 -6.235 1.00 0.00 C ATOM 672 OG1 THR A 43 5.081 -6.564 -7.099 1.00 0.00 O ATOM 673 CG2 THR A 43 7.111 -7.761 -7.042 1.00 0.00 C ATOM 0 H THR A 43 3.770 -7.020 -4.927 1.00 0.00 H new ATOM 0 HA THR A 43 5.027 -9.247 -6.299 1.00 0.00 H new ATOM 0 HB THR A 43 6.271 -6.681 -5.410 1.00 0.00 H new ATOM 0 HG1 THR A 43 5.289 -5.609 -7.022 1.00 0.00 H new ATOM 0 HG21 THR A 43 7.607 -6.897 -7.485 1.00 0.00 H new ATOM 0 HG22 THR A 43 7.809 -8.287 -6.391 1.00 0.00 H new ATOM 0 HG23 THR A 43 6.777 -8.432 -7.833 1.00 0.00 H new ATOM 681 N LYS A 44 6.289 -8.126 -3.433 1.00 0.00 N ATOM 682 CA LYS A 44 7.026 -8.514 -2.237 1.00 0.00 C ATOM 683 C LYS A 44 6.581 -7.627 -1.068 1.00 0.00 C ATOM 684 O LYS A 44 6.417 -6.419 -1.223 1.00 0.00 O ATOM 685 CB LYS A 44 8.535 -8.370 -2.464 1.00 0.00 C ATOM 686 CG LYS A 44 9.383 -9.228 -1.537 1.00 0.00 C ATOM 687 CD LYS A 44 10.860 -9.141 -1.889 1.00 0.00 C ATOM 688 CE LYS A 44 11.490 -7.867 -1.346 1.00 0.00 C ATOM 689 NZ LYS A 44 12.953 -8.026 -1.110 1.00 0.00 N ATOM 0 H LYS A 44 6.054 -7.134 -3.468 1.00 0.00 H new ATOM 0 HA LYS A 44 6.816 -9.559 -2.007 1.00 0.00 H new ATOM 0 HB2 LYS A 44 8.764 -8.633 -3.497 1.00 0.00 H new ATOM 0 HB3 LYS A 44 8.814 -7.325 -2.332 1.00 0.00 H new ATOM 0 HG2 LYS A 44 9.235 -8.907 -0.506 1.00 0.00 H new ATOM 0 HG3 LYS A 44 9.054 -10.265 -1.598 1.00 0.00 H new ATOM 0 HD2 LYS A 44 11.383 -10.008 -1.484 1.00 0.00 H new ATOM 0 HD3 LYS A 44 10.979 -9.174 -2.972 1.00 0.00 H new ATOM 0 HE2 LYS A 44 11.322 -7.051 -2.049 1.00 0.00 H new ATOM 0 HE3 LYS A 44 11.000 -7.589 -0.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 13.318 -7.187 -0.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 13.121 -8.871 -0.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 13.442 -8.131 -2.022 1.00 0.00 H new ATOM 703 N MET A 45 6.391 -8.223 0.100 1.00 0.00 N ATOM 704 CA MET A 45 5.971 -7.468 1.281 1.00 0.00 C ATOM 705 C MET A 45 7.198 -6.996 2.033 1.00 0.00 C ATOM 706 O MET A 45 8.093 -7.791 2.306 1.00 0.00 O ATOM 707 CB MET A 45 5.074 -8.332 2.187 1.00 0.00 C ATOM 708 CG MET A 45 5.804 -9.417 2.966 1.00 0.00 C ATOM 709 SD MET A 45 6.587 -10.652 1.910 1.00 0.00 S ATOM 710 CE MET A 45 8.242 -10.675 2.590 1.00 0.00 C ATOM 0 H MET A 45 6.519 -9.222 0.259 1.00 0.00 H new ATOM 0 HA MET A 45 5.388 -6.602 0.967 1.00 0.00 H new ATOM 0 HB2 MET A 45 4.562 -7.680 2.894 1.00 0.00 H new ATOM 0 HB3 MET A 45 4.306 -8.801 1.572 1.00 0.00 H new ATOM 0 HG2 MET A 45 6.564 -8.954 3.595 1.00 0.00 H new ATOM 0 HG3 MET A 45 5.098 -9.914 3.632 1.00 0.00 H new ATOM 0 HE1 MET A 45 8.614 -11.699 2.608 1.00 0.00 H new ATOM 0 HE2 MET A 45 8.898 -10.061 1.972 1.00 0.00 H new ATOM 0 HE3 MET A 45 8.224 -10.278 3.605 1.00 0.00 H new ATOM 720 N TYR A 46 7.279 -5.706 2.389 1.00 0.00 N ATOM 721 CA TYR A 46 8.434 -5.199 3.099 1.00 0.00 C ATOM 722 C TYR A 46 8.122 -5.134 4.590 1.00 0.00 C ATOM 723 O TYR A 46 8.974 -5.440 5.425 1.00 0.00 O ATOM 724 CB TYR A 46 8.866 -3.846 2.499 1.00 0.00 C ATOM 725 CG TYR A 46 9.482 -3.980 1.104 1.00 0.00 C ATOM 726 CD1 TYR A 46 9.135 -5.032 0.260 1.00 0.00 C ATOM 727 CD2 TYR A 46 10.415 -3.064 0.633 1.00 0.00 C ATOM 728 CE1 TYR A 46 9.698 -5.161 -0.994 1.00 0.00 C ATOM 729 CE2 TYR A 46 10.978 -3.190 -0.622 1.00 0.00 C ATOM 730 CZ TYR A 46 10.619 -4.240 -1.431 1.00 0.00 C ATOM 731 OH TYR A 46 11.175 -4.366 -2.686 1.00 0.00 O ATOM 0 H TYR A 46 6.559 -5.010 2.194 1.00 0.00 H new ATOM 0 HA TYR A 46 9.285 -5.870 2.983 1.00 0.00 H new ATOM 0 HB2 TYR A 46 8.001 -3.185 2.446 1.00 0.00 H new ATOM 0 HB3 TYR A 46 9.588 -3.373 3.165 1.00 0.00 H new ATOM 0 HD1 TYR A 46 8.411 -5.761 0.593 1.00 0.00 H new ATOM 0 HD2 TYR A 46 10.706 -2.236 1.262 1.00 0.00 H new ATOM 0 HE1 TYR A 46 9.414 -5.986 -1.631 1.00 0.00 H new ATOM 0 HE2 TYR A 46 11.699 -2.464 -0.967 1.00 0.00 H new ATOM 0 HH TYR A 46 11.464 -3.486 -3.006 1.00 0.00 H new ATOM 741 N LYS A 47 6.886 -4.773 4.921 1.00 0.00 N ATOM 742 CA LYS A 47 6.424 -4.723 6.300 1.00 0.00 C ATOM 743 C LYS A 47 5.091 -5.454 6.402 1.00 0.00 C ATOM 744 O LYS A 47 4.153 -5.150 5.667 1.00 0.00 O ATOM 745 CB LYS A 47 6.253 -3.282 6.774 1.00 0.00 C ATOM 746 CG LYS A 47 6.387 -3.126 8.280 1.00 0.00 C ATOM 747 CD LYS A 47 6.474 -1.665 8.684 1.00 0.00 C ATOM 748 CE LYS A 47 6.421 -1.502 10.194 1.00 0.00 C ATOM 749 NZ LYS A 47 7.511 -2.257 10.872 1.00 0.00 N ATOM 0 H LYS A 47 6.177 -4.507 4.238 1.00 0.00 H new ATOM 0 HA LYS A 47 7.169 -5.202 6.935 1.00 0.00 H new ATOM 0 HB2 LYS A 47 6.997 -2.654 6.283 1.00 0.00 H new ATOM 0 HB3 LYS A 47 5.274 -2.918 6.463 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.532 -3.590 8.772 1.00 0.00 H new ATOM 0 HG3 LYS A 47 7.277 -3.653 8.623 1.00 0.00 H new ATOM 0 HD2 LYS A 47 7.400 -1.235 8.303 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.654 -1.111 8.228 1.00 0.00 H new ATOM 0 HE2 LYS A 47 6.499 -0.445 10.448 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.456 -1.848 10.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 7.525 -2.014 11.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 7.346 -3.278 10.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 8.425 -2.007 10.444 1.00 0.00 H new ATOM 763 N GLY A 48 5.028 -6.474 7.252 1.00 0.00 N ATOM 764 CA GLY A 48 3.827 -7.281 7.383 1.00 0.00 C ATOM 765 C GLY A 48 4.127 -8.679 7.914 1.00 0.00 C ATOM 766 O GLY A 48 3.204 -9.453 8.164 1.00 0.00 O ATOM 0 H GLY A 48 5.797 -6.759 7.859 1.00 0.00 H new ATOM 0 HA2 GLY A 48 3.127 -6.782 8.054 1.00 0.00 H new ATOM 0 HA3 GLY A 48 3.337 -7.360 6.413 1.00 0.00 H new ATOM 770 N PHE A 49 5.417 -9.021 8.037 1.00 0.00 N ATOM 771 CA PHE A 49 5.836 -10.350 8.493 1.00 0.00 C ATOM 772 C PHE A 49 4.977 -10.842 9.666 1.00 0.00 C ATOM 773 O PHE A 49 4.423 -11.938 9.615 1.00 0.00 O ATOM 774 CB PHE A 49 7.306 -10.321 8.954 1.00 0.00 C ATOM 775 CG PHE A 49 8.284 -9.624 8.033 1.00 0.00 C ATOM 776 CD1 PHE A 49 8.007 -9.414 6.689 1.00 0.00 C ATOM 777 CD2 PHE A 49 9.506 -9.190 8.528 1.00 0.00 C ATOM 778 CE1 PHE A 49 8.923 -8.787 5.864 1.00 0.00 C ATOM 779 CE2 PHE A 49 10.424 -8.561 7.709 1.00 0.00 C ATOM 780 CZ PHE A 49 10.133 -8.360 6.375 1.00 0.00 C ATOM 0 H PHE A 49 6.191 -8.391 7.825 1.00 0.00 H new ATOM 0 HA PHE A 49 5.714 -11.029 7.649 1.00 0.00 H new ATOM 0 HB2 PHE A 49 7.349 -9.836 9.929 1.00 0.00 H new ATOM 0 HB3 PHE A 49 7.641 -11.349 9.094 1.00 0.00 H new ATOM 0 HD1 PHE A 49 7.063 -9.745 6.282 1.00 0.00 H new ATOM 0 HD2 PHE A 49 9.743 -9.346 9.570 1.00 0.00 H new ATOM 0 HE1 PHE A 49 8.692 -8.631 4.821 1.00 0.00 H new ATOM 0 HE2 PHE A 49 11.368 -8.227 8.112 1.00 0.00 H new ATOM 0 HZ PHE A 49 10.850 -7.870 5.732 1.00 0.00 H new ATOM 790 N GLN A 50 4.871 -10.029 10.699 1.00 0.00 N ATOM 791 CA GLN A 50 4.055 -10.417 11.854 1.00 0.00 C ATOM 792 C GLN A 50 2.615 -10.728 11.412 1.00 0.00 C ATOM 793 O GLN A 50 1.899 -11.477 12.076 1.00 0.00 O ATOM 794 CB GLN A 50 4.066 -9.323 12.922 1.00 0.00 C ATOM 795 CG GLN A 50 3.516 -7.989 12.445 1.00 0.00 C ATOM 796 CD GLN A 50 4.510 -6.857 12.617 1.00 0.00 C ATOM 797 OE1 GLN A 50 5.615 -6.899 12.076 1.00 0.00 O ATOM 798 NE2 GLN A 50 4.124 -5.839 13.377 1.00 0.00 N ATOM 0 H GLN A 50 5.323 -9.117 10.772 1.00 0.00 H new ATOM 0 HA GLN A 50 4.487 -11.318 12.290 1.00 0.00 H new ATOM 0 HB2 GLN A 50 3.482 -9.660 13.779 1.00 0.00 H new ATOM 0 HB3 GLN A 50 5.089 -9.179 13.270 1.00 0.00 H new ATOM 0 HG2 GLN A 50 3.239 -8.069 11.394 1.00 0.00 H new ATOM 0 HG3 GLN A 50 2.606 -7.756 12.998 1.00 0.00 H new ATOM 0 HE21 GLN A 50 3.199 -5.845 13.806 1.00 0.00 H new ATOM 0 HE22 GLN A 50 4.753 -5.051 13.531 1.00 0.00 H new ATOM 807 N ALA A 51 2.213 -10.156 10.272 1.00 0.00 N ATOM 808 CA ALA A 51 0.886 -10.372 9.687 1.00 0.00 C ATOM 809 C ALA A 51 0.932 -11.445 8.580 1.00 0.00 C ATOM 810 O ALA A 51 -0.106 -11.883 8.072 1.00 0.00 O ATOM 811 CB ALA A 51 0.337 -9.058 9.141 1.00 0.00 C ATOM 0 H ALA A 51 2.802 -9.527 9.727 1.00 0.00 H new ATOM 0 HA ALA A 51 0.220 -10.735 10.470 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.649 -9.227 8.708 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.258 -8.332 9.950 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.009 -8.674 8.373 1.00 0.00 H new ATOM 875 N ASP A 57 -0.471 -12.217 2.577 1.00 0.00 N ATOM 876 CA ASP A 57 -1.663 -11.785 3.277 1.00 0.00 C ATOM 877 C ASP A 57 -2.117 -10.408 2.786 1.00 0.00 C ATOM 878 O ASP A 57 -3.079 -9.850 3.315 1.00 0.00 O ATOM 879 CB ASP A 57 -1.395 -11.746 4.782 1.00 0.00 C ATOM 880 CG ASP A 57 -1.835 -13.017 5.481 1.00 0.00 C ATOM 881 OD1 ASP A 57 -1.236 -14.080 5.212 1.00 0.00 O ATOM 882 OD2 ASP A 57 -2.776 -12.950 6.299 1.00 0.00 O ATOM 0 HA ASP A 57 -2.461 -12.498 3.072 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -0.330 -11.590 4.955 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -1.917 -10.895 5.219 1.00 0.00 H new ATOM 887 N ILE A 58 -1.412 -9.835 1.796 1.00 0.00 N ATOM 888 CA ILE A 58 -1.773 -8.503 1.301 1.00 0.00 C ATOM 889 C ILE A 58 -2.038 -8.498 -0.193 1.00 0.00 C ATOM 890 O ILE A 58 -1.141 -8.182 -0.983 1.00 0.00 O ATOM 891 CB ILE A 58 -0.647 -7.474 1.532 1.00 0.00 C ATOM 892 CG1 ILE A 58 0.121 -7.725 2.831 1.00 0.00 C ATOM 893 CG2 ILE A 58 -1.232 -6.078 1.521 1.00 0.00 C ATOM 894 CD1 ILE A 58 -0.726 -8.161 4.003 1.00 0.00 C ATOM 0 H ILE A 58 -0.609 -10.263 1.335 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.671 -8.236 1.858 1.00 0.00 H new ATOM 0 HB ILE A 58 0.073 -7.581 0.721 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.877 -8.488 2.646 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.649 -6.812 3.105 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.438 -5.349 1.684 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -1.705 -5.889 0.557 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.975 -5.989 2.314 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.090 -8.313 4.875 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -1.466 -7.392 4.223 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.234 -9.093 3.758 1.00 0.00 H new ATOM 906 N ARG A 59 -3.226 -8.903 -0.606 1.00 0.00 N ATOM 907 CA ARG A 59 -3.520 -8.979 -2.025 1.00 0.00 C ATOM 908 C ARG A 59 -4.644 -8.055 -2.499 1.00 0.00 C ATOM 909 O ARG A 59 -4.961 -7.952 -3.687 1.00 0.00 O ATOM 910 CB ARG A 59 -3.844 -10.432 -2.428 1.00 0.00 C ATOM 911 CG ARG A 59 -3.896 -11.423 -1.264 1.00 0.00 C ATOM 912 CD ARG A 59 -3.161 -12.715 -1.595 1.00 0.00 C ATOM 913 NE ARG A 59 -4.071 -13.831 -1.853 1.00 0.00 N ATOM 914 CZ ARG A 59 -4.274 -14.365 -3.057 1.00 0.00 C ATOM 915 NH1 ARG A 59 -3.656 -13.873 -4.126 1.00 0.00 N ATOM 916 NH2 ARG A 59 -5.099 -15.394 -3.195 1.00 0.00 N ATOM 0 H ARG A 59 -3.991 -9.180 0.009 1.00 0.00 H new ATOM 0 HA ARG A 59 -2.615 -8.630 -2.521 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -4.805 -10.446 -2.942 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -3.095 -10.772 -3.143 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -3.453 -10.968 -0.378 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -4.935 -11.646 -1.022 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -2.530 -12.556 -2.470 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -2.500 -12.974 -0.768 1.00 0.00 H new ATOM 0 HE ARG A 59 -4.582 -14.225 -1.063 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -3.021 -13.081 -4.028 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -3.817 -14.288 -5.044 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -5.578 -15.777 -2.380 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -5.255 -15.803 -4.116 1.00 0.00 H new ATOM 930 N PHE A 60 -5.223 -7.372 -1.482 1.00 0.00 N ATOM 931 CA PHE A 60 -6.303 -6.417 -1.657 1.00 0.00 C ATOM 932 C PHE A 60 -6.198 -5.322 -0.640 1.00 0.00 C ATOM 933 O PHE A 60 -5.699 -5.500 0.476 1.00 0.00 O ATOM 934 CB PHE A 60 -7.671 -7.079 -1.535 1.00 0.00 C ATOM 935 CG PHE A 60 -7.816 -8.321 -2.352 1.00 0.00 C ATOM 936 CD1 PHE A 60 -7.464 -9.554 -1.833 1.00 0.00 C ATOM 937 CD2 PHE A 60 -8.309 -8.253 -3.637 1.00 0.00 C ATOM 938 CE1 PHE A 60 -7.602 -10.702 -2.586 1.00 0.00 C ATOM 939 CE2 PHE A 60 -8.451 -9.400 -4.398 1.00 0.00 C ATOM 940 CZ PHE A 60 -8.097 -10.625 -3.872 1.00 0.00 C ATOM 0 H PHE A 60 -4.936 -7.483 -0.509 1.00 0.00 H new ATOM 0 HA PHE A 60 -6.208 -6.005 -2.662 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -7.855 -7.321 -0.488 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -8.438 -6.365 -1.837 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -7.077 -9.619 -0.827 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -8.587 -7.296 -4.054 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -7.323 -11.659 -2.170 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -8.839 -9.336 -5.404 1.00 0.00 H new ATOM 0 HZ PHE A 60 -8.207 -11.521 -4.465 1.00 0.00 H new ATOM 950 N VAL A 61 -6.621 -4.172 -1.094 1.00 0.00 N ATOM 951 CA VAL A 61 -6.556 -2.957 -0.325 1.00 0.00 C ATOM 952 C VAL A 61 -7.940 -2.363 -0.038 1.00 0.00 C ATOM 953 O VAL A 61 -8.741 -2.145 -0.944 1.00 0.00 O ATOM 954 CB VAL A 61 -5.690 -1.918 -1.077 1.00 0.00 C ATOM 955 CG1 VAL A 61 -4.528 -2.566 -1.806 1.00 0.00 C ATOM 956 CG2 VAL A 61 -6.508 -1.066 -2.042 1.00 0.00 C ATOM 0 H VAL A 61 -7.026 -4.051 -2.022 1.00 0.00 H new ATOM 0 HA VAL A 61 -6.108 -3.205 0.637 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.286 -1.258 -0.310 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.948 -1.799 -2.320 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -3.891 -3.083 -1.088 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.909 -3.282 -2.535 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -5.853 -0.354 -2.544 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -6.981 -1.709 -2.784 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -7.276 -0.525 -1.489 1.00 0.00 H new ATOM 966 N TYR A 62 -8.225 -2.165 1.241 1.00 0.00 N ATOM 967 CA TYR A 62 -9.503 -1.649 1.684 1.00 0.00 C ATOM 968 C TYR A 62 -9.427 -0.168 2.054 1.00 0.00 C ATOM 969 O TYR A 62 -8.868 0.212 3.088 1.00 0.00 O ATOM 970 CB TYR A 62 -10.008 -2.474 2.868 1.00 0.00 C ATOM 971 CG TYR A 62 -10.235 -3.935 2.535 1.00 0.00 C ATOM 972 CD1 TYR A 62 -9.227 -4.716 1.965 1.00 0.00 C ATOM 973 CD2 TYR A 62 -11.459 -4.538 2.793 1.00 0.00 C ATOM 974 CE1 TYR A 62 -9.441 -6.047 1.668 1.00 0.00 C ATOM 975 CE2 TYR A 62 -11.678 -5.870 2.497 1.00 0.00 C ATOM 976 CZ TYR A 62 -10.667 -6.619 1.937 1.00 0.00 C ATOM 977 OH TYR A 62 -10.881 -7.947 1.643 1.00 0.00 O ATOM 0 H TYR A 62 -7.571 -2.360 2.000 1.00 0.00 H new ATOM 0 HA TYR A 62 -10.206 -1.734 0.855 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -9.288 -2.403 3.683 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -10.942 -2.043 3.229 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -8.266 -4.272 1.753 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -12.255 -3.955 3.233 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -8.652 -6.638 1.227 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -12.637 -6.321 2.704 1.00 0.00 H new ATOM 0 HH TYR A 62 -11.795 -8.195 1.895 1.00 0.00 H new ATOM 987 N THR A 63 -9.984 0.651 1.172 1.00 0.00 N ATOM 988 CA THR A 63 -10.030 2.117 1.312 1.00 0.00 C ATOM 989 C THR A 63 -11.464 2.584 1.549 1.00 0.00 C ATOM 990 O THR A 63 -12.344 2.283 0.748 1.00 0.00 O ATOM 991 CB THR A 63 -9.524 2.818 0.024 1.00 0.00 C ATOM 992 OG1 THR A 63 -10.311 3.960 -0.264 1.00 0.00 O ATOM 993 CG2 THR A 63 -9.593 1.964 -1.221 1.00 0.00 C ATOM 0 H THR A 63 -10.429 0.316 0.317 1.00 0.00 H new ATOM 0 HA THR A 63 -9.392 2.377 2.157 1.00 0.00 H new ATOM 0 HB THR A 63 -8.483 3.055 0.245 1.00 0.00 H new ATOM 0 HG1 THR A 63 -10.203 4.202 -1.207 1.00 0.00 H new ATOM 0 HG21 THR A 63 -9.220 2.532 -2.073 1.00 0.00 H new ATOM 0 HG22 THR A 63 -8.982 1.072 -1.085 1.00 0.00 H new ATOM 0 HG23 THR A 63 -10.627 1.671 -1.405 1.00 0.00 H new ATOM 1001 N PRO A 64 -11.730 3.355 2.626 1.00 0.00 N ATOM 1002 CA PRO A 64 -13.075 3.873 2.896 1.00 0.00 C ATOM 1003 C PRO A 64 -13.752 4.420 1.624 1.00 0.00 C ATOM 1004 O PRO A 64 -13.103 5.007 0.763 1.00 0.00 O ATOM 1005 CB PRO A 64 -12.819 5.004 3.881 1.00 0.00 C ATOM 1006 CG PRO A 64 -11.595 4.587 4.619 1.00 0.00 C ATOM 1007 CD PRO A 64 -10.756 3.800 3.643 1.00 0.00 C ATOM 0 HA PRO A 64 -13.745 3.100 3.272 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -12.668 5.952 3.366 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -13.663 5.140 4.557 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -11.049 5.455 4.988 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -11.853 3.980 5.487 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -9.970 4.415 3.204 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -10.267 2.954 4.126 1.00 0.00 H new ATOM 1015 N ALA A 65 -15.053 4.162 1.505 1.00 0.00 N ATOM 1016 CA ALA A 65 -15.838 4.555 0.362 1.00 0.00 C ATOM 1017 C ALA A 65 -16.659 5.819 0.612 1.00 0.00 C ATOM 1018 O ALA A 65 -17.882 5.753 0.746 1.00 0.00 O ATOM 1019 CB ALA A 65 -16.750 3.406 -0.051 1.00 0.00 C ATOM 0 H ALA A 65 -15.589 3.666 2.217 1.00 0.00 H new ATOM 0 HA ALA A 65 -15.143 4.789 -0.444 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -17.343 3.705 -0.915 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -16.146 2.536 -0.309 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -17.415 3.154 0.775 1.00 0.00 H new ATOM 1025 N MET A 66 -15.993 6.971 0.657 1.00 0.00 N ATOM 1026 CA MET A 66 -16.686 8.241 0.871 1.00 0.00 C ATOM 1027 C MET A 66 -16.045 9.369 0.062 1.00 0.00 C ATOM 1028 O MET A 66 -14.927 9.236 -0.426 1.00 0.00 O ATOM 1029 CB MET A 66 -16.705 8.603 2.357 1.00 0.00 C ATOM 1030 CG MET A 66 -17.757 7.847 3.156 1.00 0.00 C ATOM 1031 SD MET A 66 -19.424 8.056 2.498 1.00 0.00 S ATOM 1032 CE MET A 66 -19.498 9.834 2.296 1.00 0.00 C ATOM 0 H MET A 66 -14.982 7.052 0.549 1.00 0.00 H new ATOM 0 HA MET A 66 -17.713 8.117 0.526 1.00 0.00 H new ATOM 0 HB2 MET A 66 -15.723 8.401 2.784 1.00 0.00 H new ATOM 0 HB3 MET A 66 -16.883 9.673 2.459 1.00 0.00 H new ATOM 0 HG2 MET A 66 -17.506 6.786 3.165 1.00 0.00 H new ATOM 0 HG3 MET A 66 -17.735 8.189 4.191 1.00 0.00 H new ATOM 0 HE1 MET A 66 -20.509 10.183 2.509 1.00 0.00 H new ATOM 0 HE2 MET A 66 -18.798 10.308 2.984 1.00 0.00 H new ATOM 0 HE3 MET A 66 -19.233 10.095 1.272 1.00 0.00 H new ATOM 1042 N GLU A 67 -16.765 10.479 -0.077 1.00 0.00 N ATOM 1043 CA GLU A 67 -16.270 11.634 -0.823 1.00 0.00 C ATOM 1044 C GLU A 67 -15.258 12.427 0.003 1.00 0.00 C ATOM 1045 O GLU A 67 -15.482 12.693 1.184 1.00 0.00 O ATOM 1046 CB GLU A 67 -17.436 12.539 -1.229 1.00 0.00 C ATOM 1047 CG GLU A 67 -17.975 12.255 -2.622 1.00 0.00 C ATOM 1048 CD GLU A 67 -18.234 13.520 -3.416 1.00 0.00 C ATOM 1049 OE1 GLU A 67 -17.274 14.286 -3.645 1.00 0.00 O ATOM 1050 OE2 GLU A 67 -19.399 13.748 -3.809 1.00 0.00 O ATOM 0 H GLU A 67 -17.697 10.604 0.319 1.00 0.00 H new ATOM 0 HA GLU A 67 -15.770 11.269 -1.720 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -18.243 12.422 -0.506 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -17.112 13.578 -1.180 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -17.264 11.631 -3.162 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -18.901 11.686 -2.540 1.00 0.00 H new ATOM 1057 N SER A 68 -14.145 12.804 -0.625 1.00 0.00 N ATOM 1058 CA SER A 68 -13.098 13.567 0.054 1.00 0.00 C ATOM 1059 C SER A 68 -12.580 12.806 1.269 1.00 0.00 C ATOM 1060 O SER A 68 -12.224 13.400 2.288 1.00 0.00 O ATOM 1061 CB SER A 68 -13.631 14.936 0.482 1.00 0.00 C ATOM 1062 OG SER A 68 -12.626 15.696 1.130 1.00 0.00 O ATOM 0 H SER A 68 -13.945 12.594 -1.603 1.00 0.00 H new ATOM 0 HA SER A 68 -12.273 13.711 -0.644 1.00 0.00 H new ATOM 0 HB2 SER A 68 -13.994 15.477 -0.392 1.00 0.00 H new ATOM 0 HB3 SER A 68 -14.481 14.805 1.152 1.00 0.00 H new ATOM 0 HG SER A 68 -12.197 15.149 1.821 1.00 0.00 H new ATOM 1068 N VAL A 69 -12.561 11.484 1.154 1.00 0.00 N ATOM 1069 CA VAL A 69 -12.111 10.616 2.237 1.00 0.00 C ATOM 1070 C VAL A 69 -10.653 10.211 2.089 1.00 0.00 C ATOM 1071 O VAL A 69 -10.058 10.347 1.020 1.00 0.00 O ATOM 1072 CB VAL A 69 -12.969 9.328 2.295 1.00 0.00 C ATOM 1073 CG1 VAL A 69 -12.693 8.410 1.107 1.00 0.00 C ATOM 1074 CG2 VAL A 69 -12.757 8.587 3.606 1.00 0.00 C ATOM 0 H VAL A 69 -12.855 10.985 0.314 1.00 0.00 H new ATOM 0 HA VAL A 69 -12.222 11.192 3.156 1.00 0.00 H new ATOM 0 HB VAL A 69 -14.013 9.635 2.240 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -13.314 7.518 1.185 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -12.925 8.935 0.180 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -11.642 8.121 1.107 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -13.372 7.687 3.619 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -11.707 8.311 3.702 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -13.040 9.232 4.438 1.00 0.00 H new ATOM 1084 N CYS A 70 -10.107 9.652 3.161 1.00 0.00 N ATOM 1085 CA CYS A 70 -8.748 9.149 3.143 1.00 0.00 C ATOM 1086 C CYS A 70 -8.836 7.679 2.809 1.00 0.00 C ATOM 1087 O CYS A 70 -8.645 6.816 3.665 1.00 0.00 O ATOM 1088 CB CYS A 70 -8.030 9.341 4.491 1.00 0.00 C ATOM 1089 SG CYS A 70 -9.115 9.273 5.961 1.00 0.00 S ATOM 0 H CYS A 70 -10.588 9.537 4.053 1.00 0.00 H new ATOM 0 HA CYS A 70 -8.164 9.702 2.408 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -7.262 8.574 4.589 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -7.519 10.304 4.479 1.00 0.00 H new ATOM 0 HG CYS A 70 -9.706 8.116 6.011 1.00 0.00 H new ATOM 1094 N GLY A 71 -9.147 7.399 1.553 1.00 0.00 N ATOM 1095 CA GLY A 71 -9.273 6.047 1.124 1.00 0.00 C ATOM 1096 C GLY A 71 -8.236 5.686 0.111 1.00 0.00 C ATOM 1097 O GLY A 71 -7.232 5.052 0.445 1.00 0.00 O ATOM 0 H GLY A 71 -9.313 8.098 0.829 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -9.187 5.383 1.984 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -10.265 5.892 0.700 1.00 0.00 H new ATOM 1101 N TYR A 72 -8.461 6.078 -1.131 1.00 0.00 N ATOM 1102 CA TYR A 72 -7.504 5.759 -2.151 1.00 0.00 C ATOM 1103 C TYR A 72 -7.731 6.532 -3.428 1.00 0.00 C ATOM 1104 O TYR A 72 -8.839 6.974 -3.746 1.00 0.00 O ATOM 1105 CB TYR A 72 -7.513 4.267 -2.414 1.00 0.00 C ATOM 1106 CG TYR A 72 -6.164 3.738 -2.831 1.00 0.00 C ATOM 1107 CD1 TYR A 72 -5.050 4.010 -2.052 1.00 0.00 C ATOM 1108 CD2 TYR A 72 -5.995 2.964 -3.971 1.00 0.00 C ATOM 1109 CE1 TYR A 72 -3.804 3.535 -2.394 1.00 0.00 C ATOM 1110 CE2 TYR A 72 -4.747 2.480 -4.320 1.00 0.00 C ATOM 1111 CZ TYR A 72 -3.655 2.769 -3.528 1.00 0.00 C ATOM 1112 OH TYR A 72 -2.411 2.294 -3.871 1.00 0.00 O ATOM 0 H TYR A 72 -9.278 6.603 -1.443 1.00 0.00 H new ATOM 0 HA TYR A 72 -6.522 6.058 -1.783 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -7.840 3.746 -1.514 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -8.242 4.045 -3.193 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -5.162 4.607 -1.159 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -6.848 2.737 -4.593 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -2.948 3.762 -1.776 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -4.628 1.878 -5.209 1.00 0.00 H new ATOM 0 HH TYR A 72 -2.162 2.637 -4.755 1.00 0.00 H new ATOM 1122 N PHE A 73 -6.651 6.640 -4.170 1.00 0.00 N ATOM 1123 CA PHE A 73 -6.628 7.301 -5.453 1.00 0.00 C ATOM 1124 C PHE A 73 -5.708 6.525 -6.380 1.00 0.00 C ATOM 1125 O PHE A 73 -4.534 6.857 -6.547 1.00 0.00 O ATOM 1126 CB PHE A 73 -6.147 8.740 -5.315 1.00 0.00 C ATOM 1127 CG PHE A 73 -7.263 9.720 -5.103 1.00 0.00 C ATOM 1128 CD1 PHE A 73 -8.130 10.034 -6.131 1.00 0.00 C ATOM 1129 CD2 PHE A 73 -7.445 10.323 -3.873 1.00 0.00 C ATOM 1130 CE1 PHE A 73 -9.162 10.933 -5.936 1.00 0.00 C ATOM 1131 CE2 PHE A 73 -8.473 11.221 -3.667 1.00 0.00 C ATOM 1132 CZ PHE A 73 -9.334 11.526 -4.700 1.00 0.00 C ATOM 0 H PHE A 73 -5.746 6.262 -3.891 1.00 0.00 H new ATOM 0 HA PHE A 73 -7.637 7.328 -5.864 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -5.452 8.805 -4.478 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -5.593 9.018 -6.212 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -8.000 9.572 -7.099 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -6.773 10.088 -3.061 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -9.833 11.171 -6.748 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -8.603 11.683 -2.700 1.00 0.00 H new ATOM 0 HZ PHE A 73 -10.141 12.227 -4.543 1.00 0.00 H new ATOM 1142 N HIS A 74 -6.251 5.460 -6.947 1.00 0.00 N ATOM 1143 CA HIS A 74 -5.493 4.593 -7.826 1.00 0.00 C ATOM 1144 C HIS A 74 -5.786 4.875 -9.293 1.00 0.00 C ATOM 1145 O HIS A 74 -6.833 4.511 -9.829 1.00 0.00 O ATOM 1146 CB HIS A 74 -5.788 3.150 -7.419 1.00 0.00 C ATOM 1147 CG HIS A 74 -5.533 2.109 -8.469 1.00 0.00 C ATOM 1148 ND1 HIS A 74 -6.484 1.184 -8.849 1.00 0.00 N ATOM 1149 CD2 HIS A 74 -4.434 1.834 -9.207 1.00 0.00 C ATOM 1150 CE1 HIS A 74 -5.983 0.389 -9.772 1.00 0.00 C ATOM 1151 NE2 HIS A 74 -4.741 0.763 -10.007 1.00 0.00 N ATOM 0 H HIS A 74 -7.221 5.176 -6.811 1.00 0.00 H new ATOM 0 HA HIS A 74 -4.425 4.782 -7.720 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -5.186 2.910 -6.543 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -6.833 3.085 -7.116 1.00 0.00 H new ATOM 0 HD1 HIS A 74 -7.430 1.125 -8.473 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -3.491 2.359 -9.173 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -6.500 -0.428 -10.253 1.00 0.00 H new ATOM 1160 N ARG A 75 -4.837 5.568 -9.916 1.00 0.00 N ATOM 1161 CA ARG A 75 -4.938 5.971 -11.311 1.00 0.00 C ATOM 1162 C ARG A 75 -4.045 5.119 -12.209 1.00 0.00 C ATOM 1163 O ARG A 75 -3.729 5.513 -13.331 1.00 0.00 O ATOM 1164 CB ARG A 75 -4.530 7.441 -11.432 1.00 0.00 C ATOM 1165 CG ARG A 75 -5.595 8.442 -10.991 1.00 0.00 C ATOM 1166 CD ARG A 75 -6.373 8.002 -9.757 1.00 0.00 C ATOM 1167 NE ARG A 75 -7.767 8.434 -9.813 1.00 0.00 N ATOM 1168 CZ ARG A 75 -8.174 9.678 -9.564 1.00 0.00 C ATOM 1169 NH1 ARG A 75 -7.302 10.612 -9.207 1.00 0.00 N ATOM 1170 NH2 ARG A 75 -9.459 9.988 -9.670 1.00 0.00 N ATOM 0 H ARG A 75 -3.973 5.866 -9.463 1.00 0.00 H new ATOM 0 HA ARG A 75 -5.969 5.831 -11.637 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -3.631 7.604 -10.837 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -4.267 7.646 -12.470 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -5.118 9.401 -10.787 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -6.293 8.602 -11.812 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -6.332 6.916 -9.669 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -5.901 8.412 -8.864 1.00 0.00 H new ATOM 0 HE ARG A 75 -8.473 7.740 -10.058 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -6.312 10.380 -9.122 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -7.621 11.562 -9.018 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -10.135 9.274 -9.942 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -9.771 10.940 -9.480 1.00 0.00 H new ATOM 1184 N SER A 76 -3.630 3.957 -11.713 1.00 0.00 N ATOM 1185 CA SER A 76 -2.764 3.075 -12.487 1.00 0.00 C ATOM 1186 C SER A 76 -3.107 1.602 -12.276 1.00 0.00 C ATOM 1187 O SER A 76 -2.541 0.948 -11.403 1.00 0.00 O ATOM 1188 CB SER A 76 -1.295 3.313 -12.119 1.00 0.00 C ATOM 1189 OG SER A 76 -0.795 4.487 -12.738 1.00 0.00 O ATOM 0 H SER A 76 -3.877 3.607 -10.787 1.00 0.00 H new ATOM 0 HA SER A 76 -2.926 3.312 -13.539 1.00 0.00 H new ATOM 0 HB2 SER A 76 -1.198 3.400 -11.037 1.00 0.00 H new ATOM 0 HB3 SER A 76 -0.697 2.455 -12.425 1.00 0.00 H new ATOM 0 HG SER A 76 -1.536 4.984 -13.144 1.00 0.00 H new ATOM 1195 N HIS A 77 -4.005 1.067 -13.104 1.00 0.00 N ATOM 1196 CA HIS A 77 -4.376 -0.349 -13.020 1.00 0.00 C ATOM 1197 C HIS A 77 -3.331 -1.199 -13.743 1.00 0.00 C ATOM 1198 O HIS A 77 -3.631 -2.227 -14.350 1.00 0.00 O ATOM 1199 CB HIS A 77 -5.767 -0.594 -13.605 1.00 0.00 C ATOM 1200 CG HIS A 77 -5.926 -0.121 -15.016 1.00 0.00 C ATOM 1201 ND1 HIS A 77 -5.465 0.987 -15.643 1.00 0.00 N flip ATOM 1202 CD2 HIS A 77 -6.647 -0.817 -15.961 1.00 0.00 C flip ATOM 1203 CE1 HIS A 77 -5.910 0.940 -16.936 1.00 0.00 C flip ATOM 1204 NE2 HIS A 77 -6.620 -0.158 -17.104 1.00 0.00 N flip ATOM 0 H HIS A 77 -4.487 1.588 -13.837 1.00 0.00 H new ATOM 0 HA HIS A 77 -4.407 -0.636 -11.969 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -5.984 -1.661 -13.564 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -6.506 -0.094 -12.979 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -7.155 -1.755 -15.793 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -5.712 1.682 -17.695 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -7.072 -0.449 -17.971 1.00 0.00 H new ATOM 1213 N ASN A 78 -2.100 -0.711 -13.680 1.00 0.00 N ATOM 1214 CA ASN A 78 -0.994 -1.376 -14.345 1.00 0.00 C ATOM 1215 C ASN A 78 -0.767 -2.764 -13.763 1.00 0.00 C ATOM 1216 O ASN A 78 -0.403 -2.914 -12.595 1.00 0.00 O ATOM 1217 CB ASN A 78 0.281 -0.537 -14.282 1.00 0.00 C ATOM 1218 CG ASN A 78 1.116 -0.693 -15.542 1.00 0.00 C ATOM 1219 OD1 ASN A 78 1.820 -1.690 -15.717 1.00 0.00 O ATOM 1220 ND2 ASN A 78 1.037 0.289 -16.432 1.00 0.00 N ATOM 0 H ASN A 78 -1.845 0.139 -13.177 1.00 0.00 H new ATOM 0 HA ASN A 78 -1.259 -1.490 -15.396 1.00 0.00 H new ATOM 0 HB2 ASN A 78 0.020 0.512 -14.145 1.00 0.00 H new ATOM 0 HB3 ASN A 78 0.871 -0.835 -13.415 1.00 0.00 H new ATOM 0 HD21 ASN A 78 1.571 0.235 -17.299 1.00 0.00 H new ATOM 0 HD22 ASN A 78 0.442 1.097 -16.248 1.00 0.00 H new ATOM 1227 N ARG A 79 -1.014 -3.787 -14.585 1.00 0.00 N ATOM 1228 CA ARG A 79 -0.887 -5.183 -14.174 1.00 0.00 C ATOM 1229 C ARG A 79 0.571 -5.631 -14.117 1.00 0.00 C ATOM 1230 O ARG A 79 0.915 -6.528 -13.351 1.00 0.00 O ATOM 1231 CB ARG A 79 -1.675 -6.084 -15.135 1.00 0.00 C ATOM 1232 CG ARG A 79 -3.185 -5.895 -15.061 1.00 0.00 C ATOM 1233 CD ARG A 79 -3.813 -6.823 -14.039 1.00 0.00 C ATOM 1234 NE ARG A 79 -5.139 -7.287 -14.447 1.00 0.00 N ATOM 1235 CZ ARG A 79 -5.487 -8.570 -14.534 1.00 0.00 C ATOM 1236 NH1 ARG A 79 -4.618 -9.527 -14.229 1.00 0.00 N ATOM 1237 NH2 ARG A 79 -6.711 -8.899 -14.925 1.00 0.00 N ATOM 0 H ARG A 79 -1.308 -3.668 -15.555 1.00 0.00 H new ATOM 0 HA ARG A 79 -1.297 -5.270 -13.168 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -1.344 -5.888 -16.155 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -1.438 -7.125 -14.917 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -3.411 -4.861 -14.802 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -3.624 -6.081 -16.041 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -3.162 -7.683 -13.885 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -3.890 -6.306 -13.082 1.00 0.00 H new ATOM 0 HE ARG A 79 -5.841 -6.584 -14.679 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -3.676 -9.282 -13.925 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -4.893 -10.507 -14.298 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -7.385 -8.170 -15.159 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -6.978 -9.881 -14.992 1.00 0.00 H new ATOM 1251 N SER A 80 1.419 -4.998 -14.918 1.00 0.00 N ATOM 1252 CA SER A 80 2.848 -5.318 -14.946 1.00 0.00 C ATOM 1253 C SER A 80 3.636 -4.238 -14.202 1.00 0.00 C ATOM 1254 O SER A 80 4.780 -4.511 -13.831 1.00 0.00 O ATOM 1255 CB SER A 80 3.339 -5.365 -16.392 1.00 0.00 C ATOM 1256 OG SER A 80 3.233 -6.667 -16.936 1.00 0.00 O ATOM 0 H SER A 80 1.144 -4.256 -15.561 1.00 0.00 H new ATOM 0 HA SER A 80 2.999 -6.286 -14.468 1.00 0.00 H new ATOM 0 HB2 SER A 80 2.758 -4.669 -16.997 1.00 0.00 H new ATOM 0 HB3 SER A 80 4.377 -5.035 -16.435 1.00 0.00 H new ATOM 0 HG SER A 80 3.554 -6.662 -17.862 1.00 0.00 H new ATOM 1262 N GLU A 81 3.098 -3.056 -13.926 1.00 0.00 N ATOM 1263 CA GLU A 81 3.890 -2.059 -13.202 1.00 0.00 C ATOM 1264 C GLU A 81 3.888 -2.275 -11.681 1.00 0.00 C ATOM 1265 O GLU A 81 2.834 -2.283 -11.043 1.00 0.00 O ATOM 1266 CB GLU A 81 3.409 -0.649 -13.533 1.00 0.00 C ATOM 1267 CG GLU A 81 4.513 0.393 -13.551 1.00 0.00 C ATOM 1268 CD GLU A 81 4.077 1.686 -14.213 1.00 0.00 C ATOM 1269 OE1 GLU A 81 3.121 2.314 -13.713 1.00 0.00 O ATOM 1270 OE2 GLU A 81 4.689 2.068 -15.232 1.00 0.00 O ATOM 0 H GLU A 81 2.153 -2.767 -14.179 1.00 0.00 H new ATOM 0 HA GLU A 81 4.920 -2.182 -13.537 1.00 0.00 H new ATOM 0 HB2 GLU A 81 2.921 -0.662 -14.507 1.00 0.00 H new ATOM 0 HB3 GLU A 81 2.656 -0.353 -12.803 1.00 0.00 H new ATOM 0 HG2 GLU A 81 4.830 0.600 -12.529 1.00 0.00 H new ATOM 0 HG3 GLU A 81 5.379 -0.008 -14.078 1.00 0.00 H new ATOM 1277 N GLU A 82 5.082 -2.397 -11.110 1.00 0.00 N ATOM 1278 CA GLU A 82 5.275 -2.584 -9.666 1.00 0.00 C ATOM 1279 C GLU A 82 4.835 -1.330 -8.917 1.00 0.00 C ATOM 1280 O GLU A 82 4.544 -0.306 -9.534 1.00 0.00 O ATOM 1281 CB GLU A 82 6.741 -2.889 -9.321 1.00 0.00 C ATOM 1282 CG GLU A 82 7.528 -3.585 -10.419 1.00 0.00 C ATOM 1283 CD GLU A 82 9.008 -3.673 -10.110 1.00 0.00 C ATOM 1284 OE1 GLU A 82 9.627 -2.615 -9.878 1.00 0.00 O ATOM 1285 OE2 GLU A 82 9.546 -4.800 -10.100 1.00 0.00 O ATOM 0 H GLU A 82 5.955 -2.369 -11.637 1.00 0.00 H new ATOM 0 HA GLU A 82 4.668 -3.437 -9.362 1.00 0.00 H new ATOM 0 HB2 GLU A 82 7.242 -1.953 -9.073 1.00 0.00 H new ATOM 0 HB3 GLU A 82 6.766 -3.511 -8.426 1.00 0.00 H new ATOM 0 HG2 GLU A 82 7.131 -4.590 -10.564 1.00 0.00 H new ATOM 0 HG3 GLU A 82 7.388 -3.048 -11.357 1.00 0.00 H new ATOM 1292 N PHE A 83 4.777 -1.405 -7.585 1.00 0.00 N ATOM 1293 CA PHE A 83 4.361 -0.266 -6.773 1.00 0.00 C ATOM 1294 C PHE A 83 4.893 -0.356 -5.333 1.00 0.00 C ATOM 1295 O PHE A 83 5.471 -1.358 -4.922 1.00 0.00 O ATOM 1296 CB PHE A 83 2.837 -0.104 -6.767 1.00 0.00 C ATOM 1297 CG PHE A 83 2.316 0.846 -7.819 1.00 0.00 C ATOM 1298 CD1 PHE A 83 2.222 2.204 -7.548 1.00 0.00 C ATOM 1299 CD2 PHE A 83 1.912 0.389 -9.066 1.00 0.00 C ATOM 1300 CE1 PHE A 83 1.741 3.085 -8.497 1.00 0.00 C ATOM 1301 CE2 PHE A 83 1.429 1.269 -10.019 1.00 0.00 C ATOM 1302 CZ PHE A 83 1.344 2.617 -9.734 1.00 0.00 C ATOM 0 H PHE A 83 5.013 -2.241 -7.050 1.00 0.00 H new ATOM 0 HA PHE A 83 4.799 0.618 -7.236 1.00 0.00 H new ATOM 0 HB2 PHE A 83 2.377 -1.081 -6.915 1.00 0.00 H new ATOM 0 HB3 PHE A 83 2.523 0.250 -5.785 1.00 0.00 H new ATOM 0 HD1 PHE A 83 2.529 2.577 -6.582 1.00 0.00 H new ATOM 0 HD2 PHE A 83 1.975 -0.665 -9.295 1.00 0.00 H new ATOM 0 HE1 PHE A 83 1.675 4.139 -8.272 1.00 0.00 H new ATOM 0 HE2 PHE A 83 1.119 0.901 -10.986 1.00 0.00 H new ATOM 0 HZ PHE A 83 0.968 3.304 -10.477 1.00 0.00 H new ATOM 1312 N LEU A 84 4.644 0.716 -4.587 1.00 0.00 N ATOM 1313 CA LEU A 84 5.035 0.825 -3.174 1.00 0.00 C ATOM 1314 C LEU A 84 3.771 1.072 -2.335 1.00 0.00 C ATOM 1315 O LEU A 84 3.032 2.021 -2.593 1.00 0.00 O ATOM 1316 CB LEU A 84 6.065 1.951 -2.996 1.00 0.00 C ATOM 1317 CG LEU A 84 6.732 2.051 -1.619 1.00 0.00 C ATOM 1318 CD1 LEU A 84 5.774 2.654 -0.606 1.00 0.00 C ATOM 1319 CD2 LEU A 84 7.228 0.691 -1.148 1.00 0.00 C ATOM 0 H LEU A 84 4.163 1.542 -4.942 1.00 0.00 H new ATOM 0 HA LEU A 84 5.506 -0.098 -2.837 1.00 0.00 H new ATOM 0 HB2 LEU A 84 6.846 1.822 -3.746 1.00 0.00 H new ATOM 0 HB3 LEU A 84 5.574 2.901 -3.208 1.00 0.00 H new ATOM 0 HG LEU A 84 7.597 2.708 -1.710 1.00 0.00 H new ATOM 0 HD11 LEU A 84 6.264 2.717 0.365 1.00 0.00 H new ATOM 0 HD12 LEU A 84 5.482 3.653 -0.931 1.00 0.00 H new ATOM 0 HD13 LEU A 84 4.887 2.025 -0.525 1.00 0.00 H new ATOM 0 HD21 LEU A 84 7.696 0.794 -0.169 1.00 0.00 H new ATOM 0 HD22 LEU A 84 6.387 0.001 -1.078 1.00 0.00 H new ATOM 0 HD23 LEU A 84 7.957 0.303 -1.860 1.00 0.00 H new ATOM 1331 N ILE A 85 3.497 0.180 -1.379 1.00 0.00 N ATOM 1332 CA ILE A 85 2.261 0.305 -0.587 1.00 0.00 C ATOM 1333 C ILE A 85 2.494 0.357 0.942 1.00 0.00 C ATOM 1334 O ILE A 85 2.701 -0.669 1.579 1.00 0.00 O ATOM 1335 CB ILE A 85 1.328 -0.875 -0.941 1.00 0.00 C ATOM 1336 CG1 ILE A 85 0.964 -0.826 -2.429 1.00 0.00 C ATOM 1337 CG2 ILE A 85 0.065 -0.867 -0.089 1.00 0.00 C ATOM 1338 CD1 ILE A 85 0.225 0.432 -2.834 1.00 0.00 C ATOM 0 H ILE A 85 4.090 -0.614 -1.136 1.00 0.00 H new ATOM 0 HA ILE A 85 1.808 1.262 -0.847 1.00 0.00 H new ATOM 0 HB ILE A 85 1.863 -1.801 -0.730 1.00 0.00 H new ATOM 0 HG12 ILE A 85 1.876 -0.907 -3.020 1.00 0.00 H new ATOM 0 HG13 ILE A 85 0.349 -1.692 -2.672 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -0.566 -1.711 -0.366 1.00 0.00 H new ATOM 0 HG22 ILE A 85 0.336 -0.947 0.964 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -0.479 0.063 -0.254 1.00 0.00 H new ATOM 0 HD11 ILE A 85 0.001 0.395 -3.900 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -0.705 0.505 -2.270 1.00 0.00 H new ATOM 0 HD13 ILE A 85 0.846 1.303 -2.624 1.00 0.00 H new ATOM 1350 N ALA A 86 2.310 1.555 1.514 1.00 0.00 N ATOM 1351 CA ALA A 86 2.344 1.755 2.984 1.00 0.00 C ATOM 1352 C ALA A 86 0.871 1.715 3.484 1.00 0.00 C ATOM 1353 O ALA A 86 0.062 2.564 3.112 1.00 0.00 O ATOM 1354 CB ALA A 86 3.017 3.070 3.344 1.00 0.00 C ATOM 0 H ALA A 86 2.135 2.409 0.985 1.00 0.00 H new ATOM 0 HA ALA A 86 2.930 0.972 3.465 1.00 0.00 H new ATOM 0 HB1 ALA A 86 3.027 3.189 4.427 1.00 0.00 H new ATOM 0 HB2 ALA A 86 4.041 3.069 2.969 1.00 0.00 H new ATOM 0 HB3 ALA A 86 2.466 3.896 2.893 1.00 0.00 H new ATOM 1360 N GLY A 87 0.554 0.737 4.363 1.00 0.00 N ATOM 1361 CA GLY A 87 -0.797 0.618 4.949 1.00 0.00 C ATOM 1362 C GLY A 87 -0.903 -0.479 6.031 1.00 0.00 C ATOM 1363 O GLY A 87 -0.221 -1.499 5.948 1.00 0.00 O ATOM 0 H GLY A 87 1.212 0.024 4.679 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -1.081 1.576 5.385 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -1.512 0.404 4.154 1.00 0.00 H new ATOM 1367 N LYS A 88 -1.763 -0.271 7.045 1.00 0.00 N ATOM 1368 CA LYS A 88 -1.959 -1.241 8.137 1.00 0.00 C ATOM 1369 C LYS A 88 -2.979 -2.314 7.746 1.00 0.00 C ATOM 1370 O LYS A 88 -3.615 -2.205 6.698 1.00 0.00 O ATOM 1371 CB LYS A 88 -2.429 -0.527 9.415 1.00 0.00 C ATOM 1372 CG LYS A 88 -1.441 0.492 9.973 1.00 0.00 C ATOM 1373 CD LYS A 88 -1.912 1.045 11.304 1.00 0.00 C ATOM 1374 CE LYS A 88 -0.748 1.442 12.199 1.00 0.00 C ATOM 1375 NZ LYS A 88 -1.099 2.582 13.090 1.00 0.00 N ATOM 0 H LYS A 88 -2.337 0.568 7.130 1.00 0.00 H new ATOM 0 HA LYS A 88 -1.000 -1.723 8.326 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -3.373 -0.023 9.207 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -2.630 -1.276 10.181 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -0.464 0.025 10.096 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -1.316 1.308 9.261 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -2.549 1.912 11.131 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -2.522 0.298 11.812 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -0.447 0.587 12.804 1.00 0.00 H new ATOM 0 HE3 LYS A 88 0.109 1.713 11.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -0.280 2.823 13.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -1.362 3.406 12.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -1.900 2.315 13.697 1.00 0.00 H new ATOM 1389 N LEU A 89 -3.151 -3.337 8.594 1.00 0.00 N ATOM 1390 CA LEU A 89 -4.099 -4.419 8.314 1.00 0.00 C ATOM 1391 C LEU A 89 -5.243 -4.488 9.335 1.00 0.00 C ATOM 1392 O LEU A 89 -5.018 -4.729 10.520 1.00 0.00 O ATOM 1393 CB LEU A 89 -3.368 -5.768 8.307 1.00 0.00 C ATOM 1394 CG LEU A 89 -2.862 -6.264 6.948 1.00 0.00 C ATOM 1395 CD1 LEU A 89 -2.411 -7.719 7.057 1.00 0.00 C ATOM 1396 CD2 LEU A 89 -3.927 -6.134 5.881 1.00 0.00 C ATOM 0 H LEU A 89 -2.647 -3.436 9.475 1.00 0.00 H new ATOM 0 HA LEU A 89 -4.533 -4.206 7.337 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -2.516 -5.698 8.983 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -4.040 -6.522 8.717 1.00 0.00 H new ATOM 0 HG LEU A 89 -2.015 -5.642 6.658 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -2.053 -8.063 6.086 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -1.607 -7.797 7.789 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -3.251 -8.337 7.374 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -3.535 -6.495 4.930 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -4.798 -6.726 6.162 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -4.216 -5.088 5.781 1.00 0.00 H new ATOM 1408 N GLN A 90 -6.470 -4.325 8.845 1.00 0.00 N ATOM 1409 CA GLN A 90 -7.639 -4.404 9.720 1.00 0.00 C ATOM 1410 C GLN A 90 -8.207 -5.819 9.705 1.00 0.00 C ATOM 1411 O GLN A 90 -8.674 -6.304 8.672 1.00 0.00 O ATOM 1412 CB GLN A 90 -8.687 -3.360 9.350 1.00 0.00 C ATOM 1413 CG GLN A 90 -8.647 -2.146 10.266 1.00 0.00 C ATOM 1414 CD GLN A 90 -9.160 -0.881 9.607 1.00 0.00 C ATOM 1415 OE1 GLN A 90 -8.406 -0.156 8.958 1.00 0.00 O ATOM 1416 NE2 GLN A 90 -10.445 -0.606 9.783 1.00 0.00 N ATOM 0 H GLN A 90 -6.680 -4.140 7.864 1.00 0.00 H new ATOM 0 HA GLN A 90 -7.327 -4.177 10.739 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -8.529 -3.040 8.320 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -9.678 -3.812 9.394 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -9.242 -2.351 11.156 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -7.622 -1.984 10.599 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -11.031 -1.237 10.329 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -10.847 0.237 9.372 1.00 0.00 H new ATOM 1425 N ASP A 91 -8.174 -6.456 10.879 1.00 0.00 N ATOM 1426 CA ASP A 91 -8.693 -7.824 11.041 1.00 0.00 C ATOM 1427 C ASP A 91 -8.326 -8.705 9.851 1.00 0.00 C ATOM 1428 O ASP A 91 -9.031 -9.663 9.525 1.00 0.00 O ATOM 1429 CB ASP A 91 -10.214 -7.790 11.203 1.00 0.00 C ATOM 1430 CG ASP A 91 -10.643 -7.361 12.591 1.00 0.00 C ATOM 1431 OD1 ASP A 91 -10.342 -6.211 12.976 1.00 0.00 O ATOM 1432 OD2 ASP A 91 -11.282 -8.172 13.292 1.00 0.00 O ATOM 0 H ASP A 91 -7.794 -6.049 11.734 1.00 0.00 H new ATOM 0 HA ASP A 91 -8.236 -8.250 11.934 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -10.639 -7.106 10.468 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -10.620 -8.779 10.991 1.00 0.00 H new ATOM 1437 N GLY A 92 -7.227 -8.356 9.200 1.00 0.00 N ATOM 1438 CA GLY A 92 -6.785 -9.098 8.046 1.00 0.00 C ATOM 1439 C GLY A 92 -6.575 -8.204 6.839 1.00 0.00 C ATOM 1440 O GLY A 92 -5.571 -8.305 6.143 1.00 0.00 O ATOM 0 H GLY A 92 -6.633 -7.567 9.455 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -5.854 -9.613 8.282 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -7.521 -9.865 7.805 1.00 0.00 H new ATOM 1444 N LEU A 93 -7.622 -7.433 6.516 1.00 0.00 N ATOM 1445 CA LEU A 93 -7.663 -6.613 5.303 1.00 0.00 C ATOM 1446 C LEU A 93 -6.778 -5.378 5.365 1.00 0.00 C ATOM 1447 O LEU A 93 -6.693 -4.693 6.378 1.00 0.00 O ATOM 1448 CB LEU A 93 -9.113 -6.184 5.032 1.00 0.00 C ATOM 1449 CG LEU A 93 -10.143 -7.320 4.956 1.00 0.00 C ATOM 1450 CD1 LEU A 93 -9.624 -8.481 4.119 1.00 0.00 C ATOM 1451 CD2 LEU A 93 -10.530 -7.798 6.350 1.00 0.00 C ATOM 0 H LEU A 93 -8.463 -7.362 7.089 1.00 0.00 H new ATOM 0 HA LEU A 93 -7.274 -7.233 4.495 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -9.420 -5.493 5.817 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -9.139 -5.632 4.093 1.00 0.00 H new ATOM 0 HG LEU A 93 -11.034 -6.924 4.468 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -10.376 -9.269 4.084 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -9.414 -8.135 3.107 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -8.710 -8.871 4.566 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -11.261 -8.603 6.269 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -9.644 -8.163 6.868 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -10.963 -6.970 6.911 1.00 0.00 H new ATOM 1463 N LEU A 94 -6.092 -5.150 4.246 1.00 0.00 N ATOM 1464 CA LEU A 94 -5.147 -4.042 4.098 1.00 0.00 C ATOM 1465 C LEU A 94 -5.800 -2.698 3.856 1.00 0.00 C ATOM 1466 O LEU A 94 -6.474 -2.496 2.854 1.00 0.00 O ATOM 1467 CB LEU A 94 -4.191 -4.303 2.935 1.00 0.00 C ATOM 1468 CG LEU A 94 -3.174 -3.185 2.702 1.00 0.00 C ATOM 1469 CD1 LEU A 94 -2.174 -3.141 3.844 1.00 0.00 C ATOM 1470 CD2 LEU A 94 -2.470 -3.355 1.365 1.00 0.00 C ATOM 0 H LEU A 94 -6.176 -5.731 3.412 1.00 0.00 H new ATOM 0 HA LEU A 94 -4.622 -3.996 5.052 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -3.656 -5.234 3.120 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -4.773 -4.446 2.025 1.00 0.00 H new ATOM 0 HG LEU A 94 -3.707 -2.235 2.673 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -1.455 -2.341 3.667 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -2.700 -2.956 4.781 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -1.649 -4.094 3.905 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -1.753 -2.546 1.226 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -1.947 -4.311 1.348 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -3.205 -3.330 0.561 1.00 0.00 H new ATOM 1482 N HIS A 95 -5.613 -1.780 4.790 1.00 0.00 N ATOM 1483 CA HIS A 95 -6.203 -0.461 4.655 1.00 0.00 C ATOM 1484 C HIS A 95 -5.181 0.563 4.166 1.00 0.00 C ATOM 1485 O HIS A 95 -4.026 0.574 4.589 1.00 0.00 O ATOM 1486 CB HIS A 95 -6.852 -0.026 5.960 1.00 0.00 C ATOM 1487 CG HIS A 95 -8.045 -0.856 6.307 1.00 0.00 C ATOM 1488 ND1 HIS A 95 -8.181 -2.194 6.440 1.00 0.00 N flip ATOM 1489 CD2 HIS A 95 -9.295 -0.323 6.535 1.00 0.00 C flip ATOM 1490 CE1 HIS A 95 -9.498 -2.444 6.739 1.00 0.00 C flip ATOM 1491 NE2 HIS A 95 -10.149 -1.299 6.793 1.00 0.00 N flip ATOM 0 H HIS A 95 -5.065 -1.921 5.638 1.00 0.00 H new ATOM 0 HA HIS A 95 -6.984 -0.518 3.896 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -6.121 -0.091 6.766 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -7.150 1.020 5.884 1.00 0.00 H new ATOM 0 HD1 HIS A 95 -7.442 -2.890 6.337 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -9.539 0.729 6.507 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -9.930 -3.420 6.903 1.00 0.00 H new ATOM 1500 N ILE A 96 -5.646 1.448 3.287 1.00 0.00 N ATOM 1501 CA ILE A 96 -4.818 2.505 2.728 1.00 0.00 C ATOM 1502 C ILE A 96 -5.586 3.819 2.774 1.00 0.00 C ATOM 1503 O ILE A 96 -6.815 3.830 2.704 1.00 0.00 O ATOM 1504 CB ILE A 96 -4.374 2.220 1.272 1.00 0.00 C ATOM 1505 CG1 ILE A 96 -5.586 2.034 0.352 1.00 0.00 C ATOM 1506 CG2 ILE A 96 -3.459 1.002 1.211 1.00 0.00 C ATOM 1507 CD1 ILE A 96 -6.383 0.777 0.626 1.00 0.00 C ATOM 0 H ILE A 96 -6.607 1.450 2.945 1.00 0.00 H new ATOM 0 HA ILE A 96 -3.913 2.560 3.333 1.00 0.00 H new ATOM 0 HB ILE A 96 -3.813 3.085 0.919 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -6.243 2.898 0.455 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -5.244 2.016 -0.683 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -3.161 0.822 0.178 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -2.572 1.182 1.819 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -3.989 0.129 1.593 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -7.222 0.720 -0.067 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -5.743 -0.096 0.493 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -6.758 0.800 1.649 1.00 0.00 H new ATOM 1519 N THR A 97 -4.863 4.922 2.894 1.00 0.00 N ATOM 1520 CA THR A 97 -5.486 6.227 2.964 1.00 0.00 C ATOM 1521 C THR A 97 -4.743 7.235 2.095 1.00 0.00 C ATOM 1522 O THR A 97 -3.515 7.259 2.065 1.00 0.00 O ATOM 1523 CB THR A 97 -5.506 6.708 4.411 1.00 0.00 C ATOM 1524 OG1 THR A 97 -4.247 6.495 5.023 1.00 0.00 O ATOM 1525 CG2 THR A 97 -6.550 6.020 5.265 1.00 0.00 C ATOM 0 H THR A 97 -3.844 4.935 2.945 1.00 0.00 H new ATOM 0 HA THR A 97 -6.507 6.142 2.591 1.00 0.00 H new ATOM 0 HB THR A 97 -5.751 7.769 4.356 1.00 0.00 H new ATOM 0 HG1 THR A 97 -4.277 6.810 5.950 1.00 0.00 H new ATOM 0 HG21 THR A 97 -6.506 6.413 6.281 1.00 0.00 H new ATOM 0 HG22 THR A 97 -7.540 6.204 4.848 1.00 0.00 H new ATOM 0 HG23 THR A 97 -6.357 4.947 5.282 1.00 0.00 H new ATOM 1533 N THR A 98 -5.495 8.093 1.412 1.00 0.00 N ATOM 1534 CA THR A 98 -4.904 9.129 0.567 1.00 0.00 C ATOM 1535 C THR A 98 -3.979 10.063 1.370 1.00 0.00 C ATOM 1536 O THR A 98 -3.352 10.965 0.815 1.00 0.00 O ATOM 1537 CB THR A 98 -6.014 9.915 -0.125 1.00 0.00 C ATOM 1538 OG1 THR A 98 -6.832 10.594 0.812 1.00 0.00 O ATOM 1539 CG2 THR A 98 -6.907 9.017 -0.947 1.00 0.00 C ATOM 0 H THR A 98 -6.515 8.092 1.426 1.00 0.00 H new ATOM 0 HA THR A 98 -4.283 8.647 -0.188 1.00 0.00 H new ATOM 0 HB THR A 98 -5.512 10.633 -0.774 1.00 0.00 H new ATOM 0 HG1 THR A 98 -7.532 11.089 0.337 1.00 0.00 H new ATOM 0 HG21 THR A 98 -7.684 9.614 -1.423 1.00 0.00 H new ATOM 0 HG22 THR A 98 -6.314 8.516 -1.712 1.00 0.00 H new ATOM 0 HG23 THR A 98 -7.368 8.271 -0.300 1.00 0.00 H new ATOM 1547 N CYS A 99 -3.886 9.811 2.676 1.00 0.00 N ATOM 1548 CA CYS A 99 -3.008 10.578 3.555 1.00 0.00 C ATOM 1549 C CYS A 99 -1.929 9.637 4.103 1.00 0.00 C ATOM 1550 O CYS A 99 -1.344 9.878 5.160 1.00 0.00 O ATOM 1551 CB CYS A 99 -3.812 11.181 4.717 1.00 0.00 C ATOM 1552 SG CYS A 99 -4.737 12.697 4.310 1.00 0.00 S ATOM 0 H CYS A 99 -4.412 9.076 3.149 1.00 0.00 H new ATOM 0 HA CYS A 99 -2.549 11.393 2.996 1.00 0.00 H new ATOM 0 HB2 CYS A 99 -4.515 10.431 5.080 1.00 0.00 H new ATOM 0 HB3 CYS A 99 -3.128 11.400 5.537 1.00 0.00 H new ATOM 1557 N SER A 100 -1.658 8.577 3.334 1.00 0.00 N ATOM 1558 CA SER A 100 -0.657 7.557 3.667 1.00 0.00 C ATOM 1559 C SER A 100 0.395 7.488 2.559 1.00 0.00 C ATOM 1560 O SER A 100 0.144 7.951 1.449 1.00 0.00 O ATOM 1561 CB SER A 100 -1.309 6.186 3.837 1.00 0.00 C ATOM 1562 OG SER A 100 -1.663 5.950 5.189 1.00 0.00 O ATOM 0 H SER A 100 -2.135 8.401 2.450 1.00 0.00 H new ATOM 0 HA SER A 100 -0.185 7.835 4.609 1.00 0.00 H new ATOM 0 HB2 SER A 100 -2.198 6.123 3.209 1.00 0.00 H new ATOM 0 HB3 SER A 100 -0.623 5.410 3.497 1.00 0.00 H new ATOM 0 HG SER A 100 -2.589 6.234 5.339 1.00 0.00 H new ATOM 1568 N PHE A 101 1.577 6.930 2.842 1.00 0.00 N ATOM 1569 CA PHE A 101 2.610 6.839 1.813 1.00 0.00 C ATOM 1570 C PHE A 101 2.253 5.755 0.785 1.00 0.00 C ATOM 1571 O PHE A 101 2.355 4.568 1.078 1.00 0.00 O ATOM 1572 CB PHE A 101 3.984 6.543 2.421 1.00 0.00 C ATOM 1573 CG PHE A 101 5.122 6.840 1.482 1.00 0.00 C ATOM 1574 CD1 PHE A 101 5.321 6.069 0.347 1.00 0.00 C ATOM 1575 CD2 PHE A 101 5.986 7.894 1.730 1.00 0.00 C ATOM 1576 CE1 PHE A 101 6.363 6.342 -0.519 1.00 0.00 C ATOM 1577 CE2 PHE A 101 7.029 8.173 0.867 1.00 0.00 C ATOM 1578 CZ PHE A 101 7.217 7.396 -0.259 1.00 0.00 C ATOM 0 H PHE A 101 1.835 6.545 3.751 1.00 0.00 H new ATOM 0 HA PHE A 101 2.659 7.806 1.313 1.00 0.00 H new ATOM 0 HB2 PHE A 101 4.107 7.133 3.329 1.00 0.00 H new ATOM 0 HB3 PHE A 101 4.027 5.494 2.714 1.00 0.00 H new ATOM 0 HD1 PHE A 101 4.654 5.246 0.137 1.00 0.00 H new ATOM 0 HD2 PHE A 101 5.843 8.505 2.609 1.00 0.00 H new ATOM 0 HE1 PHE A 101 6.509 5.732 -1.398 1.00 0.00 H new ATOM 0 HE2 PHE A 101 7.696 8.997 1.073 1.00 0.00 H new ATOM 0 HZ PHE A 101 8.031 7.612 -0.935 1.00 0.00 H new ATOM 1588 N VAL A 102 1.824 6.151 -0.419 1.00 0.00 N ATOM 1589 CA VAL A 102 1.450 5.160 -1.441 1.00 0.00 C ATOM 1590 C VAL A 102 1.775 5.622 -2.865 1.00 0.00 C ATOM 1591 O VAL A 102 1.074 6.465 -3.426 1.00 0.00 O ATOM 1592 CB VAL A 102 -0.057 4.820 -1.372 1.00 0.00 C ATOM 1593 CG1 VAL A 102 -0.374 3.609 -2.237 1.00 0.00 C ATOM 1594 CG2 VAL A 102 -0.501 4.581 0.065 1.00 0.00 C ATOM 0 H VAL A 102 1.728 7.125 -0.708 1.00 0.00 H new ATOM 0 HA VAL A 102 2.046 4.275 -1.218 1.00 0.00 H new ATOM 0 HB VAL A 102 -0.611 5.676 -1.758 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -1.439 3.386 -2.175 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -0.108 3.822 -3.272 1.00 0.00 H new ATOM 0 HG13 VAL A 102 0.197 2.750 -1.884 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -1.565 4.344 0.083 1.00 0.00 H new ATOM 0 HG22 VAL A 102 0.063 3.749 0.486 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -0.319 5.479 0.656 1.00 0.00 H new ATOM 1604 N ALA A 103 2.845 5.065 -3.447 1.00 0.00 N ATOM 1605 CA ALA A 103 3.252 5.438 -4.815 1.00 0.00 C ATOM 1606 C ALA A 103 4.153 4.382 -5.480 1.00 0.00 C ATOM 1607 O ALA A 103 4.577 3.427 -4.834 1.00 0.00 O ATOM 1608 CB ALA A 103 3.957 6.786 -4.791 1.00 0.00 C ATOM 0 H ALA A 103 3.439 4.365 -3.003 1.00 0.00 H new ATOM 0 HA ALA A 103 2.344 5.500 -5.415 1.00 0.00 H new ATOM 0 HB1 ALA A 103 4.256 7.058 -5.803 1.00 0.00 H new ATOM 0 HB2 ALA A 103 3.280 7.544 -4.397 1.00 0.00 H new ATOM 0 HB3 ALA A 103 4.841 6.723 -4.156 1.00 0.00 H new ATOM 1614 N PRO A 104 4.451 4.542 -6.798 1.00 0.00 N ATOM 1615 CA PRO A 104 5.294 3.600 -7.557 1.00 0.00 C ATOM 1616 C PRO A 104 6.663 3.367 -7.008 1.00 0.00 C ATOM 1617 O PRO A 104 7.448 4.302 -6.849 1.00 0.00 O ATOM 1618 CB PRO A 104 5.531 4.300 -8.889 1.00 0.00 C ATOM 1619 CG PRO A 104 4.348 5.179 -9.062 1.00 0.00 C ATOM 1620 CD PRO A 104 3.976 5.643 -7.670 1.00 0.00 C ATOM 0 HA PRO A 104 4.783 2.637 -7.565 1.00 0.00 H new ATOM 0 HB2 PRO A 104 6.456 4.877 -8.875 1.00 0.00 H new ATOM 0 HB3 PRO A 104 5.615 3.582 -9.705 1.00 0.00 H new ATOM 0 HG2 PRO A 104 4.580 6.026 -9.708 1.00 0.00 H new ATOM 0 HG3 PRO A 104 3.524 4.639 -9.528 1.00 0.00 H new ATOM 0 HD2 PRO A 104 4.457 6.589 -7.420 1.00 0.00 H new ATOM 0 HD3 PRO A 104 2.901 5.797 -7.572 1.00 0.00 H new ATOM 1628 N TRP A 105 6.991 2.107 -6.801 1.00 0.00 N ATOM 1629 CA TRP A 105 8.310 1.740 -6.396 1.00 0.00 C ATOM 1630 C TRP A 105 9.249 2.356 -7.389 1.00 0.00 C ATOM 1631 O TRP A 105 10.219 3.022 -7.051 1.00 0.00 O ATOM 1632 CB TRP A 105 8.428 0.234 -6.533 1.00 0.00 C ATOM 1633 CG TRP A 105 9.658 -0.374 -5.985 1.00 0.00 C ATOM 1634 CD1 TRP A 105 10.552 -1.126 -6.676 1.00 0.00 C ATOM 1635 CD2 TRP A 105 10.112 -0.323 -4.637 1.00 0.00 C ATOM 1636 NE1 TRP A 105 11.541 -1.553 -5.842 1.00 0.00 N ATOM 1637 CE2 TRP A 105 11.297 -1.070 -4.580 1.00 0.00 C ATOM 1638 CE3 TRP A 105 9.636 0.284 -3.475 1.00 0.00 C ATOM 1639 CZ2 TRP A 105 12.015 -1.229 -3.402 1.00 0.00 C ATOM 1640 CZ3 TRP A 105 10.352 0.129 -2.306 1.00 0.00 C ATOM 1641 CH2 TRP A 105 11.530 -0.623 -2.278 1.00 0.00 C ATOM 0 H TRP A 105 6.348 1.323 -6.911 1.00 0.00 H new ATOM 0 HA TRP A 105 8.526 2.060 -5.377 1.00 0.00 H new ATOM 0 HB2 TRP A 105 7.570 -0.224 -6.040 1.00 0.00 H new ATOM 0 HB3 TRP A 105 8.361 -0.021 -7.591 1.00 0.00 H new ATOM 0 HD1 TRP A 105 10.489 -1.352 -7.730 1.00 0.00 H new ATOM 0 HE1 TRP A 105 12.333 -2.136 -6.111 1.00 0.00 H new ATOM 0 HE3 TRP A 105 8.725 0.864 -3.490 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 12.924 -1.811 -3.376 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 9.997 0.596 -1.399 1.00 0.00 H new ATOM 0 HH2 TRP A 105 12.068 -0.727 -1.348 1.00 0.00 H new ATOM 1652 N ASN A 106 8.934 2.069 -8.642 1.00 0.00 N ATOM 1653 CA ASN A 106 9.684 2.503 -9.794 1.00 0.00 C ATOM 1654 C ASN A 106 9.907 4.019 -9.882 1.00 0.00 C ATOM 1655 O ASN A 106 10.456 4.508 -10.867 1.00 0.00 O ATOM 1656 CB ASN A 106 9.025 2.003 -11.076 1.00 0.00 C ATOM 1657 CG ASN A 106 9.250 0.521 -11.300 1.00 0.00 C ATOM 1658 OD1 ASN A 106 10.378 0.081 -11.522 1.00 0.00 O ATOM 1659 ND2 ASN A 106 8.175 -0.255 -11.245 1.00 0.00 N ATOM 0 H ASN A 106 8.119 1.507 -8.886 1.00 0.00 H new ATOM 0 HA ASN A 106 10.674 2.063 -9.673 1.00 0.00 H new ATOM 0 HB2 ASN A 106 7.954 2.203 -11.033 1.00 0.00 H new ATOM 0 HB3 ASN A 106 9.420 2.560 -11.926 1.00 0.00 H new ATOM 0 HD21 ASN A 106 8.264 -1.261 -11.390 1.00 0.00 H new ATOM 0 HD22 ASN A 106 7.260 0.154 -11.058 1.00 0.00 H new ATOM 1666 N SER A 107 9.583 4.734 -8.823 1.00 0.00 N ATOM 1667 CA SER A 107 9.841 6.173 -8.762 1.00 0.00 C ATOM 1668 C SER A 107 10.785 6.458 -7.606 1.00 0.00 C ATOM 1669 O SER A 107 11.082 7.604 -7.267 1.00 0.00 O ATOM 1670 CB SER A 107 8.544 6.964 -8.601 1.00 0.00 C ATOM 1671 OG SER A 107 7.869 7.095 -9.839 1.00 0.00 O ATOM 0 H SER A 107 9.140 4.349 -7.989 1.00 0.00 H new ATOM 0 HA SER A 107 10.300 6.489 -9.699 1.00 0.00 H new ATOM 0 HB2 SER A 107 7.896 6.463 -7.881 1.00 0.00 H new ATOM 0 HB3 SER A 107 8.765 7.952 -8.197 1.00 0.00 H new ATOM 0 HG SER A 107 7.042 7.604 -9.708 1.00 0.00 H new ATOM 1677 N LEU A 108 11.197 5.369 -6.982 1.00 0.00 N ATOM 1678 CA LEU A 108 12.046 5.387 -5.827 1.00 0.00 C ATOM 1679 C LEU A 108 13.532 5.333 -6.123 1.00 0.00 C ATOM 1680 O LEU A 108 13.983 5.033 -7.231 1.00 0.00 O ATOM 1681 CB LEU A 108 11.686 4.198 -4.964 1.00 0.00 C ATOM 1682 CG LEU A 108 10.656 4.464 -3.878 1.00 0.00 C ATOM 1683 CD1 LEU A 108 9.247 4.278 -4.416 1.00 0.00 C ATOM 1684 CD2 LEU A 108 10.906 3.540 -2.703 1.00 0.00 C ATOM 0 H LEU A 108 10.938 4.429 -7.280 1.00 0.00 H new ATOM 0 HA LEU A 108 11.874 6.344 -5.333 1.00 0.00 H new ATOM 0 HB2 LEU A 108 11.311 3.404 -5.609 1.00 0.00 H new ATOM 0 HB3 LEU A 108 12.595 3.824 -4.494 1.00 0.00 H new ATOM 0 HG LEU A 108 10.752 5.497 -3.544 1.00 0.00 H new ATOM 0 HD11 LEU A 108 8.526 4.473 -3.622 1.00 0.00 H new ATOM 0 HD12 LEU A 108 9.077 4.972 -5.239 1.00 0.00 H new ATOM 0 HD13 LEU A 108 9.126 3.255 -4.773 1.00 0.00 H new ATOM 0 HD21 LEU A 108 10.167 3.732 -1.925 1.00 0.00 H new ATOM 0 HD22 LEU A 108 10.826 2.504 -3.032 1.00 0.00 H new ATOM 0 HD23 LEU A 108 11.905 3.719 -2.306 1.00 0.00 H new ATOM 1696 N SER A 109 14.251 5.604 -5.054 1.00 0.00 N ATOM 1697 CA SER A 109 15.692 5.590 -5.038 1.00 0.00 C ATOM 1698 C SER A 109 16.208 4.187 -5.038 1.00 0.00 C ATOM 1699 O SER A 109 16.001 3.431 -4.097 1.00 0.00 O ATOM 1700 CB SER A 109 16.236 6.291 -3.803 1.00 0.00 C ATOM 1701 OG SER A 109 15.401 7.362 -3.404 1.00 0.00 O ATOM 0 H SER A 109 13.837 5.845 -4.154 1.00 0.00 H new ATOM 0 HA SER A 109 16.024 6.114 -5.934 1.00 0.00 H new ATOM 0 HB2 SER A 109 16.326 5.574 -2.987 1.00 0.00 H new ATOM 0 HB3 SER A 109 17.238 6.667 -4.009 1.00 0.00 H new ATOM 0 HG SER A 109 15.777 7.791 -2.607 1.00 0.00 H new ATOM 1707 N LEU A 110 16.865 3.863 -6.121 1.00 0.00 N ATOM 1708 CA LEU A 110 17.478 2.564 -6.298 1.00 0.00 C ATOM 1709 C LEU A 110 18.019 2.031 -4.969 1.00 0.00 C ATOM 1710 O LEU A 110 18.065 0.822 -4.734 1.00 0.00 O ATOM 1711 CB LEU A 110 18.646 2.719 -7.273 1.00 0.00 C ATOM 1712 CG LEU A 110 19.737 3.743 -6.879 1.00 0.00 C ATOM 1713 CD1 LEU A 110 19.182 5.143 -6.646 1.00 0.00 C ATOM 1714 CD2 LEU A 110 20.537 3.273 -5.681 1.00 0.00 C ATOM 0 H LEU A 110 16.993 4.494 -6.912 1.00 0.00 H new ATOM 0 HA LEU A 110 16.733 1.865 -6.677 1.00 0.00 H new ATOM 0 HB2 LEU A 110 19.120 1.745 -7.397 1.00 0.00 H new ATOM 0 HB3 LEU A 110 18.244 3.004 -8.245 1.00 0.00 H new ATOM 0 HG LEU A 110 20.409 3.809 -7.734 1.00 0.00 H new ATOM 0 HD11 LEU A 110 19.995 5.816 -6.373 1.00 0.00 H new ATOM 0 HD12 LEU A 110 18.705 5.502 -7.558 1.00 0.00 H new ATOM 0 HD13 LEU A 110 18.449 5.114 -5.840 1.00 0.00 H new ATOM 0 HD21 LEU A 110 21.293 4.018 -5.434 1.00 0.00 H new ATOM 0 HD22 LEU A 110 19.871 3.136 -4.829 1.00 0.00 H new ATOM 0 HD23 LEU A 110 21.023 2.326 -5.917 1.00 0.00 H new ATOM 1726 N ALA A 111 18.454 2.970 -4.121 1.00 0.00 N ATOM 1727 CA ALA A 111 19.026 2.651 -2.820 1.00 0.00 C ATOM 1728 C ALA A 111 17.923 2.445 -1.798 1.00 0.00 C ATOM 1729 O ALA A 111 18.013 1.629 -0.882 1.00 0.00 O ATOM 1730 CB ALA A 111 19.975 3.740 -2.399 1.00 0.00 C ATOM 0 H ALA A 111 18.417 3.969 -4.322 1.00 0.00 H new ATOM 0 HA ALA A 111 19.589 1.720 -2.889 1.00 0.00 H new ATOM 0 HB1 ALA A 111 20.400 3.496 -1.425 1.00 0.00 H new ATOM 0 HB2 ALA A 111 20.776 3.828 -3.133 1.00 0.00 H new ATOM 0 HB3 ALA A 111 19.437 4.686 -2.334 1.00 0.00 H new ATOM 1736 N GLN A 112 16.876 3.211 -2.018 1.00 0.00 N ATOM 1737 CA GLN A 112 15.694 3.183 -1.189 1.00 0.00 C ATOM 1738 C GLN A 112 14.803 2.075 -1.698 1.00 0.00 C ATOM 1739 O GLN A 112 13.837 1.678 -1.053 1.00 0.00 O ATOM 1740 CB GLN A 112 14.992 4.539 -1.314 1.00 0.00 C ATOM 1741 CG GLN A 112 13.761 4.684 -0.469 1.00 0.00 C ATOM 1742 CD GLN A 112 13.147 6.065 -0.554 1.00 0.00 C ATOM 1743 OE1 GLN A 112 12.902 6.681 0.599 1.00 0.00 O flip ATOM 1744 NE2 GLN A 112 12.893 6.572 -1.643 1.00 0.00 N flip ATOM 0 H GLN A 112 16.823 3.878 -2.788 1.00 0.00 H new ATOM 0 HA GLN A 112 15.936 3.003 -0.142 1.00 0.00 H new ATOM 0 HB2 GLN A 112 15.697 5.325 -1.044 1.00 0.00 H new ATOM 0 HB3 GLN A 112 14.721 4.699 -2.358 1.00 0.00 H new ATOM 0 HG2 GLN A 112 13.024 3.944 -0.781 1.00 0.00 H new ATOM 0 HG3 GLN A 112 14.012 4.467 0.569 1.00 0.00 H new ATOM 0 HE21 GLN A 112 13.098 6.063 -2.503 1.00 0.00 H new ATOM 0 HE22 GLN A 112 12.477 7.502 -1.688 1.00 0.00 H new ATOM 1753 N ARG A 113 15.257 1.480 -2.790 1.00 0.00 N ATOM 1754 CA ARG A 113 14.641 0.296 -3.328 1.00 0.00 C ATOM 1755 C ARG A 113 15.122 -0.826 -2.415 1.00 0.00 C ATOM 1756 O ARG A 113 14.323 -1.650 -1.970 1.00 0.00 O ATOM 1757 CB ARG A 113 15.110 0.102 -4.767 1.00 0.00 C ATOM 1758 CG ARG A 113 13.993 -0.149 -5.750 1.00 0.00 C ATOM 1759 CD ARG A 113 13.569 1.135 -6.435 1.00 0.00 C ATOM 1760 NE ARG A 113 13.459 0.971 -7.882 1.00 0.00 N ATOM 1761 CZ ARG A 113 14.500 0.794 -8.694 1.00 0.00 C ATOM 1762 NH1 ARG A 113 15.731 0.748 -8.209 1.00 0.00 N ATOM 1763 NH2 ARG A 113 14.305 0.655 -9.997 1.00 0.00 N ATOM 0 H ARG A 113 16.062 1.810 -3.322 1.00 0.00 H new ATOM 0 HA ARG A 113 13.552 0.338 -3.359 1.00 0.00 H new ATOM 0 HB2 ARG A 113 15.663 0.988 -5.080 1.00 0.00 H new ATOM 0 HB3 ARG A 113 15.805 -0.737 -4.801 1.00 0.00 H new ATOM 0 HG2 ARG A 113 14.318 -0.873 -6.497 1.00 0.00 H new ATOM 0 HG3 ARG A 113 13.140 -0.587 -5.232 1.00 0.00 H new ATOM 0 HD2 ARG A 113 12.610 1.461 -6.033 1.00 0.00 H new ATOM 0 HD3 ARG A 113 14.291 1.920 -6.213 1.00 0.00 H new ATOM 0 HE ARG A 113 12.527 0.993 -8.297 1.00 0.00 H new ATOM 0 HH11 ARG A 113 15.888 0.848 -7.206 1.00 0.00 H new ATOM 0 HH12 ARG A 113 16.522 0.612 -8.838 1.00 0.00 H new ATOM 0 HH21 ARG A 113 13.359 0.684 -10.377 1.00 0.00 H new ATOM 0 HH22 ARG A 113 15.101 0.519 -10.620 1.00 0.00 H new ATOM 1777 N ARG A 114 16.405 -0.847 -2.094 1.00 0.00 N ATOM 1778 CA ARG A 114 16.914 -1.864 -1.190 1.00 0.00 C ATOM 1779 C ARG A 114 16.581 -1.471 0.230 1.00 0.00 C ATOM 1780 O ARG A 114 16.032 -2.258 0.996 1.00 0.00 O ATOM 1781 CB ARG A 114 18.420 -2.074 -1.368 1.00 0.00 C ATOM 1782 CG ARG A 114 19.323 -1.110 -0.612 1.00 0.00 C ATOM 1783 CD ARG A 114 19.437 -1.491 0.856 1.00 0.00 C ATOM 1784 NE ARG A 114 20.519 -0.775 1.523 1.00 0.00 N ATOM 1785 CZ ARG A 114 20.514 0.538 1.749 1.00 0.00 C ATOM 1786 NH1 ARG A 114 19.482 1.279 1.375 1.00 0.00 N ATOM 1787 NH2 ARG A 114 21.546 1.110 2.352 1.00 0.00 N ATOM 0 H ARG A 114 17.101 -0.185 -2.438 1.00 0.00 H new ATOM 0 HA ARG A 114 16.437 -2.816 -1.423 1.00 0.00 H new ATOM 0 HB2 ARG A 114 18.664 -3.089 -1.056 1.00 0.00 H new ATOM 0 HB3 ARG A 114 18.654 -2.002 -2.430 1.00 0.00 H new ATOM 0 HG2 ARG A 114 20.314 -1.105 -1.066 1.00 0.00 H new ATOM 0 HG3 ARG A 114 18.929 -0.097 -0.697 1.00 0.00 H new ATOM 0 HD2 ARG A 114 18.495 -1.277 1.361 1.00 0.00 H new ATOM 0 HD3 ARG A 114 19.606 -2.564 0.940 1.00 0.00 H new ATOM 0 HE ARG A 114 21.328 -1.312 1.835 1.00 0.00 H new ATOM 0 HH11 ARG A 114 18.684 0.845 0.911 1.00 0.00 H new ATOM 0 HH12 ARG A 114 19.485 2.284 1.551 1.00 0.00 H new ATOM 0 HH21 ARG A 114 22.344 0.545 2.643 1.00 0.00 H new ATOM 0 HH22 ARG A 114 21.543 2.115 2.525 1.00 0.00 H new ATOM 1801 N GLY A 115 16.903 -0.229 0.575 1.00 0.00 N ATOM 1802 CA GLY A 115 16.607 0.265 1.901 1.00 0.00 C ATOM 1803 C GLY A 115 15.161 0.010 2.226 1.00 0.00 C ATOM 1804 O GLY A 115 14.881 -0.500 3.306 1.00 0.00 O ATOM 0 H GLY A 115 17.363 0.441 -0.041 1.00 0.00 H new ATOM 0 HA2 GLY A 115 17.247 -0.227 2.634 1.00 0.00 H new ATOM 0 HA3 GLY A 115 16.820 1.333 1.958 1.00 0.00 H new ATOM 1808 N PHE A 116 14.218 0.345 1.381 1.00 0.00 N ATOM 1809 CA PHE A 116 12.835 0.085 1.792 1.00 0.00 C ATOM 1810 C PHE A 116 12.612 -1.396 2.040 1.00 0.00 C ATOM 1811 O PHE A 116 11.632 -1.793 2.674 1.00 0.00 O ATOM 1812 CB PHE A 116 11.777 0.588 0.801 1.00 0.00 C ATOM 1813 CG PHE A 116 11.164 1.926 1.106 1.00 0.00 C ATOM 1814 CD1 PHE A 116 10.291 2.057 2.170 1.00 0.00 C ATOM 1815 CD2 PHE A 116 11.415 3.026 0.325 1.00 0.00 C ATOM 1816 CE1 PHE A 116 9.689 3.266 2.457 1.00 0.00 C ATOM 1817 CE2 PHE A 116 10.812 4.243 0.600 1.00 0.00 C ATOM 1818 CZ PHE A 116 9.950 4.362 1.670 1.00 0.00 C ATOM 0 H PHE A 116 14.351 0.770 0.463 1.00 0.00 H new ATOM 0 HA PHE A 116 12.706 0.653 2.713 1.00 0.00 H new ATOM 0 HB2 PHE A 116 12.231 0.637 -0.189 1.00 0.00 H new ATOM 0 HB3 PHE A 116 10.978 -0.151 0.749 1.00 0.00 H new ATOM 0 HD1 PHE A 116 10.076 1.198 2.788 1.00 0.00 H new ATOM 0 HD2 PHE A 116 12.090 2.942 -0.514 1.00 0.00 H new ATOM 0 HE1 PHE A 116 9.015 3.350 3.297 1.00 0.00 H new ATOM 0 HE2 PHE A 116 11.017 5.100 -0.025 1.00 0.00 H new ATOM 0 HZ PHE A 116 9.483 5.311 1.888 1.00 0.00 H new ATOM 1828 N THR A 117 13.569 -2.186 1.607 1.00 0.00 N ATOM 1829 CA THR A 117 13.537 -3.612 1.815 1.00 0.00 C ATOM 1830 C THR A 117 14.335 -3.974 3.072 1.00 0.00 C ATOM 1831 O THR A 117 14.198 -5.075 3.605 1.00 0.00 O ATOM 1832 CB THR A 117 14.025 -4.343 0.540 1.00 0.00 C ATOM 1833 OG1 THR A 117 13.162 -5.422 0.226 1.00 0.00 O ATOM 1834 CG2 THR A 117 15.433 -4.903 0.600 1.00 0.00 C ATOM 0 H THR A 117 14.391 -1.856 1.101 1.00 0.00 H new ATOM 0 HA THR A 117 12.515 -3.947 1.990 1.00 0.00 H new ATOM 0 HB THR A 117 14.020 -3.562 -0.220 1.00 0.00 H new ATOM 0 HG1 THR A 117 12.350 -5.078 -0.202 1.00 0.00 H new ATOM 0 HG21 THR A 117 15.670 -5.393 -0.344 1.00 0.00 H new ATOM 0 HG22 THR A 117 16.140 -4.092 0.776 1.00 0.00 H new ATOM 0 HG23 THR A 117 15.502 -5.627 1.412 1.00 0.00 H new ATOM 1842 N LYS A 118 15.174 -3.038 3.542 1.00 0.00 N ATOM 1843 CA LYS A 118 15.984 -3.280 4.732 1.00 0.00 C ATOM 1844 C LYS A 118 16.122 -2.059 5.684 1.00 0.00 C ATOM 1845 O LYS A 118 16.195 -2.221 6.901 1.00 0.00 O ATOM 1846 CB LYS A 118 17.367 -3.783 4.284 1.00 0.00 C ATOM 1847 CG LYS A 118 18.332 -2.692 3.841 1.00 0.00 C ATOM 1848 CD LYS A 118 19.697 -2.868 4.486 1.00 0.00 C ATOM 1849 CE LYS A 118 20.574 -1.643 4.291 1.00 0.00 C ATOM 1850 NZ LYS A 118 21.510 -1.441 5.430 1.00 0.00 N ATOM 0 H LYS A 118 15.304 -2.119 3.118 1.00 0.00 H new ATOM 0 HA LYS A 118 15.463 -4.031 5.326 1.00 0.00 H new ATOM 0 HB2 LYS A 118 17.820 -4.337 5.106 1.00 0.00 H new ATOM 0 HB3 LYS A 118 17.233 -4.486 3.462 1.00 0.00 H new ATOM 0 HG2 LYS A 118 18.435 -2.713 2.756 1.00 0.00 H new ATOM 0 HG3 LYS A 118 17.926 -1.715 4.104 1.00 0.00 H new ATOM 0 HD2 LYS A 118 19.574 -3.061 5.552 1.00 0.00 H new ATOM 0 HD3 LYS A 118 20.191 -3.741 4.059 1.00 0.00 H new ATOM 0 HE2 LYS A 118 21.144 -1.748 3.368 1.00 0.00 H new ATOM 0 HE3 LYS A 118 19.944 -0.760 4.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 22.090 -0.595 5.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 20.967 -1.315 6.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 22.129 -2.272 5.522 1.00 0.00 H new ATOM 1864 N THR A 119 16.258 -0.857 5.108 1.00 0.00 N ATOM 1865 CA THR A 119 16.517 0.388 5.863 1.00 0.00 C ATOM 1866 C THR A 119 15.389 1.031 6.631 1.00 0.00 C ATOM 1867 O THR A 119 15.668 1.750 7.592 1.00 0.00 O ATOM 1868 CB THR A 119 16.905 1.507 4.912 1.00 0.00 C ATOM 1869 OG1 THR A 119 15.939 1.653 3.899 1.00 0.00 O ATOM 1870 CG2 THR A 119 18.263 1.355 4.267 1.00 0.00 C ATOM 0 H THR A 119 16.192 -0.715 4.100 1.00 0.00 H new ATOM 0 HA THR A 119 17.266 0.027 6.568 1.00 0.00 H new ATOM 0 HB THR A 119 16.957 2.395 5.542 1.00 0.00 H new ATOM 0 HG1 THR A 119 15.225 2.247 4.211 1.00 0.00 H new ATOM 0 HG21 THR A 119 18.449 2.202 3.606 1.00 0.00 H new ATOM 0 HG22 THR A 119 19.031 1.322 5.040 1.00 0.00 H new ATOM 0 HG23 THR A 119 18.290 0.431 3.689 1.00 0.00 H new ATOM 1878 N TYR A 120 14.162 0.965 6.161 1.00 0.00 N ATOM 1879 CA TYR A 120 13.144 1.755 6.822 1.00 0.00 C ATOM 1880 C TYR A 120 12.244 1.005 7.785 1.00 0.00 C ATOM 1881 O TYR A 120 11.136 1.438 8.094 1.00 0.00 O ATOM 1882 CB TYR A 120 12.359 2.551 5.787 1.00 0.00 C ATOM 1883 CG TYR A 120 13.226 3.146 4.695 1.00 0.00 C ATOM 1884 CD1 TYR A 120 14.392 3.829 5.005 1.00 0.00 C ATOM 1885 CD2 TYR A 120 12.877 3.033 3.362 1.00 0.00 C ATOM 1886 CE1 TYR A 120 15.185 4.380 4.016 1.00 0.00 C ATOM 1887 CE2 TYR A 120 13.660 3.575 2.369 1.00 0.00 C ATOM 1888 CZ TYR A 120 14.818 4.250 2.700 1.00 0.00 C ATOM 1889 OH TYR A 120 15.609 4.802 1.713 1.00 0.00 O ATOM 0 H TYR A 120 13.854 0.405 5.366 1.00 0.00 H new ATOM 0 HA TYR A 120 13.679 2.437 7.482 1.00 0.00 H new ATOM 0 HB2 TYR A 120 11.611 1.902 5.332 1.00 0.00 H new ATOM 0 HB3 TYR A 120 11.821 3.354 6.290 1.00 0.00 H new ATOM 0 HD1 TYR A 120 14.686 3.933 6.039 1.00 0.00 H new ATOM 0 HD2 TYR A 120 11.971 2.509 3.095 1.00 0.00 H new ATOM 0 HE1 TYR A 120 16.089 4.910 4.278 1.00 0.00 H new ATOM 0 HE2 TYR A 120 13.370 3.473 1.334 1.00 0.00 H new ATOM 0 HH TYR A 120 15.452 5.768 1.670 1.00 0.00 H new ATOM 1899 N THR A 121 12.736 -0.141 8.236 1.00 0.00 N ATOM 1900 CA THR A 121 12.004 -1.007 9.155 1.00 0.00 C ATOM 1901 C THR A 121 12.472 -0.861 10.613 1.00 0.00 C ATOM 1902 O THR A 121 11.738 -1.005 11.590 1.00 0.00 O ATOM 1903 CB THR A 121 12.081 -2.478 8.687 1.00 0.00 C ATOM 1904 OG1 THR A 121 12.555 -3.330 9.716 1.00 0.00 O ATOM 1905 CG2 THR A 121 12.963 -2.698 7.472 1.00 0.00 C ATOM 0 H THR A 121 13.655 -0.498 7.975 1.00 0.00 H new ATOM 0 HA THR A 121 10.962 -0.686 9.136 1.00 0.00 H new ATOM 0 HB THR A 121 11.054 -2.722 8.416 1.00 0.00 H new ATOM 0 HG1 THR A 121 12.590 -4.252 9.387 1.00 0.00 H new ATOM 0 HG21 THR A 121 12.963 -3.756 7.209 1.00 0.00 H new ATOM 0 HG22 THR A 121 12.580 -2.115 6.634 1.00 0.00 H new ATOM 0 HG23 THR A 121 13.981 -2.381 7.699 1.00 0.00 H new ATOM 1913 N VAL A 122 13.757 -0.480 10.642 1.00 0.00 N ATOM 1914 CA VAL A 122 14.471 -0.190 11.888 1.00 0.00 C ATOM 1915 C VAL A 122 15.024 1.240 11.882 1.00 0.00 C ATOM 1916 O VAL A 122 15.224 1.847 12.935 1.00 0.00 O ATOM 1917 CB VAL A 122 15.626 -1.173 12.142 1.00 0.00 C ATOM 1918 CG1 VAL A 122 16.018 -1.165 13.613 1.00 0.00 C ATOM 1919 CG2 VAL A 122 15.264 -2.586 11.696 1.00 0.00 C ATOM 0 H VAL A 122 14.327 -0.365 9.804 1.00 0.00 H new ATOM 0 HA VAL A 122 13.743 -0.301 12.692 1.00 0.00 H new ATOM 0 HB VAL A 122 16.479 -0.844 11.548 1.00 0.00 H new ATOM 0 HG11 VAL A 122 16.837 -1.866 13.775 1.00 0.00 H new ATOM 0 HG12 VAL A 122 16.337 -0.163 13.899 1.00 0.00 H new ATOM 0 HG13 VAL A 122 15.162 -1.460 14.219 1.00 0.00 H new ATOM 0 HG21 VAL A 122 16.103 -3.255 11.890 1.00 0.00 H new ATOM 0 HG22 VAL A 122 14.390 -2.930 12.250 1.00 0.00 H new ATOM 0 HG23 VAL A 122 15.040 -2.585 10.629 1.00 0.00 H new ATOM 1929 N GLY A 123 15.255 1.762 10.678 1.00 0.00 N ATOM 1930 CA GLY A 123 15.768 3.108 10.507 1.00 0.00 C ATOM 1931 C GLY A 123 14.823 3.927 9.655 1.00 0.00 C ATOM 1932 O GLY A 123 15.241 4.747 8.840 1.00 0.00 O ATOM 0 H GLY A 123 15.091 1.263 9.804 1.00 0.00 H new ATOM 0 HA2 GLY A 123 15.895 3.582 11.480 1.00 0.00 H new ATOM 0 HA3 GLY A 123 16.752 3.073 10.039 1.00 0.00 H new ATOM 1936 N CYS A 124 13.540 3.640 9.850 1.00 0.00 N ATOM 1937 CA CYS A 124 12.431 4.273 9.132 1.00 0.00 C ATOM 1938 C CYS A 124 12.463 5.793 9.274 1.00 0.00 C ATOM 1939 O CYS A 124 11.565 6.384 9.877 1.00 0.00 O ATOM 1940 CB CYS A 124 11.148 3.712 9.710 1.00 0.00 C ATOM 1941 SG CYS A 124 10.972 4.023 11.495 1.00 0.00 S ATOM 0 H CYS A 124 13.231 2.944 10.528 1.00 0.00 H new ATOM 0 HA CYS A 124 12.507 4.060 8.066 1.00 0.00 H new ATOM 0 HB2 CYS A 124 10.299 4.150 9.186 1.00 0.00 H new ATOM 0 HB3 CYS A 124 11.115 2.638 9.530 1.00 0.00 H new ATOM 1946 N GLU A 125 13.472 6.424 8.705 1.00 0.00 N ATOM 1947 CA GLU A 125 13.584 7.877 8.769 1.00 0.00 C ATOM 1948 C GLU A 125 13.772 8.494 7.390 1.00 0.00 C ATOM 1949 O GLU A 125 14.749 9.199 7.142 1.00 0.00 O ATOM 1950 CB GLU A 125 14.703 8.293 9.721 1.00 0.00 C ATOM 1951 CG GLU A 125 15.604 7.140 10.126 1.00 0.00 C ATOM 1952 CD GLU A 125 16.354 7.405 11.419 1.00 0.00 C ATOM 1953 OE1 GLU A 125 17.153 8.362 11.456 1.00 0.00 O ATOM 1954 OE2 GLU A 125 16.141 6.651 12.392 1.00 0.00 O ATOM 0 H GLU A 125 14.224 5.961 8.195 1.00 0.00 H new ATOM 0 HA GLU A 125 12.643 8.261 9.163 1.00 0.00 H new ATOM 0 HB2 GLU A 125 15.306 9.067 9.246 1.00 0.00 H new ATOM 0 HB3 GLU A 125 14.264 8.734 10.616 1.00 0.00 H new ATOM 0 HG2 GLU A 125 15.003 6.238 10.238 1.00 0.00 H new ATOM 0 HG3 GLU A 125 16.321 6.948 9.328 1.00 0.00 H new ATOM 1961 N GLU A 126 12.824 8.242 6.497 1.00 0.00 N ATOM 1962 CA GLU A 126 12.894 8.797 5.162 1.00 0.00 C ATOM 1963 C GLU A 126 11.887 9.930 4.977 1.00 0.00 C ATOM 1964 O GLU A 126 10.845 9.915 5.667 1.00 0.00 O ATOM 1965 CB GLU A 126 12.697 7.704 4.122 1.00 0.00 C ATOM 1966 CG GLU A 126 14.006 7.149 3.613 1.00 0.00 C ATOM 1967 CD GLU A 126 14.698 8.095 2.652 1.00 0.00 C ATOM 1968 OE1 GLU A 126 14.787 9.301 2.970 1.00 0.00 O ATOM 1969 OE2 GLU A 126 15.151 7.633 1.585 1.00 0.00 O ATOM 1970 OXT GLU A 126 12.146 10.819 4.139 1.00 0.00 O ATOM 0 H GLU A 126 12.005 7.661 6.676 1.00 0.00 H new ATOM 0 HA GLU A 126 13.887 9.224 5.022 1.00 0.00 H new ATOM 0 HB2 GLU A 126 12.107 6.896 4.555 1.00 0.00 H new ATOM 0 HB3 GLU A 126 12.125 8.103 3.284 1.00 0.00 H new ATOM 0 HG2 GLU A 126 14.665 6.946 4.457 1.00 0.00 H new ATOM 0 HG3 GLU A 126 13.825 6.197 3.114 1.00 0.00 H new