USER MOD reduce.3.24.130724 H: found=0, std=0, add=1079, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1087 hydrogens (9 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 NoAdj-H: B 512 PTR HN2 : B 512 PTR N : B 511 GLN C :(H bumps) USER MOD NoAdj-H: B 512 PTR H : B 512 PTR N : B 511 GLN C :(H bumps) USER MOD Set 1.1: B 501 MET CE :methyl 177:sc= -1.1 (180deg=-1.1) USER MOD Set 1.2: B 502 THR OG1 : rot 20:sc= -0.102 USER MOD Set 2.1: A 61 CYS SG : rot 22:sc= 0.0693 USER MOD Set 2.2: A 76 SER OG : rot 120:sc= 1.33 USER MOD Set 2.3: A 80 CYS SG : rot 6:sc= 0.926 USER MOD Set 3.1: A 54 SER OG : rot -23:sc= 0.134 USER MOD Set 3.2: A 56 LYS NZ :NH3+ -120:sc= 0.938 (180deg=-1.72!) USER MOD Set 4.1: A 43 THR OG1 : rot -100:sc= 0 USER MOD Set 4.2: A 58 HIS : no HD1:sc= -5.05! C(o=-5!,f=-13!) USER MOD Set 5.1: A 22 LYS NZ :NH3+ -172:sc= 0.0276 (180deg=-0.0223) USER MOD Set 5.2: A 35 SER OG : rot 29:sc= 0.135 USER MOD Single : A 8 SER OG : rot 180:sc= 0.446 USER MOD Single : A 9 HIS : no HD1:sc= -0.239 X(o=-0.24,f=-0.011) USER MOD Single : A 10 MET CE :methyl -170:sc= -0.0335 (180deg=-0.272) USER MOD Single : A 12 THR OG1 : rot 62:sc= -2.95! USER MOD Single : A 16 ASN : amide:sc= -0.186 X(o=-0.19,f=-0.19) USER MOD Single : A 17 HIS : no HD1:sc= -3.41! K(o=-3.4!,f=-2.6) USER MOD Single : A 19 ASN : amide:sc= -0.857 X(o=-0.86,f=-0.69) USER MOD Single : A 20 LYS NZ :NH3+ -121:sc= 0.501 (180deg=-1.15) USER MOD Single : A 25 ASN : amide:sc= -0.358 X(o=-0.36,f=-0.56) USER MOD Single : A 31 ASN : amide:sc= 0.352 X(o=0.35,f=0) USER MOD Single : A 38 MET CE :methyl 163:sc= -10.2! (180deg=-12.8!) USER MOD Single : A 41 THR OG1 : rot -61:sc= 1.61 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot -77:sc= -2.14! USER MOD Single : A 51 LYS NZ :NH3+ 138:sc= 0.725 (180deg=-1.42!) USER MOD Single : A 59 TYR OH : rot 78:sc= -1.74! USER MOD Single : A 65 TYR OH : rot -92:sc= 0.811 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -1.82! C(o=-1.8!,f=-2.6!) USER MOD Single : A 73 SER OG : rot 60:sc= -2.85! USER MOD Single : A 81 GLN : amide:sc=-0.00759 X(o=-0.0076,f=-0.0035) USER MOD Single : A 82 THR OG1 : rot -17:sc= 1.1 USER MOD Single : A 84 GLN : amide:sc= -0.938 K(o=-0.94,f=-0.059) USER MOD Single : A 90 LYS NZ :NH3+ 179:sc= -1.61 (180deg=-1.77) USER MOD Single : A 91 CYS SG : rot 63:sc= -5.1! USER MOD Single : A 99 ASN : amide:sc= 0.112 X(o=0.11,f=0) USER MOD Single : A 100 MET CE :methyl 176:sc= -5.65! (180deg=-5.75!) USER MOD Single : A 102 GLN : amide:sc= -9.76! C(o=-9.8!,f=-6.3!) USER MOD Single : A 105 MET CE :methyl -114:sc= -8.13! (180deg=-11!) USER MOD Single : A 106 GLN : amide:sc= -3.52! K(o=-3.5!,f=-0.31) USER MOD Single : A 107 ASN : amide:sc= 0.642 K(o=0.64,f=-0.26) USER MOD Single : A 108 ASN : amide:sc= -5.56! C(o=-5.6!,f=-4.8!) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 111 ASN : amide:sc= 0.0633 X(o=0.063,f=-0.049) USER MOD Single : A 121 ASN : amide:sc= -2.1 K(o=-2.1,f=-0.55) USER MOD Single : A 122 ASN : amide:sc= -0.0375 X(o=-0.037,f=-0.08) USER MOD Single : B 503 LYS NZ :NH3+ -127:sc= 0 (180deg=-0.0112) USER MOD Single : B 509 ASN : amide:sc= -4.93! C(o=-4.9!,f=-4.7!) USER MOD Single : B 511 GLN : amide:sc= -2.67 K(o=-2.7,f=-6.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 8 -2.054 14.045 14.976 1.00 0.00 N ATOM 2 CA SER A 8 -1.315 15.317 14.856 1.00 0.00 C ATOM 3 C SER A 8 -1.623 15.969 13.508 1.00 0.00 C ATOM 4 O SER A 8 -2.710 15.770 12.964 1.00 0.00 O ATOM 5 CB SER A 8 0.190 15.070 15.016 1.00 0.00 C ATOM 6 OG SER A 8 0.901 16.289 15.141 1.00 0.00 O ATOM 0 HA SER A 8 -1.633 15.995 15.648 1.00 0.00 H new ATOM 0 HB2 SER A 8 0.368 14.451 15.895 1.00 0.00 H new ATOM 0 HB3 SER A 8 0.563 14.515 14.155 1.00 0.00 H new ATOM 0 HG SER A 8 1.857 16.101 15.243 1.00 0.00 H new ATOM 14 N HIS A 9 -0.671 16.730 12.964 1.00 0.00 N ATOM 15 CA HIS A 9 -0.895 17.476 11.726 1.00 0.00 C ATOM 16 C HIS A 9 -1.206 16.560 10.542 1.00 0.00 C ATOM 17 O HIS A 9 -1.789 16.998 9.554 1.00 0.00 O ATOM 18 CB HIS A 9 0.290 18.393 11.398 1.00 0.00 C ATOM 19 CG HIS A 9 1.536 17.696 10.927 1.00 0.00 C ATOM 20 ND1 HIS A 9 2.653 17.547 11.717 1.00 0.00 N ATOM 21 CD2 HIS A 9 1.849 17.140 9.732 1.00 0.00 C ATOM 22 CE1 HIS A 9 3.594 16.929 11.032 1.00 0.00 C ATOM 23 NE2 HIS A 9 3.131 16.671 9.827 1.00 0.00 N ATOM 0 H HIS A 9 0.261 16.845 13.362 1.00 0.00 H new ATOM 0 HA HIS A 9 -1.773 18.098 11.898 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -0.022 19.100 10.630 1.00 0.00 H new ATOM 0 HB3 HIS A 9 0.534 18.975 12.287 1.00 0.00 H new ATOM 0 HD2 HIS A 9 1.207 17.078 8.866 1.00 0.00 H new ATOM 0 HE1 HIS A 9 4.579 16.677 11.397 1.00 0.00 H new ATOM 0 HE2 HIS A 9 3.645 16.198 9.084 1.00 0.00 H new ATOM 32 N MET A 10 -0.825 15.291 10.636 1.00 0.00 N ATOM 33 CA MET A 10 -1.100 14.347 9.560 1.00 0.00 C ATOM 34 C MET A 10 -2.575 13.973 9.552 1.00 0.00 C ATOM 35 O MET A 10 -3.142 13.660 8.510 1.00 0.00 O ATOM 36 CB MET A 10 -0.246 13.083 9.690 1.00 0.00 C ATOM 37 CG MET A 10 1.249 13.339 9.590 1.00 0.00 C ATOM 38 SD MET A 10 2.209 11.825 9.372 1.00 0.00 S ATOM 39 CE MET A 10 1.687 10.863 10.790 1.00 0.00 C ATOM 0 H MET A 10 -0.331 14.896 11.436 1.00 0.00 H new ATOM 0 HA MET A 10 -0.844 14.834 8.619 1.00 0.00 H new ATOM 0 HB2 MET A 10 -0.460 12.608 10.647 1.00 0.00 H new ATOM 0 HB3 MET A 10 -0.537 12.378 8.912 1.00 0.00 H new ATOM 0 HG2 MET A 10 1.442 14.009 8.753 1.00 0.00 H new ATOM 0 HG3 MET A 10 1.586 13.850 10.492 1.00 0.00 H new ATOM 0 HE1 MET A 10 2.323 9.983 10.887 1.00 0.00 H new ATOM 0 HE2 MET A 10 1.768 11.470 11.692 1.00 0.00 H new ATOM 0 HE3 MET A 10 0.652 10.550 10.656 1.00 0.00 H new ATOM 49 N ASP A 11 -3.193 14.018 10.722 1.00 0.00 N ATOM 50 CA ASP A 11 -4.595 13.650 10.863 1.00 0.00 C ATOM 51 C ASP A 11 -5.499 14.878 10.851 1.00 0.00 C ATOM 52 O ASP A 11 -6.641 14.813 10.394 1.00 0.00 O ATOM 53 CB ASP A 11 -4.795 12.839 12.144 1.00 0.00 C ATOM 54 CG ASP A 11 -6.248 12.545 12.439 1.00 0.00 C ATOM 55 OD1 ASP A 11 -6.846 11.697 11.743 1.00 0.00 O ATOM 56 OD2 ASP A 11 -6.801 13.152 13.381 1.00 0.00 O ATOM 0 H ASP A 11 -2.744 14.307 11.591 1.00 0.00 H new ATOM 0 HA ASP A 11 -4.874 13.034 10.008 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -4.250 11.899 12.060 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -4.363 13.384 12.983 1.00 0.00 H new ATOM 61 N THR A 12 -4.994 15.998 11.349 1.00 0.00 N ATOM 62 CA THR A 12 -5.720 17.258 11.242 1.00 0.00 C ATOM 63 C THR A 12 -5.669 17.728 9.798 1.00 0.00 C ATOM 64 O THR A 12 -6.607 18.347 9.287 1.00 0.00 O ATOM 65 CB THR A 12 -5.137 18.340 12.172 1.00 0.00 C ATOM 66 OG1 THR A 12 -3.711 18.393 12.048 1.00 0.00 O ATOM 67 CG2 THR A 12 -5.514 18.069 13.612 1.00 0.00 C ATOM 0 H THR A 12 -4.095 16.062 11.826 1.00 0.00 H new ATOM 0 HA THR A 12 -6.752 17.091 11.552 1.00 0.00 H new ATOM 0 HB THR A 12 -5.556 19.301 11.874 1.00 0.00 H new ATOM 0 HG1 THR A 12 -3.471 18.636 11.129 1.00 0.00 H new ATOM 0 HG21 THR A 12 -5.092 18.845 14.251 1.00 0.00 H new ATOM 0 HG22 THR A 12 -6.600 18.069 13.710 1.00 0.00 H new ATOM 0 HG23 THR A 12 -5.122 17.098 13.914 1.00 0.00 H new ATOM 75 N VAL A 13 -4.561 17.383 9.152 1.00 0.00 N ATOM 76 CA VAL A 13 -4.353 17.600 7.740 1.00 0.00 C ATOM 77 C VAL A 13 -4.240 19.080 7.370 1.00 0.00 C ATOM 78 O VAL A 13 -4.920 19.948 7.921 1.00 0.00 O ATOM 79 CB VAL A 13 -5.446 16.870 6.950 1.00 0.00 C ATOM 80 CG1 VAL A 13 -5.848 17.579 5.663 1.00 0.00 C ATOM 81 CG2 VAL A 13 -4.994 15.452 6.666 1.00 0.00 C ATOM 0 H VAL A 13 -3.769 16.935 9.613 1.00 0.00 H new ATOM 0 HA VAL A 13 -3.386 17.178 7.467 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.342 16.863 7.570 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -6.625 17.004 5.158 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -6.227 18.573 5.899 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -4.980 17.667 5.010 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -5.768 14.929 6.104 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -4.074 15.473 6.082 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.814 14.932 7.607 1.00 0.00 H new ATOM 91 N PRO A 14 -3.341 19.363 6.430 1.00 0.00 N ATOM 92 CA PRO A 14 -3.042 20.709 5.966 1.00 0.00 C ATOM 93 C PRO A 14 -4.003 21.139 4.862 1.00 0.00 C ATOM 94 O PRO A 14 -3.619 21.237 3.692 1.00 0.00 O ATOM 95 CB PRO A 14 -1.622 20.540 5.428 1.00 0.00 C ATOM 96 CG PRO A 14 -1.607 19.160 4.867 1.00 0.00 C ATOM 97 CD PRO A 14 -2.551 18.356 5.708 1.00 0.00 C ATOM 0 HA PRO A 14 -3.137 21.475 6.735 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -1.394 21.283 4.664 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -0.880 20.657 6.218 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -1.920 19.161 3.823 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -0.602 18.738 4.898 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -3.186 17.718 5.094 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -2.014 17.703 6.396 1.00 0.00 H new ATOM 105 N ASP A 15 -5.251 21.399 5.255 1.00 0.00 N ATOM 106 CA ASP A 15 -6.351 21.653 4.323 1.00 0.00 C ATOM 107 C ASP A 15 -6.731 20.368 3.600 1.00 0.00 C ATOM 108 O ASP A 15 -7.859 19.889 3.722 1.00 0.00 O ATOM 109 CB ASP A 15 -6.014 22.762 3.320 1.00 0.00 C ATOM 110 CG ASP A 15 -5.893 24.123 3.974 1.00 0.00 C ATOM 111 OD1 ASP A 15 -6.922 24.812 4.109 1.00 0.00 O ATOM 112 OD2 ASP A 15 -4.769 24.509 4.361 1.00 0.00 O ATOM 0 H ASP A 15 -5.529 21.440 6.236 1.00 0.00 H new ATOM 0 HA ASP A 15 -7.204 22.001 4.905 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -5.077 22.520 2.818 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -6.787 22.799 2.552 1.00 0.00 H new ATOM 117 N ASN A 16 -5.783 19.798 2.865 1.00 0.00 N ATOM 118 CA ASN A 16 -5.980 18.505 2.225 1.00 0.00 C ATOM 119 C ASN A 16 -4.693 17.716 2.233 1.00 0.00 C ATOM 120 O ASN A 16 -3.638 18.229 2.600 1.00 0.00 O ATOM 121 CB ASN A 16 -6.500 18.641 0.797 1.00 0.00 C ATOM 122 CG ASN A 16 -7.845 19.335 0.710 1.00 0.00 C ATOM 123 OD1 ASN A 16 -7.910 20.558 0.599 1.00 0.00 O ATOM 124 ND2 ASN A 16 -8.924 18.571 0.759 1.00 0.00 N ATOM 0 H ASN A 16 -4.867 20.214 2.698 1.00 0.00 H new ATOM 0 HA ASN A 16 -6.738 17.973 2.800 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -5.773 19.197 0.205 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -6.582 17.649 0.352 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -9.851 18.993 0.704 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -8.829 17.560 0.852 1.00 0.00 H new ATOM 131 N HIS A 17 -4.788 16.469 1.827 1.00 0.00 N ATOM 132 CA HIS A 17 -3.681 15.549 1.919 1.00 0.00 C ATOM 133 C HIS A 17 -3.760 14.536 0.796 1.00 0.00 C ATOM 134 O HIS A 17 -4.527 13.576 0.876 1.00 0.00 O ATOM 135 CB HIS A 17 -3.730 14.838 3.249 1.00 0.00 C ATOM 136 CG HIS A 17 -2.402 14.602 3.889 1.00 0.00 C ATOM 137 ND1 HIS A 17 -1.715 13.406 3.849 1.00 0.00 N ATOM 138 CD2 HIS A 17 -1.665 15.432 4.637 1.00 0.00 C ATOM 139 CE1 HIS A 17 -0.604 13.522 4.554 1.00 0.00 C ATOM 140 NE2 HIS A 17 -0.549 14.746 5.046 1.00 0.00 N ATOM 0 H HIS A 17 -5.635 16.067 1.425 1.00 0.00 H new ATOM 0 HA HIS A 17 -2.745 16.101 1.835 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -4.347 15.421 3.933 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -4.226 13.877 3.112 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -1.905 16.457 4.876 1.00 0.00 H new ATOM 0 HE1 HIS A 17 0.134 12.747 4.703 1.00 0.00 H new ATOM 0 HE2 HIS A 17 0.198 15.119 5.632 1.00 0.00 H new ATOM 149 N ARG A 18 -2.981 14.777 -0.249 1.00 0.00 N ATOM 150 CA ARG A 18 -2.863 13.862 -1.378 1.00 0.00 C ATOM 151 C ARG A 18 -2.660 12.450 -0.903 1.00 0.00 C ATOM 152 O ARG A 18 -3.289 11.515 -1.368 1.00 0.00 O ATOM 153 CB ARG A 18 -1.657 14.236 -2.212 1.00 0.00 C ATOM 154 CG ARG A 18 -1.512 13.374 -3.441 1.00 0.00 C ATOM 155 CD ARG A 18 -2.718 13.470 -4.343 1.00 0.00 C ATOM 156 NE ARG A 18 -2.973 14.837 -4.793 1.00 0.00 N ATOM 157 CZ ARG A 18 -3.586 15.139 -5.933 1.00 0.00 C ATOM 158 NH1 ARG A 18 -3.853 14.185 -6.818 1.00 0.00 N ATOM 159 NH2 ARG A 18 -3.893 16.401 -6.205 1.00 0.00 N ATOM 0 H ARG A 18 -2.410 15.617 -0.339 1.00 0.00 H new ATOM 0 HA ARG A 18 -3.782 13.932 -1.960 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -1.738 15.281 -2.513 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -0.757 14.148 -1.603 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -0.622 13.676 -3.993 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -1.365 12.336 -3.141 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -2.571 12.827 -5.211 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -3.594 13.096 -3.814 1.00 0.00 H new ATOM 0 HE ARG A 18 -2.662 15.604 -4.197 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -3.588 13.220 -6.623 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -4.323 14.418 -7.693 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -3.659 17.138 -5.540 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -4.363 16.634 -7.079 1.00 0.00 H new ATOM 173 N ASN A 19 -1.768 12.323 0.034 1.00 0.00 N ATOM 174 CA ASN A 19 -1.287 11.038 0.457 1.00 0.00 C ATOM 175 C ASN A 19 -2.275 10.352 1.398 1.00 0.00 C ATOM 176 O ASN A 19 -2.273 9.131 1.522 1.00 0.00 O ATOM 177 CB ASN A 19 0.061 11.253 1.126 1.00 0.00 C ATOM 178 CG ASN A 19 1.133 11.754 0.172 1.00 0.00 C ATOM 179 OD1 ASN A 19 1.269 12.960 -0.039 1.00 0.00 O ATOM 180 ND2 ASN A 19 1.912 10.847 -0.387 1.00 0.00 N ATOM 0 H ASN A 19 -1.350 13.111 0.530 1.00 0.00 H new ATOM 0 HA ASN A 19 -1.180 10.376 -0.402 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -0.055 11.969 1.939 1.00 0.00 H new ATOM 0 HB3 ASN A 19 0.391 10.315 1.572 1.00 0.00 H new ATOM 0 HD21 ASN A 19 2.659 11.136 -1.019 1.00 0.00 H new ATOM 0 HD22 ASN A 19 1.767 9.857 -0.187 1.00 0.00 H new ATOM 187 N LYS A 20 -3.136 11.130 2.042 1.00 0.00 N ATOM 188 CA LYS A 20 -4.143 10.565 2.919 1.00 0.00 C ATOM 189 C LYS A 20 -5.391 10.270 2.101 1.00 0.00 C ATOM 190 O LYS A 20 -6.132 11.184 1.736 1.00 0.00 O ATOM 191 CB LYS A 20 -4.482 11.566 4.033 1.00 0.00 C ATOM 192 CG LYS A 20 -5.434 11.040 5.088 1.00 0.00 C ATOM 193 CD LYS A 20 -4.772 10.041 6.008 1.00 0.00 C ATOM 194 CE LYS A 20 -3.939 10.693 7.084 1.00 0.00 C ATOM 195 NZ LYS A 20 -4.737 11.594 7.950 1.00 0.00 N ATOM 0 H LYS A 20 -3.154 12.147 1.972 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.767 9.647 3.371 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -3.557 11.875 4.519 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -4.918 12.457 3.582 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -5.818 11.873 5.676 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -6.290 10.572 4.602 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -5.538 9.422 6.474 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -4.140 9.376 5.419 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -3.475 9.921 7.698 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -3.132 11.260 6.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -4.345 12.556 7.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -5.724 11.606 7.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -4.702 11.253 8.932 1.00 0.00 H new ATOM 209 N PHE A 21 -5.627 9.004 1.815 1.00 0.00 N ATOM 210 CA PHE A 21 -6.813 8.618 1.064 1.00 0.00 C ATOM 211 C PHE A 21 -7.755 7.781 1.895 1.00 0.00 C ATOM 212 O PHE A 21 -7.368 6.773 2.461 1.00 0.00 O ATOM 213 CB PHE A 21 -6.421 7.854 -0.193 1.00 0.00 C ATOM 214 CG PHE A 21 -5.934 8.726 -1.306 1.00 0.00 C ATOM 215 CD1 PHE A 21 -6.385 10.031 -1.460 1.00 0.00 C ATOM 216 CD2 PHE A 21 -5.013 8.235 -2.201 1.00 0.00 C ATOM 217 CE1 PHE A 21 -5.914 10.817 -2.491 1.00 0.00 C ATOM 218 CE2 PHE A 21 -4.543 9.005 -3.220 1.00 0.00 C ATOM 219 CZ PHE A 21 -4.987 10.301 -3.373 1.00 0.00 C ATOM 0 H PHE A 21 -5.022 8.229 2.087 1.00 0.00 H new ATOM 0 HA PHE A 21 -7.332 9.535 0.785 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -5.642 7.135 0.059 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -7.281 7.283 -0.542 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -7.110 10.433 -0.767 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -4.657 7.221 -2.094 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -6.269 11.830 -2.607 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -3.819 8.599 -3.911 1.00 0.00 H new ATOM 0 HZ PHE A 21 -4.610 10.911 -4.181 1.00 0.00 H new ATOM 229 N LYS A 22 -8.996 8.207 1.965 1.00 0.00 N ATOM 230 CA LYS A 22 -10.020 7.447 2.650 1.00 0.00 C ATOM 231 C LYS A 22 -10.394 6.210 1.846 1.00 0.00 C ATOM 232 O LYS A 22 -11.088 6.301 0.833 1.00 0.00 O ATOM 233 CB LYS A 22 -11.241 8.318 2.872 1.00 0.00 C ATOM 234 CG LYS A 22 -11.352 8.878 4.265 1.00 0.00 C ATOM 235 CD LYS A 22 -11.668 7.796 5.278 1.00 0.00 C ATOM 236 CE LYS A 22 -13.068 7.249 5.081 1.00 0.00 C ATOM 237 NZ LYS A 22 -13.430 6.251 6.118 1.00 0.00 N ATOM 0 H LYS A 22 -9.323 9.081 1.554 1.00 0.00 H new ATOM 0 HA LYS A 22 -9.632 7.123 3.616 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -11.219 9.144 2.161 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -12.135 7.734 2.655 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -10.417 9.369 4.536 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -12.131 9.640 4.290 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -10.943 6.987 5.187 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -11.571 8.199 6.286 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -13.784 8.071 5.104 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -13.142 6.790 4.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -14.336 5.805 5.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -12.689 5.523 6.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -13.518 6.725 7.040 1.00 0.00 H new ATOM 251 N VAL A 23 -9.918 5.058 2.291 1.00 0.00 N ATOM 252 CA VAL A 23 -10.222 3.811 1.629 1.00 0.00 C ATOM 253 C VAL A 23 -11.328 3.085 2.376 1.00 0.00 C ATOM 254 O VAL A 23 -11.835 3.558 3.388 1.00 0.00 O ATOM 255 CB VAL A 23 -8.974 2.902 1.551 1.00 0.00 C ATOM 256 CG1 VAL A 23 -7.828 3.627 0.878 1.00 0.00 C ATOM 257 CG2 VAL A 23 -8.563 2.441 2.934 1.00 0.00 C ATOM 0 H VAL A 23 -9.318 4.966 3.111 1.00 0.00 H new ATOM 0 HA VAL A 23 -10.549 4.039 0.615 1.00 0.00 H new ATOM 0 HB VAL A 23 -9.228 2.026 0.955 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -6.959 2.971 0.833 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -8.121 3.912 -0.133 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -7.578 4.521 1.449 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -7.683 1.802 2.858 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -8.330 3.308 3.552 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -9.380 1.880 3.388 1.00 0.00 H new ATOM 267 N ILE A 24 -11.716 1.950 1.867 1.00 0.00 N ATOM 268 CA ILE A 24 -12.679 1.116 2.539 1.00 0.00 C ATOM 269 C ILE A 24 -12.107 -0.278 2.696 1.00 0.00 C ATOM 270 O ILE A 24 -12.014 -1.000 1.716 1.00 0.00 O ATOM 271 CB ILE A 24 -13.974 1.010 1.736 1.00 0.00 C ATOM 272 CG1 ILE A 24 -14.630 2.359 1.517 1.00 0.00 C ATOM 273 CG2 ILE A 24 -14.938 0.125 2.451 1.00 0.00 C ATOM 274 CD1 ILE A 24 -15.432 2.395 0.238 1.00 0.00 C ATOM 0 H ILE A 24 -11.378 1.576 0.980 1.00 0.00 H new ATOM 0 HA ILE A 24 -12.895 1.564 3.509 1.00 0.00 H new ATOM 0 HB ILE A 24 -13.712 0.596 0.762 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -15.282 2.587 2.360 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -13.864 3.134 1.487 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -15.861 0.052 1.875 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -14.503 -0.868 2.567 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -15.156 0.543 3.434 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -15.885 3.379 0.120 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -14.776 2.194 -0.609 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -16.215 1.638 0.278 1.00 0.00 H new ATOM 286 N ASN A 25 -11.707 -0.671 3.892 1.00 0.00 N ATOM 287 CA ASN A 25 -11.157 -2.003 4.042 1.00 0.00 C ATOM 288 C ASN A 25 -12.249 -3.048 3.792 1.00 0.00 C ATOM 289 O ASN A 25 -13.191 -3.217 4.579 1.00 0.00 O ATOM 290 CB ASN A 25 -10.439 -2.216 5.392 1.00 0.00 C ATOM 291 CG ASN A 25 -11.260 -1.867 6.618 1.00 0.00 C ATOM 292 OD1 ASN A 25 -11.259 -0.719 7.070 1.00 0.00 O ATOM 293 ND2 ASN A 25 -11.935 -2.855 7.183 1.00 0.00 N ATOM 0 H ASN A 25 -11.750 -0.111 4.743 1.00 0.00 H new ATOM 0 HA ASN A 25 -10.379 -2.126 3.288 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -10.134 -3.260 5.463 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -9.529 -1.617 5.400 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -12.482 -2.682 8.026 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -11.908 -3.790 6.775 1.00 0.00 H new ATOM 300 N VAL A 26 -12.119 -3.708 2.651 1.00 0.00 N ATOM 301 CA VAL A 26 -13.122 -4.626 2.138 1.00 0.00 C ATOM 302 C VAL A 26 -12.478 -5.995 1.959 1.00 0.00 C ATOM 303 O VAL A 26 -11.423 -6.108 1.342 1.00 0.00 O ATOM 304 CB VAL A 26 -13.660 -4.094 0.791 1.00 0.00 C ATOM 305 CG1 VAL A 26 -14.426 -2.805 1.020 1.00 0.00 C ATOM 306 CG2 VAL A 26 -12.540 -3.838 -0.191 1.00 0.00 C ATOM 0 H VAL A 26 -11.302 -3.619 2.048 1.00 0.00 H new ATOM 0 HA VAL A 26 -13.957 -4.711 2.833 1.00 0.00 H new ATOM 0 HB VAL A 26 -14.318 -4.854 0.371 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -14.804 -2.432 0.068 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -15.262 -2.993 1.694 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -13.763 -2.062 1.463 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -12.955 -3.465 -1.127 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -11.855 -3.098 0.223 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -12.001 -4.767 -0.378 1.00 0.00 H new ATOM 316 N ASP A 27 -13.079 -7.047 2.485 1.00 0.00 N ATOM 317 CA ASP A 27 -12.376 -8.318 2.483 1.00 0.00 C ATOM 318 C ASP A 27 -13.171 -9.432 1.826 1.00 0.00 C ATOM 319 O ASP A 27 -14.312 -9.703 2.199 1.00 0.00 O ATOM 320 CB ASP A 27 -11.982 -8.713 3.907 1.00 0.00 C ATOM 321 CG ASP A 27 -11.081 -9.932 3.942 1.00 0.00 C ATOM 322 OD1 ASP A 27 -9.866 -9.787 3.709 1.00 0.00 O ATOM 323 OD2 ASP A 27 -11.583 -11.039 4.214 1.00 0.00 O ATOM 0 H ASP A 27 -14.010 -7.053 2.902 1.00 0.00 H new ATOM 0 HA ASP A 27 -11.476 -8.178 1.884 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -11.474 -7.876 4.386 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -12.882 -8.914 4.487 1.00 0.00 H new ATOM 328 N ASP A 28 -12.528 -10.068 0.840 1.00 0.00 N ATOM 329 CA ASP A 28 -13.046 -11.244 0.116 1.00 0.00 C ATOM 330 C ASP A 28 -14.450 -11.032 -0.481 1.00 0.00 C ATOM 331 O ASP A 28 -15.042 -11.951 -1.036 1.00 0.00 O ATOM 332 CB ASP A 28 -13.026 -12.475 1.030 1.00 0.00 C ATOM 333 CG ASP A 28 -13.273 -13.766 0.272 1.00 0.00 C ATOM 334 OD1 ASP A 28 -12.572 -14.019 -0.733 1.00 0.00 O ATOM 335 OD2 ASP A 28 -14.166 -14.535 0.677 1.00 0.00 O ATOM 0 H ASP A 28 -11.608 -9.774 0.512 1.00 0.00 H new ATOM 0 HA ASP A 28 -12.382 -11.404 -0.733 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -12.062 -12.533 1.535 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -13.785 -12.361 1.804 1.00 0.00 H new ATOM 340 N ASP A 29 -14.967 -9.820 -0.397 1.00 0.00 N ATOM 341 CA ASP A 29 -16.277 -9.518 -0.963 1.00 0.00 C ATOM 342 C ASP A 29 -16.277 -8.123 -1.573 1.00 0.00 C ATOM 343 O ASP A 29 -17.192 -7.739 -2.294 1.00 0.00 O ATOM 344 CB ASP A 29 -17.361 -9.620 0.118 1.00 0.00 C ATOM 345 CG ASP A 29 -18.770 -9.509 -0.442 1.00 0.00 C ATOM 346 OD1 ASP A 29 -19.322 -10.539 -0.879 1.00 0.00 O ATOM 347 OD2 ASP A 29 -19.337 -8.395 -0.438 1.00 0.00 O ATOM 0 H ASP A 29 -14.506 -9.030 0.054 1.00 0.00 H new ATOM 0 HA ASP A 29 -16.494 -10.245 -1.746 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -17.257 -10.571 0.640 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -17.206 -8.833 0.856 1.00 0.00 H new ATOM 352 N GLY A 30 -15.210 -7.378 -1.305 1.00 0.00 N ATOM 353 CA GLY A 30 -15.155 -5.974 -1.677 1.00 0.00 C ATOM 354 C GLY A 30 -16.188 -5.194 -0.916 1.00 0.00 C ATOM 355 O GLY A 30 -16.572 -4.094 -1.302 1.00 0.00 O ATOM 0 H GLY A 30 -14.375 -7.724 -0.833 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -14.162 -5.574 -1.470 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -15.325 -5.867 -2.748 1.00 0.00 H new ATOM 359 N ASN A 31 -16.630 -5.779 0.185 1.00 0.00 N ATOM 360 CA ASN A 31 -17.632 -5.162 1.017 1.00 0.00 C ATOM 361 C ASN A 31 -16.975 -4.345 2.078 1.00 0.00 C ATOM 362 O ASN A 31 -16.041 -4.818 2.720 1.00 0.00 O ATOM 363 CB ASN A 31 -18.524 -6.204 1.676 1.00 0.00 C ATOM 364 CG ASN A 31 -19.962 -5.740 1.755 1.00 0.00 C ATOM 365 OD1 ASN A 31 -20.361 -5.072 2.708 1.00 0.00 O ATOM 366 ND2 ASN A 31 -20.748 -6.088 0.750 1.00 0.00 N ATOM 0 H ASN A 31 -16.304 -6.686 0.519 1.00 0.00 H new ATOM 0 HA ASN A 31 -18.249 -4.528 0.380 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -18.473 -7.136 1.113 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -18.155 -6.417 2.679 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -21.727 -5.802 0.745 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -20.375 -6.643 -0.020 1.00 0.00 H new ATOM 373 N GLU A 32 -17.416 -3.099 2.207 1.00 0.00 N ATOM 374 CA GLU A 32 -16.952 -2.232 3.266 1.00 0.00 C ATOM 375 C GLU A 32 -17.103 -2.915 4.626 1.00 0.00 C ATOM 376 O GLU A 32 -18.123 -2.757 5.299 1.00 0.00 O ATOM 377 CB GLU A 32 -17.757 -0.930 3.280 1.00 0.00 C ATOM 378 CG GLU A 32 -18.068 -0.369 1.901 1.00 0.00 C ATOM 379 CD GLU A 32 -19.001 0.817 1.965 1.00 0.00 C ATOM 380 OE1 GLU A 32 -20.157 0.641 2.399 1.00 0.00 O ATOM 381 OE2 GLU A 32 -18.582 1.931 1.594 1.00 0.00 O ATOM 0 H GLU A 32 -18.099 -2.671 1.583 1.00 0.00 H new ATOM 0 HA GLU A 32 -15.900 -2.014 3.082 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -18.694 -1.102 3.809 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -17.204 -0.181 3.847 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -17.139 -0.073 1.413 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -18.516 -1.149 1.286 1.00 0.00 H new ATOM 388 N LEU A 33 -16.094 -3.672 5.022 1.00 0.00 N ATOM 389 CA LEU A 33 -16.067 -4.314 6.328 1.00 0.00 C ATOM 390 C LEU A 33 -15.443 -3.351 7.320 1.00 0.00 C ATOM 391 O LEU A 33 -14.785 -3.736 8.290 1.00 0.00 O ATOM 392 CB LEU A 33 -15.286 -5.628 6.246 1.00 0.00 C ATOM 393 CG LEU A 33 -16.109 -6.866 5.859 1.00 0.00 C ATOM 394 CD1 LEU A 33 -17.293 -6.476 5.007 1.00 0.00 C ATOM 395 CD2 LEU A 33 -15.259 -7.845 5.080 1.00 0.00 C ATOM 0 H LEU A 33 -15.271 -3.860 4.449 1.00 0.00 H new ATOM 0 HA LEU A 33 -17.076 -4.557 6.660 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -14.482 -5.507 5.520 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -14.818 -5.813 7.213 1.00 0.00 H new ATOM 0 HG LEU A 33 -16.458 -7.331 6.781 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -17.862 -7.368 4.744 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -17.931 -5.789 5.563 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -16.942 -5.989 4.097 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -15.858 -8.716 4.814 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -14.892 -7.366 4.172 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -14.413 -8.159 5.692 1.00 0.00 H new ATOM 407 N GLY A 34 -15.691 -2.089 7.037 1.00 0.00 N ATOM 408 CA GLY A 34 -15.061 -0.988 7.711 1.00 0.00 C ATOM 409 C GLY A 34 -14.404 -0.108 6.679 1.00 0.00 C ATOM 410 O GLY A 34 -13.763 -0.615 5.767 1.00 0.00 O ATOM 0 H GLY A 34 -16.352 -1.801 6.315 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -15.798 -0.420 8.279 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -14.321 -1.353 8.424 1.00 0.00 H new ATOM 414 N SER A 35 -14.601 1.189 6.740 1.00 0.00 N ATOM 415 CA SER A 35 -13.932 2.043 5.789 1.00 0.00 C ATOM 416 C SER A 35 -12.857 2.870 6.479 1.00 0.00 C ATOM 417 O SER A 35 -13.135 3.678 7.366 1.00 0.00 O ATOM 418 CB SER A 35 -14.937 2.905 5.021 1.00 0.00 C ATOM 419 OG SER A 35 -15.720 3.701 5.899 1.00 0.00 O ATOM 0 H SER A 35 -15.200 1.664 7.416 1.00 0.00 H new ATOM 0 HA SER A 35 -13.431 1.419 5.049 1.00 0.00 H new ATOM 0 HB2 SER A 35 -14.405 3.550 4.321 1.00 0.00 H new ATOM 0 HB3 SER A 35 -15.591 2.264 4.430 1.00 0.00 H new ATOM 0 HG SER A 35 -15.203 3.903 6.706 1.00 0.00 H new ATOM 425 N GLY A 36 -11.627 2.656 6.048 1.00 0.00 N ATOM 426 CA GLY A 36 -10.483 3.220 6.722 1.00 0.00 C ATOM 427 C GLY A 36 -9.871 4.371 5.952 1.00 0.00 C ATOM 428 O GLY A 36 -10.514 4.988 5.112 1.00 0.00 O ATOM 0 H GLY A 36 -11.399 2.092 5.229 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -10.781 3.566 7.712 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -9.732 2.444 6.869 1.00 0.00 H new ATOM 432 N ILE A 37 -8.641 4.675 6.277 1.00 0.00 N ATOM 433 CA ILE A 37 -7.802 5.522 5.457 1.00 0.00 C ATOM 434 C ILE A 37 -6.712 4.655 4.882 1.00 0.00 C ATOM 435 O ILE A 37 -6.470 3.586 5.383 1.00 0.00 O ATOM 436 CB ILE A 37 -7.094 6.619 6.287 1.00 0.00 C ATOM 437 CG1 ILE A 37 -8.068 7.624 6.892 1.00 0.00 C ATOM 438 CG2 ILE A 37 -6.090 7.362 5.428 1.00 0.00 C ATOM 439 CD1 ILE A 37 -8.500 8.710 5.929 1.00 0.00 C ATOM 0 H ILE A 37 -8.186 4.340 7.126 1.00 0.00 H new ATOM 0 HA ILE A 37 -8.431 5.994 4.702 1.00 0.00 H new ATOM 0 HB ILE A 37 -6.590 6.108 7.107 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -8.951 7.092 7.246 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -7.604 8.087 7.763 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -5.599 8.131 6.025 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -5.343 6.662 5.053 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -6.605 7.828 4.588 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -9.192 9.387 6.430 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -7.626 9.268 5.594 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -8.994 8.258 5.069 1.00 0.00 H new ATOM 451 N MET A 38 -6.067 5.105 3.852 1.00 0.00 N ATOM 452 CA MET A 38 -4.812 4.551 3.463 1.00 0.00 C ATOM 453 C MET A 38 -3.837 5.689 3.235 1.00 0.00 C ATOM 454 O MET A 38 -3.813 6.316 2.177 1.00 0.00 O ATOM 455 CB MET A 38 -4.962 3.679 2.249 1.00 0.00 C ATOM 456 CG MET A 38 -3.727 2.899 1.955 1.00 0.00 C ATOM 457 SD MET A 38 -3.328 1.765 3.276 1.00 0.00 S ATOM 458 CE MET A 38 -4.909 0.948 3.385 1.00 0.00 C ATOM 0 H MET A 38 -6.397 5.866 3.258 1.00 0.00 H new ATOM 0 HA MET A 38 -4.424 3.907 4.253 1.00 0.00 H new ATOM 0 HB2 MET A 38 -5.795 2.992 2.399 1.00 0.00 H new ATOM 0 HB3 MET A 38 -5.211 4.299 1.388 1.00 0.00 H new ATOM 0 HG2 MET A 38 -3.861 2.343 1.027 1.00 0.00 H new ATOM 0 HG3 MET A 38 -2.893 3.584 1.799 1.00 0.00 H new ATOM 0 HE1 MET A 38 -4.798 0.011 3.931 1.00 0.00 H new ATOM 0 HE2 MET A 38 -5.616 1.591 3.909 1.00 0.00 H new ATOM 0 HE3 MET A 38 -5.282 0.741 2.382 1.00 0.00 H new ATOM 468 N GLU A 39 -3.079 5.969 4.277 1.00 0.00 N ATOM 469 CA GLU A 39 -2.130 7.050 4.300 1.00 0.00 C ATOM 470 C GLU A 39 -0.878 6.622 3.560 1.00 0.00 C ATOM 471 O GLU A 39 -0.178 5.711 4.000 1.00 0.00 O ATOM 472 CB GLU A 39 -1.765 7.286 5.745 1.00 0.00 C ATOM 473 CG GLU A 39 -0.667 8.295 5.996 1.00 0.00 C ATOM 474 CD GLU A 39 -1.102 9.739 5.847 1.00 0.00 C ATOM 475 OE1 GLU A 39 -1.490 10.145 4.730 1.00 0.00 O ATOM 476 OE2 GLU A 39 -1.055 10.477 6.856 1.00 0.00 O ATOM 0 H GLU A 39 -3.111 5.437 5.146 1.00 0.00 H new ATOM 0 HA GLU A 39 -2.546 7.945 3.837 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -2.659 7.612 6.276 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -1.464 6.334 6.183 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -0.277 8.147 7.003 1.00 0.00 H new ATOM 0 HG3 GLU A 39 0.153 8.102 5.305 1.00 0.00 H new ATOM 483 N LEU A 40 -0.599 7.240 2.450 1.00 0.00 N ATOM 484 CA LEU A 40 0.539 6.851 1.664 1.00 0.00 C ATOM 485 C LEU A 40 1.761 7.711 1.951 1.00 0.00 C ATOM 486 O LEU A 40 1.879 8.824 1.445 1.00 0.00 O ATOM 487 CB LEU A 40 0.177 6.939 0.200 1.00 0.00 C ATOM 488 CG LEU A 40 -0.205 5.625 -0.453 1.00 0.00 C ATOM 489 CD1 LEU A 40 -0.542 5.882 -1.892 1.00 0.00 C ATOM 490 CD2 LEU A 40 0.948 4.644 -0.358 1.00 0.00 C ATOM 0 H LEU A 40 -1.142 8.014 2.067 1.00 0.00 H new ATOM 0 HA LEU A 40 0.801 5.827 1.931 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.654 7.636 0.089 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.023 7.363 -0.342 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.068 5.196 0.057 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.819 4.944 -2.374 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.377 6.581 -1.951 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.324 6.308 -2.398 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.665 3.703 -0.830 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.820 5.057 -0.866 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.189 4.466 0.690 1.00 0.00 H new ATOM 502 N THR A 41 2.677 7.204 2.757 1.00 0.00 N ATOM 503 CA THR A 41 3.912 7.923 3.006 1.00 0.00 C ATOM 504 C THR A 41 5.079 7.269 2.276 1.00 0.00 C ATOM 505 O THR A 41 4.869 6.439 1.389 1.00 0.00 O ATOM 506 CB THR A 41 4.242 8.013 4.492 1.00 0.00 C ATOM 507 OG1 THR A 41 4.572 6.723 5.018 1.00 0.00 O ATOM 508 CG2 THR A 41 3.079 8.608 5.264 1.00 0.00 C ATOM 0 H THR A 41 2.591 6.311 3.243 1.00 0.00 H new ATOM 0 HA THR A 41 3.759 8.934 2.628 1.00 0.00 H new ATOM 0 HB THR A 41 5.107 8.666 4.605 1.00 0.00 H new ATOM 0 HG1 THR A 41 3.802 6.124 4.922 1.00 0.00 H new ATOM 0 HG21 THR A 41 3.335 8.663 6.322 1.00 0.00 H new ATOM 0 HG22 THR A 41 2.868 9.609 4.889 1.00 0.00 H new ATOM 0 HG23 THR A 41 2.198 7.979 5.136 1.00 0.00 H new ATOM 516 N ASP A 42 6.301 7.641 2.660 1.00 0.00 N ATOM 517 CA ASP A 42 7.508 7.106 2.034 1.00 0.00 C ATOM 518 C ASP A 42 7.574 5.615 2.194 1.00 0.00 C ATOM 519 O ASP A 42 7.911 4.898 1.259 1.00 0.00 O ATOM 520 CB ASP A 42 8.780 7.705 2.638 1.00 0.00 C ATOM 521 CG ASP A 42 8.650 9.179 2.975 1.00 0.00 C ATOM 522 OD1 ASP A 42 8.756 10.022 2.057 1.00 0.00 O ATOM 523 OD2 ASP A 42 8.443 9.502 4.164 1.00 0.00 O ATOM 0 H ASP A 42 6.480 8.314 3.405 1.00 0.00 H new ATOM 0 HA ASP A 42 7.452 7.374 0.979 1.00 0.00 H new ATOM 0 HB2 ASP A 42 9.038 7.154 3.543 1.00 0.00 H new ATOM 0 HB3 ASP A 42 9.604 7.571 1.937 1.00 0.00 H new ATOM 528 N THR A 43 7.275 5.127 3.377 1.00 0.00 N ATOM 529 CA THR A 43 7.444 3.723 3.608 1.00 0.00 C ATOM 530 C THR A 43 6.270 3.087 4.320 1.00 0.00 C ATOM 531 O THR A 43 6.244 1.878 4.462 1.00 0.00 O ATOM 532 CB THR A 43 8.689 3.431 4.447 1.00 0.00 C ATOM 533 OG1 THR A 43 8.457 3.765 5.819 1.00 0.00 O ATOM 534 CG2 THR A 43 9.889 4.210 3.952 1.00 0.00 C ATOM 0 H THR A 43 6.925 5.667 4.168 1.00 0.00 H new ATOM 0 HA THR A 43 7.537 3.294 2.610 1.00 0.00 H new ATOM 0 HB THR A 43 8.897 2.365 4.353 1.00 0.00 H new ATOM 0 HG1 THR A 43 8.857 4.638 6.015 1.00 0.00 H new ATOM 0 HG21 THR A 43 10.755 3.977 4.572 1.00 0.00 H new ATOM 0 HG22 THR A 43 10.099 3.937 2.918 1.00 0.00 H new ATOM 0 HG23 THR A 43 9.678 5.278 4.009 1.00 0.00 H new ATOM 542 N GLU A 44 5.319 3.861 4.795 1.00 0.00 N ATOM 543 CA GLU A 44 4.223 3.271 5.540 1.00 0.00 C ATOM 544 C GLU A 44 2.876 3.660 4.985 1.00 0.00 C ATOM 545 O GLU A 44 2.537 4.832 4.856 1.00 0.00 O ATOM 546 CB GLU A 44 4.299 3.617 7.022 1.00 0.00 C ATOM 547 CG GLU A 44 5.052 2.591 7.849 1.00 0.00 C ATOM 548 CD GLU A 44 5.274 3.038 9.278 1.00 0.00 C ATOM 549 OE1 GLU A 44 6.085 3.959 9.501 1.00 0.00 O ATOM 550 OE2 GLU A 44 4.636 2.470 10.189 1.00 0.00 O ATOM 0 H GLU A 44 5.278 4.874 4.685 1.00 0.00 H new ATOM 0 HA GLU A 44 4.329 2.192 5.430 1.00 0.00 H new ATOM 0 HB2 GLU A 44 4.782 4.588 7.135 1.00 0.00 H new ATOM 0 HB3 GLU A 44 3.287 3.716 7.415 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.497 1.653 7.849 1.00 0.00 H new ATOM 0 HG3 GLU A 44 6.016 2.391 7.382 1.00 0.00 H new ATOM 557 N LEU A 45 2.130 2.642 4.638 1.00 0.00 N ATOM 558 CA LEU A 45 0.754 2.787 4.248 1.00 0.00 C ATOM 559 C LEU A 45 -0.123 2.744 5.486 1.00 0.00 C ATOM 560 O LEU A 45 -0.573 1.688 5.916 1.00 0.00 O ATOM 561 CB LEU A 45 0.416 1.665 3.268 1.00 0.00 C ATOM 562 CG LEU A 45 0.612 1.990 1.812 1.00 0.00 C ATOM 563 CD1 LEU A 45 1.000 0.756 1.031 1.00 0.00 C ATOM 564 CD2 LEU A 45 -0.664 2.519 1.258 1.00 0.00 C ATOM 0 H LEU A 45 2.466 1.679 4.619 1.00 0.00 H new ATOM 0 HA LEU A 45 0.579 3.743 3.755 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.028 0.797 3.513 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.624 1.376 3.420 1.00 0.00 H new ATOM 0 HG LEU A 45 1.409 2.729 1.726 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.136 1.017 -0.018 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.931 0.352 1.428 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.213 0.007 1.119 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.531 2.757 0.203 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.446 1.767 1.365 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.950 3.420 1.800 1.00 0.00 H new ATOM 576 N ILE A 46 -0.359 3.911 6.050 1.00 0.00 N ATOM 577 CA ILE A 46 -1.048 4.017 7.318 1.00 0.00 C ATOM 578 C ILE A 46 -2.570 3.992 7.102 1.00 0.00 C ATOM 579 O ILE A 46 -3.203 5.007 6.839 1.00 0.00 O ATOM 580 CB ILE A 46 -0.596 5.286 8.088 1.00 0.00 C ATOM 581 CG1 ILE A 46 0.927 5.328 8.099 1.00 0.00 C ATOM 582 CG2 ILE A 46 -1.150 5.238 9.473 1.00 0.00 C ATOM 583 CD1 ILE A 46 1.547 4.728 9.309 1.00 0.00 C ATOM 0 H ILE A 46 -0.081 4.805 5.646 1.00 0.00 H new ATOM 0 HA ILE A 46 -0.785 3.156 7.933 1.00 0.00 H new ATOM 0 HB ILE A 46 -0.967 6.190 7.605 1.00 0.00 H new ATOM 0 HG12 ILE A 46 1.299 4.806 7.218 1.00 0.00 H new ATOM 0 HG13 ILE A 46 1.251 6.365 8.016 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -0.837 6.127 10.021 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -2.239 5.204 9.428 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.780 4.348 9.982 1.00 0.00 H new ATOM 0 HD11 ILE A 46 2.632 4.800 9.235 1.00 0.00 H new ATOM 0 HD12 ILE A 46 1.207 5.264 10.195 1.00 0.00 H new ATOM 0 HD13 ILE A 46 1.257 3.680 9.385 1.00 0.00 H new ATOM 595 N LEU A 47 -3.139 2.804 7.208 1.00 0.00 N ATOM 596 CA LEU A 47 -4.579 2.599 7.018 1.00 0.00 C ATOM 597 C LEU A 47 -5.332 3.029 8.284 1.00 0.00 C ATOM 598 O LEU A 47 -5.297 2.324 9.286 1.00 0.00 O ATOM 599 CB LEU A 47 -4.881 1.116 6.800 1.00 0.00 C ATOM 600 CG LEU A 47 -6.351 0.684 6.989 1.00 0.00 C ATOM 601 CD1 LEU A 47 -7.200 0.909 5.746 1.00 0.00 C ATOM 602 CD2 LEU A 47 -6.388 -0.768 7.348 1.00 0.00 C ATOM 0 H LEU A 47 -2.624 1.951 7.427 1.00 0.00 H new ATOM 0 HA LEU A 47 -4.891 3.185 6.153 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -4.573 0.849 5.789 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -4.263 0.536 7.485 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.771 1.301 7.783 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -8.223 0.586 5.941 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -7.196 1.968 5.490 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -6.790 0.334 4.916 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -7.423 -1.083 7.484 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -5.933 -1.352 6.548 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.836 -0.928 8.274 1.00 0.00 H new ATOM 614 N TYR A 48 -6.026 4.151 8.263 1.00 0.00 N ATOM 615 CA TYR A 48 -6.728 4.590 9.473 1.00 0.00 C ATOM 616 C TYR A 48 -8.068 3.880 9.565 1.00 0.00 C ATOM 617 O TYR A 48 -9.026 4.305 8.936 1.00 0.00 O ATOM 618 CB TYR A 48 -6.972 6.101 9.487 1.00 0.00 C ATOM 619 CG TYR A 48 -5.740 6.935 9.644 1.00 0.00 C ATOM 620 CD1 TYR A 48 -4.687 6.703 8.828 1.00 0.00 C ATOM 621 CD2 TYR A 48 -5.638 7.954 10.582 1.00 0.00 C ATOM 622 CE1 TYR A 48 -3.553 7.428 8.897 1.00 0.00 C ATOM 623 CE2 TYR A 48 -4.481 8.711 10.675 1.00 0.00 C ATOM 624 CZ TYR A 48 -3.433 8.442 9.819 1.00 0.00 C ATOM 625 OH TYR A 48 -2.278 9.189 9.872 1.00 0.00 O ATOM 0 H TYR A 48 -6.123 4.764 7.454 1.00 0.00 H new ATOM 0 HA TYR A 48 -6.094 4.342 10.324 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -7.469 6.383 8.559 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -7.659 6.336 10.300 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -4.757 5.911 8.097 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -6.467 8.158 11.244 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -2.735 7.212 8.226 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -4.401 9.501 11.407 1.00 0.00 H new ATOM 0 HH TYR A 48 -2.357 9.864 10.578 1.00 0.00 H new ATOM 635 N THR A 49 -8.152 2.816 10.352 1.00 0.00 N ATOM 636 CA THR A 49 -9.394 2.054 10.421 1.00 0.00 C ATOM 637 C THR A 49 -10.432 2.752 11.298 1.00 0.00 C ATOM 638 O THR A 49 -10.180 3.833 11.834 1.00 0.00 O ATOM 639 CB THR A 49 -9.196 0.628 10.937 1.00 0.00 C ATOM 640 OG1 THR A 49 -8.439 0.641 12.132 1.00 0.00 O ATOM 641 CG2 THR A 49 -8.506 -0.221 9.902 1.00 0.00 C ATOM 0 H THR A 49 -7.395 2.466 10.939 1.00 0.00 H new ATOM 0 HA THR A 49 -9.752 1.998 9.393 1.00 0.00 H new ATOM 0 HB THR A 49 -10.177 0.199 11.141 1.00 0.00 H new ATOM 0 HG1 THR A 49 -7.494 0.788 11.919 1.00 0.00 H new ATOM 0 HG21 THR A 49 -8.375 -1.232 10.289 1.00 0.00 H new ATOM 0 HG22 THR A 49 -9.112 -0.255 8.997 1.00 0.00 H new ATOM 0 HG23 THR A 49 -7.531 0.208 9.670 1.00 0.00 H new ATOM 649 N ARG A 50 -11.588 2.121 11.453 1.00 0.00 N ATOM 650 CA ARG A 50 -12.665 2.676 12.259 1.00 0.00 C ATOM 651 C ARG A 50 -12.302 2.742 13.735 1.00 0.00 C ATOM 652 O ARG A 50 -12.129 3.821 14.299 1.00 0.00 O ATOM 653 CB ARG A 50 -13.909 1.824 12.099 1.00 0.00 C ATOM 654 CG ARG A 50 -15.016 2.514 11.343 1.00 0.00 C ATOM 655 CD ARG A 50 -16.321 2.373 12.086 1.00 0.00 C ATOM 656 NE ARG A 50 -17.417 3.076 11.423 1.00 0.00 N ATOM 657 CZ ARG A 50 -18.698 2.951 11.765 1.00 0.00 C ATOM 658 NH1 ARG A 50 -19.039 2.238 12.832 1.00 0.00 N ATOM 659 NH2 ARG A 50 -19.632 3.572 11.060 1.00 0.00 N ATOM 0 H ARG A 50 -11.804 1.219 11.028 1.00 0.00 H new ATOM 0 HA ARG A 50 -12.844 3.692 11.908 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -13.645 0.903 11.580 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -14.275 1.540 13.086 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -14.775 3.569 11.214 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -15.109 2.084 10.346 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -16.572 1.316 12.176 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -16.204 2.760 13.098 1.00 0.00 H new ATOM 0 HE ARG A 50 -17.187 3.701 10.651 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -18.319 1.784 13.393 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -20.021 2.145 13.090 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -19.369 4.144 10.257 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -20.614 3.478 11.320 1.00 0.00 H new ATOM 673 N LYS A 51 -12.208 1.581 14.353 1.00 0.00 N ATOM 674 CA LYS A 51 -11.960 1.477 15.782 1.00 0.00 C ATOM 675 C LYS A 51 -10.615 0.823 16.067 1.00 0.00 C ATOM 676 O LYS A 51 -10.071 0.929 17.166 1.00 0.00 O ATOM 677 CB LYS A 51 -13.111 0.729 16.409 1.00 0.00 C ATOM 678 CG LYS A 51 -14.388 1.554 16.407 1.00 0.00 C ATOM 679 CD LYS A 51 -14.400 2.539 17.565 1.00 0.00 C ATOM 680 CE LYS A 51 -13.813 3.898 17.215 1.00 0.00 C ATOM 681 NZ LYS A 51 -14.330 4.437 15.934 1.00 0.00 N ATOM 0 H LYS A 51 -12.301 0.682 13.881 1.00 0.00 H new ATOM 0 HA LYS A 51 -11.902 2.471 16.225 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -13.278 -0.201 15.867 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -12.854 0.459 17.433 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -14.475 2.094 15.464 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -15.252 0.894 16.477 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -15.426 2.673 17.906 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -13.840 2.114 18.398 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -14.037 4.602 18.016 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -12.728 3.815 17.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -14.529 5.452 16.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -13.619 4.299 15.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -15.205 3.938 15.675 1.00 0.00 H new ATOM 695 N ARG A 52 -10.086 0.148 15.058 1.00 0.00 N ATOM 696 CA ARG A 52 -8.766 -0.464 15.129 1.00 0.00 C ATOM 697 C ARG A 52 -7.685 0.623 15.002 1.00 0.00 C ATOM 698 O ARG A 52 -6.516 0.412 15.336 1.00 0.00 O ATOM 699 CB ARG A 52 -8.666 -1.527 14.015 1.00 0.00 C ATOM 700 CG ARG A 52 -7.310 -2.197 13.830 1.00 0.00 C ATOM 701 CD ARG A 52 -6.868 -2.938 15.076 1.00 0.00 C ATOM 702 NE ARG A 52 -5.869 -2.198 15.842 1.00 0.00 N ATOM 703 CZ ARG A 52 -5.540 -2.475 17.103 1.00 0.00 C ATOM 704 NH1 ARG A 52 -6.162 -3.441 17.764 1.00 0.00 N ATOM 705 NH2 ARG A 52 -4.591 -1.776 17.705 1.00 0.00 N ATOM 0 H ARG A 52 -10.560 0.008 14.165 1.00 0.00 H new ATOM 0 HA ARG A 52 -8.610 -0.957 16.089 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -9.404 -2.303 14.217 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -8.946 -1.059 13.071 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -7.361 -2.893 12.993 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -6.565 -1.444 13.573 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -7.736 -3.131 15.707 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -6.459 -3.908 14.792 1.00 0.00 H new ATOM 0 HE ARG A 52 -5.394 -1.421 15.383 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -6.899 -3.979 17.307 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -5.904 -3.647 18.729 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -4.113 -1.027 17.204 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -4.337 -1.986 18.670 1.00 0.00 H new ATOM 719 N ASP A 53 -8.123 1.810 14.565 1.00 0.00 N ATOM 720 CA ASP A 53 -7.263 2.962 14.344 1.00 0.00 C ATOM 721 C ASP A 53 -6.185 2.677 13.301 1.00 0.00 C ATOM 722 O ASP A 53 -6.138 1.603 12.708 1.00 0.00 O ATOM 723 CB ASP A 53 -6.696 3.439 15.682 1.00 0.00 C ATOM 724 CG ASP A 53 -5.634 4.519 15.581 1.00 0.00 C ATOM 725 OD1 ASP A 53 -5.974 5.663 15.210 1.00 0.00 O ATOM 726 OD2 ASP A 53 -4.455 4.228 15.858 1.00 0.00 O ATOM 0 H ASP A 53 -9.104 1.992 14.353 1.00 0.00 H new ATOM 0 HA ASP A 53 -7.855 3.775 13.925 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -7.516 3.814 16.294 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.273 2.582 16.206 1.00 0.00 H new ATOM 731 N SER A 54 -5.386 3.681 13.042 1.00 0.00 N ATOM 732 CA SER A 54 -4.308 3.631 12.067 1.00 0.00 C ATOM 733 C SER A 54 -3.498 2.335 12.125 1.00 0.00 C ATOM 734 O SER A 54 -2.611 2.150 12.959 1.00 0.00 O ATOM 735 CB SER A 54 -3.404 4.850 12.232 1.00 0.00 C ATOM 736 OG SER A 54 -2.969 5.006 13.576 1.00 0.00 O ATOM 0 H SER A 54 -5.463 4.583 13.512 1.00 0.00 H new ATOM 0 HA SER A 54 -4.768 3.649 11.079 1.00 0.00 H new ATOM 0 HB2 SER A 54 -2.537 4.751 11.579 1.00 0.00 H new ATOM 0 HB3 SER A 54 -3.940 5.745 11.917 1.00 0.00 H new ATOM 0 HG SER A 54 -3.595 4.551 14.177 1.00 0.00 H new ATOM 742 N VAL A 55 -3.864 1.440 11.230 1.00 0.00 N ATOM 743 CA VAL A 55 -3.058 0.289 10.879 1.00 0.00 C ATOM 744 C VAL A 55 -1.993 0.768 9.918 1.00 0.00 C ATOM 745 O VAL A 55 -2.120 1.857 9.374 1.00 0.00 O ATOM 746 CB VAL A 55 -3.893 -0.783 10.182 1.00 0.00 C ATOM 747 CG1 VAL A 55 -3.120 -2.048 10.030 1.00 0.00 C ATOM 748 CG2 VAL A 55 -5.167 -1.076 10.920 1.00 0.00 C ATOM 0 H VAL A 55 -4.744 1.493 10.718 1.00 0.00 H new ATOM 0 HA VAL A 55 -2.633 -0.147 11.783 1.00 0.00 H new ATOM 0 HB VAL A 55 -4.145 -0.385 9.199 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -3.738 -2.794 9.531 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -2.227 -1.859 9.434 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -2.829 -2.417 11.013 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -5.728 -1.844 10.387 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.933 -1.429 11.924 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -5.767 -0.168 10.985 1.00 0.00 H new ATOM 758 N LYS A 56 -0.931 0.017 9.718 1.00 0.00 N ATOM 759 CA LYS A 56 0.103 0.487 8.796 1.00 0.00 C ATOM 760 C LYS A 56 0.591 -0.626 7.885 1.00 0.00 C ATOM 761 O LYS A 56 0.565 -1.803 8.257 1.00 0.00 O ATOM 762 CB LYS A 56 1.341 1.091 9.463 1.00 0.00 C ATOM 763 CG LYS A 56 1.288 1.391 10.942 1.00 0.00 C ATOM 764 CD LYS A 56 0.109 2.229 11.373 1.00 0.00 C ATOM 765 CE LYS A 56 0.590 3.441 12.103 1.00 0.00 C ATOM 766 NZ LYS A 56 -0.376 3.939 13.114 1.00 0.00 N ATOM 0 H LYS A 56 -0.755 -0.887 10.157 1.00 0.00 H new ATOM 0 HA LYS A 56 -0.403 1.275 8.239 1.00 0.00 H new ATOM 0 HB2 LYS A 56 2.175 0.410 9.292 1.00 0.00 H new ATOM 0 HB3 LYS A 56 1.577 2.020 8.944 1.00 0.00 H new ATOM 0 HG2 LYS A 56 1.266 0.449 11.490 1.00 0.00 H new ATOM 0 HG3 LYS A 56 2.206 1.905 11.228 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -0.476 2.526 10.502 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -0.550 1.644 12.015 1.00 0.00 H new ATOM 0 HE2 LYS A 56 1.534 3.209 12.596 1.00 0.00 H new ATOM 0 HE3 LYS A 56 0.793 4.234 11.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -0.652 4.914 12.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -1.220 3.331 13.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 0.066 3.921 14.055 1.00 0.00 H new ATOM 780 N TRP A 57 1.050 -0.240 6.700 1.00 0.00 N ATOM 781 CA TRP A 57 1.710 -1.157 5.788 1.00 0.00 C ATOM 782 C TRP A 57 3.008 -0.595 5.270 1.00 0.00 C ATOM 783 O TRP A 57 3.035 0.167 4.307 1.00 0.00 O ATOM 784 CB TRP A 57 0.798 -1.566 4.645 1.00 0.00 C ATOM 785 CG TRP A 57 -0.044 -2.705 5.079 1.00 0.00 C ATOM 786 CD1 TRP A 57 0.263 -4.020 4.963 1.00 0.00 C ATOM 787 CD2 TRP A 57 -1.295 -2.639 5.751 1.00 0.00 C ATOM 788 NE1 TRP A 57 -0.735 -4.786 5.509 1.00 0.00 N ATOM 789 CE2 TRP A 57 -1.704 -3.960 5.998 1.00 0.00 C ATOM 790 CE3 TRP A 57 -2.115 -1.591 6.156 1.00 0.00 C ATOM 791 CZ2 TRP A 57 -2.895 -4.255 6.638 1.00 0.00 C ATOM 792 CZ3 TRP A 57 -3.293 -1.891 6.788 1.00 0.00 C ATOM 793 CH2 TRP A 57 -3.673 -3.206 7.024 1.00 0.00 C ATOM 0 H TRP A 57 0.974 0.714 6.348 1.00 0.00 H new ATOM 0 HA TRP A 57 1.946 -2.054 6.360 1.00 0.00 H new ATOM 0 HB2 TRP A 57 0.170 -0.727 4.347 1.00 0.00 H new ATOM 0 HB3 TRP A 57 1.390 -1.847 3.774 1.00 0.00 H new ATOM 0 HD1 TRP A 57 1.162 -4.408 4.507 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -0.750 -5.805 5.544 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -1.830 -0.565 5.976 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -3.195 -5.276 6.824 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -3.940 -1.088 7.109 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -4.609 -3.401 7.526 1.00 0.00 H new ATOM 804 N HIS A 58 4.091 -0.973 5.925 1.00 0.00 N ATOM 805 CA HIS A 58 5.404 -0.561 5.490 1.00 0.00 C ATOM 806 C HIS A 58 5.672 -1.151 4.095 1.00 0.00 C ATOM 807 O HIS A 58 5.224 -2.245 3.769 1.00 0.00 O ATOM 808 CB HIS A 58 6.479 -1.001 6.498 1.00 0.00 C ATOM 809 CG HIS A 58 7.824 -0.415 6.204 1.00 0.00 C ATOM 810 ND1 HIS A 58 8.723 -1.006 5.351 1.00 0.00 N ATOM 811 CD2 HIS A 58 8.380 0.756 6.580 1.00 0.00 C ATOM 812 CE1 HIS A 58 9.767 -0.213 5.190 1.00 0.00 C ATOM 813 NE2 HIS A 58 9.587 0.859 5.935 1.00 0.00 N ATOM 0 H HIS A 58 4.083 -1.563 6.757 1.00 0.00 H new ATOM 0 HA HIS A 58 5.446 0.527 5.433 1.00 0.00 H new ATOM 0 HB2 HIS A 58 6.171 -0.707 7.502 1.00 0.00 H new ATOM 0 HB3 HIS A 58 6.552 -2.089 6.492 1.00 0.00 H new ATOM 0 HD2 HIS A 58 7.954 1.478 7.262 1.00 0.00 H new ATOM 0 HE1 HIS A 58 10.620 -0.409 4.558 1.00 0.00 H new ATOM 0 HE2 HIS A 58 10.239 1.639 6.019 1.00 0.00 H new ATOM 822 N TYR A 59 6.377 -0.394 3.275 1.00 0.00 N ATOM 823 CA TYR A 59 6.607 -0.730 1.871 1.00 0.00 C ATOM 824 C TYR A 59 7.441 -1.990 1.704 1.00 0.00 C ATOM 825 O TYR A 59 7.361 -2.666 0.685 1.00 0.00 O ATOM 826 CB TYR A 59 7.301 0.439 1.201 1.00 0.00 C ATOM 827 CG TYR A 59 6.363 1.513 0.749 1.00 0.00 C ATOM 828 CD1 TYR A 59 5.249 1.819 1.493 1.00 0.00 C ATOM 829 CD2 TYR A 59 6.588 2.207 -0.418 1.00 0.00 C ATOM 830 CE1 TYR A 59 4.375 2.800 1.101 1.00 0.00 C ATOM 831 CE2 TYR A 59 5.729 3.193 -0.826 1.00 0.00 C ATOM 832 CZ TYR A 59 4.626 3.492 -0.064 1.00 0.00 C ATOM 833 OH TYR A 59 3.784 4.490 -0.471 1.00 0.00 O ATOM 0 H TYR A 59 6.813 0.482 3.562 1.00 0.00 H new ATOM 0 HA TYR A 59 5.641 -0.926 1.406 1.00 0.00 H new ATOM 0 HB2 TYR A 59 8.024 0.868 1.895 1.00 0.00 H new ATOM 0 HB3 TYR A 59 7.863 0.073 0.341 1.00 0.00 H new ATOM 0 HD1 TYR A 59 5.058 1.275 2.406 1.00 0.00 H new ATOM 0 HD2 TYR A 59 7.453 1.971 -1.020 1.00 0.00 H new ATOM 0 HE1 TYR A 59 3.503 3.027 1.696 1.00 0.00 H new ATOM 0 HE2 TYR A 59 5.918 3.733 -1.742 1.00 0.00 H new ATOM 0 HH TYR A 59 3.956 5.298 0.055 1.00 0.00 H new ATOM 843 N LEU A 60 8.243 -2.293 2.712 1.00 0.00 N ATOM 844 CA LEU A 60 9.016 -3.529 2.747 1.00 0.00 C ATOM 845 C LEU A 60 8.139 -4.662 3.234 1.00 0.00 C ATOM 846 O LEU A 60 8.615 -5.705 3.660 1.00 0.00 O ATOM 847 CB LEU A 60 10.239 -3.390 3.654 1.00 0.00 C ATOM 848 CG LEU A 60 11.551 -3.090 2.941 1.00 0.00 C ATOM 849 CD1 LEU A 60 12.024 -4.284 2.118 1.00 0.00 C ATOM 850 CD2 LEU A 60 11.376 -1.885 2.065 1.00 0.00 C ATOM 0 H LEU A 60 8.378 -1.694 3.526 1.00 0.00 H new ATOM 0 HA LEU A 60 9.367 -3.744 1.738 1.00 0.00 H new ATOM 0 HB2 LEU A 60 10.047 -2.595 4.375 1.00 0.00 H new ATOM 0 HB3 LEU A 60 10.356 -4.313 4.221 1.00 0.00 H new ATOM 0 HG LEU A 60 12.316 -2.888 3.691 1.00 0.00 H new ATOM 0 HD11 LEU A 60 12.963 -4.036 1.623 1.00 0.00 H new ATOM 0 HD12 LEU A 60 12.176 -5.141 2.774 1.00 0.00 H new ATOM 0 HD13 LEU A 60 11.272 -4.530 1.368 1.00 0.00 H new ATOM 0 HD21 LEU A 60 12.314 -1.668 1.553 1.00 0.00 H new ATOM 0 HD22 LEU A 60 10.597 -2.081 1.328 1.00 0.00 H new ATOM 0 HD23 LEU A 60 11.090 -1.029 2.676 1.00 0.00 H new ATOM 862 N CYS A 61 6.852 -4.429 3.210 1.00 0.00 N ATOM 863 CA CYS A 61 5.906 -5.417 3.648 1.00 0.00 C ATOM 864 C CYS A 61 4.953 -5.730 2.509 1.00 0.00 C ATOM 865 O CYS A 61 4.486 -6.859 2.378 1.00 0.00 O ATOM 866 CB CYS A 61 5.157 -4.925 4.887 1.00 0.00 C ATOM 867 SG CYS A 61 4.258 -6.211 5.772 1.00 0.00 S ATOM 0 H CYS A 61 6.435 -3.556 2.889 1.00 0.00 H new ATOM 0 HA CYS A 61 6.429 -6.332 3.927 1.00 0.00 H new ATOM 0 HB2 CYS A 61 5.871 -4.463 5.569 1.00 0.00 H new ATOM 0 HB3 CYS A 61 4.454 -4.148 4.587 1.00 0.00 H new ATOM 0 HG CYS A 61 4.768 -7.372 5.486 1.00 0.00 H new ATOM 873 N LEU A 62 4.689 -4.725 1.672 1.00 0.00 N ATOM 874 CA LEU A 62 3.940 -4.933 0.448 1.00 0.00 C ATOM 875 C LEU A 62 4.623 -5.993 -0.409 1.00 0.00 C ATOM 876 O LEU A 62 5.844 -6.106 -0.420 1.00 0.00 O ATOM 877 CB LEU A 62 3.823 -3.631 -0.363 1.00 0.00 C ATOM 878 CG LEU A 62 2.971 -2.500 0.241 1.00 0.00 C ATOM 879 CD1 LEU A 62 2.205 -1.791 -0.866 1.00 0.00 C ATOM 880 CD2 LEU A 62 2.034 -3.015 1.330 1.00 0.00 C ATOM 0 H LEU A 62 4.986 -3.762 1.826 1.00 0.00 H new ATOM 0 HA LEU A 62 2.939 -5.265 0.724 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.829 -3.245 -0.529 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.411 -3.878 -1.342 1.00 0.00 H new ATOM 0 HG LEU A 62 3.638 -1.784 0.721 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.602 -0.991 -0.437 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.909 -1.370 -1.584 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.554 -2.504 -1.372 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.451 -2.186 1.730 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.361 -3.761 0.908 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.620 -3.466 2.131 1.00 0.00 H new ATOM 892 N ARG A 63 3.823 -6.822 -1.034 1.00 0.00 N ATOM 893 CA ARG A 63 4.291 -7.740 -2.050 1.00 0.00 C ATOM 894 C ARG A 63 3.625 -7.418 -3.367 1.00 0.00 C ATOM 895 O ARG A 63 4.291 -7.089 -4.338 1.00 0.00 O ATOM 896 CB ARG A 63 4.017 -9.190 -1.656 1.00 0.00 C ATOM 897 CG ARG A 63 5.008 -9.742 -0.651 1.00 0.00 C ATOM 898 CD ARG A 63 6.424 -9.665 -1.192 1.00 0.00 C ATOM 899 NE ARG A 63 7.364 -10.448 -0.399 1.00 0.00 N ATOM 900 CZ ARG A 63 8.427 -11.061 -0.917 1.00 0.00 C ATOM 901 NH1 ARG A 63 8.699 -10.938 -2.211 1.00 0.00 N ATOM 902 NH2 ARG A 63 9.210 -11.801 -0.146 1.00 0.00 N ATOM 0 H ARG A 63 2.821 -6.881 -0.852 1.00 0.00 H new ATOM 0 HA ARG A 63 5.370 -7.624 -2.151 1.00 0.00 H new ATOM 0 HB2 ARG A 63 3.012 -9.261 -1.240 1.00 0.00 H new ATOM 0 HB3 ARG A 63 4.036 -9.811 -2.552 1.00 0.00 H new ATOM 0 HG2 ARG A 63 4.939 -9.180 0.281 1.00 0.00 H new ATOM 0 HG3 ARG A 63 4.759 -10.777 -0.419 1.00 0.00 H new ATOM 0 HD2 ARG A 63 6.437 -10.021 -2.222 1.00 0.00 H new ATOM 0 HD3 ARG A 63 6.747 -8.624 -1.211 1.00 0.00 H new ATOM 0 HE ARG A 63 7.199 -10.531 0.604 1.00 0.00 H new ATOM 0 HH11 ARG A 63 8.094 -10.374 -2.808 1.00 0.00 H new ATOM 0 HH12 ARG A 63 9.513 -11.407 -2.608 1.00 0.00 H new ATOM 0 HH21 ARG A 63 8.999 -11.902 0.847 1.00 0.00 H new ATOM 0 HH22 ARG A 63 10.023 -12.269 -0.545 1.00 0.00 H new ATOM 916 N ARG A 64 2.298 -7.491 -3.394 1.00 0.00 N ATOM 917 CA ARG A 64 1.569 -7.165 -4.614 1.00 0.00 C ATOM 918 C ARG A 64 0.461 -6.167 -4.336 1.00 0.00 C ATOM 919 O ARG A 64 -0.462 -6.439 -3.597 1.00 0.00 O ATOM 920 CB ARG A 64 1.024 -8.430 -5.292 1.00 0.00 C ATOM 921 CG ARG A 64 -0.130 -9.126 -4.625 1.00 0.00 C ATOM 922 CD ARG A 64 -0.447 -10.412 -5.364 1.00 0.00 C ATOM 923 NE ARG A 64 0.565 -11.435 -5.074 1.00 0.00 N ATOM 924 CZ ARG A 64 0.684 -12.594 -5.717 1.00 0.00 C ATOM 925 NH1 ARG A 64 -0.169 -12.920 -6.671 1.00 0.00 N ATOM 926 NH2 ARG A 64 1.647 -13.438 -5.383 1.00 0.00 N ATOM 0 H ARG A 64 1.716 -7.767 -2.603 1.00 0.00 H new ATOM 0 HA ARG A 64 2.270 -6.699 -5.306 1.00 0.00 H new ATOM 0 HB2 ARG A 64 0.719 -8.166 -6.305 1.00 0.00 H new ATOM 0 HB3 ARG A 64 1.843 -9.144 -5.382 1.00 0.00 H new ATOM 0 HG2 ARG A 64 0.116 -9.344 -3.586 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -1.004 -8.475 -4.617 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -1.432 -10.774 -5.070 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -0.484 -10.222 -6.437 1.00 0.00 H new ATOM 0 HE ARG A 64 1.227 -11.243 -4.322 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -0.925 -12.282 -6.919 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -0.072 -13.810 -7.160 1.00 0.00 H new ATOM 0 HH21 ARG A 64 2.297 -13.200 -4.634 1.00 0.00 H new ATOM 0 HH22 ARG A 64 1.740 -14.327 -5.875 1.00 0.00 H new ATOM 940 N TYR A 65 0.542 -5.026 -4.976 1.00 0.00 N ATOM 941 CA TYR A 65 -0.340 -3.916 -4.679 1.00 0.00 C ATOM 942 C TYR A 65 -0.979 -3.403 -5.945 1.00 0.00 C ATOM 943 O TYR A 65 -0.348 -3.386 -6.994 1.00 0.00 O ATOM 944 CB TYR A 65 0.429 -2.811 -3.955 1.00 0.00 C ATOM 945 CG TYR A 65 1.718 -2.408 -4.631 1.00 0.00 C ATOM 946 CD1 TYR A 65 2.811 -3.258 -4.657 1.00 0.00 C ATOM 947 CD2 TYR A 65 1.847 -1.172 -5.229 1.00 0.00 C ATOM 948 CE1 TYR A 65 3.983 -2.886 -5.274 1.00 0.00 C ATOM 949 CE2 TYR A 65 3.003 -0.793 -5.838 1.00 0.00 C ATOM 950 CZ TYR A 65 4.075 -1.652 -5.868 1.00 0.00 C ATOM 951 OH TYR A 65 5.242 -1.277 -6.499 1.00 0.00 O ATOM 0 H TYR A 65 1.218 -4.838 -5.716 1.00 0.00 H new ATOM 0 HA TYR A 65 -1.136 -4.259 -4.019 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -0.213 -1.934 -3.869 1.00 0.00 H new ATOM 0 HB3 TYR A 65 0.652 -3.143 -2.941 1.00 0.00 H new ATOM 0 HD1 TYR A 65 2.742 -4.227 -4.186 1.00 0.00 H new ATOM 0 HD2 TYR A 65 1.011 -0.489 -5.213 1.00 0.00 H new ATOM 0 HE1 TYR A 65 4.826 -3.561 -5.291 1.00 0.00 H new ATOM 0 HE2 TYR A 65 3.078 0.182 -6.297 1.00 0.00 H new ATOM 0 HH TYR A 65 5.819 -0.803 -5.865 1.00 0.00 H new ATOM 961 N GLY A 66 -2.234 -3.005 -5.856 1.00 0.00 N ATOM 962 CA GLY A 66 -2.987 -2.760 -7.055 1.00 0.00 C ATOM 963 C GLY A 66 -4.072 -1.735 -6.923 1.00 0.00 C ATOM 964 O GLY A 66 -4.184 -1.023 -5.928 1.00 0.00 O ATOM 0 H GLY A 66 -2.738 -2.849 -4.983 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -2.300 -2.441 -7.839 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -3.433 -3.699 -7.384 1.00 0.00 H new ATOM 968 N TYR A 67 -4.909 -1.756 -7.933 1.00 0.00 N ATOM 969 CA TYR A 67 -5.969 -0.791 -8.137 1.00 0.00 C ATOM 970 C TYR A 67 -6.976 -1.379 -9.120 1.00 0.00 C ATOM 971 O TYR A 67 -6.585 -1.864 -10.179 1.00 0.00 O ATOM 972 CB TYR A 67 -5.389 0.503 -8.723 1.00 0.00 C ATOM 973 CG TYR A 67 -6.294 1.146 -9.750 1.00 0.00 C ATOM 974 CD1 TYR A 67 -7.550 1.588 -9.384 1.00 0.00 C ATOM 975 CD2 TYR A 67 -5.907 1.293 -11.077 1.00 0.00 C ATOM 976 CE1 TYR A 67 -8.403 2.155 -10.293 1.00 0.00 C ATOM 977 CE2 TYR A 67 -6.756 1.867 -12.004 1.00 0.00 C ATOM 978 CZ TYR A 67 -8.007 2.296 -11.608 1.00 0.00 C ATOM 979 OH TYR A 67 -8.863 2.859 -12.527 1.00 0.00 O ATOM 0 H TYR A 67 -4.871 -2.469 -8.662 1.00 0.00 H new ATOM 0 HA TYR A 67 -6.452 -0.567 -7.186 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -5.206 1.211 -7.915 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -4.424 0.287 -9.182 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -7.867 1.484 -8.357 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -4.930 0.954 -11.388 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -9.381 2.490 -9.982 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -6.443 1.979 -13.032 1.00 0.00 H new ATOM 0 HH TYR A 67 -8.429 2.885 -13.405 1.00 0.00 H new ATOM 989 N ASP A 68 -8.252 -1.372 -8.766 1.00 0.00 N ATOM 990 CA ASP A 68 -9.284 -1.638 -9.742 1.00 0.00 C ATOM 991 C ASP A 68 -10.598 -0.969 -9.385 1.00 0.00 C ATOM 992 O ASP A 68 -11.237 -1.348 -8.420 1.00 0.00 O ATOM 993 CB ASP A 68 -9.513 -3.116 -9.935 1.00 0.00 C ATOM 994 CG ASP A 68 -10.491 -3.364 -11.087 1.00 0.00 C ATOM 995 OD1 ASP A 68 -10.028 -3.423 -12.248 1.00 0.00 O ATOM 996 OD2 ASP A 68 -11.716 -3.480 -10.856 1.00 0.00 O ATOM 0 H ASP A 68 -8.590 -1.187 -7.821 1.00 0.00 H new ATOM 0 HA ASP A 68 -8.921 -1.213 -10.678 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -8.565 -3.612 -10.142 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -9.907 -3.552 -9.017 1.00 0.00 H new ATOM 1001 N SER A 69 -10.982 0.032 -10.169 1.00 0.00 N ATOM 1002 CA SER A 69 -12.272 0.702 -10.020 1.00 0.00 C ATOM 1003 C SER A 69 -12.591 0.992 -8.548 1.00 0.00 C ATOM 1004 O SER A 69 -13.537 0.435 -7.977 1.00 0.00 O ATOM 1005 CB SER A 69 -13.370 -0.149 -10.661 1.00 0.00 C ATOM 1006 OG SER A 69 -14.567 0.592 -10.847 1.00 0.00 O ATOM 0 H SER A 69 -10.409 0.403 -10.927 1.00 0.00 H new ATOM 0 HA SER A 69 -12.222 1.664 -10.531 1.00 0.00 H new ATOM 0 HB2 SER A 69 -13.023 -0.527 -11.623 1.00 0.00 H new ATOM 0 HB3 SER A 69 -13.573 -1.016 -10.032 1.00 0.00 H new ATOM 0 HG SER A 69 -15.246 0.018 -11.260 1.00 0.00 H new ATOM 1012 N ASN A 70 -11.783 1.867 -7.956 1.00 0.00 N ATOM 1013 CA ASN A 70 -11.884 2.235 -6.540 1.00 0.00 C ATOM 1014 C ASN A 70 -11.613 1.053 -5.603 1.00 0.00 C ATOM 1015 O ASN A 70 -12.106 1.019 -4.484 1.00 0.00 O ATOM 1016 CB ASN A 70 -13.231 2.862 -6.205 1.00 0.00 C ATOM 1017 CG ASN A 70 -13.547 4.068 -7.065 1.00 0.00 C ATOM 1018 OD1 ASN A 70 -12.647 4.748 -7.557 1.00 0.00 O ATOM 1019 ND2 ASN A 70 -14.824 4.355 -7.239 1.00 0.00 N ATOM 0 H ASN A 70 -11.030 2.348 -8.448 1.00 0.00 H new ATOM 0 HA ASN A 70 -11.105 2.980 -6.376 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -14.015 2.116 -6.331 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -13.238 3.158 -5.156 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -15.093 5.165 -7.798 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -15.541 3.767 -6.815 1.00 0.00 H new ATOM 1026 N LEU A 71 -10.837 0.085 -6.060 1.00 0.00 N ATOM 1027 CA LEU A 71 -10.328 -0.971 -5.186 1.00 0.00 C ATOM 1028 C LEU A 71 -8.790 -0.900 -5.197 1.00 0.00 C ATOM 1029 O LEU A 71 -8.183 -1.182 -6.215 1.00 0.00 O ATOM 1030 CB LEU A 71 -10.784 -2.357 -5.721 1.00 0.00 C ATOM 1031 CG LEU A 71 -11.596 -3.277 -4.773 1.00 0.00 C ATOM 1032 CD1 LEU A 71 -11.253 -4.763 -4.912 1.00 0.00 C ATOM 1033 CD2 LEU A 71 -11.439 -2.875 -3.330 1.00 0.00 C ATOM 0 H LEU A 71 -10.542 0.004 -7.033 1.00 0.00 H new ATOM 0 HA LEU A 71 -10.709 -0.839 -4.173 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -11.384 -2.188 -6.615 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -9.894 -2.903 -6.033 1.00 0.00 H new ATOM 0 HG LEU A 71 -12.632 -3.143 -5.084 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -11.861 -5.343 -4.218 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -11.456 -5.089 -5.932 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -10.198 -4.916 -4.685 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -12.024 -3.545 -2.700 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -10.388 -2.936 -3.047 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -11.791 -1.852 -3.197 1.00 0.00 H new ATOM 1045 N PHE A 72 -8.150 -0.520 -4.096 1.00 0.00 N ATOM 1046 CA PHE A 72 -6.681 -0.535 -4.039 1.00 0.00 C ATOM 1047 C PHE A 72 -6.245 -1.681 -3.150 1.00 0.00 C ATOM 1048 O PHE A 72 -6.828 -1.909 -2.101 1.00 0.00 O ATOM 1049 CB PHE A 72 -6.081 0.812 -3.555 1.00 0.00 C ATOM 1050 CG PHE A 72 -5.048 0.706 -2.468 1.00 0.00 C ATOM 1051 CD1 PHE A 72 -5.432 0.670 -1.146 1.00 0.00 C ATOM 1052 CD2 PHE A 72 -3.688 0.656 -2.762 1.00 0.00 C ATOM 1053 CE1 PHE A 72 -4.487 0.588 -0.157 1.00 0.00 C ATOM 1054 CE2 PHE A 72 -2.760 0.578 -1.776 1.00 0.00 C ATOM 1055 CZ PHE A 72 -3.152 0.547 -0.485 1.00 0.00 C ATOM 0 H PHE A 72 -8.609 -0.202 -3.242 1.00 0.00 H new ATOM 0 HA PHE A 72 -6.299 -0.678 -5.050 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -5.633 1.318 -4.410 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -6.894 1.445 -3.199 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -6.480 0.706 -0.888 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -3.367 0.680 -3.793 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -4.790 0.556 0.879 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -1.709 0.541 -2.023 1.00 0.00 H new ATOM 0 HZ PHE A 72 -2.410 0.489 0.298 1.00 0.00 H new ATOM 1065 N SER A 73 -5.242 -2.412 -3.568 1.00 0.00 N ATOM 1066 CA SER A 73 -4.856 -3.604 -2.847 1.00 0.00 C ATOM 1067 C SER A 73 -3.364 -3.644 -2.583 1.00 0.00 C ATOM 1068 O SER A 73 -2.604 -2.885 -3.179 1.00 0.00 O ATOM 1069 CB SER A 73 -5.279 -4.831 -3.641 1.00 0.00 C ATOM 1070 OG SER A 73 -4.832 -6.033 -3.041 1.00 0.00 O ATOM 0 H SER A 73 -4.681 -2.208 -4.395 1.00 0.00 H new ATOM 0 HA SER A 73 -5.358 -3.595 -1.880 1.00 0.00 H new ATOM 0 HB2 SER A 73 -6.366 -4.851 -3.726 1.00 0.00 H new ATOM 0 HB3 SER A 73 -4.881 -4.762 -4.654 1.00 0.00 H new ATOM 0 HG SER A 73 -5.207 -6.107 -2.139 1.00 0.00 H new ATOM 1076 N PHE A 74 -2.970 -4.509 -1.660 1.00 0.00 N ATOM 1077 CA PHE A 74 -1.581 -4.873 -1.471 1.00 0.00 C ATOM 1078 C PHE A 74 -1.485 -6.206 -0.705 1.00 0.00 C ATOM 1079 O PHE A 74 -2.241 -6.459 0.234 1.00 0.00 O ATOM 1080 CB PHE A 74 -0.781 -3.754 -0.789 1.00 0.00 C ATOM 1081 CG PHE A 74 -1.365 -3.203 0.476 1.00 0.00 C ATOM 1082 CD1 PHE A 74 -1.648 -4.036 1.539 1.00 0.00 C ATOM 1083 CD2 PHE A 74 -1.598 -1.840 0.615 1.00 0.00 C ATOM 1084 CE1 PHE A 74 -2.159 -3.536 2.707 1.00 0.00 C ATOM 1085 CE2 PHE A 74 -2.101 -1.339 1.794 1.00 0.00 C ATOM 1086 CZ PHE A 74 -2.383 -2.185 2.836 1.00 0.00 C ATOM 0 H PHE A 74 -3.611 -4.978 -1.020 1.00 0.00 H new ATOM 0 HA PHE A 74 -1.127 -5.012 -2.452 1.00 0.00 H new ATOM 0 HB2 PHE A 74 0.218 -4.131 -0.570 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -0.664 -2.935 -1.498 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -1.464 -5.096 1.449 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -1.383 -1.171 -0.205 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -2.386 -4.202 3.526 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -2.274 -0.278 1.899 1.00 0.00 H new ATOM 0 HZ PHE A 74 -2.781 -1.790 3.759 1.00 0.00 H new ATOM 1096 N GLU A 75 -0.615 -7.088 -1.173 1.00 0.00 N ATOM 1097 CA GLU A 75 -0.312 -8.328 -0.477 1.00 0.00 C ATOM 1098 C GLU A 75 0.762 -8.063 0.537 1.00 0.00 C ATOM 1099 O GLU A 75 1.889 -7.807 0.157 1.00 0.00 O ATOM 1100 CB GLU A 75 0.178 -9.391 -1.445 1.00 0.00 C ATOM 1101 CG GLU A 75 0.623 -10.687 -0.793 1.00 0.00 C ATOM 1102 CD GLU A 75 0.974 -11.743 -1.818 1.00 0.00 C ATOM 1103 OE1 GLU A 75 1.942 -11.542 -2.582 1.00 0.00 O ATOM 1104 OE2 GLU A 75 0.286 -12.781 -1.868 1.00 0.00 O ATOM 0 H GLU A 75 -0.100 -6.964 -2.045 1.00 0.00 H new ATOM 0 HA GLU A 75 -1.221 -8.689 0.005 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -0.620 -9.612 -2.154 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.011 -8.984 -2.019 1.00 0.00 H new ATOM 0 HG2 GLU A 75 1.488 -10.496 -0.158 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -0.171 -11.059 -0.146 1.00 0.00 H new ATOM 1111 N SER A 76 0.436 -8.102 1.802 1.00 0.00 N ATOM 1112 CA SER A 76 1.411 -7.769 2.812 1.00 0.00 C ATOM 1113 C SER A 76 2.026 -9.027 3.417 1.00 0.00 C ATOM 1114 O SER A 76 1.317 -9.941 3.849 1.00 0.00 O ATOM 1115 CB SER A 76 0.761 -6.895 3.870 1.00 0.00 C ATOM 1116 OG SER A 76 -0.325 -7.561 4.498 1.00 0.00 O ATOM 0 H SER A 76 -0.485 -8.358 2.157 1.00 0.00 H new ATOM 0 HA SER A 76 2.227 -7.210 2.354 1.00 0.00 H new ATOM 0 HB2 SER A 76 1.502 -6.617 4.620 1.00 0.00 H new ATOM 0 HB3 SER A 76 0.408 -5.971 3.413 1.00 0.00 H new ATOM 0 HG SER A 76 -0.151 -7.636 5.459 1.00 0.00 H new ATOM 1122 N GLY A 77 3.352 -9.071 3.419 1.00 0.00 N ATOM 1123 CA GLY A 77 4.063 -10.215 3.943 1.00 0.00 C ATOM 1124 C GLY A 77 4.320 -10.101 5.429 1.00 0.00 C ATOM 1125 O GLY A 77 4.052 -9.066 6.031 1.00 0.00 O ATOM 0 H GLY A 77 3.950 -8.326 3.063 1.00 0.00 H new ATOM 0 HA2 GLY A 77 3.488 -11.119 3.745 1.00 0.00 H new ATOM 0 HA3 GLY A 77 5.013 -10.320 3.419 1.00 0.00 H new ATOM 1129 N ARG A 78 4.876 -11.156 6.004 1.00 0.00 N ATOM 1130 CA ARG A 78 5.065 -11.256 7.455 1.00 0.00 C ATOM 1131 C ARG A 78 3.739 -11.040 8.186 1.00 0.00 C ATOM 1132 O ARG A 78 2.669 -11.294 7.628 1.00 0.00 O ATOM 1133 CB ARG A 78 6.125 -10.262 7.954 1.00 0.00 C ATOM 1134 CG ARG A 78 7.506 -10.441 7.333 1.00 0.00 C ATOM 1135 CD ARG A 78 8.045 -11.858 7.498 1.00 0.00 C ATOM 1136 NE ARG A 78 7.456 -12.790 6.534 1.00 0.00 N ATOM 1137 CZ ARG A 78 8.157 -13.593 5.736 1.00 0.00 C ATOM 1138 NH1 ARG A 78 9.477 -13.677 5.849 1.00 0.00 N ATOM 1139 NH2 ARG A 78 7.522 -14.331 4.841 1.00 0.00 N ATOM 0 H ARG A 78 5.210 -11.968 5.486 1.00 0.00 H new ATOM 0 HA ARG A 78 5.424 -12.262 7.674 1.00 0.00 H new ATOM 0 HB2 ARG A 78 5.778 -9.249 7.751 1.00 0.00 H new ATOM 0 HB3 ARG A 78 6.213 -10.358 9.036 1.00 0.00 H new ATOM 0 HG2 ARG A 78 7.457 -10.196 6.272 1.00 0.00 H new ATOM 0 HG3 ARG A 78 8.200 -9.737 7.791 1.00 0.00 H new ATOM 0 HD2 ARG A 78 9.128 -11.849 7.377 1.00 0.00 H new ATOM 0 HD3 ARG A 78 7.840 -12.207 8.510 1.00 0.00 H new ATOM 0 HE ARG A 78 6.439 -12.827 6.469 1.00 0.00 H new ATOM 0 HH11 ARG A 78 9.965 -13.123 6.553 1.00 0.00 H new ATOM 0 HH12 ARG A 78 10.003 -14.296 5.232 1.00 0.00 H new ATOM 0 HH21 ARG A 78 6.506 -14.281 4.767 1.00 0.00 H new ATOM 0 HH22 ARG A 78 8.048 -14.950 4.224 1.00 0.00 H new ATOM 1153 N ARG A 79 3.808 -10.590 9.430 1.00 0.00 N ATOM 1154 CA ARG A 79 2.617 -10.341 10.219 1.00 0.00 C ATOM 1155 C ARG A 79 2.130 -8.923 9.954 1.00 0.00 C ATOM 1156 O ARG A 79 2.916 -8.055 9.562 1.00 0.00 O ATOM 1157 CB ARG A 79 2.896 -10.498 11.721 1.00 0.00 C ATOM 1158 CG ARG A 79 3.748 -11.704 12.113 1.00 0.00 C ATOM 1159 CD ARG A 79 5.213 -11.459 11.796 1.00 0.00 C ATOM 1160 NE ARG A 79 6.130 -12.229 12.623 1.00 0.00 N ATOM 1161 CZ ARG A 79 7.382 -11.842 12.861 1.00 0.00 C ATOM 1162 NH1 ARG A 79 7.827 -10.697 12.352 1.00 0.00 N ATOM 1163 NH2 ARG A 79 8.186 -12.594 13.601 1.00 0.00 N ATOM 0 H ARG A 79 4.683 -10.390 9.915 1.00 0.00 H new ATOM 0 HA ARG A 79 1.860 -11.070 9.931 1.00 0.00 H new ATOM 0 HB2 ARG A 79 3.392 -9.595 12.076 1.00 0.00 H new ATOM 0 HB3 ARG A 79 1.942 -10.565 12.244 1.00 0.00 H new ATOM 0 HG2 ARG A 79 3.631 -11.906 13.178 1.00 0.00 H new ATOM 0 HG3 ARG A 79 3.400 -12.589 11.580 1.00 0.00 H new ATOM 0 HD2 ARG A 79 5.394 -11.700 10.748 1.00 0.00 H new ATOM 0 HD3 ARG A 79 5.430 -10.398 11.921 1.00 0.00 H new ATOM 0 HE ARG A 79 5.800 -13.101 13.037 1.00 0.00 H new ATOM 0 HH11 ARG A 79 7.210 -10.119 11.782 1.00 0.00 H new ATOM 0 HH12 ARG A 79 8.785 -10.397 12.532 1.00 0.00 H new ATOM 0 HH21 ARG A 79 7.846 -13.473 13.991 1.00 0.00 H new ATOM 0 HH22 ARG A 79 9.144 -12.293 13.780 1.00 0.00 H new ATOM 1177 N CYS A 80 0.846 -8.685 10.159 1.00 0.00 N ATOM 1178 CA CYS A 80 0.283 -7.364 9.998 1.00 0.00 C ATOM 1179 C CYS A 80 -0.851 -7.167 10.988 1.00 0.00 C ATOM 1180 O CYS A 80 -1.458 -8.149 11.419 1.00 0.00 O ATOM 1181 CB CYS A 80 -0.222 -7.181 8.567 1.00 0.00 C ATOM 1182 SG CYS A 80 1.077 -7.190 7.313 1.00 0.00 S ATOM 0 H CYS A 80 0.173 -9.398 10.439 1.00 0.00 H new ATOM 0 HA CYS A 80 1.054 -6.619 10.192 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -0.934 -7.975 8.341 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -0.765 -6.238 8.504 1.00 0.00 H new ATOM 0 HG CYS A 80 2.216 -7.480 7.870 1.00 0.00 H new ATOM 1188 N GLN A 81 -1.122 -5.920 11.361 1.00 0.00 N ATOM 1189 CA GLN A 81 -2.230 -5.610 12.265 1.00 0.00 C ATOM 1190 C GLN A 81 -3.477 -6.348 11.833 1.00 0.00 C ATOM 1191 O GLN A 81 -4.069 -7.107 12.593 1.00 0.00 O ATOM 1192 CB GLN A 81 -2.529 -4.124 12.243 1.00 0.00 C ATOM 1193 CG GLN A 81 -3.579 -3.709 13.243 1.00 0.00 C ATOM 1194 CD GLN A 81 -3.073 -3.726 14.669 1.00 0.00 C ATOM 1195 OE1 GLN A 81 -2.525 -2.740 15.161 1.00 0.00 O ATOM 1196 NE2 GLN A 81 -3.273 -4.842 15.352 1.00 0.00 N ATOM 0 H GLN A 81 -0.591 -5.106 11.052 1.00 0.00 H new ATOM 0 HA GLN A 81 -1.940 -5.917 13.270 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -1.610 -3.573 12.443 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -2.859 -3.842 11.243 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -3.930 -2.706 12.999 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -4.437 -4.376 13.159 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -3.731 -5.637 14.907 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -2.969 -4.907 16.323 1.00 0.00 H new ATOM 1205 N THR A 82 -3.847 -6.127 10.591 1.00 0.00 N ATOM 1206 CA THR A 82 -5.031 -6.722 10.036 1.00 0.00 C ATOM 1207 C THR A 82 -4.737 -7.264 8.629 1.00 0.00 C ATOM 1208 O THR A 82 -5.638 -7.457 7.813 1.00 0.00 O ATOM 1209 CB THR A 82 -6.204 -5.706 10.044 1.00 0.00 C ATOM 1210 OG1 THR A 82 -7.317 -6.181 9.273 1.00 0.00 O ATOM 1211 CG2 THR A 82 -5.747 -4.354 9.529 1.00 0.00 C ATOM 0 H THR A 82 -3.333 -5.530 9.943 1.00 0.00 H new ATOM 0 HA THR A 82 -5.337 -7.566 10.654 1.00 0.00 H new ATOM 0 HB THR A 82 -6.534 -5.595 11.077 1.00 0.00 H new ATOM 0 HG1 THR A 82 -7.020 -6.902 8.680 1.00 0.00 H new ATOM 0 HG21 THR A 82 -6.585 -3.657 9.543 1.00 0.00 H new ATOM 0 HG22 THR A 82 -4.948 -3.974 10.165 1.00 0.00 H new ATOM 0 HG23 THR A 82 -5.379 -4.459 8.508 1.00 0.00 H new ATOM 1219 N GLY A 83 -3.457 -7.526 8.355 1.00 0.00 N ATOM 1220 CA GLY A 83 -3.051 -7.927 7.017 1.00 0.00 C ATOM 1221 C GLY A 83 -2.822 -9.416 6.915 1.00 0.00 C ATOM 1222 O GLY A 83 -1.735 -9.910 7.211 1.00 0.00 O ATOM 0 H GLY A 83 -2.698 -7.468 9.034 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -3.817 -7.629 6.302 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -2.137 -7.400 6.743 1.00 0.00 H new ATOM 1226 N GLN A 84 -3.854 -10.123 6.492 1.00 0.00 N ATOM 1227 CA GLN A 84 -3.815 -11.581 6.389 1.00 0.00 C ATOM 1228 C GLN A 84 -3.034 -12.044 5.160 1.00 0.00 C ATOM 1229 O GLN A 84 -2.512 -13.159 5.126 1.00 0.00 O ATOM 1230 CB GLN A 84 -5.241 -12.133 6.333 1.00 0.00 C ATOM 1231 CG GLN A 84 -6.073 -11.799 7.560 1.00 0.00 C ATOM 1232 CD GLN A 84 -5.510 -12.396 8.837 1.00 0.00 C ATOM 1233 OE1 GLN A 84 -5.644 -11.818 9.913 1.00 0.00 O ATOM 1234 NE2 GLN A 84 -4.893 -13.564 8.733 1.00 0.00 N ATOM 0 H GLN A 84 -4.743 -9.710 6.210 1.00 0.00 H new ATOM 0 HA GLN A 84 -3.302 -11.963 7.272 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -5.740 -11.738 5.448 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -5.198 -13.216 6.218 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -6.134 -10.716 7.667 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -7.090 -12.162 7.413 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -4.801 -14.013 7.822 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -4.510 -14.014 9.564 1.00 0.00 H new ATOM 1243 N GLY A 85 -2.950 -11.182 4.162 1.00 0.00 N ATOM 1244 CA GLY A 85 -2.294 -11.534 2.914 1.00 0.00 C ATOM 1245 C GLY A 85 -2.620 -10.525 1.841 1.00 0.00 C ATOM 1246 O GLY A 85 -2.114 -9.403 1.876 1.00 0.00 O ATOM 0 H GLY A 85 -3.327 -10.235 4.191 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -1.215 -11.578 3.064 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -2.613 -12.527 2.596 1.00 0.00 H new ATOM 1250 N ILE A 86 -3.467 -10.903 0.892 1.00 0.00 N ATOM 1251 CA ILE A 86 -4.029 -9.928 -0.024 1.00 0.00 C ATOM 1252 C ILE A 86 -5.057 -9.099 0.730 1.00 0.00 C ATOM 1253 O ILE A 86 -6.143 -9.583 1.060 1.00 0.00 O ATOM 1254 CB ILE A 86 -4.718 -10.563 -1.257 1.00 0.00 C ATOM 1255 CG1 ILE A 86 -3.707 -11.243 -2.196 1.00 0.00 C ATOM 1256 CG2 ILE A 86 -5.513 -9.507 -2.005 1.00 0.00 C ATOM 1257 CD1 ILE A 86 -2.607 -10.333 -2.706 1.00 0.00 C ATOM 0 H ILE A 86 -3.774 -11.864 0.740 1.00 0.00 H new ATOM 0 HA ILE A 86 -3.202 -9.323 -0.397 1.00 0.00 H new ATOM 0 HB ILE A 86 -5.395 -11.339 -0.898 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -3.251 -12.083 -1.671 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -4.245 -11.655 -3.050 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -5.995 -9.960 -2.871 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -6.272 -9.088 -1.345 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -4.843 -8.714 -2.336 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -1.942 -10.897 -3.360 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -3.048 -9.506 -3.263 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -2.039 -9.940 -1.862 1.00 0.00 H new ATOM 1269 N PHE A 87 -4.707 -7.871 1.039 1.00 0.00 N ATOM 1270 CA PHE A 87 -5.629 -6.991 1.719 1.00 0.00 C ATOM 1271 C PHE A 87 -5.946 -5.820 0.820 1.00 0.00 C ATOM 1272 O PHE A 87 -5.119 -4.937 0.598 1.00 0.00 O ATOM 1273 CB PHE A 87 -5.043 -6.533 3.057 1.00 0.00 C ATOM 1274 CG PHE A 87 -6.039 -5.968 4.042 1.00 0.00 C ATOM 1275 CD1 PHE A 87 -7.406 -5.959 3.789 1.00 0.00 C ATOM 1276 CD2 PHE A 87 -5.590 -5.445 5.239 1.00 0.00 C ATOM 1277 CE1 PHE A 87 -8.294 -5.435 4.719 1.00 0.00 C ATOM 1278 CE2 PHE A 87 -6.468 -4.922 6.165 1.00 0.00 C ATOM 1279 CZ PHE A 87 -7.817 -4.916 5.911 1.00 0.00 C ATOM 0 H PHE A 87 -3.796 -7.461 0.832 1.00 0.00 H new ATOM 0 HA PHE A 87 -6.555 -7.523 1.938 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -4.538 -7.380 3.522 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -4.283 -5.777 2.861 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -7.781 -6.363 2.860 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -4.532 -5.446 5.454 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -9.354 -5.432 4.513 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -6.093 -4.516 7.093 1.00 0.00 H new ATOM 0 HZ PHE A 87 -8.504 -4.508 6.638 1.00 0.00 H new ATOM 1289 N ALA A 88 -7.140 -5.851 0.274 1.00 0.00 N ATOM 1290 CA ALA A 88 -7.575 -4.830 -0.638 1.00 0.00 C ATOM 1291 C ALA A 88 -8.574 -3.906 0.045 1.00 0.00 C ATOM 1292 O ALA A 88 -9.401 -4.338 0.849 1.00 0.00 O ATOM 1293 CB ALA A 88 -8.159 -5.463 -1.880 1.00 0.00 C ATOM 0 H ALA A 88 -7.830 -6.581 0.451 1.00 0.00 H new ATOM 0 HA ALA A 88 -6.720 -4.226 -0.941 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -8.487 -4.682 -2.567 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -7.402 -6.079 -2.365 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -9.011 -6.085 -1.605 1.00 0.00 H new ATOM 1299 N PHE A 89 -8.478 -2.632 -0.257 1.00 0.00 N ATOM 1300 CA PHE A 89 -9.373 -1.649 0.302 1.00 0.00 C ATOM 1301 C PHE A 89 -10.030 -0.919 -0.827 1.00 0.00 C ATOM 1302 O PHE A 89 -9.376 -0.518 -1.784 1.00 0.00 O ATOM 1303 CB PHE A 89 -8.651 -0.642 1.184 1.00 0.00 C ATOM 1304 CG PHE A 89 -7.587 -1.256 2.009 1.00 0.00 C ATOM 1305 CD1 PHE A 89 -6.356 -1.425 1.463 1.00 0.00 C ATOM 1306 CD2 PHE A 89 -7.813 -1.665 3.304 1.00 0.00 C ATOM 1307 CE1 PHE A 89 -5.345 -1.997 2.175 1.00 0.00 C ATOM 1308 CE2 PHE A 89 -6.804 -2.241 4.041 1.00 0.00 C ATOM 1309 CZ PHE A 89 -5.562 -2.411 3.472 1.00 0.00 C ATOM 0 H PHE A 89 -7.780 -2.250 -0.895 1.00 0.00 H new ATOM 0 HA PHE A 89 -10.101 -2.168 0.925 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -8.214 0.135 0.557 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -9.375 -0.155 1.838 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -6.175 -1.101 0.449 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -8.790 -1.533 3.745 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -4.373 -2.126 1.723 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -6.985 -2.557 5.058 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.763 -2.866 4.038 1.00 0.00 H new ATOM 1319 N LYS A 90 -11.307 -0.744 -0.711 1.00 0.00 N ATOM 1320 CA LYS A 90 -12.066 -0.082 -1.719 1.00 0.00 C ATOM 1321 C LYS A 90 -11.790 1.413 -1.621 1.00 0.00 C ATOM 1322 O LYS A 90 -12.500 2.158 -0.951 1.00 0.00 O ATOM 1323 CB LYS A 90 -13.522 -0.396 -1.494 1.00 0.00 C ATOM 1324 CG LYS A 90 -14.360 -0.546 -2.733 1.00 0.00 C ATOM 1325 CD LYS A 90 -15.611 -1.337 -2.441 1.00 0.00 C ATOM 1326 CE LYS A 90 -16.273 -0.859 -1.166 1.00 0.00 C ATOM 1327 NZ LYS A 90 -17.142 0.325 -1.401 1.00 0.00 N ATOM 0 H LYS A 90 -11.854 -1.058 0.090 1.00 0.00 H new ATOM 0 HA LYS A 90 -11.792 -0.417 -2.719 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -13.590 -1.319 -0.919 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -13.954 0.395 -0.880 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -14.628 0.438 -3.118 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -13.782 -1.045 -3.510 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -16.308 -1.242 -3.274 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -15.364 -2.395 -2.351 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -16.868 -1.667 -0.741 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -15.507 -0.607 -0.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -17.589 0.610 -0.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -16.567 1.111 -1.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -17.878 0.083 -2.095 1.00 0.00 H new ATOM 1341 N CYS A 91 -10.714 1.821 -2.257 1.00 0.00 N ATOM 1342 CA CYS A 91 -10.260 3.196 -2.203 1.00 0.00 C ATOM 1343 C CYS A 91 -10.733 3.922 -3.445 1.00 0.00 C ATOM 1344 O CYS A 91 -10.381 3.526 -4.544 1.00 0.00 O ATOM 1345 CB CYS A 91 -8.733 3.266 -2.142 1.00 0.00 C ATOM 1346 SG CYS A 91 -8.100 4.960 -2.118 1.00 0.00 S ATOM 0 H CYS A 91 -10.128 1.210 -2.826 1.00 0.00 H new ATOM 0 HA CYS A 91 -10.669 3.661 -1.306 1.00 0.00 H new ATOM 0 HB2 CYS A 91 -8.387 2.743 -1.251 1.00 0.00 H new ATOM 0 HB3 CYS A 91 -8.317 2.741 -3.002 1.00 0.00 H new ATOM 0 HG CYS A 91 -8.514 5.563 -1.043 1.00 0.00 H new ATOM 1352 N ALA A 92 -11.513 4.978 -3.304 1.00 0.00 N ATOM 1353 CA ALA A 92 -12.002 5.668 -4.489 1.00 0.00 C ATOM 1354 C ALA A 92 -10.892 6.453 -5.177 1.00 0.00 C ATOM 1355 O ALA A 92 -11.046 6.909 -6.306 1.00 0.00 O ATOM 1356 CB ALA A 92 -13.199 6.532 -4.183 1.00 0.00 C ATOM 0 H ALA A 92 -11.816 5.369 -2.412 1.00 0.00 H new ATOM 0 HA ALA A 92 -12.338 4.905 -5.191 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -13.532 7.029 -5.094 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -14.006 5.911 -3.793 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -12.926 7.282 -3.440 1.00 0.00 H new ATOM 1362 N ARG A 93 -9.774 6.609 -4.487 1.00 0.00 N ATOM 1363 CA ARG A 93 -8.536 7.015 -5.131 1.00 0.00 C ATOM 1364 C ARG A 93 -7.614 5.818 -5.208 1.00 0.00 C ATOM 1365 O ARG A 93 -6.443 5.955 -4.978 1.00 0.00 O ATOM 1366 CB ARG A 93 -7.812 8.149 -4.380 1.00 0.00 C ATOM 1367 CG ARG A 93 -8.077 9.551 -4.911 1.00 0.00 C ATOM 1368 CD ARG A 93 -9.510 9.727 -5.382 1.00 0.00 C ATOM 1369 NE ARG A 93 -9.893 11.133 -5.463 1.00 0.00 N ATOM 1370 CZ ARG A 93 -10.911 11.581 -6.192 1.00 0.00 C ATOM 1371 NH1 ARG A 93 -11.542 10.765 -7.024 1.00 0.00 N ATOM 1372 NH2 ARG A 93 -11.274 12.853 -6.125 1.00 0.00 N ATOM 0 H ARG A 93 -9.698 6.461 -3.481 1.00 0.00 H new ATOM 0 HA ARG A 93 -8.792 7.392 -6.121 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -8.106 8.114 -3.331 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -6.739 7.961 -4.417 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -7.861 10.280 -4.130 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -7.397 9.759 -5.737 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -9.629 9.262 -6.361 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -10.182 9.208 -4.699 1.00 0.00 H new ATOM 0 HE ARG A 93 -9.349 11.811 -4.930 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -11.247 9.792 -7.106 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -12.323 11.110 -7.583 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -10.772 13.495 -5.512 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -12.056 13.191 -6.687 1.00 0.00 H new ATOM 1386 N ALA A 94 -8.161 4.633 -5.466 1.00 0.00 N ATOM 1387 CA ALA A 94 -7.343 3.426 -5.617 1.00 0.00 C ATOM 1388 C ALA A 94 -6.265 3.665 -6.636 1.00 0.00 C ATOM 1389 O ALA A 94 -5.088 3.503 -6.370 1.00 0.00 O ATOM 1390 CB ALA A 94 -8.178 2.269 -6.121 1.00 0.00 C ATOM 0 H ALA A 94 -9.163 4.480 -5.575 1.00 0.00 H new ATOM 0 HA ALA A 94 -6.921 3.192 -4.640 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -7.549 1.385 -6.225 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -8.980 2.063 -5.412 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -8.607 2.525 -7.090 1.00 0.00 H new ATOM 1396 N GLU A 95 -6.730 4.004 -7.822 1.00 0.00 N ATOM 1397 CA GLU A 95 -5.882 4.405 -8.942 1.00 0.00 C ATOM 1398 C GLU A 95 -4.766 5.321 -8.474 1.00 0.00 C ATOM 1399 O GLU A 95 -3.586 5.012 -8.607 1.00 0.00 O ATOM 1400 CB GLU A 95 -6.754 5.110 -9.992 1.00 0.00 C ATOM 1401 CG GLU A 95 -8.010 5.753 -9.406 1.00 0.00 C ATOM 1402 CD GLU A 95 -8.942 6.332 -10.451 1.00 0.00 C ATOM 1403 OE1 GLU A 95 -8.687 7.459 -10.924 1.00 0.00 O ATOM 1404 OE2 GLU A 95 -9.951 5.676 -10.782 1.00 0.00 O ATOM 0 H GLU A 95 -7.725 4.011 -8.045 1.00 0.00 H new ATOM 0 HA GLU A 95 -5.419 3.521 -9.381 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -6.161 5.877 -10.490 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -7.046 4.388 -10.754 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -8.551 5.008 -8.823 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -7.715 6.544 -8.717 1.00 0.00 H new ATOM 1411 N GLU A 96 -5.181 6.426 -7.900 1.00 0.00 N ATOM 1412 CA GLU A 96 -4.290 7.421 -7.332 1.00 0.00 C ATOM 1413 C GLU A 96 -3.395 6.837 -6.241 1.00 0.00 C ATOM 1414 O GLU A 96 -2.188 7.026 -6.257 1.00 0.00 O ATOM 1415 CB GLU A 96 -5.151 8.522 -6.760 1.00 0.00 C ATOM 1416 CG GLU A 96 -4.411 9.807 -6.536 1.00 0.00 C ATOM 1417 CD GLU A 96 -3.349 10.078 -7.579 1.00 0.00 C ATOM 1418 OE1 GLU A 96 -3.706 10.309 -8.751 1.00 0.00 O ATOM 1419 OE2 GLU A 96 -2.151 10.057 -7.233 1.00 0.00 O ATOM 0 H GLU A 96 -6.168 6.667 -7.811 1.00 0.00 H new ATOM 0 HA GLU A 96 -3.626 7.797 -8.111 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -5.987 8.706 -7.435 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -5.574 8.186 -5.813 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -5.123 10.632 -6.531 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -3.945 9.782 -5.551 1.00 0.00 H new ATOM 1426 N LEU A 97 -4.005 6.135 -5.302 1.00 0.00 N ATOM 1427 CA LEU A 97 -3.318 5.572 -4.170 1.00 0.00 C ATOM 1428 C LEU A 97 -2.303 4.549 -4.612 1.00 0.00 C ATOM 1429 O LEU A 97 -1.117 4.708 -4.372 1.00 0.00 O ATOM 1430 CB LEU A 97 -4.330 4.927 -3.241 1.00 0.00 C ATOM 1431 CG LEU A 97 -3.900 4.906 -1.796 1.00 0.00 C ATOM 1432 CD1 LEU A 97 -5.084 4.931 -0.900 1.00 0.00 C ATOM 1433 CD2 LEU A 97 -3.138 3.649 -1.524 1.00 0.00 C ATOM 0 H LEU A 97 -5.006 5.941 -5.312 1.00 0.00 H new ATOM 0 HA LEU A 97 -2.791 6.369 -3.646 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -5.276 5.462 -3.321 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -4.513 3.904 -3.571 1.00 0.00 H new ATOM 0 HG LEU A 97 -3.280 5.783 -1.609 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -4.754 4.915 0.139 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -5.661 5.837 -1.084 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -5.707 4.058 -1.096 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -2.826 3.631 -0.480 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -3.773 2.787 -1.727 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -2.258 3.611 -2.166 1.00 0.00 H new ATOM 1445 N PHE A 98 -2.782 3.505 -5.259 1.00 0.00 N ATOM 1446 CA PHE A 98 -1.913 2.476 -5.776 1.00 0.00 C ATOM 1447 C PHE A 98 -0.744 3.126 -6.509 1.00 0.00 C ATOM 1448 O PHE A 98 0.403 2.861 -6.190 1.00 0.00 O ATOM 1449 CB PHE A 98 -2.692 1.529 -6.701 1.00 0.00 C ATOM 1450 CG PHE A 98 -1.804 0.776 -7.630 1.00 0.00 C ATOM 1451 CD1 PHE A 98 -0.820 -0.017 -7.110 1.00 0.00 C ATOM 1452 CD2 PHE A 98 -1.903 0.914 -9.003 1.00 0.00 C ATOM 1453 CE1 PHE A 98 0.069 -0.659 -7.921 1.00 0.00 C ATOM 1454 CE2 PHE A 98 -1.024 0.249 -9.833 1.00 0.00 C ATOM 1455 CZ PHE A 98 -0.027 -0.533 -9.283 1.00 0.00 C ATOM 0 H PHE A 98 -3.774 3.350 -5.438 1.00 0.00 H new ATOM 0 HA PHE A 98 -1.522 1.880 -4.951 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -3.261 0.823 -6.096 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -3.413 2.105 -7.281 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -0.745 -0.137 -6.039 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -2.671 1.544 -9.427 1.00 0.00 H new ATOM 0 HE1 PHE A 98 0.850 -1.268 -7.490 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -1.115 0.339 -10.905 1.00 0.00 H new ATOM 0 HZ PHE A 98 0.676 -1.044 -9.925 1.00 0.00 H new ATOM 1465 N ASN A 99 -1.064 4.003 -7.456 1.00 0.00 N ATOM 1466 CA ASN A 99 -0.063 4.793 -8.187 1.00 0.00 C ATOM 1467 C ASN A 99 0.876 5.487 -7.252 1.00 0.00 C ATOM 1468 O ASN A 99 2.051 5.163 -7.258 1.00 0.00 O ATOM 1469 CB ASN A 99 -0.739 5.822 -9.097 1.00 0.00 C ATOM 1470 CG ASN A 99 0.063 6.085 -10.358 1.00 0.00 C ATOM 1471 OD1 ASN A 99 -0.063 5.363 -11.348 1.00 0.00 O ATOM 1472 ND2 ASN A 99 0.881 7.124 -10.343 1.00 0.00 N ATOM 0 H ASN A 99 -2.025 4.190 -7.743 1.00 0.00 H new ATOM 0 HA ASN A 99 0.511 4.098 -8.800 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -1.733 5.467 -9.368 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -0.872 6.756 -8.551 1.00 0.00 H new ATOM 0 HD21 ASN A 99 1.434 7.350 -11.170 1.00 0.00 H new ATOM 0 HD22 ASN A 99 0.959 7.700 -9.505 1.00 0.00 H new ATOM 1479 N MET A 100 0.360 6.404 -6.447 1.00 0.00 N ATOM 1480 CA MET A 100 1.173 7.164 -5.512 1.00 0.00 C ATOM 1481 C MET A 100 2.123 6.221 -4.795 1.00 0.00 C ATOM 1482 O MET A 100 3.333 6.406 -4.825 1.00 0.00 O ATOM 1483 CB MET A 100 0.272 7.881 -4.514 1.00 0.00 C ATOM 1484 CG MET A 100 1.008 8.848 -3.614 1.00 0.00 C ATOM 1485 SD MET A 100 0.243 9.013 -2.008 1.00 0.00 S ATOM 1486 CE MET A 100 -1.403 9.417 -2.509 1.00 0.00 C ATOM 0 H MET A 100 -0.632 6.641 -6.424 1.00 0.00 H new ATOM 0 HA MET A 100 1.756 7.912 -6.049 1.00 0.00 H new ATOM 0 HB2 MET A 100 -0.500 8.423 -5.060 1.00 0.00 H new ATOM 0 HB3 MET A 100 -0.235 7.139 -3.897 1.00 0.00 H new ATOM 0 HG2 MET A 100 2.037 8.510 -3.489 1.00 0.00 H new ATOM 0 HG3 MET A 100 1.049 9.826 -4.094 1.00 0.00 H new ATOM 0 HE1 MET A 100 -2.044 9.487 -1.630 1.00 0.00 H new ATOM 0 HE2 MET A 100 -1.400 10.373 -3.033 1.00 0.00 H new ATOM 0 HE3 MET A 100 -1.782 8.640 -3.173 1.00 0.00 H new ATOM 1496 N LEU A 101 1.550 5.199 -4.193 1.00 0.00 N ATOM 1497 CA LEU A 101 2.304 4.092 -3.618 1.00 0.00 C ATOM 1498 C LEU A 101 3.408 3.582 -4.554 1.00 0.00 C ATOM 1499 O LEU A 101 4.575 3.592 -4.168 1.00 0.00 O ATOM 1500 CB LEU A 101 1.326 2.963 -3.268 1.00 0.00 C ATOM 1501 CG LEU A 101 1.908 1.572 -3.064 1.00 0.00 C ATOM 1502 CD1 LEU A 101 2.921 1.557 -1.947 1.00 0.00 C ATOM 1503 CD2 LEU A 101 0.788 0.599 -2.772 1.00 0.00 C ATOM 0 H LEU A 101 0.540 5.108 -4.086 1.00 0.00 H new ATOM 0 HA LEU A 101 2.808 4.449 -2.720 1.00 0.00 H new ATOM 0 HB2 LEU A 101 0.798 3.245 -2.357 1.00 0.00 H new ATOM 0 HB3 LEU A 101 0.582 2.904 -4.062 1.00 0.00 H new ATOM 0 HG LEU A 101 2.423 1.274 -3.977 1.00 0.00 H new ATOM 0 HD11 LEU A 101 3.317 0.548 -1.828 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.736 2.241 -2.185 1.00 0.00 H new ATOM 0 HD13 LEU A 101 2.444 1.871 -1.019 1.00 0.00 H new ATOM 0 HD21 LEU A 101 1.202 -0.399 -2.625 1.00 0.00 H new ATOM 0 HD22 LEU A 101 0.262 0.910 -1.869 1.00 0.00 H new ATOM 0 HD23 LEU A 101 0.092 0.583 -3.611 1.00 0.00 H new ATOM 1515 N GLN A 102 3.062 3.143 -5.772 1.00 0.00 N ATOM 1516 CA GLN A 102 4.082 2.602 -6.670 1.00 0.00 C ATOM 1517 C GLN A 102 5.166 3.653 -6.955 1.00 0.00 C ATOM 1518 O GLN A 102 6.340 3.313 -7.087 1.00 0.00 O ATOM 1519 CB GLN A 102 3.549 2.057 -8.007 1.00 0.00 C ATOM 1520 CG GLN A 102 2.083 2.002 -8.195 1.00 0.00 C ATOM 1521 CD GLN A 102 1.737 2.166 -9.672 1.00 0.00 C ATOM 1522 OE1 GLN A 102 2.548 1.850 -10.543 1.00 0.00 O ATOM 1523 NE2 GLN A 102 0.538 2.621 -9.972 1.00 0.00 N ATOM 0 H GLN A 102 2.113 3.152 -6.147 1.00 0.00 H new ATOM 0 HA GLN A 102 4.495 1.748 -6.133 1.00 0.00 H new ATOM 0 HB2 GLN A 102 3.966 2.668 -8.808 1.00 0.00 H new ATOM 0 HB3 GLN A 102 3.941 1.048 -8.138 1.00 0.00 H new ATOM 0 HG2 GLN A 102 1.697 1.052 -7.826 1.00 0.00 H new ATOM 0 HG3 GLN A 102 1.604 2.789 -7.612 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -0.112 2.875 -9.228 1.00 0.00 H new ATOM 0 HE22 GLN A 102 0.260 2.720 -10.948 1.00 0.00 H new ATOM 1532 N GLU A 103 4.775 4.933 -7.041 1.00 0.00 N ATOM 1533 CA GLU A 103 5.749 6.012 -7.253 1.00 0.00 C ATOM 1534 C GLU A 103 6.614 6.193 -6.022 1.00 0.00 C ATOM 1535 O GLU A 103 7.826 6.285 -6.134 1.00 0.00 O ATOM 1536 CB GLU A 103 5.098 7.363 -7.579 1.00 0.00 C ATOM 1537 CG GLU A 103 3.609 7.343 -7.728 1.00 0.00 C ATOM 1538 CD GLU A 103 3.027 8.719 -7.989 1.00 0.00 C ATOM 1539 OE1 GLU A 103 2.930 9.513 -7.027 1.00 0.00 O ATOM 1540 OE2 GLU A 103 2.663 9.016 -9.142 1.00 0.00 O ATOM 0 H GLU A 103 3.806 5.243 -6.968 1.00 0.00 H new ATOM 0 HA GLU A 103 6.345 5.706 -8.112 1.00 0.00 H new ATOM 0 HB2 GLU A 103 5.357 8.071 -6.791 1.00 0.00 H new ATOM 0 HB3 GLU A 103 5.533 7.742 -8.504 1.00 0.00 H new ATOM 0 HG2 GLU A 103 3.339 6.678 -8.548 1.00 0.00 H new ATOM 0 HG3 GLU A 103 3.163 6.930 -6.823 1.00 0.00 H new ATOM 1547 N ILE A 104 6.002 6.264 -4.850 1.00 0.00 N ATOM 1548 CA ILE A 104 6.768 6.350 -3.618 1.00 0.00 C ATOM 1549 C ILE A 104 7.732 5.176 -3.534 1.00 0.00 C ATOM 1550 O ILE A 104 8.891 5.333 -3.145 1.00 0.00 O ATOM 1551 CB ILE A 104 5.879 6.385 -2.369 1.00 0.00 C ATOM 1552 CG1 ILE A 104 5.160 7.716 -2.268 1.00 0.00 C ATOM 1553 CG2 ILE A 104 6.723 6.176 -1.144 1.00 0.00 C ATOM 1554 CD1 ILE A 104 3.669 7.595 -2.230 1.00 0.00 C ATOM 0 H ILE A 104 4.989 6.264 -4.727 1.00 0.00 H new ATOM 0 HA ILE A 104 7.319 7.290 -3.644 1.00 0.00 H new ATOM 0 HB ILE A 104 5.138 5.590 -2.444 1.00 0.00 H new ATOM 0 HG12 ILE A 104 5.496 8.233 -1.369 1.00 0.00 H new ATOM 0 HG13 ILE A 104 5.443 8.337 -3.118 1.00 0.00 H new ATOM 0 HG21 ILE A 104 6.090 6.201 -0.257 1.00 0.00 H new ATOM 0 HG22 ILE A 104 7.222 5.209 -1.206 1.00 0.00 H new ATOM 0 HG23 ILE A 104 7.471 6.966 -1.078 1.00 0.00 H new ATOM 0 HD11 ILE A 104 3.225 8.588 -2.157 1.00 0.00 H new ATOM 0 HD12 ILE A 104 3.320 7.107 -3.140 1.00 0.00 H new ATOM 0 HD13 ILE A 104 3.374 7.002 -1.365 1.00 0.00 H new ATOM 1566 N MET A 105 7.250 4.012 -3.944 1.00 0.00 N ATOM 1567 CA MET A 105 8.079 2.826 -4.027 1.00 0.00 C ATOM 1568 C MET A 105 9.278 3.072 -4.937 1.00 0.00 C ATOM 1569 O MET A 105 10.414 2.729 -4.602 1.00 0.00 O ATOM 1570 CB MET A 105 7.276 1.640 -4.535 1.00 0.00 C ATOM 1571 CG MET A 105 6.265 1.138 -3.526 1.00 0.00 C ATOM 1572 SD MET A 105 6.017 -0.631 -3.647 1.00 0.00 S ATOM 1573 CE MET A 105 5.178 -0.916 -2.110 1.00 0.00 C ATOM 0 H MET A 105 6.281 3.867 -4.226 1.00 0.00 H new ATOM 0 HA MET A 105 8.440 2.597 -3.024 1.00 0.00 H new ATOM 0 HB2 MET A 105 6.758 1.924 -5.451 1.00 0.00 H new ATOM 0 HB3 MET A 105 7.958 0.830 -4.793 1.00 0.00 H new ATOM 0 HG2 MET A 105 6.602 1.389 -2.520 1.00 0.00 H new ATOM 0 HG3 MET A 105 5.314 1.649 -3.681 1.00 0.00 H new ATOM 0 HE1 MET A 105 5.806 -1.526 -1.461 1.00 0.00 H new ATOM 0 HE2 MET A 105 4.974 0.038 -1.625 1.00 0.00 H new ATOM 0 HE3 MET A 105 4.238 -1.435 -2.299 1.00 0.00 H new ATOM 1583 N GLN A 106 9.005 3.686 -6.083 1.00 0.00 N ATOM 1584 CA GLN A 106 10.033 4.047 -7.047 1.00 0.00 C ATOM 1585 C GLN A 106 10.997 5.080 -6.478 1.00 0.00 C ATOM 1586 O GLN A 106 12.213 4.914 -6.521 1.00 0.00 O ATOM 1587 CB GLN A 106 9.385 4.626 -8.296 1.00 0.00 C ATOM 1588 CG GLN A 106 8.641 3.609 -9.130 1.00 0.00 C ATOM 1589 CD GLN A 106 9.543 2.750 -10.003 1.00 0.00 C ATOM 1590 OE1 GLN A 106 9.124 2.273 -11.056 1.00 0.00 O ATOM 1591 NE2 GLN A 106 10.790 2.567 -9.595 1.00 0.00 N ATOM 0 H GLN A 106 8.061 3.947 -6.369 1.00 0.00 H new ATOM 0 HA GLN A 106 10.591 3.142 -7.287 1.00 0.00 H new ATOM 0 HB2 GLN A 106 8.693 5.415 -8.001 1.00 0.00 H new ATOM 0 HB3 GLN A 106 10.156 5.091 -8.911 1.00 0.00 H new ATOM 0 HG2 GLN A 106 8.068 2.960 -8.468 1.00 0.00 H new ATOM 0 HG3 GLN A 106 7.925 4.129 -9.766 1.00 0.00 H new ATOM 0 HE21 GLN A 106 11.104 2.977 -8.716 1.00 0.00 H new ATOM 0 HE22 GLN A 106 11.436 2.016 -10.160 1.00 0.00 H new ATOM 1600 N ASN A 107 10.420 6.131 -5.929 1.00 0.00 N ATOM 1601 CA ASN A 107 11.146 7.343 -5.585 1.00 0.00 C ATOM 1602 C ASN A 107 11.879 7.247 -4.248 1.00 0.00 C ATOM 1603 O ASN A 107 12.977 7.779 -4.103 1.00 0.00 O ATOM 1604 CB ASN A 107 10.176 8.524 -5.580 1.00 0.00 C ATOM 1605 CG ASN A 107 9.770 8.957 -6.977 1.00 0.00 C ATOM 1606 OD1 ASN A 107 10.437 9.781 -7.605 1.00 0.00 O ATOM 1607 ND2 ASN A 107 8.668 8.404 -7.467 1.00 0.00 N ATOM 0 H ASN A 107 9.425 6.170 -5.706 1.00 0.00 H new ATOM 0 HA ASN A 107 11.917 7.489 -6.342 1.00 0.00 H new ATOM 0 HB2 ASN A 107 9.284 8.253 -5.015 1.00 0.00 H new ATOM 0 HB3 ASN A 107 10.638 9.365 -5.063 1.00 0.00 H new ATOM 0 HD21 ASN A 107 8.342 8.657 -8.400 1.00 0.00 H new ATOM 0 HD22 ASN A 107 8.147 7.726 -6.911 1.00 0.00 H new ATOM 1614 N ASN A 108 11.302 6.558 -3.273 1.00 0.00 N ATOM 1615 CA ASN A 108 11.910 6.515 -1.951 1.00 0.00 C ATOM 1616 C ASN A 108 12.873 5.363 -1.846 1.00 0.00 C ATOM 1617 O ASN A 108 13.905 5.466 -1.184 1.00 0.00 O ATOM 1618 CB ASN A 108 10.871 6.434 -0.822 1.00 0.00 C ATOM 1619 CG ASN A 108 10.228 7.776 -0.543 1.00 0.00 C ATOM 1620 OD1 ASN A 108 10.706 8.534 0.298 1.00 0.00 O ATOM 1621 ND2 ASN A 108 9.159 8.090 -1.250 1.00 0.00 N ATOM 0 H ASN A 108 10.433 6.032 -3.368 1.00 0.00 H new ATOM 0 HA ASN A 108 12.450 7.454 -1.828 1.00 0.00 H new ATOM 0 HB2 ASN A 108 10.100 5.712 -1.091 1.00 0.00 H new ATOM 0 HB3 ASN A 108 11.350 6.066 0.085 1.00 0.00 H new ATOM 0 HD21 ASN A 108 8.699 8.989 -1.107 1.00 0.00 H new ATOM 0 HD22 ASN A 108 8.792 7.433 -1.939 1.00 0.00 H new ATOM 1628 N SER A 109 12.523 4.267 -2.512 1.00 0.00 N ATOM 1629 CA SER A 109 13.241 2.991 -2.395 1.00 0.00 C ATOM 1630 C SER A 109 12.995 2.380 -1.011 1.00 0.00 C ATOM 1631 O SER A 109 13.132 1.171 -0.808 1.00 0.00 O ATOM 1632 CB SER A 109 14.740 3.154 -2.668 1.00 0.00 C ATOM 1633 OG SER A 109 15.373 1.897 -2.855 1.00 0.00 O ATOM 0 H SER A 109 11.730 4.233 -3.153 1.00 0.00 H new ATOM 0 HA SER A 109 12.854 2.312 -3.155 1.00 0.00 H new ATOM 0 HB2 SER A 109 14.885 3.771 -3.555 1.00 0.00 H new ATOM 0 HB3 SER A 109 15.208 3.678 -1.835 1.00 0.00 H new ATOM 0 HG SER A 109 16.328 2.034 -3.029 1.00 0.00 H new ATOM 1639 N ILE A 110 12.614 3.255 -0.076 1.00 0.00 N ATOM 1640 CA ILE A 110 12.085 2.881 1.213 1.00 0.00 C ATOM 1641 C ILE A 110 13.163 2.387 2.169 1.00 0.00 C ATOM 1642 O ILE A 110 13.454 1.195 2.274 1.00 0.00 O ATOM 1643 CB ILE A 110 10.925 1.891 1.077 1.00 0.00 C ATOM 1644 CG1 ILE A 110 9.717 2.602 0.492 1.00 0.00 C ATOM 1645 CG2 ILE A 110 10.567 1.315 2.415 1.00 0.00 C ATOM 1646 CD1 ILE A 110 9.821 2.993 -0.959 1.00 0.00 C ATOM 0 H ILE A 110 12.671 4.265 -0.210 1.00 0.00 H new ATOM 0 HA ILE A 110 11.682 3.787 1.665 1.00 0.00 H new ATOM 0 HB ILE A 110 11.232 1.080 0.416 1.00 0.00 H new ATOM 0 HG12 ILE A 110 8.847 1.957 0.613 1.00 0.00 H new ATOM 0 HG13 ILE A 110 9.531 3.502 1.078 1.00 0.00 H new ATOM 0 HG21 ILE A 110 9.741 0.613 2.300 1.00 0.00 H new ATOM 0 HG22 ILE A 110 11.430 0.794 2.830 1.00 0.00 H new ATOM 0 HG23 ILE A 110 10.270 2.118 3.089 1.00 0.00 H new ATOM 0 HD11 ILE A 110 8.903 3.493 -1.268 1.00 0.00 H new ATOM 0 HD12 ILE A 110 10.665 3.669 -1.094 1.00 0.00 H new ATOM 0 HD13 ILE A 110 9.970 2.100 -1.567 1.00 0.00 H new ATOM 1658 N ASN A 111 13.767 3.347 2.848 1.00 0.00 N ATOM 1659 CA ASN A 111 14.693 3.074 3.930 1.00 0.00 C ATOM 1660 C ASN A 111 14.449 4.078 5.036 1.00 0.00 C ATOM 1661 O ASN A 111 14.870 5.233 4.951 1.00 0.00 O ATOM 1662 CB ASN A 111 16.157 3.170 3.481 1.00 0.00 C ATOM 1663 CG ASN A 111 16.470 2.342 2.248 1.00 0.00 C ATOM 1664 OD1 ASN A 111 16.310 2.802 1.113 1.00 0.00 O ATOM 1665 ND2 ASN A 111 16.941 1.124 2.456 1.00 0.00 N ATOM 0 H ASN A 111 13.628 4.340 2.663 1.00 0.00 H new ATOM 0 HA ASN A 111 14.521 2.054 4.274 1.00 0.00 H new ATOM 0 HB2 ASN A 111 16.399 4.213 3.279 1.00 0.00 H new ATOM 0 HB3 ASN A 111 16.801 2.847 4.299 1.00 0.00 H new ATOM 0 HD21 ASN A 111 17.186 0.530 1.664 1.00 0.00 H new ATOM 0 HD22 ASN A 111 17.059 0.779 3.408 1.00 0.00 H new ATOM 1672 N VAL A 112 13.740 3.639 6.054 1.00 0.00 N ATOM 1673 CA VAL A 112 13.465 4.469 7.208 1.00 0.00 C ATOM 1674 C VAL A 112 14.771 4.700 7.935 1.00 0.00 C ATOM 1675 O VAL A 112 15.166 5.832 8.213 1.00 0.00 O ATOM 1676 CB VAL A 112 12.472 3.769 8.149 1.00 0.00 C ATOM 1677 CG1 VAL A 112 11.907 4.735 9.178 1.00 0.00 C ATOM 1678 CG2 VAL A 112 11.363 3.123 7.340 1.00 0.00 C ATOM 0 H VAL A 112 13.340 2.702 6.106 1.00 0.00 H new ATOM 0 HA VAL A 112 13.026 5.414 6.889 1.00 0.00 H new ATOM 0 HB VAL A 112 13.005 2.992 8.697 1.00 0.00 H new ATOM 0 HG11 VAL A 112 11.208 4.207 9.827 1.00 0.00 H new ATOM 0 HG12 VAL A 112 12.720 5.145 9.777 1.00 0.00 H new ATOM 0 HG13 VAL A 112 11.387 5.546 8.668 1.00 0.00 H new ATOM 0 HG21 VAL A 112 10.662 2.628 8.013 1.00 0.00 H new ATOM 0 HG22 VAL A 112 10.838 3.887 6.767 1.00 0.00 H new ATOM 0 HG23 VAL A 112 11.791 2.388 6.658 1.00 0.00 H new ATOM 1688 N VAL A 113 15.431 3.585 8.189 1.00 0.00 N ATOM 1689 CA VAL A 113 16.761 3.531 8.756 1.00 0.00 C ATOM 1690 C VAL A 113 16.971 2.124 9.289 1.00 0.00 C ATOM 1691 O VAL A 113 16.000 1.380 9.459 1.00 0.00 O ATOM 1692 CB VAL A 113 16.982 4.545 9.913 1.00 0.00 C ATOM 1693 CG1 VAL A 113 16.537 3.972 11.252 1.00 0.00 C ATOM 1694 CG2 VAL A 113 18.435 4.987 9.976 1.00 0.00 C ATOM 0 H VAL A 113 15.040 2.662 7.999 1.00 0.00 H new ATOM 0 HA VAL A 113 17.472 3.794 7.973 1.00 0.00 H new ATOM 0 HB VAL A 113 16.365 5.419 9.704 1.00 0.00 H new ATOM 0 HG11 VAL A 113 16.706 4.709 12.037 1.00 0.00 H new ATOM 0 HG12 VAL A 113 15.476 3.726 11.208 1.00 0.00 H new ATOM 0 HG13 VAL A 113 17.110 3.071 11.470 1.00 0.00 H new ATOM 0 HG21 VAL A 113 18.564 5.696 10.793 1.00 0.00 H new ATOM 0 HG22 VAL A 113 19.072 4.119 10.144 1.00 0.00 H new ATOM 0 HG23 VAL A 113 18.712 5.463 9.035 1.00 0.00 H new ATOM 1704 N GLU A 114 18.217 1.765 9.530 1.00 0.00 N ATOM 1705 CA GLU A 114 18.557 0.530 10.209 1.00 0.00 C ATOM 1706 C GLU A 114 17.940 -0.704 9.574 1.00 0.00 C ATOM 1707 O GLU A 114 16.986 -1.282 10.099 1.00 0.00 O ATOM 1708 CB GLU A 114 18.134 0.612 11.665 1.00 0.00 C ATOM 1709 CG GLU A 114 18.959 1.558 12.489 1.00 0.00 C ATOM 1710 CD GLU A 114 18.416 1.716 13.890 1.00 0.00 C ATOM 1711 OE1 GLU A 114 18.487 0.744 14.673 1.00 0.00 O ATOM 1712 OE2 GLU A 114 17.918 2.815 14.221 1.00 0.00 O ATOM 0 H GLU A 114 19.026 2.325 9.259 1.00 0.00 H new ATOM 0 HA GLU A 114 19.638 0.420 10.124 1.00 0.00 H new ATOM 0 HB2 GLU A 114 17.090 0.921 11.712 1.00 0.00 H new ATOM 0 HB3 GLU A 114 18.192 -0.383 12.106 1.00 0.00 H new ATOM 0 HG2 GLU A 114 19.985 1.195 12.538 1.00 0.00 H new ATOM 0 HG3 GLU A 114 18.989 2.532 12.000 1.00 0.00 H new ATOM 1719 N GLU A 115 18.494 -1.117 8.463 1.00 0.00 N ATOM 1720 CA GLU A 115 18.208 -2.441 7.946 1.00 0.00 C ATOM 1721 C GLU A 115 19.251 -3.371 8.510 1.00 0.00 C ATOM 1722 O GLU A 115 20.439 -3.151 8.278 1.00 0.00 O ATOM 1723 CB GLU A 115 18.249 -2.526 6.415 1.00 0.00 C ATOM 1724 CG GLU A 115 17.173 -1.716 5.703 1.00 0.00 C ATOM 1725 CD GLU A 115 17.550 -0.269 5.494 1.00 0.00 C ATOM 1726 OE1 GLU A 115 18.361 0.004 4.583 1.00 0.00 O ATOM 1727 OE2 GLU A 115 17.025 0.603 6.214 1.00 0.00 O ATOM 0 H GLU A 115 19.141 -0.565 7.899 1.00 0.00 H new ATOM 0 HA GLU A 115 17.193 -2.708 8.242 1.00 0.00 H new ATOM 0 HB2 GLU A 115 19.226 -2.187 6.072 1.00 0.00 H new ATOM 0 HB3 GLU A 115 18.153 -3.571 6.120 1.00 0.00 H new ATOM 0 HG2 GLU A 115 16.966 -2.173 4.735 1.00 0.00 H new ATOM 0 HG3 GLU A 115 16.251 -1.763 6.282 1.00 0.00 H new ATOM 1734 N PRO A 116 18.849 -4.391 9.278 1.00 0.00 N ATOM 1735 CA PRO A 116 19.793 -5.349 9.826 1.00 0.00 C ATOM 1736 C PRO A 116 20.555 -5.999 8.702 1.00 0.00 C ATOM 1737 O PRO A 116 20.026 -6.886 8.031 1.00 0.00 O ATOM 1738 CB PRO A 116 18.943 -6.378 10.546 1.00 0.00 C ATOM 1739 CG PRO A 116 17.606 -5.753 10.710 1.00 0.00 C ATOM 1740 CD PRO A 116 17.464 -4.701 9.645 1.00 0.00 C ATOM 0 HA PRO A 116 20.518 -4.885 10.494 1.00 0.00 H new ATOM 0 HB2 PRO A 116 18.875 -7.301 9.971 1.00 0.00 H new ATOM 0 HB3 PRO A 116 19.376 -6.636 11.513 1.00 0.00 H new ATOM 0 HG2 PRO A 116 16.819 -6.501 10.617 1.00 0.00 H new ATOM 0 HG3 PRO A 116 17.509 -5.310 11.701 1.00 0.00 H new ATOM 0 HD2 PRO A 116 16.896 -5.070 8.791 1.00 0.00 H new ATOM 0 HD3 PRO A 116 16.942 -3.820 10.019 1.00 0.00 H new ATOM 1748 N VAL A 117 21.777 -5.510 8.508 1.00 0.00 N ATOM 1749 CA VAL A 117 22.625 -5.832 7.362 1.00 0.00 C ATOM 1750 C VAL A 117 22.259 -7.142 6.685 1.00 0.00 C ATOM 1751 O VAL A 117 22.569 -8.231 7.175 1.00 0.00 O ATOM 1752 CB VAL A 117 24.102 -5.874 7.789 1.00 0.00 C ATOM 1753 CG1 VAL A 117 24.631 -4.469 8.029 1.00 0.00 C ATOM 1754 CG2 VAL A 117 24.237 -6.717 9.046 1.00 0.00 C ATOM 0 H VAL A 117 22.217 -4.861 9.161 1.00 0.00 H new ATOM 0 HA VAL A 117 22.460 -5.039 6.632 1.00 0.00 H new ATOM 0 HB VAL A 117 24.693 -6.322 6.990 1.00 0.00 H new ATOM 0 HG11 VAL A 117 25.677 -4.521 8.330 1.00 0.00 H new ATOM 0 HG12 VAL A 117 24.546 -3.886 7.112 1.00 0.00 H new ATOM 0 HG13 VAL A 117 24.050 -3.991 8.818 1.00 0.00 H new ATOM 0 HG21 VAL A 117 25.283 -6.749 9.352 1.00 0.00 H new ATOM 0 HG22 VAL A 117 23.639 -6.278 9.844 1.00 0.00 H new ATOM 0 HG23 VAL A 117 23.887 -7.729 8.845 1.00 0.00 H new ATOM 1764 N VAL A 118 21.566 -7.018 5.565 1.00 0.00 N ATOM 1765 CA VAL A 118 21.153 -8.177 4.800 1.00 0.00 C ATOM 1766 C VAL A 118 22.372 -9.012 4.437 1.00 0.00 C ATOM 1767 O VAL A 118 23.342 -8.499 3.881 1.00 0.00 O ATOM 1768 CB VAL A 118 20.361 -7.781 3.537 1.00 0.00 C ATOM 1769 CG1 VAL A 118 21.171 -6.878 2.622 1.00 0.00 C ATOM 1770 CG2 VAL A 118 19.904 -9.030 2.816 1.00 0.00 C ATOM 0 H VAL A 118 21.279 -6.124 5.167 1.00 0.00 H new ATOM 0 HA VAL A 118 20.482 -8.772 5.420 1.00 0.00 H new ATOM 0 HB VAL A 118 19.486 -7.207 3.843 1.00 0.00 H new ATOM 0 HG11 VAL A 118 20.577 -6.622 1.744 1.00 0.00 H new ATOM 0 HG12 VAL A 118 21.441 -5.967 3.156 1.00 0.00 H new ATOM 0 HG13 VAL A 118 22.077 -7.396 2.308 1.00 0.00 H new ATOM 0 HG21 VAL A 118 19.344 -8.751 1.923 1.00 0.00 H new ATOM 0 HG22 VAL A 118 20.773 -9.623 2.529 1.00 0.00 H new ATOM 0 HG23 VAL A 118 19.265 -9.618 3.475 1.00 0.00 H new ATOM 1780 N GLU A 119 22.326 -10.285 4.809 1.00 0.00 N ATOM 1781 CA GLU A 119 23.456 -11.183 4.642 1.00 0.00 C ATOM 1782 C GLU A 119 24.622 -10.710 5.507 1.00 0.00 C ATOM 1783 O GLU A 119 25.464 -9.923 5.070 1.00 0.00 O ATOM 1784 CB GLU A 119 23.862 -11.286 3.165 1.00 0.00 C ATOM 1785 CG GLU A 119 24.998 -12.259 2.908 1.00 0.00 C ATOM 1786 CD GLU A 119 24.746 -13.618 3.514 1.00 0.00 C ATOM 1787 OE1 GLU A 119 23.834 -14.327 3.041 1.00 0.00 O ATOM 1788 OE2 GLU A 119 25.454 -13.980 4.477 1.00 0.00 O ATOM 0 H GLU A 119 21.507 -10.720 5.233 1.00 0.00 H new ATOM 0 HA GLU A 119 23.165 -12.182 4.968 1.00 0.00 H new ATOM 0 HB2 GLU A 119 22.995 -11.592 2.580 1.00 0.00 H new ATOM 0 HB3 GLU A 119 24.154 -10.298 2.809 1.00 0.00 H new ATOM 0 HG2 GLU A 119 25.144 -12.366 1.833 1.00 0.00 H new ATOM 0 HG3 GLU A 119 25.922 -11.849 3.316 1.00 0.00 H new ATOM 1795 N ARG A 120 24.638 -11.171 6.752 1.00 0.00 N ATOM 1796 CA ARG A 120 25.693 -10.818 7.695 1.00 0.00 C ATOM 1797 C ARG A 120 27.049 -11.301 7.197 1.00 0.00 C ATOM 1798 O ARG A 120 27.407 -12.468 7.365 1.00 0.00 O ATOM 1799 CB ARG A 120 25.412 -11.408 9.082 1.00 0.00 C ATOM 1800 CG ARG A 120 24.471 -10.573 9.941 1.00 0.00 C ATOM 1801 CD ARG A 120 23.073 -10.492 9.351 1.00 0.00 C ATOM 1802 NE ARG A 120 22.128 -9.857 10.265 1.00 0.00 N ATOM 1803 CZ ARG A 120 20.817 -10.083 10.254 1.00 0.00 C ATOM 1804 NH1 ARG A 120 20.293 -10.931 9.376 1.00 0.00 N ATOM 1805 NH2 ARG A 120 20.032 -9.466 11.125 1.00 0.00 N ATOM 0 H ARG A 120 23.927 -11.795 7.134 1.00 0.00 H new ATOM 0 HA ARG A 120 25.712 -9.731 7.774 1.00 0.00 H new ATOM 0 HB2 ARG A 120 24.986 -12.404 8.961 1.00 0.00 H new ATOM 0 HB3 ARG A 120 26.357 -11.528 9.611 1.00 0.00 H new ATOM 0 HG2 ARG A 120 24.417 -11.003 10.941 1.00 0.00 H new ATOM 0 HG3 ARG A 120 24.877 -9.567 10.049 1.00 0.00 H new ATOM 0 HD2 ARG A 120 23.106 -9.931 8.417 1.00 0.00 H new ATOM 0 HD3 ARG A 120 22.724 -11.496 9.108 1.00 0.00 H new ATOM 0 HE ARG A 120 22.495 -9.200 10.954 1.00 0.00 H new ATOM 0 HH11 ARG A 120 20.896 -11.411 8.708 1.00 0.00 H new ATOM 0 HH12 ARG A 120 19.288 -11.102 9.370 1.00 0.00 H new ATOM 0 HH21 ARG A 120 20.433 -8.818 11.803 1.00 0.00 H new ATOM 0 HH22 ARG A 120 19.027 -9.639 11.117 1.00 0.00 H new ATOM 1819 N ASN A 121 27.800 -10.399 6.587 1.00 0.00 N ATOM 1820 CA ASN A 121 29.123 -10.716 6.069 1.00 0.00 C ATOM 1821 C ASN A 121 30.161 -10.616 7.179 1.00 0.00 C ATOM 1822 O ASN A 121 31.228 -10.033 6.994 1.00 0.00 O ATOM 1823 CB ASN A 121 29.502 -9.761 4.930 1.00 0.00 C ATOM 1824 CG ASN A 121 28.578 -9.837 3.723 1.00 0.00 C ATOM 1825 OD1 ASN A 121 28.327 -8.828 3.066 1.00 0.00 O ATOM 1826 ND2 ASN A 121 28.090 -11.026 3.400 1.00 0.00 N ATOM 0 H ASN A 121 27.513 -9.432 6.437 1.00 0.00 H new ATOM 0 HA ASN A 121 29.101 -11.736 5.684 1.00 0.00 H new ATOM 0 HB2 ASN A 121 29.501 -8.740 5.311 1.00 0.00 H new ATOM 0 HB3 ASN A 121 30.520 -9.981 4.609 1.00 0.00 H new ATOM 0 HD21 ASN A 121 27.486 -11.125 2.584 1.00 0.00 H new ATOM 0 HD22 ASN A 121 28.319 -11.842 3.967 1.00 0.00 H new ATOM 1833 N ASN A 122 29.838 -11.171 8.337 1.00 0.00 N ATOM 1834 CA ASN A 122 30.729 -11.128 9.483 1.00 0.00 C ATOM 1835 C ASN A 122 30.471 -12.324 10.387 1.00 0.00 C ATOM 1836 O ASN A 122 31.452 -12.967 10.821 1.00 0.00 O ATOM 1837 CB ASN A 122 30.572 -9.811 10.265 1.00 0.00 C ATOM 1838 CG ASN A 122 29.233 -9.676 10.974 1.00 0.00 C ATOM 1839 OD1 ASN A 122 29.080 -10.097 12.119 1.00 0.00 O ATOM 1840 ND2 ASN A 122 28.266 -9.061 10.313 1.00 0.00 N ATOM 1841 OXT ASN A 122 29.289 -12.647 10.627 1.00 0.00 O ATOM 0 H ASN A 122 28.959 -11.659 8.507 1.00 0.00 H new ATOM 0 HA ASN A 122 31.756 -11.174 9.120 1.00 0.00 H new ATOM 0 HB2 ASN A 122 31.372 -9.739 11.002 1.00 0.00 H new ATOM 0 HB3 ASN A 122 30.695 -8.974 9.578 1.00 0.00 H new ATOM 0 HD21 ASN A 122 27.356 -8.922 10.752 1.00 0.00 H new ATOM 0 HD22 ASN A 122 28.430 -8.725 9.364 1.00 0.00 H new TER 1848 ASN A 122 ATOM 1849 N GLY B 493 -0.255 -17.395 -5.909 1.00 0.00 N ATOM 1850 CA GLY B 493 -1.423 -16.623 -5.435 1.00 0.00 C ATOM 1851 C GLY B 493 -1.960 -15.719 -6.518 1.00 0.00 C ATOM 1852 O GLY B 493 -1.330 -15.561 -7.565 1.00 0.00 O ATOM 0 HA2 GLY B 493 -2.206 -17.308 -5.109 1.00 0.00 H new ATOM 0 HA3 GLY B 493 -1.140 -16.026 -4.568 1.00 0.00 H new ATOM 1858 N PRO B 494 -3.116 -15.096 -6.287 1.00 0.00 N ATOM 1859 CA PRO B 494 -3.782 -14.256 -7.275 1.00 0.00 C ATOM 1860 C PRO B 494 -3.140 -12.881 -7.365 1.00 0.00 C ATOM 1861 O PRO B 494 -3.140 -12.131 -6.388 1.00 0.00 O ATOM 1862 CB PRO B 494 -5.219 -14.131 -6.735 1.00 0.00 C ATOM 1863 CG PRO B 494 -5.275 -14.952 -5.484 1.00 0.00 C ATOM 1864 CD PRO B 494 -3.859 -15.132 -5.028 1.00 0.00 C ATOM 0 HA PRO B 494 -3.726 -14.680 -8.278 1.00 0.00 H new ATOM 0 HB2 PRO B 494 -5.466 -13.090 -6.527 1.00 0.00 H new ATOM 0 HB3 PRO B 494 -5.942 -14.490 -7.468 1.00 0.00 H new ATOM 0 HG2 PRO B 494 -5.868 -14.452 -4.718 1.00 0.00 H new ATOM 0 HG3 PRO B 494 -5.747 -15.916 -5.674 1.00 0.00 H new ATOM 0 HD2 PRO B 494 -3.547 -14.338 -4.349 1.00 0.00 H new ATOM 0 HD3 PRO B 494 -3.719 -16.076 -4.501 1.00 0.00 H new ATOM 1872 N ASP B 495 -2.555 -12.556 -8.518 1.00 0.00 N ATOM 1873 CA ASP B 495 -2.014 -11.218 -8.706 1.00 0.00 C ATOM 1874 C ASP B 495 -3.163 -10.246 -8.752 1.00 0.00 C ATOM 1875 O ASP B 495 -3.262 -9.366 -7.926 1.00 0.00 O ATOM 1876 CB ASP B 495 -1.190 -11.102 -9.996 1.00 0.00 C ATOM 1877 CG ASP B 495 0.188 -11.738 -9.914 1.00 0.00 C ATOM 1878 OD1 ASP B 495 0.288 -12.924 -9.535 1.00 0.00 O ATOM 1879 OD2 ASP B 495 1.182 -11.056 -10.259 1.00 0.00 O ATOM 0 H ASP B 495 -2.447 -13.185 -9.314 1.00 0.00 H new ATOM 0 HA ASP B 495 -1.344 -10.996 -7.875 1.00 0.00 H new ATOM 0 HB2 ASP B 495 -1.745 -11.567 -10.811 1.00 0.00 H new ATOM 0 HB3 ASP B 495 -1.077 -10.048 -10.248 1.00 0.00 H new ATOM 1884 N ALA B 496 -4.113 -10.453 -9.622 1.00 0.00 N ATOM 1885 CA ALA B 496 -5.306 -9.673 -9.486 1.00 0.00 C ATOM 1886 C ALA B 496 -6.048 -10.206 -8.300 1.00 0.00 C ATOM 1887 O ALA B 496 -6.347 -11.398 -8.215 1.00 0.00 O ATOM 1888 CB ALA B 496 -6.160 -9.637 -10.732 1.00 0.00 C ATOM 0 H ALA B 496 -4.090 -11.119 -10.394 1.00 0.00 H new ATOM 0 HA ALA B 496 -5.035 -8.628 -9.334 1.00 0.00 H new ATOM 0 HB1 ALA B 496 -7.045 -9.027 -10.549 1.00 0.00 H new ATOM 0 HB2 ALA B 496 -5.587 -9.208 -11.554 1.00 0.00 H new ATOM 0 HB3 ALA B 496 -6.466 -10.650 -10.993 1.00 0.00 H new ATOM 1894 N VAL B 497 -6.220 -9.345 -7.337 1.00 0.00 N ATOM 1895 CA VAL B 497 -6.974 -9.693 -6.155 1.00 0.00 C ATOM 1896 C VAL B 497 -8.436 -9.501 -6.447 1.00 0.00 C ATOM 1897 O VAL B 497 -8.913 -8.394 -6.655 1.00 0.00 O ATOM 1898 CB VAL B 497 -6.514 -8.874 -4.903 1.00 0.00 C ATOM 1899 CG1 VAL B 497 -5.262 -8.114 -5.219 1.00 0.00 C ATOM 1900 CG2 VAL B 497 -7.574 -7.902 -4.390 1.00 0.00 C ATOM 0 H VAL B 497 -5.850 -8.395 -7.343 1.00 0.00 H new ATOM 0 HA VAL B 497 -6.790 -10.738 -5.906 1.00 0.00 H new ATOM 0 HB VAL B 497 -6.335 -9.602 -4.112 1.00 0.00 H new ATOM 0 HG11 VAL B 497 -4.949 -7.547 -4.342 1.00 0.00 H new ATOM 0 HG12 VAL B 497 -4.474 -8.812 -5.500 1.00 0.00 H new ATOM 0 HG13 VAL B 497 -5.451 -7.429 -6.045 1.00 0.00 H new ATOM 0 HG21 VAL B 497 -7.188 -7.368 -3.522 1.00 0.00 H new ATOM 0 HG22 VAL B 497 -7.822 -7.187 -5.175 1.00 0.00 H new ATOM 0 HG23 VAL B 497 -8.469 -8.456 -4.107 1.00 0.00 H new ATOM 1910 N ILE B 498 -9.167 -10.574 -6.546 1.00 0.00 N ATOM 1911 CA ILE B 498 -10.534 -10.405 -6.903 1.00 0.00 C ATOM 1912 C ILE B 498 -11.313 -10.333 -5.631 1.00 0.00 C ATOM 1913 O ILE B 498 -11.884 -11.322 -5.170 1.00 0.00 O ATOM 1914 CB ILE B 498 -11.145 -11.463 -7.845 1.00 0.00 C ATOM 1915 CG1 ILE B 498 -10.275 -11.840 -9.063 1.00 0.00 C ATOM 1916 CG2 ILE B 498 -12.485 -10.938 -8.349 1.00 0.00 C ATOM 1917 CD1 ILE B 498 -8.953 -11.157 -9.187 1.00 0.00 C ATOM 0 H ILE B 498 -8.853 -11.532 -6.391 1.00 0.00 H new ATOM 0 HA ILE B 498 -10.586 -9.492 -7.497 1.00 0.00 H new ATOM 0 HB ILE B 498 -11.239 -12.374 -7.255 1.00 0.00 H new ATOM 0 HG12 ILE B 498 -10.100 -12.915 -9.035 1.00 0.00 H new ATOM 0 HG13 ILE B 498 -10.849 -11.634 -9.966 1.00 0.00 H new ATOM 0 HG21 ILE B 498 -12.935 -11.672 -9.018 1.00 0.00 H new ATOM 0 HG22 ILE B 498 -13.149 -10.763 -7.502 1.00 0.00 H new ATOM 0 HG23 ILE B 498 -12.330 -10.003 -8.888 1.00 0.00 H new ATOM 0 HD11 ILE B 498 -8.443 -11.511 -10.083 1.00 0.00 H new ATOM 0 HD12 ILE B 498 -9.105 -10.080 -9.257 1.00 0.00 H new ATOM 0 HD13 ILE B 498 -8.344 -11.381 -8.311 1.00 0.00 H new ATOM 1929 N ILE B 499 -11.294 -9.157 -5.033 1.00 0.00 N ATOM 1930 CA ILE B 499 -11.917 -8.990 -3.761 1.00 0.00 C ATOM 1931 C ILE B 499 -13.393 -8.703 -3.990 1.00 0.00 C ATOM 1932 O ILE B 499 -13.810 -7.558 -4.175 1.00 0.00 O ATOM 1933 CB ILE B 499 -11.196 -7.897 -2.916 1.00 0.00 C ATOM 1934 CG1 ILE B 499 -9.970 -8.475 -2.189 1.00 0.00 C ATOM 1935 CG2 ILE B 499 -12.133 -7.239 -1.927 1.00 0.00 C ATOM 1936 CD1 ILE B 499 -10.065 -9.952 -1.870 1.00 0.00 C ATOM 0 H ILE B 499 -10.855 -8.319 -5.414 1.00 0.00 H new ATOM 0 HA ILE B 499 -11.833 -9.902 -3.171 1.00 0.00 H new ATOM 0 HB ILE B 499 -10.856 -7.131 -3.613 1.00 0.00 H new ATOM 0 HG12 ILE B 499 -9.086 -8.306 -2.804 1.00 0.00 H new ATOM 0 HG13 ILE B 499 -9.822 -7.925 -1.260 1.00 0.00 H new ATOM 0 HG21 ILE B 499 -11.590 -6.484 -1.359 1.00 0.00 H new ATOM 0 HG22 ILE B 499 -12.956 -6.767 -2.464 1.00 0.00 H new ATOM 0 HG23 ILE B 499 -12.529 -7.991 -1.245 1.00 0.00 H new ATOM 0 HD11 ILE B 499 -9.158 -10.273 -1.358 1.00 0.00 H new ATOM 0 HD12 ILE B 499 -10.927 -10.131 -1.227 1.00 0.00 H new ATOM 0 HD13 ILE B 499 -10.179 -10.517 -2.795 1.00 0.00 H new ATOM 1948 N GLY B 500 -14.151 -9.800 -4.032 1.00 0.00 N ATOM 1949 CA GLY B 500 -15.585 -9.760 -4.257 1.00 0.00 C ATOM 1950 C GLY B 500 -15.998 -8.813 -5.360 1.00 0.00 C ATOM 1951 O GLY B 500 -15.943 -9.155 -6.542 1.00 0.00 O ATOM 0 H GLY B 500 -13.780 -10.742 -3.910 1.00 0.00 H new ATOM 0 HA2 GLY B 500 -15.934 -10.763 -4.501 1.00 0.00 H new ATOM 0 HA3 GLY B 500 -16.081 -9.466 -3.332 1.00 0.00 H new ATOM 1955 N MET B 501 -16.408 -7.618 -4.948 1.00 0.00 N ATOM 1956 CA MET B 501 -16.847 -6.573 -5.832 1.00 0.00 C ATOM 1957 C MET B 501 -15.891 -6.356 -7.000 1.00 0.00 C ATOM 1958 O MET B 501 -16.331 -6.177 -8.137 1.00 0.00 O ATOM 1959 CB MET B 501 -16.987 -5.279 -5.037 1.00 0.00 C ATOM 1960 CG MET B 501 -17.792 -4.240 -5.758 1.00 0.00 C ATOM 1961 SD MET B 501 -17.502 -2.567 -5.151 1.00 0.00 S ATOM 1962 CE MET B 501 -15.802 -2.317 -5.664 1.00 0.00 C ATOM 0 H MET B 501 -16.441 -7.354 -3.963 1.00 0.00 H new ATOM 0 HA MET B 501 -17.806 -6.874 -6.254 1.00 0.00 H new ATOM 0 HB2 MET B 501 -17.457 -5.496 -4.078 1.00 0.00 H new ATOM 0 HB3 MET B 501 -15.995 -4.880 -4.823 1.00 0.00 H new ATOM 0 HG2 MET B 501 -17.555 -4.280 -6.821 1.00 0.00 H new ATOM 0 HG3 MET B 501 -18.851 -4.477 -5.658 1.00 0.00 H new ATOM 0 HE1 MET B 501 -15.490 -1.304 -5.408 1.00 0.00 H new ATOM 0 HE2 MET B 501 -15.159 -3.035 -5.155 1.00 0.00 H new ATOM 0 HE3 MET B 501 -15.722 -2.460 -6.742 1.00 0.00 H new ATOM 1972 N THR B 502 -14.588 -6.379 -6.741 1.00 0.00 N ATOM 1973 CA THR B 502 -13.647 -5.995 -7.780 1.00 0.00 C ATOM 1974 C THR B 502 -12.370 -6.825 -7.822 1.00 0.00 C ATOM 1975 O THR B 502 -11.815 -7.208 -6.796 1.00 0.00 O ATOM 1976 CB THR B 502 -13.310 -4.501 -7.638 1.00 0.00 C ATOM 1977 OG1 THR B 502 -14.290 -3.699 -8.303 1.00 0.00 O ATOM 1978 CG2 THR B 502 -11.955 -4.185 -8.192 1.00 0.00 C ATOM 0 H THR B 502 -14.172 -6.650 -5.850 1.00 0.00 H new ATOM 0 HA THR B 502 -14.146 -6.193 -8.729 1.00 0.00 H new ATOM 0 HB THR B 502 -13.311 -4.272 -6.572 1.00 0.00 H new ATOM 0 HG1 THR B 502 -15.108 -4.223 -8.432 1.00 0.00 H new ATOM 0 HG21 THR B 502 -11.753 -3.120 -8.074 1.00 0.00 H new ATOM 0 HG22 THR B 502 -11.200 -4.760 -7.656 1.00 0.00 H new ATOM 0 HG23 THR B 502 -11.925 -4.445 -9.250 1.00 0.00 H new ATOM 1986 N LYS B 503 -11.926 -7.104 -9.050 1.00 0.00 N ATOM 1987 CA LYS B 503 -10.649 -7.729 -9.289 1.00 0.00 C ATOM 1988 C LYS B 503 -9.536 -6.707 -9.427 1.00 0.00 C ATOM 1989 O LYS B 503 -9.510 -5.939 -10.378 1.00 0.00 O ATOM 1990 CB LYS B 503 -10.722 -8.601 -10.536 1.00 0.00 C ATOM 1991 CG LYS B 503 -9.418 -8.670 -11.312 1.00 0.00 C ATOM 1992 CD LYS B 503 -9.331 -9.901 -12.191 1.00 0.00 C ATOM 1993 CE LYS B 503 -10.673 -10.263 -12.803 1.00 0.00 C ATOM 1994 NZ LYS B 503 -11.138 -9.247 -13.783 1.00 0.00 N ATOM 0 H LYS B 503 -12.452 -6.898 -9.899 1.00 0.00 H new ATOM 0 HA LYS B 503 -10.416 -8.351 -8.424 1.00 0.00 H new ATOM 0 HB2 LYS B 503 -11.015 -9.610 -10.246 1.00 0.00 H new ATOM 0 HB3 LYS B 503 -11.504 -8.217 -11.191 1.00 0.00 H new ATOM 0 HG2 LYS B 503 -9.319 -7.778 -11.931 1.00 0.00 H new ATOM 0 HG3 LYS B 503 -8.582 -8.667 -10.613 1.00 0.00 H new ATOM 0 HD2 LYS B 503 -8.606 -9.728 -12.986 1.00 0.00 H new ATOM 0 HD3 LYS B 503 -8.963 -10.741 -11.602 1.00 0.00 H new ATOM 0 HE2 LYS B 503 -10.595 -11.232 -13.296 1.00 0.00 H new ATOM 0 HE3 LYS B 503 -11.415 -10.367 -12.011 1.00 0.00 H new ATOM 0 HZ1 LYS B 503 -12.100 -8.941 -13.535 1.00 0.00 H new ATOM 0 HZ2 LYS B 503 -10.498 -8.428 -13.764 1.00 0.00 H new ATOM 0 HZ3 LYS B 503 -11.141 -9.661 -14.737 1.00 0.00 H new ATOM 2008 N ILE B 504 -8.598 -6.738 -8.497 1.00 0.00 N ATOM 2009 CA ILE B 504 -7.532 -5.776 -8.451 1.00 0.00 C ATOM 2010 C ILE B 504 -6.279 -6.288 -9.099 1.00 0.00 C ATOM 2011 O ILE B 504 -5.562 -7.095 -8.526 1.00 0.00 O ATOM 2012 CB ILE B 504 -7.172 -5.405 -7.026 1.00 0.00 C ATOM 2013 CG1 ILE B 504 -8.404 -4.955 -6.290 1.00 0.00 C ATOM 2014 CG2 ILE B 504 -6.157 -4.300 -7.042 1.00 0.00 C ATOM 2015 CD1 ILE B 504 -8.089 -4.183 -5.042 1.00 0.00 C ATOM 0 H ILE B 504 -8.562 -7.436 -7.754 1.00 0.00 H new ATOM 0 HA ILE B 504 -7.907 -4.907 -8.991 1.00 0.00 H new ATOM 0 HB ILE B 504 -6.754 -6.275 -6.519 1.00 0.00 H new ATOM 0 HG12 ILE B 504 -9.010 -4.336 -6.951 1.00 0.00 H new ATOM 0 HG13 ILE B 504 -9.005 -5.827 -6.030 1.00 0.00 H new ATOM 0 HG21 ILE B 504 -5.896 -4.031 -6.019 1.00 0.00 H new ATOM 0 HG22 ILE B 504 -5.263 -4.635 -7.568 1.00 0.00 H new ATOM 0 HG23 ILE B 504 -6.574 -3.431 -7.551 1.00 0.00 H new ATOM 0 HD11 ILE B 504 -9.017 -3.885 -4.554 1.00 0.00 H new ATOM 0 HD12 ILE B 504 -7.507 -4.808 -4.364 1.00 0.00 H new ATOM 0 HD13 ILE B 504 -7.513 -3.294 -5.300 1.00 0.00 H new ATOM 2027 N PRO B 505 -5.963 -5.767 -10.259 1.00 0.00 N ATOM 2028 CA PRO B 505 -4.758 -6.118 -10.956 1.00 0.00 C ATOM 2029 C PRO B 505 -3.582 -5.391 -10.321 1.00 0.00 C ATOM 2030 O PRO B 505 -3.369 -4.188 -10.520 1.00 0.00 O ATOM 2031 CB PRO B 505 -5.065 -5.658 -12.370 1.00 0.00 C ATOM 2032 CG PRO B 505 -5.942 -4.472 -12.194 1.00 0.00 C ATOM 2033 CD PRO B 505 -6.728 -4.733 -10.950 1.00 0.00 C ATOM 0 HA PRO B 505 -4.482 -7.172 -10.927 1.00 0.00 H new ATOM 0 HB2 PRO B 505 -4.154 -5.401 -12.910 1.00 0.00 H new ATOM 0 HB3 PRO B 505 -5.565 -6.440 -12.942 1.00 0.00 H new ATOM 0 HG2 PRO B 505 -5.353 -3.560 -12.101 1.00 0.00 H new ATOM 0 HG3 PRO B 505 -6.600 -4.340 -13.053 1.00 0.00 H new ATOM 0 HD2 PRO B 505 -6.823 -3.833 -10.342 1.00 0.00 H new ATOM 0 HD3 PRO B 505 -7.739 -5.071 -11.180 1.00 0.00 H new ATOM 2041 N VAL B 506 -2.891 -6.115 -9.461 1.00 0.00 N ATOM 2042 CA VAL B 506 -1.803 -5.558 -8.685 1.00 0.00 C ATOM 2043 C VAL B 506 -0.449 -5.755 -9.355 1.00 0.00 C ATOM 2044 O VAL B 506 -0.317 -6.453 -10.363 1.00 0.00 O ATOM 2045 CB VAL B 506 -1.741 -6.202 -7.289 1.00 0.00 C ATOM 2046 CG1 VAL B 506 -3.068 -6.091 -6.562 1.00 0.00 C ATOM 2047 CG2 VAL B 506 -1.330 -7.643 -7.395 1.00 0.00 C ATOM 0 H VAL B 506 -3.069 -7.103 -9.282 1.00 0.00 H new ATOM 0 HA VAL B 506 -2.006 -4.490 -8.607 1.00 0.00 H new ATOM 0 HB VAL B 506 -0.995 -5.658 -6.709 1.00 0.00 H new ATOM 0 HG11 VAL B 506 -2.985 -6.557 -5.580 1.00 0.00 H new ATOM 0 HG12 VAL B 506 -3.331 -5.040 -6.444 1.00 0.00 H new ATOM 0 HG13 VAL B 506 -3.842 -6.596 -7.139 1.00 0.00 H new ATOM 0 HG21 VAL B 506 -1.291 -8.084 -6.399 1.00 0.00 H new ATOM 0 HG22 VAL B 506 -2.055 -8.184 -8.003 1.00 0.00 H new ATOM 0 HG23 VAL B 506 -0.346 -7.707 -7.859 1.00 0.00 H new ATOM 2057 N ILE B 507 0.547 -5.126 -8.754 1.00 0.00 N ATOM 2058 CA ILE B 507 1.930 -5.194 -9.190 1.00 0.00 C ATOM 2059 C ILE B 507 2.805 -5.485 -7.976 1.00 0.00 C ATOM 2060 O ILE B 507 2.391 -5.226 -6.853 1.00 0.00 O ATOM 2061 CB ILE B 507 2.358 -3.867 -9.843 1.00 0.00 C ATOM 2062 CG1 ILE B 507 2.565 -2.817 -8.789 1.00 0.00 C ATOM 2063 CG2 ILE B 507 1.274 -3.377 -10.778 1.00 0.00 C ATOM 2064 CD1 ILE B 507 3.116 -1.517 -9.315 1.00 0.00 C ATOM 0 H ILE B 507 0.412 -4.540 -7.930 1.00 0.00 H new ATOM 0 HA ILE B 507 2.041 -5.985 -9.931 1.00 0.00 H new ATOM 0 HB ILE B 507 3.284 -4.041 -10.392 1.00 0.00 H new ATOM 0 HG12 ILE B 507 1.614 -2.622 -8.294 1.00 0.00 H new ATOM 0 HG13 ILE B 507 3.245 -3.207 -8.031 1.00 0.00 H new ATOM 0 HG21 ILE B 507 1.585 -2.438 -11.235 1.00 0.00 H new ATOM 0 HG22 ILE B 507 1.102 -4.120 -11.556 1.00 0.00 H new ATOM 0 HG23 ILE B 507 0.353 -3.219 -10.217 1.00 0.00 H new ATOM 0 HD11 ILE B 507 3.236 -0.813 -8.492 1.00 0.00 H new ATOM 0 HD12 ILE B 507 4.084 -1.695 -9.784 1.00 0.00 H new ATOM 0 HD13 ILE B 507 2.427 -1.101 -10.051 1.00 0.00 H new ATOM 2076 N GLU B 508 3.984 -6.041 -8.184 1.00 0.00 N ATOM 2077 CA GLU B 508 4.852 -6.391 -7.066 1.00 0.00 C ATOM 2078 C GLU B 508 5.840 -5.267 -6.750 1.00 0.00 C ATOM 2079 O GLU B 508 6.209 -4.480 -7.626 1.00 0.00 O ATOM 2080 CB GLU B 508 5.557 -7.714 -7.347 1.00 0.00 C ATOM 2081 CG GLU B 508 4.596 -8.889 -7.363 1.00 0.00 C ATOM 2082 CD GLU B 508 5.241 -10.175 -7.827 1.00 0.00 C ATOM 2083 OE1 GLU B 508 5.860 -10.877 -7.003 1.00 0.00 O ATOM 2084 OE2 GLU B 508 5.122 -10.495 -9.028 1.00 0.00 O ATOM 0 H GLU B 508 4.363 -6.260 -9.105 1.00 0.00 H new ATOM 0 HA GLU B 508 4.238 -6.520 -6.175 1.00 0.00 H new ATOM 0 HB2 GLU B 508 6.069 -7.653 -8.308 1.00 0.00 H new ATOM 0 HB3 GLU B 508 6.322 -7.884 -6.589 1.00 0.00 H new ATOM 0 HG2 GLU B 508 4.191 -9.033 -6.361 1.00 0.00 H new ATOM 0 HG3 GLU B 508 3.755 -8.655 -8.016 1.00 0.00 H new ATOM 2091 N ASN B 509 6.243 -5.191 -5.483 1.00 0.00 N ATOM 2092 CA ASN B 509 7.005 -4.049 -4.970 1.00 0.00 C ATOM 2093 C ASN B 509 8.504 -4.192 -5.227 1.00 0.00 C ATOM 2094 O ASN B 509 9.080 -5.266 -5.059 1.00 0.00 O ATOM 2095 CB ASN B 509 6.759 -3.867 -3.467 1.00 0.00 C ATOM 2096 CG ASN B 509 7.405 -4.931 -2.598 1.00 0.00 C ATOM 2097 OD1 ASN B 509 7.531 -6.095 -2.982 1.00 0.00 O ATOM 2098 ND2 ASN B 509 7.819 -4.534 -1.407 1.00 0.00 N ATOM 0 H ASN B 509 6.054 -5.912 -4.786 1.00 0.00 H new ATOM 0 HA ASN B 509 6.654 -3.169 -5.509 1.00 0.00 H new ATOM 0 HB2 ASN B 509 7.134 -2.889 -3.164 1.00 0.00 H new ATOM 0 HB3 ASN B 509 5.685 -3.867 -3.283 1.00 0.00 H new ATOM 0 HD21 ASN B 509 8.259 -5.200 -0.772 1.00 0.00 H new ATOM 0 HD22 ASN B 509 7.698 -3.562 -1.123 1.00 0.00 H new ATOM 2105 N PRO B 510 9.171 -3.101 -5.627 1.00 0.00 N ATOM 2106 CA PRO B 510 10.609 -3.100 -5.845 1.00 0.00 C ATOM 2107 C PRO B 510 11.396 -2.972 -4.544 1.00 0.00 C ATOM 2108 O PRO B 510 12.612 -2.832 -4.567 1.00 0.00 O ATOM 2109 CB PRO B 510 10.852 -1.866 -6.733 1.00 0.00 C ATOM 2110 CG PRO B 510 9.502 -1.288 -7.016 1.00 0.00 C ATOM 2111 CD PRO B 510 8.595 -1.788 -5.933 1.00 0.00 C ATOM 0 HA PRO B 510 10.942 -4.035 -6.295 1.00 0.00 H new ATOM 0 HB2 PRO B 510 11.488 -1.140 -6.227 1.00 0.00 H new ATOM 0 HB3 PRO B 510 11.359 -2.144 -7.657 1.00 0.00 H new ATOM 0 HG2 PRO B 510 9.539 -0.199 -7.020 1.00 0.00 H new ATOM 0 HG3 PRO B 510 9.144 -1.599 -7.997 1.00 0.00 H new ATOM 0 HD2 PRO B 510 8.597 -1.130 -5.064 1.00 0.00 H new ATOM 0 HD3 PRO B 510 7.562 -1.866 -6.271 1.00 0.00 H new ATOM 2119 N GLN B 511 10.709 -3.012 -3.408 1.00 0.00 N ATOM 2120 CA GLN B 511 11.390 -2.975 -2.121 1.00 0.00 C ATOM 2121 C GLN B 511 12.090 -4.305 -1.886 1.00 0.00 C ATOM 2122 O GLN B 511 13.161 -4.372 -1.288 1.00 0.00 O ATOM 2123 CB GLN B 511 10.404 -2.674 -0.993 1.00 0.00 C ATOM 2124 CG GLN B 511 9.943 -1.221 -0.911 1.00 0.00 C ATOM 2125 CD GLN B 511 9.969 -0.492 -2.239 1.00 0.00 C ATOM 2126 OE1 GLN B 511 9.005 -0.527 -2.989 1.00 0.00 O ATOM 2127 NE2 GLN B 511 11.070 0.181 -2.533 1.00 0.00 N ATOM 0 H GLN B 511 9.692 -3.069 -3.352 1.00 0.00 H new ATOM 0 HA GLN B 511 12.132 -2.176 -2.131 1.00 0.00 H new ATOM 0 HB2 GLN B 511 9.528 -3.311 -1.116 1.00 0.00 H new ATOM 0 HB3 GLN B 511 10.866 -2.947 -0.044 1.00 0.00 H new ATOM 0 HG2 GLN B 511 8.929 -1.194 -0.513 1.00 0.00 H new ATOM 0 HG3 GLN B 511 10.578 -0.688 -0.203 1.00 0.00 H new ATOM 0 HE21 GLN B 511 11.854 0.186 -1.881 1.00 0.00 H new ATOM 0 HE22 GLN B 511 11.134 0.695 -3.412 1.00 0.00 H new HETATM 2136 N PTR B 512 11.458 -5.364 -2.361 1.00 0.00 N HETATM 2137 CA PTR B 512 12.068 -6.682 -2.382 1.00 0.00 C HETATM 2138 C PTR B 512 12.672 -6.965 -3.749 1.00 0.00 C HETATM 2139 O PTR B 512 13.761 -7.526 -3.856 1.00 0.00 O HETATM 2140 CB PTR B 512 11.031 -7.751 -2.054 1.00 0.00 C HETATM 2141 CG PTR B 512 10.693 -7.840 -0.584 1.00 0.00 C HETATM 2142 CD1 PTR B 512 9.924 -6.866 0.036 1.00 0.00 C HETATM 2143 CD2 PTR B 512 11.145 -8.906 0.185 1.00 0.00 C HETATM 2144 CE1 PTR B 512 9.612 -6.952 1.369 1.00 0.00 C HETATM 2145 CE2 PTR B 512 10.835 -8.998 1.528 1.00 0.00 C HETATM 2146 CZ PTR B 512 10.067 -8.019 2.115 1.00 0.00 C HETATM 2147 OH PTR B 512 9.741 -8.108 3.448 1.00 0.00 O HETATM 2148 P PTR B 512 8.240 -8.600 3.831 1.00 0.00 P HETATM 2149 O1P PTR B 512 8.394 -10.065 4.150 1.00 0.00 O HETATM 2150 O2P PTR B 512 7.356 -8.250 2.548 1.00 0.00 O HETATM 2151 O3P PTR B 512 7.863 -7.872 5.098 1.00 0.00 O HETATM 0 HE2 PTR B 512 11.196 -9.840 2.118 1.00 0.00 H new HETATM 0 HE1 PTR B 512 9.005 -6.178 1.838 1.00 0.00 H new HETATM 0 HD2 PTR B 512 11.754 -9.682 -0.279 1.00 0.00 H new HETATM 0 HD1 PTR B 512 9.562 -6.018 -0.546 1.00 0.00 H new HETATM 0 HB3 PTR B 512 10.120 -7.545 -2.615 1.00 0.00 H new HETATM 0 HB2 PTR B 512 11.401 -8.719 -2.392 1.00 0.00 H new HETATM 0 HA PTR B 512 12.857 -6.705 -1.631 1.00 0.00 H new ATOM 2161 N PHE B 513 11.965 -6.562 -4.796 1.00 0.00 N ATOM 2162 CA PHE B 513 12.394 -6.847 -6.158 1.00 0.00 C ATOM 2163 C PHE B 513 13.179 -5.681 -6.750 1.00 0.00 C ATOM 2164 O PHE B 513 13.079 -5.390 -7.939 1.00 0.00 O ATOM 2165 CB PHE B 513 11.191 -7.183 -7.028 1.00 0.00 C ATOM 2166 CG PHE B 513 10.414 -8.356 -6.534 1.00 0.00 C ATOM 2167 CD1 PHE B 513 10.865 -9.624 -6.806 1.00 0.00 C ATOM 2168 CD2 PHE B 513 9.240 -8.199 -5.814 1.00 0.00 C ATOM 2169 CE1 PHE B 513 10.174 -10.724 -6.375 1.00 0.00 C ATOM 2170 CE2 PHE B 513 8.536 -9.302 -5.373 1.00 0.00 C ATOM 2171 CZ PHE B 513 9.005 -10.571 -5.655 1.00 0.00 C ATOM 0 H PHE B 513 11.093 -6.037 -4.728 1.00 0.00 H new ATOM 0 HA PHE B 513 13.059 -7.710 -6.130 1.00 0.00 H new ATOM 0 HB2 PHE B 513 10.533 -6.315 -7.077 1.00 0.00 H new ATOM 0 HB3 PHE B 513 11.531 -7.383 -8.044 1.00 0.00 H new ATOM 0 HD1 PHE B 513 11.778 -9.755 -7.368 1.00 0.00 H new ATOM 0 HD2 PHE B 513 8.873 -7.207 -5.596 1.00 0.00 H new ATOM 0 HE1 PHE B 513 10.544 -11.714 -6.598 1.00 0.00 H new ATOM 0 HE2 PHE B 513 7.623 -9.174 -4.810 1.00 0.00 H new ATOM 0 HZ PHE B 513 8.460 -11.439 -5.314 1.00 0.00 H new ATOM 2181 N GLY B 514 13.945 -5.008 -5.904 1.00 0.00 N ATOM 2182 CA GLY B 514 14.804 -3.932 -6.353 1.00 0.00 C ATOM 2183 C GLY B 514 15.768 -3.514 -5.264 1.00 0.00 C ATOM 2184 O GLY B 514 15.357 -3.244 -4.135 1.00 0.00 O ATOM 0 H GLY B 514 13.986 -5.192 -4.902 1.00 0.00 H new ATOM 0 HA2 GLY B 514 15.361 -4.251 -7.234 1.00 0.00 H new ATOM 0 HA3 GLY B 514 14.196 -3.078 -6.652 1.00 0.00 H new ATOM 2188 N ILE B 515 17.047 -3.467 -5.586 1.00 0.00 N ATOM 2189 CA ILE B 515 18.064 -3.156 -4.595 1.00 0.00 C ATOM 2190 C ILE B 515 19.045 -2.115 -5.127 1.00 0.00 C ATOM 2191 O ILE B 515 20.244 -2.433 -5.279 1.00 0.00 O ATOM 2192 CB ILE B 515 18.827 -4.429 -4.163 1.00 0.00 C ATOM 2193 CG1 ILE B 515 19.259 -5.245 -5.389 1.00 0.00 C ATOM 2194 CG2 ILE B 515 17.962 -5.275 -3.236 1.00 0.00 C ATOM 2195 CD1 ILE B 515 20.114 -6.445 -5.053 1.00 0.00 C ATOM 2196 OXT ILE B 515 18.605 -0.983 -5.413 1.00 0.00 O ATOM 0 H ILE B 515 17.408 -3.640 -6.524 1.00 0.00 H new ATOM 0 HA ILE B 515 17.557 -2.743 -3.723 1.00 0.00 H new ATOM 0 HB ILE B 515 19.724 -4.126 -3.622 1.00 0.00 H new ATOM 0 HG12 ILE B 515 18.369 -5.582 -5.921 1.00 0.00 H new ATOM 0 HG13 ILE B 515 19.811 -4.596 -6.069 1.00 0.00 H new ATOM 0 HG21 ILE B 515 18.512 -6.168 -2.940 1.00 0.00 H new ATOM 0 HG22 ILE B 515 17.705 -4.696 -2.349 1.00 0.00 H new ATOM 0 HG23 ILE B 515 17.049 -5.567 -3.756 1.00 0.00 H new ATOM 0 HD11 ILE B 515 20.379 -6.971 -5.970 1.00 0.00 H new ATOM 0 HD12 ILE B 515 21.022 -6.115 -4.548 1.00 0.00 H new ATOM 0 HD13 ILE B 515 19.558 -7.116 -4.398 1.00 0.00 H new TER 2208 ILE B 515