USER MOD reduce.3.24.130724 H: found=0, std=0, add=962, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 962 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 106 THR OG1 : rot 180:sc= 0.00599 USER MOD Set 1.2: A 110 ASN : amide:sc= 0.457 X(o=0.46,f=0.54) USER MOD Set 2.1: A 72 THR OG1 : rot 180:sc= 0.562 USER MOD Set 2.2: A 105 ASN : amide:sc= -1.15 K(o=-0.59,f=-6.8!) USER MOD Set 3.1: A 57 THR OG1 : rot 180:sc= 0.373 USER MOD Set 3.2: A 84 THR OG1 : rot -85:sc= 0.401 USER MOD Set 4.1: A 12 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 32 SER OG : rot 180:sc= -0.204 USER MOD Set 5.1: A 17 TYR OH : rot -178:sc= 1.26 USER MOD Set 5.2: A 29 HIS : no HD1:sc= 0.858 K(o=2.1,f=-4.7!) USER MOD Single : A 1 MET CE :methyl -160:sc= -0.129 (180deg=-0.604) USER MOD Single : A 1 MET N :NH3+ 146:sc= 0.0226 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00178) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -0.479 X(o=-0.48,f=-0.34) USER MOD Single : A 13 GLN : amide:sc= -0.47 K(o=-0.47,f=-2.1) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 HIS : no HD1:sc= -2.78 K(o=-2.8,f=-5.1!) USER MOD Single : A 19 TYR OH : rot 180:sc= -0.145 USER MOD Single : A 26 HIS : no HD1:sc= -0.116 X(o=-0.12,f=-0.023) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -1.8 K(o=-1.8,f=-4.2!) USER MOD Single : A 38 SER OG : rot 11:sc= 0.777 USER MOD Single : A 40 LYS NZ :NH3+ -142:sc= 0 (180deg=-0.263) USER MOD Single : A 44 THR OG1 : rot -50:sc= 0.395 USER MOD Single : A 45 ASN : amide:sc= 0.491 X(o=0.49,f=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 163:sc= -0.0528 (180deg=-0.349) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN :FLIP amide:sc=-0.00897 F(o=-0.8,f=-0.009) USER MOD Single : A 59 THR OG1 : rot -170:sc= -1.4 USER MOD Single : A 65 SER OG : rot -70:sc= -0.304 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 179:sc= 0.349 (180deg=0.343) USER MOD Single : A 77 MET CE :methyl -138:sc= 0 (180deg=-0.971) USER MOD Single : A 87 SER OG : rot 180:sc= 0.0114 USER MOD Single : A 88 LYS NZ :NH3+ -168:sc=-0.00755 (180deg=-0.159) USER MOD Single : A 89 ASN : amide:sc= -0.542 K(o=-0.54,f=-9.5!) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 GLN : amide:sc= -0.665 K(o=-0.66,f=-1.5!) USER MOD Single : A 95 ASN : amide:sc= -0.0443 K(o=-0.044,f=-0.6) USER MOD Single : A 99 THR OG1 : rot 180:sc= -0.104 USER MOD Single : A 102 TYR OH : rot -35:sc= -0.837 USER MOD Single : A 103 SER OG : rot 180:sc= 0.00975 USER MOD Single : A 108 THR OG1 : rot -34:sc= 0.165 USER MOD Single : A 109 GLN : amide:sc= 0.103 X(o=0.1,f=-0.15) USER MOD Single : A 111 LYS NZ :NH3+ 164:sc= 0.976 (180deg=0.774) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 118 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 119 HIS : no HD1:sc= -0.149 K(o=-0.15,f=-0.99) USER MOD Single : A 120 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 121 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 122 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 18.345 -30.452 -0.858 1.00 0.00 N ATOM 2 CA MET A 1 16.909 -30.223 -0.594 1.00 0.00 C ATOM 3 C MET A 1 16.680 -28.733 -0.272 1.00 0.00 C ATOM 4 O MET A 1 17.481 -28.121 0.433 1.00 0.00 O ATOM 5 CB MET A 1 16.428 -31.143 0.564 1.00 0.00 C ATOM 6 CG MET A 1 14.908 -31.181 0.784 1.00 0.00 C ATOM 7 SD MET A 1 14.424 -32.285 2.133 1.00 0.00 S ATOM 8 CE MET A 1 15.030 -33.872 1.548 1.00 0.00 C ATOM 0 H1 MET A 1 18.614 -31.397 -0.517 1.00 0.00 H new ATOM 0 H2 MET A 1 18.524 -30.389 -1.880 1.00 0.00 H new ATOM 0 H3 MET A 1 18.908 -29.731 -0.363 1.00 0.00 H new ATOM 0 HA MET A 1 16.323 -30.474 -1.478 1.00 0.00 H new ATOM 0 HB2 MET A 1 16.776 -32.157 0.368 1.00 0.00 H new ATOM 0 HB3 MET A 1 16.904 -30.815 1.488 1.00 0.00 H new ATOM 0 HG2 MET A 1 14.551 -30.174 0.999 1.00 0.00 H new ATOM 0 HG3 MET A 1 14.420 -31.503 -0.136 1.00 0.00 H new ATOM 0 HE1 MET A 1 14.512 -34.675 2.073 1.00 0.00 H new ATOM 0 HE2 MET A 1 14.845 -33.960 0.477 1.00 0.00 H new ATOM 0 HE3 MET A 1 16.101 -33.945 1.739 1.00 0.00 H new ATOM 20 N ILE A 2 15.605 -28.160 -0.835 1.00 0.00 N ATOM 21 CA ILE A 2 15.245 -26.736 -0.692 1.00 0.00 C ATOM 22 C ILE A 2 13.901 -26.615 0.045 1.00 0.00 C ATOM 23 O ILE A 2 12.965 -27.340 -0.289 1.00 0.00 O ATOM 24 CB ILE A 2 15.111 -26.049 -2.117 1.00 0.00 C ATOM 25 CG1 ILE A 2 16.469 -26.027 -2.898 1.00 0.00 C ATOM 26 CG2 ILE A 2 14.516 -24.624 -2.016 1.00 0.00 C ATOM 27 CD1 ILE A 2 17.528 -25.095 -2.331 1.00 0.00 C ATOM 0 H ILE A 2 14.947 -28.682 -1.414 1.00 0.00 H new ATOM 0 HA ILE A 2 16.031 -26.237 -0.125 1.00 0.00 H new ATOM 0 HB ILE A 2 14.416 -26.665 -2.687 1.00 0.00 H new ATOM 0 HG12 ILE A 2 16.873 -27.039 -2.920 1.00 0.00 H new ATOM 0 HG13 ILE A 2 16.271 -25.740 -3.931 1.00 0.00 H new ATOM 0 HG21 ILE A 2 14.441 -24.189 -3.013 1.00 0.00 H new ATOM 0 HG22 ILE A 2 13.524 -24.675 -1.567 1.00 0.00 H new ATOM 0 HG23 ILE A 2 15.163 -24.003 -1.397 1.00 0.00 H new ATOM 0 HD11 ILE A 2 18.429 -25.153 -2.942 1.00 0.00 H new ATOM 0 HD12 ILE A 2 17.152 -24.072 -2.335 1.00 0.00 H new ATOM 0 HD13 ILE A 2 17.764 -25.391 -1.309 1.00 0.00 H new ATOM 39 N GLU A 3 13.806 -25.707 1.044 1.00 0.00 N ATOM 40 CA GLU A 3 12.502 -25.288 1.614 1.00 0.00 C ATOM 41 C GLU A 3 12.147 -23.879 1.069 1.00 0.00 C ATOM 42 O GLU A 3 13.032 -23.018 0.986 1.00 0.00 O ATOM 43 CB GLU A 3 12.505 -25.290 3.179 1.00 0.00 C ATOM 44 CG GLU A 3 13.410 -24.233 3.850 1.00 0.00 C ATOM 45 CD GLU A 3 13.167 -24.073 5.361 1.00 0.00 C ATOM 46 OE1 GLU A 3 12.192 -23.391 5.741 1.00 0.00 O ATOM 47 OE2 GLU A 3 13.949 -24.613 6.177 1.00 0.00 O ATOM 0 H GLU A 3 14.613 -25.252 1.471 1.00 0.00 H new ATOM 0 HA GLU A 3 11.746 -26.011 1.307 1.00 0.00 H new ATOM 0 HB2 GLU A 3 11.483 -25.139 3.526 1.00 0.00 H new ATOM 0 HB3 GLU A 3 12.815 -26.277 3.522 1.00 0.00 H new ATOM 0 HG2 GLU A 3 14.453 -24.505 3.686 1.00 0.00 H new ATOM 0 HG3 GLU A 3 13.251 -23.271 3.363 1.00 0.00 H new ATOM 54 N PRO A 4 10.875 -23.628 0.621 1.00 0.00 N ATOM 55 CA PRO A 4 10.405 -22.261 0.256 1.00 0.00 C ATOM 56 C PRO A 4 10.365 -21.323 1.486 1.00 0.00 C ATOM 57 O PRO A 4 9.831 -21.692 2.533 1.00 0.00 O ATOM 58 CB PRO A 4 8.980 -22.505 -0.318 1.00 0.00 C ATOM 59 CG PRO A 4 8.957 -23.964 -0.672 1.00 0.00 C ATOM 60 CD PRO A 4 9.816 -24.636 0.368 1.00 0.00 C ATOM 0 HA PRO A 4 11.068 -21.766 -0.454 1.00 0.00 H new ATOM 0 HB2 PRO A 4 8.211 -22.263 0.415 1.00 0.00 H new ATOM 0 HB3 PRO A 4 8.793 -21.882 -1.193 1.00 0.00 H new ATOM 0 HG2 PRO A 4 7.940 -24.357 -0.657 1.00 0.00 H new ATOM 0 HG3 PRO A 4 9.349 -24.132 -1.675 1.00 0.00 H new ATOM 0 HD2 PRO A 4 9.252 -24.865 1.272 1.00 0.00 H new ATOM 0 HD3 PRO A 4 10.231 -25.576 0.004 1.00 0.00 H new ATOM 68 N ILE A 5 10.957 -20.124 1.349 1.00 0.00 N ATOM 69 CA ILE A 5 10.987 -19.087 2.414 1.00 0.00 C ATOM 70 C ILE A 5 10.414 -17.761 1.875 1.00 0.00 C ATOM 71 O ILE A 5 10.301 -17.592 0.658 1.00 0.00 O ATOM 72 CB ILE A 5 12.454 -18.871 2.947 1.00 0.00 C ATOM 73 CG1 ILE A 5 13.417 -18.603 1.749 1.00 0.00 C ATOM 74 CG2 ILE A 5 12.924 -20.082 3.793 1.00 0.00 C ATOM 75 CD1 ILE A 5 14.864 -18.364 2.099 1.00 0.00 C ATOM 0 H ILE A 5 11.433 -19.838 0.494 1.00 0.00 H new ATOM 0 HA ILE A 5 10.371 -19.429 3.245 1.00 0.00 H new ATOM 0 HB ILE A 5 12.466 -17.999 3.601 1.00 0.00 H new ATOM 0 HG12 ILE A 5 13.365 -19.454 1.070 1.00 0.00 H new ATOM 0 HG13 ILE A 5 13.049 -17.735 1.201 1.00 0.00 H new ATOM 0 HG21 ILE A 5 13.939 -19.906 4.148 1.00 0.00 H new ATOM 0 HG22 ILE A 5 12.258 -20.210 4.647 1.00 0.00 H new ATOM 0 HG23 ILE A 5 12.905 -20.983 3.180 1.00 0.00 H new ATOM 0 HD11 ILE A 5 15.435 -18.190 1.187 1.00 0.00 H new ATOM 0 HD12 ILE A 5 14.942 -17.492 2.748 1.00 0.00 H new ATOM 0 HD13 ILE A 5 15.263 -19.237 2.615 1.00 0.00 H new ATOM 87 N LYS A 6 10.054 -16.820 2.788 1.00 0.00 N ATOM 88 CA LYS A 6 9.481 -15.506 2.392 1.00 0.00 C ATOM 89 C LYS A 6 9.691 -14.428 3.468 1.00 0.00 C ATOM 90 O LYS A 6 9.731 -14.719 4.665 1.00 0.00 O ATOM 91 CB LYS A 6 7.969 -15.604 2.004 1.00 0.00 C ATOM 92 CG LYS A 6 6.940 -15.744 3.164 1.00 0.00 C ATOM 93 CD LYS A 6 7.049 -17.076 3.957 1.00 0.00 C ATOM 94 CE LYS A 6 6.830 -18.330 3.092 1.00 0.00 C ATOM 95 NZ LYS A 6 5.483 -18.371 2.486 1.00 0.00 N ATOM 0 H LYS A 6 10.150 -16.946 3.796 1.00 0.00 H new ATOM 0 HA LYS A 6 10.032 -15.202 1.502 1.00 0.00 H new ATOM 0 HB2 LYS A 6 7.710 -14.715 1.430 1.00 0.00 H new ATOM 0 HB3 LYS A 6 7.846 -16.459 1.340 1.00 0.00 H new ATOM 0 HG2 LYS A 6 7.073 -14.911 3.855 1.00 0.00 H new ATOM 0 HG3 LYS A 6 5.934 -15.660 2.754 1.00 0.00 H new ATOM 0 HD2 LYS A 6 8.034 -17.133 4.421 1.00 0.00 H new ATOM 0 HD3 LYS A 6 6.316 -17.069 4.764 1.00 0.00 H new ATOM 0 HE2 LYS A 6 7.581 -18.359 2.303 1.00 0.00 H new ATOM 0 HE3 LYS A 6 6.977 -19.220 3.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 5.380 -19.242 1.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 4.764 -18.354 3.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 5.356 -17.546 1.866 1.00 0.00 H new ATOM 109 N ARG A 7 9.872 -13.181 2.995 1.00 0.00 N ATOM 110 CA ARG A 7 9.886 -11.962 3.816 1.00 0.00 C ATOM 111 C ARG A 7 8.729 -11.065 3.373 1.00 0.00 C ATOM 112 O ARG A 7 8.459 -10.948 2.175 1.00 0.00 O ATOM 113 CB ARG A 7 11.225 -11.203 3.661 1.00 0.00 C ATOM 114 CG ARG A 7 12.462 -11.915 4.246 1.00 0.00 C ATOM 115 CD ARG A 7 12.343 -12.211 5.750 1.00 0.00 C ATOM 116 NE ARG A 7 12.214 -10.984 6.566 1.00 0.00 N ATOM 117 CZ ARG A 7 12.611 -10.851 7.846 1.00 0.00 C ATOM 118 NH1 ARG A 7 13.181 -11.868 8.490 1.00 0.00 N ATOM 119 NH2 ARG A 7 12.441 -9.692 8.468 1.00 0.00 N ATOM 0 H ARG A 7 10.016 -12.991 2.003 1.00 0.00 H new ATOM 0 HA ARG A 7 9.776 -12.236 4.865 1.00 0.00 H new ATOM 0 HB2 ARG A 7 11.399 -11.022 2.600 1.00 0.00 H new ATOM 0 HB3 ARG A 7 11.128 -10.228 4.139 1.00 0.00 H new ATOM 0 HG2 ARG A 7 12.620 -12.851 3.711 1.00 0.00 H new ATOM 0 HG3 ARG A 7 13.343 -11.297 4.074 1.00 0.00 H new ATOM 0 HD2 ARG A 7 11.477 -12.850 5.923 1.00 0.00 H new ATOM 0 HD3 ARG A 7 13.221 -12.769 6.077 1.00 0.00 H new ATOM 0 HE ARG A 7 11.789 -10.170 6.122 1.00 0.00 H new ATOM 0 HH11 ARG A 7 13.321 -12.759 8.014 1.00 0.00 H new ATOM 0 HH12 ARG A 7 13.478 -11.756 9.459 1.00 0.00 H new ATOM 0 HH21 ARG A 7 12.012 -8.908 7.977 1.00 0.00 H new ATOM 0 HH22 ARG A 7 12.740 -9.585 9.437 1.00 0.00 H new ATOM 133 N THR A 8 8.055 -10.423 4.333 1.00 0.00 N ATOM 134 CA THR A 8 6.874 -9.594 4.072 1.00 0.00 C ATOM 135 C THR A 8 7.215 -8.124 4.335 1.00 0.00 C ATOM 136 O THR A 8 7.672 -7.773 5.429 1.00 0.00 O ATOM 137 CB THR A 8 5.681 -10.028 4.982 1.00 0.00 C ATOM 138 OG1 THR A 8 5.463 -11.448 4.847 1.00 0.00 O ATOM 139 CG2 THR A 8 4.382 -9.266 4.638 1.00 0.00 C ATOM 0 H THR A 8 8.315 -10.464 5.318 1.00 0.00 H new ATOM 0 HA THR A 8 6.579 -9.724 3.031 1.00 0.00 H new ATOM 0 HB THR A 8 5.942 -9.784 6.012 1.00 0.00 H new ATOM 0 HG1 THR A 8 4.716 -11.720 5.419 1.00 0.00 H new ATOM 0 HG21 THR A 8 3.579 -9.600 5.296 1.00 0.00 H new ATOM 0 HG22 THR A 8 4.541 -8.196 4.774 1.00 0.00 H new ATOM 0 HG23 THR A 8 4.108 -9.463 3.602 1.00 0.00 H new ATOM 147 N GLN A 9 7.041 -7.282 3.316 1.00 0.00 N ATOM 148 CA GLN A 9 7.125 -5.828 3.467 1.00 0.00 C ATOM 149 C GLN A 9 5.777 -5.218 3.114 1.00 0.00 C ATOM 150 O GLN A 9 5.137 -5.658 2.167 1.00 0.00 O ATOM 151 CB GLN A 9 8.219 -5.237 2.551 1.00 0.00 C ATOM 152 CG GLN A 9 8.668 -3.827 2.950 1.00 0.00 C ATOM 153 CD GLN A 9 9.357 -3.799 4.323 1.00 0.00 C ATOM 154 OE1 GLN A 9 8.721 -3.551 5.345 1.00 0.00 O ATOM 155 NE2 GLN A 9 10.646 -4.125 4.355 1.00 0.00 N ATOM 0 H GLN A 9 6.838 -7.587 2.364 1.00 0.00 H new ATOM 0 HA GLN A 9 7.387 -5.595 4.499 1.00 0.00 H new ATOM 0 HB2 GLN A 9 9.084 -5.900 2.561 1.00 0.00 H new ATOM 0 HB3 GLN A 9 7.847 -5.213 1.527 1.00 0.00 H new ATOM 0 HG2 GLN A 9 9.352 -3.439 2.195 1.00 0.00 H new ATOM 0 HG3 GLN A 9 7.803 -3.164 2.967 1.00 0.00 H new ATOM 0 HE21 GLN A 9 11.143 -4.325 3.487 1.00 0.00 H new ATOM 0 HE22 GLN A 9 11.137 -4.175 5.247 1.00 0.00 H new ATOM 164 N VAL A 10 5.342 -4.205 3.873 1.00 0.00 N ATOM 165 CA VAL A 10 4.087 -3.499 3.599 1.00 0.00 C ATOM 166 C VAL A 10 4.351 -2.013 3.333 1.00 0.00 C ATOM 167 O VAL A 10 5.134 -1.363 4.047 1.00 0.00 O ATOM 168 CB VAL A 10 3.029 -3.693 4.748 1.00 0.00 C ATOM 169 CG1 VAL A 10 2.558 -5.169 4.817 1.00 0.00 C ATOM 170 CG2 VAL A 10 3.571 -3.204 6.115 1.00 0.00 C ATOM 0 H VAL A 10 5.846 -3.855 4.688 1.00 0.00 H new ATOM 0 HA VAL A 10 3.656 -3.940 2.700 1.00 0.00 H new ATOM 0 HB VAL A 10 2.163 -3.075 4.511 1.00 0.00 H new ATOM 0 HG11 VAL A 10 1.827 -5.281 5.618 1.00 0.00 H new ATOM 0 HG12 VAL A 10 2.102 -5.450 3.868 1.00 0.00 H new ATOM 0 HG13 VAL A 10 3.414 -5.815 5.014 1.00 0.00 H new ATOM 0 HG21 VAL A 10 2.812 -3.355 6.882 1.00 0.00 H new ATOM 0 HG22 VAL A 10 4.466 -3.769 6.375 1.00 0.00 H new ATOM 0 HG23 VAL A 10 3.817 -2.144 6.051 1.00 0.00 H new ATOM 180 N VAL A 11 3.734 -1.498 2.250 1.00 0.00 N ATOM 181 CA VAL A 11 3.723 -0.058 1.943 1.00 0.00 C ATOM 182 C VAL A 11 2.375 0.494 2.412 1.00 0.00 C ATOM 183 O VAL A 11 1.332 0.000 1.995 1.00 0.00 O ATOM 184 CB VAL A 11 3.982 0.239 0.415 1.00 0.00 C ATOM 185 CG1 VAL A 11 3.867 1.753 0.101 1.00 0.00 C ATOM 186 CG2 VAL A 11 5.370 -0.306 -0.005 1.00 0.00 C ATOM 0 H VAL A 11 3.232 -2.067 1.568 1.00 0.00 H new ATOM 0 HA VAL A 11 4.541 0.437 2.466 1.00 0.00 H new ATOM 0 HB VAL A 11 3.212 -0.272 -0.164 1.00 0.00 H new ATOM 0 HG11 VAL A 11 4.052 1.920 -0.960 1.00 0.00 H new ATOM 0 HG12 VAL A 11 2.866 2.102 0.354 1.00 0.00 H new ATOM 0 HG13 VAL A 11 4.603 2.303 0.688 1.00 0.00 H new ATOM 0 HG21 VAL A 11 5.539 -0.096 -1.061 1.00 0.00 H new ATOM 0 HG22 VAL A 11 6.146 0.177 0.590 1.00 0.00 H new ATOM 0 HG23 VAL A 11 5.403 -1.383 0.161 1.00 0.00 H new ATOM 196 N THR A 12 2.416 1.499 3.285 1.00 0.00 N ATOM 197 CA THR A 12 1.273 1.910 4.108 1.00 0.00 C ATOM 198 C THR A 12 0.739 3.277 3.644 1.00 0.00 C ATOM 199 O THR A 12 1.370 4.303 3.893 1.00 0.00 O ATOM 200 CB THR A 12 1.747 1.972 5.602 1.00 0.00 C ATOM 201 OG1 THR A 12 2.433 0.751 5.943 1.00 0.00 O ATOM 202 CG2 THR A 12 0.587 2.174 6.580 1.00 0.00 C ATOM 0 H THR A 12 3.253 2.060 3.445 1.00 0.00 H new ATOM 0 HA THR A 12 0.459 1.192 4.008 1.00 0.00 H new ATOM 0 HB THR A 12 2.412 2.831 5.690 1.00 0.00 H new ATOM 0 HG1 THR A 12 2.730 0.792 6.876 1.00 0.00 H new ATOM 0 HG21 THR A 12 0.972 2.209 7.599 1.00 0.00 H new ATOM 0 HG22 THR A 12 0.078 3.110 6.352 1.00 0.00 H new ATOM 0 HG23 THR A 12 -0.116 1.346 6.487 1.00 0.00 H new ATOM 210 N GLN A 13 -0.408 3.296 2.948 1.00 0.00 N ATOM 211 CA GLN A 13 -1.007 4.548 2.471 1.00 0.00 C ATOM 212 C GLN A 13 -2.115 4.977 3.443 1.00 0.00 C ATOM 213 O GLN A 13 -3.161 4.326 3.541 1.00 0.00 O ATOM 214 CB GLN A 13 -1.545 4.409 1.028 1.00 0.00 C ATOM 215 CG GLN A 13 -1.866 5.751 0.331 1.00 0.00 C ATOM 216 CD GLN A 13 -2.591 5.589 -1.010 1.00 0.00 C ATOM 217 OE1 GLN A 13 -3.305 4.606 -1.237 1.00 0.00 O ATOM 218 NE2 GLN A 13 -2.474 6.580 -1.876 1.00 0.00 N ATOM 0 H GLN A 13 -0.937 2.459 2.704 1.00 0.00 H new ATOM 0 HA GLN A 13 -0.238 5.320 2.442 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -0.810 3.870 0.430 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -2.448 3.799 1.048 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -2.481 6.358 0.996 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -0.937 6.298 0.168 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -1.877 7.378 -1.660 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -2.981 6.547 -2.761 1.00 0.00 H new ATOM 227 N THR A 14 -1.854 6.052 4.183 1.00 0.00 N ATOM 228 CA THR A 14 -2.764 6.573 5.200 1.00 0.00 C ATOM 229 C THR A 14 -3.796 7.528 4.560 1.00 0.00 C ATOM 230 O THR A 14 -3.460 8.668 4.229 1.00 0.00 O ATOM 231 CB THR A 14 -1.911 7.313 6.284 1.00 0.00 C ATOM 232 OG1 THR A 14 -0.871 6.438 6.767 1.00 0.00 O ATOM 233 CG2 THR A 14 -2.759 7.793 7.461 1.00 0.00 C ATOM 0 H THR A 14 -0.994 6.593 4.092 1.00 0.00 H new ATOM 0 HA THR A 14 -3.319 5.758 5.664 1.00 0.00 H new ATOM 0 HB THR A 14 -1.476 8.193 5.810 1.00 0.00 H new ATOM 0 HG1 THR A 14 -0.338 6.905 7.444 1.00 0.00 H new ATOM 0 HG21 THR A 14 -2.122 8.300 8.186 1.00 0.00 H new ATOM 0 HG22 THR A 14 -3.521 8.484 7.102 1.00 0.00 H new ATOM 0 HG23 THR A 14 -3.239 6.938 7.936 1.00 0.00 H new ATOM 241 N ILE A 15 -5.055 7.072 4.382 1.00 0.00 N ATOM 242 CA ILE A 15 -6.123 7.910 3.779 1.00 0.00 C ATOM 243 C ILE A 15 -6.917 8.635 4.872 1.00 0.00 C ATOM 244 O ILE A 15 -7.381 8.017 5.836 1.00 0.00 O ATOM 245 CB ILE A 15 -7.104 7.115 2.797 1.00 0.00 C ATOM 246 CG1 ILE A 15 -6.434 6.852 1.407 1.00 0.00 C ATOM 247 CG2 ILE A 15 -8.464 7.849 2.585 1.00 0.00 C ATOM 248 CD1 ILE A 15 -5.191 5.988 1.438 1.00 0.00 C ATOM 0 H ILE A 15 -5.359 6.134 4.644 1.00 0.00 H new ATOM 0 HA ILE A 15 -5.611 8.640 3.152 1.00 0.00 H new ATOM 0 HB ILE A 15 -7.306 6.162 3.286 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -7.167 6.381 0.753 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -6.178 7.812 0.959 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -9.091 7.266 1.910 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -8.970 7.962 3.544 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -8.283 8.833 2.152 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -4.806 5.868 0.425 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -4.433 6.463 2.060 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -5.438 5.010 1.851 1.00 0.00 H new ATOM 260 N HIS A 16 -7.054 9.961 4.694 1.00 0.00 N ATOM 261 CA HIS A 16 -7.815 10.837 5.587 1.00 0.00 C ATOM 262 C HIS A 16 -9.024 11.380 4.819 1.00 0.00 C ATOM 263 O HIS A 16 -8.867 11.932 3.733 1.00 0.00 O ATOM 264 CB HIS A 16 -6.932 12.014 6.090 1.00 0.00 C ATOM 265 CG HIS A 16 -5.732 11.607 6.910 1.00 0.00 C ATOM 266 ND1 HIS A 16 -5.512 12.045 8.195 1.00 0.00 N ATOM 267 CD2 HIS A 16 -4.663 10.842 6.603 1.00 0.00 C ATOM 268 CE1 HIS A 16 -4.371 11.562 8.639 1.00 0.00 C ATOM 269 NE2 HIS A 16 -3.829 10.832 7.696 1.00 0.00 N ATOM 0 H HIS A 16 -6.630 10.457 3.910 1.00 0.00 H new ATOM 0 HA HIS A 16 -8.145 10.270 6.458 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -6.587 12.584 5.227 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -7.551 12.683 6.687 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -4.493 10.330 5.667 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -3.951 11.738 9.618 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -2.938 10.339 7.762 1.00 0.00 H new ATOM 278 N TYR A 17 -10.220 11.205 5.375 1.00 0.00 N ATOM 279 CA TYR A 17 -11.454 11.762 4.816 1.00 0.00 C ATOM 280 C TYR A 17 -11.753 13.053 5.568 1.00 0.00 C ATOM 281 O TYR A 17 -11.924 13.026 6.792 1.00 0.00 O ATOM 282 CB TYR A 17 -12.632 10.764 4.972 1.00 0.00 C ATOM 283 CG TYR A 17 -12.399 9.406 4.297 1.00 0.00 C ATOM 284 CD1 TYR A 17 -12.375 9.292 2.912 1.00 0.00 C ATOM 285 CD2 TYR A 17 -12.192 8.249 5.036 1.00 0.00 C ATOM 286 CE1 TYR A 17 -12.146 8.086 2.288 1.00 0.00 C ATOM 287 CE2 TYR A 17 -11.972 7.046 4.419 1.00 0.00 C ATOM 288 CZ TYR A 17 -11.949 6.964 3.047 1.00 0.00 C ATOM 289 OH TYR A 17 -11.719 5.754 2.435 1.00 0.00 O ATOM 0 H TYR A 17 -10.364 10.670 6.231 1.00 0.00 H new ATOM 0 HA TYR A 17 -11.331 11.954 3.750 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -12.818 10.602 6.034 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -13.533 11.215 4.555 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -12.540 10.173 2.309 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -12.205 8.298 6.115 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -12.122 8.026 1.210 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -11.816 6.158 5.013 1.00 0.00 H new ATOM 0 HH TYR A 17 -11.630 5.055 3.116 1.00 0.00 H new ATOM 299 N ARG A 18 -11.774 14.182 4.852 1.00 0.00 N ATOM 300 CA ARG A 18 -12.090 15.504 5.426 1.00 0.00 C ATOM 301 C ARG A 18 -12.886 16.324 4.417 1.00 0.00 C ATOM 302 O ARG A 18 -12.847 16.045 3.226 1.00 0.00 O ATOM 303 CB ARG A 18 -10.814 16.296 5.831 1.00 0.00 C ATOM 304 CG ARG A 18 -9.954 15.641 6.939 1.00 0.00 C ATOM 305 CD ARG A 18 -8.939 16.612 7.558 1.00 0.00 C ATOM 306 NE ARG A 18 -8.042 17.226 6.551 1.00 0.00 N ATOM 307 CZ ARG A 18 -6.754 17.546 6.738 1.00 0.00 C ATOM 308 NH1 ARG A 18 -6.145 17.309 7.905 1.00 0.00 N ATOM 309 NH2 ARG A 18 -6.084 18.122 5.755 1.00 0.00 N ATOM 0 H ARG A 18 -11.572 14.210 3.853 1.00 0.00 H new ATOM 0 HA ARG A 18 -12.675 15.331 6.329 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -10.194 16.432 4.945 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -11.114 17.289 6.166 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -10.609 15.259 7.722 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -9.423 14.785 6.522 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -9.474 17.399 8.089 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -8.339 16.081 8.296 1.00 0.00 H new ATOM 0 HE ARG A 18 -8.441 17.423 5.633 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -6.662 16.878 8.671 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -5.164 17.560 8.028 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -6.548 18.318 4.868 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -5.103 18.371 5.884 1.00 0.00 H new ATOM 323 N TYR A 19 -13.597 17.345 4.916 1.00 0.00 N ATOM 324 CA TYR A 19 -14.386 18.280 4.100 1.00 0.00 C ATOM 325 C TYR A 19 -13.489 19.436 3.610 1.00 0.00 C ATOM 326 O TYR A 19 -12.351 19.586 4.065 1.00 0.00 O ATOM 327 CB TYR A 19 -15.572 18.844 4.936 1.00 0.00 C ATOM 328 CG TYR A 19 -16.559 17.782 5.471 1.00 0.00 C ATOM 329 CD1 TYR A 19 -16.315 17.099 6.665 1.00 0.00 C ATOM 330 CD2 TYR A 19 -17.739 17.477 4.795 1.00 0.00 C ATOM 331 CE1 TYR A 19 -17.197 16.160 7.155 1.00 0.00 C ATOM 332 CE2 TYR A 19 -18.627 16.539 5.288 1.00 0.00 C ATOM 333 CZ TYR A 19 -18.351 15.886 6.468 1.00 0.00 C ATOM 334 OH TYR A 19 -19.237 14.955 6.962 1.00 0.00 O ATOM 0 H TYR A 19 -13.641 17.548 5.915 1.00 0.00 H new ATOM 0 HA TYR A 19 -14.784 17.749 3.235 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -15.168 19.401 5.781 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -16.125 19.554 4.321 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -15.412 17.312 7.218 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -17.964 17.983 3.868 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -16.980 15.642 8.077 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -19.536 16.319 4.748 1.00 0.00 H new ATOM 0 HH TYR A 19 -20.004 14.880 6.356 1.00 0.00 H new ATOM 344 N GLU A 20 -14.030 20.263 2.700 1.00 0.00 N ATOM 345 CA GLU A 20 -13.376 21.514 2.246 1.00 0.00 C ATOM 346 C GLU A 20 -13.362 22.555 3.385 1.00 0.00 C ATOM 347 O GLU A 20 -12.551 23.483 3.401 1.00 0.00 O ATOM 348 CB GLU A 20 -14.100 22.095 1.000 1.00 0.00 C ATOM 349 CG GLU A 20 -15.580 22.468 1.239 1.00 0.00 C ATOM 350 CD GLU A 20 -16.121 23.464 0.213 1.00 0.00 C ATOM 351 OE1 GLU A 20 -16.605 23.046 -0.855 1.00 0.00 O ATOM 352 OE2 GLU A 20 -16.040 24.681 0.465 1.00 0.00 O ATOM 0 H GLU A 20 -14.931 20.089 2.256 1.00 0.00 H new ATOM 0 HA GLU A 20 -12.348 21.280 1.969 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -13.564 22.983 0.664 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -14.048 21.366 0.191 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -16.186 21.562 1.211 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -15.685 22.891 2.238 1.00 0.00 H new ATOM 359 N ASP A 21 -14.305 22.368 4.328 1.00 0.00 N ATOM 360 CA ASP A 21 -14.399 23.138 5.577 1.00 0.00 C ATOM 361 C ASP A 21 -13.196 22.852 6.506 1.00 0.00 C ATOM 362 O ASP A 21 -12.865 23.667 7.368 1.00 0.00 O ATOM 363 CB ASP A 21 -15.727 22.751 6.277 1.00 0.00 C ATOM 364 CG ASP A 21 -15.934 23.393 7.660 1.00 0.00 C ATOM 365 OD1 ASP A 21 -16.424 24.542 7.730 1.00 0.00 O ATOM 366 OD2 ASP A 21 -15.586 22.758 8.679 1.00 0.00 O ATOM 0 H ASP A 21 -15.036 21.663 4.238 1.00 0.00 H new ATOM 0 HA ASP A 21 -14.382 24.204 5.351 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -16.558 23.034 5.632 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -15.763 21.667 6.385 1.00 0.00 H new ATOM 371 N GLY A 22 -12.529 21.701 6.284 1.00 0.00 N ATOM 372 CA GLY A 22 -11.418 21.242 7.130 1.00 0.00 C ATOM 373 C GLY A 22 -11.845 20.155 8.110 1.00 0.00 C ATOM 374 O GLY A 22 -10.995 19.396 8.590 1.00 0.00 O ATOM 0 H GLY A 22 -12.748 21.068 5.515 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -10.616 20.862 6.497 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -11.013 22.089 7.684 1.00 0.00 H new ATOM 378 N ALA A 23 -13.173 20.072 8.380 1.00 0.00 N ATOM 379 CA ALA A 23 -13.766 19.109 9.338 1.00 0.00 C ATOM 380 C ALA A 23 -13.394 17.658 8.981 1.00 0.00 C ATOM 381 O ALA A 23 -13.409 17.289 7.814 1.00 0.00 O ATOM 382 CB ALA A 23 -15.299 19.285 9.375 1.00 0.00 C ATOM 0 H ALA A 23 -13.865 20.676 7.935 1.00 0.00 H new ATOM 0 HA ALA A 23 -13.359 19.316 10.328 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -15.730 18.575 10.081 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -15.541 20.300 9.689 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -15.710 19.104 8.382 1.00 0.00 H new ATOM 388 N VAL A 24 -13.040 16.857 9.989 1.00 0.00 N ATOM 389 CA VAL A 24 -12.573 15.479 9.795 1.00 0.00 C ATOM 390 C VAL A 24 -13.765 14.509 9.713 1.00 0.00 C ATOM 391 O VAL A 24 -14.441 14.278 10.714 1.00 0.00 O ATOM 392 CB VAL A 24 -11.598 15.043 10.955 1.00 0.00 C ATOM 393 CG1 VAL A 24 -11.101 13.598 10.745 1.00 0.00 C ATOM 394 CG2 VAL A 24 -10.418 16.047 11.094 1.00 0.00 C ATOM 0 H VAL A 24 -13.069 17.146 10.967 1.00 0.00 H new ATOM 0 HA VAL A 24 -12.025 15.442 8.854 1.00 0.00 H new ATOM 0 HB VAL A 24 -12.153 15.061 11.893 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -10.430 13.322 11.559 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -11.953 12.919 10.731 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -10.568 13.531 9.797 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -9.759 15.725 11.900 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -9.858 16.082 10.160 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -10.809 17.039 11.319 1.00 0.00 H new ATOM 404 N ALA A 25 -14.015 13.967 8.508 1.00 0.00 N ATOM 405 CA ALA A 25 -15.055 12.940 8.287 1.00 0.00 C ATOM 406 C ALA A 25 -14.625 11.599 8.930 1.00 0.00 C ATOM 407 O ALA A 25 -15.375 10.999 9.704 1.00 0.00 O ATOM 408 CB ALA A 25 -15.337 12.779 6.777 1.00 0.00 C ATOM 0 H ALA A 25 -13.506 14.225 7.662 1.00 0.00 H new ATOM 0 HA ALA A 25 -15.981 13.260 8.765 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -16.105 12.020 6.629 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -15.682 13.729 6.368 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -14.423 12.475 6.267 1.00 0.00 H new ATOM 414 N HIS A 26 -13.379 11.179 8.623 1.00 0.00 N ATOM 415 CA HIS A 26 -12.762 9.936 9.133 1.00 0.00 C ATOM 416 C HIS A 26 -11.281 9.901 8.688 1.00 0.00 C ATOM 417 O HIS A 26 -10.970 9.409 7.606 1.00 0.00 O ATOM 418 CB HIS A 26 -13.535 8.693 8.607 1.00 0.00 C ATOM 419 CG HIS A 26 -13.070 7.365 9.146 1.00 0.00 C ATOM 420 ND1 HIS A 26 -12.797 6.285 8.339 1.00 0.00 N ATOM 421 CD2 HIS A 26 -12.914 6.926 10.416 1.00 0.00 C ATOM 422 CE1 HIS A 26 -12.502 5.242 9.090 1.00 0.00 C ATOM 423 NE2 HIS A 26 -12.564 5.605 10.352 1.00 0.00 N ATOM 0 H HIS A 26 -12.763 11.704 8.003 1.00 0.00 H new ATOM 0 HA HIS A 26 -12.810 9.915 10.222 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -14.591 8.814 8.849 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -13.457 8.672 7.520 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -13.042 7.511 11.315 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -12.252 4.255 8.729 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -12.381 5.000 11.153 1.00 0.00 H new ATOM 432 N ASP A 27 -10.379 10.453 9.522 1.00 0.00 N ATOM 433 CA ASP A 27 -8.942 10.616 9.166 1.00 0.00 C ATOM 434 C ASP A 27 -8.190 9.268 9.134 1.00 0.00 C ATOM 435 O ASP A 27 -7.189 9.121 8.428 1.00 0.00 O ATOM 436 CB ASP A 27 -8.227 11.596 10.135 1.00 0.00 C ATOM 437 CG ASP A 27 -8.155 11.088 11.586 1.00 0.00 C ATOM 438 OD1 ASP A 27 -9.132 11.293 12.345 1.00 0.00 O ATOM 439 OD2 ASP A 27 -7.133 10.480 11.970 1.00 0.00 O ATOM 0 H ASP A 27 -10.614 10.797 10.453 1.00 0.00 H new ATOM 0 HA ASP A 27 -8.921 11.036 8.160 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -7.215 11.778 9.772 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -8.748 12.553 10.120 1.00 0.00 H new ATOM 444 N ASP A 28 -8.695 8.290 9.897 1.00 0.00 N ATOM 445 CA ASP A 28 -8.036 7.002 10.106 1.00 0.00 C ATOM 446 C ASP A 28 -8.665 5.927 9.207 1.00 0.00 C ATOM 447 O ASP A 28 -9.551 5.176 9.626 1.00 0.00 O ATOM 448 CB ASP A 28 -8.106 6.628 11.610 1.00 0.00 C ATOM 449 CG ASP A 28 -7.401 5.307 11.960 1.00 0.00 C ATOM 450 OD1 ASP A 28 -6.154 5.288 12.045 1.00 0.00 O ATOM 451 OD2 ASP A 28 -8.085 4.278 12.139 1.00 0.00 O ATOM 0 H ASP A 28 -9.583 8.376 10.391 1.00 0.00 H new ATOM 0 HA ASP A 28 -6.985 7.071 9.826 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -7.659 7.432 12.195 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -9.152 6.560 11.908 1.00 0.00 H new ATOM 456 N HIS A 29 -8.242 5.915 7.932 1.00 0.00 N ATOM 457 CA HIS A 29 -8.492 4.789 7.022 1.00 0.00 C ATOM 458 C HIS A 29 -7.184 4.482 6.297 1.00 0.00 C ATOM 459 O HIS A 29 -6.944 4.901 5.165 1.00 0.00 O ATOM 460 CB HIS A 29 -9.662 5.060 6.047 1.00 0.00 C ATOM 461 CG HIS A 29 -10.168 3.828 5.308 1.00 0.00 C ATOM 462 ND1 HIS A 29 -11.237 3.857 4.442 1.00 0.00 N ATOM 463 CD2 HIS A 29 -9.778 2.525 5.349 1.00 0.00 C ATOM 464 CE1 HIS A 29 -11.478 2.649 3.985 1.00 0.00 C ATOM 465 NE2 HIS A 29 -10.609 1.826 4.518 1.00 0.00 N ATOM 0 H HIS A 29 -7.720 6.681 7.507 1.00 0.00 H new ATOM 0 HA HIS A 29 -8.810 3.917 7.594 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -10.489 5.498 6.605 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -9.343 5.802 5.315 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -8.963 2.118 5.930 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -12.259 2.380 3.289 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -10.560 0.823 4.341 1.00 0.00 H new ATOM 474 N VAL A 30 -6.330 3.776 7.014 1.00 0.00 N ATOM 475 CA VAL A 30 -4.977 3.446 6.597 1.00 0.00 C ATOM 476 C VAL A 30 -4.991 2.069 5.920 1.00 0.00 C ATOM 477 O VAL A 30 -5.377 1.078 6.542 1.00 0.00 O ATOM 478 CB VAL A 30 -4.035 3.441 7.863 1.00 0.00 C ATOM 479 CG1 VAL A 30 -2.553 3.375 7.455 1.00 0.00 C ATOM 480 CG2 VAL A 30 -4.334 4.661 8.790 1.00 0.00 C ATOM 0 H VAL A 30 -6.565 3.403 7.934 1.00 0.00 H new ATOM 0 HA VAL A 30 -4.602 4.183 5.888 1.00 0.00 H new ATOM 0 HB VAL A 30 -4.247 2.540 8.438 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -1.929 3.373 8.349 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -2.373 2.464 6.885 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -2.306 4.242 6.842 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -3.671 4.632 9.654 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.171 5.586 8.238 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.370 4.617 9.126 1.00 0.00 H new ATOM 490 N VAL A 31 -4.609 2.024 4.641 1.00 0.00 N ATOM 491 CA VAL A 31 -4.467 0.774 3.875 1.00 0.00 C ATOM 492 C VAL A 31 -2.971 0.424 3.777 1.00 0.00 C ATOM 493 O VAL A 31 -2.114 1.296 3.958 1.00 0.00 O ATOM 494 CB VAL A 31 -5.110 0.914 2.437 1.00 0.00 C ATOM 495 CG1 VAL A 31 -4.318 1.902 1.540 1.00 0.00 C ATOM 496 CG2 VAL A 31 -5.302 -0.467 1.753 1.00 0.00 C ATOM 0 H VAL A 31 -4.387 2.859 4.099 1.00 0.00 H new ATOM 0 HA VAL A 31 -4.997 -0.029 4.387 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.103 1.341 2.574 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -4.795 1.968 0.562 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -4.308 2.888 2.005 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -3.295 1.546 1.422 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.746 -0.326 0.768 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.335 -0.959 1.648 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.960 -1.087 2.362 1.00 0.00 H new ATOM 506 N SER A 32 -2.660 -0.854 3.540 1.00 0.00 N ATOM 507 CA SER A 32 -1.279 -1.327 3.345 1.00 0.00 C ATOM 508 C SER A 32 -1.264 -2.434 2.280 1.00 0.00 C ATOM 509 O SER A 32 -2.181 -3.258 2.228 1.00 0.00 O ATOM 510 CB SER A 32 -0.687 -1.853 4.673 1.00 0.00 C ATOM 511 OG SER A 32 -0.713 -0.862 5.688 1.00 0.00 O ATOM 0 H SER A 32 -3.358 -1.595 3.477 1.00 0.00 H new ATOM 0 HA SER A 32 -0.664 -0.492 3.009 1.00 0.00 H new ATOM 0 HB2 SER A 32 -1.251 -2.726 5.002 1.00 0.00 H new ATOM 0 HB3 SER A 32 0.340 -2.180 4.510 1.00 0.00 H new ATOM 0 HG SER A 32 -0.333 -1.229 6.513 1.00 0.00 H new ATOM 517 N LEU A 33 -0.231 -2.445 1.430 1.00 0.00 N ATOM 518 CA LEU A 33 -0.040 -3.492 0.418 1.00 0.00 C ATOM 519 C LEU A 33 0.985 -4.493 0.924 1.00 0.00 C ATOM 520 O LEU A 33 2.089 -4.102 1.298 1.00 0.00 O ATOM 521 CB LEU A 33 0.444 -2.901 -0.921 1.00 0.00 C ATOM 522 CG LEU A 33 -0.547 -1.974 -1.665 1.00 0.00 C ATOM 523 CD1 LEU A 33 0.100 -1.445 -2.957 1.00 0.00 C ATOM 524 CD2 LEU A 33 -1.908 -2.674 -1.933 1.00 0.00 C ATOM 0 H LEU A 33 0.496 -1.729 1.424 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.999 -3.981 0.247 1.00 0.00 H new ATOM 0 HB2 LEU A 33 1.361 -2.341 -0.735 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.703 -3.726 -1.584 1.00 0.00 H new ATOM 0 HG LEU A 33 -0.770 -1.122 -1.023 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.603 -0.793 -3.476 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.001 -0.883 -2.709 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.361 -2.283 -3.603 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.573 -1.988 -2.457 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.747 -3.561 -2.545 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -2.360 -2.965 -0.985 1.00 0.00 H new ATOM 536 N ILE A 34 0.608 -5.771 0.934 1.00 0.00 N ATOM 537 CA ILE A 34 1.482 -6.862 1.345 1.00 0.00 C ATOM 538 C ILE A 34 2.309 -7.307 0.127 1.00 0.00 C ATOM 539 O ILE A 34 1.758 -7.734 -0.893 1.00 0.00 O ATOM 540 CB ILE A 34 0.681 -8.075 1.978 1.00 0.00 C ATOM 541 CG1 ILE A 34 -0.007 -7.662 3.340 1.00 0.00 C ATOM 542 CG2 ILE A 34 1.604 -9.314 2.178 1.00 0.00 C ATOM 543 CD1 ILE A 34 -1.237 -6.759 3.223 1.00 0.00 C ATOM 0 H ILE A 34 -0.323 -6.078 0.653 1.00 0.00 H new ATOM 0 HA ILE A 34 2.145 -6.505 2.133 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.106 -8.350 1.276 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.297 -8.571 3.868 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.733 -7.156 3.959 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.028 -10.130 2.614 1.00 0.00 H new ATOM 0 HG22 ILE A 34 2.006 -9.627 1.215 1.00 0.00 H new ATOM 0 HG23 ILE A 34 2.425 -9.052 2.846 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.624 -6.541 4.218 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.959 -5.828 2.730 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.005 -7.264 2.637 1.00 0.00 H new ATOM 555 N PHE A 35 3.623 -7.092 0.226 1.00 0.00 N ATOM 556 CA PHE A 35 4.635 -7.554 -0.734 1.00 0.00 C ATOM 557 C PHE A 35 5.333 -8.783 -0.161 1.00 0.00 C ATOM 558 O PHE A 35 5.931 -8.718 0.923 1.00 0.00 O ATOM 559 CB PHE A 35 5.682 -6.438 -1.000 1.00 0.00 C ATOM 560 CG PHE A 35 5.107 -5.193 -1.661 1.00 0.00 C ATOM 561 CD1 PHE A 35 4.438 -4.229 -0.912 1.00 0.00 C ATOM 562 CD2 PHE A 35 5.219 -4.997 -3.032 1.00 0.00 C ATOM 563 CE1 PHE A 35 3.905 -3.116 -1.515 1.00 0.00 C ATOM 564 CE2 PHE A 35 4.680 -3.881 -3.636 1.00 0.00 C ATOM 565 CZ PHE A 35 4.023 -2.941 -2.877 1.00 0.00 C ATOM 0 H PHE A 35 4.029 -6.573 1.004 1.00 0.00 H new ATOM 0 HA PHE A 35 4.148 -7.804 -1.677 1.00 0.00 H new ATOM 0 HB2 PHE A 35 6.143 -6.154 -0.054 1.00 0.00 H new ATOM 0 HB3 PHE A 35 6.473 -6.840 -1.633 1.00 0.00 H new ATOM 0 HD1 PHE A 35 4.337 -4.358 0.156 1.00 0.00 H new ATOM 0 HD2 PHE A 35 5.736 -5.730 -3.634 1.00 0.00 H new ATOM 0 HE1 PHE A 35 3.392 -2.375 -0.920 1.00 0.00 H new ATOM 0 HE2 PHE A 35 4.774 -3.745 -4.703 1.00 0.00 H new ATOM 0 HZ PHE A 35 3.600 -2.066 -3.348 1.00 0.00 H new ATOM 575 N THR A 36 5.246 -9.905 -0.877 1.00 0.00 N ATOM 576 CA THR A 36 5.896 -11.152 -0.483 1.00 0.00 C ATOM 577 C THR A 36 7.189 -11.333 -1.302 1.00 0.00 C ATOM 578 O THR A 36 7.153 -11.685 -2.490 1.00 0.00 O ATOM 579 CB THR A 36 4.930 -12.367 -0.688 1.00 0.00 C ATOM 580 OG1 THR A 36 3.658 -12.081 -0.079 1.00 0.00 O ATOM 581 CG2 THR A 36 5.494 -13.658 -0.075 1.00 0.00 C ATOM 0 H THR A 36 4.721 -9.973 -1.749 1.00 0.00 H new ATOM 0 HA THR A 36 6.150 -11.107 0.576 1.00 0.00 H new ATOM 0 HB THR A 36 4.817 -12.518 -1.762 1.00 0.00 H new ATOM 0 HG1 THR A 36 3.054 -12.842 -0.210 1.00 0.00 H new ATOM 0 HG21 THR A 36 4.792 -14.476 -0.240 1.00 0.00 H new ATOM 0 HG22 THR A 36 6.448 -13.898 -0.545 1.00 0.00 H new ATOM 0 HG23 THR A 36 5.643 -13.518 0.996 1.00 0.00 H new ATOM 589 N GLN A 37 8.326 -11.033 -0.661 1.00 0.00 N ATOM 590 CA GLN A 37 9.661 -11.258 -1.218 1.00 0.00 C ATOM 591 C GLN A 37 10.113 -12.664 -0.824 1.00 0.00 C ATOM 592 O GLN A 37 10.839 -12.851 0.158 1.00 0.00 O ATOM 593 CB GLN A 37 10.675 -10.168 -0.737 1.00 0.00 C ATOM 594 CG GLN A 37 10.532 -8.780 -1.410 1.00 0.00 C ATOM 595 CD GLN A 37 9.215 -8.037 -1.138 1.00 0.00 C ATOM 596 OE1 GLN A 37 8.724 -7.303 -1.994 1.00 0.00 O ATOM 597 NE2 GLN A 37 8.655 -8.187 0.059 1.00 0.00 N ATOM 0 H GLN A 37 8.342 -10.621 0.272 1.00 0.00 H new ATOM 0 HA GLN A 37 9.624 -11.178 -2.304 1.00 0.00 H new ATOM 0 HB2 GLN A 37 10.564 -10.043 0.340 1.00 0.00 H new ATOM 0 HB3 GLN A 37 11.686 -10.535 -0.912 1.00 0.00 H new ATOM 0 HG2 GLN A 37 11.358 -8.150 -1.079 1.00 0.00 H new ATOM 0 HG3 GLN A 37 10.640 -8.907 -2.487 1.00 0.00 H new ATOM 0 HE21 GLN A 37 9.085 -8.803 0.749 1.00 0.00 H new ATOM 0 HE22 GLN A 37 7.796 -7.686 0.286 1.00 0.00 H new ATOM 606 N SER A 38 9.604 -13.657 -1.564 1.00 0.00 N ATOM 607 CA SER A 38 9.897 -15.064 -1.308 1.00 0.00 C ATOM 608 C SER A 38 11.200 -15.476 -2.004 1.00 0.00 C ATOM 609 O SER A 38 11.463 -15.086 -3.145 1.00 0.00 O ATOM 610 CB SER A 38 8.721 -15.949 -1.758 1.00 0.00 C ATOM 611 OG SER A 38 8.363 -15.698 -3.098 1.00 0.00 O ATOM 0 H SER A 38 8.979 -13.503 -2.355 1.00 0.00 H new ATOM 0 HA SER A 38 10.031 -15.204 -0.235 1.00 0.00 H new ATOM 0 HB2 SER A 38 8.991 -16.999 -1.644 1.00 0.00 H new ATOM 0 HB3 SER A 38 7.862 -15.769 -1.112 1.00 0.00 H new ATOM 0 HG SER A 38 9.048 -15.139 -3.520 1.00 0.00 H new ATOM 617 N GLY A 39 12.021 -16.239 -1.280 1.00 0.00 N ATOM 618 CA GLY A 39 13.227 -16.855 -1.820 1.00 0.00 C ATOM 619 C GLY A 39 13.163 -18.355 -1.662 1.00 0.00 C ATOM 620 O GLY A 39 12.076 -18.931 -1.508 1.00 0.00 O ATOM 0 H GLY A 39 11.863 -16.446 -0.294 1.00 0.00 H new ATOM 0 HA2 GLY A 39 13.335 -16.597 -2.874 1.00 0.00 H new ATOM 0 HA3 GLY A 39 14.105 -16.465 -1.305 1.00 0.00 H new ATOM 624 N LYS A 40 14.328 -19.000 -1.643 1.00 0.00 N ATOM 625 CA LYS A 40 14.438 -20.446 -1.447 1.00 0.00 C ATOM 626 C LYS A 40 15.685 -20.741 -0.604 1.00 0.00 C ATOM 627 O LYS A 40 16.748 -20.154 -0.832 1.00 0.00 O ATOM 628 CB LYS A 40 14.407 -21.171 -2.831 1.00 0.00 C ATOM 629 CG LYS A 40 15.518 -20.801 -3.859 1.00 0.00 C ATOM 630 CD LYS A 40 16.828 -21.613 -3.687 1.00 0.00 C ATOM 631 CE LYS A 40 17.868 -21.304 -4.771 1.00 0.00 C ATOM 632 NZ LYS A 40 19.119 -22.078 -4.558 1.00 0.00 N ATOM 0 H LYS A 40 15.227 -18.533 -1.764 1.00 0.00 H new ATOM 0 HA LYS A 40 13.587 -20.839 -0.890 1.00 0.00 H new ATOM 0 HB2 LYS A 40 14.459 -22.245 -2.650 1.00 0.00 H new ATOM 0 HB3 LYS A 40 13.440 -20.973 -3.294 1.00 0.00 H new ATOM 0 HG2 LYS A 40 15.134 -20.959 -4.867 1.00 0.00 H new ATOM 0 HG3 LYS A 40 15.745 -19.739 -3.767 1.00 0.00 H new ATOM 0 HD2 LYS A 40 17.256 -21.399 -2.708 1.00 0.00 H new ATOM 0 HD3 LYS A 40 16.595 -22.678 -3.707 1.00 0.00 H new ATOM 0 HE2 LYS A 40 17.455 -21.540 -5.752 1.00 0.00 H new ATOM 0 HE3 LYS A 40 18.093 -20.238 -4.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 19.939 -21.486 -4.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 19.182 -22.368 -3.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 19.112 -22.923 -5.164 1.00 0.00 H new ATOM 646 N ARG A 41 15.549 -21.627 0.387 1.00 0.00 N ATOM 647 CA ARG A 41 16.610 -21.918 1.362 1.00 0.00 C ATOM 648 C ARG A 41 17.201 -23.296 1.074 1.00 0.00 C ATOM 649 O ARG A 41 16.470 -24.294 1.055 1.00 0.00 O ATOM 650 CB ARG A 41 16.046 -21.896 2.810 1.00 0.00 C ATOM 651 CG ARG A 41 17.086 -22.172 3.922 1.00 0.00 C ATOM 652 CD ARG A 41 16.455 -22.284 5.324 1.00 0.00 C ATOM 653 NE ARG A 41 15.713 -21.070 5.705 1.00 0.00 N ATOM 654 CZ ARG A 41 14.849 -20.959 6.728 1.00 0.00 C ATOM 655 NH1 ARG A 41 14.559 -22.002 7.513 1.00 0.00 N ATOM 656 NH2 ARG A 41 14.273 -19.796 6.957 1.00 0.00 N ATOM 0 H ARG A 41 14.697 -22.166 0.538 1.00 0.00 H new ATOM 0 HA ARG A 41 17.382 -21.154 1.274 1.00 0.00 H new ATOM 0 HB2 ARG A 41 15.592 -20.922 2.992 1.00 0.00 H new ATOM 0 HB3 ARG A 41 15.251 -22.638 2.885 1.00 0.00 H new ATOM 0 HG2 ARG A 41 17.617 -23.096 3.694 1.00 0.00 H new ATOM 0 HG3 ARG A 41 17.826 -21.372 3.926 1.00 0.00 H new ATOM 0 HD2 ARG A 41 15.782 -23.141 5.349 1.00 0.00 H new ATOM 0 HD3 ARG A 41 17.238 -22.473 6.058 1.00 0.00 H new ATOM 0 HE ARG A 41 15.870 -20.236 5.139 1.00 0.00 H new ATOM 0 HH11 ARG A 41 14.997 -22.907 7.341 1.00 0.00 H new ATOM 0 HH12 ARG A 41 13.900 -21.893 8.284 1.00 0.00 H new ATOM 0 HH21 ARG A 41 14.485 -18.996 6.361 1.00 0.00 H new ATOM 0 HH22 ARG A 41 13.615 -19.696 7.730 1.00 0.00 H new ATOM 670 N ASP A 42 18.511 -23.333 0.836 1.00 0.00 N ATOM 671 CA ASP A 42 19.276 -24.576 0.815 1.00 0.00 C ATOM 672 C ASP A 42 19.358 -25.122 2.232 1.00 0.00 C ATOM 673 O ASP A 42 19.741 -24.405 3.137 1.00 0.00 O ATOM 674 CB ASP A 42 20.690 -24.328 0.263 1.00 0.00 C ATOM 675 CG ASP A 42 21.615 -25.540 0.383 1.00 0.00 C ATOM 676 OD1 ASP A 42 21.197 -26.665 0.035 1.00 0.00 O ATOM 677 OD2 ASP A 42 22.763 -25.375 0.832 1.00 0.00 O ATOM 0 H ASP A 42 19.071 -22.501 0.652 1.00 0.00 H new ATOM 0 HA ASP A 42 18.780 -25.298 0.166 1.00 0.00 H new ATOM 0 HB2 ASP A 42 20.616 -24.040 -0.786 1.00 0.00 H new ATOM 0 HB3 ASP A 42 21.136 -23.487 0.794 1.00 0.00 H new ATOM 682 N LEU A 43 18.985 -26.390 2.401 1.00 0.00 N ATOM 683 CA LEU A 43 18.964 -27.052 3.711 1.00 0.00 C ATOM 684 C LEU A 43 20.332 -27.591 4.122 1.00 0.00 C ATOM 685 O LEU A 43 20.581 -27.770 5.321 1.00 0.00 O ATOM 686 CB LEU A 43 17.906 -28.175 3.696 1.00 0.00 C ATOM 687 CG LEU A 43 16.426 -27.670 3.610 1.00 0.00 C ATOM 688 CD1 LEU A 43 15.417 -28.828 3.605 1.00 0.00 C ATOM 689 CD2 LEU A 43 16.117 -26.657 4.733 1.00 0.00 C ATOM 0 H LEU A 43 18.687 -26.991 1.633 1.00 0.00 H new ATOM 0 HA LEU A 43 18.698 -26.306 4.460 1.00 0.00 H new ATOM 0 HB2 LEU A 43 18.103 -28.831 2.848 1.00 0.00 H new ATOM 0 HB3 LEU A 43 18.020 -28.777 4.598 1.00 0.00 H new ATOM 0 HG LEU A 43 16.318 -27.155 2.655 1.00 0.00 H new ATOM 0 HD11 LEU A 43 14.405 -28.428 3.544 1.00 0.00 H new ATOM 0 HD12 LEU A 43 15.605 -29.471 2.745 1.00 0.00 H new ATOM 0 HD13 LEU A 43 15.524 -29.408 4.522 1.00 0.00 H new ATOM 0 HD21 LEU A 43 15.083 -26.324 4.648 1.00 0.00 H new ATOM 0 HD22 LEU A 43 16.267 -27.132 5.703 1.00 0.00 H new ATOM 0 HD23 LEU A 43 16.783 -25.799 4.642 1.00 0.00 H new ATOM 701 N THR A 44 21.212 -27.839 3.141 1.00 0.00 N ATOM 702 CA THR A 44 22.497 -28.501 3.392 1.00 0.00 C ATOM 703 C THR A 44 23.442 -27.548 4.145 1.00 0.00 C ATOM 704 O THR A 44 24.071 -27.926 5.142 1.00 0.00 O ATOM 705 CB THR A 44 23.159 -29.016 2.069 1.00 0.00 C ATOM 706 OG1 THR A 44 23.822 -27.962 1.354 1.00 0.00 O ATOM 707 CG2 THR A 44 22.136 -29.654 1.125 1.00 0.00 C ATOM 0 H THR A 44 21.055 -27.590 2.164 1.00 0.00 H new ATOM 0 HA THR A 44 22.307 -29.376 4.013 1.00 0.00 H new ATOM 0 HB THR A 44 23.887 -29.764 2.382 1.00 0.00 H new ATOM 0 HG1 THR A 44 23.215 -27.199 1.259 1.00 0.00 H new ATOM 0 HG21 THR A 44 22.639 -29.997 0.221 1.00 0.00 H new ATOM 0 HG22 THR A 44 21.663 -30.502 1.620 1.00 0.00 H new ATOM 0 HG23 THR A 44 21.376 -28.918 0.861 1.00 0.00 H new ATOM 715 N ASN A 45 23.522 -26.296 3.655 1.00 0.00 N ATOM 716 CA ASN A 45 24.254 -25.216 4.348 1.00 0.00 C ATOM 717 C ASN A 45 23.325 -24.497 5.330 1.00 0.00 C ATOM 718 O ASN A 45 23.760 -24.053 6.400 1.00 0.00 O ATOM 719 CB ASN A 45 24.813 -24.162 3.349 1.00 0.00 C ATOM 720 CG ASN A 45 25.991 -24.644 2.509 1.00 0.00 C ATOM 721 OD1 ASN A 45 27.140 -24.575 2.944 1.00 0.00 O ATOM 722 ND2 ASN A 45 25.725 -25.084 1.294 1.00 0.00 N ATOM 0 H ASN A 45 23.087 -26.006 2.779 1.00 0.00 H new ATOM 0 HA ASN A 45 25.087 -25.682 4.875 1.00 0.00 H new ATOM 0 HB2 ASN A 45 24.010 -23.853 2.680 1.00 0.00 H new ATOM 0 HB3 ASN A 45 25.120 -23.278 3.908 1.00 0.00 H new ATOM 0 HD21 ASN A 45 26.485 -25.381 0.681 1.00 0.00 H new ATOM 0 HD22 ASN A 45 24.760 -25.127 0.967 1.00 0.00 H new ATOM 729 N GLY A 46 22.028 -24.426 4.974 1.00 0.00 N ATOM 730 CA GLY A 46 21.070 -23.580 5.697 1.00 0.00 C ATOM 731 C GLY A 46 20.974 -22.183 5.077 1.00 0.00 C ATOM 732 O GLY A 46 20.193 -21.349 5.538 1.00 0.00 O ATOM 0 H GLY A 46 21.625 -24.943 4.193 1.00 0.00 H new ATOM 0 HA2 GLY A 46 20.087 -24.052 5.687 1.00 0.00 H new ATOM 0 HA3 GLY A 46 21.373 -23.496 6.741 1.00 0.00 H new ATOM 736 N LYS A 47 21.754 -21.956 3.995 1.00 0.00 N ATOM 737 CA LYS A 47 21.877 -20.648 3.309 1.00 0.00 C ATOM 738 C LYS A 47 20.551 -20.262 2.621 1.00 0.00 C ATOM 739 O LYS A 47 19.901 -21.107 2.001 1.00 0.00 O ATOM 740 CB LYS A 47 23.058 -20.690 2.284 1.00 0.00 C ATOM 741 CG LYS A 47 22.920 -21.735 1.163 1.00 0.00 C ATOM 742 CD LYS A 47 24.109 -21.752 0.177 1.00 0.00 C ATOM 743 CE LYS A 47 24.215 -20.468 -0.656 1.00 0.00 C ATOM 744 NZ LYS A 47 25.449 -20.454 -1.485 1.00 0.00 N ATOM 0 H LYS A 47 22.324 -22.686 3.568 1.00 0.00 H new ATOM 0 HA LYS A 47 22.095 -19.881 4.052 1.00 0.00 H new ATOM 0 HB2 LYS A 47 23.157 -19.705 1.829 1.00 0.00 H new ATOM 0 HB3 LYS A 47 23.982 -20.885 2.828 1.00 0.00 H new ATOM 0 HG2 LYS A 47 22.817 -22.723 1.611 1.00 0.00 H new ATOM 0 HG3 LYS A 47 22.002 -21.540 0.608 1.00 0.00 H new ATOM 0 HD2 LYS A 47 25.035 -21.894 0.735 1.00 0.00 H new ATOM 0 HD3 LYS A 47 24.006 -22.606 -0.493 1.00 0.00 H new ATOM 0 HE2 LYS A 47 23.341 -20.379 -1.302 1.00 0.00 H new ATOM 0 HE3 LYS A 47 24.211 -19.602 0.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 25.488 -19.572 -2.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 26.283 -20.514 -0.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 25.440 -21.266 -2.134 1.00 0.00 H new ATOM 758 N GLU A 48 20.149 -18.989 2.755 1.00 0.00 N ATOM 759 CA GLU A 48 18.884 -18.471 2.196 1.00 0.00 C ATOM 760 C GLU A 48 19.159 -17.646 0.935 1.00 0.00 C ATOM 761 O GLU A 48 19.709 -16.539 1.005 1.00 0.00 O ATOM 762 CB GLU A 48 18.138 -17.637 3.264 1.00 0.00 C ATOM 763 CG GLU A 48 17.643 -18.472 4.453 1.00 0.00 C ATOM 764 CD GLU A 48 16.878 -17.649 5.500 1.00 0.00 C ATOM 765 OE1 GLU A 48 17.525 -16.982 6.332 1.00 0.00 O ATOM 766 OE2 GLU A 48 15.627 -17.663 5.484 1.00 0.00 O ATOM 0 H GLU A 48 20.692 -18.285 3.255 1.00 0.00 H new ATOM 0 HA GLU A 48 18.246 -19.308 1.913 1.00 0.00 H new ATOM 0 HB2 GLU A 48 18.801 -16.853 3.631 1.00 0.00 H new ATOM 0 HB3 GLU A 48 17.286 -17.142 2.798 1.00 0.00 H new ATOM 0 HG2 GLU A 48 16.996 -19.268 4.084 1.00 0.00 H new ATOM 0 HG3 GLU A 48 18.497 -18.951 4.932 1.00 0.00 H new ATOM 773 N ILE A 49 18.795 -18.220 -0.217 1.00 0.00 N ATOM 774 CA ILE A 49 18.995 -17.595 -1.527 1.00 0.00 C ATOM 775 C ILE A 49 17.715 -16.850 -1.898 1.00 0.00 C ATOM 776 O ILE A 49 16.763 -17.444 -2.421 1.00 0.00 O ATOM 777 CB ILE A 49 19.377 -18.614 -2.688 1.00 0.00 C ATOM 778 CG1 ILE A 49 20.607 -19.526 -2.320 1.00 0.00 C ATOM 779 CG2 ILE A 49 19.640 -17.851 -4.019 1.00 0.00 C ATOM 780 CD1 ILE A 49 20.311 -20.638 -1.317 1.00 0.00 C ATOM 0 H ILE A 49 18.351 -19.137 -0.266 1.00 0.00 H new ATOM 0 HA ILE A 49 19.848 -16.923 -1.436 1.00 0.00 H new ATOM 0 HB ILE A 49 18.522 -19.278 -2.818 1.00 0.00 H new ATOM 0 HG12 ILE A 49 20.992 -19.976 -3.235 1.00 0.00 H new ATOM 0 HG13 ILE A 49 21.399 -18.895 -1.917 1.00 0.00 H new ATOM 0 HG21 ILE A 49 19.900 -18.564 -4.802 1.00 0.00 H new ATOM 0 HG22 ILE A 49 18.742 -17.305 -4.309 1.00 0.00 H new ATOM 0 HG23 ILE A 49 20.462 -17.149 -3.880 1.00 0.00 H new ATOM 0 HD11 ILE A 49 21.220 -21.210 -1.129 1.00 0.00 H new ATOM 0 HD12 ILE A 49 19.957 -20.201 -0.383 1.00 0.00 H new ATOM 0 HD13 ILE A 49 19.544 -21.298 -1.722 1.00 0.00 H new ATOM 792 N TRP A 50 17.672 -15.574 -1.535 1.00 0.00 N ATOM 793 CA TRP A 50 16.644 -14.641 -1.989 1.00 0.00 C ATOM 794 C TRP A 50 17.107 -14.128 -3.347 1.00 0.00 C ATOM 795 O TRP A 50 18.239 -13.631 -3.428 1.00 0.00 O ATOM 796 CB TRP A 50 16.508 -13.464 -0.983 1.00 0.00 C ATOM 797 CG TRP A 50 16.395 -13.900 0.456 1.00 0.00 C ATOM 798 CD1 TRP A 50 17.411 -14.040 1.365 1.00 0.00 C ATOM 799 CD2 TRP A 50 15.202 -14.276 1.138 1.00 0.00 C ATOM 800 NE1 TRP A 50 16.913 -14.464 2.563 1.00 0.00 N ATOM 801 CE2 TRP A 50 15.561 -14.619 2.450 1.00 0.00 C ATOM 802 CE3 TRP A 50 13.864 -14.348 0.760 1.00 0.00 C ATOM 803 CZ2 TRP A 50 14.626 -15.027 3.388 1.00 0.00 C ATOM 804 CZ3 TRP A 50 12.941 -14.758 1.682 1.00 0.00 C ATOM 805 CH2 TRP A 50 13.322 -15.092 2.984 1.00 0.00 C ATOM 0 H TRP A 50 18.358 -15.151 -0.909 1.00 0.00 H new ATOM 0 HA TRP A 50 15.669 -15.123 -2.060 1.00 0.00 H new ATOM 0 HB2 TRP A 50 17.373 -12.808 -1.087 1.00 0.00 H new ATOM 0 HB3 TRP A 50 15.629 -12.875 -1.244 1.00 0.00 H new ATOM 0 HD1 TRP A 50 18.454 -13.844 1.163 1.00 0.00 H new ATOM 0 HE1 TRP A 50 17.461 -14.637 3.405 1.00 0.00 H new ATOM 0 HE3 TRP A 50 13.561 -14.085 -0.243 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 14.916 -15.283 4.396 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 11.901 -14.825 1.399 1.00 0.00 H new ATOM 0 HH2 TRP A 50 12.567 -15.409 3.689 1.00 0.00 H new ATOM 816 N ASP A 51 16.277 -14.277 -4.396 1.00 0.00 N ATOM 817 CA ASP A 51 16.661 -13.893 -5.768 1.00 0.00 C ATOM 818 C ASP A 51 17.162 -12.438 -5.788 1.00 0.00 C ATOM 819 O ASP A 51 16.484 -11.541 -5.278 1.00 0.00 O ATOM 820 CB ASP A 51 15.480 -14.089 -6.750 1.00 0.00 C ATOM 821 CG ASP A 51 15.858 -13.775 -8.210 1.00 0.00 C ATOM 822 OD1 ASP A 51 16.544 -14.602 -8.846 1.00 0.00 O ATOM 823 OD2 ASP A 51 15.503 -12.700 -8.718 1.00 0.00 O ATOM 0 H ASP A 51 15.335 -14.661 -4.320 1.00 0.00 H new ATOM 0 HA ASP A 51 17.472 -14.543 -6.097 1.00 0.00 H new ATOM 0 HB2 ASP A 51 15.126 -15.118 -6.685 1.00 0.00 H new ATOM 0 HB3 ASP A 51 14.652 -13.447 -6.448 1.00 0.00 H new ATOM 828 N SER A 52 18.391 -12.241 -6.297 1.00 0.00 N ATOM 829 CA SER A 52 19.065 -10.930 -6.313 1.00 0.00 C ATOM 830 C SER A 52 18.235 -9.876 -7.061 1.00 0.00 C ATOM 831 O SER A 52 18.162 -8.721 -6.642 1.00 0.00 O ATOM 832 CB SER A 52 20.466 -11.058 -6.946 1.00 0.00 C ATOM 833 OG SER A 52 21.260 -11.998 -6.243 1.00 0.00 O ATOM 0 H SER A 52 18.947 -12.989 -6.711 1.00 0.00 H new ATOM 0 HA SER A 52 19.169 -10.597 -5.280 1.00 0.00 H new ATOM 0 HB2 SER A 52 20.371 -11.365 -7.988 1.00 0.00 H new ATOM 0 HB3 SER A 52 20.960 -10.086 -6.943 1.00 0.00 H new ATOM 0 HG SER A 52 22.142 -12.062 -6.665 1.00 0.00 H new ATOM 839 N LYS A 53 17.585 -10.310 -8.150 1.00 0.00 N ATOM 840 CA LYS A 53 16.793 -9.438 -9.038 1.00 0.00 C ATOM 841 C LYS A 53 15.292 -9.493 -8.681 1.00 0.00 C ATOM 842 O LYS A 53 14.454 -9.096 -9.492 1.00 0.00 O ATOM 843 CB LYS A 53 17.014 -9.898 -10.504 1.00 0.00 C ATOM 844 CG LYS A 53 18.496 -9.943 -10.936 1.00 0.00 C ATOM 845 CD LYS A 53 18.696 -10.578 -12.333 1.00 0.00 C ATOM 846 CE LYS A 53 20.178 -10.838 -12.653 1.00 0.00 C ATOM 847 NZ LYS A 53 20.795 -11.791 -11.689 1.00 0.00 N ATOM 0 H LYS A 53 17.593 -11.286 -8.445 1.00 0.00 H new ATOM 0 HA LYS A 53 17.121 -8.406 -8.914 1.00 0.00 H new ATOM 0 HB2 LYS A 53 16.580 -10.890 -10.631 1.00 0.00 H new ATOM 0 HB3 LYS A 53 16.473 -9.225 -11.170 1.00 0.00 H new ATOM 0 HG2 LYS A 53 18.899 -8.930 -10.942 1.00 0.00 H new ATOM 0 HG3 LYS A 53 19.067 -10.509 -10.200 1.00 0.00 H new ATOM 0 HD2 LYS A 53 18.146 -11.518 -12.384 1.00 0.00 H new ATOM 0 HD3 LYS A 53 18.273 -9.920 -13.092 1.00 0.00 H new ATOM 0 HE2 LYS A 53 20.267 -11.236 -13.664 1.00 0.00 H new ATOM 0 HE3 LYS A 53 20.725 -9.895 -12.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 21.681 -12.162 -12.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 20.996 -11.299 -10.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 20.139 -12.578 -11.511 1.00 0.00 H new ATOM 861 N TRP A 54 14.963 -10.002 -7.475 1.00 0.00 N ATOM 862 CA TRP A 54 13.564 -10.133 -7.023 1.00 0.00 C ATOM 863 C TRP A 54 12.915 -8.750 -6.867 1.00 0.00 C ATOM 864 O TRP A 54 13.567 -7.790 -6.445 1.00 0.00 O ATOM 865 CB TRP A 54 13.463 -10.916 -5.684 1.00 0.00 C ATOM 866 CG TRP A 54 12.043 -11.250 -5.276 1.00 0.00 C ATOM 867 CD1 TRP A 54 11.161 -10.457 -4.586 1.00 0.00 C ATOM 868 CD2 TRP A 54 11.339 -12.465 -5.555 1.00 0.00 C ATOM 869 NE1 TRP A 54 9.960 -11.095 -4.451 1.00 0.00 N ATOM 870 CE2 TRP A 54 10.047 -12.330 -5.021 1.00 0.00 C ATOM 871 CE3 TRP A 54 11.678 -13.650 -6.212 1.00 0.00 C ATOM 872 CZ2 TRP A 54 9.099 -13.333 -5.112 1.00 0.00 C ATOM 873 CZ3 TRP A 54 10.730 -14.649 -6.303 1.00 0.00 C ATOM 874 CH2 TRP A 54 9.455 -14.482 -5.760 1.00 0.00 C ATOM 0 H TRP A 54 15.650 -10.329 -6.796 1.00 0.00 H new ATOM 0 HA TRP A 54 13.029 -10.698 -7.787 1.00 0.00 H new ATOM 0 HB2 TRP A 54 14.033 -11.841 -5.771 1.00 0.00 H new ATOM 0 HB3 TRP A 54 13.929 -10.327 -4.894 1.00 0.00 H new ATOM 0 HD1 TRP A 54 11.384 -9.471 -4.205 1.00 0.00 H new ATOM 0 HE1 TRP A 54 9.132 -10.709 -3.997 1.00 0.00 H new ATOM 0 HE3 TRP A 54 12.661 -13.782 -6.640 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 8.114 -13.212 -4.687 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 10.978 -15.574 -6.802 1.00 0.00 H new ATOM 0 HH2 TRP A 54 8.733 -15.280 -5.854 1.00 0.00 H new ATOM 885 N SER A 55 11.634 -8.685 -7.241 1.00 0.00 N ATOM 886 CA SER A 55 10.779 -7.522 -7.045 1.00 0.00 C ATOM 887 C SER A 55 9.320 -7.975 -7.006 1.00 0.00 C ATOM 888 O SER A 55 8.932 -8.871 -7.763 1.00 0.00 O ATOM 889 CB SER A 55 11.015 -6.508 -8.175 1.00 0.00 C ATOM 890 OG SER A 55 10.825 -7.100 -9.454 1.00 0.00 O ATOM 0 H SER A 55 11.156 -9.461 -7.699 1.00 0.00 H new ATOM 0 HA SER A 55 11.019 -7.035 -6.100 1.00 0.00 H new ATOM 0 HB2 SER A 55 10.333 -5.666 -8.058 1.00 0.00 H new ATOM 0 HB3 SER A 55 12.028 -6.111 -8.103 1.00 0.00 H new ATOM 0 HG SER A 55 10.981 -6.429 -10.151 1.00 0.00 H new ATOM 896 N LEU A 56 8.521 -7.370 -6.125 1.00 0.00 N ATOM 897 CA LEU A 56 7.087 -7.660 -6.003 1.00 0.00 C ATOM 898 C LEU A 56 6.332 -6.369 -6.359 1.00 0.00 C ATOM 899 O LEU A 56 6.678 -5.292 -5.856 1.00 0.00 O ATOM 900 CB LEU A 56 6.756 -8.160 -4.558 1.00 0.00 C ATOM 901 CG LEU A 56 5.465 -9.048 -4.375 1.00 0.00 C ATOM 902 CD1 LEU A 56 4.142 -8.264 -4.600 1.00 0.00 C ATOM 903 CD2 LEU A 56 5.534 -10.309 -5.273 1.00 0.00 C ATOM 0 H LEU A 56 8.851 -6.660 -5.471 1.00 0.00 H new ATOM 0 HA LEU A 56 6.782 -8.458 -6.680 1.00 0.00 H new ATOM 0 HB2 LEU A 56 7.611 -8.730 -4.195 1.00 0.00 H new ATOM 0 HB3 LEU A 56 6.658 -7.286 -3.913 1.00 0.00 H new ATOM 0 HG LEU A 56 5.451 -9.363 -3.332 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.294 -8.934 -4.459 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.079 -7.443 -3.885 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.124 -7.864 -5.614 1.00 0.00 H new ATOM 0 HD21 LEU A 56 4.634 -10.907 -5.131 1.00 0.00 H new ATOM 0 HD22 LEU A 56 5.608 -10.008 -6.318 1.00 0.00 H new ATOM 0 HD23 LEU A 56 6.409 -10.901 -5.003 1.00 0.00 H new ATOM 915 N THR A 57 5.336 -6.479 -7.251 1.00 0.00 N ATOM 916 CA THR A 57 4.498 -5.347 -7.666 1.00 0.00 C ATOM 917 C THR A 57 3.063 -5.554 -7.153 1.00 0.00 C ATOM 918 O THR A 57 2.446 -6.592 -7.418 1.00 0.00 O ATOM 919 CB THR A 57 4.504 -5.200 -9.222 1.00 0.00 C ATOM 920 OG1 THR A 57 5.862 -5.154 -9.688 1.00 0.00 O ATOM 921 CG2 THR A 57 3.771 -3.932 -9.696 1.00 0.00 C ATOM 0 H THR A 57 5.090 -7.358 -7.705 1.00 0.00 H new ATOM 0 HA THR A 57 4.903 -4.430 -7.237 1.00 0.00 H new ATOM 0 HB THR A 57 3.978 -6.062 -9.633 1.00 0.00 H new ATOM 0 HG1 THR A 57 5.870 -5.063 -10.664 1.00 0.00 H new ATOM 0 HG21 THR A 57 3.804 -3.878 -10.784 1.00 0.00 H new ATOM 0 HG22 THR A 57 2.733 -3.967 -9.366 1.00 0.00 H new ATOM 0 HG23 THR A 57 4.256 -3.052 -9.274 1.00 0.00 H new ATOM 929 N GLN A 58 2.557 -4.567 -6.402 1.00 0.00 N ATOM 930 CA GLN A 58 1.195 -4.569 -5.848 1.00 0.00 C ATOM 931 C GLN A 58 0.603 -3.161 -6.079 1.00 0.00 C ATOM 932 O GLN A 58 1.324 -2.166 -5.944 1.00 0.00 O ATOM 933 CB GLN A 58 1.248 -4.922 -4.327 1.00 0.00 C ATOM 934 CG GLN A 58 -0.057 -5.477 -3.722 1.00 0.00 C ATOM 935 CD GLN A 58 -0.388 -6.916 -4.153 1.00 0.00 C ATOM 936 OE1 GLN A 58 0.630 -7.759 -4.322 1.00 0.00 O flip ATOM 937 NE2 GLN A 58 -1.554 -7.279 -4.287 1.00 0.00 N flip ATOM 0 H GLN A 58 3.090 -3.732 -6.158 1.00 0.00 H new ATOM 0 HA GLN A 58 0.568 -5.316 -6.334 1.00 0.00 H new ATOM 0 HB2 GLN A 58 2.039 -5.655 -4.171 1.00 0.00 H new ATOM 0 HB3 GLN A 58 1.530 -4.026 -3.775 1.00 0.00 H new ATOM 0 HG2 GLN A 58 0.016 -5.443 -2.635 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -0.883 -4.825 -4.007 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -2.314 -6.613 -4.152 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -1.762 -8.247 -4.534 1.00 0.00 H new ATOM 946 N THR A 59 -0.692 -3.076 -6.420 1.00 0.00 N ATOM 947 CA THR A 59 -1.355 -1.802 -6.787 1.00 0.00 C ATOM 948 C THR A 59 -2.239 -1.268 -5.637 1.00 0.00 C ATOM 949 O THR A 59 -3.082 -2.007 -5.124 1.00 0.00 O ATOM 950 CB THR A 59 -2.243 -2.007 -8.064 1.00 0.00 C ATOM 951 OG1 THR A 59 -1.474 -2.635 -9.095 1.00 0.00 O ATOM 952 CG2 THR A 59 -2.806 -0.680 -8.614 1.00 0.00 C ATOM 0 H THR A 59 -1.314 -3.884 -6.451 1.00 0.00 H new ATOM 0 HA THR A 59 -0.572 -1.071 -6.988 1.00 0.00 H new ATOM 0 HB THR A 59 -3.083 -2.635 -7.765 1.00 0.00 H new ATOM 0 HG1 THR A 59 -1.978 -2.618 -9.935 1.00 0.00 H new ATOM 0 HG21 THR A 59 -3.413 -0.880 -9.497 1.00 0.00 H new ATOM 0 HG22 THR A 59 -3.421 -0.202 -7.852 1.00 0.00 H new ATOM 0 HG23 THR A 59 -1.982 -0.019 -8.882 1.00 0.00 H new ATOM 960 N PHE A 60 -2.035 0.008 -5.220 1.00 0.00 N ATOM 961 CA PHE A 60 -3.000 0.703 -4.339 1.00 0.00 C ATOM 962 C PHE A 60 -4.269 0.966 -5.141 1.00 0.00 C ATOM 963 O PHE A 60 -4.226 1.725 -6.100 1.00 0.00 O ATOM 964 CB PHE A 60 -2.448 2.047 -3.777 1.00 0.00 C ATOM 965 CG PHE A 60 -1.499 1.891 -2.601 1.00 0.00 C ATOM 966 CD1 PHE A 60 -1.970 1.418 -1.374 1.00 0.00 C ATOM 967 CD2 PHE A 60 -0.153 2.200 -2.710 1.00 0.00 C ATOM 968 CE1 PHE A 60 -1.115 1.264 -0.302 1.00 0.00 C ATOM 969 CE2 PHE A 60 0.701 2.044 -1.640 1.00 0.00 C ATOM 970 CZ PHE A 60 0.220 1.575 -0.438 1.00 0.00 C ATOM 0 H PHE A 60 -1.222 0.567 -5.477 1.00 0.00 H new ATOM 0 HA PHE A 60 -3.196 0.063 -3.479 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -1.932 2.577 -4.577 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -3.287 2.671 -3.471 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -3.015 1.170 -1.263 1.00 0.00 H new ATOM 0 HD2 PHE A 60 0.233 2.569 -3.649 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -1.492 0.900 0.642 1.00 0.00 H new ATOM 0 HE2 PHE A 60 1.748 2.290 -1.744 1.00 0.00 H new ATOM 0 HZ PHE A 60 0.891 1.451 0.399 1.00 0.00 H new ATOM 980 N GLU A 61 -5.361 0.290 -4.754 1.00 0.00 N ATOM 981 CA GLU A 61 -6.676 0.377 -5.414 1.00 0.00 C ATOM 982 C GLU A 61 -7.735 -0.290 -4.516 1.00 0.00 C ATOM 983 O GLU A 61 -7.450 -0.593 -3.350 1.00 0.00 O ATOM 984 CB GLU A 61 -6.648 -0.309 -6.809 1.00 0.00 C ATOM 985 CG GLU A 61 -6.306 -1.818 -6.772 1.00 0.00 C ATOM 986 CD GLU A 61 -6.569 -2.509 -8.110 1.00 0.00 C ATOM 987 OE1 GLU A 61 -5.664 -2.553 -8.965 1.00 0.00 O ATOM 988 OE2 GLU A 61 -7.706 -2.974 -8.329 1.00 0.00 O ATOM 0 H GLU A 61 -5.356 -0.346 -3.957 1.00 0.00 H new ATOM 0 HA GLU A 61 -6.927 1.427 -5.564 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -7.621 -0.181 -7.283 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -5.918 0.201 -7.437 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -5.258 -1.943 -6.501 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -6.896 -2.302 -5.994 1.00 0.00 H new ATOM 995 N ALA A 62 -8.964 -0.492 -5.067 1.00 0.00 N ATOM 996 CA ALA A 62 -10.107 -1.131 -4.359 1.00 0.00 C ATOM 997 C ALA A 62 -10.529 -0.340 -3.101 1.00 0.00 C ATOM 998 O ALA A 62 -11.310 -0.833 -2.276 1.00 0.00 O ATOM 999 CB ALA A 62 -9.785 -2.606 -4.033 1.00 0.00 C ATOM 0 H ALA A 62 -9.190 -0.214 -6.022 1.00 0.00 H new ATOM 0 HA ALA A 62 -10.966 -1.114 -5.030 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -10.632 -3.057 -3.516 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -9.593 -3.150 -4.958 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -8.903 -2.653 -3.395 1.00 0.00 H new ATOM 1005 N LEU A 63 -10.049 0.917 -3.007 1.00 0.00 N ATOM 1006 CA LEU A 63 -10.201 1.759 -1.822 1.00 0.00 C ATOM 1007 C LEU A 63 -11.050 2.993 -2.189 1.00 0.00 C ATOM 1008 O LEU A 63 -10.544 3.938 -2.813 1.00 0.00 O ATOM 1009 CB LEU A 63 -8.813 2.167 -1.268 1.00 0.00 C ATOM 1010 CG LEU A 63 -8.833 2.873 0.122 1.00 0.00 C ATOM 1011 CD1 LEU A 63 -9.409 1.952 1.220 1.00 0.00 C ATOM 1012 CD2 LEU A 63 -7.433 3.383 0.494 1.00 0.00 C ATOM 0 H LEU A 63 -9.541 1.373 -3.765 1.00 0.00 H new ATOM 0 HA LEU A 63 -10.712 1.204 -1.035 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -8.192 1.274 -1.195 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -8.333 2.831 -1.988 1.00 0.00 H new ATOM 0 HG LEU A 63 -9.496 3.735 0.048 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -9.407 2.478 2.174 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -10.431 1.673 0.962 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -8.797 1.054 1.300 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -7.471 3.872 1.467 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -6.739 2.543 0.536 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -7.094 4.096 -0.257 1.00 0.00 H new ATOM 1024 N PRO A 64 -12.371 2.976 -1.841 1.00 0.00 N ATOM 1025 CA PRO A 64 -13.307 4.054 -2.180 1.00 0.00 C ATOM 1026 C PRO A 64 -13.403 5.111 -1.040 1.00 0.00 C ATOM 1027 O PRO A 64 -12.428 5.320 -0.300 1.00 0.00 O ATOM 1028 CB PRO A 64 -14.605 3.237 -2.379 1.00 0.00 C ATOM 1029 CG PRO A 64 -14.543 2.154 -1.346 1.00 0.00 C ATOM 1030 CD PRO A 64 -13.067 1.907 -1.070 1.00 0.00 C ATOM 0 HA PRO A 64 -13.034 4.659 -3.044 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -15.489 3.861 -2.244 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -14.659 2.821 -3.385 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -15.063 2.455 -0.436 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -15.028 1.246 -1.705 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -12.844 1.973 -0.005 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -12.760 0.914 -1.399 1.00 0.00 H new ATOM 1038 N SER A 65 -14.568 5.776 -0.916 1.00 0.00 N ATOM 1039 CA SER A 65 -14.800 6.824 0.098 1.00 0.00 C ATOM 1040 C SER A 65 -16.298 6.849 0.511 1.00 0.00 C ATOM 1041 O SER A 65 -17.156 6.569 -0.340 1.00 0.00 O ATOM 1042 CB SER A 65 -14.365 8.189 -0.485 1.00 0.00 C ATOM 1043 OG SER A 65 -15.123 8.518 -1.631 1.00 0.00 O ATOM 0 H SER A 65 -15.375 5.602 -1.516 1.00 0.00 H new ATOM 0 HA SER A 65 -14.212 6.613 0.991 1.00 0.00 H new ATOM 0 HB2 SER A 65 -14.486 8.966 0.270 1.00 0.00 H new ATOM 0 HB3 SER A 65 -13.306 8.157 -0.742 1.00 0.00 H new ATOM 0 HG SER A 65 -14.872 7.926 -2.370 1.00 0.00 H new ATOM 1049 N PRO A 66 -16.645 7.147 1.820 1.00 0.00 N ATOM 1050 CA PRO A 66 -18.057 7.277 2.279 1.00 0.00 C ATOM 1051 C PRO A 66 -18.819 8.376 1.504 1.00 0.00 C ATOM 1052 O PRO A 66 -18.332 9.510 1.405 1.00 0.00 O ATOM 1053 CB PRO A 66 -17.913 7.648 3.791 1.00 0.00 C ATOM 1054 CG PRO A 66 -16.517 8.159 3.937 1.00 0.00 C ATOM 1055 CD PRO A 66 -15.702 7.346 2.960 1.00 0.00 C ATOM 0 HA PRO A 66 -18.634 6.368 2.112 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -18.642 8.404 4.082 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -18.083 6.780 4.428 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -16.460 9.223 3.709 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -16.154 8.031 4.957 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -14.800 7.873 2.650 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -15.384 6.397 3.391 1.00 0.00 H new ATOM 1063 N VAL A 67 -19.997 8.036 0.936 1.00 0.00 N ATOM 1064 CA VAL A 67 -20.822 9.006 0.190 1.00 0.00 C ATOM 1065 C VAL A 67 -21.557 9.905 1.194 1.00 0.00 C ATOM 1066 O VAL A 67 -22.479 9.463 1.873 1.00 0.00 O ATOM 1067 CB VAL A 67 -21.849 8.293 -0.774 1.00 0.00 C ATOM 1068 CG1 VAL A 67 -22.716 9.320 -1.550 1.00 0.00 C ATOM 1069 CG2 VAL A 67 -21.111 7.338 -1.746 1.00 0.00 C ATOM 0 H VAL A 67 -20.396 7.098 0.981 1.00 0.00 H new ATOM 0 HA VAL A 67 -20.167 9.607 -0.441 1.00 0.00 H new ATOM 0 HB VAL A 67 -22.526 7.701 -0.158 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -23.410 8.791 -2.203 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -23.277 9.931 -0.843 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -22.071 9.961 -2.150 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -21.835 6.856 -2.402 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -20.400 7.907 -2.346 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -20.577 6.579 -1.175 1.00 0.00 H new ATOM 1079 N ILE A 68 -21.094 11.157 1.296 1.00 0.00 N ATOM 1080 CA ILE A 68 -21.654 12.166 2.196 1.00 0.00 C ATOM 1081 C ILE A 68 -22.624 13.045 1.412 1.00 0.00 C ATOM 1082 O ILE A 68 -22.309 13.496 0.309 1.00 0.00 O ATOM 1083 CB ILE A 68 -20.514 13.039 2.840 1.00 0.00 C ATOM 1084 CG1 ILE A 68 -19.518 12.135 3.639 1.00 0.00 C ATOM 1085 CG2 ILE A 68 -21.091 14.161 3.740 1.00 0.00 C ATOM 1086 CD1 ILE A 68 -18.358 12.870 4.285 1.00 0.00 C ATOM 0 H ILE A 68 -20.307 11.500 0.745 1.00 0.00 H new ATOM 0 HA ILE A 68 -22.185 11.668 3.007 1.00 0.00 H new ATOM 0 HB ILE A 68 -19.968 13.524 2.031 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -20.072 11.609 4.416 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -19.118 11.378 2.965 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -20.273 14.742 4.167 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -21.728 14.814 3.144 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -21.678 13.717 4.544 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -17.725 12.158 4.814 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -17.772 13.373 3.516 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -18.742 13.608 4.990 1.00 0.00 H new ATOM 1098 N ILE A 69 -23.784 13.277 2.019 1.00 0.00 N ATOM 1099 CA ILE A 69 -24.914 13.972 1.439 1.00 0.00 C ATOM 1100 C ILE A 69 -24.577 15.471 1.294 1.00 0.00 C ATOM 1101 O ILE A 69 -24.246 16.145 2.279 1.00 0.00 O ATOM 1102 CB ILE A 69 -26.189 13.742 2.352 1.00 0.00 C ATOM 1103 CG1 ILE A 69 -26.706 12.243 2.332 1.00 0.00 C ATOM 1104 CG2 ILE A 69 -27.349 14.712 1.979 1.00 0.00 C ATOM 1105 CD1 ILE A 69 -25.719 11.130 2.677 1.00 0.00 C ATOM 0 H ILE A 69 -23.964 12.968 2.974 1.00 0.00 H new ATOM 0 HA ILE A 69 -25.133 13.582 0.445 1.00 0.00 H new ATOM 0 HB ILE A 69 -25.862 13.960 3.369 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -27.543 12.171 3.026 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -27.100 12.041 1.336 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -28.204 14.523 2.627 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -27.017 15.742 2.108 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -27.638 14.551 0.940 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -26.223 10.165 2.619 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -24.889 11.148 1.971 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -25.339 11.281 3.688 1.00 0.00 H new ATOM 1117 N GLY A 70 -24.634 15.951 0.042 1.00 0.00 N ATOM 1118 CA GLY A 70 -24.324 17.333 -0.297 1.00 0.00 C ATOM 1119 C GLY A 70 -22.828 17.611 -0.411 1.00 0.00 C ATOM 1120 O GLY A 70 -22.413 18.778 -0.454 1.00 0.00 O ATOM 0 H GLY A 70 -24.899 15.382 -0.762 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -24.805 17.584 -1.242 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -24.751 17.989 0.461 1.00 0.00 H new ATOM 1124 N TYR A 71 -22.016 16.550 -0.472 1.00 0.00 N ATOM 1125 CA TYR A 71 -20.548 16.652 -0.632 1.00 0.00 C ATOM 1126 C TYR A 71 -20.050 15.582 -1.603 1.00 0.00 C ATOM 1127 O TYR A 71 -20.741 14.588 -1.854 1.00 0.00 O ATOM 1128 CB TYR A 71 -19.828 16.492 0.730 1.00 0.00 C ATOM 1129 CG TYR A 71 -20.059 17.654 1.711 1.00 0.00 C ATOM 1130 CD1 TYR A 71 -19.268 18.808 1.667 1.00 0.00 C ATOM 1131 CD2 TYR A 71 -21.059 17.593 2.680 1.00 0.00 C ATOM 1132 CE1 TYR A 71 -19.469 19.847 2.555 1.00 0.00 C ATOM 1133 CE2 TYR A 71 -21.263 18.628 3.563 1.00 0.00 C ATOM 1134 CZ TYR A 71 -20.464 19.750 3.502 1.00 0.00 C ATOM 1135 OH TYR A 71 -20.663 20.781 4.392 1.00 0.00 O ATOM 0 H TYR A 71 -22.353 15.589 -0.412 1.00 0.00 H new ATOM 0 HA TYR A 71 -20.320 17.640 -1.031 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -20.163 15.566 1.197 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -18.758 16.390 0.552 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -18.487 18.888 0.926 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -21.686 16.716 2.739 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -18.849 20.730 2.507 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -22.047 18.562 4.302 1.00 0.00 H new ATOM 0 HH TYR A 71 -21.404 20.556 4.993 1.00 0.00 H new ATOM 1145 N THR A 72 -18.846 15.799 -2.143 1.00 0.00 N ATOM 1146 CA THR A 72 -18.157 14.838 -3.010 1.00 0.00 C ATOM 1147 C THR A 72 -16.652 15.035 -2.848 1.00 0.00 C ATOM 1148 O THR A 72 -16.159 16.159 -2.990 1.00 0.00 O ATOM 1149 CB THR A 72 -18.565 14.994 -4.520 1.00 0.00 C ATOM 1150 OG1 THR A 72 -19.972 14.763 -4.659 1.00 0.00 O ATOM 1151 CG2 THR A 72 -17.811 14.014 -5.450 1.00 0.00 C ATOM 0 H THR A 72 -18.317 16.657 -1.988 1.00 0.00 H new ATOM 0 HA THR A 72 -18.449 13.832 -2.710 1.00 0.00 H new ATOM 0 HB THR A 72 -18.298 16.008 -4.818 1.00 0.00 H new ATOM 0 HG1 THR A 72 -20.228 14.862 -5.600 1.00 0.00 H new ATOM 0 HG21 THR A 72 -18.134 14.168 -6.480 1.00 0.00 H new ATOM 0 HG22 THR A 72 -16.739 14.194 -5.375 1.00 0.00 H new ATOM 0 HG23 THR A 72 -18.029 12.989 -5.151 1.00 0.00 H new ATOM 1159 N ALA A 73 -15.939 13.938 -2.532 1.00 0.00 N ATOM 1160 CA ALA A 73 -14.486 13.935 -2.358 1.00 0.00 C ATOM 1161 C ALA A 73 -13.774 14.349 -3.658 1.00 0.00 C ATOM 1162 O ALA A 73 -14.288 14.091 -4.756 1.00 0.00 O ATOM 1163 CB ALA A 73 -14.018 12.547 -1.902 1.00 0.00 C ATOM 0 H ALA A 73 -16.366 13.023 -2.390 1.00 0.00 H new ATOM 0 HA ALA A 73 -14.227 14.665 -1.591 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -12.936 12.552 -1.774 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -14.494 12.296 -0.954 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -14.292 11.806 -2.653 1.00 0.00 H new ATOM 1169 N ASP A 74 -12.592 14.969 -3.512 1.00 0.00 N ATOM 1170 CA ASP A 74 -11.764 15.412 -4.657 1.00 0.00 C ATOM 1171 C ASP A 74 -11.291 14.183 -5.453 1.00 0.00 C ATOM 1172 O ASP A 74 -11.085 14.239 -6.668 1.00 0.00 O ATOM 1173 CB ASP A 74 -10.557 16.236 -4.146 1.00 0.00 C ATOM 1174 CG ASP A 74 -9.658 16.778 -5.279 1.00 0.00 C ATOM 1175 OD1 ASP A 74 -9.938 17.870 -5.800 1.00 0.00 O ATOM 1176 OD2 ASP A 74 -8.686 16.101 -5.663 1.00 0.00 O ATOM 0 H ASP A 74 -12.180 15.179 -2.603 1.00 0.00 H new ATOM 0 HA ASP A 74 -12.357 16.047 -5.315 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -10.924 17.073 -3.552 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -9.957 15.613 -3.483 1.00 0.00 H new ATOM 1181 N LYS A 75 -11.138 13.072 -4.712 1.00 0.00 N ATOM 1182 CA LYS A 75 -10.939 11.735 -5.256 1.00 0.00 C ATOM 1183 C LYS A 75 -11.890 10.771 -4.501 1.00 0.00 C ATOM 1184 O LYS A 75 -11.593 10.351 -3.380 1.00 0.00 O ATOM 1185 CB LYS A 75 -9.437 11.271 -5.200 1.00 0.00 C ATOM 1186 CG LYS A 75 -8.701 11.353 -3.828 1.00 0.00 C ATOM 1187 CD LYS A 75 -8.292 12.786 -3.413 1.00 0.00 C ATOM 1188 CE LYS A 75 -7.315 13.451 -4.392 1.00 0.00 C ATOM 1189 NZ LYS A 75 -6.017 12.753 -4.466 1.00 0.00 N ATOM 0 H LYS A 75 -11.151 13.089 -3.692 1.00 0.00 H new ATOM 0 HA LYS A 75 -11.182 11.734 -6.319 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -9.393 10.237 -5.542 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -8.875 11.869 -5.918 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -9.347 10.934 -3.056 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -7.808 10.730 -3.870 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -9.188 13.402 -3.331 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -7.836 12.753 -2.423 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -7.765 13.479 -5.385 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -7.150 14.485 -4.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -5.403 13.234 -5.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -5.564 12.763 -3.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -6.169 11.769 -4.767 1.00 0.00 H new ATOM 1203 N PRO A 76 -13.104 10.464 -5.085 1.00 0.00 N ATOM 1204 CA PRO A 76 -14.055 9.469 -4.501 1.00 0.00 C ATOM 1205 C PRO A 76 -13.526 8.022 -4.627 1.00 0.00 C ATOM 1206 O PRO A 76 -14.091 7.087 -4.070 1.00 0.00 O ATOM 1207 CB PRO A 76 -15.332 9.681 -5.352 1.00 0.00 C ATOM 1208 CG PRO A 76 -14.827 10.182 -6.668 1.00 0.00 C ATOM 1209 CD PRO A 76 -13.649 11.065 -6.338 1.00 0.00 C ATOM 0 HA PRO A 76 -14.216 9.609 -3.432 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -15.890 8.752 -5.469 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -16.005 10.400 -4.885 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -14.530 9.356 -7.314 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -15.599 10.740 -7.198 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -12.909 11.064 -7.139 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -13.953 12.101 -6.187 1.00 0.00 H new ATOM 1217 N MET A 77 -12.421 7.888 -5.357 1.00 0.00 N ATOM 1218 CA MET A 77 -11.674 6.655 -5.528 1.00 0.00 C ATOM 1219 C MET A 77 -10.192 7.016 -5.466 1.00 0.00 C ATOM 1220 O MET A 77 -9.758 7.928 -6.180 1.00 0.00 O ATOM 1221 CB MET A 77 -12.037 6.000 -6.890 1.00 0.00 C ATOM 1222 CG MET A 77 -11.268 4.713 -7.188 1.00 0.00 C ATOM 1223 SD MET A 77 -11.493 3.476 -5.896 1.00 0.00 S ATOM 1224 CE MET A 77 -10.321 2.229 -6.404 1.00 0.00 C ATOM 0 H MET A 77 -12.009 8.671 -5.864 1.00 0.00 H new ATOM 0 HA MET A 77 -11.916 5.933 -4.748 1.00 0.00 H new ATOM 0 HB2 MET A 77 -13.105 5.784 -6.904 1.00 0.00 H new ATOM 0 HB3 MET A 77 -11.847 6.717 -7.688 1.00 0.00 H new ATOM 0 HG2 MET A 77 -11.601 4.305 -8.142 1.00 0.00 H new ATOM 0 HG3 MET A 77 -10.207 4.940 -7.291 1.00 0.00 H new ATOM 0 HE1 MET A 77 -10.766 1.241 -6.284 1.00 0.00 H new ATOM 0 HE2 MET A 77 -10.056 2.383 -7.450 1.00 0.00 H new ATOM 0 HE3 MET A 77 -9.424 2.300 -5.789 1.00 0.00 H new ATOM 1234 N VAL A 78 -9.433 6.335 -4.591 1.00 0.00 N ATOM 1235 CA VAL A 78 -7.981 6.544 -4.476 1.00 0.00 C ATOM 1236 C VAL A 78 -7.312 6.087 -5.786 1.00 0.00 C ATOM 1237 O VAL A 78 -7.497 4.933 -6.202 1.00 0.00 O ATOM 1238 CB VAL A 78 -7.381 5.794 -3.222 1.00 0.00 C ATOM 1239 CG1 VAL A 78 -5.843 5.989 -3.113 1.00 0.00 C ATOM 1240 CG2 VAL A 78 -8.101 6.256 -1.922 1.00 0.00 C ATOM 0 H VAL A 78 -9.804 5.633 -3.951 1.00 0.00 H new ATOM 0 HA VAL A 78 -7.781 7.604 -4.320 1.00 0.00 H new ATOM 0 HB VAL A 78 -7.556 4.726 -3.355 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -5.470 5.457 -2.238 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -5.362 5.596 -4.009 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.617 7.051 -3.016 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -7.678 5.731 -1.066 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -7.965 7.330 -1.793 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -9.165 6.031 -1.996 1.00 0.00 H new ATOM 1250 N GLY A 79 -6.604 7.041 -6.439 1.00 0.00 N ATOM 1251 CA GLY A 79 -5.992 6.847 -7.755 1.00 0.00 C ATOM 1252 C GLY A 79 -5.091 5.615 -7.810 1.00 0.00 C ATOM 1253 O GLY A 79 -4.096 5.579 -7.084 1.00 0.00 O ATOM 0 H GLY A 79 -6.447 7.972 -6.054 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -6.777 6.752 -8.506 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -5.409 7.731 -8.014 1.00 0.00 H new ATOM 1257 N PRO A 80 -5.415 4.578 -8.642 1.00 0.00 N ATOM 1258 CA PRO A 80 -4.676 3.308 -8.624 1.00 0.00 C ATOM 1259 C PRO A 80 -3.250 3.443 -9.197 1.00 0.00 C ATOM 1260 O PRO A 80 -3.064 3.987 -10.295 1.00 0.00 O ATOM 1261 CB PRO A 80 -5.570 2.363 -9.454 1.00 0.00 C ATOM 1262 CG PRO A 80 -6.321 3.257 -10.391 1.00 0.00 C ATOM 1263 CD PRO A 80 -6.518 4.562 -9.645 1.00 0.00 C ATOM 0 HA PRO A 80 -4.503 2.936 -7.614 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -4.972 1.633 -10.000 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -6.251 1.802 -8.814 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -5.763 3.414 -11.314 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -7.279 2.817 -10.669 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -6.458 5.418 -10.317 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -7.495 4.602 -9.164 1.00 0.00 H new ATOM 1271 N ASP A 81 -2.240 2.957 -8.434 1.00 0.00 N ATOM 1272 CA ASP A 81 -0.819 3.010 -8.868 1.00 0.00 C ATOM 1273 C ASP A 81 -0.070 1.732 -8.444 1.00 0.00 C ATOM 1274 O ASP A 81 -0.232 1.242 -7.318 1.00 0.00 O ATOM 1275 CB ASP A 81 -0.098 4.289 -8.332 1.00 0.00 C ATOM 1276 CG ASP A 81 0.366 4.188 -6.860 1.00 0.00 C ATOM 1277 OD1 ASP A 81 -0.489 4.227 -5.954 1.00 0.00 O ATOM 1278 OD2 ASP A 81 1.594 4.078 -6.612 1.00 0.00 O ATOM 0 H ASP A 81 -2.380 2.526 -7.520 1.00 0.00 H new ATOM 0 HA ASP A 81 -0.809 3.066 -9.957 1.00 0.00 H new ATOM 0 HB2 ASP A 81 0.769 4.494 -8.961 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -0.772 5.140 -8.431 1.00 0.00 H new ATOM 1283 N GLU A 82 0.714 1.188 -9.384 1.00 0.00 N ATOM 1284 CA GLU A 82 1.503 -0.039 -9.175 1.00 0.00 C ATOM 1285 C GLU A 82 2.822 0.283 -8.457 1.00 0.00 C ATOM 1286 O GLU A 82 3.744 0.840 -9.058 1.00 0.00 O ATOM 1287 CB GLU A 82 1.773 -0.769 -10.518 1.00 0.00 C ATOM 1288 CG GLU A 82 0.504 -1.236 -11.258 1.00 0.00 C ATOM 1289 CD GLU A 82 0.787 -2.310 -12.321 1.00 0.00 C ATOM 1290 OE1 GLU A 82 0.849 -3.502 -11.960 1.00 0.00 O ATOM 1291 OE2 GLU A 82 0.980 -1.969 -13.506 1.00 0.00 O ATOM 0 H GLU A 82 0.821 1.587 -10.317 1.00 0.00 H new ATOM 0 HA GLU A 82 0.920 -0.709 -8.543 1.00 0.00 H new ATOM 0 HB2 GLU A 82 2.335 -0.103 -11.172 1.00 0.00 H new ATOM 0 HB3 GLU A 82 2.406 -1.636 -10.325 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -0.208 -1.630 -10.533 1.00 0.00 H new ATOM 0 HG3 GLU A 82 0.032 -0.377 -11.735 1.00 0.00 H new ATOM 1298 N VAL A 83 2.881 -0.032 -7.157 1.00 0.00 N ATOM 1299 CA VAL A 83 4.108 0.066 -6.352 1.00 0.00 C ATOM 1300 C VAL A 83 4.943 -1.216 -6.542 1.00 0.00 C ATOM 1301 O VAL A 83 4.390 -2.308 -6.506 1.00 0.00 O ATOM 1302 CB VAL A 83 3.757 0.252 -4.827 1.00 0.00 C ATOM 1303 CG1 VAL A 83 5.026 0.315 -3.943 1.00 0.00 C ATOM 1304 CG2 VAL A 83 2.866 1.497 -4.623 1.00 0.00 C ATOM 0 H VAL A 83 2.074 -0.364 -6.629 1.00 0.00 H new ATOM 0 HA VAL A 83 4.681 0.933 -6.682 1.00 0.00 H new ATOM 0 HB VAL A 83 3.196 -0.626 -4.508 1.00 0.00 H new ATOM 0 HG11 VAL A 83 4.737 0.444 -2.900 1.00 0.00 H new ATOM 0 HG12 VAL A 83 5.591 -0.611 -4.051 1.00 0.00 H new ATOM 0 HG13 VAL A 83 5.645 1.156 -4.254 1.00 0.00 H new ATOM 0 HG21 VAL A 83 2.634 1.609 -3.564 1.00 0.00 H new ATOM 0 HG22 VAL A 83 3.394 2.384 -4.975 1.00 0.00 H new ATOM 0 HG23 VAL A 83 1.940 1.378 -5.186 1.00 0.00 H new ATOM 1314 N THR A 84 6.259 -1.068 -6.758 1.00 0.00 N ATOM 1315 CA THR A 84 7.192 -2.195 -6.855 1.00 0.00 C ATOM 1316 C THR A 84 8.286 -2.055 -5.779 1.00 0.00 C ATOM 1317 O THR A 84 9.073 -1.098 -5.803 1.00 0.00 O ATOM 1318 CB THR A 84 7.846 -2.272 -8.278 1.00 0.00 C ATOM 1319 OG1 THR A 84 6.815 -2.303 -9.279 1.00 0.00 O ATOM 1320 CG2 THR A 84 8.743 -3.515 -8.437 1.00 0.00 C ATOM 0 H THR A 84 6.705 -0.158 -6.870 1.00 0.00 H new ATOM 0 HA THR A 84 6.634 -3.117 -6.692 1.00 0.00 H new ATOM 0 HB THR A 84 8.472 -1.388 -8.400 1.00 0.00 H new ATOM 0 HG1 THR A 84 6.512 -3.226 -9.408 1.00 0.00 H new ATOM 0 HG21 THR A 84 9.175 -3.527 -9.438 1.00 0.00 H new ATOM 0 HG22 THR A 84 9.543 -3.483 -7.697 1.00 0.00 H new ATOM 0 HG23 THR A 84 8.147 -4.415 -8.289 1.00 0.00 H new ATOM 1328 N VAL A 85 8.290 -2.985 -4.818 1.00 0.00 N ATOM 1329 CA VAL A 85 9.351 -3.111 -3.811 1.00 0.00 C ATOM 1330 C VAL A 85 10.276 -4.261 -4.231 1.00 0.00 C ATOM 1331 O VAL A 85 9.843 -5.418 -4.285 1.00 0.00 O ATOM 1332 CB VAL A 85 8.757 -3.393 -2.377 1.00 0.00 C ATOM 1333 CG1 VAL A 85 9.869 -3.592 -1.323 1.00 0.00 C ATOM 1334 CG2 VAL A 85 7.791 -2.262 -1.950 1.00 0.00 C ATOM 0 H VAL A 85 7.549 -3.679 -4.716 1.00 0.00 H new ATOM 0 HA VAL A 85 9.904 -2.173 -3.755 1.00 0.00 H new ATOM 0 HB VAL A 85 8.194 -4.324 -2.436 1.00 0.00 H new ATOM 0 HG11 VAL A 85 9.418 -3.784 -0.350 1.00 0.00 H new ATOM 0 HG12 VAL A 85 10.492 -4.440 -1.607 1.00 0.00 H new ATOM 0 HG13 VAL A 85 10.483 -2.693 -1.268 1.00 0.00 H new ATOM 0 HG21 VAL A 85 7.394 -2.478 -0.958 1.00 0.00 H new ATOM 0 HG22 VAL A 85 8.328 -1.314 -1.927 1.00 0.00 H new ATOM 0 HG23 VAL A 85 6.970 -2.196 -2.663 1.00 0.00 H new ATOM 1344 N ASP A 86 11.538 -3.932 -4.559 1.00 0.00 N ATOM 1345 CA ASP A 86 12.560 -4.935 -4.907 1.00 0.00 C ATOM 1346 C ASP A 86 13.174 -5.514 -3.633 1.00 0.00 C ATOM 1347 O ASP A 86 12.893 -5.063 -2.526 1.00 0.00 O ATOM 1348 CB ASP A 86 13.686 -4.323 -5.786 1.00 0.00 C ATOM 1349 CG ASP A 86 13.236 -3.919 -7.192 1.00 0.00 C ATOM 1350 OD1 ASP A 86 12.400 -3.000 -7.311 1.00 0.00 O ATOM 1351 OD2 ASP A 86 13.717 -4.519 -8.187 1.00 0.00 O ATOM 0 H ASP A 86 11.877 -2.970 -4.590 1.00 0.00 H new ATOM 0 HA ASP A 86 12.070 -5.723 -5.478 1.00 0.00 H new ATOM 0 HB2 ASP A 86 14.090 -3.446 -5.280 1.00 0.00 H new ATOM 0 HB3 ASP A 86 14.498 -5.045 -5.870 1.00 0.00 H new ATOM 1356 N SER A 87 14.032 -6.516 -3.828 1.00 0.00 N ATOM 1357 CA SER A 87 14.850 -7.110 -2.759 1.00 0.00 C ATOM 1358 C SER A 87 15.975 -6.132 -2.311 1.00 0.00 C ATOM 1359 O SER A 87 16.490 -6.229 -1.192 1.00 0.00 O ATOM 1360 CB SER A 87 15.429 -8.445 -3.273 1.00 0.00 C ATOM 1361 OG SER A 87 16.069 -8.292 -4.538 1.00 0.00 O ATOM 0 H SER A 87 14.183 -6.946 -4.741 1.00 0.00 H new ATOM 0 HA SER A 87 14.233 -7.300 -1.881 1.00 0.00 H new ATOM 0 HB2 SER A 87 16.144 -8.834 -2.548 1.00 0.00 H new ATOM 0 HB3 SER A 87 14.629 -9.180 -3.357 1.00 0.00 H new ATOM 0 HG SER A 87 16.425 -9.157 -4.831 1.00 0.00 H new ATOM 1367 N LYS A 88 16.323 -5.182 -3.209 1.00 0.00 N ATOM 1368 CA LYS A 88 17.359 -4.147 -2.967 1.00 0.00 C ATOM 1369 C LYS A 88 16.825 -3.100 -1.970 1.00 0.00 C ATOM 1370 O LYS A 88 17.404 -2.880 -0.894 1.00 0.00 O ATOM 1371 CB LYS A 88 17.798 -3.424 -4.287 1.00 0.00 C ATOM 1372 CG LYS A 88 18.341 -4.320 -5.435 1.00 0.00 C ATOM 1373 CD LYS A 88 17.221 -5.059 -6.204 1.00 0.00 C ATOM 1374 CE LYS A 88 17.713 -5.788 -7.446 1.00 0.00 C ATOM 1375 NZ LYS A 88 18.251 -4.855 -8.457 1.00 0.00 N ATOM 0 H LYS A 88 15.890 -5.110 -4.130 1.00 0.00 H new ATOM 0 HA LYS A 88 18.233 -4.654 -2.558 1.00 0.00 H new ATOM 0 HB2 LYS A 88 16.943 -2.866 -4.668 1.00 0.00 H new ATOM 0 HB3 LYS A 88 18.567 -2.694 -4.034 1.00 0.00 H new ATOM 0 HG2 LYS A 88 18.908 -3.704 -6.133 1.00 0.00 H new ATOM 0 HG3 LYS A 88 19.034 -5.052 -5.021 1.00 0.00 H new ATOM 0 HD2 LYS A 88 16.746 -5.777 -5.536 1.00 0.00 H new ATOM 0 HD3 LYS A 88 16.456 -4.339 -6.495 1.00 0.00 H new ATOM 0 HE2 LYS A 88 18.486 -6.503 -7.165 1.00 0.00 H new ATOM 0 HE3 LYS A 88 16.893 -6.360 -7.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 18.386 -5.358 -9.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 17.583 -4.070 -8.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 19.164 -4.479 -8.131 1.00 0.00 H new ATOM 1389 N ASN A 89 15.683 -2.483 -2.337 1.00 0.00 N ATOM 1390 CA ASN A 89 15.018 -1.416 -1.549 1.00 0.00 C ATOM 1391 C ASN A 89 13.871 -2.004 -0.723 1.00 0.00 C ATOM 1392 O ASN A 89 12.897 -1.300 -0.405 1.00 0.00 O ATOM 1393 CB ASN A 89 14.519 -0.255 -2.470 1.00 0.00 C ATOM 1394 CG ASN A 89 13.466 -0.654 -3.515 1.00 0.00 C ATOM 1395 OD1 ASN A 89 13.442 -1.777 -3.986 1.00 0.00 O ATOM 1396 ND2 ASN A 89 12.603 0.275 -3.889 1.00 0.00 N ATOM 0 H ASN A 89 15.188 -2.712 -3.199 1.00 0.00 H new ATOM 0 HA ASN A 89 15.750 -0.990 -0.863 1.00 0.00 H new ATOM 0 HB2 ASN A 89 14.103 0.533 -1.841 1.00 0.00 H new ATOM 0 HB3 ASN A 89 15.378 0.171 -2.988 1.00 0.00 H new ATOM 0 HD21 ASN A 89 11.893 0.060 -4.589 1.00 0.00 H new ATOM 0 HD22 ASN A 89 12.647 1.207 -3.477 1.00 0.00 H new ATOM 1403 N PHE A 90 14.038 -3.294 -0.340 1.00 0.00 N ATOM 1404 CA PHE A 90 13.055 -4.067 0.436 1.00 0.00 C ATOM 1405 C PHE A 90 12.624 -3.295 1.678 1.00 0.00 C ATOM 1406 O PHE A 90 11.448 -3.058 1.907 1.00 0.00 O ATOM 1407 CB PHE A 90 13.690 -5.432 0.853 1.00 0.00 C ATOM 1408 CG PHE A 90 12.849 -6.268 1.829 1.00 0.00 C ATOM 1409 CD1 PHE A 90 11.605 -6.769 1.452 1.00 0.00 C ATOM 1410 CD2 PHE A 90 13.301 -6.547 3.119 1.00 0.00 C ATOM 1411 CE1 PHE A 90 10.848 -7.515 2.333 1.00 0.00 C ATOM 1412 CE2 PHE A 90 12.537 -7.292 3.997 1.00 0.00 C ATOM 1413 CZ PHE A 90 11.312 -7.772 3.600 1.00 0.00 C ATOM 0 H PHE A 90 14.876 -3.829 -0.569 1.00 0.00 H new ATOM 0 HA PHE A 90 12.174 -4.243 -0.181 1.00 0.00 H new ATOM 0 HB2 PHE A 90 13.869 -6.022 -0.046 1.00 0.00 H new ATOM 0 HB3 PHE A 90 14.662 -5.240 1.307 1.00 0.00 H new ATOM 0 HD1 PHE A 90 11.229 -6.572 0.459 1.00 0.00 H new ATOM 0 HD2 PHE A 90 14.264 -6.175 3.437 1.00 0.00 H new ATOM 0 HE1 PHE A 90 9.887 -7.898 2.025 1.00 0.00 H new ATOM 0 HE2 PHE A 90 12.902 -7.497 4.993 1.00 0.00 H new ATOM 0 HZ PHE A 90 10.713 -8.353 4.286 1.00 0.00 H new ATOM 1423 N LEU A 91 13.633 -2.814 2.374 1.00 0.00 N ATOM 1424 CA LEU A 91 13.560 -2.381 3.757 1.00 0.00 C ATOM 1425 C LEU A 91 13.024 -0.954 3.847 1.00 0.00 C ATOM 1426 O LEU A 91 12.477 -0.547 4.881 1.00 0.00 O ATOM 1427 CB LEU A 91 14.981 -2.501 4.364 1.00 0.00 C ATOM 1428 CG LEU A 91 15.730 -3.853 4.023 1.00 0.00 C ATOM 1429 CD1 LEU A 91 16.496 -3.794 2.684 1.00 0.00 C ATOM 1430 CD2 LEU A 91 16.648 -4.295 5.132 1.00 0.00 C ATOM 0 H LEU A 91 14.566 -2.709 1.976 1.00 0.00 H new ATOM 0 HA LEU A 91 12.869 -3.008 4.321 1.00 0.00 H new ATOM 0 HB2 LEU A 91 15.585 -1.666 4.009 1.00 0.00 H new ATOM 0 HB3 LEU A 91 14.909 -2.404 5.447 1.00 0.00 H new ATOM 0 HG LEU A 91 14.942 -4.599 3.918 1.00 0.00 H new ATOM 0 HD11 LEU A 91 16.989 -4.749 2.504 1.00 0.00 H new ATOM 0 HD12 LEU A 91 15.797 -3.589 1.874 1.00 0.00 H new ATOM 0 HD13 LEU A 91 17.244 -3.002 2.727 1.00 0.00 H new ATOM 0 HD21 LEU A 91 17.138 -5.227 4.849 1.00 0.00 H new ATOM 0 HD22 LEU A 91 17.402 -3.528 5.308 1.00 0.00 H new ATOM 0 HD23 LEU A 91 16.070 -4.451 6.043 1.00 0.00 H new ATOM 1442 N ASP A 92 13.190 -0.201 2.743 1.00 0.00 N ATOM 1443 CA ASP A 92 12.683 1.169 2.620 1.00 0.00 C ATOM 1444 C ASP A 92 11.162 1.119 2.485 1.00 0.00 C ATOM 1445 O ASP A 92 10.635 0.578 1.509 1.00 0.00 O ATOM 1446 CB ASP A 92 13.291 1.875 1.380 1.00 0.00 C ATOM 1447 CG ASP A 92 14.817 1.832 1.373 1.00 0.00 C ATOM 1448 OD1 ASP A 92 15.380 0.832 0.891 1.00 0.00 O ATOM 1449 OD2 ASP A 92 15.462 2.768 1.887 1.00 0.00 O ATOM 0 H ASP A 92 13.681 -0.531 1.912 1.00 0.00 H new ATOM 0 HA ASP A 92 12.967 1.734 3.507 1.00 0.00 H new ATOM 0 HB2 ASP A 92 12.913 1.401 0.474 1.00 0.00 H new ATOM 0 HB3 ASP A 92 12.960 2.913 1.358 1.00 0.00 H new ATOM 1454 N LYS A 93 10.461 1.667 3.482 1.00 0.00 N ATOM 1455 CA LYS A 93 9.008 1.775 3.461 1.00 0.00 C ATOM 1456 C LYS A 93 8.629 3.107 2.785 1.00 0.00 C ATOM 1457 O LYS A 93 8.838 4.202 3.329 1.00 0.00 O ATOM 1458 CB LYS A 93 8.425 1.633 4.896 1.00 0.00 C ATOM 1459 CG LYS A 93 8.892 2.687 5.921 1.00 0.00 C ATOM 1460 CD LYS A 93 8.325 2.440 7.337 1.00 0.00 C ATOM 1461 CE LYS A 93 8.651 3.581 8.306 1.00 0.00 C ATOM 1462 NZ LYS A 93 8.105 3.319 9.664 1.00 0.00 N ATOM 0 H LYS A 93 10.890 2.047 4.326 1.00 0.00 H new ATOM 0 HA LYS A 93 8.570 0.962 2.881 1.00 0.00 H new ATOM 0 HB2 LYS A 93 7.338 1.674 4.831 1.00 0.00 H new ATOM 0 HB3 LYS A 93 8.684 0.645 5.276 1.00 0.00 H new ATOM 0 HG2 LYS A 93 9.981 2.686 5.966 1.00 0.00 H new ATOM 0 HG3 LYS A 93 8.588 3.677 5.581 1.00 0.00 H new ATOM 0 HD2 LYS A 93 7.244 2.317 7.276 1.00 0.00 H new ATOM 0 HD3 LYS A 93 8.730 1.507 7.730 1.00 0.00 H new ATOM 0 HE2 LYS A 93 9.732 3.710 8.366 1.00 0.00 H new ATOM 0 HE3 LYS A 93 8.239 4.514 7.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 8.345 4.112 10.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 7.071 3.220 9.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 8.517 2.441 10.040 1.00 0.00 H new ATOM 1476 N GLN A 94 8.126 3.000 1.560 1.00 0.00 N ATOM 1477 CA GLN A 94 7.716 4.161 0.742 1.00 0.00 C ATOM 1478 C GLN A 94 6.228 4.490 0.990 1.00 0.00 C ATOM 1479 O GLN A 94 5.450 4.742 0.060 1.00 0.00 O ATOM 1480 CB GLN A 94 8.035 3.895 -0.762 1.00 0.00 C ATOM 1481 CG GLN A 94 7.420 2.614 -1.361 1.00 0.00 C ATOM 1482 CD GLN A 94 7.703 2.466 -2.858 1.00 0.00 C ATOM 1483 OE1 GLN A 94 6.950 2.969 -3.696 1.00 0.00 O ATOM 1484 NE2 GLN A 94 8.778 1.771 -3.205 1.00 0.00 N ATOM 0 H GLN A 94 7.986 2.104 1.094 1.00 0.00 H new ATOM 0 HA GLN A 94 8.287 5.041 1.038 1.00 0.00 H new ATOM 0 HB2 GLN A 94 7.688 4.749 -1.344 1.00 0.00 H new ATOM 0 HB3 GLN A 94 9.117 3.846 -0.881 1.00 0.00 H new ATOM 0 HG2 GLN A 94 7.815 1.746 -0.833 1.00 0.00 H new ATOM 0 HG3 GLN A 94 6.342 2.623 -1.198 1.00 0.00 H new ATOM 0 HE21 GLN A 94 9.379 1.369 -2.486 1.00 0.00 H new ATOM 0 HE22 GLN A 94 9.004 1.639 -4.191 1.00 0.00 H new ATOM 1493 N ASN A 95 5.863 4.515 2.293 1.00 0.00 N ATOM 1494 CA ASN A 95 4.517 4.867 2.772 1.00 0.00 C ATOM 1495 C ASN A 95 4.167 6.318 2.397 1.00 0.00 C ATOM 1496 O ASN A 95 5.063 7.145 2.188 1.00 0.00 O ATOM 1497 CB ASN A 95 4.430 4.672 4.308 1.00 0.00 C ATOM 1498 CG ASN A 95 5.376 5.574 5.102 1.00 0.00 C ATOM 1499 OD1 ASN A 95 6.515 5.205 5.392 1.00 0.00 O ATOM 1500 ND2 ASN A 95 4.905 6.762 5.449 1.00 0.00 N ATOM 0 H ASN A 95 6.510 4.287 3.048 1.00 0.00 H new ATOM 0 HA ASN A 95 3.796 4.207 2.291 1.00 0.00 H new ATOM 0 HB2 ASN A 95 3.406 4.862 4.631 1.00 0.00 H new ATOM 0 HB3 ASN A 95 4.651 3.631 4.545 1.00 0.00 H new ATOM 0 HD21 ASN A 95 5.492 7.409 5.976 1.00 0.00 H new ATOM 0 HD22 ASN A 95 3.956 7.030 5.189 1.00 0.00 H new ATOM 1507 N ARG A 96 2.871 6.628 2.347 1.00 0.00 N ATOM 1508 CA ARG A 96 2.386 7.922 1.844 1.00 0.00 C ATOM 1509 C ARG A 96 0.999 8.221 2.406 1.00 0.00 C ATOM 1510 O ARG A 96 0.226 7.315 2.642 1.00 0.00 O ATOM 1511 CB ARG A 96 2.346 7.886 0.296 1.00 0.00 C ATOM 1512 CG ARG A 96 2.027 9.239 -0.381 1.00 0.00 C ATOM 1513 CD ARG A 96 2.048 9.146 -1.913 1.00 0.00 C ATOM 1514 NE ARG A 96 1.776 10.442 -2.562 1.00 0.00 N ATOM 1515 CZ ARG A 96 1.732 10.647 -3.892 1.00 0.00 C ATOM 1516 NH1 ARG A 96 1.926 9.647 -4.747 1.00 0.00 N ATOM 1517 NH2 ARG A 96 1.486 11.861 -4.352 1.00 0.00 N ATOM 0 H ARG A 96 2.129 5.997 2.651 1.00 0.00 H new ATOM 0 HA ARG A 96 3.063 8.713 2.167 1.00 0.00 H new ATOM 0 HB2 ARG A 96 3.310 7.532 -0.069 1.00 0.00 H new ATOM 0 HB3 ARG A 96 1.600 7.156 -0.016 1.00 0.00 H new ATOM 0 HG2 ARG A 96 1.046 9.583 -0.054 1.00 0.00 H new ATOM 0 HG3 ARG A 96 2.752 9.985 -0.055 1.00 0.00 H new ATOM 0 HD2 ARG A 96 3.021 8.778 -2.238 1.00 0.00 H new ATOM 0 HD3 ARG A 96 1.306 8.417 -2.240 1.00 0.00 H new ATOM 0 HE ARG A 96 1.608 11.245 -1.956 1.00 0.00 H new ATOM 0 HH11 ARG A 96 2.112 8.707 -4.398 1.00 0.00 H new ATOM 0 HH12 ARG A 96 1.889 9.820 -5.751 1.00 0.00 H new ATOM 0 HH21 ARG A 96 1.332 12.631 -3.701 1.00 0.00 H new ATOM 0 HH22 ARG A 96 1.450 12.028 -5.358 1.00 0.00 H new ATOM 1531 N GLU A 97 0.695 9.494 2.633 1.00 0.00 N ATOM 1532 CA GLU A 97 -0.646 9.931 3.045 1.00 0.00 C ATOM 1533 C GLU A 97 -1.437 10.388 1.805 1.00 0.00 C ATOM 1534 O GLU A 97 -0.853 10.928 0.860 1.00 0.00 O ATOM 1535 CB GLU A 97 -0.519 11.075 4.084 1.00 0.00 C ATOM 1536 CG GLU A 97 -1.861 11.582 4.644 1.00 0.00 C ATOM 1537 CD GLU A 97 -1.700 12.692 5.687 1.00 0.00 C ATOM 1538 OE1 GLU A 97 -1.505 12.377 6.879 1.00 0.00 O ATOM 1539 OE2 GLU A 97 -1.765 13.890 5.324 1.00 0.00 O ATOM 0 H GLU A 97 1.366 10.256 2.538 1.00 0.00 H new ATOM 0 HA GLU A 97 -1.185 9.105 3.510 1.00 0.00 H new ATOM 0 HB2 GLU A 97 0.098 10.729 4.913 1.00 0.00 H new ATOM 0 HB3 GLU A 97 0.007 11.911 3.623 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -2.474 11.951 3.822 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -2.399 10.747 5.092 1.00 0.00 H new ATOM 1546 N GLU A 98 -2.752 10.130 1.799 1.00 0.00 N ATOM 1547 CA GLU A 98 -3.676 10.629 0.777 1.00 0.00 C ATOM 1548 C GLU A 98 -4.952 11.138 1.469 1.00 0.00 C ATOM 1549 O GLU A 98 -5.747 10.351 1.975 1.00 0.00 O ATOM 1550 CB GLU A 98 -3.995 9.499 -0.248 1.00 0.00 C ATOM 1551 CG GLU A 98 -5.010 9.876 -1.350 1.00 0.00 C ATOM 1552 CD GLU A 98 -4.603 11.117 -2.160 1.00 0.00 C ATOM 1553 OE1 GLU A 98 -3.817 10.986 -3.123 1.00 0.00 O ATOM 1554 OE2 GLU A 98 -5.065 12.238 -1.834 1.00 0.00 O ATOM 0 H GLU A 98 -3.207 9.562 2.513 1.00 0.00 H new ATOM 0 HA GLU A 98 -3.223 11.454 0.227 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -3.065 9.189 -0.724 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -4.378 8.635 0.296 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -5.128 9.031 -2.029 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -5.983 10.054 -0.891 1.00 0.00 H new ATOM 1561 N THR A 99 -5.140 12.460 1.494 1.00 0.00 N ATOM 1562 CA THR A 99 -6.328 13.093 2.080 1.00 0.00 C ATOM 1563 C THR A 99 -7.305 13.486 0.965 1.00 0.00 C ATOM 1564 O THR A 99 -6.934 14.231 0.053 1.00 0.00 O ATOM 1565 CB THR A 99 -5.920 14.346 2.925 1.00 0.00 C ATOM 1566 OG1 THR A 99 -4.989 13.942 3.935 1.00 0.00 O ATOM 1567 CG2 THR A 99 -7.129 15.029 3.596 1.00 0.00 C ATOM 0 H THR A 99 -4.471 13.125 1.107 1.00 0.00 H new ATOM 0 HA THR A 99 -6.819 12.383 2.745 1.00 0.00 H new ATOM 0 HB THR A 99 -5.473 15.071 2.244 1.00 0.00 H new ATOM 0 HG1 THR A 99 -4.726 14.721 4.468 1.00 0.00 H new ATOM 0 HG21 THR A 99 -6.788 15.891 4.169 1.00 0.00 H new ATOM 0 HG22 THR A 99 -7.833 15.357 2.831 1.00 0.00 H new ATOM 0 HG23 THR A 99 -7.622 14.322 4.263 1.00 0.00 H new ATOM 1575 N VAL A 100 -8.546 12.976 1.035 1.00 0.00 N ATOM 1576 CA VAL A 100 -9.617 13.327 0.095 1.00 0.00 C ATOM 1577 C VAL A 100 -10.396 14.541 0.661 1.00 0.00 C ATOM 1578 O VAL A 100 -10.569 14.655 1.891 1.00 0.00 O ATOM 1579 CB VAL A 100 -10.586 12.101 -0.188 1.00 0.00 C ATOM 1580 CG1 VAL A 100 -9.803 10.772 -0.368 1.00 0.00 C ATOM 1581 CG2 VAL A 100 -11.670 11.959 0.895 1.00 0.00 C ATOM 0 H VAL A 100 -8.833 12.306 1.749 1.00 0.00 H new ATOM 0 HA VAL A 100 -9.173 13.591 -0.865 1.00 0.00 H new ATOM 0 HB VAL A 100 -11.090 12.317 -1.130 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -10.504 9.960 -0.560 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -9.117 10.865 -1.210 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -9.238 10.557 0.539 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -12.309 11.108 0.660 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -11.197 11.801 1.864 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -12.272 12.867 0.928 1.00 0.00 H new ATOM 1591 N ILE A 101 -10.831 15.462 -0.221 1.00 0.00 N ATOM 1592 CA ILE A 101 -11.525 16.704 0.201 1.00 0.00 C ATOM 1593 C ILE A 101 -12.976 16.709 -0.311 1.00 0.00 C ATOM 1594 O ILE A 101 -13.223 16.883 -1.512 1.00 0.00 O ATOM 1595 CB ILE A 101 -10.748 17.990 -0.289 1.00 0.00 C ATOM 1596 CG1 ILE A 101 -9.294 18.032 0.305 1.00 0.00 C ATOM 1597 CG2 ILE A 101 -11.521 19.280 0.062 1.00 0.00 C ATOM 1598 CD1 ILE A 101 -9.214 18.018 1.829 1.00 0.00 C ATOM 0 H ILE A 101 -10.716 15.373 -1.231 1.00 0.00 H new ATOM 0 HA ILE A 101 -11.544 16.727 1.291 1.00 0.00 H new ATOM 0 HB ILE A 101 -10.669 17.933 -1.375 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -8.737 17.178 -0.080 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -8.795 18.929 -0.061 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -10.960 20.147 -0.288 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -12.498 19.261 -0.420 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -11.650 19.344 1.142 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -8.169 18.049 2.139 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -9.737 18.887 2.229 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -9.678 17.108 2.209 1.00 0.00 H new ATOM 1610 N TYR A 102 -13.919 16.482 0.620 1.00 0.00 N ATOM 1611 CA TYR A 102 -15.364 16.538 0.377 1.00 0.00 C ATOM 1612 C TYR A 102 -15.799 17.985 0.207 1.00 0.00 C ATOM 1613 O TYR A 102 -15.876 18.740 1.176 1.00 0.00 O ATOM 1614 CB TYR A 102 -16.147 15.877 1.537 1.00 0.00 C ATOM 1615 CG TYR A 102 -15.982 14.364 1.596 1.00 0.00 C ATOM 1616 CD1 TYR A 102 -16.801 13.530 0.838 1.00 0.00 C ATOM 1617 CD2 TYR A 102 -15.002 13.771 2.390 1.00 0.00 C ATOM 1618 CE1 TYR A 102 -16.647 12.165 0.871 1.00 0.00 C ATOM 1619 CE2 TYR A 102 -14.853 12.409 2.425 1.00 0.00 C ATOM 1620 CZ TYR A 102 -15.673 11.614 1.665 1.00 0.00 C ATOM 1621 OH TYR A 102 -15.510 10.264 1.696 1.00 0.00 O ATOM 0 H TYR A 102 -13.687 16.249 1.586 1.00 0.00 H new ATOM 0 HA TYR A 102 -15.584 15.985 -0.536 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -15.815 16.308 2.481 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -17.205 16.115 1.433 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -17.569 13.963 0.215 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -14.351 14.393 2.986 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -17.288 11.531 0.276 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -14.093 11.963 3.049 1.00 0.00 H new ATOM 0 HH TYR A 102 -16.383 9.827 1.610 1.00 0.00 H new ATOM 1631 N SER A 103 -16.117 18.353 -1.023 1.00 0.00 N ATOM 1632 CA SER A 103 -16.443 19.719 -1.395 1.00 0.00 C ATOM 1633 C SER A 103 -17.951 19.788 -1.676 1.00 0.00 C ATOM 1634 O SER A 103 -18.519 18.833 -2.231 1.00 0.00 O ATOM 1635 CB SER A 103 -15.587 20.134 -2.618 1.00 0.00 C ATOM 1636 OG SER A 103 -15.506 19.090 -3.571 1.00 0.00 O ATOM 0 H SER A 103 -16.156 17.699 -1.805 1.00 0.00 H new ATOM 0 HA SER A 103 -16.213 20.421 -0.594 1.00 0.00 H new ATOM 0 HB2 SER A 103 -16.020 21.020 -3.083 1.00 0.00 H new ATOM 0 HB3 SER A 103 -14.584 20.405 -2.287 1.00 0.00 H new ATOM 0 HG SER A 103 -14.961 19.383 -4.331 1.00 0.00 H new ATOM 1642 N ALA A 104 -18.592 20.890 -1.239 1.00 0.00 N ATOM 1643 CA ALA A 104 -20.042 21.122 -1.394 1.00 0.00 C ATOM 1644 C ALA A 104 -20.451 21.059 -2.883 1.00 0.00 C ATOM 1645 O ALA A 104 -20.245 22.015 -3.644 1.00 0.00 O ATOM 1646 CB ALA A 104 -20.432 22.468 -0.757 1.00 0.00 C ATOM 0 H ALA A 104 -18.112 21.653 -0.763 1.00 0.00 H new ATOM 0 HA ALA A 104 -20.584 20.332 -0.875 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -21.503 22.630 -0.876 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -20.183 22.454 0.304 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -19.886 23.274 -1.247 1.00 0.00 H new ATOM 1652 N ASN A 105 -21.015 19.900 -3.275 1.00 0.00 N ATOM 1653 CA ASN A 105 -21.317 19.568 -4.679 1.00 0.00 C ATOM 1654 C ASN A 105 -22.582 20.292 -5.184 1.00 0.00 C ATOM 1655 O ASN A 105 -23.165 21.112 -4.472 1.00 0.00 O ATOM 1656 CB ASN A 105 -21.467 18.025 -4.841 1.00 0.00 C ATOM 1657 CG ASN A 105 -22.557 17.393 -3.955 1.00 0.00 C ATOM 1658 OD1 ASN A 105 -23.495 18.048 -3.508 1.00 0.00 O ATOM 1659 ND2 ASN A 105 -22.471 16.096 -3.743 1.00 0.00 N ATOM 0 H ASN A 105 -21.275 19.163 -2.620 1.00 0.00 H new ATOM 0 HA ASN A 105 -20.483 19.914 -5.290 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -21.690 17.802 -5.884 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -20.511 17.554 -4.611 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -23.191 15.619 -3.200 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -21.685 15.568 -4.122 1.00 0.00 H new ATOM 1666 N THR A 106 -23.008 19.960 -6.412 1.00 0.00 N ATOM 1667 CA THR A 106 -24.193 20.572 -7.042 1.00 0.00 C ATOM 1668 C THR A 106 -25.513 20.129 -6.362 1.00 0.00 C ATOM 1669 O THR A 106 -26.533 20.805 -6.505 1.00 0.00 O ATOM 1670 CB THR A 106 -24.252 20.257 -8.576 1.00 0.00 C ATOM 1671 OG1 THR A 106 -25.258 21.067 -9.208 1.00 0.00 O ATOM 1672 CG2 THR A 106 -24.542 18.773 -8.864 1.00 0.00 C ATOM 0 H THR A 106 -22.545 19.263 -6.996 1.00 0.00 H new ATOM 0 HA THR A 106 -24.090 21.649 -6.907 1.00 0.00 H new ATOM 0 HB THR A 106 -23.268 20.488 -8.984 1.00 0.00 H new ATOM 0 HG1 THR A 106 -25.287 20.864 -10.166 1.00 0.00 H new ATOM 0 HG21 THR A 106 -24.572 18.611 -9.941 1.00 0.00 H new ATOM 0 HG22 THR A 106 -23.757 18.157 -8.426 1.00 0.00 H new ATOM 0 HG23 THR A 106 -25.503 18.499 -8.429 1.00 0.00 H new ATOM 1680 N ILE A 107 -25.480 19.003 -5.613 1.00 0.00 N ATOM 1681 CA ILE A 107 -26.671 18.446 -4.931 1.00 0.00 C ATOM 1682 C ILE A 107 -27.127 19.375 -3.793 1.00 0.00 C ATOM 1683 O ILE A 107 -28.312 19.710 -3.689 1.00 0.00 O ATOM 1684 CB ILE A 107 -26.396 17.009 -4.351 1.00 0.00 C ATOM 1685 CG1 ILE A 107 -25.827 16.064 -5.454 1.00 0.00 C ATOM 1686 CG2 ILE A 107 -27.678 16.409 -3.709 1.00 0.00 C ATOM 1687 CD1 ILE A 107 -25.332 14.728 -4.937 1.00 0.00 C ATOM 0 H ILE A 107 -24.631 18.457 -5.465 1.00 0.00 H new ATOM 0 HA ILE A 107 -27.459 18.369 -5.680 1.00 0.00 H new ATOM 0 HB ILE A 107 -25.645 17.102 -3.567 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -26.602 15.887 -6.200 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -25.006 16.571 -5.962 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -27.458 15.416 -3.317 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -28.014 17.054 -2.897 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -28.462 16.336 -4.462 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -24.954 14.134 -5.769 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -24.533 14.891 -4.214 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -26.153 14.197 -4.456 1.00 0.00 H new ATOM 1699 N THR A 108 -26.164 19.807 -2.960 1.00 0.00 N ATOM 1700 CA THR A 108 -26.437 20.737 -1.842 1.00 0.00 C ATOM 1701 C THR A 108 -26.756 22.161 -2.363 1.00 0.00 C ATOM 1702 O THR A 108 -27.212 23.027 -1.614 1.00 0.00 O ATOM 1703 CB THR A 108 -25.253 20.782 -0.825 1.00 0.00 C ATOM 1704 OG1 THR A 108 -25.605 21.555 0.332 1.00 0.00 O ATOM 1705 CG2 THR A 108 -23.974 21.351 -1.445 1.00 0.00 C ATOM 0 H THR A 108 -25.186 19.528 -3.038 1.00 0.00 H new ATOM 0 HA THR A 108 -27.314 20.357 -1.318 1.00 0.00 H new ATOM 0 HB THR A 108 -25.056 19.751 -0.532 1.00 0.00 H new ATOM 0 HG1 THR A 108 -26.201 22.286 0.068 1.00 0.00 H new ATOM 0 HG21 THR A 108 -23.181 21.361 -0.698 1.00 0.00 H new ATOM 0 HG22 THR A 108 -23.671 20.730 -2.288 1.00 0.00 H new ATOM 0 HG23 THR A 108 -24.159 22.368 -1.792 1.00 0.00 H new ATOM 1713 N GLN A 109 -26.521 22.375 -3.670 1.00 0.00 N ATOM 1714 CA GLN A 109 -26.880 23.615 -4.379 1.00 0.00 C ATOM 1715 C GLN A 109 -28.202 23.413 -5.148 1.00 0.00 C ATOM 1716 O GLN A 109 -28.788 22.326 -5.109 1.00 0.00 O ATOM 1717 CB GLN A 109 -25.733 24.000 -5.349 1.00 0.00 C ATOM 1718 CG GLN A 109 -24.346 24.072 -4.673 1.00 0.00 C ATOM 1719 CD GLN A 109 -23.190 24.305 -5.651 1.00 0.00 C ATOM 1720 OE1 GLN A 109 -23.334 24.992 -6.657 1.00 0.00 O ATOM 1721 NE2 GLN A 109 -22.045 23.704 -5.376 1.00 0.00 N ATOM 0 H GLN A 109 -26.071 21.683 -4.270 1.00 0.00 H new ATOM 0 HA GLN A 109 -27.021 24.424 -3.662 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -25.695 23.272 -6.160 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -25.959 24.967 -5.799 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -24.353 24.875 -3.936 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -24.168 23.143 -4.131 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -21.956 23.139 -4.531 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -21.251 23.805 -6.008 1.00 0.00 H new ATOM 1730 N ASN A 110 -28.677 24.493 -5.806 1.00 0.00 N ATOM 1731 CA ASN A 110 -29.851 24.478 -6.737 1.00 0.00 C ATOM 1732 C ASN A 110 -31.200 24.191 -6.037 1.00 0.00 C ATOM 1733 O ASN A 110 -32.229 24.085 -6.727 1.00 0.00 O ATOM 1734 CB ASN A 110 -29.652 23.453 -7.888 1.00 0.00 C ATOM 1735 CG ASN A 110 -28.382 23.671 -8.705 1.00 0.00 C ATOM 1736 OD1 ASN A 110 -28.371 24.439 -9.661 1.00 0.00 O ATOM 1737 ND2 ASN A 110 -27.315 22.970 -8.349 1.00 0.00 N ATOM 0 H ASN A 110 -28.257 25.418 -5.711 1.00 0.00 H new ATOM 0 HA ASN A 110 -29.899 25.489 -7.141 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -29.631 22.448 -7.466 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -30.513 23.501 -8.555 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -26.447 23.060 -8.876 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -27.362 22.341 -7.548 1.00 0.00 H new ATOM 1744 N LYS A 111 -31.179 24.083 -4.687 1.00 0.00 N ATOM 1745 CA LYS A 111 -32.334 23.662 -3.851 1.00 0.00 C ATOM 1746 C LYS A 111 -32.730 22.186 -4.109 1.00 0.00 C ATOM 1747 O LYS A 111 -32.212 21.531 -5.022 1.00 0.00 O ATOM 1748 CB LYS A 111 -33.558 24.594 -4.040 1.00 0.00 C ATOM 1749 CG LYS A 111 -33.363 26.047 -3.555 1.00 0.00 C ATOM 1750 CD LYS A 111 -34.520 26.979 -3.990 1.00 0.00 C ATOM 1751 CE LYS A 111 -35.888 26.502 -3.483 1.00 0.00 C ATOM 1752 NZ LYS A 111 -36.993 27.389 -3.925 1.00 0.00 N ATOM 0 H LYS A 111 -30.345 24.289 -4.137 1.00 0.00 H new ATOM 0 HA LYS A 111 -32.007 23.745 -2.814 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -33.819 24.614 -5.098 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -34.407 24.163 -3.510 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -33.283 26.056 -2.468 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -32.422 26.434 -3.947 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -34.330 27.986 -3.617 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -34.542 27.041 -5.078 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -36.073 25.489 -3.841 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -35.874 26.458 -2.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -37.902 26.900 -3.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -36.988 28.260 -3.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -36.865 27.630 -4.929 1.00 0.00 H new ATOM 1766 N LYS A 112 -33.634 21.665 -3.265 1.00 0.00 N ATOM 1767 CA LYS A 112 -34.215 20.313 -3.432 1.00 0.00 C ATOM 1768 C LYS A 112 -35.594 20.405 -4.108 1.00 0.00 C ATOM 1769 O LYS A 112 -35.895 19.645 -5.034 1.00 0.00 O ATOM 1770 CB LYS A 112 -34.294 19.578 -2.060 1.00 0.00 C ATOM 1771 CG LYS A 112 -35.110 20.294 -0.958 1.00 0.00 C ATOM 1772 CD LYS A 112 -35.113 19.549 0.390 1.00 0.00 C ATOM 1773 CE LYS A 112 -35.948 20.281 1.455 1.00 0.00 C ATOM 1774 NZ LYS A 112 -35.907 19.608 2.780 1.00 0.00 N ATOM 0 H LYS A 112 -33.986 22.163 -2.448 1.00 0.00 H new ATOM 0 HA LYS A 112 -33.565 19.726 -4.081 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -34.727 18.591 -2.223 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -33.279 19.425 -1.693 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -34.704 21.295 -0.810 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -36.138 20.414 -1.299 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -35.510 18.544 0.247 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -34.088 19.440 0.745 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -35.581 21.302 1.559 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -36.982 20.347 1.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -36.486 20.143 3.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -36.282 18.642 2.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -34.925 19.568 3.119 1.00 0.00 H new ATOM 1788 N ASP A 113 -36.405 21.367 -3.637 1.00 0.00 N ATOM 1789 CA ASP A 113 -37.765 21.604 -4.139 1.00 0.00 C ATOM 1790 C ASP A 113 -37.716 22.392 -5.448 1.00 0.00 C ATOM 1791 O ASP A 113 -37.557 23.620 -5.442 1.00 0.00 O ATOM 1792 CB ASP A 113 -38.617 22.347 -3.092 1.00 0.00 C ATOM 1793 CG ASP A 113 -38.737 21.574 -1.775 1.00 0.00 C ATOM 1794 OD1 ASP A 113 -39.442 20.549 -1.743 1.00 0.00 O ATOM 1795 OD2 ASP A 113 -38.109 21.972 -0.769 1.00 0.00 O ATOM 0 H ASP A 113 -36.131 22.006 -2.891 1.00 0.00 H new ATOM 0 HA ASP A 113 -38.233 20.638 -4.330 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -38.175 23.324 -2.897 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -39.613 22.523 -3.498 1.00 0.00 H new ATOM 1800 N GLY A 114 -37.817 21.654 -6.565 1.00 0.00 N ATOM 1801 CA GLY A 114 -37.797 22.236 -7.916 1.00 0.00 C ATOM 1802 C GLY A 114 -39.173 22.692 -8.403 1.00 0.00 C ATOM 1803 O GLY A 114 -39.318 23.111 -9.559 1.00 0.00 O ATOM 0 H GLY A 114 -37.915 20.639 -6.557 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -37.116 23.087 -7.927 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -37.398 21.500 -8.614 1.00 0.00 H new ATOM 1807 N LEU A 115 -40.179 22.602 -7.511 1.00 0.00 N ATOM 1808 CA LEU A 115 -41.576 22.989 -7.799 1.00 0.00 C ATOM 1809 C LEU A 115 -41.683 24.505 -8.058 1.00 0.00 C ATOM 1810 O LEU A 115 -42.527 24.953 -8.842 1.00 0.00 O ATOM 1811 CB LEU A 115 -42.497 22.566 -6.622 1.00 0.00 C ATOM 1812 CG LEU A 115 -42.525 21.035 -6.291 1.00 0.00 C ATOM 1813 CD1 LEU A 115 -43.426 20.735 -5.064 1.00 0.00 C ATOM 1814 CD2 LEU A 115 -42.943 20.193 -7.527 1.00 0.00 C ATOM 0 H LEU A 115 -40.044 22.255 -6.561 1.00 0.00 H new ATOM 0 HA LEU A 115 -41.901 22.472 -8.702 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -42.183 23.105 -5.728 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -43.514 22.888 -6.848 1.00 0.00 H new ATOM 0 HG LEU A 115 -41.509 20.740 -6.027 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -43.422 19.664 -4.863 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -43.045 21.269 -4.194 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -44.445 21.061 -5.272 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -42.952 19.136 -7.261 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -43.939 20.494 -7.852 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -42.232 20.358 -8.337 1.00 0.00 H new ATOM 1826 N GLU A 116 -40.802 25.273 -7.399 1.00 0.00 N ATOM 1827 CA GLU A 116 -40.699 26.727 -7.574 1.00 0.00 C ATOM 1828 C GLU A 116 -39.908 27.036 -8.853 1.00 0.00 C ATOM 1829 O GLU A 116 -38.917 26.355 -9.143 1.00 0.00 O ATOM 1830 CB GLU A 116 -40.014 27.405 -6.355 1.00 0.00 C ATOM 1831 CG GLU A 116 -40.712 27.174 -4.996 1.00 0.00 C ATOM 1832 CD GLU A 116 -40.338 25.834 -4.322 1.00 0.00 C ATOM 1833 OE1 GLU A 116 -40.998 24.809 -4.589 1.00 0.00 O ATOM 1834 OE2 GLU A 116 -39.380 25.812 -3.521 1.00 0.00 O ATOM 0 H GLU A 116 -40.136 24.897 -6.724 1.00 0.00 H new ATOM 0 HA GLU A 116 -41.709 27.129 -7.654 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -38.989 27.041 -6.285 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -39.959 28.478 -6.540 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -40.456 27.992 -4.323 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -41.792 27.207 -5.142 1.00 0.00 H new ATOM 1841 N HIS A 117 -40.348 28.069 -9.607 1.00 0.00 N ATOM 1842 CA HIS A 117 -39.673 28.510 -10.849 1.00 0.00 C ATOM 1843 C HIS A 117 -38.301 29.118 -10.531 1.00 0.00 C ATOM 1844 O HIS A 117 -38.043 29.512 -9.390 1.00 0.00 O ATOM 1845 CB HIS A 117 -40.546 29.523 -11.641 1.00 0.00 C ATOM 1846 CG HIS A 117 -41.814 28.936 -12.211 1.00 0.00 C ATOM 1847 ND1 HIS A 117 -41.832 28.131 -13.328 1.00 0.00 N ATOM 1848 CD2 HIS A 117 -43.101 29.039 -11.812 1.00 0.00 C ATOM 1849 CE1 HIS A 117 -43.073 27.766 -13.587 1.00 0.00 C ATOM 1850 NE2 HIS A 117 -43.861 28.301 -12.685 1.00 0.00 N ATOM 0 H HIS A 117 -41.176 28.617 -9.374 1.00 0.00 H new ATOM 0 HA HIS A 117 -39.529 27.631 -11.477 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -40.807 30.352 -10.983 1.00 0.00 H new ATOM 0 HB3 HIS A 117 -39.952 29.937 -12.456 1.00 0.00 H new ATOM 0 HD2 HIS A 117 -43.465 29.599 -10.963 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -43.387 27.133 -14.404 1.00 0.00 H new ATOM 0 HE2 HIS A 117 -44.874 28.187 -12.640 1.00 0.00 H new ATOM 1859 N HIS A 118 -37.439 29.185 -11.563 1.00 0.00 N ATOM 1860 CA HIS A 118 -36.039 29.647 -11.455 1.00 0.00 C ATOM 1861 C HIS A 118 -35.225 28.657 -10.598 1.00 0.00 C ATOM 1862 O HIS A 118 -35.183 28.768 -9.374 1.00 0.00 O ATOM 1863 CB HIS A 118 -35.931 31.099 -10.909 1.00 0.00 C ATOM 1864 CG HIS A 118 -36.655 32.121 -11.744 1.00 0.00 C ATOM 1865 ND1 HIS A 118 -37.894 32.617 -11.410 1.00 0.00 N ATOM 1866 CD2 HIS A 118 -36.306 32.742 -12.895 1.00 0.00 C ATOM 1867 CE1 HIS A 118 -38.276 33.492 -12.316 1.00 0.00 C ATOM 1868 NE2 HIS A 118 -37.332 33.586 -13.227 1.00 0.00 N ATOM 0 H HIS A 118 -37.699 28.915 -12.512 1.00 0.00 H new ATOM 0 HA HIS A 118 -35.618 29.672 -12.460 1.00 0.00 H new ATOM 0 HB2 HIS A 118 -36.329 31.126 -9.895 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -34.879 31.376 -10.846 1.00 0.00 H new ATOM 0 HD2 HIS A 118 -35.390 32.599 -13.448 1.00 0.00 H new ATOM 0 HE1 HIS A 118 -39.207 34.040 -12.312 1.00 0.00 H new ATOM 0 HE2 HIS A 118 -37.360 34.190 -14.048 1.00 0.00 H new ATOM 1877 N HIS A 119 -34.613 27.670 -11.264 1.00 0.00 N ATOM 1878 CA HIS A 119 -33.886 26.567 -10.607 1.00 0.00 C ATOM 1879 C HIS A 119 -33.102 25.742 -11.639 1.00 0.00 C ATOM 1880 O HIS A 119 -31.970 25.315 -11.361 1.00 0.00 O ATOM 1881 CB HIS A 119 -34.851 25.644 -9.800 1.00 0.00 C ATOM 1882 CG HIS A 119 -35.943 24.985 -10.609 1.00 0.00 C ATOM 1883 ND1 HIS A 119 -36.996 25.689 -11.145 1.00 0.00 N ATOM 1884 CD2 HIS A 119 -36.125 23.697 -10.994 1.00 0.00 C ATOM 1885 CE1 HIS A 119 -37.773 24.871 -11.827 1.00 0.00 C ATOM 1886 NE2 HIS A 119 -37.268 23.660 -11.752 1.00 0.00 N ATOM 0 H HIS A 119 -34.606 27.610 -12.282 1.00 0.00 H new ATOM 0 HA HIS A 119 -33.182 27.013 -9.904 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -34.262 24.866 -9.315 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -35.314 26.234 -9.009 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -35.490 22.858 -10.750 1.00 0.00 H new ATOM 0 HE1 HIS A 119 -38.672 25.149 -12.357 1.00 0.00 H new ATOM 0 HE2 HIS A 119 -37.663 22.826 -12.187 1.00 0.00 H new ATOM 1895 N HIS A 120 -33.733 25.510 -12.821 1.00 0.00 N ATOM 1896 CA HIS A 120 -33.174 24.689 -13.919 1.00 0.00 C ATOM 1897 C HIS A 120 -32.952 23.217 -13.491 1.00 0.00 C ATOM 1898 O HIS A 120 -33.395 22.801 -12.417 1.00 0.00 O ATOM 1899 CB HIS A 120 -31.882 25.344 -14.503 1.00 0.00 C ATOM 1900 CG HIS A 120 -32.157 26.555 -15.359 1.00 0.00 C ATOM 1901 ND1 HIS A 120 -31.909 27.846 -14.954 1.00 0.00 N ATOM 1902 CD2 HIS A 120 -32.625 26.651 -16.626 1.00 0.00 C ATOM 1903 CE1 HIS A 120 -32.226 28.678 -15.921 1.00 0.00 C ATOM 1904 NE2 HIS A 120 -32.658 27.982 -16.946 1.00 0.00 N ATOM 0 H HIS A 120 -34.653 25.894 -13.036 1.00 0.00 H new ATOM 0 HA HIS A 120 -33.912 24.660 -14.721 1.00 0.00 H new ATOM 0 HB2 HIS A 120 -31.226 25.631 -13.681 1.00 0.00 H new ATOM 0 HB3 HIS A 120 -31.345 24.604 -15.096 1.00 0.00 H new ATOM 0 HD2 HIS A 120 -32.918 25.831 -17.265 1.00 0.00 H new ATOM 0 HE1 HIS A 120 -32.145 29.754 -15.879 1.00 0.00 H new ATOM 0 HE2 HIS A 120 -32.968 28.370 -17.837 1.00 0.00 H new ATOM 1913 N HIS A 121 -32.294 22.428 -14.356 1.00 0.00 N ATOM 1914 CA HIS A 121 -32.098 20.981 -14.141 1.00 0.00 C ATOM 1915 C HIS A 121 -30.886 20.488 -14.943 1.00 0.00 C ATOM 1916 O HIS A 121 -29.946 19.940 -14.361 1.00 0.00 O ATOM 1917 CB HIS A 121 -33.386 20.219 -14.558 1.00 0.00 C ATOM 1918 CG HIS A 121 -33.352 18.729 -14.368 1.00 0.00 C ATOM 1919 ND1 HIS A 121 -33.624 17.832 -15.376 1.00 0.00 N ATOM 1920 CD2 HIS A 121 -33.131 17.988 -13.267 1.00 0.00 C ATOM 1921 CE1 HIS A 121 -33.571 16.607 -14.901 1.00 0.00 C ATOM 1922 NE2 HIS A 121 -33.274 16.673 -13.625 1.00 0.00 N ATOM 0 H HIS A 121 -31.883 22.773 -15.223 1.00 0.00 H new ATOM 0 HA HIS A 121 -31.904 20.791 -13.085 1.00 0.00 H new ATOM 0 HB2 HIS A 121 -34.224 20.620 -13.988 1.00 0.00 H new ATOM 0 HB3 HIS A 121 -33.586 20.428 -15.609 1.00 0.00 H new ATOM 0 HD2 HIS A 121 -32.886 18.361 -12.283 1.00 0.00 H new ATOM 0 HE1 HIS A 121 -33.743 15.702 -15.465 1.00 0.00 H new ATOM 0 HE2 HIS A 121 -33.167 15.874 -13.000 1.00 0.00 H new ATOM 1931 N HIS A 122 -30.932 20.711 -16.275 1.00 0.00 N ATOM 1932 CA HIS A 122 -29.896 20.269 -17.237 1.00 0.00 C ATOM 1933 C HIS A 122 -29.825 18.716 -17.280 1.00 0.00 C ATOM 1934 O HIS A 122 -29.061 18.110 -16.499 1.00 0.00 O ATOM 1935 CB HIS A 122 -28.512 20.941 -16.939 1.00 0.00 C ATOM 1936 CG HIS A 122 -27.379 20.521 -17.849 1.00 0.00 C ATOM 1937 ND1 HIS A 122 -27.324 20.839 -19.191 1.00 0.00 N ATOM 1938 CD2 HIS A 122 -26.263 19.788 -17.601 1.00 0.00 C ATOM 1939 CE1 HIS A 122 -26.228 20.330 -19.722 1.00 0.00 C ATOM 1940 NE2 HIS A 122 -25.571 19.690 -18.784 1.00 0.00 N ATOM 1941 OXT HIS A 122 -30.571 18.112 -18.077 1.00 0.00 O ATOM 0 H HIS A 122 -31.702 21.211 -16.720 1.00 0.00 H new ATOM 0 HA HIS A 122 -30.178 20.603 -18.236 1.00 0.00 H new ATOM 0 HB2 HIS A 122 -28.630 22.022 -17.008 1.00 0.00 H new ATOM 0 HB3 HIS A 122 -28.232 20.716 -15.910 1.00 0.00 H new ATOM 0 HD2 HIS A 122 -25.974 19.362 -16.652 1.00 0.00 H new ATOM 0 HE1 HIS A 122 -25.924 20.424 -20.754 1.00 0.00 H new ATOM 0 HE2 HIS A 122 -24.687 19.198 -18.912 1.00 0.00 H new TER 1950 HIS A 122