USER MOD reduce.3.24.130724 H: found=0, std=0, add=982, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 982 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 112 HIS : no HD1:sc= -0.0736 K(o=-0.57,f=-1.2) USER MOD Set 1.2: A 113 HIS :FLIP no HD1:sc= -0.496 F(o=-1.2,f=-0.57) USER MOD Set 2.1: A 83 HIS : no HD1:sc= -0.475 X(o=0.65,f=0.25) USER MOD Set 2.2: A 100 THR OG1 : rot 65:sc= 1.12 USER MOD Set 3.1: A 71 SER OG : rot -107:sc= 0.0079 USER MOD Set 3.2: A 73 THR OG1 : rot 180:sc= -0.878 USER MOD Set 4.1: A 62 TYR OH : rot 165:sc= -2.25! USER MOD Set 4.2: A 79 HIS : no HD1:sc= 0.586 K(o=-1.7,f=-4.4!) USER MOD Set 5.1: A 20 TYR OH : rot 180:sc= 0.947 USER MOD Set 5.2: A 92 SER OG : rot 105:sc= 1.1 USER MOD Single : A 1 MET CE :methyl -158:sc= -0.172 (180deg=-0.727) USER MOD Single : A 1 MET N :NH3+ -133:sc= 0.117 (180deg=-0.115) USER MOD Single : A 5 SER OG : rot 48:sc= 0.13 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 132:sc= 0.459 USER MOD Single : A 11 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 18 THR OG1 : rot 80:sc= 1.15 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 27 GLN :FLIP amide:sc= -1.16 F(o=-3.1!,f=-1.2) USER MOD Single : A 28 SER OG : rot 180:sc= 0.165 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 HIS : no HE2:sc= 1.09 K(o=1.1,f=-3.3!) USER MOD Single : A 44 THR OG1 : rot -117:sc= -0.482 USER MOD Single : A 47 SER OG : rot -28:sc= 0.518 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ -167:sc= -0.013 (180deg=-0.212) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 GLN : amide:sc= 1.02 K(o=1,f=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 159:sc= -0.0484 (180deg=-0.397) USER MOD Single : A 68 SER OG : rot -35:sc= 0.16 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 MET CE :methyl 165:sc= -0.18 (180deg=-0.704) USER MOD Single : A 87 SER OG : rot -70:sc= 1.18 USER MOD Single : A 88 GLN :FLIP amide:sc= -0.0733 F(o=-0.99,f=-0.073) USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 ASN : amide:sc= -3.8! C(o=-3.8!,f=-9.1!) USER MOD Single : A 104 LYS NZ :NH3+ -171:sc=-0.000997 (180deg=-0.0918) USER MOD Single : A 108 HIS : no HE2:sc= 0.941 K(o=0.94,f=-4.6!) USER MOD Single : A 114 HIS : no HE2:sc= 0.443 K(o=0.44,f=-4.2!) USER MOD Single : A 115 HIS : no HD1:sc= -0.0831 X(o=-0.083,f=-0.083) USER MOD Single : A 116 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 117 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 16.072 26.376 -8.615 1.00 0.00 N ATOM 2 CA MET A 1 14.699 26.370 -8.078 1.00 0.00 C ATOM 3 C MET A 1 14.599 25.415 -6.904 1.00 0.00 C ATOM 4 O MET A 1 15.586 24.789 -6.511 1.00 0.00 O ATOM 5 CB MET A 1 13.691 25.965 -9.160 1.00 0.00 C ATOM 6 CG MET A 1 13.617 26.937 -10.324 1.00 0.00 C ATOM 7 SD MET A 1 12.413 26.434 -11.565 1.00 0.00 S ATOM 8 CE MET A 1 13.109 24.868 -12.087 1.00 0.00 C ATOM 0 H1 MET A 1 16.386 27.358 -8.755 1.00 0.00 H new ATOM 0 H2 MET A 1 16.709 25.901 -7.944 1.00 0.00 H new ATOM 0 H3 MET A 1 16.091 25.873 -9.525 1.00 0.00 H new ATOM 0 HA MET A 1 14.463 27.380 -7.742 1.00 0.00 H new ATOM 0 HB2 MET A 1 13.956 24.978 -9.539 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.703 25.878 -8.708 1.00 0.00 H new ATOM 0 HG2 MET A 1 13.357 27.927 -9.950 1.00 0.00 H new ATOM 0 HG3 MET A 1 14.600 27.019 -10.788 1.00 0.00 H new ATOM 0 HE1 MET A 1 12.737 24.617 -13.080 1.00 0.00 H new ATOM 0 HE2 MET A 1 14.196 24.944 -12.116 1.00 0.00 H new ATOM 0 HE3 MET A 1 12.819 24.088 -11.383 1.00 0.00 H new ATOM 20 N ILE A 2 13.406 25.316 -6.344 1.00 0.00 N ATOM 21 CA ILE A 2 13.158 24.450 -5.208 1.00 0.00 C ATOM 22 C ILE A 2 12.544 23.131 -5.667 1.00 0.00 C ATOM 23 O ILE A 2 12.544 22.821 -6.859 1.00 0.00 O ATOM 24 CB ILE A 2 12.226 25.131 -4.184 1.00 0.00 C ATOM 25 CG1 ILE A 2 10.907 25.538 -4.851 1.00 0.00 C ATOM 26 CG2 ILE A 2 12.919 26.341 -3.569 1.00 0.00 C ATOM 27 CD1 ILE A 2 9.919 26.181 -3.904 1.00 0.00 C ATOM 0 H ILE A 2 12.586 25.832 -6.663 1.00 0.00 H new ATOM 0 HA ILE A 2 14.115 24.251 -4.726 1.00 0.00 H new ATOM 0 HB ILE A 2 11.999 24.423 -3.387 1.00 0.00 H new ATOM 0 HG12 ILE A 2 11.121 26.231 -5.665 1.00 0.00 H new ATOM 0 HG13 ILE A 2 10.448 24.655 -5.296 1.00 0.00 H new ATOM 0 HG21 ILE A 2 12.253 26.814 -2.848 1.00 0.00 H new ATOM 0 HG22 ILE A 2 13.831 26.021 -3.065 1.00 0.00 H new ATOM 0 HG23 ILE A 2 13.170 27.055 -4.354 1.00 0.00 H new ATOM 0 HD11 ILE A 2 9.011 26.442 -4.447 1.00 0.00 H new ATOM 0 HD12 ILE A 2 9.675 25.483 -3.103 1.00 0.00 H new ATOM 0 HD13 ILE A 2 10.358 27.083 -3.477 1.00 0.00 H new ATOM 39 N GLU A 3 12.022 22.365 -4.724 1.00 0.00 N ATOM 40 CA GLU A 3 11.433 21.074 -5.027 1.00 0.00 C ATOM 41 C GLU A 3 9.920 21.196 -5.194 1.00 0.00 C ATOM 42 O GLU A 3 9.222 21.680 -4.302 1.00 0.00 O ATOM 43 CB GLU A 3 11.778 20.042 -3.937 1.00 0.00 C ATOM 44 CG GLU A 3 11.318 20.409 -2.527 1.00 0.00 C ATOM 45 CD GLU A 3 12.107 21.551 -1.915 1.00 0.00 C ATOM 46 OE1 GLU A 3 13.185 21.291 -1.337 1.00 0.00 O ATOM 47 OE2 GLU A 3 11.656 22.713 -2.009 1.00 0.00 O ATOM 0 H GLU A 3 11.995 22.618 -3.736 1.00 0.00 H new ATOM 0 HA GLU A 3 11.854 20.724 -5.969 1.00 0.00 H new ATOM 0 HB2 GLU A 3 11.332 19.086 -4.210 1.00 0.00 H new ATOM 0 HB3 GLU A 3 12.858 19.898 -3.924 1.00 0.00 H new ATOM 0 HG2 GLU A 3 10.263 20.681 -2.556 1.00 0.00 H new ATOM 0 HG3 GLU A 3 11.404 19.532 -1.885 1.00 0.00 H new ATOM 54 N PRO A 4 9.398 20.788 -6.358 1.00 0.00 N ATOM 55 CA PRO A 4 7.959 20.794 -6.623 1.00 0.00 C ATOM 56 C PRO A 4 7.225 19.811 -5.718 1.00 0.00 C ATOM 57 O PRO A 4 7.526 18.615 -5.709 1.00 0.00 O ATOM 58 CB PRO A 4 7.847 20.359 -8.091 1.00 0.00 C ATOM 59 CG PRO A 4 9.218 20.519 -8.656 1.00 0.00 C ATOM 60 CD PRO A 4 10.162 20.293 -7.512 1.00 0.00 C ATOM 0 HA PRO A 4 7.510 21.769 -6.433 1.00 0.00 H new ATOM 0 HB2 PRO A 4 7.507 19.326 -8.170 1.00 0.00 H new ATOM 0 HB3 PRO A 4 7.126 20.974 -8.629 1.00 0.00 H new ATOM 0 HG2 PRO A 4 9.397 19.802 -9.457 1.00 0.00 H new ATOM 0 HG3 PRO A 4 9.351 21.513 -9.082 1.00 0.00 H new ATOM 0 HD2 PRO A 4 10.422 19.240 -7.404 1.00 0.00 H new ATOM 0 HD3 PRO A 4 11.096 20.840 -7.644 1.00 0.00 H new ATOM 68 N SER A 5 6.271 20.319 -4.953 1.00 0.00 N ATOM 69 CA SER A 5 5.540 19.493 -4.007 1.00 0.00 C ATOM 70 C SER A 5 4.558 18.567 -4.718 1.00 0.00 C ATOM 71 O SER A 5 3.399 18.917 -4.954 1.00 0.00 O ATOM 72 CB SER A 5 4.816 20.366 -2.977 1.00 0.00 C ATOM 73 OG SER A 5 4.084 21.405 -3.605 1.00 0.00 O ATOM 0 H SER A 5 5.986 21.298 -4.969 1.00 0.00 H new ATOM 0 HA SER A 5 6.262 18.867 -3.483 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.140 19.749 -2.385 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.542 20.796 -2.287 1.00 0.00 H new ATOM 0 HG SER A 5 3.551 21.033 -4.338 1.00 0.00 H new ATOM 79 N LYS A 6 5.055 17.408 -5.104 1.00 0.00 N ATOM 80 CA LYS A 6 4.224 16.357 -5.651 1.00 0.00 C ATOM 81 C LYS A 6 3.767 15.448 -4.517 1.00 0.00 C ATOM 82 O LYS A 6 4.591 14.907 -3.777 1.00 0.00 O ATOM 83 CB LYS A 6 5.005 15.587 -6.726 1.00 0.00 C ATOM 84 CG LYS A 6 4.417 14.233 -7.096 1.00 0.00 C ATOM 85 CD LYS A 6 5.058 13.670 -8.360 1.00 0.00 C ATOM 86 CE LYS A 6 6.576 13.811 -8.352 1.00 0.00 C ATOM 87 NZ LYS A 6 7.224 13.016 -7.272 1.00 0.00 N ATOM 0 H LYS A 6 6.045 17.170 -5.047 1.00 0.00 H new ATOM 0 HA LYS A 6 3.339 16.777 -6.128 1.00 0.00 H new ATOM 0 HB2 LYS A 6 5.060 16.201 -7.625 1.00 0.00 H new ATOM 0 HB3 LYS A 6 6.027 15.440 -6.377 1.00 0.00 H new ATOM 0 HG2 LYS A 6 4.562 13.535 -6.272 1.00 0.00 H new ATOM 0 HG3 LYS A 6 3.342 14.331 -7.245 1.00 0.00 H new ATOM 0 HD2 LYS A 6 4.794 12.617 -8.461 1.00 0.00 H new ATOM 0 HD3 LYS A 6 4.652 14.185 -9.231 1.00 0.00 H new ATOM 0 HE2 LYS A 6 6.971 13.494 -9.317 1.00 0.00 H new ATOM 0 HE3 LYS A 6 6.838 14.862 -8.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 8.255 13.149 -7.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 6.871 13.334 -6.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 7.000 12.009 -7.400 1.00 0.00 H new ATOM 101 N ILE A 7 2.455 15.323 -4.364 1.00 0.00 N ATOM 102 CA ILE A 7 1.871 14.582 -3.251 1.00 0.00 C ATOM 103 C ILE A 7 2.351 13.135 -3.227 1.00 0.00 C ATOM 104 O ILE A 7 2.011 12.339 -4.102 1.00 0.00 O ATOM 105 CB ILE A 7 0.326 14.606 -3.302 1.00 0.00 C ATOM 106 CG1 ILE A 7 -0.192 16.050 -3.291 1.00 0.00 C ATOM 107 CG2 ILE A 7 -0.263 13.821 -2.135 1.00 0.00 C ATOM 108 CD1 ILE A 7 0.187 16.828 -2.047 1.00 0.00 C ATOM 0 H ILE A 7 1.770 15.728 -5.002 1.00 0.00 H new ATOM 0 HA ILE A 7 2.203 15.079 -2.340 1.00 0.00 H new ATOM 0 HB ILE A 7 0.008 14.132 -4.231 1.00 0.00 H new ATOM 0 HG12 ILE A 7 0.196 16.572 -4.166 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -1.278 16.037 -3.383 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -1.351 13.850 -2.189 1.00 0.00 H new ATOM 0 HG22 ILE A 7 0.075 12.786 -2.185 1.00 0.00 H new ATOM 0 HG23 ILE A 7 0.065 14.265 -1.195 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.215 17.839 -2.114 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.224 16.331 -1.168 1.00 0.00 H new ATOM 0 HD13 ILE A 7 1.273 16.874 -1.963 1.00 0.00 H new ATOM 120 N THR A 8 3.164 12.816 -2.230 1.00 0.00 N ATOM 121 CA THR A 8 3.631 11.460 -2.025 1.00 0.00 C ATOM 122 C THR A 8 2.608 10.660 -1.226 1.00 0.00 C ATOM 123 O THR A 8 1.813 11.229 -0.470 1.00 0.00 O ATOM 124 CB THR A 8 4.988 11.455 -1.299 1.00 0.00 C ATOM 125 OG1 THR A 8 5.020 12.504 -0.323 1.00 0.00 O ATOM 126 CG2 THR A 8 6.137 11.630 -2.282 1.00 0.00 C ATOM 0 H THR A 8 3.514 13.488 -1.547 1.00 0.00 H new ATOM 0 HA THR A 8 3.759 10.993 -3.002 1.00 0.00 H new ATOM 0 HB THR A 8 5.107 10.491 -0.804 1.00 0.00 H new ATOM 0 HG1 THR A 8 5.352 12.149 0.528 1.00 0.00 H new ATOM 0 HG21 THR A 8 7.083 11.623 -1.741 1.00 0.00 H new ATOM 0 HG22 THR A 8 6.126 10.814 -3.004 1.00 0.00 H new ATOM 0 HG23 THR A 8 6.026 12.579 -2.806 1.00 0.00 H new ATOM 134 N VAL A 9 2.630 9.344 -1.394 1.00 0.00 N ATOM 135 CA VAL A 9 1.649 8.467 -0.763 1.00 0.00 C ATOM 136 C VAL A 9 1.693 8.575 0.761 1.00 0.00 C ATOM 137 O VAL A 9 0.657 8.569 1.417 1.00 0.00 O ATOM 138 CB VAL A 9 1.858 6.994 -1.183 1.00 0.00 C ATOM 139 CG1 VAL A 9 0.845 6.084 -0.503 1.00 0.00 C ATOM 140 CG2 VAL A 9 1.771 6.856 -2.696 1.00 0.00 C ATOM 0 H VAL A 9 3.321 8.857 -1.965 1.00 0.00 H new ATOM 0 HA VAL A 9 0.669 8.797 -1.107 1.00 0.00 H new ATOM 0 HB VAL A 9 2.854 6.687 -0.863 1.00 0.00 H new ATOM 0 HG11 VAL A 9 1.014 5.054 -0.816 1.00 0.00 H new ATOM 0 HG12 VAL A 9 0.958 6.158 0.579 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -0.163 6.388 -0.784 1.00 0.00 H new ATOM 0 HG21 VAL A 9 1.920 5.813 -2.975 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.789 7.186 -3.036 1.00 0.00 H new ATOM 0 HG23 VAL A 9 2.541 7.470 -3.162 1.00 0.00 H new ATOM 150 N GLU A 10 2.887 8.695 1.321 1.00 0.00 N ATOM 151 CA GLU A 10 3.035 8.757 2.773 1.00 0.00 C ATOM 152 C GLU A 10 2.599 10.113 3.330 1.00 0.00 C ATOM 153 O GLU A 10 2.108 10.198 4.457 1.00 0.00 O ATOM 154 CB GLU A 10 4.469 8.408 3.186 1.00 0.00 C ATOM 155 CG GLU A 10 5.559 9.072 2.358 1.00 0.00 C ATOM 156 CD GLU A 10 5.839 10.494 2.782 1.00 0.00 C ATOM 157 OE1 GLU A 10 6.359 10.689 3.899 1.00 0.00 O ATOM 158 OE2 GLU A 10 5.543 11.420 1.998 1.00 0.00 O ATOM 0 H GLU A 10 3.762 8.751 0.801 1.00 0.00 H new ATOM 0 HA GLU A 10 2.370 8.011 3.209 1.00 0.00 H new ATOM 0 HB2 GLU A 10 4.608 8.686 4.231 1.00 0.00 H new ATOM 0 HB3 GLU A 10 4.595 7.327 3.125 1.00 0.00 H new ATOM 0 HG2 GLU A 10 6.476 8.488 2.439 1.00 0.00 H new ATOM 0 HG3 GLU A 10 5.266 9.063 1.308 1.00 0.00 H new ATOM 165 N GLN A 11 2.760 11.162 2.534 1.00 0.00 N ATOM 166 CA GLN A 11 2.272 12.486 2.903 1.00 0.00 C ATOM 167 C GLN A 11 0.749 12.452 2.947 1.00 0.00 C ATOM 168 O GLN A 11 0.122 12.896 3.912 1.00 0.00 O ATOM 169 CB GLN A 11 2.752 13.530 1.883 1.00 0.00 C ATOM 170 CG GLN A 11 3.417 14.757 2.496 1.00 0.00 C ATOM 171 CD GLN A 11 2.490 15.559 3.391 1.00 0.00 C ATOM 172 OE1 GLN A 11 1.275 15.574 3.203 1.00 0.00 O ATOM 173 NE2 GLN A 11 3.064 16.255 4.360 1.00 0.00 N ATOM 0 H GLN A 11 3.225 11.122 1.627 1.00 0.00 H new ATOM 0 HA GLN A 11 2.661 12.763 3.883 1.00 0.00 H new ATOM 0 HB2 GLN A 11 3.456 13.055 1.200 1.00 0.00 H new ATOM 0 HB3 GLN A 11 1.899 13.855 1.287 1.00 0.00 H new ATOM 0 HG2 GLN A 11 4.285 14.440 3.075 1.00 0.00 H new ATOM 0 HG3 GLN A 11 3.784 15.400 1.696 1.00 0.00 H new ATOM 0 HE21 GLN A 11 4.076 16.217 4.485 1.00 0.00 H new ATOM 0 HE22 GLN A 11 2.495 16.829 4.982 1.00 0.00 H new ATOM 182 N TRP A 12 0.171 11.886 1.893 1.00 0.00 N ATOM 183 CA TRP A 12 -1.266 11.703 1.798 1.00 0.00 C ATOM 184 C TRP A 12 -1.769 10.798 2.919 1.00 0.00 C ATOM 185 O TRP A 12 -2.770 11.098 3.559 1.00 0.00 O ATOM 186 CB TRP A 12 -1.625 11.112 0.430 1.00 0.00 C ATOM 187 CG TRP A 12 -3.064 10.709 0.297 1.00 0.00 C ATOM 188 CD1 TRP A 12 -4.126 11.520 0.016 1.00 0.00 C ATOM 189 CD2 TRP A 12 -3.596 9.384 0.435 1.00 0.00 C ATOM 190 NE1 TRP A 12 -5.285 10.781 -0.023 1.00 0.00 N ATOM 191 CE2 TRP A 12 -4.985 9.469 0.229 1.00 0.00 C ATOM 192 CE3 TRP A 12 -3.032 8.136 0.715 1.00 0.00 C ATOM 193 CZ2 TRP A 12 -5.815 8.353 0.289 1.00 0.00 C ATOM 194 CZ3 TRP A 12 -3.857 7.030 0.777 1.00 0.00 C ATOM 195 CH2 TRP A 12 -5.237 7.145 0.565 1.00 0.00 C ATOM 0 H TRP A 12 0.688 11.543 1.083 1.00 0.00 H new ATOM 0 HA TRP A 12 -1.751 12.673 1.903 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -1.391 11.844 -0.343 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -0.996 10.241 0.246 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -4.065 12.585 -0.151 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -6.217 11.150 -0.209 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -1.969 8.038 0.880 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -6.879 8.438 0.123 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -3.431 6.061 0.992 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -5.857 6.262 0.621 1.00 0.00 H new ATOM 206 N LEU A 13 -1.054 9.703 3.158 1.00 0.00 N ATOM 207 CA LEU A 13 -1.442 8.723 4.169 1.00 0.00 C ATOM 208 C LEU A 13 -1.513 9.376 5.549 1.00 0.00 C ATOM 209 O LEU A 13 -2.492 9.199 6.277 1.00 0.00 O ATOM 210 CB LEU A 13 -0.445 7.550 4.174 1.00 0.00 C ATOM 211 CG LEU A 13 -0.975 6.207 4.702 1.00 0.00 C ATOM 212 CD1 LEU A 13 -1.169 6.234 6.211 1.00 0.00 C ATOM 213 CD2 LEU A 13 -2.278 5.838 4.005 1.00 0.00 C ATOM 0 H LEU A 13 -0.195 9.470 2.660 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.432 8.339 3.925 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.088 7.400 3.155 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.418 7.837 4.775 1.00 0.00 H new ATOM 0 HG LEU A 13 -0.227 5.446 4.479 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.545 5.267 6.547 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -0.216 6.442 6.697 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.886 7.012 6.472 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.640 4.885 4.390 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.023 6.611 4.193 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.105 5.754 2.932 1.00 0.00 H new ATOM 225 N ASN A 14 -0.484 10.144 5.896 1.00 0.00 N ATOM 226 CA ASN A 14 -0.437 10.821 7.192 1.00 0.00 C ATOM 227 C ASN A 14 -1.613 11.786 7.331 1.00 0.00 C ATOM 228 O ASN A 14 -2.273 11.840 8.371 1.00 0.00 O ATOM 229 CB ASN A 14 0.886 11.577 7.354 1.00 0.00 C ATOM 230 CG ASN A 14 1.081 12.114 8.761 1.00 0.00 C ATOM 231 OD1 ASN A 14 0.641 13.218 9.088 1.00 0.00 O ATOM 232 ND2 ASN A 14 1.759 11.344 9.601 1.00 0.00 N ATOM 0 H ASN A 14 0.327 10.314 5.301 1.00 0.00 H new ATOM 0 HA ASN A 14 -0.507 10.067 7.976 1.00 0.00 H new ATOM 0 HB2 ASN A 14 1.713 10.913 7.104 1.00 0.00 H new ATOM 0 HB3 ASN A 14 0.917 12.405 6.645 1.00 0.00 H new ATOM 0 HD21 ASN A 14 1.932 11.660 10.555 1.00 0.00 H new ATOM 0 HD22 ASN A 14 2.107 10.436 9.293 1.00 0.00 H new ATOM 239 N ARG A 15 -1.878 12.537 6.268 1.00 0.00 N ATOM 240 CA ARG A 15 -3.011 13.456 6.234 1.00 0.00 C ATOM 241 C ARG A 15 -4.323 12.678 6.355 1.00 0.00 C ATOM 242 O ARG A 15 -5.204 13.030 7.141 1.00 0.00 O ATOM 243 CB ARG A 15 -3.001 14.254 4.923 1.00 0.00 C ATOM 244 CG ARG A 15 -4.104 15.298 4.825 1.00 0.00 C ATOM 245 CD ARG A 15 -4.284 15.800 3.398 1.00 0.00 C ATOM 246 NE ARG A 15 -3.068 16.405 2.853 1.00 0.00 N ATOM 247 CZ ARG A 15 -2.891 16.687 1.560 1.00 0.00 C ATOM 248 NH1 ARG A 15 -3.837 16.390 0.673 1.00 0.00 N ATOM 249 NH2 ARG A 15 -1.769 17.264 1.147 1.00 0.00 N ATOM 0 H ARG A 15 -1.321 12.527 5.414 1.00 0.00 H new ATOM 0 HA ARG A 15 -2.928 14.146 7.073 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -2.036 14.749 4.819 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -3.096 13.561 4.087 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -5.041 14.871 5.181 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -3.868 16.138 5.479 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -4.588 14.969 2.761 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -5.091 16.532 3.374 1.00 0.00 H new ATOM 0 HE ARG A 15 -2.310 16.624 3.500 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -4.702 15.945 0.980 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -3.697 16.607 -0.314 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -1.037 17.494 1.819 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -1.639 17.477 0.158 1.00 0.00 H new ATOM 263 N TRP A 16 -4.419 11.609 5.577 1.00 0.00 N ATOM 264 CA TRP A 16 -5.613 10.778 5.507 1.00 0.00 C ATOM 265 C TRP A 16 -5.989 10.217 6.872 1.00 0.00 C ATOM 266 O TRP A 16 -7.131 10.357 7.310 1.00 0.00 O ATOM 267 CB TRP A 16 -5.386 9.632 4.520 1.00 0.00 C ATOM 268 CG TRP A 16 -6.600 8.788 4.287 1.00 0.00 C ATOM 269 CD1 TRP A 16 -6.931 7.625 4.921 1.00 0.00 C ATOM 270 CD2 TRP A 16 -7.647 9.047 3.348 1.00 0.00 C ATOM 271 NE1 TRP A 16 -8.122 7.146 4.434 1.00 0.00 N ATOM 272 CE2 TRP A 16 -8.579 8.001 3.462 1.00 0.00 C ATOM 273 CE3 TRP A 16 -7.884 10.063 2.419 1.00 0.00 C ATOM 274 CZ2 TRP A 16 -9.730 7.944 2.683 1.00 0.00 C ATOM 275 CZ3 TRP A 16 -9.027 10.005 1.646 1.00 0.00 C ATOM 276 CH2 TRP A 16 -9.936 8.950 1.782 1.00 0.00 C ATOM 0 H TRP A 16 -3.663 11.291 4.971 1.00 0.00 H new ATOM 0 HA TRP A 16 -6.438 11.403 5.165 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -5.054 10.045 3.568 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -4.580 8.999 4.891 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -6.342 7.151 5.693 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -8.590 6.294 4.744 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -7.186 10.879 2.307 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -10.436 7.133 2.787 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -9.222 10.786 0.926 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -10.820 8.931 1.161 1.00 0.00 H new ATOM 287 N LEU A 17 -5.030 9.591 7.546 1.00 0.00 N ATOM 288 CA LEU A 17 -5.301 8.963 8.833 1.00 0.00 C ATOM 289 C LEU A 17 -5.721 10.003 9.871 1.00 0.00 C ATOM 290 O LEU A 17 -6.472 9.702 10.791 1.00 0.00 O ATOM 291 CB LEU A 17 -4.091 8.139 9.318 1.00 0.00 C ATOM 292 CG LEU A 17 -2.774 8.900 9.547 1.00 0.00 C ATOM 293 CD1 LEU A 17 -2.743 9.549 10.923 1.00 0.00 C ATOM 294 CD2 LEU A 17 -1.586 7.965 9.380 1.00 0.00 C ATOM 0 H LEU A 17 -4.066 9.505 7.225 1.00 0.00 H new ATOM 0 HA LEU A 17 -6.134 8.272 8.701 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -4.367 7.650 10.253 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.904 7.350 8.589 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.711 9.691 8.799 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.800 10.079 11.054 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -3.570 10.253 11.012 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.837 8.780 11.690 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.661 8.518 9.545 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.657 7.153 10.104 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.587 7.552 8.371 1.00 0.00 H new ATOM 306 N THR A 18 -5.255 11.236 9.700 1.00 0.00 N ATOM 307 CA THR A 18 -5.590 12.310 10.624 1.00 0.00 C ATOM 308 C THR A 18 -7.002 12.828 10.351 1.00 0.00 C ATOM 309 O THR A 18 -7.761 13.131 11.275 1.00 0.00 O ATOM 310 CB THR A 18 -4.583 13.475 10.513 1.00 0.00 C ATOM 311 OG1 THR A 18 -3.242 12.975 10.631 1.00 0.00 O ATOM 312 CG2 THR A 18 -4.830 14.518 11.595 1.00 0.00 C ATOM 0 H THR A 18 -4.645 11.514 8.931 1.00 0.00 H new ATOM 0 HA THR A 18 -5.543 11.904 11.634 1.00 0.00 H new ATOM 0 HB THR A 18 -4.717 13.946 9.539 1.00 0.00 H new ATOM 0 HG1 THR A 18 -2.958 12.594 9.774 1.00 0.00 H new ATOM 0 HG21 THR A 18 -4.106 15.327 11.493 1.00 0.00 H new ATOM 0 HG22 THR A 18 -5.839 14.918 11.491 1.00 0.00 H new ATOM 0 HG23 THR A 18 -4.722 14.057 12.577 1.00 0.00 H new ATOM 320 N ASP A 19 -7.357 12.903 9.076 1.00 0.00 N ATOM 321 CA ASP A 19 -8.654 13.426 8.663 1.00 0.00 C ATOM 322 C ASP A 19 -9.754 12.383 8.838 1.00 0.00 C ATOM 323 O ASP A 19 -10.885 12.710 9.205 1.00 0.00 O ATOM 324 CB ASP A 19 -8.586 13.891 7.202 1.00 0.00 C ATOM 325 CG ASP A 19 -9.898 14.458 6.697 1.00 0.00 C ATOM 326 OD1 ASP A 19 -10.331 15.516 7.203 1.00 0.00 O ATOM 327 OD2 ASP A 19 -10.492 13.868 5.771 1.00 0.00 O ATOM 0 H ASP A 19 -6.761 12.606 8.304 1.00 0.00 H new ATOM 0 HA ASP A 19 -8.899 14.276 9.300 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -7.808 14.648 7.104 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -8.294 13.050 6.573 1.00 0.00 H new ATOM 332 N TYR A 20 -9.415 11.125 8.591 1.00 0.00 N ATOM 333 CA TYR A 20 -10.381 10.037 8.673 1.00 0.00 C ATOM 334 C TYR A 20 -10.282 9.268 9.989 1.00 0.00 C ATOM 335 O TYR A 20 -10.947 8.245 10.155 1.00 0.00 O ATOM 336 CB TYR A 20 -10.208 9.078 7.495 1.00 0.00 C ATOM 337 CG TYR A 20 -10.960 9.500 6.252 1.00 0.00 C ATOM 338 CD1 TYR A 20 -10.530 10.570 5.475 1.00 0.00 C ATOM 339 CD2 TYR A 20 -12.109 8.825 5.860 1.00 0.00 C ATOM 340 CE1 TYR A 20 -11.226 10.953 4.344 1.00 0.00 C ATOM 341 CE2 TYR A 20 -12.809 9.202 4.731 1.00 0.00 C ATOM 342 CZ TYR A 20 -12.364 10.266 3.976 1.00 0.00 C ATOM 343 OH TYR A 20 -13.063 10.643 2.851 1.00 0.00 O ATOM 0 H TYR A 20 -8.473 10.831 8.331 1.00 0.00 H new ATOM 0 HA TYR A 20 -11.372 10.490 8.632 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -9.147 8.996 7.257 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -10.545 8.085 7.793 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -9.639 11.110 5.760 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -12.461 7.991 6.449 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -10.880 11.787 3.751 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -13.701 8.666 4.441 1.00 0.00 H new ATOM 0 HH TYR A 20 -13.838 10.054 2.735 1.00 0.00 H new ATOM 353 N ALA A 21 -9.446 9.743 10.910 1.00 0.00 N ATOM 354 CA ALA A 21 -9.347 9.135 12.236 1.00 0.00 C ATOM 355 C ALA A 21 -10.714 9.060 12.900 1.00 0.00 C ATOM 356 O ALA A 21 -11.132 7.992 13.353 1.00 0.00 O ATOM 357 CB ALA A 21 -8.386 9.917 13.116 1.00 0.00 C ATOM 0 H ALA A 21 -8.830 10.543 10.764 1.00 0.00 H new ATOM 0 HA ALA A 21 -8.963 8.122 12.111 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.327 9.447 14.098 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -7.397 9.924 12.658 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -8.743 10.941 13.224 1.00 0.00 H new ATOM 363 N LYS A 22 -11.399 10.204 12.941 1.00 0.00 N ATOM 364 CA LYS A 22 -12.748 10.298 13.499 1.00 0.00 C ATOM 365 C LYS A 22 -12.767 9.800 14.950 1.00 0.00 C ATOM 366 O LYS A 22 -13.155 8.665 15.229 1.00 0.00 O ATOM 367 CB LYS A 22 -13.740 9.506 12.633 1.00 0.00 C ATOM 368 CG LYS A 22 -15.200 9.751 12.978 1.00 0.00 C ATOM 369 CD LYS A 22 -15.650 11.147 12.579 1.00 0.00 C ATOM 370 CE LYS A 22 -17.105 11.382 12.950 1.00 0.00 C ATOM 371 NZ LYS A 22 -17.598 12.699 12.467 1.00 0.00 N ATOM 0 H LYS A 22 -11.035 11.089 12.589 1.00 0.00 H new ATOM 0 HA LYS A 22 -13.054 11.344 13.498 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -13.577 9.763 11.586 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -13.527 8.442 12.737 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -15.821 9.011 12.473 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -15.348 9.614 14.049 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -15.022 11.889 13.072 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -15.519 11.281 11.505 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -17.720 10.588 12.527 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -17.216 11.328 14.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -18.594 12.819 12.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -17.029 13.459 12.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -17.517 12.741 11.431 1.00 0.00 H new ATOM 385 N PRO A 23 -12.335 10.653 15.890 1.00 0.00 N ATOM 386 CA PRO A 23 -12.169 10.294 17.301 1.00 0.00 C ATOM 387 C PRO A 23 -13.481 10.317 18.088 1.00 0.00 C ATOM 388 O PRO A 23 -13.488 10.564 19.297 1.00 0.00 O ATOM 389 CB PRO A 23 -11.207 11.376 17.837 1.00 0.00 C ATOM 390 CG PRO A 23 -10.865 12.247 16.668 1.00 0.00 C ATOM 391 CD PRO A 23 -11.956 12.047 15.659 1.00 0.00 C ATOM 0 HA PRO A 23 -11.800 9.274 17.409 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -11.677 11.957 18.631 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -10.310 10.924 18.261 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -10.800 13.293 16.968 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -9.895 11.975 16.251 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -12.791 12.729 15.821 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -11.604 12.210 14.640 1.00 0.00 H new ATOM 399 N HIS A 24 -14.587 10.041 17.411 1.00 0.00 N ATOM 400 CA HIS A 24 -15.886 10.006 18.068 1.00 0.00 C ATOM 401 C HIS A 24 -16.167 8.607 18.602 1.00 0.00 C ATOM 402 O HIS A 24 -16.337 8.412 19.805 1.00 0.00 O ATOM 403 CB HIS A 24 -16.999 10.441 17.104 1.00 0.00 C ATOM 404 CG HIS A 24 -18.379 10.379 17.694 1.00 0.00 C ATOM 405 ND1 HIS A 24 -18.904 11.367 18.500 1.00 0.00 N ATOM 406 CD2 HIS A 24 -19.345 9.439 17.580 1.00 0.00 C ATOM 407 CE1 HIS A 24 -20.130 11.034 18.856 1.00 0.00 C ATOM 408 NE2 HIS A 24 -20.423 9.869 18.311 1.00 0.00 N ATOM 0 H HIS A 24 -14.611 9.839 16.412 1.00 0.00 H new ATOM 0 HA HIS A 24 -15.866 10.706 18.903 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -16.802 11.461 16.775 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -16.965 9.808 16.218 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -19.280 8.520 17.017 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -20.784 11.617 19.487 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -21.306 9.370 18.416 1.00 0.00 H new ATOM 417 N LEU A 25 -16.217 7.641 17.700 1.00 0.00 N ATOM 418 CA LEU A 25 -16.496 6.267 18.070 1.00 0.00 C ATOM 419 C LEU A 25 -15.356 5.354 17.630 1.00 0.00 C ATOM 420 O LEU A 25 -15.056 5.251 16.439 1.00 0.00 O ATOM 421 CB LEU A 25 -17.811 5.814 17.435 1.00 0.00 C ATOM 422 CG LEU A 25 -18.305 4.435 17.875 1.00 0.00 C ATOM 423 CD1 LEU A 25 -18.612 4.426 19.365 1.00 0.00 C ATOM 424 CD2 LEU A 25 -19.531 4.032 17.071 1.00 0.00 C ATOM 0 H LEU A 25 -16.067 7.786 16.702 1.00 0.00 H new ATOM 0 HA LEU A 25 -16.586 6.207 19.155 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -18.581 6.550 17.668 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -17.691 5.811 16.352 1.00 0.00 H new ATOM 0 HG LEU A 25 -17.515 3.708 17.687 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -18.962 3.436 19.658 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -17.709 4.672 19.924 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -19.385 5.163 19.582 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -19.871 3.049 17.395 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -20.326 4.761 17.229 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -19.276 3.997 16.012 1.00 0.00 H new ATOM 436 N ARG A 26 -14.723 4.714 18.612 1.00 0.00 N ATOM 437 CA ARG A 26 -13.644 3.754 18.373 1.00 0.00 C ATOM 438 C ARG A 26 -12.402 4.420 17.793 1.00 0.00 C ATOM 439 O ARG A 26 -12.238 4.524 16.573 1.00 0.00 O ATOM 440 CB ARG A 26 -14.109 2.606 17.466 1.00 0.00 C ATOM 441 CG ARG A 26 -14.712 1.424 18.214 1.00 0.00 C ATOM 442 CD ARG A 26 -15.795 1.857 19.189 1.00 0.00 C ATOM 443 NE ARG A 26 -16.462 0.715 19.809 1.00 0.00 N ATOM 444 CZ ARG A 26 -16.127 0.205 20.993 1.00 0.00 C ATOM 445 NH1 ARG A 26 -15.143 0.743 21.706 1.00 0.00 N ATOM 446 NH2 ARG A 26 -16.789 -0.842 21.470 1.00 0.00 N ATOM 0 H ARG A 26 -14.944 4.846 19.599 1.00 0.00 H new ATOM 0 HA ARG A 26 -13.374 3.339 19.344 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -14.847 2.990 16.762 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -13.260 2.255 16.879 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -15.131 0.718 17.497 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -13.925 0.899 18.756 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -15.355 2.484 19.964 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -16.532 2.467 18.665 1.00 0.00 H new ATOM 0 HE ARG A 26 -17.234 0.280 19.303 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -14.637 1.553 21.348 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -14.893 0.346 22.612 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -17.551 -1.253 20.930 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -16.536 -1.236 22.376 1.00 0.00 H new ATOM 460 N GLN A 27 -11.536 4.884 18.679 1.00 0.00 N ATOM 461 CA GLN A 27 -10.246 5.410 18.275 1.00 0.00 C ATOM 462 C GLN A 27 -9.295 4.246 18.052 1.00 0.00 C ATOM 463 O GLN A 27 -9.104 3.418 18.942 1.00 0.00 O ATOM 464 CB GLN A 27 -9.662 6.357 19.332 1.00 0.00 C ATOM 465 CG GLN A 27 -10.588 7.497 19.739 1.00 0.00 C ATOM 466 CD GLN A 27 -11.636 7.072 20.750 1.00 0.00 C ATOM 467 OE1 GLN A 27 -11.283 6.123 21.606 1.00 0.00 O flip ATOM 468 NE2 GLN A 27 -12.746 7.600 20.772 1.00 0.00 N flip ATOM 0 H GLN A 27 -11.705 4.906 19.685 1.00 0.00 H new ATOM 0 HA GLN A 27 -10.377 5.982 17.357 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -9.407 5.778 20.220 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -8.733 6.779 18.950 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -9.994 8.309 20.158 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -11.084 7.890 18.852 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -12.978 8.327 20.095 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -13.435 7.311 21.467 1.00 0.00 H new ATOM 477 N SER A 28 -8.731 4.162 16.862 1.00 0.00 N ATOM 478 CA SER A 28 -7.824 3.078 16.534 1.00 0.00 C ATOM 479 C SER A 28 -6.395 3.426 16.950 1.00 0.00 C ATOM 480 O SER A 28 -6.084 3.454 18.144 1.00 0.00 O ATOM 481 CB SER A 28 -7.909 2.759 15.037 1.00 0.00 C ATOM 482 OG SER A 28 -7.811 3.942 14.257 1.00 0.00 O ATOM 0 H SER A 28 -8.884 4.830 16.107 1.00 0.00 H new ATOM 0 HA SER A 28 -8.119 2.188 17.089 1.00 0.00 H new ATOM 0 HB2 SER A 28 -7.109 2.071 14.762 1.00 0.00 H new ATOM 0 HB3 SER A 28 -8.851 2.255 14.822 1.00 0.00 H new ATOM 0 HG SER A 28 -7.866 3.712 13.306 1.00 0.00 H new ATOM 488 N THR A 29 -5.548 3.733 15.966 1.00 0.00 N ATOM 489 CA THR A 29 -4.143 4.047 16.216 1.00 0.00 C ATOM 490 C THR A 29 -3.419 2.836 16.840 1.00 0.00 C ATOM 491 O THR A 29 -4.048 1.816 17.127 1.00 0.00 O ATOM 492 CB THR A 29 -4.026 5.287 17.142 1.00 0.00 C ATOM 493 OG1 THR A 29 -4.985 6.279 16.742 1.00 0.00 O ATOM 494 CG2 THR A 29 -2.633 5.901 17.089 1.00 0.00 C ATOM 0 H THR A 29 -5.815 3.771 14.982 1.00 0.00 H new ATOM 0 HA THR A 29 -3.665 4.277 15.264 1.00 0.00 H new ATOM 0 HB THR A 29 -4.218 4.956 18.163 1.00 0.00 H new ATOM 0 HG1 THR A 29 -4.911 7.061 17.329 1.00 0.00 H new ATOM 0 HG21 THR A 29 -2.591 6.766 17.751 1.00 0.00 H new ATOM 0 HG22 THR A 29 -1.898 5.163 17.410 1.00 0.00 H new ATOM 0 HG23 THR A 29 -2.412 6.214 16.068 1.00 0.00 H new ATOM 502 N TRP A 30 -2.091 2.930 16.979 1.00 0.00 N ATOM 503 CA TRP A 30 -1.280 1.945 17.719 1.00 0.00 C ATOM 504 C TRP A 30 -1.123 0.607 16.978 1.00 0.00 C ATOM 505 O TRP A 30 -0.079 -0.039 17.076 1.00 0.00 O ATOM 506 CB TRP A 30 -1.867 1.690 19.117 1.00 0.00 C ATOM 507 CG TRP A 30 -2.038 2.930 19.945 1.00 0.00 C ATOM 508 CD1 TRP A 30 -3.210 3.577 20.216 1.00 0.00 C ATOM 509 CD2 TRP A 30 -1.008 3.672 20.610 1.00 0.00 C ATOM 510 NE1 TRP A 30 -2.973 4.676 21.007 1.00 0.00 N ATOM 511 CE2 TRP A 30 -1.629 4.755 21.263 1.00 0.00 C ATOM 512 CE3 TRP A 30 0.378 3.525 20.718 1.00 0.00 C ATOM 513 CZ2 TRP A 30 -0.910 5.684 22.011 1.00 0.00 C ATOM 514 CZ3 TRP A 30 1.088 4.448 21.461 1.00 0.00 C ATOM 515 CH2 TRP A 30 0.444 5.515 22.098 1.00 0.00 C ATOM 0 H TRP A 30 -1.543 3.693 16.581 1.00 0.00 H new ATOM 0 HA TRP A 30 -0.287 2.386 17.808 1.00 0.00 H new ATOM 0 HB2 TRP A 30 -2.835 1.202 19.009 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -1.218 0.996 19.651 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -4.182 3.270 19.860 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -3.681 5.326 21.348 1.00 0.00 H new ATOM 0 HE3 TRP A 30 0.884 2.705 20.230 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -1.404 6.508 22.504 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 2.159 4.344 21.552 1.00 0.00 H new ATOM 0 HH2 TRP A 30 1.029 6.220 22.670 1.00 0.00 H new ATOM 526 N GLU A 31 -2.159 0.189 16.257 1.00 0.00 N ATOM 527 CA GLU A 31 -2.169 -1.110 15.587 1.00 0.00 C ATOM 528 C GLU A 31 -1.000 -1.282 14.621 1.00 0.00 C ATOM 529 O GLU A 31 -0.527 -0.324 14.005 1.00 0.00 O ATOM 530 CB GLU A 31 -3.493 -1.326 14.858 1.00 0.00 C ATOM 531 CG GLU A 31 -4.385 -2.355 15.530 1.00 0.00 C ATOM 532 CD GLU A 31 -4.694 -2.016 16.974 1.00 0.00 C ATOM 533 OE1 GLU A 31 -3.806 -2.190 17.839 1.00 0.00 O ATOM 534 OE2 GLU A 31 -5.832 -1.588 17.255 1.00 0.00 O ATOM 0 H GLU A 31 -3.010 0.735 16.120 1.00 0.00 H new ATOM 0 HA GLU A 31 -2.057 -1.866 16.364 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -4.026 -0.377 14.797 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -3.290 -1.643 13.835 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -5.319 -2.437 14.974 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -3.901 -3.331 15.487 1.00 0.00 H new ATOM 541 N SER A 32 -0.568 -2.531 14.486 1.00 0.00 N ATOM 542 CA SER A 32 0.627 -2.888 13.729 1.00 0.00 C ATOM 543 C SER A 32 0.455 -2.687 12.224 1.00 0.00 C ATOM 544 O SER A 32 1.435 -2.736 11.475 1.00 0.00 O ATOM 545 CB SER A 32 0.973 -4.344 14.012 1.00 0.00 C ATOM 546 OG SER A 32 0.984 -4.599 15.407 1.00 0.00 O ATOM 0 H SER A 32 -1.042 -3.332 14.903 1.00 0.00 H new ATOM 0 HA SER A 32 1.432 -2.226 14.049 1.00 0.00 H new ATOM 0 HB2 SER A 32 0.248 -4.996 13.525 1.00 0.00 H new ATOM 0 HB3 SER A 32 1.949 -4.579 13.587 1.00 0.00 H new ATOM 0 HG SER A 32 1.207 -5.540 15.566 1.00 0.00 H new ATOM 552 N TYR A 33 -0.779 -2.467 11.775 1.00 0.00 N ATOM 553 CA TYR A 33 -1.039 -2.238 10.356 1.00 0.00 C ATOM 554 C TYR A 33 -0.274 -1.002 9.891 1.00 0.00 C ATOM 555 O TYR A 33 0.173 -0.923 8.748 1.00 0.00 O ATOM 556 CB TYR A 33 -2.546 -2.079 10.086 1.00 0.00 C ATOM 557 CG TYR A 33 -3.081 -0.676 10.264 1.00 0.00 C ATOM 558 CD1 TYR A 33 -3.248 -0.124 11.527 1.00 0.00 C ATOM 559 CD2 TYR A 33 -3.414 0.097 9.159 1.00 0.00 C ATOM 560 CE1 TYR A 33 -3.735 1.163 11.681 1.00 0.00 C ATOM 561 CE2 TYR A 33 -3.900 1.380 9.303 1.00 0.00 C ATOM 562 CZ TYR A 33 -4.060 1.909 10.564 1.00 0.00 C ATOM 563 OH TYR A 33 -4.540 3.192 10.707 1.00 0.00 O ATOM 0 H TYR A 33 -1.608 -2.443 12.368 1.00 0.00 H new ATOM 0 HA TYR A 33 -0.695 -3.105 9.793 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -2.754 -2.405 9.067 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -3.092 -2.747 10.752 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -2.995 -0.706 12.401 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -3.290 -0.314 8.168 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -3.860 1.582 12.669 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -4.153 1.966 8.432 1.00 0.00 H new ATOM 0 HH TYR A 33 -4.718 3.575 9.823 1.00 0.00 H new ATOM 573 N GLU A 34 -0.100 -0.064 10.813 1.00 0.00 N ATOM 574 CA GLU A 34 0.646 1.153 10.554 1.00 0.00 C ATOM 575 C GLU A 34 2.113 0.820 10.290 1.00 0.00 C ATOM 576 O GLU A 34 2.722 1.318 9.345 1.00 0.00 O ATOM 577 CB GLU A 34 0.526 2.083 11.766 1.00 0.00 C ATOM 578 CG GLU A 34 1.243 3.409 11.612 1.00 0.00 C ATOM 579 CD GLU A 34 0.638 4.271 10.528 1.00 0.00 C ATOM 580 OE1 GLU A 34 1.057 4.139 9.360 1.00 0.00 O ATOM 581 OE2 GLU A 34 -0.238 5.097 10.846 1.00 0.00 O ATOM 0 H GLU A 34 -0.473 -0.129 11.760 1.00 0.00 H new ATOM 0 HA GLU A 34 0.239 1.650 9.674 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -0.530 2.275 11.958 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.921 1.570 12.643 1.00 0.00 H new ATOM 0 HG2 GLU A 34 1.212 3.947 12.559 1.00 0.00 H new ATOM 0 HG3 GLU A 34 2.293 3.226 11.383 1.00 0.00 H new ATOM 588 N THR A 35 2.660 -0.056 11.123 1.00 0.00 N ATOM 589 CA THR A 35 4.066 -0.412 11.055 1.00 0.00 C ATOM 590 C THR A 35 4.396 -1.160 9.761 1.00 0.00 C ATOM 591 O THR A 35 5.295 -0.755 9.024 1.00 0.00 O ATOM 592 CB THR A 35 4.467 -1.272 12.269 1.00 0.00 C ATOM 593 OG1 THR A 35 4.026 -0.636 13.479 1.00 0.00 O ATOM 594 CG2 THR A 35 5.976 -1.476 12.325 1.00 0.00 C ATOM 0 H THR A 35 2.143 -0.536 11.860 1.00 0.00 H new ATOM 0 HA THR A 35 4.637 0.517 11.067 1.00 0.00 H new ATOM 0 HB THR A 35 3.991 -2.247 12.166 1.00 0.00 H new ATOM 0 HG1 THR A 35 4.281 -1.186 14.249 1.00 0.00 H new ATOM 0 HG21 THR A 35 6.229 -2.086 13.192 1.00 0.00 H new ATOM 0 HG22 THR A 35 6.309 -1.979 11.417 1.00 0.00 H new ATOM 0 HG23 THR A 35 6.471 -0.508 12.406 1.00 0.00 H new ATOM 602 N VAL A 36 3.660 -2.237 9.475 1.00 0.00 N ATOM 603 CA VAL A 36 3.940 -3.059 8.295 1.00 0.00 C ATOM 604 C VAL A 36 3.787 -2.261 7.004 1.00 0.00 C ATOM 605 O VAL A 36 4.575 -2.425 6.061 1.00 0.00 O ATOM 606 CB VAL A 36 3.036 -4.316 8.222 1.00 0.00 C ATOM 607 CG1 VAL A 36 3.385 -5.296 9.328 1.00 0.00 C ATOM 608 CG2 VAL A 36 1.562 -3.943 8.288 1.00 0.00 C ATOM 0 H VAL A 36 2.873 -2.558 10.038 1.00 0.00 H new ATOM 0 HA VAL A 36 4.976 -3.383 8.399 1.00 0.00 H new ATOM 0 HB VAL A 36 3.218 -4.798 7.261 1.00 0.00 H new ATOM 0 HG11 VAL A 36 2.738 -6.170 9.257 1.00 0.00 H new ATOM 0 HG12 VAL A 36 4.425 -5.605 9.225 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.243 -4.817 10.297 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.955 -4.847 8.234 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.359 -3.425 9.225 1.00 0.00 H new ATOM 0 HG23 VAL A 36 1.314 -3.290 7.452 1.00 0.00 H new ATOM 618 N LEU A 37 2.788 -1.389 6.979 1.00 0.00 N ATOM 619 CA LEU A 37 2.477 -0.602 5.800 1.00 0.00 C ATOM 620 C LEU A 37 3.655 0.286 5.426 1.00 0.00 C ATOM 621 O LEU A 37 4.276 0.105 4.377 1.00 0.00 O ATOM 622 CB LEU A 37 1.232 0.252 6.058 1.00 0.00 C ATOM 623 CG LEU A 37 0.605 0.895 4.820 1.00 0.00 C ATOM 624 CD1 LEU A 37 0.103 -0.174 3.862 1.00 0.00 C ATOM 625 CD2 LEU A 37 -0.528 1.828 5.227 1.00 0.00 C ATOM 0 H LEU A 37 2.174 -1.210 7.774 1.00 0.00 H new ATOM 0 HA LEU A 37 2.279 -1.279 4.969 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.480 -0.371 6.543 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.494 1.041 6.762 1.00 0.00 H new ATOM 0 HG LEU A 37 1.367 1.481 4.307 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.340 0.301 2.987 1.00 0.00 H new ATOM 0 HD12 LEU A 37 0.936 -0.804 3.550 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.648 -0.787 4.361 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.966 2.279 4.336 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.292 1.262 5.760 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.138 2.612 5.877 1.00 0.00 H new ATOM 637 N ARG A 38 3.989 1.217 6.311 1.00 0.00 N ATOM 638 CA ARG A 38 5.043 2.180 6.031 1.00 0.00 C ATOM 639 C ARG A 38 6.396 1.504 5.860 1.00 0.00 C ATOM 640 O ARG A 38 7.168 1.884 4.985 1.00 0.00 O ATOM 641 CB ARG A 38 5.110 3.262 7.116 1.00 0.00 C ATOM 642 CG ARG A 38 5.300 2.742 8.529 1.00 0.00 C ATOM 643 CD ARG A 38 5.157 3.867 9.542 1.00 0.00 C ATOM 644 NE ARG A 38 3.863 4.546 9.415 1.00 0.00 N ATOM 645 CZ ARG A 38 3.713 5.866 9.282 1.00 0.00 C ATOM 646 NH1 ARG A 38 4.767 6.670 9.278 1.00 0.00 N ATOM 647 NH2 ARG A 38 2.496 6.381 9.160 1.00 0.00 N ATOM 0 H ARG A 38 3.547 1.324 7.224 1.00 0.00 H new ATOM 0 HA ARG A 38 4.793 2.661 5.085 1.00 0.00 H new ATOM 0 HB2 ARG A 38 5.930 3.940 6.881 1.00 0.00 H new ATOM 0 HB3 ARG A 38 4.192 3.848 7.081 1.00 0.00 H new ATOM 0 HG2 ARG A 38 4.566 1.964 8.737 1.00 0.00 H new ATOM 0 HG3 ARG A 38 6.285 2.284 8.624 1.00 0.00 H new ATOM 0 HD2 ARG A 38 5.260 3.465 10.550 1.00 0.00 H new ATOM 0 HD3 ARG A 38 5.962 4.588 9.402 1.00 0.00 H new ATOM 0 HE ARG A 38 3.021 3.971 9.429 1.00 0.00 H new ATOM 0 HH11 ARG A 38 5.705 6.282 9.377 1.00 0.00 H new ATOM 0 HH12 ARG A 38 4.640 7.677 9.176 1.00 0.00 H new ATOM 0 HH21 ARG A 38 1.680 5.769 9.168 1.00 0.00 H new ATOM 0 HH22 ARG A 38 2.377 7.389 9.058 1.00 0.00 H new ATOM 661 N LEU A 39 6.661 0.484 6.667 1.00 0.00 N ATOM 662 CA LEU A 39 7.950 -0.198 6.645 1.00 0.00 C ATOM 663 C LEU A 39 8.247 -0.799 5.274 1.00 0.00 C ATOM 664 O LEU A 39 9.390 -0.779 4.816 1.00 0.00 O ATOM 665 CB LEU A 39 7.984 -1.299 7.709 1.00 0.00 C ATOM 666 CG LEU A 39 9.303 -2.069 7.820 1.00 0.00 C ATOM 667 CD1 LEU A 39 10.430 -1.147 8.262 1.00 0.00 C ATOM 668 CD2 LEU A 39 9.155 -3.237 8.785 1.00 0.00 C ATOM 0 H LEU A 39 5.999 0.110 7.347 1.00 0.00 H new ATOM 0 HA LEU A 39 8.718 0.545 6.862 1.00 0.00 H new ATOM 0 HB2 LEU A 39 7.763 -0.851 8.678 1.00 0.00 H new ATOM 0 HB3 LEU A 39 7.185 -2.010 7.497 1.00 0.00 H new ATOM 0 HG LEU A 39 9.555 -2.464 6.836 1.00 0.00 H new ATOM 0 HD11 LEU A 39 11.358 -1.715 8.334 1.00 0.00 H new ATOM 0 HD12 LEU A 39 10.551 -0.345 7.533 1.00 0.00 H new ATOM 0 HD13 LEU A 39 10.190 -0.719 9.235 1.00 0.00 H new ATOM 0 HD21 LEU A 39 10.101 -3.775 8.853 1.00 0.00 H new ATOM 0 HD22 LEU A 39 8.879 -2.862 9.770 1.00 0.00 H new ATOM 0 HD23 LEU A 39 8.379 -3.912 8.423 1.00 0.00 H new ATOM 680 N HIS A 40 7.226 -1.332 4.616 1.00 0.00 N ATOM 681 CA HIS A 40 7.451 -2.038 3.363 1.00 0.00 C ATOM 682 C HIS A 40 7.121 -1.192 2.131 1.00 0.00 C ATOM 683 O HIS A 40 7.940 -1.074 1.218 1.00 0.00 O ATOM 684 CB HIS A 40 6.649 -3.344 3.331 1.00 0.00 C ATOM 685 CG HIS A 40 7.052 -4.332 4.388 1.00 0.00 C ATOM 686 ND1 HIS A 40 6.361 -4.488 5.571 1.00 0.00 N ATOM 687 CD2 HIS A 40 8.078 -5.219 4.437 1.00 0.00 C ATOM 688 CE1 HIS A 40 6.941 -5.426 6.301 1.00 0.00 C ATOM 689 NE2 HIS A 40 7.983 -5.886 5.635 1.00 0.00 N ATOM 0 H HIS A 40 6.254 -1.291 4.921 1.00 0.00 H new ATOM 0 HA HIS A 40 8.517 -2.260 3.321 1.00 0.00 H new ATOM 0 HB2 HIS A 40 5.591 -3.112 3.449 1.00 0.00 H new ATOM 0 HB3 HIS A 40 6.766 -3.807 2.351 1.00 0.00 H new ATOM 0 HD1 HIS A 40 5.531 -3.961 5.841 1.00 0.00 H new ATOM 0 HD2 HIS A 40 8.829 -5.372 3.676 1.00 0.00 H new ATOM 0 HE1 HIS A 40 6.617 -5.759 7.276 1.00 0.00 H new ATOM 698 N VAL A 41 5.930 -0.607 2.089 1.00 0.00 N ATOM 699 CA VAL A 41 5.437 -0.016 0.844 1.00 0.00 C ATOM 700 C VAL A 41 5.578 1.513 0.785 1.00 0.00 C ATOM 701 O VAL A 41 5.541 2.096 -0.300 1.00 0.00 O ATOM 702 CB VAL A 41 3.967 -0.422 0.583 1.00 0.00 C ATOM 703 CG1 VAL A 41 3.020 0.255 1.561 1.00 0.00 C ATOM 704 CG2 VAL A 41 3.557 -0.128 -0.854 1.00 0.00 C ATOM 0 H VAL A 41 5.296 -0.528 2.884 1.00 0.00 H new ATOM 0 HA VAL A 41 6.075 -0.418 0.057 1.00 0.00 H new ATOM 0 HB VAL A 41 3.898 -1.498 0.740 1.00 0.00 H new ATOM 0 HG11 VAL A 41 1.996 -0.053 1.348 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.282 -0.033 2.579 1.00 0.00 H new ATOM 0 HG13 VAL A 41 3.102 1.337 1.457 1.00 0.00 H new ATOM 0 HG21 VAL A 41 2.519 -0.425 -1.004 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.661 0.939 -1.051 1.00 0.00 H new ATOM 0 HG23 VAL A 41 4.197 -0.687 -1.537 1.00 0.00 H new ATOM 714 N ILE A 42 5.765 2.172 1.923 1.00 0.00 N ATOM 715 CA ILE A 42 5.786 3.632 1.924 1.00 0.00 C ATOM 716 C ILE A 42 7.051 4.220 1.270 1.00 0.00 C ATOM 717 O ILE A 42 6.939 5.105 0.422 1.00 0.00 O ATOM 718 CB ILE A 42 5.548 4.222 3.337 1.00 0.00 C ATOM 719 CG1 ILE A 42 4.040 4.435 3.540 1.00 0.00 C ATOM 720 CG2 ILE A 42 6.324 5.521 3.550 1.00 0.00 C ATOM 721 CD1 ILE A 42 3.678 5.180 4.807 1.00 0.00 C ATOM 0 H ILE A 42 5.901 1.734 2.834 1.00 0.00 H new ATOM 0 HA ILE A 42 4.947 3.937 1.299 1.00 0.00 H new ATOM 0 HB ILE A 42 5.919 3.516 4.080 1.00 0.00 H new ATOM 0 HG12 ILE A 42 3.645 4.984 2.685 1.00 0.00 H new ATOM 0 HG13 ILE A 42 3.547 3.463 3.551 1.00 0.00 H new ATOM 0 HG21 ILE A 42 6.129 5.901 4.553 1.00 0.00 H new ATOM 0 HG22 ILE A 42 7.391 5.330 3.435 1.00 0.00 H new ATOM 0 HG23 ILE A 42 6.006 6.260 2.814 1.00 0.00 H new ATOM 0 HD11 ILE A 42 2.595 5.286 4.870 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.039 4.624 5.672 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.139 6.168 4.793 1.00 0.00 H new ATOM 733 N PRO A 43 8.270 3.751 1.614 1.00 0.00 N ATOM 734 CA PRO A 43 9.497 4.291 1.026 1.00 0.00 C ATOM 735 C PRO A 43 9.735 3.762 -0.384 1.00 0.00 C ATOM 736 O PRO A 43 10.652 4.199 -1.079 1.00 0.00 O ATOM 737 CB PRO A 43 10.608 3.812 1.973 1.00 0.00 C ATOM 738 CG PRO A 43 9.918 3.119 3.104 1.00 0.00 C ATOM 739 CD PRO A 43 8.576 2.697 2.583 1.00 0.00 C ATOM 0 HA PRO A 43 9.454 5.376 0.928 1.00 0.00 H new ATOM 0 HB2 PRO A 43 11.292 3.136 1.461 1.00 0.00 H new ATOM 0 HB3 PRO A 43 11.201 4.652 2.334 1.00 0.00 H new ATOM 0 HG2 PRO A 43 10.493 2.256 3.441 1.00 0.00 H new ATOM 0 HG3 PRO A 43 9.811 3.785 3.961 1.00 0.00 H new ATOM 0 HD2 PRO A 43 8.613 1.713 2.115 1.00 0.00 H new ATOM 0 HD3 PRO A 43 7.830 2.645 3.376 1.00 0.00 H new ATOM 747 N THR A 44 8.904 2.818 -0.800 1.00 0.00 N ATOM 748 CA THR A 44 9.053 2.192 -2.098 1.00 0.00 C ATOM 749 C THR A 44 8.071 2.770 -3.115 1.00 0.00 C ATOM 750 O THR A 44 8.472 3.464 -4.049 1.00 0.00 O ATOM 751 CB THR A 44 8.865 0.668 -1.992 1.00 0.00 C ATOM 752 OG1 THR A 44 7.677 0.372 -1.247 1.00 0.00 O ATOM 753 CG2 THR A 44 10.057 0.023 -1.307 1.00 0.00 C ATOM 0 H THR A 44 8.117 2.470 -0.252 1.00 0.00 H new ATOM 0 HA THR A 44 10.064 2.401 -2.446 1.00 0.00 H new ATOM 0 HB THR A 44 8.778 0.266 -3.002 1.00 0.00 H new ATOM 0 HG1 THR A 44 7.916 -0.109 -0.427 1.00 0.00 H new ATOM 0 HG21 THR A 44 9.901 -1.054 -1.244 1.00 0.00 H new ATOM 0 HG22 THR A 44 10.961 0.226 -1.882 1.00 0.00 H new ATOM 0 HG23 THR A 44 10.166 0.434 -0.303 1.00 0.00 H new ATOM 761 N LEU A 45 6.782 2.521 -2.912 1.00 0.00 N ATOM 762 CA LEU A 45 5.767 2.967 -3.859 1.00 0.00 C ATOM 763 C LEU A 45 5.201 4.323 -3.455 1.00 0.00 C ATOM 764 O LEU A 45 4.306 4.854 -4.108 1.00 0.00 O ATOM 765 CB LEU A 45 4.632 1.942 -3.963 1.00 0.00 C ATOM 766 CG LEU A 45 5.045 0.549 -4.444 1.00 0.00 C ATOM 767 CD1 LEU A 45 3.826 -0.353 -4.566 1.00 0.00 C ATOM 768 CD2 LEU A 45 5.776 0.633 -5.775 1.00 0.00 C ATOM 0 H LEU A 45 6.417 2.016 -2.105 1.00 0.00 H new ATOM 0 HA LEU A 45 6.245 3.065 -4.834 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.163 1.845 -2.984 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.874 2.332 -4.643 1.00 0.00 H new ATOM 0 HG LEU A 45 5.724 0.121 -3.707 1.00 0.00 H new ATOM 0 HD11 LEU A 45 4.137 -1.340 -4.909 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.341 -0.443 -3.594 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.126 0.076 -5.283 1.00 0.00 H new ATOM 0 HD21 LEU A 45 6.060 -0.369 -6.098 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.122 1.083 -6.522 1.00 0.00 H new ATOM 0 HD23 LEU A 45 6.671 1.245 -5.661 1.00 0.00 H new ATOM 780 N GLY A 46 5.748 4.889 -2.389 1.00 0.00 N ATOM 781 CA GLY A 46 5.252 6.151 -1.872 1.00 0.00 C ATOM 782 C GLY A 46 5.538 7.331 -2.784 1.00 0.00 C ATOM 783 O GLY A 46 4.984 8.412 -2.596 1.00 0.00 O ATOM 0 H GLY A 46 6.532 4.495 -1.869 1.00 0.00 H new ATOM 0 HA2 GLY A 46 4.176 6.074 -1.717 1.00 0.00 H new ATOM 0 HA3 GLY A 46 5.702 6.338 -0.897 1.00 0.00 H new ATOM 787 N SER A 47 6.398 7.126 -3.773 1.00 0.00 N ATOM 788 CA SER A 47 6.752 8.187 -4.705 1.00 0.00 C ATOM 789 C SER A 47 5.898 8.097 -5.968 1.00 0.00 C ATOM 790 O SER A 47 6.064 8.884 -6.900 1.00 0.00 O ATOM 791 CB SER A 47 8.242 8.106 -5.059 1.00 0.00 C ATOM 792 OG SER A 47 8.637 9.192 -5.881 1.00 0.00 O ATOM 0 H SER A 47 6.863 6.235 -3.950 1.00 0.00 H new ATOM 0 HA SER A 47 6.559 9.148 -4.228 1.00 0.00 H new ATOM 0 HB2 SER A 47 8.835 8.105 -4.145 1.00 0.00 H new ATOM 0 HB3 SER A 47 8.445 7.166 -5.572 1.00 0.00 H new ATOM 0 HG SER A 47 7.868 9.504 -6.403 1.00 0.00 H new ATOM 798 N ILE A 48 4.984 7.137 -5.993 1.00 0.00 N ATOM 799 CA ILE A 48 4.115 6.940 -7.143 1.00 0.00 C ATOM 800 C ILE A 48 2.709 7.444 -6.833 1.00 0.00 C ATOM 801 O ILE A 48 2.065 6.959 -5.904 1.00 0.00 O ATOM 802 CB ILE A 48 4.052 5.452 -7.559 1.00 0.00 C ATOM 803 CG1 ILE A 48 5.460 4.926 -7.856 1.00 0.00 C ATOM 804 CG2 ILE A 48 3.146 5.268 -8.775 1.00 0.00 C ATOM 805 CD1 ILE A 48 5.500 3.458 -8.224 1.00 0.00 C ATOM 0 H ILE A 48 4.826 6.481 -5.228 1.00 0.00 H new ATOM 0 HA ILE A 48 4.533 7.509 -7.973 1.00 0.00 H new ATOM 0 HB ILE A 48 3.631 4.880 -6.732 1.00 0.00 H new ATOM 0 HG12 ILE A 48 5.890 5.507 -8.672 1.00 0.00 H new ATOM 0 HG13 ILE A 48 6.090 5.089 -6.982 1.00 0.00 H new ATOM 0 HG21 ILE A 48 3.116 4.214 -9.050 1.00 0.00 H new ATOM 0 HG22 ILE A 48 2.139 5.608 -8.533 1.00 0.00 H new ATOM 0 HG23 ILE A 48 3.535 5.850 -9.610 1.00 0.00 H new ATOM 0 HD11 ILE A 48 6.530 3.160 -8.420 1.00 0.00 H new ATOM 0 HD12 ILE A 48 5.101 2.866 -7.401 1.00 0.00 H new ATOM 0 HD13 ILE A 48 4.898 3.290 -9.117 1.00 0.00 H new ATOM 817 N PRO A 49 2.226 8.439 -7.598 1.00 0.00 N ATOM 818 CA PRO A 49 0.884 9.003 -7.410 1.00 0.00 C ATOM 819 C PRO A 49 -0.200 7.930 -7.452 1.00 0.00 C ATOM 820 O PRO A 49 -0.155 7.020 -8.282 1.00 0.00 O ATOM 821 CB PRO A 49 0.729 9.963 -8.590 1.00 0.00 C ATOM 822 CG PRO A 49 2.122 10.324 -8.967 1.00 0.00 C ATOM 823 CD PRO A 49 2.950 9.099 -8.701 1.00 0.00 C ATOM 0 HA PRO A 49 0.777 9.485 -6.438 1.00 0.00 H new ATOM 0 HB2 PRO A 49 0.204 9.490 -9.420 1.00 0.00 H new ATOM 0 HB3 PRO A 49 0.153 10.845 -8.310 1.00 0.00 H new ATOM 0 HG2 PRO A 49 2.180 10.615 -10.016 1.00 0.00 H new ATOM 0 HG3 PRO A 49 2.478 11.171 -8.381 1.00 0.00 H new ATOM 0 HD2 PRO A 49 3.016 8.458 -9.580 1.00 0.00 H new ATOM 0 HD3 PRO A 49 3.970 9.356 -8.417 1.00 0.00 H new ATOM 831 N LEU A 50 -1.182 8.055 -6.566 1.00 0.00 N ATOM 832 CA LEU A 50 -2.235 7.051 -6.425 1.00 0.00 C ATOM 833 C LEU A 50 -2.988 6.825 -7.732 1.00 0.00 C ATOM 834 O LEU A 50 -3.407 5.707 -8.029 1.00 0.00 O ATOM 835 CB LEU A 50 -3.223 7.465 -5.334 1.00 0.00 C ATOM 836 CG LEU A 50 -2.630 7.623 -3.935 1.00 0.00 C ATOM 837 CD1 LEU A 50 -3.711 8.026 -2.950 1.00 0.00 C ATOM 838 CD2 LEU A 50 -1.951 6.336 -3.488 1.00 0.00 C ATOM 0 H LEU A 50 -1.272 8.847 -5.930 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.750 6.115 -6.148 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.682 8.410 -5.624 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.021 6.723 -5.290 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.876 8.410 -3.966 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.276 8.135 -1.957 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.151 8.974 -3.260 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.485 7.259 -2.925 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.536 6.472 -2.489 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.681 5.527 -3.471 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.149 6.087 -4.183 1.00 0.00 H new ATOM 850 N LYS A 51 -3.141 7.880 -8.520 1.00 0.00 N ATOM 851 CA LYS A 51 -3.891 7.791 -9.765 1.00 0.00 C ATOM 852 C LYS A 51 -3.023 7.239 -10.894 1.00 0.00 C ATOM 853 O LYS A 51 -3.491 7.061 -12.019 1.00 0.00 O ATOM 854 CB LYS A 51 -4.460 9.159 -10.145 1.00 0.00 C ATOM 855 CG LYS A 51 -5.406 9.731 -9.100 1.00 0.00 C ATOM 856 CD LYS A 51 -6.031 11.036 -9.561 1.00 0.00 C ATOM 857 CE LYS A 51 -6.950 11.616 -8.498 1.00 0.00 C ATOM 858 NZ LYS A 51 -7.610 12.865 -8.961 1.00 0.00 N ATOM 0 H LYS A 51 -2.758 8.804 -8.321 1.00 0.00 H new ATOM 0 HA LYS A 51 -4.719 7.099 -9.611 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -3.637 9.856 -10.300 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -4.988 9.074 -11.095 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -6.192 9.007 -8.886 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -4.863 9.897 -8.170 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -5.246 11.754 -9.797 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -6.594 10.867 -10.479 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -7.709 10.880 -8.233 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -6.376 11.821 -7.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -8.228 13.230 -8.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -6.886 13.576 -9.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -8.178 12.664 -9.809 1.00 0.00 H new ATOM 872 N LYS A 52 -1.757 6.973 -10.593 1.00 0.00 N ATOM 873 CA LYS A 52 -0.864 6.338 -11.551 1.00 0.00 C ATOM 874 C LYS A 52 -0.590 4.898 -11.131 1.00 0.00 C ATOM 875 O LYS A 52 -0.405 4.020 -11.976 1.00 0.00 O ATOM 876 CB LYS A 52 0.463 7.094 -11.660 1.00 0.00 C ATOM 877 CG LYS A 52 1.417 6.472 -12.668 1.00 0.00 C ATOM 878 CD LYS A 52 2.810 7.068 -12.583 1.00 0.00 C ATOM 879 CE LYS A 52 3.739 6.436 -13.608 1.00 0.00 C ATOM 880 NZ LYS A 52 3.905 4.970 -13.393 1.00 0.00 N ATOM 0 H LYS A 52 -1.327 7.188 -9.693 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.353 6.354 -12.525 1.00 0.00 H new ATOM 0 HB2 LYS A 52 0.264 8.127 -11.945 1.00 0.00 H new ATOM 0 HB3 LYS A 52 0.942 7.120 -10.681 1.00 0.00 H new ATOM 0 HG2 LYS A 52 1.473 5.397 -12.497 1.00 0.00 H new ATOM 0 HG3 LYS A 52 1.023 6.615 -13.674 1.00 0.00 H new ATOM 0 HD2 LYS A 52 2.759 8.144 -12.748 1.00 0.00 H new ATOM 0 HD3 LYS A 52 3.213 6.918 -11.581 1.00 0.00 H new ATOM 0 HE2 LYS A 52 3.345 6.612 -14.609 1.00 0.00 H new ATOM 0 HE3 LYS A 52 4.714 6.921 -13.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 4.703 4.624 -13.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 4.093 4.786 -12.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 3.035 4.477 -13.679 1.00 0.00 H new ATOM 894 N LEU A 53 -0.558 4.684 -9.817 1.00 0.00 N ATOM 895 CA LEU A 53 -0.243 3.385 -9.221 1.00 0.00 C ATOM 896 C LEU A 53 -1.054 2.264 -9.873 1.00 0.00 C ATOM 897 O LEU A 53 -2.287 2.261 -9.828 1.00 0.00 O ATOM 898 CB LEU A 53 -0.507 3.454 -7.705 1.00 0.00 C ATOM 899 CG LEU A 53 0.021 2.289 -6.851 1.00 0.00 C ATOM 900 CD1 LEU A 53 -0.881 1.070 -6.961 1.00 0.00 C ATOM 901 CD2 LEU A 53 1.451 1.938 -7.240 1.00 0.00 C ATOM 0 H LEU A 53 -0.751 5.412 -9.130 1.00 0.00 H new ATOM 0 HA LEU A 53 0.809 3.156 -9.394 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.069 4.377 -7.326 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.584 3.526 -7.551 1.00 0.00 H new ATOM 0 HG LEU A 53 0.018 2.613 -5.810 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.480 0.264 -6.346 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.883 1.326 -6.616 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.928 0.744 -8.000 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.804 1.112 -6.623 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.481 1.646 -8.290 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.093 2.805 -7.086 1.00 0.00 H new ATOM 913 N GLN A 54 -0.346 1.324 -10.488 1.00 0.00 N ATOM 914 CA GLN A 54 -0.976 0.203 -11.166 1.00 0.00 C ATOM 915 C GLN A 54 -0.740 -1.090 -10.393 1.00 0.00 C ATOM 916 O GLN A 54 0.160 -1.161 -9.555 1.00 0.00 O ATOM 917 CB GLN A 54 -0.424 0.052 -12.588 1.00 0.00 C ATOM 918 CG GLN A 54 -0.729 1.226 -13.501 1.00 0.00 C ATOM 919 CD GLN A 54 -0.290 0.968 -14.928 1.00 0.00 C ATOM 920 OE1 GLN A 54 0.840 1.269 -15.308 1.00 0.00 O ATOM 921 NE2 GLN A 54 -1.180 0.405 -15.729 1.00 0.00 N ATOM 0 H GLN A 54 0.673 1.319 -10.530 1.00 0.00 H new ATOM 0 HA GLN A 54 -2.047 0.401 -11.218 1.00 0.00 H new ATOM 0 HB2 GLN A 54 0.657 -0.081 -12.534 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -0.835 -0.855 -13.031 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -1.800 1.430 -13.483 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -0.228 2.118 -13.124 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -2.108 0.170 -15.376 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -0.938 0.206 -16.700 1.00 0.00 H new ATOM 930 N PRO A 55 -1.548 -2.130 -10.662 1.00 0.00 N ATOM 931 CA PRO A 55 -1.378 -3.448 -10.041 1.00 0.00 C ATOM 932 C PRO A 55 0.011 -4.028 -10.294 1.00 0.00 C ATOM 933 O PRO A 55 0.552 -4.753 -9.459 1.00 0.00 O ATOM 934 CB PRO A 55 -2.441 -4.312 -10.724 1.00 0.00 C ATOM 935 CG PRO A 55 -3.457 -3.347 -11.226 1.00 0.00 C ATOM 936 CD PRO A 55 -2.701 -2.102 -11.583 1.00 0.00 C ATOM 0 HA PRO A 55 -1.482 -3.400 -8.957 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -2.012 -4.894 -11.540 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -2.882 -5.022 -10.024 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -3.981 -3.748 -12.094 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -4.210 -3.142 -10.465 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -2.383 -2.109 -12.626 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -3.308 -1.208 -11.441 1.00 0.00 H new ATOM 944 N ALA A 56 0.584 -3.699 -11.451 1.00 0.00 N ATOM 945 CA ALA A 56 1.923 -4.152 -11.807 1.00 0.00 C ATOM 946 C ALA A 56 2.959 -3.635 -10.813 1.00 0.00 C ATOM 947 O ALA A 56 3.863 -4.368 -10.411 1.00 0.00 O ATOM 948 CB ALA A 56 2.276 -3.708 -13.219 1.00 0.00 C ATOM 0 H ALA A 56 0.137 -3.117 -12.159 1.00 0.00 H new ATOM 0 HA ALA A 56 1.932 -5.241 -11.770 1.00 0.00 H new ATOM 0 HB1 ALA A 56 3.279 -4.054 -13.469 1.00 0.00 H new ATOM 0 HB2 ALA A 56 1.560 -4.131 -13.923 1.00 0.00 H new ATOM 0 HB3 ALA A 56 2.243 -2.620 -13.277 1.00 0.00 H new ATOM 954 N ASP A 57 2.811 -2.377 -10.407 1.00 0.00 N ATOM 955 CA ASP A 57 3.726 -1.768 -9.445 1.00 0.00 C ATOM 956 C ASP A 57 3.648 -2.501 -8.112 1.00 0.00 C ATOM 957 O ASP A 57 4.663 -2.743 -7.456 1.00 0.00 O ATOM 958 CB ASP A 57 3.394 -0.284 -9.230 1.00 0.00 C ATOM 959 CG ASP A 57 3.542 0.552 -10.485 1.00 0.00 C ATOM 960 OD1 ASP A 57 4.683 0.926 -10.829 1.00 0.00 O ATOM 961 OD2 ASP A 57 2.513 0.847 -11.134 1.00 0.00 O ATOM 0 H ASP A 57 2.066 -1.759 -10.729 1.00 0.00 H new ATOM 0 HA ASP A 57 4.736 -1.845 -9.848 1.00 0.00 H new ATOM 0 HB2 ASP A 57 2.371 -0.197 -8.863 1.00 0.00 H new ATOM 0 HB3 ASP A 57 4.046 0.118 -8.455 1.00 0.00 H new ATOM 966 N ILE A 58 2.431 -2.865 -7.730 1.00 0.00 N ATOM 967 CA ILE A 58 2.194 -3.577 -6.482 1.00 0.00 C ATOM 968 C ILE A 58 2.778 -4.988 -6.537 1.00 0.00 C ATOM 969 O ILE A 58 3.407 -5.449 -5.582 1.00 0.00 O ATOM 970 CB ILE A 58 0.687 -3.663 -6.163 1.00 0.00 C ATOM 971 CG1 ILE A 58 0.058 -2.270 -6.173 1.00 0.00 C ATOM 972 CG2 ILE A 58 0.465 -4.330 -4.815 1.00 0.00 C ATOM 973 CD1 ILE A 58 -1.431 -2.281 -5.901 1.00 0.00 C ATOM 0 H ILE A 58 1.587 -2.677 -8.271 1.00 0.00 H new ATOM 0 HA ILE A 58 2.691 -3.013 -5.693 1.00 0.00 H new ATOM 0 HB ILE A 58 0.208 -4.267 -6.933 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.552 -1.651 -5.424 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.240 -1.804 -7.142 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.604 -4.382 -4.606 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.880 -5.338 -4.835 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.959 -3.749 -4.036 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -1.812 -1.260 -5.923 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -1.936 -2.873 -6.664 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.618 -2.717 -4.920 1.00 0.00 H new ATOM 985 N GLN A 59 2.570 -5.670 -7.660 1.00 0.00 N ATOM 986 CA GLN A 59 3.109 -7.011 -7.854 1.00 0.00 C ATOM 987 C GLN A 59 4.635 -6.981 -7.815 1.00 0.00 C ATOM 988 O GLN A 59 5.267 -7.837 -7.196 1.00 0.00 O ATOM 989 CB GLN A 59 2.616 -7.596 -9.182 1.00 0.00 C ATOM 990 CG GLN A 59 3.188 -8.970 -9.500 1.00 0.00 C ATOM 991 CD GLN A 59 2.657 -9.536 -10.802 1.00 0.00 C ATOM 992 OE1 GLN A 59 3.214 -9.287 -11.873 1.00 0.00 O ATOM 993 NE2 GLN A 59 1.593 -10.314 -10.722 1.00 0.00 N ATOM 0 H GLN A 59 2.031 -5.315 -8.450 1.00 0.00 H new ATOM 0 HA GLN A 59 2.756 -7.649 -7.044 1.00 0.00 H new ATOM 0 HB2 GLN A 59 1.528 -7.663 -9.157 1.00 0.00 H new ATOM 0 HB3 GLN A 59 2.875 -6.910 -9.988 1.00 0.00 H new ATOM 0 HG2 GLN A 59 4.275 -8.903 -9.554 1.00 0.00 H new ATOM 0 HG3 GLN A 59 2.950 -9.655 -8.687 1.00 0.00 H new ATOM 0 HE21 GLN A 59 1.161 -10.496 -9.816 1.00 0.00 H new ATOM 0 HE22 GLN A 59 1.203 -10.733 -11.566 1.00 0.00 H new ATOM 1002 N ARG A 60 5.213 -5.976 -8.469 1.00 0.00 N ATOM 1003 CA ARG A 60 6.657 -5.763 -8.449 1.00 0.00 C ATOM 1004 C ARG A 60 7.151 -5.591 -7.014 1.00 0.00 C ATOM 1005 O ARG A 60 8.192 -6.129 -6.634 1.00 0.00 O ATOM 1006 CB ARG A 60 7.006 -4.519 -9.270 1.00 0.00 C ATOM 1007 CG ARG A 60 8.483 -4.150 -9.261 1.00 0.00 C ATOM 1008 CD ARG A 60 9.287 -4.936 -10.288 1.00 0.00 C ATOM 1009 NE ARG A 60 9.385 -6.363 -9.978 1.00 0.00 N ATOM 1010 CZ ARG A 60 10.501 -6.958 -9.552 1.00 0.00 C ATOM 1011 NH1 ARG A 60 11.574 -6.232 -9.251 1.00 0.00 N ATOM 1012 NH2 ARG A 60 10.538 -8.277 -9.408 1.00 0.00 N ATOM 0 H ARG A 60 4.698 -5.292 -9.023 1.00 0.00 H new ATOM 0 HA ARG A 60 7.146 -6.634 -8.884 1.00 0.00 H new ATOM 0 HB2 ARG A 60 6.691 -4.680 -10.301 1.00 0.00 H new ATOM 0 HB3 ARG A 60 6.431 -3.675 -8.889 1.00 0.00 H new ATOM 0 HG2 ARG A 60 8.589 -3.084 -9.460 1.00 0.00 H new ATOM 0 HG3 ARG A 60 8.893 -4.331 -8.267 1.00 0.00 H new ATOM 0 HD2 ARG A 60 8.827 -4.815 -11.269 1.00 0.00 H new ATOM 0 HD3 ARG A 60 10.291 -4.516 -10.352 1.00 0.00 H new ATOM 0 HE ARG A 60 8.550 -6.937 -10.095 1.00 0.00 H new ATOM 0 HH11 ARG A 60 11.546 -5.217 -9.345 1.00 0.00 H new ATOM 0 HH12 ARG A 60 12.425 -6.690 -8.926 1.00 0.00 H new ATOM 0 HH21 ARG A 60 9.713 -8.837 -9.623 1.00 0.00 H new ATOM 0 HH22 ARG A 60 11.392 -8.731 -9.082 1.00 0.00 H new ATOM 1026 N LEU A 61 6.390 -4.828 -6.232 1.00 0.00 N ATOM 1027 CA LEU A 61 6.696 -4.602 -4.824 1.00 0.00 C ATOM 1028 C LEU A 61 6.778 -5.936 -4.088 1.00 0.00 C ATOM 1029 O LEU A 61 7.790 -6.245 -3.457 1.00 0.00 O ATOM 1030 CB LEU A 61 5.621 -3.694 -4.197 1.00 0.00 C ATOM 1031 CG LEU A 61 5.942 -3.086 -2.820 1.00 0.00 C ATOM 1032 CD1 LEU A 61 5.848 -4.121 -1.707 1.00 0.00 C ATOM 1033 CD2 LEU A 61 7.321 -2.452 -2.839 1.00 0.00 C ATOM 0 H LEU A 61 5.548 -4.352 -6.556 1.00 0.00 H new ATOM 0 HA LEU A 61 7.662 -4.104 -4.738 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.420 -2.877 -4.890 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.700 -4.270 -4.107 1.00 0.00 H new ATOM 0 HG LEU A 61 5.196 -2.318 -2.614 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.082 -3.651 -0.752 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.837 -4.528 -1.673 1.00 0.00 H new ATOM 0 HD13 LEU A 61 6.557 -4.926 -1.898 1.00 0.00 H new ATOM 0 HD21 LEU A 61 7.539 -2.025 -1.860 1.00 0.00 H new ATOM 0 HD22 LEU A 61 8.067 -3.210 -3.078 1.00 0.00 H new ATOM 0 HD23 LEU A 61 7.349 -1.665 -3.593 1.00 0.00 H new ATOM 1045 N TYR A 62 5.715 -6.730 -4.189 1.00 0.00 N ATOM 1046 CA TYR A 62 5.663 -8.023 -3.514 1.00 0.00 C ATOM 1047 C TYR A 62 6.804 -8.920 -3.968 1.00 0.00 C ATOM 1048 O TYR A 62 7.488 -9.525 -3.147 1.00 0.00 O ATOM 1049 CB TYR A 62 4.330 -8.728 -3.773 1.00 0.00 C ATOM 1050 CG TYR A 62 3.130 -8.011 -3.199 1.00 0.00 C ATOM 1051 CD1 TYR A 62 3.195 -7.381 -1.962 1.00 0.00 C ATOM 1052 CD2 TYR A 62 1.929 -7.976 -3.890 1.00 0.00 C ATOM 1053 CE1 TYR A 62 2.095 -6.731 -1.434 1.00 0.00 C ATOM 1054 CE2 TYR A 62 0.827 -7.329 -3.370 1.00 0.00 C ATOM 1055 CZ TYR A 62 0.916 -6.709 -2.143 1.00 0.00 C ATOM 1056 OH TYR A 62 -0.180 -6.061 -1.626 1.00 0.00 O ATOM 0 H TYR A 62 4.881 -6.501 -4.730 1.00 0.00 H new ATOM 0 HA TYR A 62 5.761 -7.834 -2.445 1.00 0.00 H new ATOM 0 HB2 TYR A 62 4.193 -8.839 -4.849 1.00 0.00 H new ATOM 0 HB3 TYR A 62 4.375 -9.733 -3.352 1.00 0.00 H new ATOM 0 HD1 TYR A 62 4.120 -7.399 -1.404 1.00 0.00 H new ATOM 0 HD2 TYR A 62 1.855 -8.463 -4.851 1.00 0.00 H new ATOM 0 HE1 TYR A 62 2.161 -6.244 -0.472 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -0.101 -7.309 -3.922 1.00 0.00 H new ATOM 0 HH TYR A 62 -0.845 -5.928 -2.333 1.00 0.00 H new ATOM 1066 N ALA A 63 7.010 -8.984 -5.278 1.00 0.00 N ATOM 1067 CA ALA A 63 8.032 -9.846 -5.856 1.00 0.00 C ATOM 1068 C ALA A 63 9.424 -9.464 -5.368 1.00 0.00 C ATOM 1069 O ALA A 63 10.176 -10.313 -4.888 1.00 0.00 O ATOM 1070 CB ALA A 63 7.969 -9.791 -7.374 1.00 0.00 C ATOM 0 H ALA A 63 6.479 -8.446 -5.963 1.00 0.00 H new ATOM 0 HA ALA A 63 7.834 -10.867 -5.529 1.00 0.00 H new ATOM 0 HB1 ALA A 63 8.738 -10.440 -7.794 1.00 0.00 H new ATOM 0 HB2 ALA A 63 6.988 -10.127 -7.710 1.00 0.00 H new ATOM 0 HB3 ALA A 63 8.136 -8.767 -7.708 1.00 0.00 H new ATOM 1076 N SER A 64 9.749 -8.182 -5.474 1.00 0.00 N ATOM 1077 CA SER A 64 11.073 -7.694 -5.112 1.00 0.00 C ATOM 1078 C SER A 64 11.330 -7.853 -3.612 1.00 0.00 C ATOM 1079 O SER A 64 12.436 -8.199 -3.196 1.00 0.00 O ATOM 1080 CB SER A 64 11.221 -6.224 -5.524 1.00 0.00 C ATOM 1081 OG SER A 64 12.524 -5.734 -5.248 1.00 0.00 O ATOM 0 H SER A 64 9.112 -7.460 -5.809 1.00 0.00 H new ATOM 0 HA SER A 64 11.814 -8.291 -5.644 1.00 0.00 H new ATOM 0 HB2 SER A 64 11.010 -6.121 -6.588 1.00 0.00 H new ATOM 0 HB3 SER A 64 10.485 -5.621 -4.993 1.00 0.00 H new ATOM 0 HG SER A 64 12.586 -4.796 -5.524 1.00 0.00 H new ATOM 1087 N LYS A 65 10.312 -7.611 -2.799 1.00 0.00 N ATOM 1088 CA LYS A 65 10.475 -7.692 -1.353 1.00 0.00 C ATOM 1089 C LYS A 65 10.470 -9.138 -0.872 1.00 0.00 C ATOM 1090 O LYS A 65 11.211 -9.489 0.047 1.00 0.00 O ATOM 1091 CB LYS A 65 9.408 -6.869 -0.627 1.00 0.00 C ATOM 1092 CG LYS A 65 9.813 -5.418 -0.412 1.00 0.00 C ATOM 1093 CD LYS A 65 10.030 -4.690 -1.728 1.00 0.00 C ATOM 1094 CE LYS A 65 10.803 -3.397 -1.532 1.00 0.00 C ATOM 1095 NZ LYS A 65 12.202 -3.649 -1.098 1.00 0.00 N ATOM 0 H LYS A 65 9.374 -7.360 -3.110 1.00 0.00 H new ATOM 0 HA LYS A 65 11.448 -7.266 -1.111 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.482 -6.900 -1.201 1.00 0.00 H new ATOM 0 HB3 LYS A 65 9.199 -7.328 0.339 1.00 0.00 H new ATOM 0 HG2 LYS A 65 9.041 -4.907 0.163 1.00 0.00 H new ATOM 0 HG3 LYS A 65 10.728 -5.380 0.179 1.00 0.00 H new ATOM 0 HD2 LYS A 65 10.572 -5.337 -2.417 1.00 0.00 H new ATOM 0 HD3 LYS A 65 9.066 -4.472 -2.187 1.00 0.00 H new ATOM 0 HE2 LYS A 65 10.808 -2.832 -2.464 1.00 0.00 H new ATOM 0 HE3 LYS A 65 10.297 -2.781 -0.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 12.787 -2.817 -1.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 12.220 -3.831 -0.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 12.579 -4.476 -1.603 1.00 0.00 H new ATOM 1109 N LEU A 66 9.650 -9.977 -1.496 1.00 0.00 N ATOM 1110 CA LEU A 66 9.651 -11.406 -1.200 1.00 0.00 C ATOM 1111 C LEU A 66 11.026 -11.983 -1.498 1.00 0.00 C ATOM 1112 O LEU A 66 11.574 -12.763 -0.716 1.00 0.00 O ATOM 1113 CB LEU A 66 8.585 -12.132 -2.029 1.00 0.00 C ATOM 1114 CG LEU A 66 8.501 -13.645 -1.814 1.00 0.00 C ATOM 1115 CD1 LEU A 66 8.082 -13.967 -0.388 1.00 0.00 C ATOM 1116 CD2 LEU A 66 7.529 -14.267 -2.804 1.00 0.00 C ATOM 0 H LEU A 66 8.977 -9.694 -2.208 1.00 0.00 H new ATOM 0 HA LEU A 66 9.417 -11.548 -0.145 1.00 0.00 H new ATOM 0 HB2 LEU A 66 7.613 -11.696 -1.801 1.00 0.00 H new ATOM 0 HB3 LEU A 66 8.779 -11.943 -3.085 1.00 0.00 H new ATOM 0 HG LEU A 66 9.491 -14.068 -1.982 1.00 0.00 H new ATOM 0 HD11 LEU A 66 8.029 -15.048 -0.260 1.00 0.00 H new ATOM 0 HD12 LEU A 66 8.812 -13.554 0.308 1.00 0.00 H new ATOM 0 HD13 LEU A 66 7.104 -13.530 -0.189 1.00 0.00 H new ATOM 0 HD21 LEU A 66 7.480 -15.343 -2.639 1.00 0.00 H new ATOM 0 HD22 LEU A 66 6.539 -13.833 -2.664 1.00 0.00 H new ATOM 0 HD23 LEU A 66 7.870 -14.071 -3.821 1.00 0.00 H new ATOM 1128 N GLU A 67 11.584 -11.557 -2.625 1.00 0.00 N ATOM 1129 CA GLU A 67 12.920 -11.959 -3.050 1.00 0.00 C ATOM 1130 C GLU A 67 13.972 -11.551 -2.016 1.00 0.00 C ATOM 1131 O GLU A 67 14.988 -12.224 -1.843 1.00 0.00 O ATOM 1132 CB GLU A 67 13.233 -11.306 -4.396 1.00 0.00 C ATOM 1133 CG GLU A 67 14.578 -11.688 -4.983 1.00 0.00 C ATOM 1134 CD GLU A 67 14.882 -10.903 -6.238 1.00 0.00 C ATOM 1135 OE1 GLU A 67 14.414 -11.303 -7.321 1.00 0.00 O ATOM 1136 OE2 GLU A 67 15.577 -9.869 -6.140 1.00 0.00 O ATOM 0 H GLU A 67 11.120 -10.920 -3.273 1.00 0.00 H new ATOM 0 HA GLU A 67 12.947 -13.044 -3.147 1.00 0.00 H new ATOM 0 HB2 GLU A 67 12.451 -11.575 -5.106 1.00 0.00 H new ATOM 0 HB3 GLU A 67 13.197 -10.223 -4.277 1.00 0.00 H new ATOM 0 HG2 GLU A 67 15.361 -11.512 -4.245 1.00 0.00 H new ATOM 0 HG3 GLU A 67 14.587 -12.754 -5.209 1.00 0.00 H new ATOM 1143 N SER A 68 13.711 -10.451 -1.320 1.00 0.00 N ATOM 1144 CA SER A 68 14.650 -9.922 -0.341 1.00 0.00 C ATOM 1145 C SER A 68 14.611 -10.736 0.955 1.00 0.00 C ATOM 1146 O SER A 68 15.459 -10.558 1.831 1.00 0.00 O ATOM 1147 CB SER A 68 14.343 -8.448 -0.058 1.00 0.00 C ATOM 1148 OG SER A 68 15.358 -7.851 0.734 1.00 0.00 O ATOM 0 H SER A 68 12.854 -9.907 -1.417 1.00 0.00 H new ATOM 0 HA SER A 68 15.655 -9.999 -0.755 1.00 0.00 H new ATOM 0 HB2 SER A 68 14.249 -7.907 -1.000 1.00 0.00 H new ATOM 0 HB3 SER A 68 13.384 -8.366 0.454 1.00 0.00 H new ATOM 0 HG SER A 68 15.705 -8.509 1.372 1.00 0.00 H new ATOM 1154 N GLY A 69 13.630 -11.623 1.074 1.00 0.00 N ATOM 1155 CA GLY A 69 13.550 -12.475 2.243 1.00 0.00 C ATOM 1156 C GLY A 69 12.312 -12.223 3.079 1.00 0.00 C ATOM 1157 O GLY A 69 12.405 -12.004 4.291 1.00 0.00 O ATOM 0 H GLY A 69 12.892 -11.766 0.385 1.00 0.00 H new ATOM 0 HA2 GLY A 69 13.561 -13.518 1.926 1.00 0.00 H new ATOM 0 HA3 GLY A 69 14.435 -12.320 2.860 1.00 0.00 H new ATOM 1161 N LEU A 70 11.153 -12.238 2.439 1.00 0.00 N ATOM 1162 CA LEU A 70 9.890 -12.131 3.155 1.00 0.00 C ATOM 1163 C LEU A 70 9.275 -13.507 3.352 1.00 0.00 C ATOM 1164 O LEU A 70 9.511 -14.419 2.558 1.00 0.00 O ATOM 1165 CB LEU A 70 8.891 -11.252 2.401 1.00 0.00 C ATOM 1166 CG LEU A 70 9.135 -9.746 2.469 1.00 0.00 C ATOM 1167 CD1 LEU A 70 8.034 -9.003 1.730 1.00 0.00 C ATOM 1168 CD2 LEU A 70 9.200 -9.282 3.911 1.00 0.00 C ATOM 0 H LEU A 70 11.060 -12.323 1.427 1.00 0.00 H new ATOM 0 HA LEU A 70 10.105 -11.675 4.121 1.00 0.00 H new ATOM 0 HB2 LEU A 70 8.892 -11.553 1.353 1.00 0.00 H new ATOM 0 HB3 LEU A 70 7.893 -11.456 2.790 1.00 0.00 H new ATOM 0 HG LEU A 70 10.090 -9.529 1.992 1.00 0.00 H new ATOM 0 HD11 LEU A 70 8.219 -7.930 1.785 1.00 0.00 H new ATOM 0 HD12 LEU A 70 8.021 -9.316 0.686 1.00 0.00 H new ATOM 0 HD13 LEU A 70 7.071 -9.230 2.188 1.00 0.00 H new ATOM 0 HD21 LEU A 70 9.374 -8.206 3.940 1.00 0.00 H new ATOM 0 HD22 LEU A 70 8.258 -9.510 4.409 1.00 0.00 H new ATOM 0 HD23 LEU A 70 10.015 -9.795 4.422 1.00 0.00 H new ATOM 1180 N SER A 71 8.492 -13.653 4.407 1.00 0.00 N ATOM 1181 CA SER A 71 7.717 -14.862 4.601 1.00 0.00 C ATOM 1182 C SER A 71 6.354 -14.680 3.939 1.00 0.00 C ATOM 1183 O SER A 71 5.742 -13.615 4.067 1.00 0.00 O ATOM 1184 CB SER A 71 7.562 -15.167 6.093 1.00 0.00 C ATOM 1185 OG SER A 71 7.071 -16.480 6.299 1.00 0.00 O ATOM 0 H SER A 71 8.378 -12.951 5.139 1.00 0.00 H new ATOM 0 HA SER A 71 8.232 -15.707 4.145 1.00 0.00 H new ATOM 0 HB2 SER A 71 8.524 -15.053 6.592 1.00 0.00 H new ATOM 0 HB3 SER A 71 6.881 -14.446 6.545 1.00 0.00 H new ATOM 0 HG SER A 71 6.136 -16.438 6.591 1.00 0.00 H new ATOM 1191 N PRO A 72 5.871 -15.704 3.211 1.00 0.00 N ATOM 1192 CA PRO A 72 4.607 -15.632 2.465 1.00 0.00 C ATOM 1193 C PRO A 72 3.440 -15.147 3.322 1.00 0.00 C ATOM 1194 O PRO A 72 2.551 -14.453 2.834 1.00 0.00 O ATOM 1195 CB PRO A 72 4.380 -17.075 2.014 1.00 0.00 C ATOM 1196 CG PRO A 72 5.745 -17.667 1.946 1.00 0.00 C ATOM 1197 CD PRO A 72 6.528 -17.016 3.051 1.00 0.00 C ATOM 0 HA PRO A 72 4.663 -14.916 1.645 1.00 0.00 H new ATOM 0 HB2 PRO A 72 3.748 -17.616 2.719 1.00 0.00 H new ATOM 0 HB3 PRO A 72 3.882 -17.114 1.045 1.00 0.00 H new ATOM 0 HG2 PRO A 72 5.709 -18.749 2.077 1.00 0.00 H new ATOM 0 HG3 PRO A 72 6.206 -17.478 0.976 1.00 0.00 H new ATOM 0 HD2 PRO A 72 6.487 -17.600 3.970 1.00 0.00 H new ATOM 0 HD3 PRO A 72 7.580 -16.909 2.788 1.00 0.00 H new ATOM 1205 N THR A 73 3.464 -15.500 4.600 1.00 0.00 N ATOM 1206 CA THR A 73 2.426 -15.101 5.539 1.00 0.00 C ATOM 1207 C THR A 73 2.335 -13.580 5.655 1.00 0.00 C ATOM 1208 O THR A 73 1.240 -13.004 5.631 1.00 0.00 O ATOM 1209 CB THR A 73 2.710 -15.699 6.923 1.00 0.00 C ATOM 1210 OG1 THR A 73 4.089 -15.486 7.251 1.00 0.00 O ATOM 1211 CG2 THR A 73 2.398 -17.187 6.950 1.00 0.00 C ATOM 0 H THR A 73 4.202 -16.070 5.014 1.00 0.00 H new ATOM 0 HA THR A 73 1.475 -15.477 5.162 1.00 0.00 H new ATOM 0 HB THR A 73 2.071 -15.207 7.656 1.00 0.00 H new ATOM 0 HG1 THR A 73 4.277 -15.864 8.135 1.00 0.00 H new ATOM 0 HG21 THR A 73 2.608 -17.585 7.943 1.00 0.00 H new ATOM 0 HG22 THR A 73 1.346 -17.342 6.712 1.00 0.00 H new ATOM 0 HG23 THR A 73 3.016 -17.702 6.214 1.00 0.00 H new ATOM 1219 N ARG A 74 3.491 -12.933 5.764 1.00 0.00 N ATOM 1220 CA ARG A 74 3.541 -11.484 5.899 1.00 0.00 C ATOM 1221 C ARG A 74 3.162 -10.821 4.586 1.00 0.00 C ATOM 1222 O ARG A 74 2.445 -9.826 4.580 1.00 0.00 O ATOM 1223 CB ARG A 74 4.922 -11.002 6.361 1.00 0.00 C ATOM 1224 CG ARG A 74 5.212 -11.282 7.830 1.00 0.00 C ATOM 1225 CD ARG A 74 5.524 -12.747 8.081 1.00 0.00 C ATOM 1226 NE ARG A 74 5.576 -13.060 9.507 1.00 0.00 N ATOM 1227 CZ ARG A 74 6.702 -13.205 10.200 1.00 0.00 C ATOM 1228 NH1 ARG A 74 7.877 -12.975 9.629 1.00 0.00 N ATOM 1229 NH2 ARG A 74 6.651 -13.565 11.476 1.00 0.00 N ATOM 0 H ARG A 74 4.403 -13.389 5.761 1.00 0.00 H new ATOM 0 HA ARG A 74 2.821 -11.198 6.666 1.00 0.00 H new ATOM 0 HB2 ARG A 74 5.687 -11.483 5.751 1.00 0.00 H new ATOM 0 HB3 ARG A 74 5.000 -9.929 6.183 1.00 0.00 H new ATOM 0 HG2 ARG A 74 6.054 -10.671 8.156 1.00 0.00 H new ATOM 0 HG3 ARG A 74 4.352 -10.986 8.432 1.00 0.00 H new ATOM 0 HD2 ARG A 74 4.766 -13.366 7.602 1.00 0.00 H new ATOM 0 HD3 ARG A 74 6.479 -12.998 7.620 1.00 0.00 H new ATOM 0 HE ARG A 74 4.692 -13.175 10.003 1.00 0.00 H new ATOM 0 HH11 ARG A 74 7.921 -12.685 8.652 1.00 0.00 H new ATOM 0 HH12 ARG A 74 8.736 -13.088 10.167 1.00 0.00 H new ATOM 0 HH21 ARG A 74 5.749 -13.730 11.924 1.00 0.00 H new ATOM 0 HH22 ARG A 74 7.513 -13.677 12.009 1.00 0.00 H new ATOM 1243 N VAL A 75 3.626 -11.396 3.478 1.00 0.00 N ATOM 1244 CA VAL A 75 3.300 -10.886 2.146 1.00 0.00 C ATOM 1245 C VAL A 75 1.788 -10.825 1.956 1.00 0.00 C ATOM 1246 O VAL A 75 1.259 -9.871 1.381 1.00 0.00 O ATOM 1247 CB VAL A 75 3.921 -11.763 1.036 1.00 0.00 C ATOM 1248 CG1 VAL A 75 3.621 -11.191 -0.344 1.00 0.00 C ATOM 1249 CG2 VAL A 75 5.421 -11.896 1.241 1.00 0.00 C ATOM 0 H VAL A 75 4.231 -12.218 3.476 1.00 0.00 H new ATOM 0 HA VAL A 75 3.720 -9.883 2.069 1.00 0.00 H new ATOM 0 HB VAL A 75 3.471 -12.754 1.097 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.069 -11.827 -1.107 1.00 0.00 H new ATOM 0 HG12 VAL A 75 2.542 -11.150 -0.494 1.00 0.00 H new ATOM 0 HG13 VAL A 75 4.036 -10.186 -0.420 1.00 0.00 H new ATOM 0 HG21 VAL A 75 5.843 -12.517 0.450 1.00 0.00 H new ATOM 0 HG22 VAL A 75 5.881 -10.908 1.211 1.00 0.00 H new ATOM 0 HG23 VAL A 75 5.616 -12.358 2.209 1.00 0.00 H new ATOM 1259 N ARG A 76 1.099 -11.844 2.459 1.00 0.00 N ATOM 1260 CA ARG A 76 -0.354 -11.885 2.402 1.00 0.00 C ATOM 1261 C ARG A 76 -0.953 -10.736 3.206 1.00 0.00 C ATOM 1262 O ARG A 76 -1.859 -10.051 2.734 1.00 0.00 O ATOM 1263 CB ARG A 76 -0.887 -13.215 2.938 1.00 0.00 C ATOM 1264 CG ARG A 76 -0.382 -14.431 2.184 1.00 0.00 C ATOM 1265 CD ARG A 76 -1.023 -15.704 2.702 1.00 0.00 C ATOM 1266 NE ARG A 76 -0.398 -16.902 2.148 1.00 0.00 N ATOM 1267 CZ ARG A 76 -0.985 -17.714 1.271 1.00 0.00 C ATOM 1268 NH1 ARG A 76 -2.182 -17.418 0.776 1.00 0.00 N ATOM 1269 NH2 ARG A 76 -0.360 -18.815 0.881 1.00 0.00 N ATOM 0 H ARG A 76 1.526 -12.653 2.911 1.00 0.00 H new ATOM 0 HA ARG A 76 -0.648 -11.785 1.357 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -0.609 -13.310 3.988 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -1.976 -13.201 2.897 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -0.598 -14.319 1.122 1.00 0.00 H new ATOM 0 HG3 ARG A 76 0.701 -14.500 2.284 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -0.951 -15.729 3.789 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -2.084 -15.702 2.453 1.00 0.00 H new ATOM 0 HE ARG A 76 0.548 -17.131 2.452 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -2.657 -16.564 1.067 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -2.625 -18.045 0.105 1.00 0.00 H new ATOM 0 HH21 ARG A 76 0.564 -19.036 1.252 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -0.803 -19.442 0.210 1.00 0.00 H new ATOM 1283 N TYR A 77 -0.433 -10.520 4.411 1.00 0.00 N ATOM 1284 CA TYR A 77 -0.963 -9.479 5.284 1.00 0.00 C ATOM 1285 C TYR A 77 -0.676 -8.090 4.717 1.00 0.00 C ATOM 1286 O TYR A 77 -1.490 -7.179 4.861 1.00 0.00 O ATOM 1287 CB TYR A 77 -0.395 -9.592 6.702 1.00 0.00 C ATOM 1288 CG TYR A 77 -1.162 -8.756 7.704 1.00 0.00 C ATOM 1289 CD1 TYR A 77 -2.322 -9.244 8.290 1.00 0.00 C ATOM 1290 CD2 TYR A 77 -0.745 -7.475 8.043 1.00 0.00 C ATOM 1291 CE1 TYR A 77 -3.044 -8.484 9.188 1.00 0.00 C ATOM 1292 CE2 TYR A 77 -1.465 -6.706 8.938 1.00 0.00 C ATOM 1293 CZ TYR A 77 -2.613 -7.216 9.506 1.00 0.00 C ATOM 1294 OH TYR A 77 -3.339 -6.453 10.395 1.00 0.00 O ATOM 0 H TYR A 77 0.348 -11.047 4.802 1.00 0.00 H new ATOM 0 HA TYR A 77 -2.042 -9.621 5.336 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -0.414 -10.636 7.015 1.00 0.00 H new ATOM 0 HB3 TYR A 77 0.649 -9.280 6.697 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -2.666 -10.236 8.039 1.00 0.00 H new ATOM 0 HD2 TYR A 77 0.155 -7.074 7.601 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -3.941 -8.882 9.638 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -1.130 -5.711 9.191 1.00 0.00 H new ATOM 0 HH TYR A 77 -2.902 -5.584 10.514 1.00 0.00 H new ATOM 1304 N ILE A 78 0.476 -7.931 4.077 1.00 0.00 N ATOM 1305 CA ILE A 78 0.823 -6.664 3.441 1.00 0.00 C ATOM 1306 C ILE A 78 -0.185 -6.332 2.343 1.00 0.00 C ATOM 1307 O ILE A 78 -0.527 -5.169 2.130 1.00 0.00 O ATOM 1308 CB ILE A 78 2.255 -6.686 2.856 1.00 0.00 C ATOM 1309 CG1 ILE A 78 3.266 -7.024 3.953 1.00 0.00 C ATOM 1310 CG2 ILE A 78 2.597 -5.340 2.228 1.00 0.00 C ATOM 1311 CD1 ILE A 78 4.666 -7.280 3.439 1.00 0.00 C ATOM 0 H ILE A 78 1.184 -8.660 3.984 1.00 0.00 H new ATOM 0 HA ILE A 78 0.791 -5.892 4.209 1.00 0.00 H new ATOM 0 HB ILE A 78 2.301 -7.452 2.082 1.00 0.00 H new ATOM 0 HG12 ILE A 78 3.297 -6.204 4.670 1.00 0.00 H new ATOM 0 HG13 ILE A 78 2.921 -7.906 4.492 1.00 0.00 H new ATOM 0 HG21 ILE A 78 3.608 -5.374 1.822 1.00 0.00 H new ATOM 0 HG22 ILE A 78 1.891 -5.123 1.426 1.00 0.00 H new ATOM 0 HG23 ILE A 78 2.537 -4.559 2.986 1.00 0.00 H new ATOM 0 HD11 ILE A 78 5.324 -7.513 4.276 1.00 0.00 H new ATOM 0 HD12 ILE A 78 4.651 -8.120 2.745 1.00 0.00 H new ATOM 0 HD13 ILE A 78 5.033 -6.392 2.925 1.00 0.00 H new ATOM 1323 N HIS A 79 -0.678 -7.361 1.663 1.00 0.00 N ATOM 1324 CA HIS A 79 -1.729 -7.181 0.671 1.00 0.00 C ATOM 1325 C HIS A 79 -3.018 -6.752 1.362 1.00 0.00 C ATOM 1326 O HIS A 79 -3.737 -5.882 0.873 1.00 0.00 O ATOM 1327 CB HIS A 79 -1.962 -8.474 -0.121 1.00 0.00 C ATOM 1328 CG HIS A 79 -2.923 -8.321 -1.269 1.00 0.00 C ATOM 1329 ND1 HIS A 79 -4.296 -8.399 -1.128 1.00 0.00 N ATOM 1330 CD2 HIS A 79 -2.699 -8.099 -2.588 1.00 0.00 C ATOM 1331 CE1 HIS A 79 -4.869 -8.234 -2.306 1.00 0.00 C ATOM 1332 NE2 HIS A 79 -3.924 -8.050 -3.205 1.00 0.00 N ATOM 0 H HIS A 79 -0.367 -8.325 1.781 1.00 0.00 H new ATOM 0 HA HIS A 79 -1.417 -6.406 -0.029 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -1.006 -8.830 -0.505 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -2.339 -9.240 0.556 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -1.737 -7.983 -3.064 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -5.931 -8.248 -2.500 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -4.078 -7.896 -4.201 1.00 0.00 H new ATOM 1341 N VAL A 80 -3.287 -7.362 2.511 1.00 0.00 N ATOM 1342 CA VAL A 80 -4.481 -7.060 3.291 1.00 0.00 C ATOM 1343 C VAL A 80 -4.459 -5.621 3.797 1.00 0.00 C ATOM 1344 O VAL A 80 -5.410 -4.877 3.587 1.00 0.00 O ATOM 1345 CB VAL A 80 -4.634 -8.019 4.493 1.00 0.00 C ATOM 1346 CG1 VAL A 80 -5.871 -7.675 5.311 1.00 0.00 C ATOM 1347 CG2 VAL A 80 -4.695 -9.462 4.022 1.00 0.00 C ATOM 0 H VAL A 80 -2.688 -8.075 2.926 1.00 0.00 H new ATOM 0 HA VAL A 80 -5.333 -7.194 2.625 1.00 0.00 H new ATOM 0 HB VAL A 80 -3.759 -7.899 5.132 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -5.955 -8.365 6.151 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -5.787 -6.655 5.686 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -6.758 -7.758 4.682 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -4.803 -10.122 4.883 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -5.548 -9.592 3.356 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -3.778 -9.710 3.488 1.00 0.00 H new ATOM 1357 N VAL A 81 -3.367 -5.228 4.445 1.00 0.00 N ATOM 1358 CA VAL A 81 -3.262 -3.889 5.021 1.00 0.00 C ATOM 1359 C VAL A 81 -3.256 -2.817 3.929 1.00 0.00 C ATOM 1360 O VAL A 81 -3.845 -1.748 4.096 1.00 0.00 O ATOM 1361 CB VAL A 81 -2.012 -3.741 5.925 1.00 0.00 C ATOM 1362 CG1 VAL A 81 -0.725 -3.970 5.148 1.00 0.00 C ATOM 1363 CG2 VAL A 81 -1.994 -2.377 6.594 1.00 0.00 C ATOM 0 H VAL A 81 -2.544 -5.814 4.585 1.00 0.00 H new ATOM 0 HA VAL A 81 -4.143 -3.746 5.647 1.00 0.00 H new ATOM 0 HB VAL A 81 -2.073 -4.509 6.696 1.00 0.00 H new ATOM 0 HG11 VAL A 81 0.129 -3.857 5.817 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -0.727 -4.976 4.729 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -0.652 -3.241 4.341 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -1.109 -2.293 7.224 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -1.972 -1.598 5.832 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -2.888 -2.260 7.207 1.00 0.00 H new ATOM 1373 N LEU A 82 -2.612 -3.110 2.806 1.00 0.00 N ATOM 1374 CA LEU A 82 -2.601 -2.185 1.682 1.00 0.00 C ATOM 1375 C LEU A 82 -4.012 -2.034 1.128 1.00 0.00 C ATOM 1376 O LEU A 82 -4.460 -0.931 0.825 1.00 0.00 O ATOM 1377 CB LEU A 82 -1.651 -2.676 0.587 1.00 0.00 C ATOM 1378 CG LEU A 82 -1.464 -1.720 -0.594 1.00 0.00 C ATOM 1379 CD1 LEU A 82 -0.869 -0.400 -0.129 1.00 0.00 C ATOM 1380 CD2 LEU A 82 -0.581 -2.357 -1.656 1.00 0.00 C ATOM 0 H LEU A 82 -2.094 -3.975 2.651 1.00 0.00 H new ATOM 0 HA LEU A 82 -2.247 -1.215 2.030 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.676 -2.869 1.035 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -2.022 -3.628 0.207 1.00 0.00 H new ATOM 0 HG LEU A 82 -2.442 -1.518 -1.030 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -0.745 0.264 -0.984 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -1.536 0.064 0.597 1.00 0.00 H new ATOM 0 HD13 LEU A 82 0.101 -0.581 0.334 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -0.457 -1.665 -2.489 1.00 0.00 H new ATOM 0 HD22 LEU A 82 0.395 -2.587 -1.228 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -1.047 -3.276 -2.013 1.00 0.00 H new ATOM 1392 N HIS A 83 -4.713 -3.157 1.026 1.00 0.00 N ATOM 1393 CA HIS A 83 -6.101 -3.164 0.588 1.00 0.00 C ATOM 1394 C HIS A 83 -6.972 -2.425 1.601 1.00 0.00 C ATOM 1395 O HIS A 83 -7.835 -1.640 1.231 1.00 0.00 O ATOM 1396 CB HIS A 83 -6.584 -4.610 0.423 1.00 0.00 C ATOM 1397 CG HIS A 83 -7.990 -4.743 -0.082 1.00 0.00 C ATOM 1398 ND1 HIS A 83 -8.910 -5.593 0.481 1.00 0.00 N ATOM 1399 CD2 HIS A 83 -8.613 -4.162 -1.130 1.00 0.00 C ATOM 1400 CE1 HIS A 83 -10.037 -5.533 -0.201 1.00 0.00 C ATOM 1401 NE2 HIS A 83 -9.889 -4.673 -1.191 1.00 0.00 N ATOM 0 H HIS A 83 -4.338 -4.080 1.243 1.00 0.00 H new ATOM 0 HA HIS A 83 -6.177 -2.655 -0.373 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -5.914 -5.127 -0.264 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -6.507 -5.117 1.385 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -8.187 -3.429 -1.799 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -10.934 -6.095 0.015 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -10.598 -4.429 -1.882 1.00 0.00 H new ATOM 1410 N GLU A 84 -6.718 -2.681 2.877 1.00 0.00 N ATOM 1411 CA GLU A 84 -7.455 -2.055 3.967 1.00 0.00 C ATOM 1412 C GLU A 84 -7.332 -0.535 3.921 1.00 0.00 C ATOM 1413 O GLU A 84 -8.333 0.176 3.916 1.00 0.00 O ATOM 1414 CB GLU A 84 -6.946 -2.589 5.311 1.00 0.00 C ATOM 1415 CG GLU A 84 -7.509 -1.862 6.522 1.00 0.00 C ATOM 1416 CD GLU A 84 -7.133 -2.531 7.827 1.00 0.00 C ATOM 1417 OE1 GLU A 84 -6.040 -2.247 8.360 1.00 0.00 O ATOM 1418 OE2 GLU A 84 -7.934 -3.346 8.329 1.00 0.00 O ATOM 0 H GLU A 84 -5.994 -3.330 3.186 1.00 0.00 H new ATOM 0 HA GLU A 84 -8.510 -2.306 3.854 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -7.196 -3.647 5.387 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -5.859 -2.516 5.330 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -7.145 -0.834 6.526 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -8.595 -1.815 6.441 1.00 0.00 H new ATOM 1425 N ALA A 85 -6.104 -0.043 3.862 1.00 0.00 N ATOM 1426 CA ALA A 85 -5.860 1.390 3.910 1.00 0.00 C ATOM 1427 C ALA A 85 -6.275 2.082 2.612 1.00 0.00 C ATOM 1428 O ALA A 85 -6.918 3.133 2.640 1.00 0.00 O ATOM 1429 CB ALA A 85 -4.394 1.662 4.209 1.00 0.00 C ATOM 0 H ALA A 85 -5.263 -0.614 3.781 1.00 0.00 H new ATOM 0 HA ALA A 85 -6.473 1.803 4.711 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -4.223 2.738 4.243 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -4.131 1.223 5.171 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -3.775 1.221 3.428 1.00 0.00 H new ATOM 1435 N MET A 86 -5.927 1.483 1.478 1.00 0.00 N ATOM 1436 CA MET A 86 -6.138 2.126 0.182 1.00 0.00 C ATOM 1437 C MET A 86 -7.585 1.981 -0.297 1.00 0.00 C ATOM 1438 O MET A 86 -8.010 2.660 -1.236 1.00 0.00 O ATOM 1439 CB MET A 86 -5.177 1.547 -0.861 1.00 0.00 C ATOM 1440 CG MET A 86 -5.090 2.368 -2.139 1.00 0.00 C ATOM 1441 SD MET A 86 -4.501 4.048 -1.845 1.00 0.00 S ATOM 1442 CE MET A 86 -2.904 3.724 -1.099 1.00 0.00 C ATOM 0 H MET A 86 -5.500 0.558 1.428 1.00 0.00 H new ATOM 0 HA MET A 86 -5.936 3.190 0.307 1.00 0.00 H new ATOM 0 HB2 MET A 86 -4.182 1.470 -0.422 1.00 0.00 H new ATOM 0 HB3 MET A 86 -5.494 0.535 -1.111 1.00 0.00 H new ATOM 0 HG2 MET A 86 -4.422 1.870 -2.842 1.00 0.00 H new ATOM 0 HG3 MET A 86 -6.073 2.408 -2.608 1.00 0.00 H new ATOM 0 HE1 MET A 86 -2.308 4.637 -1.104 1.00 0.00 H new ATOM 0 HE2 MET A 86 -3.044 3.387 -0.072 1.00 0.00 H new ATOM 0 HE3 MET A 86 -2.387 2.951 -1.667 1.00 0.00 H new ATOM 1452 N SER A 87 -8.347 1.105 0.344 1.00 0.00 N ATOM 1453 CA SER A 87 -9.747 0.916 -0.019 1.00 0.00 C ATOM 1454 C SER A 87 -10.537 2.195 0.233 1.00 0.00 C ATOM 1455 O SER A 87 -11.445 2.541 -0.526 1.00 0.00 O ATOM 1456 CB SER A 87 -10.358 -0.240 0.773 1.00 0.00 C ATOM 1457 OG SER A 87 -10.293 0.007 2.165 1.00 0.00 O ATOM 0 H SER A 87 -8.024 0.517 1.112 1.00 0.00 H new ATOM 0 HA SER A 87 -9.795 0.674 -1.081 1.00 0.00 H new ATOM 0 HB2 SER A 87 -11.396 -0.382 0.474 1.00 0.00 H new ATOM 0 HB3 SER A 87 -9.830 -1.164 0.539 1.00 0.00 H new ATOM 0 HG SER A 87 -9.361 -0.043 2.463 1.00 0.00 H new ATOM 1463 N GLN A 88 -10.157 2.905 1.288 1.00 0.00 N ATOM 1464 CA GLN A 88 -10.833 4.131 1.682 1.00 0.00 C ATOM 1465 C GLN A 88 -10.710 5.199 0.600 1.00 0.00 C ATOM 1466 O GLN A 88 -11.595 6.033 0.444 1.00 0.00 O ATOM 1467 CB GLN A 88 -10.258 4.646 3.003 1.00 0.00 C ATOM 1468 CG GLN A 88 -10.416 3.673 4.161 1.00 0.00 C ATOM 1469 CD GLN A 88 -11.865 3.374 4.499 1.00 0.00 C ATOM 1470 OE1 GLN A 88 -12.743 4.342 4.281 1.00 0.00 O flip ATOM 1471 NE2 GLN A 88 -12.191 2.282 4.964 1.00 0.00 N flip ATOM 0 H GLN A 88 -9.375 2.648 1.891 1.00 0.00 H new ATOM 0 HA GLN A 88 -11.892 3.908 1.816 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -9.199 4.865 2.867 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -10.748 5.585 3.260 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -9.907 2.741 3.915 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -9.922 4.083 5.042 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -11.485 1.562 5.117 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -13.167 2.097 5.196 1.00 0.00 H new ATOM 1480 N ALA A 89 -9.614 5.159 -0.153 1.00 0.00 N ATOM 1481 CA ALA A 89 -9.402 6.096 -1.251 1.00 0.00 C ATOM 1482 C ALA A 89 -10.462 5.894 -2.331 1.00 0.00 C ATOM 1483 O ALA A 89 -11.030 6.855 -2.860 1.00 0.00 O ATOM 1484 CB ALA A 89 -8.002 5.928 -1.828 1.00 0.00 C ATOM 0 H ALA A 89 -8.858 4.487 -0.022 1.00 0.00 H new ATOM 0 HA ALA A 89 -9.493 7.112 -0.868 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -7.859 6.634 -2.646 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -7.263 6.119 -1.050 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -7.882 4.911 -2.201 1.00 0.00 H new ATOM 1490 N ARG A 90 -10.741 4.634 -2.633 1.00 0.00 N ATOM 1491 CA ARG A 90 -11.771 4.285 -3.601 1.00 0.00 C ATOM 1492 C ARG A 90 -13.157 4.621 -3.055 1.00 0.00 C ATOM 1493 O ARG A 90 -13.973 5.226 -3.747 1.00 0.00 O ATOM 1494 CB ARG A 90 -11.686 2.796 -3.958 1.00 0.00 C ATOM 1495 CG ARG A 90 -12.832 2.309 -4.831 1.00 0.00 C ATOM 1496 CD ARG A 90 -12.655 0.856 -5.242 1.00 0.00 C ATOM 1497 NE ARG A 90 -12.464 -0.039 -4.099 1.00 0.00 N ATOM 1498 CZ ARG A 90 -12.934 -1.286 -4.041 1.00 0.00 C ATOM 1499 NH1 ARG A 90 -13.710 -1.755 -5.010 1.00 0.00 N ATOM 1500 NH2 ARG A 90 -12.653 -2.057 -3.000 1.00 0.00 N ATOM 0 H ARG A 90 -10.265 3.832 -2.219 1.00 0.00 H new ATOM 0 HA ARG A 90 -11.605 4.870 -4.505 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -10.744 2.608 -4.473 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -11.668 2.212 -3.038 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -13.772 2.421 -4.291 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -12.899 2.933 -5.722 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -13.530 0.534 -5.807 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -11.797 0.774 -5.909 1.00 0.00 H new ATOM 0 HE ARG A 90 -11.939 0.313 -3.298 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -13.950 -1.161 -5.804 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -14.067 -2.709 -4.961 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -12.076 -1.697 -2.240 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -13.014 -3.010 -2.959 1.00 0.00 H new ATOM 1514 N GLU A 91 -13.404 4.254 -1.802 1.00 0.00 N ATOM 1515 CA GLU A 91 -14.713 4.458 -1.185 1.00 0.00 C ATOM 1516 C GLU A 91 -14.957 5.931 -0.856 1.00 0.00 C ATOM 1517 O GLU A 91 -16.078 6.326 -0.530 1.00 0.00 O ATOM 1518 CB GLU A 91 -14.848 3.603 0.074 1.00 0.00 C ATOM 1519 CG GLU A 91 -14.748 2.113 -0.202 1.00 0.00 C ATOM 1520 CD GLU A 91 -14.951 1.267 1.037 1.00 0.00 C ATOM 1521 OE1 GLU A 91 -13.994 1.111 1.820 1.00 0.00 O ATOM 1522 OE2 GLU A 91 -16.065 0.740 1.228 1.00 0.00 O ATOM 0 H GLU A 91 -12.715 3.813 -1.192 1.00 0.00 H new ATOM 0 HA GLU A 91 -15.470 4.149 -1.906 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -14.071 3.888 0.784 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -15.806 3.815 0.548 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -15.492 1.837 -0.950 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -13.770 1.893 -0.629 1.00 0.00 H new ATOM 1529 N SER A 92 -13.902 6.732 -0.925 1.00 0.00 N ATOM 1530 CA SER A 92 -14.027 8.173 -0.771 1.00 0.00 C ATOM 1531 C SER A 92 -14.380 8.798 -2.118 1.00 0.00 C ATOM 1532 O SER A 92 -15.135 9.770 -2.193 1.00 0.00 O ATOM 1533 CB SER A 92 -12.725 8.773 -0.227 1.00 0.00 C ATOM 1534 OG SER A 92 -12.881 10.143 0.109 1.00 0.00 O ATOM 0 H SER A 92 -12.949 6.406 -1.087 1.00 0.00 H new ATOM 0 HA SER A 92 -14.821 8.387 -0.056 1.00 0.00 H new ATOM 0 HB2 SER A 92 -12.407 8.216 0.654 1.00 0.00 H new ATOM 0 HB3 SER A 92 -11.936 8.668 -0.972 1.00 0.00 H new ATOM 0 HG SER A 92 -12.923 10.238 1.083 1.00 0.00 H new ATOM 1540 N GLY A 93 -13.848 8.214 -3.185 1.00 0.00 N ATOM 1541 CA GLY A 93 -14.147 8.694 -4.518 1.00 0.00 C ATOM 1542 C GLY A 93 -13.009 9.479 -5.139 1.00 0.00 C ATOM 1543 O GLY A 93 -13.234 10.335 -5.995 1.00 0.00 O ATOM 0 H GLY A 93 -13.214 7.416 -3.149 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -14.386 7.845 -5.158 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -15.036 9.324 -4.480 1.00 0.00 H new ATOM 1547 N LEU A 94 -11.786 9.210 -4.705 1.00 0.00 N ATOM 1548 CA LEU A 94 -10.624 9.846 -5.313 1.00 0.00 C ATOM 1549 C LEU A 94 -9.873 8.846 -6.183 1.00 0.00 C ATOM 1550 O LEU A 94 -9.062 9.223 -7.027 1.00 0.00 O ATOM 1551 CB LEU A 94 -9.711 10.473 -4.242 1.00 0.00 C ATOM 1552 CG LEU A 94 -9.106 9.516 -3.208 1.00 0.00 C ATOM 1553 CD1 LEU A 94 -7.823 8.887 -3.732 1.00 0.00 C ATOM 1554 CD2 LEU A 94 -8.836 10.250 -1.906 1.00 0.00 C ATOM 0 H LEU A 94 -11.573 8.565 -3.944 1.00 0.00 H new ATOM 0 HA LEU A 94 -10.966 10.659 -5.954 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -8.894 10.987 -4.749 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -10.283 11.232 -3.709 1.00 0.00 H new ATOM 0 HG LEU A 94 -9.825 8.718 -3.023 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -7.415 8.213 -2.979 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -8.038 8.327 -4.642 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -7.097 9.670 -3.950 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -8.407 9.559 -1.181 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -8.137 11.067 -2.087 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -9.770 10.652 -1.515 1.00 0.00 H new ATOM 1566 N LEU A 95 -10.163 7.566 -5.976 1.00 0.00 N ATOM 1567 CA LEU A 95 -9.579 6.507 -6.781 1.00 0.00 C ATOM 1568 C LEU A 95 -10.680 5.757 -7.511 1.00 0.00 C ATOM 1569 O LEU A 95 -11.694 5.401 -6.906 1.00 0.00 O ATOM 1570 CB LEU A 95 -8.793 5.526 -5.904 1.00 0.00 C ATOM 1571 CG LEU A 95 -7.327 5.320 -6.294 1.00 0.00 C ATOM 1572 CD1 LEU A 95 -7.208 4.849 -7.736 1.00 0.00 C ATOM 1573 CD2 LEU A 95 -6.536 6.599 -6.080 1.00 0.00 C ATOM 0 H LEU A 95 -10.803 7.239 -5.252 1.00 0.00 H new ATOM 0 HA LEU A 95 -8.895 6.958 -7.500 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -8.830 5.878 -4.873 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -9.297 4.560 -5.929 1.00 0.00 H new ATOM 0 HG LEU A 95 -6.910 4.544 -5.652 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -6.157 4.710 -7.988 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -7.737 3.904 -7.855 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -7.645 5.595 -8.400 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -5.496 6.435 -6.362 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -6.958 7.395 -6.694 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -6.586 6.886 -5.030 1.00 0.00 H new ATOM 1585 N LEU A 96 -10.484 5.536 -8.803 1.00 0.00 N ATOM 1586 CA LEU A 96 -11.430 4.772 -9.607 1.00 0.00 C ATOM 1587 C LEU A 96 -11.631 3.377 -9.022 1.00 0.00 C ATOM 1588 O LEU A 96 -12.760 2.943 -8.788 1.00 0.00 O ATOM 1589 CB LEU A 96 -10.927 4.670 -11.052 1.00 0.00 C ATOM 1590 CG LEU A 96 -11.773 3.795 -11.981 1.00 0.00 C ATOM 1591 CD1 LEU A 96 -13.197 4.321 -12.070 1.00 0.00 C ATOM 1592 CD2 LEU A 96 -11.142 3.726 -13.363 1.00 0.00 C ATOM 0 H LEU A 96 -9.674 5.877 -9.320 1.00 0.00 H new ATOM 0 HA LEU A 96 -12.389 5.290 -9.599 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -10.876 5.674 -11.473 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -9.910 4.278 -11.038 1.00 0.00 H new ATOM 0 HG LEU A 96 -11.809 2.788 -11.565 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -13.779 3.684 -12.735 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -13.648 4.318 -11.078 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -13.185 5.339 -12.461 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -11.755 3.100 -14.012 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -11.076 4.730 -13.783 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -10.142 3.298 -13.286 1.00 0.00 H new ATOM 1604 N GLN A 97 -10.530 2.688 -8.770 1.00 0.00 N ATOM 1605 CA GLN A 97 -10.580 1.330 -8.258 1.00 0.00 C ATOM 1606 C GLN A 97 -9.387 1.060 -7.354 1.00 0.00 C ATOM 1607 O GLN A 97 -8.516 1.911 -7.195 1.00 0.00 O ATOM 1608 CB GLN A 97 -10.599 0.324 -9.415 1.00 0.00 C ATOM 1609 CG GLN A 97 -9.378 0.415 -10.318 1.00 0.00 C ATOM 1610 CD GLN A 97 -9.361 -0.656 -11.392 1.00 0.00 C ATOM 1611 OE1 GLN A 97 -8.828 -1.746 -11.186 1.00 0.00 O ATOM 1612 NE2 GLN A 97 -9.938 -0.353 -12.543 1.00 0.00 N ATOM 0 H GLN A 97 -9.587 3.050 -8.913 1.00 0.00 H new ATOM 0 HA GLN A 97 -11.495 1.215 -7.676 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -10.666 -0.685 -9.008 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -11.496 0.486 -10.013 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -9.353 1.397 -10.790 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -8.476 0.330 -9.712 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -10.369 0.563 -12.672 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -9.952 -1.035 -13.301 1.00 0.00 H new ATOM 1621 N ASN A 98 -9.361 -0.118 -6.759 1.00 0.00 N ATOM 1622 CA ASN A 98 -8.233 -0.535 -5.947 1.00 0.00 C ATOM 1623 C ASN A 98 -7.362 -1.499 -6.735 1.00 0.00 C ATOM 1624 O ASN A 98 -7.771 -2.622 -7.025 1.00 0.00 O ATOM 1625 CB ASN A 98 -8.711 -1.183 -4.646 1.00 0.00 C ATOM 1626 CG ASN A 98 -9.059 -0.167 -3.572 1.00 0.00 C ATOM 1627 OD1 ASN A 98 -9.951 -0.394 -2.756 1.00 0.00 O ATOM 1628 ND2 ASN A 98 -8.358 0.960 -3.559 1.00 0.00 N ATOM 0 H ASN A 98 -10.112 -0.806 -6.823 1.00 0.00 H new ATOM 0 HA ASN A 98 -7.644 0.344 -5.687 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -9.586 -1.799 -4.853 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -7.934 -1.849 -4.271 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -8.552 1.673 -2.856 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -7.625 1.113 -4.252 1.00 0.00 H new ATOM 1635 N PRO A 99 -6.149 -1.062 -7.110 1.00 0.00 N ATOM 1636 CA PRO A 99 -5.219 -1.870 -7.912 1.00 0.00 C ATOM 1637 C PRO A 99 -4.777 -3.142 -7.193 1.00 0.00 C ATOM 1638 O PRO A 99 -4.173 -4.028 -7.793 1.00 0.00 O ATOM 1639 CB PRO A 99 -4.023 -0.938 -8.136 1.00 0.00 C ATOM 1640 CG PRO A 99 -4.540 0.432 -7.860 1.00 0.00 C ATOM 1641 CD PRO A 99 -5.591 0.265 -6.803 1.00 0.00 C ATOM 0 HA PRO A 99 -5.683 -2.214 -8.836 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -3.198 -1.189 -7.470 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -3.646 -1.019 -9.155 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -3.741 1.090 -7.517 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -4.959 0.881 -8.761 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -5.166 0.304 -5.800 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -6.349 1.046 -6.859 1.00 0.00 H new ATOM 1649 N THR A 100 -5.097 -3.226 -5.911 1.00 0.00 N ATOM 1650 CA THR A 100 -4.765 -4.388 -5.106 1.00 0.00 C ATOM 1651 C THR A 100 -5.541 -5.618 -5.566 1.00 0.00 C ATOM 1652 O THR A 100 -5.078 -6.750 -5.418 1.00 0.00 O ATOM 1653 CB THR A 100 -5.066 -4.124 -3.619 1.00 0.00 C ATOM 1654 OG1 THR A 100 -6.367 -3.531 -3.482 1.00 0.00 O ATOM 1655 CG2 THR A 100 -4.020 -3.207 -3.002 1.00 0.00 C ATOM 0 H THR A 100 -5.592 -2.493 -5.402 1.00 0.00 H new ATOM 0 HA THR A 100 -3.699 -4.577 -5.231 1.00 0.00 H new ATOM 0 HB THR A 100 -5.040 -5.079 -3.093 1.00 0.00 H new ATOM 0 HG1 THR A 100 -7.050 -4.170 -3.775 1.00 0.00 H new ATOM 0 HG21 THR A 100 -4.258 -3.038 -1.952 1.00 0.00 H new ATOM 0 HG22 THR A 100 -3.037 -3.671 -3.081 1.00 0.00 H new ATOM 0 HG23 THR A 100 -4.015 -2.254 -3.531 1.00 0.00 H new ATOM 1663 N GLU A 101 -6.713 -5.385 -6.147 1.00 0.00 N ATOM 1664 CA GLU A 101 -7.595 -6.471 -6.551 1.00 0.00 C ATOM 1665 C GLU A 101 -7.072 -7.133 -7.821 1.00 0.00 C ATOM 1666 O GLU A 101 -7.347 -8.302 -8.093 1.00 0.00 O ATOM 1667 CB GLU A 101 -9.018 -5.948 -6.787 1.00 0.00 C ATOM 1668 CG GLU A 101 -9.486 -4.928 -5.756 1.00 0.00 C ATOM 1669 CD GLU A 101 -9.377 -5.420 -4.325 1.00 0.00 C ATOM 1670 OE1 GLU A 101 -8.267 -5.356 -3.759 1.00 0.00 O ATOM 1671 OE2 GLU A 101 -10.407 -5.838 -3.754 1.00 0.00 O ATOM 0 H GLU A 101 -7.073 -4.452 -6.348 1.00 0.00 H new ATOM 0 HA GLU A 101 -7.619 -7.209 -5.749 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -9.068 -5.496 -7.778 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -9.708 -6.792 -6.787 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -8.897 -4.017 -5.864 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -10.523 -4.664 -5.963 1.00 0.00 H new ATOM 1678 N ALA A 102 -6.305 -6.376 -8.590 1.00 0.00 N ATOM 1679 CA ALA A 102 -5.735 -6.877 -9.828 1.00 0.00 C ATOM 1680 C ALA A 102 -4.259 -7.210 -9.644 1.00 0.00 C ATOM 1681 O ALA A 102 -3.569 -7.562 -10.599 1.00 0.00 O ATOM 1682 CB ALA A 102 -5.927 -5.863 -10.945 1.00 0.00 C ATOM 0 H ALA A 102 -6.063 -5.409 -8.376 1.00 0.00 H new ATOM 0 HA ALA A 102 -6.255 -7.794 -10.104 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -5.495 -6.251 -11.867 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -6.992 -5.680 -11.092 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -5.432 -4.929 -10.678 1.00 0.00 H new ATOM 1688 N ALA A 103 -3.783 -7.102 -8.409 1.00 0.00 N ATOM 1689 CA ALA A 103 -2.403 -7.434 -8.090 1.00 0.00 C ATOM 1690 C ALA A 103 -2.328 -8.826 -7.473 1.00 0.00 C ATOM 1691 O ALA A 103 -2.656 -9.015 -6.299 1.00 0.00 O ATOM 1692 CB ALA A 103 -1.809 -6.397 -7.149 1.00 0.00 C ATOM 0 H ALA A 103 -4.335 -6.786 -7.612 1.00 0.00 H new ATOM 0 HA ALA A 103 -1.820 -7.430 -9.011 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -0.776 -6.661 -6.921 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -1.836 -5.416 -7.624 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -2.388 -6.369 -6.226 1.00 0.00 H new ATOM 1698 N LYS A 104 -1.925 -9.799 -8.277 1.00 0.00 N ATOM 1699 CA LYS A 104 -1.875 -11.183 -7.832 1.00 0.00 C ATOM 1700 C LYS A 104 -0.439 -11.614 -7.556 1.00 0.00 C ATOM 1701 O LYS A 104 0.452 -11.397 -8.378 1.00 0.00 O ATOM 1702 CB LYS A 104 -2.495 -12.123 -8.876 1.00 0.00 C ATOM 1703 CG LYS A 104 -4.015 -12.037 -9.001 1.00 0.00 C ATOM 1704 CD LYS A 104 -4.466 -10.730 -9.636 1.00 0.00 C ATOM 1705 CE LYS A 104 -5.977 -10.673 -9.801 1.00 0.00 C ATOM 1706 NZ LYS A 104 -6.467 -11.653 -10.806 1.00 0.00 N ATOM 0 H LYS A 104 -1.628 -9.655 -9.242 1.00 0.00 H new ATOM 0 HA LYS A 104 -2.452 -11.248 -6.910 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -2.053 -11.904 -9.848 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -2.224 -13.149 -8.626 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -4.377 -12.873 -9.599 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -4.465 -12.133 -8.013 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -4.136 -9.894 -9.020 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -3.990 -10.616 -10.610 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -6.454 -10.870 -8.841 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -6.271 -9.668 -10.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -7.474 -11.478 -10.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -5.923 -11.549 -11.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -6.348 -12.618 -10.437 1.00 0.00 H new ATOM 1720 N PRO A 105 -0.197 -12.208 -6.380 1.00 0.00 N ATOM 1721 CA PRO A 105 1.093 -12.792 -6.038 1.00 0.00 C ATOM 1722 C PRO A 105 1.247 -14.192 -6.633 1.00 0.00 C ATOM 1723 O PRO A 105 0.253 -14.887 -6.865 1.00 0.00 O ATOM 1724 CB PRO A 105 1.068 -12.862 -4.499 1.00 0.00 C ATOM 1725 CG PRO A 105 -0.252 -12.294 -4.073 1.00 0.00 C ATOM 1726 CD PRO A 105 -1.148 -12.344 -5.277 1.00 0.00 C ATOM 0 HA PRO A 105 1.927 -12.209 -6.428 1.00 0.00 H new ATOM 0 HB2 PRO A 105 1.178 -13.890 -4.155 1.00 0.00 H new ATOM 0 HB3 PRO A 105 1.893 -12.293 -4.070 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -0.675 -12.871 -3.251 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -0.137 -11.270 -3.718 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -1.703 -13.280 -5.332 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -1.882 -11.538 -5.271 1.00 0.00 H new ATOM 1734 N PRO A 106 2.488 -14.624 -6.899 1.00 0.00 N ATOM 1735 CA PRO A 106 2.753 -15.957 -7.441 1.00 0.00 C ATOM 1736 C PRO A 106 2.516 -17.063 -6.412 1.00 0.00 C ATOM 1737 O PRO A 106 3.448 -17.531 -5.754 1.00 0.00 O ATOM 1738 CB PRO A 106 4.227 -15.899 -7.844 1.00 0.00 C ATOM 1739 CG PRO A 106 4.821 -14.841 -6.976 1.00 0.00 C ATOM 1740 CD PRO A 106 3.725 -13.844 -6.712 1.00 0.00 C ATOM 0 HA PRO A 106 2.086 -16.197 -8.269 1.00 0.00 H new ATOM 0 HB2 PRO A 106 4.717 -16.860 -7.688 1.00 0.00 H new ATOM 0 HB3 PRO A 106 4.338 -15.652 -8.900 1.00 0.00 H new ATOM 0 HG2 PRO A 106 5.192 -15.266 -6.044 1.00 0.00 H new ATOM 0 HG3 PRO A 106 5.669 -14.365 -7.469 1.00 0.00 H new ATOM 0 HD2 PRO A 106 3.791 -13.434 -5.704 1.00 0.00 H new ATOM 0 HD3 PRO A 106 3.775 -13.002 -7.402 1.00 0.00 H new ATOM 1748 N ARG A 107 1.254 -17.456 -6.259 1.00 0.00 N ATOM 1749 CA ARG A 107 0.891 -18.521 -5.333 1.00 0.00 C ATOM 1750 C ARG A 107 1.396 -19.862 -5.851 1.00 0.00 C ATOM 1751 O ARG A 107 1.814 -20.723 -5.080 1.00 0.00 O ATOM 1752 CB ARG A 107 -0.628 -18.573 -5.133 1.00 0.00 C ATOM 1753 CG ARG A 107 -1.056 -19.524 -4.027 1.00 0.00 C ATOM 1754 CD ARG A 107 -2.563 -19.518 -3.820 1.00 0.00 C ATOM 1755 NE ARG A 107 -3.279 -20.230 -4.876 1.00 0.00 N ATOM 1756 CZ ARG A 107 -4.552 -19.998 -5.198 1.00 0.00 C ATOM 1757 NH1 ARG A 107 -5.234 -19.042 -4.584 1.00 0.00 N ATOM 1758 NH2 ARG A 107 -5.152 -20.726 -6.132 1.00 0.00 N ATOM 0 H ARG A 107 0.466 -17.052 -6.765 1.00 0.00 H new ATOM 0 HA ARG A 107 1.358 -18.312 -4.371 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -0.992 -17.572 -4.903 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -1.100 -18.877 -6.067 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -0.728 -20.534 -4.271 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -0.561 -19.244 -3.097 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -2.795 -19.974 -2.858 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -2.916 -18.488 -3.778 1.00 0.00 H new ATOM 0 HE ARG A 107 -2.775 -20.947 -5.398 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -4.785 -18.479 -3.861 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -6.208 -18.869 -4.834 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -4.639 -21.468 -6.608 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -6.126 -20.543 -6.374 1.00 0.00 H new ATOM 1772 N HIS A 108 1.355 -20.028 -7.164 1.00 0.00 N ATOM 1773 CA HIS A 108 1.860 -21.236 -7.798 1.00 0.00 C ATOM 1774 C HIS A 108 2.674 -20.886 -9.041 1.00 0.00 C ATOM 1775 O HIS A 108 2.164 -20.902 -10.158 1.00 0.00 O ATOM 1776 CB HIS A 108 0.726 -22.230 -8.128 1.00 0.00 C ATOM 1777 CG HIS A 108 -0.484 -21.631 -8.789 1.00 0.00 C ATOM 1778 ND1 HIS A 108 -0.774 -21.784 -10.125 1.00 0.00 N ATOM 1779 CD2 HIS A 108 -1.504 -20.905 -8.273 1.00 0.00 C ATOM 1780 CE1 HIS A 108 -1.912 -21.182 -10.401 1.00 0.00 C ATOM 1781 NE2 HIS A 108 -2.380 -20.641 -9.294 1.00 0.00 N ATOM 0 H HIS A 108 0.976 -19.339 -7.813 1.00 0.00 H new ATOM 0 HA HIS A 108 2.518 -21.735 -7.087 1.00 0.00 H new ATOM 0 HB2 HIS A 108 1.126 -23.009 -8.778 1.00 0.00 H new ATOM 0 HB3 HIS A 108 0.411 -22.716 -7.204 1.00 0.00 H new ATOM 0 HD1 HIS A 108 -0.196 -22.287 -10.799 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -1.608 -20.591 -7.245 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -2.383 -21.139 -11.372 1.00 0.00 H new ATOM 1790 N PRO A 109 3.953 -20.522 -8.842 1.00 0.00 N ATOM 1791 CA PRO A 109 4.854 -20.153 -9.937 1.00 0.00 C ATOM 1792 C PRO A 109 5.409 -21.372 -10.670 1.00 0.00 C ATOM 1793 O PRO A 109 5.964 -21.256 -11.764 1.00 0.00 O ATOM 1794 CB PRO A 109 5.971 -19.391 -9.225 1.00 0.00 C ATOM 1795 CG PRO A 109 6.022 -19.979 -7.855 1.00 0.00 C ATOM 1796 CD PRO A 109 4.619 -20.426 -7.524 1.00 0.00 C ATOM 0 HA PRO A 109 4.349 -19.572 -10.709 1.00 0.00 H new ATOM 0 HB2 PRO A 109 6.923 -19.511 -9.742 1.00 0.00 H new ATOM 0 HB3 PRO A 109 5.760 -18.322 -9.189 1.00 0.00 H new ATOM 0 HG2 PRO A 109 6.715 -20.820 -7.820 1.00 0.00 H new ATOM 0 HG3 PRO A 109 6.375 -19.245 -7.131 1.00 0.00 H new ATOM 0 HD2 PRO A 109 4.618 -21.385 -7.005 1.00 0.00 H new ATOM 0 HD3 PRO A 109 4.115 -19.711 -6.874 1.00 0.00 H new ATOM 1804 N LEU A 110 5.247 -22.542 -10.067 1.00 0.00 N ATOM 1805 CA LEU A 110 5.660 -23.795 -10.687 1.00 0.00 C ATOM 1806 C LEU A 110 4.517 -24.316 -11.551 1.00 0.00 C ATOM 1807 O LEU A 110 4.122 -25.476 -11.443 1.00 0.00 O ATOM 1808 CB LEU A 110 6.022 -24.852 -9.623 1.00 0.00 C ATOM 1809 CG LEU A 110 7.140 -24.488 -8.630 1.00 0.00 C ATOM 1810 CD1 LEU A 110 8.308 -23.826 -9.342 1.00 0.00 C ATOM 1811 CD2 LEU A 110 6.611 -23.607 -7.507 1.00 0.00 C ATOM 0 H LEU A 110 4.830 -22.650 -9.143 1.00 0.00 H new ATOM 0 HA LEU A 110 6.545 -23.609 -11.295 1.00 0.00 H new ATOM 0 HB2 LEU A 110 5.122 -25.080 -9.052 1.00 0.00 H new ATOM 0 HB3 LEU A 110 6.312 -25.767 -10.139 1.00 0.00 H new ATOM 0 HG LEU A 110 7.503 -25.413 -8.183 1.00 0.00 H new ATOM 0 HD11 LEU A 110 9.084 -23.579 -8.617 1.00 0.00 H new ATOM 0 HD12 LEU A 110 8.713 -24.509 -10.089 1.00 0.00 H new ATOM 0 HD13 LEU A 110 7.966 -22.914 -9.832 1.00 0.00 H new ATOM 0 HD21 LEU A 110 7.423 -23.366 -6.821 1.00 0.00 H new ATOM 0 HD22 LEU A 110 6.205 -22.687 -7.927 1.00 0.00 H new ATOM 0 HD23 LEU A 110 5.826 -24.137 -6.968 1.00 0.00 H new ATOM 1823 N GLU A 111 3.989 -23.448 -12.405 1.00 0.00 N ATOM 1824 CA GLU A 111 2.766 -23.739 -13.132 1.00 0.00 C ATOM 1825 C GLU A 111 3.021 -24.665 -14.318 1.00 0.00 C ATOM 1826 O GLU A 111 4.129 -24.723 -14.858 1.00 0.00 O ATOM 1827 CB GLU A 111 2.099 -22.435 -13.581 1.00 0.00 C ATOM 1828 CG GLU A 111 0.684 -22.623 -14.107 1.00 0.00 C ATOM 1829 CD GLU A 111 -0.100 -23.634 -13.297 1.00 0.00 C ATOM 1830 OE1 GLU A 111 -0.342 -23.379 -12.106 1.00 0.00 O ATOM 1831 OE2 GLU A 111 -0.447 -24.700 -13.852 1.00 0.00 O ATOM 0 H GLU A 111 4.393 -22.534 -12.610 1.00 0.00 H new ATOM 0 HA GLU A 111 2.088 -24.264 -12.459 1.00 0.00 H new ATOM 0 HB2 GLU A 111 2.076 -21.741 -12.741 1.00 0.00 H new ATOM 0 HB3 GLU A 111 2.708 -21.974 -14.359 1.00 0.00 H new ATOM 0 HG2 GLU A 111 0.163 -21.666 -14.092 1.00 0.00 H new ATOM 0 HG3 GLU A 111 0.725 -22.947 -15.147 1.00 0.00 H new ATOM 1838 N HIS A 112 1.978 -25.390 -14.702 1.00 0.00 N ATOM 1839 CA HIS A 112 2.055 -26.375 -15.764 1.00 0.00 C ATOM 1840 C HIS A 112 1.050 -26.063 -16.877 1.00 0.00 C ATOM 1841 O HIS A 112 1.315 -26.333 -18.046 1.00 0.00 O ATOM 1842 CB HIS A 112 1.815 -27.783 -15.195 1.00 0.00 C ATOM 1843 CG HIS A 112 0.478 -27.975 -14.530 1.00 0.00 C ATOM 1844 ND1 HIS A 112 0.167 -27.465 -13.290 1.00 0.00 N ATOM 1845 CD2 HIS A 112 -0.631 -28.623 -14.948 1.00 0.00 C ATOM 1846 CE1 HIS A 112 -1.069 -27.791 -12.975 1.00 0.00 C ATOM 1847 NE2 HIS A 112 -1.578 -28.494 -13.964 1.00 0.00 N ATOM 0 H HIS A 112 1.052 -25.308 -14.281 1.00 0.00 H new ATOM 0 HA HIS A 112 3.054 -26.337 -16.198 1.00 0.00 H new ATOM 0 HB2 HIS A 112 1.910 -28.508 -16.004 1.00 0.00 H new ATOM 0 HB3 HIS A 112 2.600 -28.006 -14.473 1.00 0.00 H new ATOM 0 HD2 HIS A 112 -0.750 -29.147 -15.885 1.00 0.00 H new ATOM 0 HE1 HIS A 112 -1.579 -27.526 -12.060 1.00 0.00 H new ATOM 0 HE2 HIS A 112 -2.522 -28.880 -13.994 1.00 0.00 H new ATOM 1856 N HIS A 113 -0.104 -25.500 -16.509 1.00 0.00 N ATOM 1857 CA HIS A 113 -1.139 -25.136 -17.484 1.00 0.00 C ATOM 1858 C HIS A 113 -2.005 -24.002 -16.947 1.00 0.00 C ATOM 1859 O HIS A 113 -2.498 -24.069 -15.821 1.00 0.00 O ATOM 1860 CB HIS A 113 -2.053 -26.327 -17.821 1.00 0.00 C ATOM 1861 CG HIS A 113 -1.400 -27.424 -18.606 1.00 0.00 C ATOM 1862 ND1 HIS A 113 -1.188 -28.724 -18.299 1.00 0.00 N flip ATOM 1863 CD2 HIS A 113 -0.858 -27.239 -19.857 1.00 0.00 C flip ATOM 1864 CE1 HIS A 113 -0.531 -29.296 -19.356 1.00 0.00 C flip ATOM 1865 NE2 HIS A 113 -0.348 -28.377 -20.284 1.00 0.00 N flip ATOM 0 H HIS A 113 -0.347 -25.286 -15.542 1.00 0.00 H new ATOM 0 HA HIS A 113 -0.620 -24.820 -18.389 1.00 0.00 H new ATOM 0 HB2 HIS A 113 -2.437 -26.745 -16.891 1.00 0.00 H new ATOM 0 HB3 HIS A 113 -2.911 -25.959 -18.384 1.00 0.00 H new ATOM 0 HD2 HIS A 113 -0.851 -26.307 -20.403 1.00 0.00 H new ATOM 0 HE1 HIS A 113 -0.216 -30.327 -19.419 1.00 0.00 H new ATOM 0 HE2 HIS A 113 0.112 -28.523 -21.183 1.00 0.00 H new ATOM 1874 N HIS A 114 -2.210 -22.974 -17.753 1.00 0.00 N ATOM 1875 CA HIS A 114 -3.057 -21.858 -17.352 1.00 0.00 C ATOM 1876 C HIS A 114 -4.130 -21.597 -18.406 1.00 0.00 C ATOM 1877 O HIS A 114 -3.832 -21.179 -19.522 1.00 0.00 O ATOM 1878 CB HIS A 114 -2.230 -20.584 -17.066 1.00 0.00 C ATOM 1879 CG HIS A 114 -1.410 -20.067 -18.217 1.00 0.00 C ATOM 1880 ND1 HIS A 114 -1.563 -18.798 -18.740 1.00 0.00 N ATOM 1881 CD2 HIS A 114 -0.399 -20.634 -18.918 1.00 0.00 C ATOM 1882 CE1 HIS A 114 -0.687 -18.613 -19.707 1.00 0.00 C ATOM 1883 NE2 HIS A 114 0.032 -19.708 -19.834 1.00 0.00 N ATOM 0 H HIS A 114 -1.805 -22.887 -18.685 1.00 0.00 H new ATOM 0 HA HIS A 114 -3.551 -22.132 -16.420 1.00 0.00 H new ATOM 0 HB2 HIS A 114 -2.911 -19.795 -16.746 1.00 0.00 H new ATOM 0 HB3 HIS A 114 -1.561 -20.787 -16.230 1.00 0.00 H new ATOM 0 HD1 HIS A 114 -2.248 -18.110 -18.426 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -0.005 -21.630 -18.781 1.00 0.00 H new ATOM 0 HE1 HIS A 114 -0.578 -17.714 -20.296 1.00 0.00 H new ATOM 1892 N HIS A 115 -5.380 -21.878 -18.051 1.00 0.00 N ATOM 1893 CA HIS A 115 -6.496 -21.693 -18.975 1.00 0.00 C ATOM 1894 C HIS A 115 -7.296 -20.445 -18.612 1.00 0.00 C ATOM 1895 O HIS A 115 -8.130 -19.983 -19.389 1.00 0.00 O ATOM 1896 CB HIS A 115 -7.412 -22.927 -18.974 1.00 0.00 C ATOM 1897 CG HIS A 115 -8.522 -22.855 -19.982 1.00 0.00 C ATOM 1898 ND1 HIS A 115 -9.850 -22.758 -19.636 1.00 0.00 N ATOM 1899 CD2 HIS A 115 -8.489 -22.857 -21.335 1.00 0.00 C ATOM 1900 CE1 HIS A 115 -10.584 -22.705 -20.729 1.00 0.00 C ATOM 1901 NE2 HIS A 115 -9.785 -22.761 -21.777 1.00 0.00 N ATOM 0 H HIS A 115 -5.646 -22.234 -17.133 1.00 0.00 H new ATOM 0 HA HIS A 115 -6.086 -21.564 -19.977 1.00 0.00 H new ATOM 0 HB2 HIS A 115 -6.811 -23.815 -19.171 1.00 0.00 H new ATOM 0 HB3 HIS A 115 -7.843 -23.048 -17.980 1.00 0.00 H new ATOM 0 HD2 HIS A 115 -7.606 -22.922 -21.953 1.00 0.00 H new ATOM 0 HE1 HIS A 115 -11.661 -22.628 -20.761 1.00 0.00 H new ATOM 0 HE2 HIS A 115 -10.081 -22.737 -22.753 1.00 0.00 H new ATOM 1910 N HIS A 116 -7.056 -19.910 -17.419 1.00 0.00 N ATOM 1911 CA HIS A 116 -7.717 -18.676 -17.000 1.00 0.00 C ATOM 1912 C HIS A 116 -7.260 -17.518 -17.873 1.00 0.00 C ATOM 1913 O HIS A 116 -8.046 -16.936 -18.619 1.00 0.00 O ATOM 1914 CB HIS A 116 -7.432 -18.368 -15.527 1.00 0.00 C ATOM 1915 CG HIS A 116 -8.312 -19.117 -14.578 1.00 0.00 C ATOM 1916 ND1 HIS A 116 -9.549 -18.657 -14.187 1.00 0.00 N ATOM 1917 CD2 HIS A 116 -8.135 -20.299 -13.945 1.00 0.00 C ATOM 1918 CE1 HIS A 116 -10.095 -19.520 -13.353 1.00 0.00 C ATOM 1919 NE2 HIS A 116 -9.258 -20.524 -13.190 1.00 0.00 N ATOM 0 H HIS A 116 -6.416 -20.306 -16.731 1.00 0.00 H new ATOM 0 HA HIS A 116 -8.792 -18.811 -17.115 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -6.391 -18.607 -15.309 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -7.556 -17.298 -15.357 1.00 0.00 H new ATOM 0 HD2 HIS A 116 -7.272 -20.944 -14.020 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -11.063 -19.421 -12.884 1.00 0.00 H new ATOM 0 HE2 HIS A 116 -9.419 -21.338 -12.597 1.00 0.00 H new ATOM 1928 N HIS A 117 -5.987 -17.190 -17.769 1.00 0.00 N ATOM 1929 CA HIS A 117 -5.381 -16.179 -18.614 1.00 0.00 C ATOM 1930 C HIS A 117 -4.025 -16.665 -19.082 1.00 0.00 C ATOM 1931 O HIS A 117 -3.047 -16.530 -18.317 1.00 0.00 O ATOM 1932 CB HIS A 117 -5.238 -14.847 -17.873 1.00 0.00 C ATOM 1933 CG HIS A 117 -6.525 -14.098 -17.730 1.00 0.00 C ATOM 1934 ND1 HIS A 117 -6.981 -13.206 -18.672 1.00 0.00 N ATOM 1935 CD2 HIS A 117 -7.462 -14.119 -16.753 1.00 0.00 C ATOM 1936 CE1 HIS A 117 -8.139 -12.708 -18.282 1.00 0.00 C ATOM 1937 NE2 HIS A 117 -8.458 -13.249 -17.121 1.00 0.00 N ATOM 1938 OXT HIS A 117 -3.942 -17.203 -20.202 1.00 0.00 O ATOM 0 H HIS A 117 -5.346 -17.615 -17.099 1.00 0.00 H new ATOM 0 HA HIS A 117 -6.029 -16.011 -19.474 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -4.825 -15.035 -16.882 1.00 0.00 H new ATOM 0 HB3 HIS A 117 -4.521 -14.221 -18.404 1.00 0.00 H new ATOM 0 HD2 HIS A 117 -7.431 -14.711 -15.850 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -8.727 -11.980 -18.822 1.00 0.00 H new ATOM 0 HE2 HIS A 117 -9.304 -13.053 -16.586 1.00 0.00 H new TER 1947 HIS A 117