USER MOD reduce.3.24.130724 H: found=0, std=0, add=857, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 856 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 97 TYR OH : rot -81:sc= 0.939 USER MOD Set 1.2: A 100 ASN : amide:sc= 0.894 K(o=1.8,f=-4.7!) USER MOD Set 2.1: A 13 HIS : no HE2:sc= -1.02! C(o=0.21!,f=-14!) USER MOD Set 2.2: A 76 SER OG : rot 85:sc= 1.23 USER MOD Set 3.1: A 71 ASN : amide:sc= -1.07 K(o=-0.13,f=-5.2!) USER MOD Set 3.2: A 72 SER OG : rot 113:sc= 0.935 USER MOD Set 4.1: A 38 LYS NZ :NH3+ 168:sc= 1.28! (180deg=0.601) USER MOD Set 4.2: A 62 GLN : amide:sc= 1.74 K(o=3,f=-18!) USER MOD Set 5.1: A 26 MET CE :methyl -110:sc= -2.2 (180deg=-7.96!) USER MOD Set 5.2: A 48 SER OG : rot -82:sc= -2.08! USER MOD Set 5.3: A 57 HIS : no HD1:sc= -0.578 K(o=-4.9,f=-6.5!) USER MOD Set 6.1: A 54 LYS NZ :NH3+ -164:sc= 1.56 (180deg=0.39) USER MOD Set 6.2: A 90 TYR OH : rot 90:sc= -0.0383 USER MOD Set 7.1: A 8 SER OG : rot 177:sc= 0.69 USER MOD Set 7.2: A 82 SER OG : rot 67:sc= 2.12 USER MOD Single : A 6 HIS : no HD1:sc= -0.0891 X(o=-0.089,f=0) USER MOD Single : A 9 LYS NZ :NH3+ -147:sc= 1.36 (180deg=-2.2!) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 142:sc= 1.02 USER MOD Single : A 17 THR OG1 : rot 170:sc= -3.52! USER MOD Single : A 20 GLN : amide:sc= -4.4! C(o=-4.4!,f=-5.1!) USER MOD Single : A 23 HIS : no HD1:sc= 0 X(o=0,f=-0.0078) USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= 0.985 K(o=0.99,f=0) USER MOD Single : A 43 ASN : amide:sc= -0.205 K(o=-0.2,f=-4.4!) USER MOD Single : A 44 SER OG : rot 102:sc= -4.23! USER MOD Single : A 45 TYR OH : rot -163:sc= -1.33! USER MOD Single : A 56 LYS NZ :NH3+ -173:sc= 0.678! (180deg=0.383!) USER MOD Single : A 58 CYS SG : rot 58:sc= -0.472 USER MOD Single : A 61 GLN : amide:sc= -0.564 K(o=-0.56,f=-11!) USER MOD Single : A 65 GLN : amide:sc= 0.991 K(o=0.99,f=-0.33) USER MOD Single : A 66 THR OG1 : rot 5:sc= 1.11 USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ -174:sc= 1.79 (180deg=1.61) USER MOD Single : A 87 HIS : no HE2:sc= 0.93 K(o=0.93,f=-6.3!) USER MOD Single : A 92 LYS NZ :NH3+ -110:sc= 0.0622 (180deg=-7.52!) USER MOD Single : A 93 MET CE :methyl 152:sc= -4.17 (180deg=-6.71!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 8 SER OG : rot -82:sc= -1.55! USER MOD ----------------------------------------------------------------- ATOM 33 N GLU B 4 6.541 -3.352 -12.930 1.00 0.00 N ATOM 34 CA GLU B 4 5.273 -2.660 -13.326 1.00 0.00 C ATOM 35 C GLU B 4 4.140 -3.673 -13.548 1.00 0.00 C ATOM 36 O GLU B 4 3.100 -3.570 -12.936 1.00 0.00 O ATOM 37 CB GLU B 4 5.577 -1.909 -14.631 1.00 0.00 C ATOM 38 CG GLU B 4 4.955 -0.498 -14.577 1.00 0.00 C ATOM 39 CD GLU B 4 3.418 -0.565 -14.657 1.00 0.00 C ATOM 40 OE1 GLU B 4 2.893 -1.546 -15.157 1.00 0.00 O ATOM 41 OE2 GLU B 4 2.781 0.372 -14.198 1.00 0.00 O ATOM 0 HA GLU B 4 4.943 -1.980 -12.541 1.00 0.00 H new ATOM 0 HB2 GLU B 4 6.655 -1.836 -14.777 1.00 0.00 H new ATOM 0 HB3 GLU B 4 5.176 -2.461 -15.481 1.00 0.00 H new ATOM 0 HG2 GLU B 4 5.253 -0.001 -13.654 1.00 0.00 H new ATOM 0 HG3 GLU B 4 5.339 0.104 -15.401 1.00 0.00 H new ATOM 48 N VAL B 5 4.316 -4.627 -14.433 1.00 0.00 N ATOM 49 CA VAL B 5 3.215 -5.616 -14.709 1.00 0.00 C ATOM 50 C VAL B 5 3.186 -6.781 -13.698 1.00 0.00 C ATOM 51 O VAL B 5 4.123 -7.549 -13.586 1.00 0.00 O ATOM 52 CB VAL B 5 3.494 -6.150 -16.124 1.00 0.00 C ATOM 53 CG1 VAL B 5 2.528 -7.295 -16.448 1.00 0.00 C ATOM 54 CG2 VAL B 5 3.294 -5.031 -17.150 1.00 0.00 C ATOM 0 H VAL B 5 5.169 -4.766 -14.975 1.00 0.00 H new ATOM 0 HA VAL B 5 2.243 -5.131 -14.620 1.00 0.00 H new ATOM 0 HB VAL B 5 4.522 -6.511 -16.166 1.00 0.00 H new ATOM 0 HG11 VAL B 5 2.731 -7.669 -17.452 1.00 0.00 H new ATOM 0 HG12 VAL B 5 2.663 -8.101 -15.726 1.00 0.00 H new ATOM 0 HG13 VAL B 5 1.502 -6.931 -16.397 1.00 0.00 H new ATOM 0 HG21 VAL B 5 3.493 -5.415 -18.151 1.00 0.00 H new ATOM 0 HG22 VAL B 5 2.267 -4.669 -17.098 1.00 0.00 H new ATOM 0 HG23 VAL B 5 3.979 -4.212 -16.933 1.00 0.00 H new ATOM 89 N GLU B 7 0.113 -9.004 -10.653 1.00 0.00 N ATOM 90 CA GLU B 7 -1.316 -9.268 -10.257 1.00 0.00 C ATOM 91 C GLU B 7 -1.351 -9.679 -8.762 1.00 0.00 C ATOM 92 O GLU B 7 -0.396 -10.233 -8.257 1.00 0.00 O ATOM 93 CB GLU B 7 -1.776 -10.436 -11.143 1.00 0.00 C ATOM 94 CG GLU B 7 -3.070 -11.057 -10.582 1.00 0.00 C ATOM 95 CD GLU B 7 -4.254 -10.107 -10.786 1.00 0.00 C ATOM 96 OE1 GLU B 7 -4.399 -9.179 -9.998 1.00 0.00 O ATOM 97 OE2 GLU B 7 -5.004 -10.320 -11.726 1.00 0.00 O ATOM 0 HA GLU B 7 -1.959 -8.397 -10.385 1.00 0.00 H new ATOM 0 HB2 GLU B 7 -1.945 -10.084 -12.161 1.00 0.00 H new ATOM 0 HB3 GLU B 7 -0.993 -11.193 -11.193 1.00 0.00 H new ATOM 0 HG2 GLU B 7 -3.269 -12.007 -11.078 1.00 0.00 H new ATOM 0 HG3 GLU B 7 -2.947 -11.271 -9.520 1.00 0.00 H new ATOM 104 N SER B 8 -2.438 -9.425 -8.064 1.00 0.00 N ATOM 105 CA SER B 8 -2.550 -9.809 -6.601 1.00 0.00 C ATOM 106 C SER B 8 -1.487 -9.105 -5.735 1.00 0.00 C ATOM 107 O SER B 8 -0.441 -9.666 -5.468 1.00 0.00 O ATOM 108 CB SER B 8 -2.347 -11.327 -6.560 1.00 0.00 C ATOM 109 OG SER B 8 -3.615 -11.968 -6.550 1.00 0.00 O ATOM 0 H SER B 8 -3.265 -8.963 -8.444 1.00 0.00 H new ATOM 0 HA SER B 8 -3.516 -9.506 -6.196 1.00 0.00 H new ATOM 0 HB2 SER B 8 -1.769 -11.652 -7.425 1.00 0.00 H new ATOM 0 HB3 SER B 8 -1.778 -11.606 -5.673 1.00 0.00 H new ATOM 0 HG SER B 8 -3.972 -11.973 -5.637 1.00 0.00 H new ATOM 115 N PRO B 9 -1.792 -7.893 -5.315 1.00 0.00 N ATOM 116 CA PRO B 9 -0.842 -7.112 -4.486 1.00 0.00 C ATOM 117 C PRO B 9 -0.912 -7.508 -3.002 1.00 0.00 C ATOM 118 O PRO B 9 -0.233 -8.425 -2.572 1.00 0.00 O ATOM 119 CB PRO B 9 -1.283 -5.668 -4.709 1.00 0.00 C ATOM 120 CG PRO B 9 -2.725 -5.737 -5.108 1.00 0.00 C ATOM 121 CD PRO B 9 -3.029 -7.147 -5.560 1.00 0.00 C ATOM 0 HA PRO B 9 0.198 -7.285 -4.763 1.00 0.00 H new ATOM 0 HB2 PRO B 9 -1.156 -5.076 -3.802 1.00 0.00 H new ATOM 0 HB3 PRO B 9 -0.685 -5.192 -5.486 1.00 0.00 H new ATOM 0 HG2 PRO B 9 -3.364 -5.462 -4.269 1.00 0.00 H new ATOM 0 HG3 PRO B 9 -2.930 -5.029 -5.911 1.00 0.00 H new ATOM 0 HD2 PRO B 9 -3.864 -7.570 -5.001 1.00 0.00 H new ATOM 0 HD3 PRO B 9 -3.305 -7.174 -6.614 1.00 0.00 H new ATOM 154 N ALA B 11 -3.386 -7.910 0.893 1.00 0.00 N ATOM 155 CA ALA B 11 -4.663 -8.537 1.362 1.00 0.00 C ATOM 156 C ALA B 11 -4.699 -8.559 2.898 1.00 0.00 C ATOM 157 O ALA B 11 -3.841 -9.147 3.529 1.00 0.00 O ATOM 158 CB ALA B 11 -4.654 -9.970 0.814 1.00 0.00 C ATOM 0 HA ALA B 11 -5.536 -7.983 1.018 1.00 0.00 H new ATOM 0 HB1 ALA B 11 -5.564 -10.484 1.123 1.00 0.00 H new ATOM 0 HB2 ALA B 11 -4.604 -9.943 -0.275 1.00 0.00 H new ATOM 0 HB3 ALA B 11 -3.787 -10.503 1.204 1.00 0.00 H new ATOM 164 N ASP B 12 -5.687 -7.929 3.494 1.00 0.00 N ATOM 165 CA ASP B 12 -5.801 -7.910 4.995 1.00 0.00 C ATOM 166 C ASP B 12 -4.554 -7.265 5.654 1.00 0.00 C ATOM 167 O ASP B 12 -3.697 -6.734 4.969 1.00 0.00 O ATOM 168 CB ASP B 12 -5.956 -9.390 5.386 1.00 0.00 C ATOM 169 CG ASP B 12 -7.371 -9.638 5.911 1.00 0.00 C ATOM 170 OD1 ASP B 12 -8.309 -9.384 5.172 1.00 0.00 O ATOM 171 OD2 ASP B 12 -7.493 -10.073 7.042 1.00 0.00 O ATOM 0 H ASP B 12 -6.425 -7.423 3.004 1.00 0.00 H new ATOM 0 HA ASP B 12 -6.642 -7.307 5.338 1.00 0.00 H new ATOM 0 HB2 ASP B 12 -5.761 -10.027 4.523 1.00 0.00 H new ATOM 0 HB3 ASP B 12 -5.223 -9.654 6.149 1.00 0.00 H new ATOM 176 N PRO B 13 -4.510 -7.312 6.973 1.00 0.00 N ATOM 177 CA PRO B 13 -3.377 -6.712 7.730 1.00 0.00 C ATOM 178 C PRO B 13 -2.165 -7.670 7.806 1.00 0.00 C ATOM 179 O PRO B 13 -2.075 -8.636 7.071 1.00 0.00 O ATOM 180 CB PRO B 13 -3.975 -6.478 9.118 1.00 0.00 C ATOM 181 CG PRO B 13 -5.094 -7.467 9.255 1.00 0.00 C ATOM 182 CD PRO B 13 -5.505 -7.911 7.873 1.00 0.00 C ATOM 0 HA PRO B 13 -2.993 -5.805 7.263 1.00 0.00 H new ATOM 0 HB2 PRO B 13 -3.226 -6.625 9.896 1.00 0.00 H new ATOM 0 HB3 PRO B 13 -4.342 -5.457 9.218 1.00 0.00 H new ATOM 0 HG2 PRO B 13 -4.774 -8.323 9.849 1.00 0.00 H new ATOM 0 HG3 PRO B 13 -5.938 -7.015 9.776 1.00 0.00 H new ATOM 0 HD2 PRO B 13 -5.508 -8.998 7.792 1.00 0.00 H new ATOM 0 HD3 PRO B 13 -6.512 -7.571 7.632 1.00 0.00 H new ATOM 242 N GLY A 4 -10.814 1.541 9.986 1.00 0.00 N ATOM 243 CA GLY A 4 -10.098 2.664 9.296 1.00 0.00 C ATOM 244 C GLY A 4 -10.979 3.216 8.169 1.00 0.00 C ATOM 245 O GLY A 4 -12.088 3.655 8.408 1.00 0.00 O ATOM 0 HA2 GLY A 4 -9.865 3.454 10.010 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -9.150 2.311 8.891 1.00 0.00 H new ATOM 249 N ILE A 5 -10.491 3.205 6.941 1.00 0.00 N ATOM 250 CA ILE A 5 -11.286 3.719 5.757 1.00 0.00 C ATOM 251 C ILE A 5 -11.555 5.242 5.824 1.00 0.00 C ATOM 252 O ILE A 5 -11.597 5.904 4.805 1.00 0.00 O ATOM 253 CB ILE A 5 -12.599 2.915 5.778 1.00 0.00 C ATOM 254 CG1 ILE A 5 -12.482 1.725 4.821 1.00 0.00 C ATOM 255 CG2 ILE A 5 -13.781 3.790 5.343 1.00 0.00 C ATOM 256 CD1 ILE A 5 -11.720 0.591 5.509 1.00 0.00 C ATOM 0 H ILE A 5 -9.562 2.857 6.703 1.00 0.00 H new ATOM 0 HA ILE A 5 -10.730 3.583 4.829 1.00 0.00 H new ATOM 0 HB ILE A 5 -12.774 2.567 6.796 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -13.474 1.384 4.525 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -11.964 2.026 3.911 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -14.698 3.201 5.366 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -13.877 4.636 6.023 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -13.610 4.156 4.331 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -11.636 -0.256 4.829 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -10.723 0.936 5.783 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -12.257 0.284 6.407 1.00 0.00 H new ATOM 268 N HIS A 6 -11.723 5.801 6.996 1.00 0.00 N ATOM 269 CA HIS A 6 -11.971 7.272 7.110 1.00 0.00 C ATOM 270 C HIS A 6 -10.740 7.949 7.724 1.00 0.00 C ATOM 271 O HIS A 6 -10.294 8.986 7.273 1.00 0.00 O ATOM 272 CB HIS A 6 -13.180 7.392 8.046 1.00 0.00 C ATOM 273 CG HIS A 6 -14.081 8.508 7.586 1.00 0.00 C ATOM 274 ND1 HIS A 6 -15.458 8.436 7.706 1.00 0.00 N ATOM 275 CD2 HIS A 6 -13.820 9.727 7.010 1.00 0.00 C ATOM 276 CE1 HIS A 6 -15.970 9.579 7.214 1.00 0.00 C ATOM 277 NE2 HIS A 6 -15.014 10.401 6.776 1.00 0.00 N ATOM 0 H HIS A 6 -11.699 5.299 7.884 1.00 0.00 H new ATOM 0 HA HIS A 6 -12.157 7.749 6.148 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -13.732 6.452 8.063 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -12.843 7.582 9.065 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -12.836 10.105 6.774 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -17.026 9.804 7.178 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -15.133 11.324 6.359 1.00 0.00 H new ATOM 285 N GLU A 7 -10.190 7.352 8.752 1.00 0.00 N ATOM 286 CA GLU A 7 -8.983 7.927 9.416 1.00 0.00 C ATOM 287 C GLU A 7 -7.688 7.336 8.822 1.00 0.00 C ATOM 288 O GLU A 7 -6.641 7.950 8.905 1.00 0.00 O ATOM 289 CB GLU A 7 -9.142 7.532 10.897 1.00 0.00 C ATOM 290 CG GLU A 7 -7.810 7.707 11.652 1.00 0.00 C ATOM 291 CD GLU A 7 -7.072 6.364 11.781 1.00 0.00 C ATOM 292 OE1 GLU A 7 -7.723 5.323 11.781 1.00 0.00 O ATOM 293 OE2 GLU A 7 -5.858 6.392 11.885 1.00 0.00 O ATOM 0 H GLU A 7 -10.530 6.482 9.162 1.00 0.00 H new ATOM 0 HA GLU A 7 -8.907 9.006 9.278 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -9.913 8.146 11.362 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -9.473 6.496 10.969 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -7.180 8.424 11.125 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -8.000 8.119 12.643 1.00 0.00 H new ATOM 300 N SER A 8 -7.742 6.146 8.252 1.00 0.00 N ATOM 301 CA SER A 8 -6.494 5.510 7.694 1.00 0.00 C ATOM 302 C SER A 8 -5.938 6.250 6.459 1.00 0.00 C ATOM 303 O SER A 8 -6.126 7.443 6.295 1.00 0.00 O ATOM 304 CB SER A 8 -6.877 4.066 7.349 1.00 0.00 C ATOM 305 OG SER A 8 -7.566 4.047 6.104 1.00 0.00 O ATOM 0 H SER A 8 -8.592 5.591 8.150 1.00 0.00 H new ATOM 0 HA SER A 8 -5.690 5.555 8.428 1.00 0.00 H new ATOM 0 HB2 SER A 8 -5.984 3.444 7.293 1.00 0.00 H new ATOM 0 HB3 SER A 8 -7.508 3.648 8.133 1.00 0.00 H new ATOM 0 HG SER A 8 -7.775 3.121 5.860 1.00 0.00 H new ATOM 311 N LYS A 9 -5.209 5.556 5.609 1.00 0.00 N ATOM 312 CA LYS A 9 -4.597 6.241 4.417 1.00 0.00 C ATOM 313 C LYS A 9 -4.566 5.349 3.156 1.00 0.00 C ATOM 314 O LYS A 9 -5.315 4.400 3.025 1.00 0.00 O ATOM 315 CB LYS A 9 -3.175 6.552 4.866 1.00 0.00 C ATOM 316 CG LYS A 9 -2.771 7.920 4.318 1.00 0.00 C ATOM 317 CD LYS A 9 -1.610 8.459 5.135 1.00 0.00 C ATOM 318 CE LYS A 9 -0.286 8.103 4.446 1.00 0.00 C ATOM 319 NZ LYS A 9 -0.078 6.648 4.720 1.00 0.00 N ATOM 0 H LYS A 9 -5.013 4.558 5.687 1.00 0.00 H new ATOM 0 HA LYS A 9 -5.176 7.119 4.130 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -3.114 6.549 5.954 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -2.490 5.784 4.506 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -2.486 7.836 3.269 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -3.615 8.608 4.365 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -1.697 9.540 5.240 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -1.633 8.038 6.140 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -0.335 8.299 3.375 1.00 0.00 H new ATOM 0 HE3 LYS A 9 0.536 8.699 4.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 0.940 6.453 4.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -0.557 6.390 5.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -0.472 6.088 3.938 1.00 0.00 H new ATOM 333 N GLU A 10 -3.677 5.672 2.231 1.00 0.00 N ATOM 334 CA GLU A 10 -3.522 4.892 0.958 1.00 0.00 C ATOM 335 C GLU A 10 -4.851 4.760 0.197 1.00 0.00 C ATOM 336 O GLU A 10 -5.086 3.794 -0.508 1.00 0.00 O ATOM 337 CB GLU A 10 -2.978 3.532 1.401 1.00 0.00 C ATOM 338 CG GLU A 10 -1.445 3.492 1.237 1.00 0.00 C ATOM 339 CD GLU A 10 -0.822 4.851 1.591 1.00 0.00 C ATOM 340 OE1 GLU A 10 -0.733 5.163 2.776 1.00 0.00 O ATOM 341 OE2 GLU A 10 -0.444 5.557 0.673 1.00 0.00 O ATOM 0 H GLU A 10 -3.040 6.464 2.313 1.00 0.00 H new ATOM 0 HA GLU A 10 -2.853 5.389 0.256 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -3.245 3.347 2.442 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -3.435 2.739 0.809 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -1.026 2.717 1.879 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -1.191 3.227 0.211 1.00 0.00 H new ATOM 348 N TRP A 11 -5.708 5.743 0.307 1.00 0.00 N ATOM 349 CA TRP A 11 -7.012 5.690 -0.436 1.00 0.00 C ATOM 350 C TRP A 11 -6.957 6.544 -1.721 1.00 0.00 C ATOM 351 O TRP A 11 -7.947 6.697 -2.411 1.00 0.00 O ATOM 352 CB TRP A 11 -8.102 6.204 0.531 1.00 0.00 C ATOM 353 CG TRP A 11 -7.615 7.356 1.359 1.00 0.00 C ATOM 354 CD1 TRP A 11 -7.241 7.272 2.658 1.00 0.00 C ATOM 355 CD2 TRP A 11 -7.459 8.751 0.977 1.00 0.00 C ATOM 356 NE1 TRP A 11 -6.859 8.529 3.095 1.00 0.00 N ATOM 357 CE2 TRP A 11 -6.976 9.473 2.094 1.00 0.00 C ATOM 358 CE3 TRP A 11 -7.686 9.453 -0.220 1.00 0.00 C ATOM 359 CZ2 TRP A 11 -6.728 10.843 2.025 1.00 0.00 C ATOM 360 CZ3 TRP A 11 -7.437 10.833 -0.294 1.00 0.00 C ATOM 361 CH2 TRP A 11 -6.959 11.527 0.826 1.00 0.00 C ATOM 0 H TRP A 11 -5.566 6.578 0.875 1.00 0.00 H new ATOM 0 HA TRP A 11 -7.232 4.671 -0.755 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -8.978 6.512 -0.040 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -8.418 5.393 1.187 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -7.241 6.372 3.255 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -6.532 8.733 4.039 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -8.054 8.927 -1.088 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -6.360 11.373 2.891 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -7.615 11.362 -1.219 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -6.769 12.588 0.764 1.00 0.00 H new ATOM 372 N TYR A 12 -5.810 7.090 -2.063 1.00 0.00 N ATOM 373 CA TYR A 12 -5.709 7.916 -3.312 1.00 0.00 C ATOM 374 C TYR A 12 -5.362 7.025 -4.525 1.00 0.00 C ATOM 375 O TYR A 12 -4.434 7.285 -5.271 1.00 0.00 O ATOM 376 CB TYR A 12 -4.594 8.932 -3.024 1.00 0.00 C ATOM 377 CG TYR A 12 -4.604 10.004 -4.087 1.00 0.00 C ATOM 378 CD1 TYR A 12 -5.684 10.889 -4.177 1.00 0.00 C ATOM 379 CD2 TYR A 12 -3.538 10.108 -4.988 1.00 0.00 C ATOM 380 CE1 TYR A 12 -5.696 11.879 -5.165 1.00 0.00 C ATOM 381 CE2 TYR A 12 -3.551 11.099 -5.976 1.00 0.00 C ATOM 382 CZ TYR A 12 -4.630 11.983 -6.064 1.00 0.00 C ATOM 383 OH TYR A 12 -4.645 12.961 -7.036 1.00 0.00 O ATOM 0 H TYR A 12 -4.943 6.999 -1.533 1.00 0.00 H new ATOM 0 HA TYR A 12 -6.648 8.411 -3.561 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -4.739 9.379 -2.040 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -3.626 8.431 -3.007 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -6.508 10.808 -3.484 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -2.705 9.423 -4.921 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -6.529 12.563 -5.234 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -2.728 11.181 -6.670 1.00 0.00 H new ATOM 0 HH TYR A 12 -3.830 12.897 -7.577 1.00 0.00 H new ATOM 393 N HIS A 13 -6.110 5.971 -4.717 1.00 0.00 N ATOM 394 CA HIS A 13 -5.858 5.041 -5.860 1.00 0.00 C ATOM 395 C HIS A 13 -6.498 5.573 -7.158 1.00 0.00 C ATOM 396 O HIS A 13 -7.539 5.107 -7.599 1.00 0.00 O ATOM 397 CB HIS A 13 -6.480 3.688 -5.448 1.00 0.00 C ATOM 398 CG HIS A 13 -7.894 3.870 -4.947 1.00 0.00 C ATOM 399 ND1 HIS A 13 -8.902 4.378 -5.748 1.00 0.00 N ATOM 400 CD2 HIS A 13 -8.475 3.625 -3.730 1.00 0.00 C ATOM 401 CE1 HIS A 13 -10.027 4.420 -5.012 1.00 0.00 C ATOM 402 NE2 HIS A 13 -9.821 3.973 -3.774 1.00 0.00 N ATOM 0 H HIS A 13 -6.897 5.710 -4.122 1.00 0.00 H new ATOM 0 HA HIS A 13 -4.792 4.942 -6.065 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -6.477 3.008 -6.300 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -5.872 3.226 -4.670 1.00 0.00 H new ATOM 0 HD1 HIS A 13 -8.809 4.668 -6.721 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -7.965 3.223 -2.867 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -10.980 4.772 -5.379 1.00 0.00 H new ATOM 410 N ALA A 14 -5.877 6.537 -7.784 1.00 0.00 N ATOM 411 CA ALA A 14 -6.440 7.095 -9.054 1.00 0.00 C ATOM 412 C ALA A 14 -5.461 6.867 -10.219 1.00 0.00 C ATOM 413 O ALA A 14 -5.566 5.888 -10.947 1.00 0.00 O ATOM 414 CB ALA A 14 -6.636 8.590 -8.771 1.00 0.00 C ATOM 0 H ALA A 14 -5.004 6.964 -7.473 1.00 0.00 H new ATOM 0 HA ALA A 14 -7.375 6.616 -9.345 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -7.047 9.077 -9.655 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -7.324 8.715 -7.935 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -5.676 9.042 -8.522 1.00 0.00 H new ATOM 420 N SER A 15 -4.509 7.753 -10.397 1.00 0.00 N ATOM 421 CA SER A 15 -3.513 7.588 -11.501 1.00 0.00 C ATOM 422 C SER A 15 -2.320 8.525 -11.301 1.00 0.00 C ATOM 423 O SER A 15 -2.012 9.340 -12.148 1.00 0.00 O ATOM 424 CB SER A 15 -4.243 7.925 -12.802 1.00 0.00 C ATOM 425 OG SER A 15 -3.450 7.467 -13.899 1.00 0.00 O ATOM 0 H SER A 15 -4.380 8.586 -9.822 1.00 0.00 H new ATOM 0 HA SER A 15 -3.121 6.571 -11.520 1.00 0.00 H new ATOM 0 HB2 SER A 15 -5.224 7.450 -12.820 1.00 0.00 H new ATOM 0 HB3 SER A 15 -4.408 9.000 -12.876 1.00 0.00 H new ATOM 0 HG SER A 15 -4.035 7.105 -14.597 1.00 0.00 H new ATOM 431 N LEU A 16 -1.630 8.389 -10.202 1.00 0.00 N ATOM 432 CA LEU A 16 -0.421 9.239 -9.956 1.00 0.00 C ATOM 433 C LEU A 16 0.723 8.691 -10.828 1.00 0.00 C ATOM 434 O LEU A 16 0.508 8.316 -11.973 1.00 0.00 O ATOM 435 CB LEU A 16 -0.121 9.072 -8.452 1.00 0.00 C ATOM 436 CG LEU A 16 0.148 7.588 -8.130 1.00 0.00 C ATOM 437 CD1 LEU A 16 1.455 7.444 -7.340 1.00 0.00 C ATOM 438 CD2 LEU A 16 -1.005 7.022 -7.296 1.00 0.00 C ATOM 0 H LEU A 16 -1.849 7.725 -9.459 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.554 10.292 -10.205 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.744 9.675 -8.176 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.963 9.434 -7.862 1.00 0.00 H new ATOM 0 HG LEU A 16 0.231 7.038 -9.068 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.633 6.391 -7.119 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.283 7.836 -7.931 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.380 8.003 -6.407 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.811 5.973 -7.071 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.091 7.583 -6.365 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.936 7.106 -7.857 1.00 0.00 H new ATOM 450 N THR A 17 1.917 8.576 -10.311 1.00 0.00 N ATOM 451 CA THR A 17 2.999 7.985 -11.133 1.00 0.00 C ATOM 452 C THR A 17 2.786 6.476 -11.151 1.00 0.00 C ATOM 453 O THR A 17 2.014 5.942 -10.376 1.00 0.00 O ATOM 454 CB THR A 17 4.312 8.323 -10.426 1.00 0.00 C ATOM 455 OG1 THR A 17 4.139 8.207 -9.019 1.00 0.00 O ATOM 456 CG2 THR A 17 4.728 9.752 -10.775 1.00 0.00 C ATOM 0 H THR A 17 2.183 8.862 -9.369 1.00 0.00 H new ATOM 0 HA THR A 17 3.010 8.362 -12.156 1.00 0.00 H new ATOM 0 HB THR A 17 5.088 7.631 -10.753 1.00 0.00 H new ATOM 0 HG1 THR A 17 5.011 8.264 -8.576 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.664 9.992 -10.271 1.00 0.00 H new ATOM 0 HG22 THR A 17 4.864 9.838 -11.853 1.00 0.00 H new ATOM 0 HG23 THR A 17 3.953 10.446 -10.451 1.00 0.00 H new ATOM 464 N ARG A 18 3.444 5.779 -12.016 1.00 0.00 N ATOM 465 CA ARG A 18 3.253 4.304 -12.053 1.00 0.00 C ATOM 466 C ARG A 18 4.254 3.632 -11.099 1.00 0.00 C ATOM 467 O ARG A 18 4.512 4.131 -10.018 1.00 0.00 O ATOM 468 CB ARG A 18 3.433 3.865 -13.513 1.00 0.00 C ATOM 469 CG ARG A 18 2.716 4.839 -14.461 1.00 0.00 C ATOM 470 CD ARG A 18 1.211 4.794 -14.190 1.00 0.00 C ATOM 471 NE ARG A 18 0.672 6.052 -14.788 1.00 0.00 N ATOM 472 CZ ARG A 18 -0.573 6.368 -14.616 1.00 0.00 C ATOM 473 NH1 ARG A 18 -1.479 5.872 -15.395 1.00 0.00 N ATOM 474 NH2 ARG A 18 -0.913 7.169 -13.661 1.00 0.00 N ATOM 0 H ARG A 18 4.103 6.156 -12.697 1.00 0.00 H new ATOM 0 HA ARG A 18 2.260 4.007 -11.715 1.00 0.00 H new ATOM 0 HB2 ARG A 18 4.494 3.825 -13.758 1.00 0.00 H new ATOM 0 HB3 ARG A 18 3.036 2.859 -13.648 1.00 0.00 H new ATOM 0 HG2 ARG A 18 3.093 5.851 -14.314 1.00 0.00 H new ATOM 0 HG3 ARG A 18 2.918 4.570 -15.498 1.00 0.00 H new ATOM 0 HD2 ARG A 18 0.755 3.914 -14.644 1.00 0.00 H new ATOM 0 HD3 ARG A 18 1.004 4.745 -13.121 1.00 0.00 H new ATOM 0 HE ARG A 18 1.283 6.662 -15.331 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -1.213 5.233 -16.144 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -2.459 6.120 -15.260 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -0.201 7.554 -13.041 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -1.894 7.416 -13.528 1.00 0.00 H new ATOM 488 N ALA A 19 4.786 2.498 -11.471 1.00 0.00 N ATOM 489 CA ALA A 19 5.742 1.755 -10.581 1.00 0.00 C ATOM 490 C ALA A 19 6.793 2.677 -9.950 1.00 0.00 C ATOM 491 O ALA A 19 7.305 2.394 -8.889 1.00 0.00 O ATOM 492 CB ALA A 19 6.429 0.769 -11.518 1.00 0.00 C ATOM 0 H ALA A 19 4.599 2.044 -12.365 1.00 0.00 H new ATOM 0 HA ALA A 19 5.219 1.286 -9.748 1.00 0.00 H new ATOM 0 HB1 ALA A 19 7.151 0.176 -10.956 1.00 0.00 H new ATOM 0 HB2 ALA A 19 5.684 0.109 -11.961 1.00 0.00 H new ATOM 0 HB3 ALA A 19 6.944 1.316 -12.307 1.00 0.00 H new ATOM 498 N GLN A 20 7.115 3.776 -10.576 1.00 0.00 N ATOM 499 CA GLN A 20 8.124 4.704 -9.982 1.00 0.00 C ATOM 500 C GLN A 20 7.721 5.080 -8.535 1.00 0.00 C ATOM 501 O GLN A 20 8.565 5.276 -7.681 1.00 0.00 O ATOM 502 CB GLN A 20 8.122 5.923 -10.921 1.00 0.00 C ATOM 503 CG GLN A 20 7.541 7.146 -10.213 1.00 0.00 C ATOM 504 CD GLN A 20 7.369 8.277 -11.219 1.00 0.00 C ATOM 505 OE1 GLN A 20 6.744 8.101 -12.243 1.00 0.00 O ATOM 506 NE2 GLN A 20 7.886 9.441 -10.969 1.00 0.00 N ATOM 0 H GLN A 20 6.725 4.072 -11.471 1.00 0.00 H new ATOM 0 HA GLN A 20 9.118 4.265 -9.904 1.00 0.00 H new ATOM 0 HB2 GLN A 20 9.139 6.136 -11.251 1.00 0.00 H new ATOM 0 HB3 GLN A 20 7.537 5.701 -11.813 1.00 0.00 H new ATOM 0 HG2 GLN A 20 6.581 6.897 -9.761 1.00 0.00 H new ATOM 0 HG3 GLN A 20 8.201 7.460 -9.405 1.00 0.00 H new ATOM 0 HE21 GLN A 20 8.412 9.591 -10.108 1.00 0.00 H new ATOM 0 HE22 GLN A 20 7.766 10.206 -11.633 1.00 0.00 H new ATOM 515 N ALA A 21 6.437 5.169 -8.260 1.00 0.00 N ATOM 516 CA ALA A 21 5.971 5.525 -6.879 1.00 0.00 C ATOM 517 C ALA A 21 6.205 4.360 -5.903 1.00 0.00 C ATOM 518 O ALA A 21 6.888 4.503 -4.900 1.00 0.00 O ATOM 519 CB ALA A 21 4.473 5.810 -7.037 1.00 0.00 C ATOM 0 H ALA A 21 5.690 5.009 -8.936 1.00 0.00 H new ATOM 0 HA ALA A 21 6.513 6.377 -6.469 1.00 0.00 H new ATOM 0 HB1 ALA A 21 4.050 6.080 -6.069 1.00 0.00 H new ATOM 0 HB2 ALA A 21 4.331 6.633 -7.737 1.00 0.00 H new ATOM 0 HB3 ALA A 21 3.971 4.920 -7.417 1.00 0.00 H new ATOM 525 N GLU A 22 5.653 3.209 -6.188 1.00 0.00 N ATOM 526 CA GLU A 22 5.847 2.040 -5.271 1.00 0.00 C ATOM 527 C GLU A 22 7.318 1.614 -5.276 1.00 0.00 C ATOM 528 O GLU A 22 7.870 1.270 -4.249 1.00 0.00 O ATOM 529 CB GLU A 22 4.946 0.923 -5.812 1.00 0.00 C ATOM 530 CG GLU A 22 3.541 1.479 -6.111 1.00 0.00 C ATOM 531 CD GLU A 22 2.461 0.447 -5.772 1.00 0.00 C ATOM 532 OE1 GLU A 22 2.767 -0.735 -5.735 1.00 0.00 O ATOM 533 OE2 GLU A 22 1.337 0.863 -5.565 1.00 0.00 O ATOM 0 H GLU A 22 5.079 3.026 -7.011 1.00 0.00 H new ATOM 0 HA GLU A 22 5.588 2.281 -4.240 1.00 0.00 H new ATOM 0 HB2 GLU A 22 5.380 0.501 -6.719 1.00 0.00 H new ATOM 0 HB3 GLU A 22 4.879 0.114 -5.085 1.00 0.00 H new ATOM 0 HG2 GLU A 22 3.375 2.388 -5.533 1.00 0.00 H new ATOM 0 HG3 GLU A 22 3.470 1.753 -7.164 1.00 0.00 H new ATOM 540 N HIS A 23 7.972 1.666 -6.413 1.00 0.00 N ATOM 541 CA HIS A 23 9.417 1.290 -6.460 1.00 0.00 C ATOM 542 C HIS A 23 10.210 2.274 -5.584 1.00 0.00 C ATOM 543 O HIS A 23 11.063 1.872 -4.812 1.00 0.00 O ATOM 544 CB HIS A 23 9.818 1.396 -7.940 1.00 0.00 C ATOM 545 CG HIS A 23 11.094 0.631 -8.182 1.00 0.00 C ATOM 546 ND1 HIS A 23 11.130 -0.543 -8.924 1.00 0.00 N ATOM 547 CD2 HIS A 23 12.389 0.863 -7.789 1.00 0.00 C ATOM 548 CE1 HIS A 23 12.407 -0.967 -8.949 1.00 0.00 C ATOM 549 NE2 HIS A 23 13.215 -0.147 -8.273 1.00 0.00 N ATOM 0 H HIS A 23 7.568 1.951 -7.305 1.00 0.00 H new ATOM 0 HA HIS A 23 9.616 0.287 -6.082 1.00 0.00 H new ATOM 0 HB2 HIS A 23 9.022 1.001 -8.571 1.00 0.00 H new ATOM 0 HB3 HIS A 23 9.953 2.442 -8.215 1.00 0.00 H new ATOM 0 HD2 HIS A 23 12.717 1.703 -7.194 1.00 0.00 H new ATOM 0 HE1 HIS A 23 12.738 -1.862 -9.455 1.00 0.00 H new ATOM 0 HE2 HIS A 23 14.222 -0.241 -8.140 1.00 0.00 H new ATOM 557 N MET A 24 9.908 3.559 -5.662 1.00 0.00 N ATOM 558 CA MET A 24 10.629 4.541 -4.789 1.00 0.00 C ATOM 559 C MET A 24 10.375 4.191 -3.321 1.00 0.00 C ATOM 560 O MET A 24 11.284 4.147 -2.520 1.00 0.00 O ATOM 561 CB MET A 24 10.020 5.912 -5.115 1.00 0.00 C ATOM 562 CG MET A 24 10.446 6.946 -4.056 1.00 0.00 C ATOM 563 SD MET A 24 12.107 7.553 -4.443 1.00 0.00 S ATOM 564 CE MET A 24 11.632 9.232 -4.926 1.00 0.00 C ATOM 0 H MET A 24 9.205 3.959 -6.283 1.00 0.00 H new ATOM 0 HA MET A 24 11.706 4.532 -4.959 1.00 0.00 H new ATOM 0 HB2 MET A 24 10.345 6.237 -6.103 1.00 0.00 H new ATOM 0 HB3 MET A 24 8.933 5.838 -5.145 1.00 0.00 H new ATOM 0 HG2 MET A 24 9.739 7.775 -4.037 1.00 0.00 H new ATOM 0 HG3 MET A 24 10.434 6.494 -3.064 1.00 0.00 H new ATOM 0 HE1 MET A 24 12.522 9.795 -5.209 1.00 0.00 H new ATOM 0 HE2 MET A 24 10.946 9.187 -5.772 1.00 0.00 H new ATOM 0 HE3 MET A 24 11.142 9.727 -4.088 1.00 0.00 H new ATOM 574 N LEU A 25 9.139 3.944 -2.968 1.00 0.00 N ATOM 575 CA LEU A 25 8.816 3.607 -1.548 1.00 0.00 C ATOM 576 C LEU A 25 9.463 2.290 -1.127 1.00 0.00 C ATOM 577 O LEU A 25 10.183 2.245 -0.158 1.00 0.00 O ATOM 578 CB LEU A 25 7.299 3.513 -1.495 1.00 0.00 C ATOM 579 CG LEU A 25 6.663 4.893 -1.701 1.00 0.00 C ATOM 580 CD1 LEU A 25 5.488 5.026 -0.750 1.00 0.00 C ATOM 581 CD2 LEU A 25 7.653 6.025 -1.407 1.00 0.00 C ATOM 0 H LEU A 25 8.340 3.961 -3.601 1.00 0.00 H new ATOM 0 HA LEU A 25 9.201 4.360 -0.860 1.00 0.00 H new ATOM 0 HB2 LEU A 25 6.945 2.826 -2.263 1.00 0.00 H new ATOM 0 HB3 LEU A 25 6.988 3.104 -0.534 1.00 0.00 H new ATOM 0 HG LEU A 25 6.350 4.973 -2.742 1.00 0.00 H new ATOM 0 HD11 LEU A 25 5.022 6.002 -0.882 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.758 4.244 -0.961 1.00 0.00 H new ATOM 0 HD13 LEU A 25 5.838 4.927 0.277 1.00 0.00 H new ATOM 0 HD21 LEU A 25 7.164 6.986 -1.565 1.00 0.00 H new ATOM 0 HD22 LEU A 25 7.990 5.954 -0.373 1.00 0.00 H new ATOM 0 HD23 LEU A 25 8.511 5.941 -2.074 1.00 0.00 H new ATOM 593 N MET A 26 9.236 1.221 -1.839 1.00 0.00 N ATOM 594 CA MET A 26 9.886 -0.070 -1.445 1.00 0.00 C ATOM 595 C MET A 26 11.397 0.157 -1.268 1.00 0.00 C ATOM 596 O MET A 26 12.028 -0.381 -0.370 1.00 0.00 O ATOM 597 CB MET A 26 9.617 -1.029 -2.612 1.00 0.00 C ATOM 598 CG MET A 26 8.843 -2.249 -2.109 1.00 0.00 C ATOM 599 SD MET A 26 7.164 -1.752 -1.653 1.00 0.00 S ATOM 600 CE MET A 26 6.565 -1.372 -3.319 1.00 0.00 C ATOM 0 H MET A 26 8.639 1.180 -2.665 1.00 0.00 H new ATOM 0 HA MET A 26 9.500 -0.467 -0.506 1.00 0.00 H new ATOM 0 HB2 MET A 26 9.047 -0.520 -3.390 1.00 0.00 H new ATOM 0 HB3 MET A 26 10.559 -1.344 -3.061 1.00 0.00 H new ATOM 0 HG2 MET A 26 8.809 -3.016 -2.883 1.00 0.00 H new ATOM 0 HG3 MET A 26 9.351 -2.686 -1.249 1.00 0.00 H new ATOM 0 HE1 MET A 26 6.429 -0.295 -3.420 1.00 0.00 H new ATOM 0 HE2 MET A 26 7.292 -1.716 -4.054 1.00 0.00 H new ATOM 0 HE3 MET A 26 5.613 -1.875 -3.487 1.00 0.00 H new ATOM 610 N ARG A 27 11.969 0.950 -2.143 1.00 0.00 N ATOM 611 CA ARG A 27 13.434 1.240 -2.093 1.00 0.00 C ATOM 612 C ARG A 27 13.824 2.355 -1.092 1.00 0.00 C ATOM 613 O ARG A 27 15.001 2.522 -0.826 1.00 0.00 O ATOM 614 CB ARG A 27 13.809 1.628 -3.532 1.00 0.00 C ATOM 615 CG ARG A 27 13.650 3.142 -3.755 1.00 0.00 C ATOM 616 CD ARG A 27 14.992 3.740 -4.194 1.00 0.00 C ATOM 617 NE ARG A 27 15.569 4.347 -2.957 1.00 0.00 N ATOM 618 CZ ARG A 27 16.220 5.473 -3.017 1.00 0.00 C ATOM 619 NH1 ARG A 27 15.596 6.571 -3.318 1.00 0.00 N ATOM 620 NH2 ARG A 27 17.493 5.495 -2.777 1.00 0.00 N ATOM 0 H ARG A 27 11.472 1.416 -2.902 1.00 0.00 H new ATOM 0 HA ARG A 27 13.977 0.367 -1.731 1.00 0.00 H new ATOM 0 HB2 ARG A 27 14.839 1.333 -3.735 1.00 0.00 H new ATOM 0 HB3 ARG A 27 13.177 1.085 -4.235 1.00 0.00 H new ATOM 0 HG2 ARG A 27 12.891 3.330 -4.514 1.00 0.00 H new ATOM 0 HG3 ARG A 27 13.309 3.621 -2.837 1.00 0.00 H new ATOM 0 HD2 ARG A 27 15.651 2.973 -4.602 1.00 0.00 H new ATOM 0 HD3 ARG A 27 14.854 4.489 -4.974 1.00 0.00 H new ATOM 0 HE ARG A 27 15.452 3.876 -2.060 1.00 0.00 H new ATOM 0 HH11 ARG A 27 14.594 6.553 -3.508 1.00 0.00 H new ATOM 0 HH12 ARG A 27 16.108 7.452 -3.364 1.00 0.00 H new ATOM 0 HH21 ARG A 27 17.983 4.632 -2.542 1.00 0.00 H new ATOM 0 HH22 ARG A 27 18.006 6.376 -2.823 1.00 0.00 H new ATOM 634 N VAL A 28 12.904 3.178 -0.595 1.00 0.00 N ATOM 635 CA VAL A 28 13.345 4.303 0.327 1.00 0.00 C ATOM 636 C VAL A 28 14.373 3.859 1.389 1.00 0.00 C ATOM 637 O VAL A 28 14.546 2.684 1.668 1.00 0.00 O ATOM 638 CB VAL A 28 12.099 4.858 1.024 1.00 0.00 C ATOM 639 CG1 VAL A 28 11.223 5.570 0.003 1.00 0.00 C ATOM 640 CG2 VAL A 28 11.314 3.736 1.696 1.00 0.00 C ATOM 0 H VAL A 28 11.902 3.124 -0.779 1.00 0.00 H new ATOM 0 HA VAL A 28 13.842 5.058 -0.282 1.00 0.00 H new ATOM 0 HB VAL A 28 12.410 5.565 1.793 1.00 0.00 H new ATOM 0 HG11 VAL A 28 10.336 5.966 0.498 1.00 0.00 H new ATOM 0 HG12 VAL A 28 11.783 6.389 -0.448 1.00 0.00 H new ATOM 0 HG13 VAL A 28 10.922 4.866 -0.773 1.00 0.00 H new ATOM 0 HG21 VAL A 28 10.433 4.151 2.185 1.00 0.00 H new ATOM 0 HG22 VAL A 28 11.004 3.009 0.946 1.00 0.00 H new ATOM 0 HG23 VAL A 28 11.944 3.245 2.438 1.00 0.00 H new ATOM 650 N PRO A 29 15.024 4.857 1.939 1.00 0.00 N ATOM 651 CA PRO A 29 16.085 4.663 2.982 1.00 0.00 C ATOM 652 C PRO A 29 15.544 4.019 4.267 1.00 0.00 C ATOM 653 O PRO A 29 16.265 3.333 4.974 1.00 0.00 O ATOM 654 CB PRO A 29 16.543 6.097 3.269 1.00 0.00 C ATOM 655 CG PRO A 29 15.367 6.933 2.880 1.00 0.00 C ATOM 656 CD PRO A 29 14.827 6.283 1.652 1.00 0.00 C ATOM 0 HA PRO A 29 16.874 3.993 2.641 1.00 0.00 H new ATOM 0 HB2 PRO A 29 16.799 6.232 4.320 1.00 0.00 H new ATOM 0 HB3 PRO A 29 17.428 6.358 2.689 1.00 0.00 H new ATOM 0 HG2 PRO A 29 14.621 6.960 3.674 1.00 0.00 H new ATOM 0 HG3 PRO A 29 15.662 7.964 2.685 1.00 0.00 H new ATOM 0 HD2 PRO A 29 13.776 6.524 1.493 1.00 0.00 H new ATOM 0 HD3 PRO A 29 15.365 6.595 0.757 1.00 0.00 H new ATOM 664 N ARG A 30 14.304 4.252 4.599 1.00 0.00 N ATOM 665 CA ARG A 30 13.750 3.669 5.857 1.00 0.00 C ATOM 666 C ARG A 30 12.539 2.777 5.557 1.00 0.00 C ATOM 667 O ARG A 30 11.980 2.813 4.479 1.00 0.00 O ATOM 668 CB ARG A 30 13.362 4.881 6.710 1.00 0.00 C ATOM 669 CG ARG A 30 14.627 5.639 7.125 1.00 0.00 C ATOM 670 CD ARG A 30 15.120 5.134 8.488 1.00 0.00 C ATOM 671 NE ARG A 30 16.390 4.396 8.196 1.00 0.00 N ATOM 672 CZ ARG A 30 17.424 5.022 7.713 1.00 0.00 C ATOM 673 NH1 ARG A 30 18.067 5.876 8.445 1.00 0.00 N ATOM 674 NH2 ARG A 30 17.809 4.784 6.500 1.00 0.00 N ATOM 0 H ARG A 30 13.651 4.818 4.057 1.00 0.00 H new ATOM 0 HA ARG A 30 14.467 3.029 6.371 1.00 0.00 H new ATOM 0 HB2 ARG A 30 12.699 5.538 6.147 1.00 0.00 H new ATOM 0 HB3 ARG A 30 12.813 4.556 7.594 1.00 0.00 H new ATOM 0 HG2 ARG A 30 15.405 5.502 6.374 1.00 0.00 H new ATOM 0 HG3 ARG A 30 14.419 6.708 7.178 1.00 0.00 H new ATOM 0 HD2 ARG A 30 15.294 5.962 9.175 1.00 0.00 H new ATOM 0 HD3 ARG A 30 14.383 4.481 8.956 1.00 0.00 H new ATOM 0 HE ARG A 30 16.445 3.394 8.377 1.00 0.00 H new ATOM 0 HH11 ARG A 30 17.763 6.059 9.401 1.00 0.00 H new ATOM 0 HH12 ARG A 30 18.877 6.366 8.065 1.00 0.00 H new ATOM 0 HH21 ARG A 30 17.303 4.109 5.927 1.00 0.00 H new ATOM 0 HH22 ARG A 30 18.619 5.272 6.117 1.00 0.00 H new ATOM 688 N ASP A 31 12.152 1.966 6.508 1.00 0.00 N ATOM 689 CA ASP A 31 10.991 1.034 6.316 1.00 0.00 C ATOM 690 C ASP A 31 9.654 1.788 6.257 1.00 0.00 C ATOM 691 O ASP A 31 9.595 2.986 6.435 1.00 0.00 O ATOM 692 CB ASP A 31 11.020 0.116 7.541 1.00 0.00 C ATOM 693 CG ASP A 31 11.595 -1.252 7.170 1.00 0.00 C ATOM 694 OD1 ASP A 31 11.402 -1.682 6.045 1.00 0.00 O ATOM 695 OD2 ASP A 31 12.215 -1.853 8.034 1.00 0.00 O ATOM 0 H ASP A 31 12.596 1.907 7.424 1.00 0.00 H new ATOM 0 HA ASP A 31 11.074 0.492 5.374 1.00 0.00 H new ATOM 0 HB2 ASP A 31 11.622 0.569 8.328 1.00 0.00 H new ATOM 0 HB3 ASP A 31 10.012 -0.002 7.939 1.00 0.00 H new ATOM 700 N GLY A 32 8.578 1.080 6.004 1.00 0.00 N ATOM 701 CA GLY A 32 7.235 1.735 5.931 1.00 0.00 C ATOM 702 C GLY A 32 6.893 2.031 4.475 1.00 0.00 C ATOM 703 O GLY A 32 6.506 1.148 3.737 1.00 0.00 O ATOM 0 H GLY A 32 8.574 0.073 5.844 1.00 0.00 H new ATOM 0 HA2 GLY A 32 6.477 1.085 6.369 1.00 0.00 H new ATOM 0 HA3 GLY A 32 7.237 2.658 6.510 1.00 0.00 H new ATOM 707 N ALA A 33 7.048 3.268 4.063 1.00 0.00 N ATOM 708 CA ALA A 33 6.755 3.666 2.644 1.00 0.00 C ATOM 709 C ALA A 33 5.492 2.970 2.095 1.00 0.00 C ATOM 710 O ALA A 33 5.561 1.944 1.439 1.00 0.00 O ATOM 711 CB ALA A 33 8.003 3.244 1.866 1.00 0.00 C ATOM 0 H ALA A 33 7.370 4.031 4.658 1.00 0.00 H new ATOM 0 HA ALA A 33 6.548 4.733 2.558 1.00 0.00 H new ATOM 0 HB1 ALA A 33 7.878 3.497 0.813 1.00 0.00 H new ATOM 0 HB2 ALA A 33 8.873 3.765 2.264 1.00 0.00 H new ATOM 0 HB3 ALA A 33 8.148 2.168 1.966 1.00 0.00 H new ATOM 717 N PHE A 34 4.343 3.540 2.347 1.00 0.00 N ATOM 718 CA PHE A 34 3.059 2.942 1.840 1.00 0.00 C ATOM 719 C PHE A 34 2.554 3.768 0.647 1.00 0.00 C ATOM 720 O PHE A 34 2.748 4.968 0.612 1.00 0.00 O ATOM 721 CB PHE A 34 2.064 3.040 3.011 1.00 0.00 C ATOM 722 CG PHE A 34 2.752 2.730 4.327 1.00 0.00 C ATOM 723 CD1 PHE A 34 2.983 1.403 4.701 1.00 0.00 C ATOM 724 CD2 PHE A 34 3.159 3.773 5.171 1.00 0.00 C ATOM 725 CE1 PHE A 34 3.617 1.116 5.915 1.00 0.00 C ATOM 726 CE2 PHE A 34 3.794 3.486 6.386 1.00 0.00 C ATOM 727 CZ PHE A 34 4.024 2.157 6.758 1.00 0.00 C ATOM 0 H PHE A 34 4.232 4.399 2.885 1.00 0.00 H new ATOM 0 HA PHE A 34 3.184 1.911 1.509 1.00 0.00 H new ATOM 0 HB2 PHE A 34 1.634 4.041 3.047 1.00 0.00 H new ATOM 0 HB3 PHE A 34 1.240 2.345 2.853 1.00 0.00 H new ATOM 0 HD1 PHE A 34 2.672 0.598 4.052 1.00 0.00 H new ATOM 0 HD2 PHE A 34 2.983 4.799 4.884 1.00 0.00 H new ATOM 0 HE1 PHE A 34 3.793 0.090 6.202 1.00 0.00 H new ATOM 0 HE2 PHE A 34 4.106 4.290 7.036 1.00 0.00 H new ATOM 0 HZ PHE A 34 4.515 1.935 7.694 1.00 0.00 H new ATOM 737 N LEU A 35 1.913 3.160 -0.335 1.00 0.00 N ATOM 738 CA LEU A 35 1.423 3.977 -1.505 1.00 0.00 C ATOM 739 C LEU A 35 0.736 3.095 -2.554 1.00 0.00 C ATOM 740 O LEU A 35 1.281 2.104 -2.988 1.00 0.00 O ATOM 741 CB LEU A 35 2.695 4.622 -2.092 1.00 0.00 C ATOM 742 CG LEU A 35 2.435 5.181 -3.499 1.00 0.00 C ATOM 743 CD1 LEU A 35 1.320 6.227 -3.444 1.00 0.00 C ATOM 744 CD2 LEU A 35 3.715 5.839 -4.026 1.00 0.00 C ATOM 0 H LEU A 35 1.712 2.161 -0.378 1.00 0.00 H new ATOM 0 HA LEU A 35 0.682 4.715 -1.199 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.035 5.424 -1.436 1.00 0.00 H new ATOM 0 HB3 LEU A 35 3.495 3.883 -2.133 1.00 0.00 H new ATOM 0 HG LEU A 35 2.136 4.367 -4.159 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.140 6.620 -4.445 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.407 5.767 -3.065 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.617 7.041 -2.783 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.535 6.237 -5.025 1.00 0.00 H new ATOM 0 HD22 LEU A 35 4.008 6.650 -3.359 1.00 0.00 H new ATOM 0 HD23 LEU A 35 4.514 5.098 -4.069 1.00 0.00 H new ATOM 756 N VAL A 36 -0.447 3.463 -2.978 1.00 0.00 N ATOM 757 CA VAL A 36 -1.154 2.656 -4.022 1.00 0.00 C ATOM 758 C VAL A 36 -1.105 3.417 -5.366 1.00 0.00 C ATOM 759 O VAL A 36 -1.593 4.531 -5.487 1.00 0.00 O ATOM 760 CB VAL A 36 -2.588 2.459 -3.492 1.00 0.00 C ATOM 761 CG1 VAL A 36 -2.535 1.648 -2.195 1.00 0.00 C ATOM 762 CG2 VAL A 36 -3.255 3.810 -3.198 1.00 0.00 C ATOM 0 H VAL A 36 -0.953 4.285 -2.648 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.696 1.684 -4.206 1.00 0.00 H new ATOM 0 HB VAL A 36 -3.168 1.936 -4.252 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.546 1.505 -1.814 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -2.080 0.677 -2.391 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.941 2.184 -1.455 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -4.266 3.643 -2.825 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -2.675 4.346 -2.447 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -3.298 4.401 -4.113 1.00 0.00 H new ATOM 772 N ARG A 37 -0.470 2.844 -6.360 1.00 0.00 N ATOM 773 CA ARG A 37 -0.318 3.547 -7.678 1.00 0.00 C ATOM 774 C ARG A 37 -1.092 2.855 -8.811 1.00 0.00 C ATOM 775 O ARG A 37 -1.526 1.722 -8.690 1.00 0.00 O ATOM 776 CB ARG A 37 1.207 3.549 -7.935 1.00 0.00 C ATOM 777 CG ARG A 37 1.565 2.883 -9.282 1.00 0.00 C ATOM 778 CD ARG A 37 1.205 1.388 -9.255 1.00 0.00 C ATOM 779 NE ARG A 37 2.416 0.676 -9.771 1.00 0.00 N ATOM 780 CZ ARG A 37 2.550 0.393 -11.034 1.00 0.00 C ATOM 781 NH1 ARG A 37 2.106 1.185 -11.946 1.00 0.00 N ATOM 782 NH2 ARG A 37 3.126 -0.702 -11.387 1.00 0.00 N ATOM 0 H ARG A 37 -0.048 1.916 -6.317 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.736 4.553 -7.650 1.00 0.00 H new ATOM 0 HB2 ARG A 37 1.575 4.575 -7.928 1.00 0.00 H new ATOM 0 HB3 ARG A 37 1.712 3.024 -7.125 1.00 0.00 H new ATOM 0 HG2 ARG A 37 1.030 3.378 -10.093 1.00 0.00 H new ATOM 0 HG3 ARG A 37 2.630 3.003 -9.483 1.00 0.00 H new ATOM 0 HD2 ARG A 37 0.959 1.062 -8.245 1.00 0.00 H new ATOM 0 HD3 ARG A 37 0.334 1.183 -9.877 1.00 0.00 H new ATOM 0 HE ARG A 37 3.152 0.407 -9.119 1.00 0.00 H new ATOM 0 HH11 ARG A 37 1.639 2.053 -11.684 1.00 0.00 H new ATOM 0 HH12 ARG A 37 2.221 0.945 -12.931 1.00 0.00 H new ATOM 0 HH21 ARG A 37 3.476 -1.346 -10.678 1.00 0.00 H new ATOM 0 HH22 ARG A 37 3.232 -0.926 -12.376 1.00 0.00 H new ATOM 796 N LYS A 38 -1.259 3.546 -9.920 1.00 0.00 N ATOM 797 CA LYS A 38 -1.992 2.968 -11.085 1.00 0.00 C ATOM 798 C LYS A 38 -1.044 2.111 -11.923 1.00 0.00 C ATOM 799 O LYS A 38 0.103 2.459 -12.120 1.00 0.00 O ATOM 800 CB LYS A 38 -2.488 4.183 -11.871 1.00 0.00 C ATOM 801 CG LYS A 38 -3.450 3.736 -12.976 1.00 0.00 C ATOM 802 CD LYS A 38 -4.672 3.051 -12.352 1.00 0.00 C ATOM 803 CE LYS A 38 -5.932 3.400 -13.149 1.00 0.00 C ATOM 804 NZ LYS A 38 -6.781 4.177 -12.200 1.00 0.00 N ATOM 0 H LYS A 38 -0.913 4.495 -10.063 1.00 0.00 H new ATOM 0 HA LYS A 38 -2.816 2.318 -10.790 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -2.990 4.880 -11.200 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -1.642 4.714 -12.307 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -3.765 4.596 -13.567 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -2.945 3.050 -13.656 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -4.527 1.971 -12.340 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -4.788 3.369 -11.316 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -5.690 3.987 -14.035 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -6.444 2.501 -13.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -7.563 4.625 -12.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -7.168 3.538 -11.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -6.205 4.911 -11.741 1.00 0.00 H new ATOM 818 N ARG A 39 -1.517 0.989 -12.394 1.00 0.00 N ATOM 819 CA ARG A 39 -0.663 0.065 -13.198 1.00 0.00 C ATOM 820 C ARG A 39 -0.860 0.275 -14.694 1.00 0.00 C ATOM 821 O ARG A 39 -1.837 0.854 -15.130 1.00 0.00 O ATOM 822 CB ARG A 39 -1.145 -1.319 -12.815 1.00 0.00 C ATOM 823 CG ARG A 39 -0.373 -1.805 -11.602 1.00 0.00 C ATOM 824 CD ARG A 39 -0.283 -3.316 -11.676 1.00 0.00 C ATOM 825 NE ARG A 39 0.749 -3.582 -12.729 1.00 0.00 N ATOM 826 CZ ARG A 39 0.406 -3.861 -13.949 1.00 0.00 C ATOM 827 NH1 ARG A 39 -0.490 -4.763 -14.185 1.00 0.00 N ATOM 828 NH2 ARG A 39 0.987 -3.265 -14.942 1.00 0.00 N ATOM 0 H ARG A 39 -2.475 0.668 -12.254 1.00 0.00 H new ATOM 0 HA ARG A 39 0.396 0.228 -13.000 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -2.212 -1.296 -12.595 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -1.006 -2.008 -13.648 1.00 0.00 H new ATOM 0 HG2 ARG A 39 0.624 -1.365 -11.584 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -0.874 -1.498 -10.684 1.00 0.00 H new ATOM 0 HD2 ARG A 39 0.010 -3.743 -10.717 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.243 -3.758 -11.942 1.00 0.00 H new ATOM 0 HE ARG A 39 1.738 -3.543 -12.483 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -0.931 -5.259 -13.410 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -0.756 -4.978 -15.146 1.00 0.00 H new ATOM 0 HH21 ARG A 39 1.716 -2.574 -14.766 1.00 0.00 H new ATOM 0 HH22 ARG A 39 0.715 -3.487 -15.900 1.00 0.00 H new ATOM 842 N ASN A 40 0.064 -0.198 -15.485 1.00 0.00 N ATOM 843 CA ASN A 40 -0.070 -0.041 -16.960 1.00 0.00 C ATOM 844 C ASN A 40 -1.337 -0.762 -17.469 1.00 0.00 C ATOM 845 O ASN A 40 -1.929 -0.359 -18.454 1.00 0.00 O ATOM 846 CB ASN A 40 1.192 -0.684 -17.548 1.00 0.00 C ATOM 847 CG ASN A 40 1.167 -0.574 -19.073 1.00 0.00 C ATOM 848 OD1 ASN A 40 1.577 0.424 -19.626 1.00 0.00 O ATOM 849 ND2 ASN A 40 0.695 -1.559 -19.784 1.00 0.00 N ATOM 0 H ASN A 40 0.904 -0.685 -15.174 1.00 0.00 H new ATOM 0 HA ASN A 40 -0.167 1.005 -17.252 1.00 0.00 H new ATOM 0 HB2 ASN A 40 2.080 -0.191 -17.153 1.00 0.00 H new ATOM 0 HB3 ASN A 40 1.250 -1.731 -17.251 1.00 0.00 H new ATOM 0 HD21 ASN A 40 0.672 -1.488 -20.801 1.00 0.00 H new ATOM 0 HD22 ASN A 40 0.349 -2.401 -19.323 1.00 0.00 H new ATOM 856 N GLU A 41 -1.752 -1.823 -16.808 1.00 0.00 N ATOM 857 CA GLU A 41 -2.976 -2.568 -17.259 1.00 0.00 C ATOM 858 C GLU A 41 -4.254 -1.814 -16.826 1.00 0.00 C ATOM 859 O GLU A 41 -4.219 -1.016 -15.906 1.00 0.00 O ATOM 860 CB GLU A 41 -2.898 -3.957 -16.564 1.00 0.00 C ATOM 861 CG GLU A 41 -2.026 -4.947 -17.369 1.00 0.00 C ATOM 862 CD GLU A 41 -0.753 -4.262 -17.872 1.00 0.00 C ATOM 863 OE1 GLU A 41 0.169 -4.131 -17.087 1.00 0.00 O ATOM 864 OE2 GLU A 41 -0.720 -3.877 -19.027 1.00 0.00 O ATOM 0 H GLU A 41 -1.297 -2.203 -15.978 1.00 0.00 H new ATOM 0 HA GLU A 41 -3.016 -2.664 -18.344 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.486 -3.840 -15.562 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -3.902 -4.365 -16.451 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.763 -5.800 -16.743 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.594 -5.335 -18.214 1.00 0.00 H new ATOM 871 N PRO A 42 -5.352 -2.104 -17.500 1.00 0.00 N ATOM 872 CA PRO A 42 -6.658 -1.451 -17.171 1.00 0.00 C ATOM 873 C PRO A 42 -7.119 -1.897 -15.779 1.00 0.00 C ATOM 874 O PRO A 42 -6.826 -3.005 -15.368 1.00 0.00 O ATOM 875 CB PRO A 42 -7.599 -1.967 -18.263 1.00 0.00 C ATOM 876 CG PRO A 42 -6.980 -3.250 -18.715 1.00 0.00 C ATOM 877 CD PRO A 42 -5.490 -3.058 -18.610 1.00 0.00 C ATOM 0 HA PRO A 42 -6.614 -0.362 -17.146 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -8.606 -2.126 -17.877 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -7.682 -1.255 -19.084 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -7.310 -4.082 -18.093 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -7.271 -3.483 -19.739 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -4.977 -3.997 -18.401 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -5.069 -2.664 -19.535 1.00 0.00 H new ATOM 885 N ASN A 43 -7.816 -1.044 -15.038 1.00 0.00 N ATOM 886 CA ASN A 43 -8.272 -1.416 -13.640 1.00 0.00 C ATOM 887 C ASN A 43 -7.038 -1.579 -12.742 1.00 0.00 C ATOM 888 O ASN A 43 -6.849 -0.865 -11.777 1.00 0.00 O ATOM 889 CB ASN A 43 -9.005 -2.760 -13.773 1.00 0.00 C ATOM 890 CG ASN A 43 -10.253 -2.600 -14.648 1.00 0.00 C ATOM 891 OD1 ASN A 43 -10.155 -2.348 -15.831 1.00 0.00 O ATOM 892 ND2 ASN A 43 -11.431 -2.740 -14.114 1.00 0.00 N ATOM 0 H ASN A 43 -8.088 -0.109 -15.341 1.00 0.00 H new ATOM 0 HA ASN A 43 -8.920 -0.656 -13.203 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -8.339 -3.504 -14.210 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -9.289 -3.127 -12.786 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -12.267 -2.638 -14.689 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -11.518 -2.952 -13.120 1.00 0.00 H new ATOM 899 N SER A 44 -6.210 -2.516 -13.116 1.00 0.00 N ATOM 900 CA SER A 44 -4.925 -2.836 -12.429 1.00 0.00 C ATOM 901 C SER A 44 -4.340 -1.675 -11.617 1.00 0.00 C ATOM 902 O SER A 44 -3.972 -0.639 -12.137 1.00 0.00 O ATOM 903 CB SER A 44 -4.038 -3.157 -13.616 1.00 0.00 C ATOM 904 OG SER A 44 -4.002 -4.564 -13.797 1.00 0.00 O ATOM 0 H SER A 44 -6.388 -3.111 -13.925 1.00 0.00 H new ATOM 0 HA SER A 44 -5.035 -3.627 -11.687 1.00 0.00 H new ATOM 0 HB2 SER A 44 -4.420 -2.671 -14.514 1.00 0.00 H new ATOM 0 HB3 SER A 44 -3.032 -2.773 -13.449 1.00 0.00 H new ATOM 0 HG SER A 44 -4.594 -4.814 -14.537 1.00 0.00 H new ATOM 910 N TYR A 45 -4.225 -1.887 -10.339 1.00 0.00 N ATOM 911 CA TYR A 45 -3.626 -0.884 -9.427 1.00 0.00 C ATOM 912 C TYR A 45 -2.609 -1.624 -8.536 1.00 0.00 C ATOM 913 O TYR A 45 -2.503 -2.831 -8.614 1.00 0.00 O ATOM 914 CB TYR A 45 -4.801 -0.326 -8.621 1.00 0.00 C ATOM 915 CG TYR A 45 -4.478 1.088 -8.263 1.00 0.00 C ATOM 916 CD1 TYR A 45 -4.527 2.074 -9.245 1.00 0.00 C ATOM 917 CD2 TYR A 45 -4.083 1.404 -6.966 1.00 0.00 C ATOM 918 CE1 TYR A 45 -4.183 3.386 -8.930 1.00 0.00 C ATOM 919 CE2 TYR A 45 -3.729 2.711 -6.652 1.00 0.00 C ATOM 920 CZ TYR A 45 -3.776 3.708 -7.634 1.00 0.00 C ATOM 921 OH TYR A 45 -3.400 5.002 -7.329 1.00 0.00 O ATOM 0 H TYR A 45 -4.532 -2.743 -9.877 1.00 0.00 H new ATOM 0 HA TYR A 45 -3.101 -0.072 -9.929 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -5.721 -0.372 -9.204 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -4.964 -0.920 -7.722 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -4.832 1.821 -10.250 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -4.052 0.637 -6.207 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -4.231 4.154 -9.688 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -3.417 2.958 -5.648 1.00 0.00 H new ATOM 0 HH TYR A 45 -2.900 5.007 -6.486 1.00 0.00 H new ATOM 931 N ALA A 46 -1.853 -0.948 -7.714 1.00 0.00 N ATOM 932 CA ALA A 46 -0.855 -1.684 -6.865 1.00 0.00 C ATOM 933 C ALA A 46 -0.770 -1.083 -5.450 1.00 0.00 C ATOM 934 O ALA A 46 -1.335 -0.042 -5.177 1.00 0.00 O ATOM 935 CB ALA A 46 0.469 -1.539 -7.623 1.00 0.00 C ATOM 0 H ALA A 46 -1.876 0.064 -7.590 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.128 -2.728 -6.714 1.00 0.00 H new ATOM 0 HB1 ALA A 46 1.260 -2.049 -7.074 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.371 -1.982 -8.614 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.718 -0.482 -7.721 1.00 0.00 H new ATOM 941 N ILE A 47 -0.078 -1.743 -4.549 1.00 0.00 N ATOM 942 CA ILE A 47 0.051 -1.217 -3.146 1.00 0.00 C ATOM 943 C ILE A 47 1.519 -1.250 -2.691 1.00 0.00 C ATOM 944 O ILE A 47 2.087 -2.309 -2.491 1.00 0.00 O ATOM 945 CB ILE A 47 -0.767 -2.168 -2.260 1.00 0.00 C ATOM 946 CG1 ILE A 47 -2.264 -2.062 -2.583 1.00 0.00 C ATOM 947 CG2 ILE A 47 -0.544 -1.813 -0.786 1.00 0.00 C ATOM 948 CD1 ILE A 47 -3.054 -2.959 -1.629 1.00 0.00 C ATOM 0 H ILE A 47 0.404 -2.625 -4.723 1.00 0.00 H new ATOM 0 HA ILE A 47 -0.299 -0.187 -3.084 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.437 -3.189 -2.454 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -2.596 -1.028 -2.486 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -2.447 -2.360 -3.615 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -1.125 -2.488 -0.157 1.00 0.00 H new ATOM 0 HG22 ILE A 47 0.514 -1.912 -0.544 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -0.863 -0.786 -0.607 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -4.117 -2.885 -1.857 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -2.728 -3.992 -1.748 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -2.880 -2.640 -0.601 1.00 0.00 H new ATOM 960 N SER A 48 2.129 -0.111 -2.497 1.00 0.00 N ATOM 961 CA SER A 48 3.547 -0.097 -2.022 1.00 0.00 C ATOM 962 C SER A 48 3.587 -0.312 -0.508 1.00 0.00 C ATOM 963 O SER A 48 2.912 0.369 0.243 1.00 0.00 O ATOM 964 CB SER A 48 4.096 1.286 -2.362 1.00 0.00 C ATOM 965 OG SER A 48 5.444 1.380 -1.898 1.00 0.00 O ATOM 0 H SER A 48 1.711 0.807 -2.646 1.00 0.00 H new ATOM 0 HA SER A 48 4.134 -0.886 -2.491 1.00 0.00 H new ATOM 0 HB2 SER A 48 4.056 1.452 -3.439 1.00 0.00 H new ATOM 0 HB3 SER A 48 3.483 2.059 -1.897 1.00 0.00 H new ATOM 0 HG SER A 48 5.447 1.592 -0.941 1.00 0.00 H new ATOM 971 N PHE A 49 4.366 -1.252 -0.061 1.00 0.00 N ATOM 972 CA PHE A 49 4.462 -1.522 1.401 1.00 0.00 C ATOM 973 C PHE A 49 5.881 -1.983 1.751 1.00 0.00 C ATOM 974 O PHE A 49 6.276 -3.087 1.422 1.00 0.00 O ATOM 975 CB PHE A 49 3.455 -2.646 1.640 1.00 0.00 C ATOM 976 CG PHE A 49 2.600 -2.329 2.839 1.00 0.00 C ATOM 977 CD1 PHE A 49 1.479 -1.503 2.705 1.00 0.00 C ATOM 978 CD2 PHE A 49 2.927 -2.871 4.085 1.00 0.00 C ATOM 979 CE1 PHE A 49 0.684 -1.222 3.821 1.00 0.00 C ATOM 980 CE2 PHE A 49 2.134 -2.589 5.201 1.00 0.00 C ATOM 981 CZ PHE A 49 1.013 -1.763 5.070 1.00 0.00 C ATOM 0 H PHE A 49 4.946 -1.851 -0.649 1.00 0.00 H new ATOM 0 HA PHE A 49 4.254 -0.644 2.013 1.00 0.00 H new ATOM 0 HB2 PHE A 49 2.826 -2.775 0.759 1.00 0.00 H new ATOM 0 HB3 PHE A 49 3.980 -3.588 1.797 1.00 0.00 H new ATOM 0 HD1 PHE A 49 1.228 -1.083 1.742 1.00 0.00 H new ATOM 0 HD2 PHE A 49 3.793 -3.508 4.186 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -0.184 -0.587 3.719 1.00 0.00 H new ATOM 0 HE2 PHE A 49 2.387 -3.009 6.164 1.00 0.00 H new ATOM 0 HZ PHE A 49 0.401 -1.542 5.932 1.00 0.00 H new ATOM 991 N ARG A 50 6.653 -1.159 2.409 1.00 0.00 N ATOM 992 CA ARG A 50 8.040 -1.581 2.763 1.00 0.00 C ATOM 993 C ARG A 50 8.061 -2.188 4.169 1.00 0.00 C ATOM 994 O ARG A 50 7.849 -1.505 5.157 1.00 0.00 O ATOM 995 CB ARG A 50 8.867 -0.295 2.710 1.00 0.00 C ATOM 996 CG ARG A 50 10.338 -0.608 2.991 1.00 0.00 C ATOM 997 CD ARG A 50 11.187 0.604 2.609 1.00 0.00 C ATOM 998 NE ARG A 50 12.570 0.069 2.448 1.00 0.00 N ATOM 999 CZ ARG A 50 13.423 0.152 3.426 1.00 0.00 C ATOM 1000 NH1 ARG A 50 13.285 -0.593 4.478 1.00 0.00 N ATOM 1001 NH2 ARG A 50 14.398 0.999 3.359 1.00 0.00 N ATOM 0 H ARG A 50 6.388 -0.222 2.714 1.00 0.00 H new ATOM 0 HA ARG A 50 8.432 -2.341 2.087 1.00 0.00 H new ATOM 0 HB2 ARG A 50 8.767 0.172 1.730 1.00 0.00 H new ATOM 0 HB3 ARG A 50 8.492 0.419 3.443 1.00 0.00 H new ATOM 0 HG2 ARG A 50 10.477 -0.848 4.045 1.00 0.00 H new ATOM 0 HG3 ARG A 50 10.652 -1.482 2.421 1.00 0.00 H new ATOM 0 HD2 ARG A 50 10.830 1.061 1.686 1.00 0.00 H new ATOM 0 HD3 ARG A 50 11.148 1.373 3.381 1.00 0.00 H new ATOM 0 HE ARG A 50 12.848 -0.364 1.567 1.00 0.00 H new ATOM 0 HH11 ARG A 50 12.505 -1.247 4.541 1.00 0.00 H new ATOM 0 HH12 ARG A 50 13.956 -0.525 5.243 1.00 0.00 H new ATOM 0 HH21 ARG A 50 14.496 1.600 2.541 1.00 0.00 H new ATOM 0 HH22 ARG A 50 15.069 1.066 4.125 1.00 0.00 H new ATOM 1015 N ALA A 51 8.330 -3.465 4.263 1.00 0.00 N ATOM 1016 CA ALA A 51 8.382 -4.129 5.598 1.00 0.00 C ATOM 1017 C ALA A 51 9.821 -4.542 5.923 1.00 0.00 C ATOM 1018 O ALA A 51 10.680 -4.589 5.060 1.00 0.00 O ATOM 1019 CB ALA A 51 7.480 -5.359 5.479 1.00 0.00 C ATOM 0 H ALA A 51 8.516 -4.078 3.469 1.00 0.00 H new ATOM 0 HA ALA A 51 8.051 -3.467 6.398 1.00 0.00 H new ATOM 0 HB1 ALA A 51 7.471 -5.897 6.427 1.00 0.00 H new ATOM 0 HB2 ALA A 51 6.466 -5.044 5.231 1.00 0.00 H new ATOM 0 HB3 ALA A 51 7.859 -6.014 4.694 1.00 0.00 H new ATOM 1025 N GLU A 52 10.087 -4.826 7.163 1.00 0.00 N ATOM 1026 CA GLU A 52 11.473 -5.218 7.561 1.00 0.00 C ATOM 1027 C GLU A 52 11.754 -6.709 7.303 1.00 0.00 C ATOM 1028 O GLU A 52 11.210 -7.580 7.953 1.00 0.00 O ATOM 1029 CB GLU A 52 11.588 -4.886 9.059 1.00 0.00 C ATOM 1030 CG GLU A 52 10.403 -5.466 9.864 1.00 0.00 C ATOM 1031 CD GLU A 52 10.555 -5.111 11.341 1.00 0.00 C ATOM 1032 OE1 GLU A 52 11.110 -4.055 11.631 1.00 0.00 O ATOM 1033 OE2 GLU A 52 10.114 -5.893 12.164 1.00 0.00 O ATOM 0 H GLU A 52 9.407 -4.805 7.923 1.00 0.00 H new ATOM 0 HA GLU A 52 12.210 -4.678 6.967 1.00 0.00 H new ATOM 0 HB2 GLU A 52 12.524 -5.285 9.450 1.00 0.00 H new ATOM 0 HB3 GLU A 52 11.623 -3.805 9.191 1.00 0.00 H new ATOM 0 HG2 GLU A 52 9.463 -5.069 9.481 1.00 0.00 H new ATOM 0 HG3 GLU A 52 10.365 -6.549 9.743 1.00 0.00 H new ATOM 1040 N GLY A 53 12.636 -6.999 6.372 1.00 0.00 N ATOM 1041 CA GLY A 53 13.005 -8.427 6.084 1.00 0.00 C ATOM 1042 C GLY A 53 12.076 -9.085 5.047 1.00 0.00 C ATOM 1043 O GLY A 53 12.305 -10.214 4.656 1.00 0.00 O ATOM 0 H GLY A 53 13.118 -6.307 5.798 1.00 0.00 H new ATOM 0 HA2 GLY A 53 14.032 -8.466 5.722 1.00 0.00 H new ATOM 0 HA3 GLY A 53 12.972 -9.000 7.011 1.00 0.00 H new ATOM 1047 N LYS A 54 11.033 -8.421 4.601 1.00 0.00 N ATOM 1048 CA LYS A 54 10.120 -9.069 3.602 1.00 0.00 C ATOM 1049 C LYS A 54 9.242 -8.023 2.894 1.00 0.00 C ATOM 1050 O LYS A 54 8.404 -7.390 3.510 1.00 0.00 O ATOM 1051 CB LYS A 54 9.262 -10.024 4.440 1.00 0.00 C ATOM 1052 CG LYS A 54 8.191 -10.678 3.562 1.00 0.00 C ATOM 1053 CD LYS A 54 6.861 -10.712 4.323 1.00 0.00 C ATOM 1054 CE LYS A 54 5.975 -9.541 3.880 1.00 0.00 C ATOM 1055 NZ LYS A 54 6.463 -8.355 4.649 1.00 0.00 N ATOM 0 H LYS A 54 10.777 -7.474 4.880 1.00 0.00 H new ATOM 0 HA LYS A 54 10.668 -9.582 2.812 1.00 0.00 H new ATOM 0 HB2 LYS A 54 9.892 -10.791 4.890 1.00 0.00 H new ATOM 0 HB3 LYS A 54 8.790 -9.479 5.257 1.00 0.00 H new ATOM 0 HG2 LYS A 54 8.077 -10.120 2.632 1.00 0.00 H new ATOM 0 HG3 LYS A 54 8.494 -11.690 3.292 1.00 0.00 H new ATOM 0 HD2 LYS A 54 6.350 -11.657 4.137 1.00 0.00 H new ATOM 0 HD3 LYS A 54 7.045 -10.655 5.396 1.00 0.00 H new ATOM 0 HE2 LYS A 54 6.056 -9.372 2.806 1.00 0.00 H new ATOM 0 HE3 LYS A 54 4.925 -9.741 4.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 5.751 -7.598 4.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 6.624 -8.626 5.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 7.354 -8.015 4.234 1.00 0.00 H new ATOM 1069 N ILE A 55 9.416 -7.851 1.605 1.00 0.00 N ATOM 1070 CA ILE A 55 8.588 -6.851 0.848 1.00 0.00 C ATOM 1071 C ILE A 55 7.883 -7.514 -0.350 1.00 0.00 C ATOM 1072 O ILE A 55 8.492 -8.256 -1.100 1.00 0.00 O ATOM 1073 CB ILE A 55 9.593 -5.799 0.375 1.00 0.00 C ATOM 1074 CG1 ILE A 55 9.653 -4.685 1.413 1.00 0.00 C ATOM 1075 CG2 ILE A 55 9.160 -5.205 -0.972 1.00 0.00 C ATOM 1076 CD1 ILE A 55 10.842 -3.785 1.112 1.00 0.00 C ATOM 0 H ILE A 55 10.097 -8.360 1.041 1.00 0.00 H new ATOM 0 HA ILE A 55 7.797 -6.421 1.463 1.00 0.00 H new ATOM 0 HB ILE A 55 10.570 -6.266 0.253 1.00 0.00 H new ATOM 0 HG12 ILE A 55 8.730 -4.106 1.396 1.00 0.00 H new ATOM 0 HG13 ILE A 55 9.746 -5.108 2.413 1.00 0.00 H new ATOM 0 HG21 ILE A 55 9.888 -4.459 -1.291 1.00 0.00 H new ATOM 0 HG22 ILE A 55 9.102 -5.998 -1.718 1.00 0.00 H new ATOM 0 HG23 ILE A 55 8.182 -4.736 -0.865 1.00 0.00 H new ATOM 0 HD11 ILE A 55 10.890 -2.986 1.852 1.00 0.00 H new ATOM 0 HD12 ILE A 55 11.761 -4.371 1.150 1.00 0.00 H new ATOM 0 HD13 ILE A 55 10.729 -3.353 0.118 1.00 0.00 H new ATOM 1088 N LYS A 56 6.613 -7.249 -0.543 1.00 0.00 N ATOM 1089 CA LYS A 56 5.889 -7.862 -1.706 1.00 0.00 C ATOM 1090 C LYS A 56 4.682 -7.003 -2.130 1.00 0.00 C ATOM 1091 O LYS A 56 3.875 -6.595 -1.321 1.00 0.00 O ATOM 1092 CB LYS A 56 5.439 -9.254 -1.229 1.00 0.00 C ATOM 1093 CG LYS A 56 4.619 -9.142 0.062 1.00 0.00 C ATOM 1094 CD LYS A 56 3.278 -9.856 -0.125 1.00 0.00 C ATOM 1095 CE LYS A 56 2.345 -8.972 -0.955 1.00 0.00 C ATOM 1096 NZ LYS A 56 1.225 -9.867 -1.359 1.00 0.00 N ATOM 0 H LYS A 56 6.048 -6.640 0.049 1.00 0.00 H new ATOM 0 HA LYS A 56 6.532 -7.928 -2.584 1.00 0.00 H new ATOM 0 HB2 LYS A 56 4.843 -9.735 -2.004 1.00 0.00 H new ATOM 0 HB3 LYS A 56 6.311 -9.886 -1.059 1.00 0.00 H new ATOM 0 HG2 LYS A 56 5.167 -9.585 0.894 1.00 0.00 H new ATOM 0 HG3 LYS A 56 4.454 -8.094 0.311 1.00 0.00 H new ATOM 0 HD2 LYS A 56 3.429 -10.813 -0.624 1.00 0.00 H new ATOM 0 HD3 LYS A 56 2.828 -10.069 0.845 1.00 0.00 H new ATOM 0 HE2 LYS A 56 1.983 -8.125 -0.373 1.00 0.00 H new ATOM 0 HE3 LYS A 56 2.858 -8.564 -1.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 0.605 -9.367 -2.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 1.609 -10.720 -1.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 0.678 -10.140 -0.518 1.00 0.00 H new ATOM 1110 N HIS A 57 4.557 -6.741 -3.407 1.00 0.00 N ATOM 1111 CA HIS A 57 3.409 -5.924 -3.927 1.00 0.00 C ATOM 1112 C HIS A 57 3.022 -6.425 -5.329 1.00 0.00 C ATOM 1113 O HIS A 57 3.739 -7.204 -5.928 1.00 0.00 O ATOM 1114 CB HIS A 57 3.911 -4.470 -3.964 1.00 0.00 C ATOM 1115 CG HIS A 57 5.273 -4.397 -4.612 1.00 0.00 C ATOM 1116 ND1 HIS A 57 6.440 -4.669 -3.917 1.00 0.00 N ATOM 1117 CD2 HIS A 57 5.665 -4.092 -5.889 1.00 0.00 C ATOM 1118 CE1 HIS A 57 7.468 -4.523 -4.774 1.00 0.00 C ATOM 1119 NE2 HIS A 57 7.050 -4.171 -5.990 1.00 0.00 N ATOM 0 H HIS A 57 5.209 -7.061 -4.123 1.00 0.00 H new ATOM 0 HA HIS A 57 2.519 -6.004 -3.302 1.00 0.00 H new ATOM 0 HB2 HIS A 57 3.205 -3.849 -4.516 1.00 0.00 H new ATOM 0 HB3 HIS A 57 3.962 -4.071 -2.951 1.00 0.00 H new ATOM 0 HD2 HIS A 57 4.998 -3.829 -6.697 1.00 0.00 H new ATOM 0 HE1 HIS A 57 8.504 -4.673 -4.509 1.00 0.00 H new ATOM 0 HE2 HIS A 57 7.622 -3.997 -6.816 1.00 0.00 H new ATOM 1127 N CYS A 58 1.888 -6.015 -5.842 1.00 0.00 N ATOM 1128 CA CYS A 58 1.454 -6.508 -7.192 1.00 0.00 C ATOM 1129 C CYS A 58 0.246 -5.711 -7.722 1.00 0.00 C ATOM 1130 O CYS A 58 -0.065 -4.640 -7.241 1.00 0.00 O ATOM 1131 CB CYS A 58 1.093 -7.982 -6.983 1.00 0.00 C ATOM 1132 SG CYS A 58 2.337 -9.037 -7.768 1.00 0.00 S ATOM 0 H CYS A 58 1.246 -5.364 -5.390 1.00 0.00 H new ATOM 0 HA CYS A 58 2.240 -6.382 -7.937 1.00 0.00 H new ATOM 0 HB2 CYS A 58 1.035 -8.204 -5.917 1.00 0.00 H new ATOM 0 HB3 CYS A 58 0.110 -8.188 -7.405 1.00 0.00 H new ATOM 0 HG CYS A 58 3.507 -8.777 -7.264 1.00 0.00 H new ATOM 1138 N ARG A 59 -0.398 -6.216 -8.747 1.00 0.00 N ATOM 1139 CA ARG A 59 -1.562 -5.497 -9.371 1.00 0.00 C ATOM 1140 C ARG A 59 -2.927 -5.907 -8.777 1.00 0.00 C ATOM 1141 O ARG A 59 -3.225 -7.066 -8.599 1.00 0.00 O ATOM 1142 CB ARG A 59 -1.489 -5.920 -10.838 1.00 0.00 C ATOM 1143 CG ARG A 59 -2.807 -5.623 -11.556 1.00 0.00 C ATOM 1144 CD ARG A 59 -3.190 -6.828 -12.421 1.00 0.00 C ATOM 1145 NE ARG A 59 -4.480 -7.305 -11.855 1.00 0.00 N ATOM 1146 CZ ARG A 59 -5.560 -7.268 -12.568 1.00 0.00 C ATOM 1147 NH1 ARG A 59 -5.926 -6.166 -13.139 1.00 0.00 N ATOM 1148 NH2 ARG A 59 -6.244 -8.347 -12.743 1.00 0.00 N ATOM 0 H ARG A 59 -0.166 -7.107 -9.186 1.00 0.00 H new ATOM 0 HA ARG A 59 -1.496 -4.422 -9.202 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -0.673 -5.393 -11.333 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -1.266 -6.985 -10.903 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -3.593 -5.417 -10.829 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -2.705 -4.732 -12.176 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -3.298 -6.545 -13.468 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -2.427 -7.605 -12.377 1.00 0.00 H new ATOM 0 HE ARG A 59 -4.514 -7.663 -10.900 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -5.363 -5.323 -13.028 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -6.777 -6.141 -13.700 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -5.933 -9.222 -12.321 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -7.096 -8.326 -13.303 1.00 0.00 H new ATOM 1162 N VAL A 60 -3.770 -4.940 -8.531 1.00 0.00 N ATOM 1163 CA VAL A 60 -5.151 -5.208 -8.003 1.00 0.00 C ATOM 1164 C VAL A 60 -6.189 -4.669 -9.005 1.00 0.00 C ATOM 1165 O VAL A 60 -5.882 -3.820 -9.822 1.00 0.00 O ATOM 1166 CB VAL A 60 -5.241 -4.455 -6.659 1.00 0.00 C ATOM 1167 CG1 VAL A 60 -4.652 -3.053 -6.787 1.00 0.00 C ATOM 1168 CG2 VAL A 60 -6.703 -4.321 -6.226 1.00 0.00 C ATOM 0 H VAL A 60 -3.560 -3.952 -8.675 1.00 0.00 H new ATOM 0 HA VAL A 60 -5.346 -6.272 -7.866 1.00 0.00 H new ATOM 0 HB VAL A 60 -4.679 -5.025 -5.920 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.725 -2.539 -5.829 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.605 -3.124 -7.082 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -5.205 -2.494 -7.542 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -6.754 -3.788 -5.277 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -7.257 -3.767 -6.983 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -7.140 -5.313 -6.109 1.00 0.00 H new ATOM 1178 N GLN A 61 -7.411 -5.138 -8.945 1.00 0.00 N ATOM 1179 CA GLN A 61 -8.454 -4.629 -9.892 1.00 0.00 C ATOM 1180 C GLN A 61 -9.277 -3.542 -9.195 1.00 0.00 C ATOM 1181 O GLN A 61 -10.030 -3.819 -8.286 1.00 0.00 O ATOM 1182 CB GLN A 61 -9.337 -5.843 -10.209 1.00 0.00 C ATOM 1183 CG GLN A 61 -8.670 -6.720 -11.277 1.00 0.00 C ATOM 1184 CD GLN A 61 -9.167 -6.327 -12.674 1.00 0.00 C ATOM 1185 OE1 GLN A 61 -8.381 -6.185 -13.590 1.00 0.00 O ATOM 1186 NE2 GLN A 61 -10.441 -6.152 -12.884 1.00 0.00 N ATOM 0 H GLN A 61 -7.731 -5.847 -8.286 1.00 0.00 H new ATOM 0 HA GLN A 61 -8.026 -4.197 -10.796 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -9.506 -6.425 -9.303 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -10.314 -5.510 -10.560 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -7.587 -6.609 -11.224 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -8.892 -7.770 -11.086 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -11.105 -6.270 -12.119 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -10.774 -5.897 -13.814 1.00 0.00 H new ATOM 1195 N GLN A 62 -9.141 -2.305 -9.597 1.00 0.00 N ATOM 1196 CA GLN A 62 -9.923 -1.227 -8.917 1.00 0.00 C ATOM 1197 C GLN A 62 -11.181 -0.855 -9.713 1.00 0.00 C ATOM 1198 O GLN A 62 -11.180 -0.821 -10.930 1.00 0.00 O ATOM 1199 CB GLN A 62 -8.954 -0.039 -8.785 1.00 0.00 C ATOM 1200 CG GLN A 62 -9.199 0.991 -9.899 1.00 0.00 C ATOM 1201 CD GLN A 62 -8.364 2.244 -9.638 1.00 0.00 C ATOM 1202 OE1 GLN A 62 -7.699 2.740 -10.524 1.00 0.00 O ATOM 1203 NE2 GLN A 62 -8.373 2.783 -8.455 1.00 0.00 N ATOM 0 H GLN A 62 -8.532 -1.996 -10.355 1.00 0.00 H new ATOM 0 HA GLN A 62 -10.289 -1.549 -7.942 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -9.082 0.434 -7.811 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -7.925 -0.396 -8.833 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -8.937 0.563 -10.867 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -10.257 1.250 -9.941 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -8.931 2.367 -7.709 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -7.822 3.622 -8.272 1.00 0.00 H new ATOM 1212 N GLU A 63 -12.252 -0.571 -9.017 1.00 0.00 N ATOM 1213 CA GLU A 63 -13.527 -0.186 -9.698 1.00 0.00 C ATOM 1214 C GLU A 63 -14.184 0.966 -8.927 1.00 0.00 C ATOM 1215 O GLU A 63 -14.075 1.042 -7.714 1.00 0.00 O ATOM 1216 CB GLU A 63 -14.390 -1.463 -9.649 1.00 0.00 C ATOM 1217 CG GLU A 63 -15.876 -1.118 -9.435 1.00 0.00 C ATOM 1218 CD GLU A 63 -16.534 -0.782 -10.778 1.00 0.00 C ATOM 1219 OE1 GLU A 63 -16.155 0.216 -11.374 1.00 0.00 O ATOM 1220 OE2 GLU A 63 -17.408 -1.524 -11.184 1.00 0.00 O ATOM 0 H GLU A 63 -12.299 -0.589 -7.998 1.00 0.00 H new ATOM 0 HA GLU A 63 -13.387 0.160 -10.722 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -14.273 -2.021 -10.578 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -14.043 -2.110 -8.843 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -16.390 -1.959 -8.969 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -15.967 -0.272 -8.754 1.00 0.00 H new ATOM 1227 N GLY A 64 -14.888 1.848 -9.601 1.00 0.00 N ATOM 1228 CA GLY A 64 -15.563 2.957 -8.861 1.00 0.00 C ATOM 1229 C GLY A 64 -16.759 2.348 -8.136 1.00 0.00 C ATOM 1230 O GLY A 64 -17.872 2.374 -8.625 1.00 0.00 O ATOM 0 H GLY A 64 -15.021 1.847 -10.612 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -14.877 3.420 -8.152 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -15.886 3.738 -9.549 1.00 0.00 H new ATOM 1234 N GLN A 65 -16.500 1.792 -6.974 1.00 0.00 N ATOM 1235 CA GLN A 65 -17.551 1.122 -6.137 1.00 0.00 C ATOM 1236 C GLN A 65 -16.856 0.146 -5.183 1.00 0.00 C ATOM 1237 O GLN A 65 -17.160 0.087 -4.006 1.00 0.00 O ATOM 1238 CB GLN A 65 -18.452 0.330 -7.097 1.00 0.00 C ATOM 1239 CG GLN A 65 -19.842 0.976 -7.150 1.00 0.00 C ATOM 1240 CD GLN A 65 -20.498 0.672 -8.498 1.00 0.00 C ATOM 1241 OE1 GLN A 65 -21.569 0.108 -8.550 1.00 0.00 O ATOM 1242 NE2 GLN A 65 -19.902 1.028 -9.597 1.00 0.00 N ATOM 0 H GLN A 65 -15.569 1.775 -6.557 1.00 0.00 H new ATOM 0 HA GLN A 65 -18.132 1.845 -5.564 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -18.011 0.311 -8.093 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -18.533 -0.705 -6.765 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -20.462 0.596 -6.338 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -19.759 2.054 -7.009 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -19.000 1.503 -9.557 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -20.336 0.832 -10.499 1.00 0.00 H new ATOM 1251 N THR A 66 -15.919 -0.632 -5.691 1.00 0.00 N ATOM 1252 CA THR A 66 -15.193 -1.616 -4.824 1.00 0.00 C ATOM 1253 C THR A 66 -13.966 -2.204 -5.551 1.00 0.00 C ATOM 1254 O THR A 66 -14.097 -2.982 -6.477 1.00 0.00 O ATOM 1255 CB THR A 66 -16.224 -2.722 -4.528 1.00 0.00 C ATOM 1256 OG1 THR A 66 -17.062 -2.326 -3.445 1.00 0.00 O ATOM 1257 CG2 THR A 66 -15.511 -4.020 -4.140 1.00 0.00 C ATOM 0 H THR A 66 -15.629 -0.625 -6.669 1.00 0.00 H new ATOM 0 HA THR A 66 -14.814 -1.147 -3.916 1.00 0.00 H new ATOM 0 HB THR A 66 -16.822 -2.883 -5.425 1.00 0.00 H new ATOM 0 HG1 THR A 66 -16.843 -1.408 -3.181 1.00 0.00 H new ATOM 0 HG21 THR A 66 -16.251 -4.794 -3.933 1.00 0.00 H new ATOM 0 HG22 THR A 66 -14.869 -4.342 -4.960 1.00 0.00 H new ATOM 0 HG23 THR A 66 -14.905 -3.850 -3.250 1.00 0.00 H new ATOM 1265 N VAL A 67 -12.777 -1.855 -5.116 1.00 0.00 N ATOM 1266 CA VAL A 67 -11.531 -2.414 -5.745 1.00 0.00 C ATOM 1267 C VAL A 67 -11.353 -3.879 -5.312 1.00 0.00 C ATOM 1268 O VAL A 67 -11.766 -4.274 -4.238 1.00 0.00 O ATOM 1269 CB VAL A 67 -10.370 -1.563 -5.195 1.00 0.00 C ATOM 1270 CG1 VAL A 67 -9.025 -2.113 -5.688 1.00 0.00 C ATOM 1271 CG2 VAL A 67 -10.516 -0.106 -5.648 1.00 0.00 C ATOM 0 H VAL A 67 -12.613 -1.204 -4.348 1.00 0.00 H new ATOM 0 HA VAL A 67 -11.573 -2.385 -6.834 1.00 0.00 H new ATOM 0 HB VAL A 67 -10.401 -1.608 -4.106 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -8.214 -1.502 -5.291 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -8.905 -3.141 -5.346 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -8.999 -2.088 -6.777 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -9.689 0.483 -5.252 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -10.505 -0.061 -6.737 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -11.458 0.297 -5.278 1.00 0.00 H new ATOM 1281 N MET A 68 -10.744 -4.688 -6.130 1.00 0.00 N ATOM 1282 CA MET A 68 -10.551 -6.117 -5.754 1.00 0.00 C ATOM 1283 C MET A 68 -9.136 -6.596 -6.089 1.00 0.00 C ATOM 1284 O MET A 68 -8.712 -6.576 -7.232 1.00 0.00 O ATOM 1285 CB MET A 68 -11.580 -6.882 -6.593 1.00 0.00 C ATOM 1286 CG MET A 68 -11.349 -8.393 -6.466 1.00 0.00 C ATOM 1287 SD MET A 68 -10.900 -9.069 -8.085 1.00 0.00 S ATOM 1288 CE MET A 68 -11.365 -10.784 -7.751 1.00 0.00 C ATOM 0 H MET A 68 -10.371 -4.424 -7.042 1.00 0.00 H new ATOM 0 HA MET A 68 -10.681 -6.271 -4.683 1.00 0.00 H new ATOM 0 HB2 MET A 68 -12.588 -6.632 -6.262 1.00 0.00 H new ATOM 0 HB3 MET A 68 -11.504 -6.582 -7.638 1.00 0.00 H new ATOM 0 HG2 MET A 68 -10.557 -8.592 -5.744 1.00 0.00 H new ATOM 0 HG3 MET A 68 -12.250 -8.880 -6.093 1.00 0.00 H new ATOM 0 HE1 MET A 68 -11.168 -11.393 -8.634 1.00 0.00 H new ATOM 0 HE2 MET A 68 -10.781 -11.162 -6.912 1.00 0.00 H new ATOM 0 HE3 MET A 68 -12.426 -10.832 -7.506 1.00 0.00 H new ATOM 1298 N LEU A 69 -8.419 -7.068 -5.107 1.00 0.00 N ATOM 1299 CA LEU A 69 -7.054 -7.608 -5.380 1.00 0.00 C ATOM 1300 C LEU A 69 -7.231 -9.050 -5.871 1.00 0.00 C ATOM 1301 O LEU A 69 -8.348 -9.513 -6.033 1.00 0.00 O ATOM 1302 CB LEU A 69 -6.318 -7.574 -4.031 1.00 0.00 C ATOM 1303 CG LEU A 69 -5.845 -6.149 -3.730 1.00 0.00 C ATOM 1304 CD1 LEU A 69 -7.033 -5.285 -3.308 1.00 0.00 C ATOM 1305 CD2 LEU A 69 -4.818 -6.175 -2.599 1.00 0.00 C ATOM 0 H LEU A 69 -8.716 -7.104 -4.132 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.497 -7.045 -6.129 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.979 -7.922 -3.237 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.465 -8.252 -4.055 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.391 -5.730 -4.628 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -6.689 -4.273 -3.095 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.767 -5.257 -4.113 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.491 -5.708 -2.414 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -4.484 -5.159 -2.388 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.273 -6.601 -1.705 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.964 -6.783 -2.897 1.00 0.00 H new ATOM 1317 N GLY A 70 -6.179 -9.784 -6.091 1.00 0.00 N ATOM 1318 CA GLY A 70 -6.386 -11.187 -6.551 1.00 0.00 C ATOM 1319 C GLY A 70 -6.543 -12.042 -5.305 1.00 0.00 C ATOM 1320 O GLY A 70 -5.603 -12.636 -4.808 1.00 0.00 O ATOM 0 H GLY A 70 -5.210 -9.487 -5.977 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -7.271 -11.259 -7.183 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -5.540 -11.526 -7.148 1.00 0.00 H new ATOM 1324 N ASN A 71 -7.753 -12.077 -4.805 1.00 0.00 N ATOM 1325 CA ASN A 71 -8.089 -12.849 -3.567 1.00 0.00 C ATOM 1326 C ASN A 71 -9.507 -12.470 -3.097 1.00 0.00 C ATOM 1327 O ASN A 71 -10.268 -13.316 -2.670 1.00 0.00 O ATOM 1328 CB ASN A 71 -7.040 -12.453 -2.502 1.00 0.00 C ATOM 1329 CG ASN A 71 -6.865 -10.929 -2.431 1.00 0.00 C ATOM 1330 OD1 ASN A 71 -5.969 -10.377 -3.034 1.00 0.00 O ATOM 1331 ND2 ASN A 71 -7.684 -10.218 -1.713 1.00 0.00 N ATOM 0 H ASN A 71 -8.547 -11.587 -5.217 1.00 0.00 H new ATOM 0 HA ASN A 71 -8.071 -13.925 -3.743 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -7.347 -12.832 -1.527 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -6.084 -12.920 -2.739 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -7.569 -9.206 -1.661 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -8.441 -10.673 -1.202 1.00 0.00 H new ATOM 1338 N SER A 72 -9.866 -11.202 -3.178 1.00 0.00 N ATOM 1339 CA SER A 72 -11.235 -10.766 -2.737 1.00 0.00 C ATOM 1340 C SER A 72 -11.498 -9.287 -3.081 1.00 0.00 C ATOM 1341 O SER A 72 -10.603 -8.550 -3.467 1.00 0.00 O ATOM 1342 CB SER A 72 -11.273 -10.968 -1.216 1.00 0.00 C ATOM 1343 OG SER A 72 -9.987 -10.703 -0.653 1.00 0.00 O ATOM 0 H SER A 72 -9.269 -10.454 -3.530 1.00 0.00 H new ATOM 0 HA SER A 72 -12.005 -11.345 -3.247 1.00 0.00 H new ATOM 0 HB2 SER A 72 -12.016 -10.306 -0.772 1.00 0.00 H new ATOM 0 HB3 SER A 72 -11.577 -11.989 -0.984 1.00 0.00 H new ATOM 0 HG SER A 72 -10.035 -9.901 -0.091 1.00 0.00 H new ATOM 1349 N GLU A 73 -12.731 -8.859 -2.938 1.00 0.00 N ATOM 1350 CA GLU A 73 -13.099 -7.440 -3.251 1.00 0.00 C ATOM 1351 C GLU A 73 -13.005 -6.561 -1.998 1.00 0.00 C ATOM 1352 O GLU A 73 -13.285 -6.997 -0.897 1.00 0.00 O ATOM 1353 CB GLU A 73 -14.550 -7.501 -3.740 1.00 0.00 C ATOM 1354 CG GLU A 73 -14.594 -8.017 -5.183 1.00 0.00 C ATOM 1355 CD GLU A 73 -14.791 -9.535 -5.187 1.00 0.00 C ATOM 1356 OE1 GLU A 73 -15.930 -9.964 -5.113 1.00 0.00 O ATOM 1357 OE2 GLU A 73 -13.798 -10.242 -5.266 1.00 0.00 O ATOM 0 H GLU A 73 -13.506 -9.438 -2.615 1.00 0.00 H new ATOM 0 HA GLU A 73 -12.428 -7.007 -3.992 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -15.134 -8.156 -3.093 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -15.003 -6.511 -3.685 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -15.406 -7.535 -5.726 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -13.669 -7.760 -5.699 1.00 0.00 H new ATOM 1364 N PHE A 74 -12.611 -5.327 -2.167 1.00 0.00 N ATOM 1365 CA PHE A 74 -12.483 -4.397 -1.006 1.00 0.00 C ATOM 1366 C PHE A 74 -13.135 -3.051 -1.326 1.00 0.00 C ATOM 1367 O PHE A 74 -13.116 -2.599 -2.460 1.00 0.00 O ATOM 1368 CB PHE A 74 -10.975 -4.204 -0.841 1.00 0.00 C ATOM 1369 CG PHE A 74 -10.389 -5.384 -0.116 1.00 0.00 C ATOM 1370 CD1 PHE A 74 -10.070 -6.547 -0.820 1.00 0.00 C ATOM 1371 CD2 PHE A 74 -10.169 -5.311 1.258 1.00 0.00 C ATOM 1372 CE1 PHE A 74 -9.529 -7.645 -0.145 1.00 0.00 C ATOM 1373 CE2 PHE A 74 -9.630 -6.408 1.939 1.00 0.00 C ATOM 1374 CZ PHE A 74 -9.306 -7.576 1.236 1.00 0.00 C ATOM 0 H PHE A 74 -12.370 -4.919 -3.070 1.00 0.00 H new ATOM 0 HA PHE A 74 -12.966 -4.788 -0.110 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -10.504 -4.094 -1.818 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -10.775 -3.288 -0.286 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -10.241 -6.598 -1.885 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -10.414 -4.408 1.797 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -9.283 -8.546 -0.688 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -9.464 -6.355 3.005 1.00 0.00 H new ATOM 0 HZ PHE A 74 -8.885 -8.422 1.758 1.00 0.00 H new ATOM 1384 N ASP A 75 -13.669 -2.373 -0.347 1.00 0.00 N ATOM 1385 CA ASP A 75 -14.262 -1.045 -0.652 1.00 0.00 C ATOM 1386 C ASP A 75 -13.101 -0.051 -0.721 1.00 0.00 C ATOM 1387 O ASP A 75 -12.577 0.387 0.286 1.00 0.00 O ATOM 1388 CB ASP A 75 -15.185 -0.732 0.535 1.00 0.00 C ATOM 1389 CG ASP A 75 -16.236 -1.832 0.694 1.00 0.00 C ATOM 1390 OD1 ASP A 75 -17.221 -1.791 -0.019 1.00 0.00 O ATOM 1391 OD2 ASP A 75 -16.039 -2.692 1.541 1.00 0.00 O ATOM 0 H ASP A 75 -13.720 -2.673 0.627 1.00 0.00 H new ATOM 0 HA ASP A 75 -14.820 -1.005 -1.587 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -14.597 -0.646 1.449 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -15.675 0.229 0.380 1.00 0.00 H new ATOM 1396 N SER A 76 -12.692 0.274 -1.925 1.00 0.00 N ATOM 1397 CA SER A 76 -11.529 1.197 -2.145 1.00 0.00 C ATOM 1398 C SER A 76 -10.254 0.546 -1.578 1.00 0.00 C ATOM 1399 O SER A 76 -10.286 -0.112 -0.556 1.00 0.00 O ATOM 1400 CB SER A 76 -11.862 2.497 -1.401 1.00 0.00 C ATOM 1401 OG SER A 76 -10.689 3.298 -1.307 1.00 0.00 O ATOM 0 H SER A 76 -13.124 -0.069 -2.783 1.00 0.00 H new ATOM 0 HA SER A 76 -11.356 1.398 -3.202 1.00 0.00 H new ATOM 0 HB2 SER A 76 -12.646 3.041 -1.928 1.00 0.00 H new ATOM 0 HB3 SER A 76 -12.244 2.272 -0.405 1.00 0.00 H new ATOM 0 HG SER A 76 -10.589 3.829 -2.125 1.00 0.00 H new ATOM 1407 N LEU A 77 -9.128 0.712 -2.225 1.00 0.00 N ATOM 1408 CA LEU A 77 -7.863 0.092 -1.691 1.00 0.00 C ATOM 1409 C LEU A 77 -7.684 0.460 -0.202 1.00 0.00 C ATOM 1410 O LEU A 77 -7.069 -0.267 0.568 1.00 0.00 O ATOM 1411 CB LEU A 77 -6.743 0.671 -2.552 1.00 0.00 C ATOM 1412 CG LEU A 77 -6.409 -0.318 -3.677 1.00 0.00 C ATOM 1413 CD1 LEU A 77 -6.468 0.400 -5.024 1.00 0.00 C ATOM 1414 CD2 LEU A 77 -5.001 -0.861 -3.459 1.00 0.00 C ATOM 0 H LEU A 77 -9.023 1.242 -3.090 1.00 0.00 H new ATOM 0 HA LEU A 77 -7.873 -0.997 -1.740 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -7.049 1.629 -2.973 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -5.859 0.859 -1.942 1.00 0.00 H new ATOM 0 HG LEU A 77 -7.129 -1.136 -3.671 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -6.231 -0.304 -5.822 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -7.470 0.800 -5.179 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -5.746 1.216 -5.033 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.755 -1.565 -4.254 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -4.287 -0.037 -3.470 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.952 -1.370 -2.496 1.00 0.00 H new ATOM 1426 N VAL A 78 -8.264 1.562 0.215 1.00 0.00 N ATOM 1427 CA VAL A 78 -8.190 1.973 1.645 1.00 0.00 C ATOM 1428 C VAL A 78 -8.771 0.879 2.551 1.00 0.00 C ATOM 1429 O VAL A 78 -8.488 0.834 3.722 1.00 0.00 O ATOM 1430 CB VAL A 78 -9.064 3.225 1.727 1.00 0.00 C ATOM 1431 CG1 VAL A 78 -10.546 2.824 1.775 1.00 0.00 C ATOM 1432 CG2 VAL A 78 -8.706 4.007 2.993 1.00 0.00 C ATOM 0 H VAL A 78 -8.790 2.197 -0.385 1.00 0.00 H new ATOM 0 HA VAL A 78 -7.164 2.147 1.969 1.00 0.00 H new ATOM 0 HB VAL A 78 -8.890 3.846 0.848 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -11.164 3.720 1.833 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -10.801 2.265 0.874 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -10.726 2.201 2.651 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -9.327 4.901 3.056 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -8.880 3.382 3.869 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -7.656 4.296 2.957 1.00 0.00 H new ATOM 1442 N ASP A 79 -9.597 0.017 2.018 1.00 0.00 N ATOM 1443 CA ASP A 79 -10.215 -1.059 2.844 1.00 0.00 C ATOM 1444 C ASP A 79 -9.134 -1.985 3.422 1.00 0.00 C ATOM 1445 O ASP A 79 -8.830 -1.928 4.602 1.00 0.00 O ATOM 1446 CB ASP A 79 -11.134 -1.804 1.877 1.00 0.00 C ATOM 1447 CG ASP A 79 -12.090 -2.727 2.645 1.00 0.00 C ATOM 1448 OD1 ASP A 79 -12.003 -2.790 3.863 1.00 0.00 O ATOM 1449 OD2 ASP A 79 -12.909 -3.356 2.001 1.00 0.00 O ATOM 0 H ASP A 79 -9.872 0.014 1.036 1.00 0.00 H new ATOM 0 HA ASP A 79 -10.762 -0.669 3.702 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -11.706 -1.089 1.286 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -10.537 -2.390 1.178 1.00 0.00 H new ATOM 1454 N LEU A 80 -8.535 -2.823 2.606 1.00 0.00 N ATOM 1455 CA LEU A 80 -7.461 -3.724 3.145 1.00 0.00 C ATOM 1456 C LEU A 80 -6.298 -2.880 3.663 1.00 0.00 C ATOM 1457 O LEU A 80 -5.700 -3.203 4.675 1.00 0.00 O ATOM 1458 CB LEU A 80 -6.987 -4.704 2.043 1.00 0.00 C ATOM 1459 CG LEU A 80 -7.096 -4.131 0.623 1.00 0.00 C ATOM 1460 CD1 LEU A 80 -5.951 -3.157 0.344 1.00 0.00 C ATOM 1461 CD2 LEU A 80 -7.021 -5.280 -0.377 1.00 0.00 C ATOM 0 H LEU A 80 -8.737 -2.922 1.611 1.00 0.00 H new ATOM 0 HA LEU A 80 -7.859 -4.312 3.972 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.950 -4.980 2.236 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -7.577 -5.618 2.103 1.00 0.00 H new ATOM 0 HG LEU A 80 -8.042 -3.598 0.528 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -6.047 -2.763 -0.668 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -5.990 -2.335 1.059 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -4.998 -3.678 0.441 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -7.097 -4.886 -1.390 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -6.071 -5.802 -0.261 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -7.841 -5.975 -0.195 1.00 0.00 H new ATOM 1473 N ILE A 81 -5.990 -1.775 3.016 1.00 0.00 N ATOM 1474 CA ILE A 81 -4.889 -0.919 3.541 1.00 0.00 C ATOM 1475 C ILE A 81 -5.266 -0.469 4.956 1.00 0.00 C ATOM 1476 O ILE A 81 -4.439 -0.439 5.850 1.00 0.00 O ATOM 1477 CB ILE A 81 -4.786 0.278 2.592 1.00 0.00 C ATOM 1478 CG1 ILE A 81 -4.165 -0.154 1.255 1.00 0.00 C ATOM 1479 CG2 ILE A 81 -3.904 1.349 3.227 1.00 0.00 C ATOM 1480 CD1 ILE A 81 -2.884 -0.955 1.503 1.00 0.00 C ATOM 0 H ILE A 81 -6.446 -1.440 2.167 1.00 0.00 H new ATOM 0 HA ILE A 81 -3.933 -1.441 3.592 1.00 0.00 H new ATOM 0 HB ILE A 81 -5.786 0.673 2.411 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -4.877 -0.758 0.693 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -3.942 0.724 0.648 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -3.828 2.203 2.554 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -4.343 1.669 4.172 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -2.910 0.941 3.409 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -2.453 -1.256 0.548 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -2.168 -0.338 2.046 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -3.118 -1.842 2.091 1.00 0.00 H new ATOM 1492 N SER A 82 -6.523 -0.145 5.168 1.00 0.00 N ATOM 1493 CA SER A 82 -6.970 0.271 6.526 1.00 0.00 C ATOM 1494 C SER A 82 -6.812 -0.907 7.479 1.00 0.00 C ATOM 1495 O SER A 82 -6.297 -0.755 8.562 1.00 0.00 O ATOM 1496 CB SER A 82 -8.437 0.657 6.409 1.00 0.00 C ATOM 1497 OG SER A 82 -8.536 1.926 5.775 1.00 0.00 O ATOM 0 H SER A 82 -7.253 -0.153 4.456 1.00 0.00 H new ATOM 0 HA SER A 82 -6.383 1.107 6.906 1.00 0.00 H new ATOM 0 HB2 SER A 82 -8.978 -0.094 5.834 1.00 0.00 H new ATOM 0 HB3 SER A 82 -8.896 0.694 7.397 1.00 0.00 H new ATOM 0 HG SER A 82 -8.242 1.850 4.843 1.00 0.00 H new ATOM 1503 N TYR A 83 -7.225 -2.090 7.070 1.00 0.00 N ATOM 1504 CA TYR A 83 -7.056 -3.286 7.955 1.00 0.00 C ATOM 1505 C TYR A 83 -5.589 -3.350 8.391 1.00 0.00 C ATOM 1506 O TYR A 83 -5.273 -3.491 9.561 1.00 0.00 O ATOM 1507 CB TYR A 83 -7.409 -4.500 7.083 1.00 0.00 C ATOM 1508 CG TYR A 83 -8.857 -4.885 7.277 1.00 0.00 C ATOM 1509 CD1 TYR A 83 -9.226 -5.699 8.356 1.00 0.00 C ATOM 1510 CD2 TYR A 83 -9.830 -4.438 6.374 1.00 0.00 C ATOM 1511 CE1 TYR A 83 -10.567 -6.066 8.529 1.00 0.00 C ATOM 1512 CE2 TYR A 83 -11.171 -4.804 6.549 1.00 0.00 C ATOM 1513 CZ TYR A 83 -11.537 -5.618 7.627 1.00 0.00 C ATOM 1514 OH TYR A 83 -12.857 -5.978 7.801 1.00 0.00 O ATOM 0 H TYR A 83 -7.667 -2.274 6.169 1.00 0.00 H new ATOM 0 HA TYR A 83 -7.683 -3.252 8.846 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -7.225 -4.268 6.034 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -6.765 -5.341 7.341 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -8.477 -6.043 9.054 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -9.546 -3.811 5.542 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -10.852 -6.695 9.359 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -11.921 -4.459 5.853 1.00 0.00 H new ATOM 0 HH TYR A 83 -13.401 -5.582 7.088 1.00 0.00 H new ATOM 1524 N TYR A 84 -4.689 -3.205 7.443 1.00 0.00 N ATOM 1525 CA TYR A 84 -3.238 -3.219 7.778 1.00 0.00 C ATOM 1526 C TYR A 84 -2.899 -2.013 8.659 1.00 0.00 C ATOM 1527 O TYR A 84 -2.347 -2.176 9.712 1.00 0.00 O ATOM 1528 CB TYR A 84 -2.488 -3.165 6.441 1.00 0.00 C ATOM 1529 CG TYR A 84 -1.239 -4.022 6.530 1.00 0.00 C ATOM 1530 CD1 TYR A 84 -0.220 -3.685 7.431 1.00 0.00 C ATOM 1531 CD2 TYR A 84 -1.099 -5.151 5.711 1.00 0.00 C ATOM 1532 CE1 TYR A 84 0.935 -4.475 7.515 1.00 0.00 C ATOM 1533 CE2 TYR A 84 0.057 -5.940 5.797 1.00 0.00 C ATOM 1534 CZ TYR A 84 1.073 -5.601 6.698 1.00 0.00 C ATOM 1535 OH TYR A 84 2.212 -6.377 6.782 1.00 0.00 O ATOM 0 H TYR A 84 -4.903 -3.078 6.454 1.00 0.00 H new ATOM 0 HA TYR A 84 -2.955 -4.111 8.337 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -3.131 -3.522 5.636 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -2.220 -2.136 6.203 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -0.325 -2.815 8.062 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -1.881 -5.413 5.014 1.00 0.00 H new ATOM 0 HE1 TYR A 84 1.718 -4.214 8.211 1.00 0.00 H new ATOM 0 HE2 TYR A 84 0.164 -6.811 5.167 1.00 0.00 H new ATOM 0 HH TYR A 84 2.148 -7.121 6.148 1.00 0.00 H new ATOM 1545 N GLU A 85 -3.241 -0.803 8.270 1.00 0.00 N ATOM 1546 CA GLU A 85 -2.921 0.363 9.166 1.00 0.00 C ATOM 1547 C GLU A 85 -3.516 0.140 10.561 1.00 0.00 C ATOM 1548 O GLU A 85 -2.919 0.468 11.570 1.00 0.00 O ATOM 1549 CB GLU A 85 -3.554 1.600 8.547 1.00 0.00 C ATOM 1550 CG GLU A 85 -3.166 2.787 9.436 1.00 0.00 C ATOM 1551 CD GLU A 85 -3.873 4.053 8.992 1.00 0.00 C ATOM 1552 OE1 GLU A 85 -3.794 4.388 7.822 1.00 0.00 O ATOM 1553 OE2 GLU A 85 -4.475 4.675 9.848 1.00 0.00 O ATOM 0 H GLU A 85 -3.715 -0.574 7.396 1.00 0.00 H new ATOM 0 HA GLU A 85 -1.841 0.477 9.264 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -3.198 1.748 7.528 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -4.638 1.495 8.494 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -3.422 2.568 10.473 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -2.087 2.937 9.398 1.00 0.00 H new ATOM 1560 N LYS A 86 -4.692 -0.418 10.611 1.00 0.00 N ATOM 1561 CA LYS A 86 -5.359 -0.686 11.914 1.00 0.00 C ATOM 1562 C LYS A 86 -4.632 -1.845 12.637 1.00 0.00 C ATOM 1563 O LYS A 86 -4.647 -1.936 13.854 1.00 0.00 O ATOM 1564 CB LYS A 86 -6.804 -1.053 11.533 1.00 0.00 C ATOM 1565 CG LYS A 86 -7.605 0.176 11.037 1.00 0.00 C ATOM 1566 CD LYS A 86 -7.154 1.477 11.720 1.00 0.00 C ATOM 1567 CE LYS A 86 -6.332 2.310 10.733 1.00 0.00 C ATOM 1568 NZ LYS A 86 -5.908 3.514 11.501 1.00 0.00 N ATOM 0 H LYS A 86 -5.227 -0.704 9.791 1.00 0.00 H new ATOM 0 HA LYS A 86 -5.337 0.160 12.601 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -6.791 -1.815 10.754 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -7.307 -1.489 12.396 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -7.486 0.274 9.958 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -8.666 0.017 11.227 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -8.022 2.044 12.057 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -6.559 1.249 12.605 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -5.470 1.752 10.368 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -6.925 2.587 9.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -5.427 4.181 10.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -6.744 3.973 11.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -5.257 3.230 12.260 1.00 0.00 H new ATOM 1582 N HIS A 87 -3.967 -2.709 11.899 1.00 0.00 N ATOM 1583 CA HIS A 87 -3.200 -3.833 12.535 1.00 0.00 C ATOM 1584 C HIS A 87 -1.959 -4.165 11.677 1.00 0.00 C ATOM 1585 O HIS A 87 -1.859 -5.234 11.098 1.00 0.00 O ATOM 1586 CB HIS A 87 -4.182 -5.008 12.601 1.00 0.00 C ATOM 1587 CG HIS A 87 -4.532 -5.271 14.040 1.00 0.00 C ATOM 1588 ND1 HIS A 87 -4.819 -4.246 14.928 1.00 0.00 N ATOM 1589 CD2 HIS A 87 -4.641 -6.433 14.760 1.00 0.00 C ATOM 1590 CE1 HIS A 87 -5.084 -4.808 16.123 1.00 0.00 C ATOM 1591 NE2 HIS A 87 -4.990 -6.139 16.075 1.00 0.00 N ATOM 0 H HIS A 87 -3.923 -2.683 10.880 1.00 0.00 H new ATOM 0 HA HIS A 87 -2.830 -3.585 13.530 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -5.082 -4.780 12.030 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -3.737 -5.897 12.153 1.00 0.00 H new ATOM 0 HD1 HIS A 87 -4.828 -3.248 14.715 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -4.480 -7.426 14.366 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -5.341 -4.250 17.011 1.00 0.00 H new ATOM 1599 N PRO A 88 -1.062 -3.202 11.608 1.00 0.00 N ATOM 1600 CA PRO A 88 0.172 -3.343 10.801 1.00 0.00 C ATOM 1601 C PRO A 88 1.328 -3.930 11.617 1.00 0.00 C ATOM 1602 O PRO A 88 1.916 -4.918 11.232 1.00 0.00 O ATOM 1603 CB PRO A 88 0.477 -1.902 10.400 1.00 0.00 C ATOM 1604 CG PRO A 88 -0.163 -1.042 11.452 1.00 0.00 C ATOM 1605 CD PRO A 88 -1.117 -1.893 12.258 1.00 0.00 C ATOM 0 HA PRO A 88 0.046 -4.022 9.958 1.00 0.00 H new ATOM 0 HB2 PRO A 88 1.552 -1.728 10.353 1.00 0.00 H new ATOM 0 HB3 PRO A 88 0.074 -1.677 9.412 1.00 0.00 H new ATOM 0 HG2 PRO A 88 0.598 -0.609 12.101 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -0.696 -0.212 10.989 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -0.812 -1.953 13.303 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -2.127 -1.483 12.244 1.00 0.00 H new ATOM 1613 N LEU A 89 1.674 -3.302 12.721 1.00 0.00 N ATOM 1614 CA LEU A 89 2.815 -3.787 13.563 1.00 0.00 C ATOM 1615 C LEU A 89 4.112 -3.718 12.741 1.00 0.00 C ATOM 1616 O LEU A 89 4.514 -2.650 12.321 1.00 0.00 O ATOM 1617 CB LEU A 89 2.466 -5.236 13.969 1.00 0.00 C ATOM 1618 CG LEU A 89 1.238 -5.273 14.903 1.00 0.00 C ATOM 1619 CD1 LEU A 89 1.149 -3.989 15.732 1.00 0.00 C ATOM 1620 CD2 LEU A 89 -0.035 -5.422 14.069 1.00 0.00 C ATOM 0 H LEU A 89 1.208 -2.467 13.076 1.00 0.00 H new ATOM 0 HA LEU A 89 2.968 -3.178 14.454 1.00 0.00 H new ATOM 0 HB2 LEU A 89 2.265 -5.828 13.076 1.00 0.00 H new ATOM 0 HB3 LEU A 89 3.320 -5.692 14.469 1.00 0.00 H new ATOM 0 HG LEU A 89 1.343 -6.122 15.579 1.00 0.00 H new ATOM 0 HD11 LEU A 89 0.276 -4.036 16.383 1.00 0.00 H new ATOM 0 HD12 LEU A 89 2.049 -3.884 16.338 1.00 0.00 H new ATOM 0 HD13 LEU A 89 1.058 -3.131 15.066 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -0.902 -5.448 14.729 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -0.124 -4.577 13.387 1.00 0.00 H new ATOM 0 HD23 LEU A 89 0.012 -6.348 13.495 1.00 0.00 H new ATOM 1632 N TYR A 90 4.757 -4.837 12.495 1.00 0.00 N ATOM 1633 CA TYR A 90 6.022 -4.852 11.676 1.00 0.00 C ATOM 1634 C TYR A 90 7.013 -3.734 12.065 1.00 0.00 C ATOM 1635 O TYR A 90 7.879 -3.392 11.282 1.00 0.00 O ATOM 1636 CB TYR A 90 5.529 -4.641 10.242 1.00 0.00 C ATOM 1637 CG TYR A 90 5.963 -5.791 9.368 1.00 0.00 C ATOM 1638 CD1 TYR A 90 7.283 -6.250 9.415 1.00 0.00 C ATOM 1639 CD2 TYR A 90 5.044 -6.392 8.503 1.00 0.00 C ATOM 1640 CE1 TYR A 90 7.685 -7.311 8.597 1.00 0.00 C ATOM 1641 CE2 TYR A 90 5.447 -7.449 7.684 1.00 0.00 C ATOM 1642 CZ TYR A 90 6.766 -7.907 7.731 1.00 0.00 C ATOM 1643 OH TYR A 90 7.158 -8.948 6.911 1.00 0.00 O ATOM 0 H TYR A 90 4.459 -5.753 12.830 1.00 0.00 H new ATOM 0 HA TYR A 90 6.575 -5.779 11.826 1.00 0.00 H new ATOM 0 HB2 TYR A 90 4.442 -4.557 10.232 1.00 0.00 H new ATOM 0 HB3 TYR A 90 5.925 -3.705 9.847 1.00 0.00 H new ATOM 0 HD1 TYR A 90 7.993 -5.785 10.083 1.00 0.00 H new ATOM 0 HD2 TYR A 90 4.024 -6.039 8.468 1.00 0.00 H new ATOM 0 HE1 TYR A 90 8.703 -7.668 8.635 1.00 0.00 H new ATOM 0 HE2 TYR A 90 4.738 -7.913 7.014 1.00 0.00 H new ATOM 0 HH TYR A 90 7.023 -9.800 7.377 1.00 0.00 H new ATOM 1653 N ARG A 91 6.896 -3.171 13.255 1.00 0.00 N ATOM 1654 CA ARG A 91 7.823 -2.071 13.693 1.00 0.00 C ATOM 1655 C ARG A 91 7.698 -0.844 12.767 1.00 0.00 C ATOM 1656 O ARG A 91 7.673 -0.962 11.562 1.00 0.00 O ATOM 1657 CB ARG A 91 9.232 -2.669 13.628 1.00 0.00 C ATOM 1658 CG ARG A 91 9.613 -3.222 15.003 1.00 0.00 C ATOM 1659 CD ARG A 91 11.135 -3.173 15.178 1.00 0.00 C ATOM 1660 NE ARG A 91 11.664 -4.143 14.173 1.00 0.00 N ATOM 1661 CZ ARG A 91 12.156 -5.283 14.548 1.00 0.00 C ATOM 1662 NH1 ARG A 91 13.125 -5.325 15.409 1.00 0.00 N ATOM 1663 NH2 ARG A 91 11.685 -6.376 14.044 1.00 0.00 N ATOM 0 H ARG A 91 6.191 -3.431 13.945 1.00 0.00 H new ATOM 0 HA ARG A 91 7.584 -1.720 14.697 1.00 0.00 H new ATOM 0 HB2 ARG A 91 9.268 -3.463 12.882 1.00 0.00 H new ATOM 0 HB3 ARG A 91 9.948 -1.908 13.319 1.00 0.00 H new ATOM 0 HG2 ARG A 91 9.129 -2.639 15.787 1.00 0.00 H new ATOM 0 HG3 ARG A 91 9.259 -4.248 15.104 1.00 0.00 H new ATOM 0 HD2 ARG A 91 11.522 -2.169 15.001 1.00 0.00 H new ATOM 0 HD3 ARG A 91 11.426 -3.453 16.190 1.00 0.00 H new ATOM 0 HE ARG A 91 11.638 -3.906 13.181 1.00 0.00 H new ATOM 0 HH11 ARG A 91 13.503 -4.459 15.794 1.00 0.00 H new ATOM 0 HH12 ARG A 91 13.509 -6.224 15.701 1.00 0.00 H new ATOM 0 HH21 ARG A 91 10.932 -6.338 13.357 1.00 0.00 H new ATOM 0 HH22 ARG A 91 12.066 -7.277 14.333 1.00 0.00 H new ATOM 1677 N LYS A 92 7.619 0.339 13.337 1.00 0.00 N ATOM 1678 CA LYS A 92 7.499 1.602 12.519 1.00 0.00 C ATOM 1679 C LYS A 92 6.555 1.428 11.302 1.00 0.00 C ATOM 1680 O LYS A 92 6.747 2.035 10.266 1.00 0.00 O ATOM 1681 CB LYS A 92 8.943 1.924 12.079 1.00 0.00 C ATOM 1682 CG LYS A 92 9.327 1.131 10.819 1.00 0.00 C ATOM 1683 CD LYS A 92 10.471 0.167 11.145 1.00 0.00 C ATOM 1684 CE LYS A 92 10.212 -1.184 10.465 1.00 0.00 C ATOM 1685 NZ LYS A 92 11.534 -1.872 10.434 1.00 0.00 N ATOM 0 H LYS A 92 7.632 0.488 14.346 1.00 0.00 H new ATOM 0 HA LYS A 92 7.055 2.412 13.097 1.00 0.00 H new ATOM 0 HB2 LYS A 92 9.037 2.992 11.883 1.00 0.00 H new ATOM 0 HB3 LYS A 92 9.635 1.686 12.887 1.00 0.00 H new ATOM 0 HG2 LYS A 92 8.465 0.576 10.450 1.00 0.00 H new ATOM 0 HG3 LYS A 92 9.629 1.814 10.025 1.00 0.00 H new ATOM 0 HD2 LYS A 92 11.419 0.582 10.803 1.00 0.00 H new ATOM 0 HD3 LYS A 92 10.552 0.034 12.224 1.00 0.00 H new ATOM 0 HE2 LYS A 92 9.478 -1.769 11.020 1.00 0.00 H new ATOM 0 HE3 LYS A 92 9.816 -1.048 9.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 11.879 -1.917 9.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 12.214 -1.343 11.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 11.432 -2.836 10.810 1.00 0.00 H new ATOM 1699 N MET A 93 5.534 0.611 11.427 1.00 0.00 N ATOM 1700 CA MET A 93 4.582 0.399 10.292 1.00 0.00 C ATOM 1701 C MET A 93 3.152 0.710 10.747 1.00 0.00 C ATOM 1702 O MET A 93 2.684 0.172 11.729 1.00 0.00 O ATOM 1703 CB MET A 93 4.722 -1.083 9.934 1.00 0.00 C ATOM 1704 CG MET A 93 4.596 -1.264 8.421 1.00 0.00 C ATOM 1705 SD MET A 93 5.902 -2.370 7.838 1.00 0.00 S ATOM 1706 CE MET A 93 5.172 -2.748 6.229 1.00 0.00 C ATOM 0 H MET A 93 5.320 0.080 12.271 1.00 0.00 H new ATOM 0 HA MET A 93 4.795 1.045 9.440 1.00 0.00 H new ATOM 0 HB2 MET A 93 5.686 -1.460 10.276 1.00 0.00 H new ATOM 0 HB3 MET A 93 3.954 -1.664 10.444 1.00 0.00 H new ATOM 0 HG2 MET A 93 3.618 -1.676 8.173 1.00 0.00 H new ATOM 0 HG3 MET A 93 4.671 -0.299 7.921 1.00 0.00 H new ATOM 0 HE1 MET A 93 5.963 -2.984 5.517 1.00 0.00 H new ATOM 0 HE2 MET A 93 4.503 -3.603 6.325 1.00 0.00 H new ATOM 0 HE3 MET A 93 4.609 -1.885 5.873 1.00 0.00 H new ATOM 1716 N LYS A 94 2.454 1.568 10.042 1.00 0.00 N ATOM 1717 CA LYS A 94 1.051 1.924 10.434 1.00 0.00 C ATOM 1718 C LYS A 94 0.457 2.897 9.395 1.00 0.00 C ATOM 1719 O LYS A 94 -0.270 3.813 9.732 1.00 0.00 O ATOM 1720 CB LYS A 94 1.179 2.605 11.808 1.00 0.00 C ATOM 1721 CG LYS A 94 0.412 1.806 12.867 1.00 0.00 C ATOM 1722 CD LYS A 94 1.370 1.398 13.988 1.00 0.00 C ATOM 1723 CE LYS A 94 0.597 0.678 15.094 1.00 0.00 C ATOM 1724 NZ LYS A 94 1.650 0.046 15.943 1.00 0.00 N ATOM 0 H LYS A 94 2.798 2.041 9.206 1.00 0.00 H new ATOM 0 HA LYS A 94 0.393 1.056 10.478 1.00 0.00 H new ATOM 0 HB2 LYS A 94 2.230 2.680 12.089 1.00 0.00 H new ATOM 0 HB3 LYS A 94 0.790 3.622 11.756 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -0.404 2.406 13.271 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -0.036 0.921 12.416 1.00 0.00 H new ATOM 0 HD2 LYS A 94 2.150 0.746 13.593 1.00 0.00 H new ATOM 0 HD3 LYS A 94 1.866 2.280 14.393 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -0.011 1.375 15.671 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -0.080 -0.070 14.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 1.201 -0.469 16.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 2.208 -0.617 15.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 2.275 0.783 16.326 1.00 0.00 H new ATOM 1738 N LEU A 95 0.774 2.695 8.133 1.00 0.00 N ATOM 1739 CA LEU A 95 0.252 3.584 7.040 1.00 0.00 C ATOM 1740 C LEU A 95 0.421 5.074 7.396 1.00 0.00 C ATOM 1741 O LEU A 95 -0.411 5.903 7.057 1.00 0.00 O ATOM 1742 CB LEU A 95 -1.223 3.178 6.902 1.00 0.00 C ATOM 1743 CG LEU A 95 -1.359 2.039 5.886 1.00 0.00 C ATOM 1744 CD1 LEU A 95 -1.380 2.612 4.472 1.00 0.00 C ATOM 1745 CD2 LEU A 95 -0.194 1.057 6.014 1.00 0.00 C ATOM 0 H LEU A 95 1.381 1.941 7.811 1.00 0.00 H new ATOM 0 HA LEU A 95 0.795 3.464 6.103 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -1.614 2.862 7.869 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -1.816 4.035 6.582 1.00 0.00 H new ATOM 0 HG LEU A 95 -2.290 1.509 6.086 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -1.477 1.800 3.752 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -2.225 3.292 4.368 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -0.453 3.154 4.285 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -0.311 0.257 5.283 1.00 0.00 H new ATOM 0 HD22 LEU A 95 0.745 1.580 5.832 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -0.184 0.633 7.018 1.00 0.00 H new ATOM 1757 N ARG A 96 1.508 5.417 8.057 1.00 0.00 N ATOM 1758 CA ARG A 96 1.762 6.846 8.434 1.00 0.00 C ATOM 1759 C ARG A 96 3.261 7.079 8.722 1.00 0.00 C ATOM 1760 O ARG A 96 3.646 7.407 9.828 1.00 0.00 O ATOM 1761 CB ARG A 96 0.932 7.069 9.703 1.00 0.00 C ATOM 1762 CG ARG A 96 -0.362 7.814 9.358 1.00 0.00 C ATOM 1763 CD ARG A 96 -1.536 7.163 10.092 1.00 0.00 C ATOM 1764 NE ARG A 96 -2.529 6.851 9.025 1.00 0.00 N ATOM 1765 CZ ARG A 96 -3.637 7.519 8.946 1.00 0.00 C ATOM 1766 NH1 ARG A 96 -4.536 7.385 9.858 1.00 0.00 N ATOM 1767 NH2 ARG A 96 -3.848 8.319 7.953 1.00 0.00 N ATOM 0 H ARG A 96 2.232 4.762 8.352 1.00 0.00 H new ATOM 0 HA ARG A 96 1.490 7.534 7.634 1.00 0.00 H new ATOM 0 HB2 ARG A 96 0.697 6.111 10.167 1.00 0.00 H new ATOM 0 HB3 ARG A 96 1.509 7.642 10.429 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -0.278 8.863 9.643 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -0.533 7.789 8.282 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -1.223 6.260 10.616 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -1.957 7.836 10.839 1.00 0.00 H new ATOM 0 HE ARG A 96 -2.336 6.108 8.354 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -4.376 6.753 10.643 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -5.408 7.911 9.796 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -3.141 8.427 7.226 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -4.722 8.842 7.896 1.00 0.00 H new ATOM 1781 N TYR A 97 4.109 6.919 7.735 1.00 0.00 N ATOM 1782 CA TYR A 97 5.575 7.138 7.948 1.00 0.00 C ATOM 1783 C TYR A 97 6.197 7.626 6.633 1.00 0.00 C ATOM 1784 O TYR A 97 5.825 7.149 5.575 1.00 0.00 O ATOM 1785 CB TYR A 97 6.122 5.758 8.344 1.00 0.00 C ATOM 1786 CG TYR A 97 7.603 5.849 8.628 1.00 0.00 C ATOM 1787 CD1 TYR A 97 8.058 6.472 9.795 1.00 0.00 C ATOM 1788 CD2 TYR A 97 8.523 5.312 7.722 1.00 0.00 C ATOM 1789 CE1 TYR A 97 9.433 6.556 10.054 1.00 0.00 C ATOM 1790 CE2 TYR A 97 9.895 5.399 7.980 1.00 0.00 C ATOM 1791 CZ TYR A 97 10.349 6.020 9.144 1.00 0.00 C ATOM 1792 OH TYR A 97 11.701 6.111 9.391 1.00 0.00 O ATOM 0 H TYR A 97 3.848 6.645 6.788 1.00 0.00 H new ATOM 0 HA TYR A 97 5.799 7.885 8.710 1.00 0.00 H new ATOM 0 HB2 TYR A 97 5.597 5.389 9.225 1.00 0.00 H new ATOM 0 HB3 TYR A 97 5.941 5.042 7.542 1.00 0.00 H new ATOM 0 HD1 TYR A 97 7.350 6.888 10.496 1.00 0.00 H new ATOM 0 HD2 TYR A 97 8.174 4.829 6.821 1.00 0.00 H new ATOM 0 HE1 TYR A 97 9.785 7.035 10.956 1.00 0.00 H new ATOM 0 HE2 TYR A 97 10.603 4.985 7.278 1.00 0.00 H new ATOM 0 HH TYR A 97 12.021 7.001 9.134 1.00 0.00 H new ATOM 1802 N PRO A 98 7.110 8.567 6.716 1.00 0.00 N ATOM 1803 CA PRO A 98 7.738 9.098 5.492 1.00 0.00 C ATOM 1804 C PRO A 98 8.995 8.292 5.182 1.00 0.00 C ATOM 1805 O PRO A 98 9.217 7.228 5.726 1.00 0.00 O ATOM 1806 CB PRO A 98 8.141 10.507 5.893 1.00 0.00 C ATOM 1807 CG PRO A 98 8.370 10.436 7.371 1.00 0.00 C ATOM 1808 CD PRO A 98 7.639 9.227 7.912 1.00 0.00 C ATOM 0 HA PRO A 98 7.087 9.060 4.618 1.00 0.00 H new ATOM 0 HB2 PRO A 98 9.042 10.825 5.368 1.00 0.00 H new ATOM 0 HB3 PRO A 98 7.359 11.226 5.648 1.00 0.00 H new ATOM 0 HG2 PRO A 98 9.436 10.362 7.586 1.00 0.00 H new ATOM 0 HG3 PRO A 98 8.010 11.344 7.854 1.00 0.00 H new ATOM 0 HD2 PRO A 98 8.310 8.570 8.466 1.00 0.00 H new ATOM 0 HD3 PRO A 98 6.840 9.516 8.594 1.00 0.00 H new ATOM 1816 N ILE A 99 9.828 8.797 4.330 1.00 0.00 N ATOM 1817 CA ILE A 99 11.078 8.078 4.007 1.00 0.00 C ATOM 1818 C ILE A 99 12.286 8.949 4.385 1.00 0.00 C ATOM 1819 O ILE A 99 12.642 9.877 3.685 1.00 0.00 O ATOM 1820 CB ILE A 99 10.989 7.781 2.510 1.00 0.00 C ATOM 1821 CG1 ILE A 99 10.776 9.071 1.679 1.00 0.00 C ATOM 1822 CG2 ILE A 99 9.822 6.807 2.262 1.00 0.00 C ATOM 1823 CD1 ILE A 99 9.280 9.372 1.509 1.00 0.00 C ATOM 0 H ILE A 99 9.696 9.682 3.840 1.00 0.00 H new ATOM 0 HA ILE A 99 11.205 7.149 4.563 1.00 0.00 H new ATOM 0 HB ILE A 99 11.932 7.336 2.192 1.00 0.00 H new ATOM 0 HG12 ILE A 99 11.266 9.911 2.171 1.00 0.00 H new ATOM 0 HG13 ILE A 99 11.242 8.959 0.700 1.00 0.00 H new ATOM 0 HG21 ILE A 99 9.750 6.589 1.196 1.00 0.00 H new ATOM 0 HG22 ILE A 99 9.997 5.882 2.811 1.00 0.00 H new ATOM 0 HG23 ILE A 99 8.891 7.260 2.603 1.00 0.00 H new ATOM 0 HD11 ILE A 99 9.156 10.282 0.922 1.00 0.00 H new ATOM 0 HD12 ILE A 99 8.798 8.541 0.995 1.00 0.00 H new ATOM 0 HD13 ILE A 99 8.822 9.507 2.489 1.00 0.00 H new ATOM 1835 N ASN A 100 12.906 8.676 5.508 1.00 0.00 N ATOM 1836 CA ASN A 100 14.072 9.517 5.942 1.00 0.00 C ATOM 1837 C ASN A 100 15.337 9.145 5.158 1.00 0.00 C ATOM 1838 O ASN A 100 15.999 8.173 5.466 1.00 0.00 O ATOM 1839 CB ASN A 100 14.279 9.228 7.437 1.00 0.00 C ATOM 1840 CG ASN A 100 12.943 9.277 8.175 1.00 0.00 C ATOM 1841 OD1 ASN A 100 12.342 8.255 8.433 1.00 0.00 O ATOM 1842 ND2 ASN A 100 12.449 10.425 8.531 1.00 0.00 N ATOM 0 H ASN A 100 12.660 7.914 6.140 1.00 0.00 H new ATOM 0 HA ASN A 100 13.877 10.573 5.758 1.00 0.00 H new ATOM 0 HB2 ASN A 100 14.737 8.247 7.565 1.00 0.00 H new ATOM 0 HB3 ASN A 100 14.966 9.959 7.864 1.00 0.00 H new ATOM 0 HD21 ASN A 100 11.558 10.465 9.026 1.00 0.00 H new ATOM 0 HD22 ASN A 100 12.952 11.286 8.315 1.00 0.00 H new ATOM 1849 N GLU A 101 15.681 9.915 4.156 1.00 0.00 N ATOM 1850 CA GLU A 101 16.911 9.598 3.365 1.00 0.00 C ATOM 1851 C GLU A 101 18.116 10.391 3.881 1.00 0.00 C ATOM 1852 O GLU A 101 18.280 11.563 3.591 1.00 0.00 O ATOM 1853 CB GLU A 101 16.586 9.984 1.916 1.00 0.00 C ATOM 1854 CG GLU A 101 17.089 8.888 0.956 1.00 0.00 C ATOM 1855 CD GLU A 101 18.596 8.665 1.131 1.00 0.00 C ATOM 1856 OE1 GLU A 101 18.990 8.125 2.152 1.00 0.00 O ATOM 1857 OE2 GLU A 101 19.329 9.028 0.235 1.00 0.00 O ATOM 0 H GLU A 101 15.168 10.743 3.853 1.00 0.00 H new ATOM 0 HA GLU A 101 17.177 8.544 3.450 1.00 0.00 H new ATOM 0 HB2 GLU A 101 15.511 10.117 1.798 1.00 0.00 H new ATOM 0 HB3 GLU A 101 17.054 10.937 1.671 1.00 0.00 H new ATOM 0 HG2 GLU A 101 16.554 7.958 1.146 1.00 0.00 H new ATOM 0 HG3 GLU A 101 16.876 9.174 -0.074 1.00 0.00 H new