USER MOD reduce.3.24.130724 H: found=0, std=0, add=680, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 679 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 39 ASN : amide:sc= -1.34 K(o=-1.4,f=-2.2) USER MOD Set 1.2: A 44 THR OG1 : rot 180:sc= -0.102 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 146:sc= 1.42 (180deg=0.867) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.00234 USER MOD Single : A 5 SER OG : rot 71:sc= 1.31 USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 1.1 USER MOD Single : A 25 TYR OH : rot 44:sc= 0.927 USER MOD Single : A 26 LYS NZ :NH3+ -117:sc= 0.57 (180deg=-1.91!) USER MOD Single : A 27 THR OG1 : rot 8:sc= 0.802 USER MOD Single : A 32 GLN : amide:sc= 0.507 K(o=0.51,f=-2.4!) USER MOD Single : A 34 SER OG : rot -47:sc= -0.0437 USER MOD Single : A 35 GLN : amide:sc= 1.13 K(o=1.1,f=0) USER MOD Single : A 38 LYS NZ :NH3+ 140:sc= 1.21 (180deg=-1.93!) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.321 USER MOD Single : A 48 GLN : amide:sc= 0.41 K(o=0.41,f=-2.3) USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN : amide:sc= -0.104 K(o=-0.1,f=-12!) USER MOD Single : A 54 CYS SG : rot 180:sc= -2.06! USER MOD Single : A 55 LYS NZ :NH3+ -177:sc= 1.28 (180deg=1.2) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.018 USER MOD Single : A 59 LYS NZ :NH3+ 152:sc= 2.02 (180deg=0.696) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.0357 USER MOD Single : A 70 MET CE :methyl -179:sc= -0.0434 (180deg=-0.0435) USER MOD Single : A 71 MET CE :methyl 164:sc= -0.434 (180deg=-0.775) USER MOD Single : A 72 THR OG1 : rot -3:sc= 0.517 USER MOD Single : A 74 CYS SG : rot -92:sc= 0.948 USER MOD Single : A 75 GLN : amide:sc= 0.46 X(o=0.46,f=-0.006) USER MOD Single : A 82 HIS : no HD1:sc= -0.302 X(o=-0.3,f=-0.3) USER MOD Single : A 83 LYS NZ :NH3+ 164:sc= 1.58 (180deg=1.05) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.870 -4.288 -11.593 1.00 0.00 N ATOM 2 CA MET A 1 -3.108 -3.579 -10.313 1.00 0.00 C ATOM 3 C MET A 1 -2.183 -4.176 -9.264 1.00 0.00 C ATOM 4 O MET A 1 -1.807 -5.334 -9.417 1.00 0.00 O ATOM 5 CB MET A 1 -4.570 -3.704 -9.844 1.00 0.00 C ATOM 6 CG MET A 1 -5.559 -2.892 -10.692 1.00 0.00 C ATOM 7 SD MET A 1 -5.669 -3.369 -12.440 1.00 0.00 S ATOM 8 CE MET A 1 -7.068 -2.338 -12.962 1.00 0.00 C ATOM 0 H1 MET A 1 -3.763 -4.358 -12.122 1.00 0.00 H new ATOM 0 H2 MET A 1 -2.173 -3.761 -12.157 1.00 0.00 H new ATOM 0 H3 MET A 1 -2.507 -5.243 -11.399 1.00 0.00 H new ATOM 0 HA MET A 1 -2.907 -2.518 -10.459 1.00 0.00 H new ATOM 0 HB2 MET A 1 -4.862 -4.754 -9.867 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.639 -3.376 -8.807 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.550 -2.981 -10.247 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.278 -1.840 -10.638 1.00 0.00 H new ATOM 0 HE1 MET A 1 -7.271 -2.509 -14.019 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.950 -2.598 -12.376 1.00 0.00 H new ATOM 0 HE3 MET A 1 -6.824 -1.287 -12.805 1.00 0.00 H new ATOM 20 N SER A 2 -1.798 -3.409 -8.244 1.00 0.00 N ATOM 21 CA SER A 2 -1.005 -3.926 -7.120 1.00 0.00 C ATOM 22 C SER A 2 -1.769 -5.007 -6.335 1.00 0.00 C ATOM 23 O SER A 2 -2.916 -4.760 -5.962 1.00 0.00 O ATOM 24 CB SER A 2 -0.660 -2.792 -6.146 1.00 0.00 C ATOM 25 OG SER A 2 -0.095 -1.697 -6.847 1.00 0.00 O ATOM 0 H SER A 2 -2.024 -2.417 -8.170 1.00 0.00 H new ATOM 0 HA SER A 2 -0.099 -4.360 -7.544 1.00 0.00 H new ATOM 0 HB2 SER A 2 -1.558 -2.471 -5.618 1.00 0.00 H new ATOM 0 HB3 SER A 2 0.041 -3.151 -5.393 1.00 0.00 H new ATOM 0 HG SER A 2 0.119 -0.979 -6.215 1.00 0.00 H new ATOM 31 N PRO A 3 -1.187 -6.200 -6.103 1.00 0.00 N ATOM 32 CA PRO A 3 -1.712 -7.183 -5.157 1.00 0.00 C ATOM 33 C PRO A 3 -1.160 -6.905 -3.743 1.00 0.00 C ATOM 34 O PRO A 3 -0.305 -6.038 -3.572 1.00 0.00 O ATOM 35 CB PRO A 3 -1.174 -8.514 -5.691 1.00 0.00 C ATOM 36 CG PRO A 3 0.224 -8.130 -6.183 1.00 0.00 C ATOM 37 CD PRO A 3 0.032 -6.709 -6.720 1.00 0.00 C ATOM 0 HA PRO A 3 -2.799 -7.166 -5.076 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -1.136 -9.278 -4.914 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -1.794 -8.909 -6.496 1.00 0.00 H new ATOM 0 HG2 PRO A 3 0.956 -8.159 -5.376 1.00 0.00 H new ATOM 0 HG3 PRO A 3 0.578 -8.809 -6.959 1.00 0.00 H new ATOM 0 HD2 PRO A 3 0.886 -6.080 -6.470 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -0.054 -6.712 -7.807 1.00 0.00 H new ATOM 45 N THR A 4 -1.596 -7.690 -2.756 1.00 0.00 N ATOM 46 CA THR A 4 -0.985 -7.749 -1.416 1.00 0.00 C ATOM 47 C THR A 4 0.075 -8.865 -1.349 1.00 0.00 C ATOM 48 O THR A 4 0.135 -9.736 -2.229 1.00 0.00 O ATOM 49 CB THR A 4 -2.059 -7.962 -0.333 1.00 0.00 C ATOM 50 OG1 THR A 4 -2.928 -9.028 -0.660 1.00 0.00 O ATOM 51 CG2 THR A 4 -2.946 -6.730 -0.172 1.00 0.00 C ATOM 0 H THR A 4 -2.396 -8.314 -2.861 1.00 0.00 H new ATOM 0 HA THR A 4 -0.493 -6.795 -1.228 1.00 0.00 H new ATOM 0 HB THR A 4 -1.508 -8.173 0.583 1.00 0.00 H new ATOM 0 HG1 THR A 4 -3.595 -9.136 0.050 1.00 0.00 H new ATOM 0 HG21 THR A 4 -3.692 -6.917 0.601 1.00 0.00 H new ATOM 0 HG22 THR A 4 -2.333 -5.875 0.115 1.00 0.00 H new ATOM 0 HG23 THR A 4 -3.447 -6.517 -1.116 1.00 0.00 H new ATOM 59 N SER A 5 0.904 -8.832 -0.302 1.00 0.00 N ATOM 60 CA SER A 5 2.060 -9.704 -0.015 1.00 0.00 C ATOM 61 C SER A 5 1.720 -10.757 1.062 1.00 0.00 C ATOM 62 O SER A 5 0.560 -10.927 1.434 1.00 0.00 O ATOM 63 CB SER A 5 3.249 -8.854 0.488 1.00 0.00 C ATOM 64 OG SER A 5 3.234 -7.527 0.004 1.00 0.00 O ATOM 0 H SER A 5 0.778 -8.137 0.433 1.00 0.00 H new ATOM 0 HA SER A 5 2.322 -10.217 -0.941 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.238 -8.836 1.578 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.181 -9.332 0.187 1.00 0.00 H new ATOM 0 HG SER A 5 2.501 -7.033 0.427 1.00 0.00 H new ATOM 70 N ILE A 6 2.701 -11.525 1.564 1.00 0.00 N ATOM 71 CA ILE A 6 2.490 -12.335 2.780 1.00 0.00 C ATOM 72 C ILE A 6 2.384 -11.394 3.987 1.00 0.00 C ATOM 73 O ILE A 6 1.348 -11.383 4.646 1.00 0.00 O ATOM 74 CB ILE A 6 3.524 -13.483 2.967 1.00 0.00 C ATOM 75 CG1 ILE A 6 3.796 -13.862 4.446 1.00 0.00 C ATOM 76 CG2 ILE A 6 4.877 -13.277 2.256 1.00 0.00 C ATOM 77 CD1 ILE A 6 2.549 -14.143 5.308 1.00 0.00 C ATOM 0 H ILE A 6 3.633 -11.604 1.157 1.00 0.00 H new ATOM 0 HA ILE A 6 1.550 -12.876 2.674 1.00 0.00 H new ATOM 0 HB ILE A 6 3.012 -14.310 2.475 1.00 0.00 H new ATOM 0 HG12 ILE A 6 4.433 -14.746 4.463 1.00 0.00 H new ATOM 0 HG13 ILE A 6 4.361 -13.053 4.910 1.00 0.00 H new ATOM 0 HG21 ILE A 6 5.524 -14.133 2.450 1.00 0.00 H new ATOM 0 HG22 ILE A 6 4.713 -13.182 1.183 1.00 0.00 H new ATOM 0 HG23 ILE A 6 5.352 -12.371 2.632 1.00 0.00 H new ATOM 0 HD11 ILE A 6 2.857 -14.398 6.322 1.00 0.00 H new ATOM 0 HD12 ILE A 6 1.917 -13.256 5.333 1.00 0.00 H new ATOM 0 HD13 ILE A 6 1.990 -14.975 4.879 1.00 0.00 H new ATOM 89 N LEU A 7 3.394 -10.550 4.227 1.00 0.00 N ATOM 90 CA LEU A 7 3.471 -9.623 5.374 1.00 0.00 C ATOM 91 C LEU A 7 2.310 -8.610 5.515 1.00 0.00 C ATOM 92 O LEU A 7 2.290 -7.827 6.459 1.00 0.00 O ATOM 93 CB LEU A 7 4.836 -8.913 5.337 1.00 0.00 C ATOM 94 CG LEU A 7 4.988 -7.924 4.157 1.00 0.00 C ATOM 95 CD1 LEU A 7 5.164 -6.489 4.649 1.00 0.00 C ATOM 96 CD2 LEU A 7 6.205 -8.282 3.307 1.00 0.00 C ATOM 0 H LEU A 7 4.207 -10.487 3.614 1.00 0.00 H new ATOM 0 HA LEU A 7 3.365 -10.238 6.268 1.00 0.00 H new ATOM 0 HB2 LEU A 7 4.981 -8.374 6.273 1.00 0.00 H new ATOM 0 HB3 LEU A 7 5.625 -9.663 5.276 1.00 0.00 H new ATOM 0 HG LEU A 7 4.076 -7.998 3.565 1.00 0.00 H new ATOM 0 HD11 LEU A 7 5.268 -5.821 3.794 1.00 0.00 H new ATOM 0 HD12 LEU A 7 4.293 -6.196 5.235 1.00 0.00 H new ATOM 0 HD13 LEU A 7 6.057 -6.424 5.270 1.00 0.00 H new ATOM 0 HD21 LEU A 7 6.294 -7.574 2.483 1.00 0.00 H new ATOM 0 HD22 LEU A 7 7.104 -8.238 3.922 1.00 0.00 H new ATOM 0 HD23 LEU A 7 6.087 -9.290 2.909 1.00 0.00 H new ATOM 108 N ASP A 8 1.346 -8.647 4.599 1.00 0.00 N ATOM 109 CA ASP A 8 0.117 -7.872 4.567 1.00 0.00 C ATOM 110 C ASP A 8 -1.001 -8.534 5.404 1.00 0.00 C ATOM 111 O ASP A 8 -1.959 -7.886 5.822 1.00 0.00 O ATOM 112 CB ASP A 8 -0.317 -7.904 3.096 1.00 0.00 C ATOM 113 CG ASP A 8 0.179 -6.738 2.240 1.00 0.00 C ATOM 114 OD1 ASP A 8 1.272 -6.866 1.639 1.00 0.00 O ATOM 115 OD2 ASP A 8 -0.599 -5.783 2.063 1.00 0.00 O ATOM 0 H ASP A 8 1.414 -9.272 3.796 1.00 0.00 H new ATOM 0 HA ASP A 8 0.280 -6.872 4.969 1.00 0.00 H new ATOM 0 HB2 ASP A 8 0.035 -8.835 2.651 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -1.406 -7.924 3.057 1.00 0.00 H new ATOM 120 N ILE A 9 -0.899 -9.849 5.643 1.00 0.00 N ATOM 121 CA ILE A 9 -1.980 -10.681 6.181 1.00 0.00 C ATOM 122 C ILE A 9 -1.527 -11.635 7.300 1.00 0.00 C ATOM 123 O ILE A 9 -0.573 -12.391 7.175 1.00 0.00 O ATOM 124 CB ILE A 9 -2.723 -11.407 5.044 1.00 0.00 C ATOM 125 CG1 ILE A 9 -1.787 -12.210 4.116 1.00 0.00 C ATOM 126 CG2 ILE A 9 -3.574 -10.403 4.242 1.00 0.00 C ATOM 127 CD1 ILE A 9 -2.582 -13.104 3.170 1.00 0.00 C ATOM 0 H ILE A 9 -0.043 -10.374 5.463 1.00 0.00 H new ATOM 0 HA ILE A 9 -2.686 -10.007 6.667 1.00 0.00 H new ATOM 0 HB ILE A 9 -3.378 -12.142 5.512 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -1.168 -11.524 3.538 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -1.112 -12.820 4.716 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -4.095 -10.926 3.440 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -4.303 -9.934 4.903 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -2.927 -9.637 3.814 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -1.895 -13.657 2.529 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -3.181 -13.806 3.750 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -3.238 -12.489 2.554 1.00 0.00 H new ATOM 139 N ARG A 10 -2.318 -11.631 8.382 1.00 0.00 N ATOM 140 CA ARG A 10 -2.222 -12.196 9.755 1.00 0.00 C ATOM 141 C ARG A 10 -1.496 -13.524 10.114 1.00 0.00 C ATOM 142 O ARG A 10 -1.775 -14.036 11.193 1.00 0.00 O ATOM 143 CB ARG A 10 -3.647 -12.100 10.367 1.00 0.00 C ATOM 144 CG ARG A 10 -4.804 -12.599 9.478 1.00 0.00 C ATOM 145 CD ARG A 10 -4.736 -14.068 9.017 1.00 0.00 C ATOM 146 NE ARG A 10 -5.410 -15.035 9.908 1.00 0.00 N ATOM 147 CZ ARG A 10 -6.684 -15.168 10.236 1.00 0.00 C ATOM 148 NH1 ARG A 10 -7.615 -14.289 10.014 1.00 0.00 N ATOM 149 NH2 ARG A 10 -7.054 -16.250 10.830 1.00 0.00 N ATOM 0 H ARG A 10 -3.209 -11.140 8.304 1.00 0.00 H new ATOM 0 HA ARG A 10 -1.447 -11.575 10.204 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -3.660 -12.668 11.297 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -3.839 -11.059 10.627 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -5.738 -12.455 10.022 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -4.850 -11.966 8.592 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -5.179 -14.142 8.024 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -3.689 -14.355 8.921 1.00 0.00 H new ATOM 0 HE ARG A 10 -4.787 -15.715 10.344 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -7.386 -13.410 9.550 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -8.575 -14.478 10.303 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -6.370 -16.978 11.036 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -8.031 -16.378 11.094 1.00 0.00 H new ATOM 163 N GLN A 11 -0.610 -14.099 9.288 1.00 0.00 N ATOM 164 CA GLN A 11 0.277 -15.272 9.544 1.00 0.00 C ATOM 165 C GLN A 11 -0.280 -16.385 10.455 1.00 0.00 C ATOM 166 O GLN A 11 0.362 -16.977 11.320 1.00 0.00 O ATOM 167 CB GLN A 11 1.635 -14.787 10.019 1.00 0.00 C ATOM 168 CG GLN A 11 1.587 -14.072 11.380 1.00 0.00 C ATOM 169 CD GLN A 11 2.968 -13.700 11.914 1.00 0.00 C ATOM 170 OE1 GLN A 11 3.293 -12.542 12.100 1.00 0.00 O ATOM 171 NE2 GLN A 11 3.829 -14.652 12.202 1.00 0.00 N ATOM 0 H GLN A 11 -0.475 -13.736 8.344 1.00 0.00 H new ATOM 0 HA GLN A 11 0.357 -15.777 8.581 1.00 0.00 H new ATOM 0 HB2 GLN A 11 2.313 -15.638 10.088 1.00 0.00 H new ATOM 0 HB3 GLN A 11 2.051 -14.108 9.275 1.00 0.00 H new ATOM 0 HG2 GLN A 11 0.985 -13.168 11.287 1.00 0.00 H new ATOM 0 HG3 GLN A 11 1.086 -14.715 12.103 1.00 0.00 H new ATOM 0 HE21 GLN A 11 3.577 -15.629 12.054 1.00 0.00 H new ATOM 0 HE22 GLN A 11 4.748 -14.413 12.574 1.00 0.00 H new ATOM 180 N GLY A 12 -1.544 -16.644 10.220 1.00 0.00 N ATOM 181 CA GLY A 12 -2.443 -17.391 11.081 1.00 0.00 C ATOM 182 C GLY A 12 -3.512 -18.113 10.287 1.00 0.00 C ATOM 183 O GLY A 12 -4.678 -17.746 10.388 1.00 0.00 O ATOM 0 H GLY A 12 -2.006 -16.320 9.370 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -1.872 -18.114 11.663 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -2.914 -16.712 11.791 1.00 0.00 H new ATOM 187 N PRO A 13 -3.145 -19.124 9.492 1.00 0.00 N ATOM 188 CA PRO A 13 -4.071 -19.926 8.697 1.00 0.00 C ATOM 189 C PRO A 13 -4.966 -20.849 9.544 1.00 0.00 C ATOM 190 O PRO A 13 -5.693 -21.650 8.969 1.00 0.00 O ATOM 191 CB PRO A 13 -3.149 -20.737 7.776 1.00 0.00 C ATOM 192 CG PRO A 13 -1.911 -20.949 8.642 1.00 0.00 C ATOM 193 CD PRO A 13 -1.785 -19.600 9.333 1.00 0.00 C ATOM 0 HA PRO A 13 -4.781 -19.297 8.160 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -3.603 -21.683 7.480 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -2.914 -20.196 6.860 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -2.044 -21.763 9.354 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -1.030 -21.188 8.046 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -1.287 -19.697 10.298 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -1.192 -18.906 8.737 1.00 0.00 H new ATOM 201 N LYS A 14 -4.915 -20.764 10.883 1.00 0.00 N ATOM 202 CA LYS A 14 -5.528 -21.728 11.833 1.00 0.00 C ATOM 203 C LYS A 14 -6.978 -22.124 11.504 1.00 0.00 C ATOM 204 O LYS A 14 -7.296 -23.302 11.369 1.00 0.00 O ATOM 205 CB LYS A 14 -5.496 -21.178 13.269 1.00 0.00 C ATOM 206 CG LYS A 14 -4.147 -20.656 13.783 1.00 0.00 C ATOM 207 CD LYS A 14 -4.388 -20.026 15.161 1.00 0.00 C ATOM 208 CE LYS A 14 -3.106 -19.448 15.761 1.00 0.00 C ATOM 209 NZ LYS A 14 -3.414 -18.719 17.015 1.00 0.00 N ATOM 0 H LYS A 14 -4.432 -20.001 11.357 1.00 0.00 H new ATOM 0 HA LYS A 14 -4.918 -22.626 11.737 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -6.222 -20.368 13.338 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -5.833 -21.966 13.942 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -3.424 -21.469 13.855 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -3.733 -19.921 13.093 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -5.134 -19.237 15.073 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -4.797 -20.778 15.836 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -2.396 -20.250 15.962 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -2.632 -18.775 15.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -2.536 -18.330 17.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -4.076 -17.943 16.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -3.846 -19.372 17.699 1.00 0.00 H new ATOM 223 N GLU A 15 -7.872 -21.146 11.390 1.00 0.00 N ATOM 224 CA GLU A 15 -9.274 -21.376 11.041 1.00 0.00 C ATOM 225 C GLU A 15 -9.493 -21.627 9.533 1.00 0.00 C ATOM 226 O GLU A 15 -10.208 -22.589 9.229 1.00 0.00 O ATOM 227 CB GLU A 15 -10.245 -20.283 11.554 1.00 0.00 C ATOM 228 CG GLU A 15 -9.793 -19.429 12.750 1.00 0.00 C ATOM 229 CD GLU A 15 -8.847 -18.313 12.298 1.00 0.00 C ATOM 230 OE1 GLU A 15 -9.328 -17.243 11.858 1.00 0.00 O ATOM 231 OE2 GLU A 15 -7.616 -18.554 12.277 1.00 0.00 O ATOM 0 H GLU A 15 -7.644 -20.163 11.538 1.00 0.00 H new ATOM 0 HA GLU A 15 -9.523 -22.294 11.574 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -10.461 -19.610 10.724 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -11.183 -20.768 11.824 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -10.664 -18.996 13.242 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -9.293 -20.060 13.484 1.00 0.00 H new ATOM 238 N PRO A 16 -8.930 -20.811 8.607 1.00 0.00 N ATOM 239 CA PRO A 16 -9.264 -20.868 7.177 1.00 0.00 C ATOM 240 C PRO A 16 -8.416 -21.805 6.299 1.00 0.00 C ATOM 241 O PRO A 16 -8.793 -21.992 5.149 1.00 0.00 O ATOM 242 CB PRO A 16 -9.059 -19.425 6.678 1.00 0.00 C ATOM 243 CG PRO A 16 -7.922 -18.911 7.550 1.00 0.00 C ATOM 244 CD PRO A 16 -8.257 -19.540 8.893 1.00 0.00 C ATOM 0 HA PRO A 16 -10.272 -21.273 7.090 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -8.798 -19.399 5.620 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -9.961 -18.826 6.799 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -6.947 -19.229 7.181 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -7.905 -17.822 7.601 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -7.353 -19.704 9.480 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -8.902 -18.884 9.478 1.00 0.00 H new ATOM 252 N PHE A 17 -7.296 -22.356 6.789 1.00 0.00 N ATOM 253 CA PHE A 17 -6.175 -23.035 6.091 1.00 0.00 C ATOM 254 C PHE A 17 -6.128 -22.866 4.560 1.00 0.00 C ATOM 255 O PHE A 17 -5.328 -22.064 4.080 1.00 0.00 O ATOM 256 CB PHE A 17 -5.955 -24.494 6.571 1.00 0.00 C ATOM 257 CG PHE A 17 -4.494 -24.879 6.844 1.00 0.00 C ATOM 258 CD1 PHE A 17 -3.816 -24.275 7.925 1.00 0.00 C ATOM 259 CD2 PHE A 17 -3.812 -25.857 6.079 1.00 0.00 C ATOM 260 CE1 PHE A 17 -2.455 -24.536 8.165 1.00 0.00 C ATOM 261 CE2 PHE A 17 -2.451 -26.139 6.344 1.00 0.00 C ATOM 262 CZ PHE A 17 -1.769 -25.441 7.351 1.00 0.00 C ATOM 0 H PHE A 17 -7.127 -22.339 7.795 1.00 0.00 H new ATOM 0 HA PHE A 17 -5.298 -22.473 6.413 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -6.532 -24.650 7.483 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -6.358 -25.172 5.819 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -4.351 -23.602 8.578 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -4.331 -26.387 5.294 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -1.942 -24.039 8.975 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -1.936 -26.894 5.769 1.00 0.00 H new ATOM 0 HZ PHE A 17 -0.711 -25.603 7.498 1.00 0.00 H new ATOM 272 N ARG A 18 -7.015 -23.533 3.801 1.00 0.00 N ATOM 273 CA ARG A 18 -7.207 -23.382 2.342 1.00 0.00 C ATOM 274 C ARG A 18 -7.296 -21.926 1.854 1.00 0.00 C ATOM 275 O ARG A 18 -6.610 -21.544 0.914 1.00 0.00 O ATOM 276 CB ARG A 18 -8.405 -24.242 1.906 1.00 0.00 C ATOM 277 CG ARG A 18 -9.772 -23.917 2.532 1.00 0.00 C ATOM 278 CD ARG A 18 -10.573 -22.859 1.765 1.00 0.00 C ATOM 279 NE ARG A 18 -11.290 -23.437 0.608 1.00 0.00 N ATOM 280 CZ ARG A 18 -11.890 -22.786 -0.378 1.00 0.00 C ATOM 281 NH1 ARG A 18 -12.020 -21.497 -0.416 1.00 0.00 N ATOM 282 NH2 ARG A 18 -12.381 -23.437 -1.395 1.00 0.00 N ATOM 0 H ARG A 18 -7.648 -24.224 4.203 1.00 0.00 H new ATOM 0 HA ARG A 18 -6.305 -23.746 1.850 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -8.502 -24.161 0.823 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -8.171 -25.283 2.128 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -10.361 -24.833 2.590 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -9.619 -23.572 3.554 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -11.290 -22.389 2.438 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -9.900 -22.075 1.419 1.00 0.00 H new ATOM 0 HE ARG A 18 -11.327 -24.455 0.564 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -11.649 -20.924 0.342 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -12.493 -21.055 -1.204 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -12.305 -24.453 -1.435 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -12.842 -22.930 -2.151 1.00 0.00 H new ATOM 296 N ASP A 19 -8.084 -21.094 2.531 1.00 0.00 N ATOM 297 CA ASP A 19 -8.384 -19.703 2.114 1.00 0.00 C ATOM 298 C ASP A 19 -7.269 -18.701 2.442 1.00 0.00 C ATOM 299 O ASP A 19 -7.362 -17.510 2.144 1.00 0.00 O ATOM 300 CB ASP A 19 -9.733 -19.235 2.692 1.00 0.00 C ATOM 301 CG ASP A 19 -10.845 -19.388 1.660 1.00 0.00 C ATOM 302 OD1 ASP A 19 -10.716 -18.851 0.535 1.00 0.00 O ATOM 303 OD2 ASP A 19 -11.799 -20.141 1.931 1.00 0.00 O ATOM 0 H ASP A 19 -8.546 -21.360 3.401 1.00 0.00 H new ATOM 0 HA ASP A 19 -8.450 -19.726 1.026 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -9.974 -19.816 3.582 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -9.659 -18.193 3.002 1.00 0.00 H new ATOM 308 N TYR A 20 -6.185 -19.213 3.010 1.00 0.00 N ATOM 309 CA TYR A 20 -4.980 -18.446 3.344 1.00 0.00 C ATOM 310 C TYR A 20 -3.721 -19.028 2.670 1.00 0.00 C ATOM 311 O TYR A 20 -2.917 -18.282 2.115 1.00 0.00 O ATOM 312 CB TYR A 20 -4.887 -18.329 4.876 1.00 0.00 C ATOM 313 CG TYR A 20 -3.776 -17.418 5.359 1.00 0.00 C ATOM 314 CD1 TYR A 20 -2.472 -17.928 5.423 1.00 0.00 C ATOM 315 CD2 TYR A 20 -4.016 -16.070 5.694 1.00 0.00 C ATOM 316 CE1 TYR A 20 -1.398 -17.102 5.779 1.00 0.00 C ATOM 317 CE2 TYR A 20 -2.938 -15.231 6.050 1.00 0.00 C ATOM 318 CZ TYR A 20 -1.620 -15.742 6.058 1.00 0.00 C ATOM 319 OH TYR A 20 -0.538 -14.961 6.302 1.00 0.00 O ATOM 0 H TYR A 20 -6.112 -20.199 3.260 1.00 0.00 H new ATOM 0 HA TYR A 20 -5.048 -17.436 2.939 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -5.838 -17.960 5.260 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -4.737 -19.323 5.297 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -2.293 -18.969 5.196 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -5.023 -15.680 5.678 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -0.400 -17.510 5.839 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -3.120 -14.200 6.316 1.00 0.00 H new ATOM 0 HH TYR A 20 -0.831 -14.043 6.479 1.00 0.00 H new ATOM 329 N VAL A 21 -3.579 -20.358 2.623 1.00 0.00 N ATOM 330 CA VAL A 21 -2.484 -21.056 1.926 1.00 0.00 C ATOM 331 C VAL A 21 -2.427 -20.773 0.436 1.00 0.00 C ATOM 332 O VAL A 21 -1.338 -20.523 -0.080 1.00 0.00 O ATOM 333 CB VAL A 21 -2.551 -22.570 2.182 1.00 0.00 C ATOM 334 CG1 VAL A 21 -3.785 -23.267 1.618 1.00 0.00 C ATOM 335 CG2 VAL A 21 -1.365 -23.314 1.596 1.00 0.00 C ATOM 0 H VAL A 21 -4.234 -20.995 3.077 1.00 0.00 H new ATOM 0 HA VAL A 21 -1.562 -20.656 2.347 1.00 0.00 H new ATOM 0 HB VAL A 21 -2.570 -22.615 3.271 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -3.740 -24.331 1.850 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -4.682 -22.836 2.063 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -3.816 -23.133 0.537 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -1.464 -24.379 1.806 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -1.335 -23.158 0.518 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.444 -22.940 2.043 1.00 0.00 H new ATOM 345 N ASP A 22 -3.579 -20.723 -0.231 1.00 0.00 N ATOM 346 CA ASP A 22 -3.632 -20.374 -1.644 1.00 0.00 C ATOM 347 C ASP A 22 -3.089 -18.976 -1.899 1.00 0.00 C ATOM 348 O ASP A 22 -2.329 -18.749 -2.832 1.00 0.00 O ATOM 349 CB ASP A 22 -5.075 -20.505 -2.131 1.00 0.00 C ATOM 350 CG ASP A 22 -5.275 -21.721 -3.042 1.00 0.00 C ATOM 351 OD1 ASP A 22 -4.637 -22.774 -2.781 1.00 0.00 O ATOM 352 OD2 ASP A 22 -6.055 -21.575 -4.005 1.00 0.00 O ATOM 0 H ASP A 22 -4.488 -20.921 0.188 1.00 0.00 H new ATOM 0 HA ASP A 22 -2.996 -21.060 -2.203 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -5.740 -20.585 -1.271 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -5.358 -19.600 -2.669 1.00 0.00 H new ATOM 357 N ARG A 23 -3.444 -18.049 -1.011 1.00 0.00 N ATOM 358 CA ARG A 23 -3.038 -16.639 -1.058 1.00 0.00 C ATOM 359 C ARG A 23 -1.564 -16.441 -0.710 1.00 0.00 C ATOM 360 O ARG A 23 -0.935 -15.554 -1.280 1.00 0.00 O ATOM 361 CB ARG A 23 -3.924 -15.768 -0.143 1.00 0.00 C ATOM 362 CG ARG A 23 -5.315 -16.311 0.155 1.00 0.00 C ATOM 363 CD ARG A 23 -6.182 -16.516 -1.086 1.00 0.00 C ATOM 364 NE ARG A 23 -7.526 -16.060 -0.738 1.00 0.00 N ATOM 365 CZ ARG A 23 -8.619 -16.797 -0.637 1.00 0.00 C ATOM 366 NH1 ARG A 23 -8.770 -17.966 -1.184 1.00 0.00 N ATOM 367 NH2 ARG A 23 -9.623 -16.396 0.080 1.00 0.00 N ATOM 0 H ARG A 23 -4.041 -18.262 -0.212 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.176 -16.317 -2.090 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -3.402 -15.623 0.803 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -4.030 -14.785 -0.602 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -5.218 -17.262 0.679 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -5.824 -15.625 0.832 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -5.788 -15.951 -1.931 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -6.193 -17.565 -1.381 1.00 0.00 H new ATOM 0 HE ARG A 23 -7.633 -15.063 -0.552 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -8.014 -18.373 -1.735 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -9.644 -18.477 -1.062 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -9.574 -15.504 0.573 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -10.461 -16.972 0.151 1.00 0.00 H new ATOM 381 N PHE A 24 -1.024 -17.257 0.200 1.00 0.00 N ATOM 382 CA PHE A 24 0.385 -17.212 0.603 1.00 0.00 C ATOM 383 C PHE A 24 1.307 -17.738 -0.506 1.00 0.00 C ATOM 384 O PHE A 24 2.229 -17.037 -0.902 1.00 0.00 O ATOM 385 CB PHE A 24 0.602 -17.968 1.933 1.00 0.00 C ATOM 386 CG PHE A 24 2.010 -17.860 2.529 1.00 0.00 C ATOM 387 CD1 PHE A 24 3.128 -18.322 1.809 1.00 0.00 C ATOM 388 CD2 PHE A 24 2.227 -17.347 3.827 1.00 0.00 C ATOM 389 CE1 PHE A 24 4.420 -18.131 2.291 1.00 0.00 C ATOM 390 CE2 PHE A 24 3.540 -17.231 4.341 1.00 0.00 C ATOM 391 CZ PHE A 24 4.646 -17.542 3.527 1.00 0.00 C ATOM 0 H PHE A 24 -1.560 -17.977 0.684 1.00 0.00 H new ATOM 0 HA PHE A 24 0.651 -16.168 0.768 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -0.114 -17.594 2.665 1.00 0.00 H new ATOM 0 HB3 PHE A 24 0.373 -19.022 1.774 1.00 0.00 H new ATOM 0 HD1 PHE A 24 2.981 -18.832 0.869 1.00 0.00 H new ATOM 0 HD2 PHE A 24 1.385 -17.041 4.431 1.00 0.00 H new ATOM 0 HE1 PHE A 24 5.261 -18.447 1.692 1.00 0.00 H new ATOM 0 HE2 PHE A 24 3.694 -16.904 5.359 1.00 0.00 H new ATOM 0 HZ PHE A 24 5.651 -17.326 3.858 1.00 0.00 H new ATOM 401 N TYR A 25 1.146 -18.969 -1.009 1.00 0.00 N ATOM 402 CA TYR A 25 2.070 -19.469 -2.050 1.00 0.00 C ATOM 403 C TYR A 25 2.003 -18.584 -3.318 1.00 0.00 C ATOM 404 O TYR A 25 3.042 -18.267 -3.899 1.00 0.00 O ATOM 405 CB TYR A 25 1.807 -20.947 -2.341 1.00 0.00 C ATOM 406 CG TYR A 25 2.520 -22.019 -1.503 1.00 0.00 C ATOM 407 CD1 TYR A 25 3.017 -21.788 -0.198 1.00 0.00 C ATOM 408 CD2 TYR A 25 2.700 -23.298 -2.073 1.00 0.00 C ATOM 409 CE1 TYR A 25 3.716 -22.794 0.498 1.00 0.00 C ATOM 410 CE2 TYR A 25 3.374 -24.318 -1.367 1.00 0.00 C ATOM 411 CZ TYR A 25 3.888 -24.068 -0.079 1.00 0.00 C ATOM 412 OH TYR A 25 4.463 -25.079 0.627 1.00 0.00 O ATOM 0 H TYR A 25 0.414 -19.621 -0.729 1.00 0.00 H new ATOM 0 HA TYR A 25 3.092 -19.400 -1.678 1.00 0.00 H new ATOM 0 HB2 TYR A 25 0.734 -21.114 -2.242 1.00 0.00 H new ATOM 0 HB3 TYR A 25 2.062 -21.125 -3.386 1.00 0.00 H new ATOM 0 HD1 TYR A 25 2.858 -20.828 0.270 1.00 0.00 H new ATOM 0 HD2 TYR A 25 2.317 -23.499 -3.063 1.00 0.00 H new ATOM 0 HE1 TYR A 25 4.122 -22.588 1.478 1.00 0.00 H new ATOM 0 HE2 TYR A 25 3.496 -25.293 -1.815 1.00 0.00 H new ATOM 0 HH TYR A 25 4.093 -25.096 1.534 1.00 0.00 H new ATOM 422 N LYS A 26 0.810 -18.057 -3.654 1.00 0.00 N ATOM 423 CA LYS A 26 0.565 -17.000 -4.658 1.00 0.00 C ATOM 424 C LYS A 26 1.334 -15.688 -4.412 1.00 0.00 C ATOM 425 O LYS A 26 1.461 -14.887 -5.345 1.00 0.00 O ATOM 426 CB LYS A 26 -0.964 -16.774 -4.718 1.00 0.00 C ATOM 427 CG LYS A 26 -1.482 -15.454 -5.314 1.00 0.00 C ATOM 428 CD LYS A 26 -1.514 -14.357 -4.229 1.00 0.00 C ATOM 429 CE LYS A 26 -1.453 -12.942 -4.813 1.00 0.00 C ATOM 430 NZ LYS A 26 -0.047 -12.504 -4.988 1.00 0.00 N ATOM 0 H LYS A 26 -0.053 -18.372 -3.211 1.00 0.00 H new ATOM 0 HA LYS A 26 0.953 -17.339 -5.618 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -1.399 -17.592 -5.293 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -1.353 -16.856 -3.703 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -0.841 -15.142 -6.138 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -2.481 -15.599 -5.725 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -2.424 -14.463 -3.639 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -0.675 -14.501 -3.549 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -1.968 -12.918 -5.773 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -1.975 -12.249 -4.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 0.137 -11.678 -4.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 0.594 -13.279 -4.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 0.115 -12.247 -5.983 1.00 0.00 H new ATOM 444 N THR A 27 1.775 -15.383 -3.189 1.00 0.00 N ATOM 445 CA THR A 27 2.664 -14.237 -2.910 1.00 0.00 C ATOM 446 C THR A 27 4.093 -14.722 -2.899 1.00 0.00 C ATOM 447 O THR A 27 4.802 -14.395 -3.840 1.00 0.00 O ATOM 448 CB THR A 27 2.318 -13.449 -1.629 1.00 0.00 C ATOM 449 OG1 THR A 27 1.972 -14.254 -0.534 1.00 0.00 O ATOM 450 CG2 THR A 27 1.094 -12.588 -1.889 1.00 0.00 C ATOM 0 H THR A 27 1.529 -15.921 -2.358 1.00 0.00 H new ATOM 0 HA THR A 27 2.515 -13.513 -3.711 1.00 0.00 H new ATOM 0 HB THR A 27 3.220 -12.885 -1.389 1.00 0.00 H new ATOM 0 HG1 THR A 27 2.142 -15.194 -0.753 1.00 0.00 H new ATOM 0 HG21 THR A 27 0.844 -12.029 -0.987 1.00 0.00 H new ATOM 0 HG22 THR A 27 1.304 -11.892 -2.701 1.00 0.00 H new ATOM 0 HG23 THR A 27 0.253 -13.225 -2.165 1.00 0.00 H new ATOM 458 N LEU A 28 4.433 -15.640 -1.995 1.00 0.00 N ATOM 459 CA LEU A 28 5.783 -16.216 -1.789 1.00 0.00 C ATOM 460 C LEU A 28 6.601 -16.419 -3.078 1.00 0.00 C ATOM 461 O LEU A 28 7.799 -16.132 -3.097 1.00 0.00 O ATOM 462 CB LEU A 28 5.644 -17.508 -0.953 1.00 0.00 C ATOM 463 CG LEU A 28 6.709 -18.620 -1.169 1.00 0.00 C ATOM 464 CD1 LEU A 28 7.019 -19.403 0.100 1.00 0.00 C ATOM 465 CD2 LEU A 28 6.261 -19.674 -2.191 1.00 0.00 C ATOM 0 H LEU A 28 3.747 -16.029 -1.348 1.00 0.00 H new ATOM 0 HA LEU A 28 6.376 -15.485 -1.240 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.657 -17.230 0.101 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.663 -17.937 -1.157 1.00 0.00 H new ATOM 0 HG LEU A 28 7.584 -18.070 -1.516 1.00 0.00 H new ATOM 0 HD11 LEU A 28 7.769 -20.164 -0.116 1.00 0.00 H new ATOM 0 HD12 LEU A 28 7.400 -18.724 0.863 1.00 0.00 H new ATOM 0 HD13 LEU A 28 6.110 -19.882 0.463 1.00 0.00 H new ATOM 0 HD21 LEU A 28 7.042 -20.426 -2.304 1.00 0.00 H new ATOM 0 HD22 LEU A 28 5.344 -20.151 -1.844 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.078 -19.194 -3.152 1.00 0.00 H new ATOM 477 N ARG A 29 5.940 -16.919 -4.133 1.00 0.00 N ATOM 478 CA ARG A 29 6.439 -17.338 -5.469 1.00 0.00 C ATOM 479 C ARG A 29 7.496 -16.494 -6.222 1.00 0.00 C ATOM 480 O ARG A 29 7.839 -16.859 -7.340 1.00 0.00 O ATOM 481 CB ARG A 29 5.244 -17.723 -6.366 1.00 0.00 C ATOM 482 CG ARG A 29 4.198 -16.634 -6.669 1.00 0.00 C ATOM 483 CD ARG A 29 4.712 -15.408 -7.443 1.00 0.00 C ATOM 484 NE ARG A 29 5.160 -14.339 -6.531 1.00 0.00 N ATOM 485 CZ ARG A 29 5.371 -13.066 -6.784 1.00 0.00 C ATOM 486 NH1 ARG A 29 5.326 -12.600 -8.001 1.00 0.00 N ATOM 487 NH2 ARG A 29 5.618 -12.233 -5.818 1.00 0.00 N ATOM 0 H ARG A 29 4.931 -17.058 -4.073 1.00 0.00 H new ATOM 0 HA ARG A 29 7.070 -18.191 -5.220 1.00 0.00 H new ATOM 0 HB2 ARG A 29 5.640 -18.082 -7.316 1.00 0.00 H new ATOM 0 HB3 ARG A 29 4.729 -18.562 -5.898 1.00 0.00 H new ATOM 0 HG2 ARG A 29 3.386 -17.086 -7.239 1.00 0.00 H new ATOM 0 HG3 ARG A 29 3.773 -16.292 -5.725 1.00 0.00 H new ATOM 0 HD2 ARG A 29 5.538 -15.705 -8.090 1.00 0.00 H new ATOM 0 HD3 ARG A 29 3.921 -15.028 -8.090 1.00 0.00 H new ATOM 0 HE ARG A 29 5.330 -14.628 -5.568 1.00 0.00 H new ATOM 0 HH11 ARG A 29 5.124 -13.227 -8.780 1.00 0.00 H new ATOM 0 HH12 ARG A 29 5.493 -11.609 -8.174 1.00 0.00 H new ATOM 0 HH21 ARG A 29 5.649 -12.565 -4.854 1.00 0.00 H new ATOM 0 HH22 ARG A 29 5.780 -11.247 -6.024 1.00 0.00 H new ATOM 501 N ALA A 30 8.025 -15.411 -5.658 1.00 0.00 N ATOM 502 CA ALA A 30 9.198 -14.687 -6.163 1.00 0.00 C ATOM 503 C ALA A 30 10.125 -14.237 -5.017 1.00 0.00 C ATOM 504 O ALA A 30 11.342 -14.332 -5.141 1.00 0.00 O ATOM 505 CB ALA A 30 8.747 -13.490 -7.003 1.00 0.00 C ATOM 0 H ALA A 30 7.640 -14.997 -4.809 1.00 0.00 H new ATOM 0 HA ALA A 30 9.773 -15.366 -6.792 1.00 0.00 H new ATOM 0 HB1 ALA A 30 9.622 -12.956 -7.375 1.00 0.00 H new ATOM 0 HB2 ALA A 30 8.150 -13.841 -7.845 1.00 0.00 H new ATOM 0 HB3 ALA A 30 8.147 -12.819 -6.388 1.00 0.00 H new ATOM 511 N GLU A 31 9.558 -13.811 -3.884 1.00 0.00 N ATOM 512 CA GLU A 31 10.299 -13.287 -2.726 1.00 0.00 C ATOM 513 C GLU A 31 10.954 -14.394 -1.878 1.00 0.00 C ATOM 514 O GLU A 31 11.907 -14.144 -1.144 1.00 0.00 O ATOM 515 CB GLU A 31 9.383 -12.377 -1.873 1.00 0.00 C ATOM 516 CG GLU A 31 8.036 -12.975 -1.406 1.00 0.00 C ATOM 517 CD GLU A 31 6.849 -12.679 -2.338 1.00 0.00 C ATOM 518 OE1 GLU A 31 7.028 -12.779 -3.579 1.00 0.00 O ATOM 519 OE2 GLU A 31 5.734 -12.429 -1.824 1.00 0.00 O ATOM 0 H GLU A 31 8.548 -13.820 -3.740 1.00 0.00 H new ATOM 0 HA GLU A 31 11.124 -12.688 -3.113 1.00 0.00 H new ATOM 0 HB2 GLU A 31 9.941 -12.068 -0.989 1.00 0.00 H new ATOM 0 HB3 GLU A 31 9.172 -11.475 -2.448 1.00 0.00 H new ATOM 0 HG2 GLU A 31 8.146 -14.055 -1.311 1.00 0.00 H new ATOM 0 HG3 GLU A 31 7.807 -12.589 -0.413 1.00 0.00 H new ATOM 526 N GLN A 32 10.454 -15.626 -1.995 1.00 0.00 N ATOM 527 CA GLN A 32 10.929 -16.830 -1.304 1.00 0.00 C ATOM 528 C GLN A 32 10.458 -18.090 -2.069 1.00 0.00 C ATOM 529 O GLN A 32 10.058 -19.092 -1.488 1.00 0.00 O ATOM 530 CB GLN A 32 10.556 -16.785 0.201 1.00 0.00 C ATOM 531 CG GLN A 32 9.245 -16.065 0.569 1.00 0.00 C ATOM 532 CD GLN A 32 9.001 -16.041 2.071 1.00 0.00 C ATOM 533 OE1 GLN A 32 8.230 -16.832 2.596 1.00 0.00 O ATOM 534 NE2 GLN A 32 9.663 -15.172 2.806 1.00 0.00 N ATOM 0 H GLN A 32 9.663 -15.823 -2.608 1.00 0.00 H new ATOM 0 HA GLN A 32 12.018 -16.874 -1.310 1.00 0.00 H new ATOM 0 HB2 GLN A 32 10.495 -17.810 0.567 1.00 0.00 H new ATOM 0 HB3 GLN A 32 11.372 -16.302 0.739 1.00 0.00 H new ATOM 0 HG2 GLN A 32 9.276 -15.043 0.192 1.00 0.00 H new ATOM 0 HG3 GLN A 32 8.410 -16.561 0.075 1.00 0.00 H new ATOM 0 HE21 GLN A 32 10.305 -14.514 2.364 1.00 0.00 H new ATOM 0 HE22 GLN A 32 9.534 -15.157 3.818 1.00 0.00 H new ATOM 543 N ALA A 33 10.496 -18.016 -3.407 1.00 0.00 N ATOM 544 CA ALA A 33 9.919 -18.922 -4.417 1.00 0.00 C ATOM 545 C ALA A 33 10.142 -20.457 -4.328 1.00 0.00 C ATOM 546 O ALA A 33 9.682 -21.177 -5.215 1.00 0.00 O ATOM 547 CB ALA A 33 10.402 -18.412 -5.781 1.00 0.00 C ATOM 0 H ALA A 33 10.982 -17.240 -3.858 1.00 0.00 H new ATOM 0 HA ALA A 33 8.846 -18.870 -4.232 1.00 0.00 H new ATOM 0 HB1 ALA A 33 10.003 -19.049 -6.570 1.00 0.00 H new ATOM 0 HB2 ALA A 33 10.056 -17.389 -5.930 1.00 0.00 H new ATOM 0 HB3 ALA A 33 11.491 -18.435 -5.813 1.00 0.00 H new ATOM 553 N SER A 34 10.829 -20.990 -3.313 1.00 0.00 N ATOM 554 CA SER A 34 11.077 -22.431 -3.145 1.00 0.00 C ATOM 555 C SER A 34 9.831 -23.175 -2.627 1.00 0.00 C ATOM 556 O SER A 34 9.824 -23.655 -1.496 1.00 0.00 O ATOM 557 CB SER A 34 12.308 -22.661 -2.253 1.00 0.00 C ATOM 558 OG SER A 34 12.955 -23.893 -2.533 1.00 0.00 O ATOM 0 H SER A 34 11.237 -20.424 -2.569 1.00 0.00 H new ATOM 0 HA SER A 34 11.293 -22.855 -4.126 1.00 0.00 H new ATOM 0 HB2 SER A 34 13.014 -21.842 -2.394 1.00 0.00 H new ATOM 0 HB3 SER A 34 12.004 -22.643 -1.206 1.00 0.00 H new ATOM 0 HG SER A 34 12.287 -24.609 -2.586 1.00 0.00 H new ATOM 564 N GLN A 35 8.768 -23.261 -3.440 1.00 0.00 N ATOM 565 CA GLN A 35 7.590 -24.111 -3.195 1.00 0.00 C ATOM 566 C GLN A 35 8.017 -25.573 -2.968 1.00 0.00 C ATOM 567 O GLN A 35 8.248 -26.315 -3.922 1.00 0.00 O ATOM 568 CB GLN A 35 6.593 -23.991 -4.366 1.00 0.00 C ATOM 569 CG GLN A 35 5.287 -24.756 -4.067 1.00 0.00 C ATOM 570 CD GLN A 35 4.941 -25.909 -5.004 1.00 0.00 C ATOM 571 OE1 GLN A 35 3.855 -26.002 -5.544 1.00 0.00 O ATOM 572 NE2 GLN A 35 5.798 -26.884 -5.175 1.00 0.00 N ATOM 0 H GLN A 35 8.700 -22.729 -4.308 1.00 0.00 H new ATOM 0 HA GLN A 35 7.089 -23.768 -2.290 1.00 0.00 H new ATOM 0 HB2 GLN A 35 6.368 -22.940 -4.550 1.00 0.00 H new ATOM 0 HB3 GLN A 35 7.047 -24.383 -5.276 1.00 0.00 H new ATOM 0 HG2 GLN A 35 5.347 -25.148 -3.052 1.00 0.00 H new ATOM 0 HG3 GLN A 35 4.463 -24.043 -4.085 1.00 0.00 H new ATOM 0 HE21 GLN A 35 6.718 -26.838 -4.736 1.00 0.00 H new ATOM 0 HE22 GLN A 35 5.546 -27.690 -5.747 1.00 0.00 H new ATOM 581 N GLU A 36 8.150 -25.996 -1.712 1.00 0.00 N ATOM 582 CA GLU A 36 8.821 -27.252 -1.363 1.00 0.00 C ATOM 583 C GLU A 36 8.649 -27.596 0.121 1.00 0.00 C ATOM 584 O GLU A 36 8.262 -26.741 0.911 1.00 0.00 O ATOM 585 CB GLU A 36 10.319 -27.015 -1.641 1.00 0.00 C ATOM 586 CG GLU A 36 11.075 -28.280 -2.028 1.00 0.00 C ATOM 587 CD GLU A 36 12.536 -27.928 -2.344 1.00 0.00 C ATOM 588 OE1 GLU A 36 12.805 -26.882 -2.979 1.00 0.00 O ATOM 589 OE2 GLU A 36 13.442 -28.600 -1.803 1.00 0.00 O ATOM 0 H GLU A 36 7.797 -25.480 -0.906 1.00 0.00 H new ATOM 0 HA GLU A 36 8.400 -28.076 -1.939 1.00 0.00 H new ATOM 0 HB2 GLU A 36 10.420 -26.282 -2.442 1.00 0.00 H new ATOM 0 HB3 GLU A 36 10.781 -26.583 -0.753 1.00 0.00 H new ATOM 0 HG2 GLU A 36 11.032 -29.005 -1.215 1.00 0.00 H new ATOM 0 HG3 GLU A 36 10.606 -28.745 -2.895 1.00 0.00 H new ATOM 596 N VAL A 37 9.034 -28.807 0.544 1.00 0.00 N ATOM 597 CA VAL A 37 9.153 -29.132 1.987 1.00 0.00 C ATOM 598 C VAL A 37 10.169 -28.224 2.706 1.00 0.00 C ATOM 599 O VAL A 37 10.081 -28.024 3.914 1.00 0.00 O ATOM 600 CB VAL A 37 9.414 -30.632 2.220 1.00 0.00 C ATOM 601 CG1 VAL A 37 10.892 -30.998 2.396 1.00 0.00 C ATOM 602 CG2 VAL A 37 8.590 -31.172 3.404 1.00 0.00 C ATOM 0 H VAL A 37 9.269 -29.578 -0.081 1.00 0.00 H new ATOM 0 HA VAL A 37 8.187 -28.918 2.444 1.00 0.00 H new ATOM 0 HB VAL A 37 9.087 -31.115 1.299 1.00 0.00 H new ATOM 0 HG11 VAL A 37 10.984 -32.072 2.555 1.00 0.00 H new ATOM 0 HG12 VAL A 37 11.446 -30.715 1.501 1.00 0.00 H new ATOM 0 HG13 VAL A 37 11.298 -30.468 3.257 1.00 0.00 H new ATOM 0 HG21 VAL A 37 8.799 -32.233 3.539 1.00 0.00 H new ATOM 0 HG22 VAL A 37 8.859 -30.631 4.311 1.00 0.00 H new ATOM 0 HG23 VAL A 37 7.528 -31.035 3.201 1.00 0.00 H new ATOM 612 N LYS A 38 11.085 -27.592 1.948 1.00 0.00 N ATOM 613 CA LYS A 38 11.937 -26.475 2.433 1.00 0.00 C ATOM 614 C LYS A 38 11.131 -25.269 2.966 1.00 0.00 C ATOM 615 O LYS A 38 11.730 -24.334 3.480 1.00 0.00 O ATOM 616 CB LYS A 38 12.974 -26.004 1.391 1.00 0.00 C ATOM 617 CG LYS A 38 14.157 -26.968 1.211 1.00 0.00 C ATOM 618 CD LYS A 38 15.396 -26.266 0.617 1.00 0.00 C ATOM 619 CE LYS A 38 15.153 -25.561 -0.726 1.00 0.00 C ATOM 620 NZ LYS A 38 15.173 -26.505 -1.864 1.00 0.00 N ATOM 0 H LYS A 38 11.260 -27.839 0.974 1.00 0.00 H new ATOM 0 HA LYS A 38 12.480 -26.904 3.275 1.00 0.00 H new ATOM 0 HB2 LYS A 38 12.476 -25.872 0.431 1.00 0.00 H new ATOM 0 HB3 LYS A 38 13.356 -25.027 1.688 1.00 0.00 H new ATOM 0 HG2 LYS A 38 14.417 -27.406 2.175 1.00 0.00 H new ATOM 0 HG3 LYS A 38 13.859 -27.789 0.558 1.00 0.00 H new ATOM 0 HD2 LYS A 38 15.760 -25.532 1.336 1.00 0.00 H new ATOM 0 HD3 LYS A 38 16.187 -27.004 0.486 1.00 0.00 H new ATOM 0 HE2 LYS A 38 14.191 -25.050 -0.697 1.00 0.00 H new ATOM 0 HE3 LYS A 38 15.916 -24.797 -0.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 14.425 -26.250 -2.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 16.098 -26.459 -2.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 15.010 -27.471 -1.516 1.00 0.00 H new ATOM 634 N ASN A 39 9.798 -25.295 2.876 1.00 0.00 N ATOM 635 CA ASN A 39 8.840 -24.409 3.544 1.00 0.00 C ATOM 636 C ASN A 39 9.285 -24.026 4.976 1.00 0.00 C ATOM 637 O ASN A 39 9.244 -22.846 5.310 1.00 0.00 O ATOM 638 CB ASN A 39 7.460 -25.119 3.462 1.00 0.00 C ATOM 639 CG ASN A 39 6.593 -25.064 4.707 1.00 0.00 C ATOM 640 OD1 ASN A 39 6.948 -25.548 5.760 1.00 0.00 O ATOM 641 ND2 ASN A 39 5.386 -24.566 4.623 1.00 0.00 N ATOM 0 H ASN A 39 9.326 -25.986 2.292 1.00 0.00 H new ATOM 0 HA ASN A 39 8.777 -23.440 3.048 1.00 0.00 H new ATOM 0 HB2 ASN A 39 6.899 -24.680 2.637 1.00 0.00 H new ATOM 0 HB3 ASN A 39 7.630 -26.166 3.211 1.00 0.00 H new ATOM 0 HD21 ASN A 39 4.767 -24.590 5.433 1.00 0.00 H new ATOM 0 HD22 ASN A 39 5.064 -24.153 3.747 1.00 0.00 H new ATOM 648 N ALA A 40 9.808 -24.980 5.756 1.00 0.00 N ATOM 649 CA ALA A 40 10.323 -24.820 7.122 1.00 0.00 C ATOM 650 C ALA A 40 11.657 -24.027 7.229 1.00 0.00 C ATOM 651 O ALA A 40 12.549 -24.379 8.004 1.00 0.00 O ATOM 652 CB ALA A 40 10.419 -26.226 7.733 1.00 0.00 C ATOM 0 H ALA A 40 9.888 -25.943 5.430 1.00 0.00 H new ATOM 0 HA ALA A 40 9.631 -24.194 7.686 1.00 0.00 H new ATOM 0 HB1 ALA A 40 10.799 -26.155 8.752 1.00 0.00 H new ATOM 0 HB2 ALA A 40 9.431 -26.686 7.745 1.00 0.00 H new ATOM 0 HB3 ALA A 40 11.096 -26.837 7.136 1.00 0.00 H new ATOM 658 N MET A 41 11.825 -22.977 6.418 1.00 0.00 N ATOM 659 CA MET A 41 12.993 -22.078 6.368 1.00 0.00 C ATOM 660 C MET A 41 12.614 -20.588 6.218 1.00 0.00 C ATOM 661 O MET A 41 13.447 -19.721 6.482 1.00 0.00 O ATOM 662 CB MET A 41 13.941 -22.502 5.231 1.00 0.00 C ATOM 663 CG MET A 41 14.392 -23.960 5.374 1.00 0.00 C ATOM 664 SD MET A 41 15.653 -24.519 4.195 1.00 0.00 S ATOM 665 CE MET A 41 15.726 -26.255 4.704 1.00 0.00 C ATOM 0 H MET A 41 11.111 -22.713 5.739 1.00 0.00 H new ATOM 0 HA MET A 41 13.499 -22.173 7.329 1.00 0.00 H new ATOM 0 HB2 MET A 41 13.439 -22.370 4.272 1.00 0.00 H new ATOM 0 HB3 MET A 41 14.815 -21.851 5.226 1.00 0.00 H new ATOM 0 HG2 MET A 41 14.777 -24.103 6.384 1.00 0.00 H new ATOM 0 HG3 MET A 41 13.517 -24.602 5.272 1.00 0.00 H new ATOM 0 HE1 MET A 41 16.456 -26.784 4.091 1.00 0.00 H new ATOM 0 HE2 MET A 41 16.021 -26.315 5.752 1.00 0.00 H new ATOM 0 HE3 MET A 41 14.745 -26.713 4.576 1.00 0.00 H new ATOM 675 N THR A 42 11.362 -20.291 5.855 1.00 0.00 N ATOM 676 CA THR A 42 10.742 -18.958 5.800 1.00 0.00 C ATOM 677 C THR A 42 9.422 -18.952 6.574 1.00 0.00 C ATOM 678 O THR A 42 8.980 -19.969 7.095 1.00 0.00 O ATOM 679 CB THR A 42 10.505 -18.488 4.343 1.00 0.00 C ATOM 680 OG1 THR A 42 10.581 -19.519 3.377 1.00 0.00 O ATOM 681 CG2 THR A 42 11.655 -17.575 3.949 1.00 0.00 C ATOM 0 H THR A 42 10.709 -21.022 5.573 1.00 0.00 H new ATOM 0 HA THR A 42 11.437 -18.258 6.264 1.00 0.00 H new ATOM 0 HB THR A 42 9.510 -18.042 4.344 1.00 0.00 H new ATOM 0 HG1 THR A 42 10.419 -19.145 2.486 1.00 0.00 H new ATOM 0 HG21 THR A 42 11.511 -17.230 2.925 1.00 0.00 H new ATOM 0 HG22 THR A 42 11.685 -16.717 4.620 1.00 0.00 H new ATOM 0 HG23 THR A 42 12.595 -18.123 4.019 1.00 0.00 H new ATOM 689 N GLU A 43 8.754 -17.800 6.670 1.00 0.00 N ATOM 690 CA GLU A 43 7.423 -17.662 7.288 1.00 0.00 C ATOM 691 C GLU A 43 6.328 -18.558 6.674 1.00 0.00 C ATOM 692 O GLU A 43 5.259 -18.713 7.257 1.00 0.00 O ATOM 693 CB GLU A 43 6.976 -16.190 7.287 1.00 0.00 C ATOM 694 CG GLU A 43 7.097 -15.434 5.954 1.00 0.00 C ATOM 695 CD GLU A 43 8.429 -14.681 5.829 1.00 0.00 C ATOM 696 OE1 GLU A 43 9.451 -15.365 5.583 1.00 0.00 O ATOM 697 OE2 GLU A 43 8.434 -13.439 5.945 1.00 0.00 O ATOM 0 H GLU A 43 9.125 -16.918 6.316 1.00 0.00 H new ATOM 0 HA GLU A 43 7.545 -18.015 8.312 1.00 0.00 H new ATOM 0 HB2 GLU A 43 5.935 -16.150 7.608 1.00 0.00 H new ATOM 0 HB3 GLU A 43 7.561 -15.656 8.036 1.00 0.00 H new ATOM 0 HG2 GLU A 43 7.003 -16.140 5.129 1.00 0.00 H new ATOM 0 HG3 GLU A 43 6.273 -14.727 5.864 1.00 0.00 H new ATOM 704 N THR A 44 6.583 -19.147 5.503 1.00 0.00 N ATOM 705 CA THR A 44 5.762 -20.196 4.858 1.00 0.00 C ATOM 706 C THR A 44 5.420 -21.326 5.819 1.00 0.00 C ATOM 707 O THR A 44 6.216 -22.219 6.085 1.00 0.00 O ATOM 708 CB THR A 44 6.332 -20.733 3.520 1.00 0.00 C ATOM 709 OG1 THR A 44 6.207 -22.124 3.379 1.00 0.00 O ATOM 710 CG2 THR A 44 7.800 -20.445 3.292 1.00 0.00 C ATOM 0 H THR A 44 7.402 -18.901 4.947 1.00 0.00 H new ATOM 0 HA THR A 44 4.835 -19.691 4.587 1.00 0.00 H new ATOM 0 HB THR A 44 5.723 -20.194 2.794 1.00 0.00 H new ATOM 0 HG1 THR A 44 6.582 -22.400 2.517 1.00 0.00 H new ATOM 0 HG21 THR A 44 8.107 -20.859 2.331 1.00 0.00 H new ATOM 0 HG22 THR A 44 7.964 -19.367 3.292 1.00 0.00 H new ATOM 0 HG23 THR A 44 8.388 -20.901 4.088 1.00 0.00 H new ATOM 718 N LEU A 45 4.170 -21.323 6.262 1.00 0.00 N ATOM 719 CA LEU A 45 3.662 -22.201 7.301 1.00 0.00 C ATOM 720 C LEU A 45 2.570 -23.173 6.794 1.00 0.00 C ATOM 721 O LEU A 45 1.641 -23.496 7.527 1.00 0.00 O ATOM 722 CB LEU A 45 3.241 -21.283 8.461 1.00 0.00 C ATOM 723 CG LEU A 45 2.015 -20.374 8.232 1.00 0.00 C ATOM 724 CD1 LEU A 45 1.655 -19.797 9.598 1.00 0.00 C ATOM 725 CD2 LEU A 45 2.102 -19.188 7.260 1.00 0.00 C ATOM 0 H LEU A 45 3.461 -20.688 5.895 1.00 0.00 H new ATOM 0 HA LEU A 45 4.425 -22.896 7.651 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.040 -21.908 9.331 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.090 -20.648 8.714 1.00 0.00 H new ATOM 0 HG LEU A 45 1.293 -21.033 7.750 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.790 -19.142 9.500 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.419 -20.609 10.285 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.499 -19.227 9.986 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.144 -18.669 7.232 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.878 -18.500 7.595 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.346 -19.553 6.262 1.00 0.00 H new ATOM 737 N LEU A 46 2.611 -23.565 5.508 1.00 0.00 N ATOM 738 CA LEU A 46 1.491 -24.207 4.784 1.00 0.00 C ATOM 739 C LEU A 46 1.870 -24.733 3.364 1.00 0.00 C ATOM 740 O LEU A 46 3.009 -24.542 2.947 1.00 0.00 O ATOM 741 CB LEU A 46 0.335 -23.170 4.766 1.00 0.00 C ATOM 742 CG LEU A 46 0.727 -21.673 4.608 1.00 0.00 C ATOM 743 CD1 LEU A 46 1.441 -21.292 3.312 1.00 0.00 C ATOM 744 CD2 LEU A 46 -0.478 -20.781 4.865 1.00 0.00 C ATOM 0 H LEU A 46 3.441 -23.443 4.927 1.00 0.00 H new ATOM 0 HA LEU A 46 1.187 -25.118 5.299 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -0.340 -23.431 3.951 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -0.229 -23.276 5.693 1.00 0.00 H new ATOM 0 HG LEU A 46 1.488 -21.506 5.370 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.662 -20.225 3.319 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.371 -21.855 3.230 1.00 0.00 H new ATOM 0 HD13 LEU A 46 0.800 -21.524 2.462 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -0.188 -19.736 4.751 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -1.266 -21.019 4.151 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.844 -20.947 5.878 1.00 0.00 H new ATOM 756 N VAL A 47 0.948 -25.396 2.632 1.00 0.00 N ATOM 757 CA VAL A 47 1.148 -26.012 1.293 1.00 0.00 C ATOM 758 C VAL A 47 -0.117 -25.961 0.417 1.00 0.00 C ATOM 759 O VAL A 47 -1.150 -26.481 0.833 1.00 0.00 O ATOM 760 CB VAL A 47 1.523 -27.512 1.387 1.00 0.00 C ATOM 761 CG1 VAL A 47 2.244 -27.898 0.098 1.00 0.00 C ATOM 762 CG2 VAL A 47 2.379 -27.902 2.590 1.00 0.00 C ATOM 0 H VAL A 47 -0.005 -25.525 2.972 1.00 0.00 H new ATOM 0 HA VAL A 47 1.953 -25.425 0.851 1.00 0.00 H new ATOM 0 HB VAL A 47 0.589 -28.056 1.526 1.00 0.00 H new ATOM 0 HG11 VAL A 47 2.520 -28.952 0.137 1.00 0.00 H new ATOM 0 HG12 VAL A 47 1.585 -27.727 -0.753 1.00 0.00 H new ATOM 0 HG13 VAL A 47 3.143 -27.291 -0.012 1.00 0.00 H new ATOM 0 HG21 VAL A 47 2.584 -28.972 2.559 1.00 0.00 H new ATOM 0 HG22 VAL A 47 3.319 -27.352 2.561 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.846 -27.661 3.510 1.00 0.00 H new ATOM 772 N GLN A 48 -0.086 -25.369 -0.784 1.00 0.00 N ATOM 773 CA GLN A 48 -1.278 -25.319 -1.655 1.00 0.00 C ATOM 774 C GLN A 48 -1.873 -26.679 -1.981 1.00 0.00 C ATOM 775 O GLN A 48 -1.148 -27.663 -2.120 1.00 0.00 O ATOM 776 CB GLN A 48 -1.010 -24.596 -2.970 1.00 0.00 C ATOM 777 CG GLN A 48 -1.113 -23.110 -2.687 1.00 0.00 C ATOM 778 CD GLN A 48 -1.265 -22.304 -3.972 1.00 0.00 C ATOM 779 OE1 GLN A 48 -0.315 -21.766 -4.518 1.00 0.00 O ATOM 780 NE2 GLN A 48 -2.459 -22.221 -4.516 1.00 0.00 N ATOM 0 H GLN A 48 0.742 -24.920 -1.176 1.00 0.00 H new ATOM 0 HA GLN A 48 -2.001 -24.763 -1.059 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -0.022 -24.848 -3.354 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -1.733 -24.895 -3.729 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -1.966 -22.921 -2.035 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -0.223 -22.778 -2.152 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -3.257 -22.668 -4.065 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -2.587 -21.709 -5.389 1.00 0.00 H new ATOM 789 N ASN A 49 -3.206 -26.714 -2.100 1.00 0.00 N ATOM 790 CA ASN A 49 -4.031 -27.916 -2.192 1.00 0.00 C ATOM 791 C ASN A 49 -3.862 -28.921 -1.019 1.00 0.00 C ATOM 792 O ASN A 49 -4.869 -29.523 -0.631 1.00 0.00 O ATOM 793 CB ASN A 49 -3.839 -28.491 -3.610 1.00 0.00 C ATOM 794 CG ASN A 49 -4.236 -29.941 -3.751 1.00 0.00 C ATOM 795 OD1 ASN A 49 -5.397 -30.310 -3.682 1.00 0.00 O ATOM 796 ND2 ASN A 49 -3.275 -30.804 -3.955 1.00 0.00 N ATOM 0 H ASN A 49 -3.762 -25.860 -2.136 1.00 0.00 H new ATOM 0 HA ASN A 49 -5.081 -27.657 -2.058 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -4.423 -27.896 -4.313 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -2.792 -28.384 -3.894 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -3.493 -31.795 -4.058 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -2.307 -30.486 -4.011 1.00 0.00 H new ATOM 803 N ALA A 50 -2.706 -28.989 -0.341 1.00 0.00 N ATOM 804 CA ALA A 50 -2.309 -30.015 0.623 1.00 0.00 C ATOM 805 C ALA A 50 -2.900 -31.396 0.255 1.00 0.00 C ATOM 806 O ALA A 50 -2.631 -31.938 -0.815 1.00 0.00 O ATOM 807 CB ALA A 50 -2.654 -29.497 2.034 1.00 0.00 C ATOM 0 H ALA A 50 -1.981 -28.282 -0.462 1.00 0.00 H new ATOM 0 HA ALA A 50 -1.234 -30.192 0.601 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.368 -30.243 2.775 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.112 -28.571 2.224 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -3.726 -29.311 2.101 1.00 0.00 H new ATOM 813 N ASN A 51 -3.766 -31.919 1.121 1.00 0.00 N ATOM 814 CA ASN A 51 -4.647 -33.074 0.928 1.00 0.00 C ATOM 815 C ASN A 51 -5.984 -32.721 1.634 1.00 0.00 C ATOM 816 O ASN A 51 -6.053 -31.656 2.265 1.00 0.00 O ATOM 817 CB ASN A 51 -3.952 -34.340 1.471 1.00 0.00 C ATOM 818 CG ASN A 51 -3.952 -34.436 2.986 1.00 0.00 C ATOM 819 OD1 ASN A 51 -4.119 -33.465 3.695 1.00 0.00 O ATOM 820 ND2 ASN A 51 -3.812 -35.598 3.550 1.00 0.00 N ATOM 0 H ASN A 51 -3.880 -31.515 2.051 1.00 0.00 H new ATOM 0 HA ASN A 51 -4.860 -33.292 -0.119 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -4.447 -35.220 1.060 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -2.922 -34.359 1.115 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -3.844 -35.679 4.566 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -3.670 -36.430 2.976 1.00 0.00 H new ATOM 827 N PRO A 52 -7.090 -33.482 1.524 1.00 0.00 N ATOM 828 CA PRO A 52 -8.308 -33.116 2.256 1.00 0.00 C ATOM 829 C PRO A 52 -8.104 -33.221 3.777 1.00 0.00 C ATOM 830 O PRO A 52 -8.471 -32.303 4.514 1.00 0.00 O ATOM 831 CB PRO A 52 -9.407 -34.043 1.732 1.00 0.00 C ATOM 832 CG PRO A 52 -8.664 -35.243 1.144 1.00 0.00 C ATOM 833 CD PRO A 52 -7.273 -34.716 0.775 1.00 0.00 C ATOM 0 HA PRO A 52 -8.584 -32.075 2.090 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -10.080 -34.349 2.533 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -10.015 -33.546 0.976 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -8.597 -36.057 1.866 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -9.181 -35.635 0.268 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -6.502 -35.443 1.030 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -7.198 -34.534 -0.297 1.00 0.00 H new ATOM 841 N ASP A 53 -7.453 -34.300 4.210 1.00 0.00 N ATOM 842 CA ASP A 53 -7.294 -34.716 5.602 1.00 0.00 C ATOM 843 C ASP A 53 -6.641 -33.635 6.487 1.00 0.00 C ATOM 844 O ASP A 53 -7.172 -33.302 7.541 1.00 0.00 O ATOM 845 CB ASP A 53 -6.508 -36.044 5.641 1.00 0.00 C ATOM 846 CG ASP A 53 -6.920 -37.064 4.557 1.00 0.00 C ATOM 847 OD1 ASP A 53 -6.693 -36.793 3.353 1.00 0.00 O ATOM 848 OD2 ASP A 53 -7.486 -38.113 4.920 1.00 0.00 O ATOM 0 H ASP A 53 -6.997 -34.943 3.562 1.00 0.00 H new ATOM 0 HA ASP A 53 -8.286 -34.867 6.027 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -5.446 -35.826 5.532 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.641 -36.501 6.621 1.00 0.00 H new ATOM 853 N CYS A 54 -5.548 -33.006 6.031 1.00 0.00 N ATOM 854 CA CYS A 54 -4.858 -31.870 6.667 1.00 0.00 C ATOM 855 C CYS A 54 -5.824 -30.757 7.071 1.00 0.00 C ATOM 856 O CYS A 54 -5.854 -30.331 8.220 1.00 0.00 O ATOM 857 CB CYS A 54 -3.793 -31.373 5.670 1.00 0.00 C ATOM 858 SG CYS A 54 -3.089 -29.726 5.954 1.00 0.00 S ATOM 0 H CYS A 54 -5.096 -33.290 5.162 1.00 0.00 H new ATOM 0 HA CYS A 54 -4.390 -32.190 7.598 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -2.975 -32.093 5.665 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -4.234 -31.384 4.673 1.00 0.00 H new ATOM 0 HG CYS A 54 -2.212 -29.464 5.031 1.00 0.00 H new ATOM 864 N LYS A 55 -6.688 -30.313 6.163 1.00 0.00 N ATOM 865 CA LYS A 55 -7.670 -29.284 6.507 1.00 0.00 C ATOM 866 C LYS A 55 -8.634 -29.751 7.591 1.00 0.00 C ATOM 867 O LYS A 55 -8.851 -28.988 8.520 1.00 0.00 O ATOM 868 CB LYS A 55 -8.438 -28.821 5.282 1.00 0.00 C ATOM 869 CG LYS A 55 -7.616 -27.845 4.412 1.00 0.00 C ATOM 870 CD LYS A 55 -6.813 -28.487 3.271 1.00 0.00 C ATOM 871 CE LYS A 55 -7.755 -28.802 2.107 1.00 0.00 C ATOM 872 NZ LYS A 55 -7.027 -29.448 0.997 1.00 0.00 N ATOM 0 H LYS A 55 -6.731 -30.641 5.198 1.00 0.00 H new ATOM 0 HA LYS A 55 -7.109 -28.438 6.904 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -8.721 -29.687 4.684 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -9.361 -28.335 5.597 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -8.295 -27.108 3.984 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -6.925 -27.304 5.059 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -6.023 -27.812 2.942 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -6.329 -29.399 3.620 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -8.557 -29.456 2.450 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -8.222 -27.883 1.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -7.677 -29.605 0.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -6.246 -28.834 0.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -6.645 -30.361 1.317 1.00 0.00 H new ATOM 886 N THR A 56 -9.137 -30.984 7.516 1.00 0.00 N ATOM 887 CA THR A 56 -9.956 -31.624 8.566 1.00 0.00 C ATOM 888 C THR A 56 -9.239 -31.709 9.928 1.00 0.00 C ATOM 889 O THR A 56 -9.887 -31.892 10.957 1.00 0.00 O ATOM 890 CB THR A 56 -10.397 -33.034 8.117 1.00 0.00 C ATOM 891 OG1 THR A 56 -10.723 -33.041 6.741 1.00 0.00 O ATOM 892 CG2 THR A 56 -11.635 -33.550 8.852 1.00 0.00 C ATOM 0 H THR A 56 -8.987 -31.586 6.707 1.00 0.00 H new ATOM 0 HA THR A 56 -10.829 -30.987 8.706 1.00 0.00 H new ATOM 0 HB THR A 56 -9.547 -33.677 8.344 1.00 0.00 H new ATOM 0 HG1 THR A 56 -10.998 -33.943 6.475 1.00 0.00 H new ATOM 0 HG21 THR A 56 -11.887 -34.545 8.486 1.00 0.00 H new ATOM 0 HG22 THR A 56 -11.430 -33.598 9.921 1.00 0.00 H new ATOM 0 HG23 THR A 56 -12.472 -32.875 8.673 1.00 0.00 H new ATOM 900 N ILE A 57 -7.912 -31.535 9.939 1.00 0.00 N ATOM 901 CA ILE A 57 -7.042 -31.672 11.128 1.00 0.00 C ATOM 902 C ILE A 57 -6.651 -30.302 11.703 1.00 0.00 C ATOM 903 O ILE A 57 -7.122 -29.923 12.782 1.00 0.00 O ATOM 904 CB ILE A 57 -5.823 -32.546 10.739 1.00 0.00 C ATOM 905 CG1 ILE A 57 -6.268 -34.014 10.573 1.00 0.00 C ATOM 906 CG2 ILE A 57 -4.609 -32.480 11.686 1.00 0.00 C ATOM 907 CD1 ILE A 57 -5.287 -34.790 9.693 1.00 0.00 C ATOM 0 H ILE A 57 -7.391 -31.287 9.098 1.00 0.00 H new ATOM 0 HA ILE A 57 -7.579 -32.170 11.935 1.00 0.00 H new ATOM 0 HB ILE A 57 -5.467 -32.120 9.801 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -6.338 -34.489 11.552 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -7.264 -34.048 10.130 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -3.820 -33.132 11.312 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -4.241 -31.455 11.735 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -4.907 -32.806 12.683 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -5.625 -35.821 9.593 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -5.238 -34.327 8.707 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -4.298 -34.775 10.151 1.00 0.00 H new ATOM 919 N LEU A 58 -5.831 -29.514 10.995 1.00 0.00 N ATOM 920 CA LEU A 58 -5.310 -28.253 11.530 1.00 0.00 C ATOM 921 C LEU A 58 -6.408 -27.207 11.749 1.00 0.00 C ATOM 922 O LEU A 58 -6.219 -26.289 12.546 1.00 0.00 O ATOM 923 CB LEU A 58 -4.212 -27.682 10.627 1.00 0.00 C ATOM 924 CG LEU A 58 -3.030 -28.639 10.409 1.00 0.00 C ATOM 925 CD1 LEU A 58 -3.247 -29.651 9.298 1.00 0.00 C ATOM 926 CD2 LEU A 58 -1.804 -27.816 10.027 1.00 0.00 C ATOM 0 H LEU A 58 -5.515 -29.730 10.049 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.883 -28.487 12.505 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -4.645 -27.428 9.660 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.841 -26.755 11.063 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.910 -29.190 11.342 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.367 -30.288 9.209 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -4.117 -30.265 9.530 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -3.413 -29.128 8.356 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.955 -28.481 9.868 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.008 -27.263 9.110 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -1.572 -27.115 10.829 1.00 0.00 H new ATOM 938 N LYS A 59 -7.581 -27.405 11.128 1.00 0.00 N ATOM 939 CA LYS A 59 -8.811 -26.642 11.434 1.00 0.00 C ATOM 940 C LYS A 59 -9.116 -26.484 12.928 1.00 0.00 C ATOM 941 O LYS A 59 -9.766 -25.497 13.286 1.00 0.00 O ATOM 942 CB LYS A 59 -10.047 -27.248 10.756 1.00 0.00 C ATOM 943 CG LYS A 59 -10.492 -26.462 9.504 1.00 0.00 C ATOM 944 CD LYS A 59 -11.924 -25.902 9.585 1.00 0.00 C ATOM 945 CE LYS A 59 -12.305 -25.171 10.885 1.00 0.00 C ATOM 946 NZ LYS A 59 -11.291 -24.177 11.307 1.00 0.00 N ATOM 0 H LYS A 59 -7.708 -28.102 10.394 1.00 0.00 H new ATOM 0 HA LYS A 59 -8.599 -25.651 11.034 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -9.832 -28.279 10.474 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -10.869 -27.278 11.471 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -9.800 -25.636 9.343 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -10.418 -27.115 8.634 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -12.068 -25.214 8.752 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -12.621 -26.727 9.441 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -13.262 -24.669 10.746 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -12.442 -25.903 11.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -11.752 -23.419 11.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -10.575 -24.642 11.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -10.832 -23.771 10.467 1.00 0.00 H new ATOM 960 N ALA A 60 -8.697 -27.460 13.732 1.00 0.00 N ATOM 961 CA ALA A 60 -8.779 -27.476 15.192 1.00 0.00 C ATOM 962 C ALA A 60 -7.392 -27.535 15.874 1.00 0.00 C ATOM 963 O ALA A 60 -7.287 -27.266 17.068 1.00 0.00 O ATOM 964 CB ALA A 60 -9.655 -28.667 15.602 1.00 0.00 C ATOM 0 H ALA A 60 -8.267 -28.308 13.362 1.00 0.00 H new ATOM 0 HA ALA A 60 -9.224 -26.540 15.530 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -9.734 -28.704 16.689 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -10.649 -28.553 15.170 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -9.205 -29.591 15.239 1.00 0.00 H new ATOM 970 N LEU A 61 -6.320 -27.819 15.121 1.00 0.00 N ATOM 971 CA LEU A 61 -4.955 -27.977 15.611 1.00 0.00 C ATOM 972 C LEU A 61 -4.000 -26.911 15.033 1.00 0.00 C ATOM 973 O LEU A 61 -2.999 -27.196 14.383 1.00 0.00 O ATOM 974 CB LEU A 61 -4.526 -29.445 15.423 1.00 0.00 C ATOM 975 CG LEU A 61 -4.167 -30.128 16.763 1.00 0.00 C ATOM 976 CD1 LEU A 61 -5.387 -30.326 17.666 1.00 0.00 C ATOM 977 CD2 LEU A 61 -3.554 -31.509 16.548 1.00 0.00 C ATOM 0 H LEU A 61 -6.390 -27.949 14.112 1.00 0.00 H new ATOM 0 HA LEU A 61 -4.905 -27.779 16.682 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -5.332 -29.998 14.941 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.666 -29.487 14.755 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.454 -29.454 17.238 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -5.079 -30.809 18.593 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -5.833 -29.358 17.892 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -6.119 -30.952 17.156 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -3.316 -31.956 17.513 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -4.265 -32.144 16.020 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -2.643 -31.415 15.957 1.00 0.00 H new ATOM 989 N GLY A 62 -4.275 -25.647 15.360 1.00 0.00 N ATOM 990 CA GLY A 62 -3.381 -24.511 15.096 1.00 0.00 C ATOM 991 C GLY A 62 -2.771 -23.863 16.351 1.00 0.00 C ATOM 992 O GLY A 62 -2.869 -22.636 16.467 1.00 0.00 O ATOM 0 H GLY A 62 -5.141 -25.376 15.825 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -2.571 -24.847 14.448 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -3.935 -23.751 14.545 1.00 0.00 H new ATOM 996 N PRO A 63 -2.135 -24.607 17.287 1.00 0.00 N ATOM 997 CA PRO A 63 -1.571 -24.077 18.538 1.00 0.00 C ATOM 998 C PRO A 63 -0.252 -23.298 18.342 1.00 0.00 C ATOM 999 O PRO A 63 0.631 -23.331 19.188 1.00 0.00 O ATOM 1000 CB PRO A 63 -1.396 -25.317 19.429 1.00 0.00 C ATOM 1001 CG PRO A 63 -0.973 -26.378 18.418 1.00 0.00 C ATOM 1002 CD PRO A 63 -1.871 -26.045 17.229 1.00 0.00 C ATOM 0 HA PRO A 63 -2.229 -23.332 18.985 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -0.640 -25.163 20.199 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -2.321 -25.586 19.940 1.00 0.00 H new ATOM 0 HG2 PRO A 63 0.085 -26.305 18.166 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -1.143 -27.389 18.789 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -1.384 -26.311 16.291 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -2.801 -26.611 17.277 1.00 0.00 H new ATOM 1010 N ALA A 64 -0.092 -22.638 17.193 1.00 0.00 N ATOM 1011 CA ALA A 64 1.093 -21.872 16.775 1.00 0.00 C ATOM 1012 C ALA A 64 2.455 -22.618 16.749 1.00 0.00 C ATOM 1013 O ALA A 64 3.453 -21.982 16.438 1.00 0.00 O ATOM 1014 CB ALA A 64 1.144 -20.563 17.582 1.00 0.00 C ATOM 0 H ALA A 64 -0.827 -22.620 16.485 1.00 0.00 H new ATOM 0 HA ALA A 64 0.952 -21.671 15.713 1.00 0.00 H new ATOM 0 HB1 ALA A 64 2.018 -19.985 17.282 1.00 0.00 H new ATOM 0 HB2 ALA A 64 0.242 -19.982 17.391 1.00 0.00 H new ATOM 0 HB3 ALA A 64 1.209 -20.793 18.645 1.00 0.00 H new ATOM 1020 N ALA A 65 2.488 -23.936 16.994 1.00 0.00 N ATOM 1021 CA ALA A 65 3.698 -24.772 16.928 1.00 0.00 C ATOM 1022 C ALA A 65 3.447 -26.065 16.139 1.00 0.00 C ATOM 1023 O ALA A 65 3.820 -26.126 14.979 1.00 0.00 O ATOM 1024 CB ALA A 65 4.201 -25.028 18.356 1.00 0.00 C ATOM 0 H ALA A 65 1.654 -24.464 17.250 1.00 0.00 H new ATOM 0 HA ALA A 65 4.480 -24.247 16.380 1.00 0.00 H new ATOM 0 HB1 ALA A 65 5.098 -25.647 18.320 1.00 0.00 H new ATOM 0 HB2 ALA A 65 4.435 -24.077 18.835 1.00 0.00 H new ATOM 0 HB3 ALA A 65 3.428 -25.542 18.927 1.00 0.00 H new ATOM 1030 N THR A 66 2.693 -27.039 16.667 1.00 0.00 N ATOM 1031 CA THR A 66 2.452 -28.367 16.044 1.00 0.00 C ATOM 1032 C THR A 66 2.121 -28.365 14.540 1.00 0.00 C ATOM 1033 O THR A 66 2.443 -29.311 13.839 1.00 0.00 O ATOM 1034 CB THR A 66 1.338 -29.110 16.802 1.00 0.00 C ATOM 1035 OG1 THR A 66 1.500 -28.943 18.196 1.00 0.00 O ATOM 1036 CG2 THR A 66 1.311 -30.613 16.539 1.00 0.00 C ATOM 0 H THR A 66 2.217 -26.932 17.563 1.00 0.00 H new ATOM 0 HA THR A 66 3.412 -28.876 16.124 1.00 0.00 H new ATOM 0 HB THR A 66 0.407 -28.675 16.438 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.785 -29.419 18.668 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.500 -31.067 17.108 1.00 0.00 H new ATOM 0 HG22 THR A 66 1.154 -30.794 15.476 1.00 0.00 H new ATOM 0 HG23 THR A 66 2.260 -31.053 16.846 1.00 0.00 H new ATOM 1044 N LEU A 67 1.536 -27.294 14.001 1.00 0.00 N ATOM 1045 CA LEU A 67 1.367 -27.081 12.554 1.00 0.00 C ATOM 1046 C LEU A 67 2.604 -27.467 11.727 1.00 0.00 C ATOM 1047 O LEU A 67 2.462 -28.110 10.696 1.00 0.00 O ATOM 1048 CB LEU A 67 1.042 -25.599 12.368 1.00 0.00 C ATOM 1049 CG LEU A 67 0.522 -25.084 11.002 1.00 0.00 C ATOM 1050 CD1 LEU A 67 0.861 -23.599 10.914 1.00 0.00 C ATOM 1051 CD2 LEU A 67 1.100 -25.783 9.792 1.00 0.00 C ATOM 0 H LEU A 67 1.158 -26.533 14.565 1.00 0.00 H new ATOM 0 HA LEU A 67 0.569 -27.728 12.189 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.298 -25.334 13.119 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.946 -25.037 12.603 1.00 0.00 H new ATOM 0 HG LEU A 67 -0.548 -25.288 10.975 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.509 -23.201 9.962 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.376 -23.066 11.732 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.941 -23.467 10.985 1.00 0.00 H new ATOM 0 HD21 LEU A 67 0.675 -25.352 8.885 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.183 -25.656 9.781 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.860 -26.845 9.836 1.00 0.00 H new ATOM 1063 N GLU A 68 3.801 -27.089 12.160 1.00 0.00 N ATOM 1064 CA GLU A 68 5.068 -27.453 11.505 1.00 0.00 C ATOM 1065 C GLU A 68 5.132 -28.917 11.038 1.00 0.00 C ATOM 1066 O GLU A 68 5.501 -29.194 9.895 1.00 0.00 O ATOM 1067 CB GLU A 68 6.229 -27.201 12.485 1.00 0.00 C ATOM 1068 CG GLU A 68 6.343 -25.736 12.876 1.00 0.00 C ATOM 1069 CD GLU A 68 7.491 -25.503 13.872 1.00 0.00 C ATOM 1070 OE1 GLU A 68 7.261 -25.732 15.084 1.00 0.00 O ATOM 1071 OE2 GLU A 68 8.593 -25.116 13.425 1.00 0.00 O ATOM 0 H GLU A 68 3.929 -26.511 12.990 1.00 0.00 H new ATOM 0 HA GLU A 68 5.143 -26.832 10.612 1.00 0.00 H new ATOM 0 HB2 GLU A 68 6.083 -27.804 13.381 1.00 0.00 H new ATOM 0 HB3 GLU A 68 7.164 -27.528 12.030 1.00 0.00 H new ATOM 0 HG2 GLU A 68 6.507 -25.132 11.983 1.00 0.00 H new ATOM 0 HG3 GLU A 68 5.404 -25.403 13.318 1.00 0.00 H new ATOM 1078 N GLU A 69 4.694 -29.848 11.890 1.00 0.00 N ATOM 1079 CA GLU A 69 4.503 -31.247 11.458 1.00 0.00 C ATOM 1080 C GLU A 69 3.306 -31.429 10.517 1.00 0.00 C ATOM 1081 O GLU A 69 3.416 -32.090 9.486 1.00 0.00 O ATOM 1082 CB GLU A 69 4.415 -32.241 12.635 1.00 0.00 C ATOM 1083 CG GLU A 69 3.224 -32.102 13.599 1.00 0.00 C ATOM 1084 CD GLU A 69 2.756 -33.435 14.189 1.00 0.00 C ATOM 1085 OE1 GLU A 69 3.521 -34.009 14.995 1.00 0.00 O ATOM 1086 OE2 GLU A 69 1.617 -33.840 13.855 1.00 0.00 O ATOM 0 H GLU A 69 4.467 -29.669 12.868 1.00 0.00 H new ATOM 0 HA GLU A 69 5.406 -31.482 10.895 1.00 0.00 H new ATOM 0 HB2 GLU A 69 4.397 -33.250 12.222 1.00 0.00 H new ATOM 0 HB3 GLU A 69 5.331 -32.152 13.219 1.00 0.00 H new ATOM 0 HG2 GLU A 69 3.502 -31.431 14.412 1.00 0.00 H new ATOM 0 HG3 GLU A 69 2.392 -31.636 13.071 1.00 0.00 H new ATOM 1093 N MET A 70 2.172 -30.805 10.835 1.00 0.00 N ATOM 1094 CA MET A 70 0.882 -30.995 10.157 1.00 0.00 C ATOM 1095 C MET A 70 0.822 -30.468 8.714 1.00 0.00 C ATOM 1096 O MET A 70 0.062 -30.966 7.882 1.00 0.00 O ATOM 1097 CB MET A 70 -0.225 -30.437 11.034 1.00 0.00 C ATOM 1098 CG MET A 70 -0.161 -30.816 12.499 1.00 0.00 C ATOM 1099 SD MET A 70 -1.758 -31.057 13.305 1.00 0.00 S ATOM 1100 CE MET A 70 -1.565 -32.801 13.774 1.00 0.00 C ATOM 0 H MET A 70 2.120 -30.129 11.597 1.00 0.00 H new ATOM 0 HA MET A 70 0.742 -32.068 10.029 1.00 0.00 H new ATOM 0 HB2 MET A 70 -0.209 -29.350 10.959 1.00 0.00 H new ATOM 0 HB3 MET A 70 -1.182 -30.770 10.634 1.00 0.00 H new ATOM 0 HG2 MET A 70 0.418 -31.735 12.595 1.00 0.00 H new ATOM 0 HG3 MET A 70 0.384 -30.039 13.035 1.00 0.00 H new ATOM 0 HE1 MET A 70 -2.469 -33.145 14.276 1.00 0.00 H new ATOM 0 HE2 MET A 70 -1.395 -33.401 12.880 1.00 0.00 H new ATOM 0 HE3 MET A 70 -0.714 -32.905 14.448 1.00 0.00 H new ATOM 1110 N MET A 71 1.675 -29.494 8.403 1.00 0.00 N ATOM 1111 CA MET A 71 1.996 -28.985 7.069 1.00 0.00 C ATOM 1112 C MET A 71 2.571 -30.109 6.195 1.00 0.00 C ATOM 1113 O MET A 71 2.082 -30.344 5.093 1.00 0.00 O ATOM 1114 CB MET A 71 2.964 -27.791 7.232 1.00 0.00 C ATOM 1115 CG MET A 71 3.786 -27.458 5.982 1.00 0.00 C ATOM 1116 SD MET A 71 5.334 -28.393 5.835 1.00 0.00 S ATOM 1117 CE MET A 71 5.570 -28.396 4.044 1.00 0.00 C ATOM 0 H MET A 71 2.198 -29.004 9.128 1.00 0.00 H new ATOM 0 HA MET A 71 1.101 -28.633 6.556 1.00 0.00 H new ATOM 0 HB2 MET A 71 2.388 -26.910 7.517 1.00 0.00 H new ATOM 0 HB3 MET A 71 3.648 -28.005 8.054 1.00 0.00 H new ATOM 0 HG2 MET A 71 3.176 -27.647 5.099 1.00 0.00 H new ATOM 0 HG3 MET A 71 4.018 -26.393 5.987 1.00 0.00 H new ATOM 0 HE1 MET A 71 6.598 -28.674 3.813 1.00 0.00 H new ATOM 0 HE2 MET A 71 4.889 -29.115 3.588 1.00 0.00 H new ATOM 0 HE3 MET A 71 5.365 -27.401 3.648 1.00 0.00 H new ATOM 1127 N THR A 72 3.554 -30.849 6.706 1.00 0.00 N ATOM 1128 CA THR A 72 4.116 -32.035 6.039 1.00 0.00 C ATOM 1129 C THR A 72 3.146 -33.211 6.069 1.00 0.00 C ATOM 1130 O THR A 72 3.020 -33.919 5.076 1.00 0.00 O ATOM 1131 CB THR A 72 5.396 -32.495 6.747 1.00 0.00 C ATOM 1132 OG1 THR A 72 6.324 -31.440 6.893 1.00 0.00 O ATOM 1133 CG2 THR A 72 6.131 -33.598 5.983 1.00 0.00 C ATOM 0 H THR A 72 3.991 -30.644 7.605 1.00 0.00 H new ATOM 0 HA THR A 72 4.318 -31.742 5.009 1.00 0.00 H new ATOM 0 HB THR A 72 5.055 -32.863 7.715 1.00 0.00 H new ATOM 0 HG1 THR A 72 5.970 -30.631 6.467 1.00 0.00 H new ATOM 0 HG21 THR A 72 7.029 -33.884 6.531 1.00 0.00 H new ATOM 0 HG22 THR A 72 5.478 -34.465 5.878 1.00 0.00 H new ATOM 0 HG23 THR A 72 6.410 -33.232 4.995 1.00 0.00 H new ATOM 1141 N ALA A 73 2.446 -33.424 7.188 1.00 0.00 N ATOM 1142 CA ALA A 73 1.624 -34.618 7.440 1.00 0.00 C ATOM 1143 C ALA A 73 0.501 -34.838 6.409 1.00 0.00 C ATOM 1144 O ALA A 73 -0.019 -35.941 6.275 1.00 0.00 O ATOM 1145 CB ALA A 73 1.047 -34.552 8.857 1.00 0.00 C ATOM 0 H ALA A 73 2.433 -32.759 7.961 1.00 0.00 H new ATOM 0 HA ALA A 73 2.285 -35.478 7.338 1.00 0.00 H new ATOM 0 HB1 ALA A 73 0.438 -35.437 9.043 1.00 0.00 H new ATOM 0 HB2 ALA A 73 1.862 -34.513 9.580 1.00 0.00 H new ATOM 0 HB3 ALA A 73 0.430 -33.659 8.957 1.00 0.00 H new ATOM 1151 N CYS A 74 0.155 -33.798 5.648 1.00 0.00 N ATOM 1152 CA CYS A 74 -0.726 -33.898 4.488 1.00 0.00 C ATOM 1153 C CYS A 74 -0.191 -34.775 3.329 1.00 0.00 C ATOM 1154 O CYS A 74 -0.958 -35.212 2.474 1.00 0.00 O ATOM 1155 CB CYS A 74 -1.027 -32.460 4.039 1.00 0.00 C ATOM 1156 SG CYS A 74 0.262 -31.754 2.969 1.00 0.00 S ATOM 0 H CYS A 74 0.485 -32.849 5.825 1.00 0.00 H new ATOM 0 HA CYS A 74 -1.633 -34.426 4.784 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -1.979 -32.445 3.508 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -1.144 -31.829 4.920 1.00 0.00 H new ATOM 0 HG CYS A 74 1.127 -31.113 3.697 1.00 0.00 H new ATOM 1162 N GLN A 75 1.119 -35.021 3.259 1.00 0.00 N ATOM 1163 CA GLN A 75 1.746 -35.672 2.110 1.00 0.00 C ATOM 1164 C GLN A 75 1.674 -37.203 2.234 1.00 0.00 C ATOM 1165 O GLN A 75 1.976 -37.768 3.285 1.00 0.00 O ATOM 1166 CB GLN A 75 3.180 -35.126 1.955 1.00 0.00 C ATOM 1167 CG GLN A 75 4.219 -35.738 2.909 1.00 0.00 C ATOM 1168 CD GLN A 75 5.028 -36.861 2.267 1.00 0.00 C ATOM 1169 OE1 GLN A 75 5.987 -36.645 1.545 1.00 0.00 O ATOM 1170 NE2 GLN A 75 4.666 -38.103 2.500 1.00 0.00 N ATOM 0 H GLN A 75 1.775 -34.773 4.000 1.00 0.00 H new ATOM 0 HA GLN A 75 1.203 -35.437 1.194 1.00 0.00 H new ATOM 0 HB2 GLN A 75 3.508 -35.296 0.929 1.00 0.00 H new ATOM 0 HB3 GLN A 75 3.160 -34.047 2.109 1.00 0.00 H new ATOM 0 HG2 GLN A 75 4.898 -34.956 3.248 1.00 0.00 H new ATOM 0 HG3 GLN A 75 3.710 -36.123 3.793 1.00 0.00 H new ATOM 0 HE21 GLN A 75 3.866 -38.297 3.102 1.00 0.00 H new ATOM 0 HE22 GLN A 75 5.185 -38.873 2.079 1.00 0.00 H new ATOM 1179 N GLY A 76 1.327 -37.908 1.151 1.00 0.00 N ATOM 1180 CA GLY A 76 1.243 -39.380 1.150 1.00 0.00 C ATOM 1181 C GLY A 76 0.238 -39.969 2.156 1.00 0.00 C ATOM 1182 O GLY A 76 0.329 -41.145 2.495 1.00 0.00 O ATOM 0 H GLY A 76 1.097 -37.481 0.254 1.00 0.00 H new ATOM 0 HA2 GLY A 76 0.971 -39.714 0.149 1.00 0.00 H new ATOM 0 HA3 GLY A 76 2.231 -39.787 1.365 1.00 0.00 H new ATOM 1186 N VAL A 77 -0.717 -39.160 2.617 1.00 0.00 N ATOM 1187 CA VAL A 77 -1.774 -39.480 3.560 1.00 0.00 C ATOM 1188 C VAL A 77 -3.075 -39.062 2.895 1.00 0.00 C ATOM 1189 O VAL A 77 -3.206 -37.969 2.352 1.00 0.00 O ATOM 1190 CB VAL A 77 -1.589 -38.715 4.890 1.00 0.00 C ATOM 1191 CG1 VAL A 77 -2.773 -38.931 5.847 1.00 0.00 C ATOM 1192 CG2 VAL A 77 -0.330 -39.196 5.622 1.00 0.00 C ATOM 0 H VAL A 77 -0.770 -38.188 2.312 1.00 0.00 H new ATOM 0 HA VAL A 77 -1.765 -40.543 3.803 1.00 0.00 H new ATOM 0 HB VAL A 77 -1.513 -37.661 4.624 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -2.602 -38.376 6.769 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -3.691 -38.578 5.376 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -2.867 -39.993 6.075 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -0.219 -38.644 6.556 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -0.419 -40.261 5.838 1.00 0.00 H new ATOM 0 HG23 VAL A 77 0.544 -39.025 4.993 1.00 0.00 H new ATOM 1202 N GLY A 78 -4.023 -39.973 2.917 1.00 0.00 N ATOM 1203 CA GLY A 78 -5.431 -39.751 2.565 1.00 0.00 C ATOM 1204 C GLY A 78 -5.949 -40.613 1.413 1.00 0.00 C ATOM 1205 O GLY A 78 -5.221 -41.413 0.832 1.00 0.00 O ATOM 0 H GLY A 78 -3.837 -40.937 3.192 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -6.045 -39.940 3.446 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -5.564 -38.701 2.303 1.00 0.00 H new ATOM 1209 N GLY A 79 -7.227 -40.438 1.059 1.00 0.00 N ATOM 1210 CA GLY A 79 -7.816 -41.025 -0.156 1.00 0.00 C ATOM 1211 C GLY A 79 -7.894 -42.564 -0.163 1.00 0.00 C ATOM 1212 O GLY A 79 -7.140 -43.189 -0.906 1.00 0.00 O ATOM 0 H GLY A 79 -7.886 -39.884 1.606 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -8.822 -40.625 -0.284 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -7.232 -40.702 -1.018 1.00 0.00 H new ATOM 1216 N PRO A 80 -8.783 -43.196 0.635 1.00 0.00 N ATOM 1217 CA PRO A 80 -8.884 -44.656 0.797 1.00 0.00 C ATOM 1218 C PRO A 80 -9.283 -45.409 -0.492 1.00 0.00 C ATOM 1219 O PRO A 80 -10.436 -45.806 -0.700 1.00 0.00 O ATOM 1220 CB PRO A 80 -9.845 -44.875 1.975 1.00 0.00 C ATOM 1221 CG PRO A 80 -10.720 -43.624 1.957 1.00 0.00 C ATOM 1222 CD PRO A 80 -9.747 -42.536 1.506 1.00 0.00 C ATOM 0 HA PRO A 80 -7.907 -45.090 1.009 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -10.437 -45.781 1.847 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -9.308 -44.976 2.918 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -11.559 -43.727 1.269 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -11.139 -43.409 2.940 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -10.270 -41.740 0.977 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -9.250 -42.078 2.361 1.00 0.00 H new ATOM 1230 N GLY A 81 -8.309 -45.595 -1.384 1.00 0.00 N ATOM 1231 CA GLY A 81 -8.457 -46.222 -2.697 1.00 0.00 C ATOM 1232 C GLY A 81 -9.020 -45.280 -3.764 1.00 0.00 C ATOM 1233 O GLY A 81 -9.741 -44.319 -3.475 1.00 0.00 O ATOM 0 H GLY A 81 -7.350 -45.298 -1.201 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -7.486 -46.591 -3.026 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -9.113 -47.088 -2.605 1.00 0.00 H new ATOM 1237 N HIS A 82 -8.756 -45.634 -5.021 1.00 0.00 N ATOM 1238 CA HIS A 82 -9.363 -45.036 -6.216 1.00 0.00 C ATOM 1239 C HIS A 82 -10.898 -44.966 -6.128 1.00 0.00 C ATOM 1240 O HIS A 82 -11.555 -45.823 -5.523 1.00 0.00 O ATOM 1241 CB HIS A 82 -8.906 -45.834 -7.448 1.00 0.00 C ATOM 1242 CG HIS A 82 -8.829 -47.326 -7.216 1.00 0.00 C ATOM 1243 ND1 HIS A 82 -7.650 -48.066 -7.233 1.00 0.00 N ATOM 1244 CD2 HIS A 82 -9.845 -48.132 -6.797 1.00 0.00 C ATOM 1245 CE1 HIS A 82 -7.989 -49.316 -6.886 1.00 0.00 C ATOM 1246 NE2 HIS A 82 -9.301 -49.386 -6.613 1.00 0.00 N ATOM 0 H HIS A 82 -8.089 -46.372 -5.247 1.00 0.00 H new ATOM 0 HA HIS A 82 -9.027 -44.002 -6.298 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -9.594 -45.639 -8.271 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -7.926 -45.473 -7.759 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -10.874 -47.845 -6.640 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -7.303 -50.149 -6.834 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -9.808 -50.221 -6.320 1.00 0.00 H new ATOM 1254 N LYS A 83 -11.474 -43.890 -6.675 1.00 0.00 N ATOM 1255 CA LYS A 83 -12.904 -43.567 -6.607 1.00 0.00 C ATOM 1256 C LYS A 83 -13.240 -42.384 -7.523 1.00 0.00 C ATOM 1257 O LYS A 83 -12.355 -41.595 -7.852 1.00 0.00 O ATOM 1258 CB LYS A 83 -13.209 -43.204 -5.142 1.00 0.00 C ATOM 1259 CG LYS A 83 -14.335 -44.062 -4.545 1.00 0.00 C ATOM 1260 CD LYS A 83 -14.345 -44.003 -3.007 1.00 0.00 C ATOM 1261 CE LYS A 83 -13.617 -45.172 -2.317 1.00 0.00 C ATOM 1262 NZ LYS A 83 -12.219 -45.371 -2.776 1.00 0.00 N ATOM 0 H LYS A 83 -10.939 -43.195 -7.196 1.00 0.00 H new ATOM 0 HA LYS A 83 -13.504 -44.415 -6.938 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -12.306 -43.329 -4.545 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -13.488 -42.152 -5.082 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -15.296 -43.718 -4.928 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -14.214 -45.096 -4.868 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -13.885 -43.067 -2.689 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -15.379 -43.983 -2.664 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -13.614 -44.999 -1.241 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -14.179 -46.089 -2.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -11.714 -45.976 -2.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -12.222 -45.826 -3.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -11.741 -44.450 -2.841 1.00 0.00 H new ATOM 1276 N ALA A 84 -14.515 -42.241 -7.887 1.00 0.00 N ATOM 1277 CA ALA A 84 -15.023 -41.044 -8.562 1.00 0.00 C ATOM 1278 C ALA A 84 -14.871 -39.787 -7.677 1.00 0.00 C ATOM 1279 O ALA A 84 -14.756 -39.888 -6.453 1.00 0.00 O ATOM 1280 CB ALA A 84 -16.485 -41.292 -8.952 1.00 0.00 C ATOM 0 H ALA A 84 -15.227 -42.953 -7.722 1.00 0.00 H new ATOM 0 HA ALA A 84 -14.437 -40.854 -9.461 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -16.881 -40.411 -9.456 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -16.542 -42.150 -9.622 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -17.072 -41.492 -8.055 1.00 0.00 H new ATOM 1286 N ARG A 85 -14.884 -38.600 -8.293 1.00 0.00 N ATOM 1287 CA ARG A 85 -14.717 -37.301 -7.621 1.00 0.00 C ATOM 1288 C ARG A 85 -15.531 -36.201 -8.302 1.00 0.00 C ATOM 1289 O ARG A 85 -16.004 -36.363 -9.422 1.00 0.00 O ATOM 1290 CB ARG A 85 -13.231 -36.898 -7.594 1.00 0.00 C ATOM 1291 CG ARG A 85 -12.448 -37.697 -6.546 1.00 0.00 C ATOM 1292 CD ARG A 85 -11.067 -37.088 -6.309 1.00 0.00 C ATOM 1293 NE ARG A 85 -11.116 -35.823 -5.537 1.00 0.00 N ATOM 1294 CZ ARG A 85 -10.144 -35.341 -4.782 1.00 0.00 C ATOM 1295 NH1 ARG A 85 -8.958 -35.881 -4.751 1.00 0.00 N ATOM 1296 NH2 ARG A 85 -10.333 -34.309 -4.011 1.00 0.00 N ATOM 0 H ARG A 85 -15.014 -38.511 -9.301 1.00 0.00 H new ATOM 0 HA ARG A 85 -15.085 -37.415 -6.601 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -12.792 -37.060 -8.578 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -13.146 -35.833 -7.378 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -13.005 -37.718 -5.609 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -12.341 -38.730 -6.877 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -10.445 -37.808 -5.777 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -10.588 -36.902 -7.270 1.00 0.00 H new ATOM 0 HE ARG A 85 -11.975 -35.277 -5.594 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -8.756 -36.702 -5.321 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -8.231 -35.482 -4.156 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -11.246 -33.855 -3.981 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -9.568 -33.954 -3.437 1.00 0.00 H new ATOM 1310 N VAL A 86 -15.609 -35.074 -7.607 1.00 0.00 N ATOM 1311 CA VAL A 86 -16.087 -33.766 -8.061 1.00 0.00 C ATOM 1312 C VAL A 86 -15.107 -32.716 -7.504 1.00 0.00 C ATOM 1313 O VAL A 86 -14.179 -33.080 -6.763 1.00 0.00 O ATOM 1314 CB VAL A 86 -17.561 -33.557 -7.645 1.00 0.00 C ATOM 1315 CG1 VAL A 86 -17.745 -33.297 -6.145 1.00 0.00 C ATOM 1316 CG2 VAL A 86 -18.265 -32.453 -8.444 1.00 0.00 C ATOM 0 H VAL A 86 -15.317 -35.044 -6.630 1.00 0.00 H new ATOM 0 HA VAL A 86 -16.097 -33.678 -9.147 1.00 0.00 H new ATOM 0 HB VAL A 86 -18.034 -34.510 -7.883 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -18.804 -33.160 -5.927 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -17.365 -34.148 -5.579 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -17.197 -32.399 -5.862 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -19.296 -32.358 -8.103 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -17.744 -31.507 -8.294 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -18.256 -32.709 -9.504 1.00 0.00 H new ATOM 1326 N LEU A 87 -15.294 -31.452 -7.876 1.00 0.00 N ATOM 1327 CA LEU A 87 -14.522 -30.276 -7.477 1.00 0.00 C ATOM 1328 C LEU A 87 -15.526 -29.154 -7.191 1.00 0.00 C ATOM 1329 O LEU A 87 -15.368 -28.510 -6.132 1.00 0.00 O ATOM 1330 CB LEU A 87 -13.519 -29.964 -8.616 1.00 0.00 C ATOM 1331 CG LEU A 87 -12.482 -28.861 -8.330 1.00 0.00 C ATOM 1332 CD1 LEU A 87 -11.369 -28.958 -9.376 1.00 0.00 C ATOM 1333 CD2 LEU A 87 -13.036 -27.439 -8.404 1.00 0.00 C ATOM 1334 OXT LEU A 87 -16.458 -29.025 -8.015 1.00 0.00 O ATOM 0 H LEU A 87 -16.049 -31.203 -8.515 1.00 0.00 H new ATOM 0 HA LEU A 87 -13.932 -30.418 -6.572 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -12.984 -30.881 -8.861 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -14.086 -29.679 -9.502 1.00 0.00 H new ATOM 0 HG LEU A 87 -12.139 -29.029 -7.309 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -10.625 -28.184 -9.189 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -10.896 -29.938 -9.314 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -11.792 -28.821 -10.371 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -12.239 -26.727 -8.190 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -13.430 -27.253 -9.403 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -13.835 -27.321 -7.672 1.00 0.00 H new TER 1346 LEU A 87