USER MOD reduce.3.24.130724 H: found=0, std=0, add=745, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 744 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 40 LYS NZ :NH3+ -167:sc= 0 (180deg=0) USER MOD Set 1.2: A 117 GLN : amide:sc= -4.35! C(o=-4.3!,f=-4.3!) USER MOD Single : A 10 HIS : no HD1:sc= -2.98! C(o=-3!,f=-7.2!) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 HIS : no HD1:sc= -0.218 X(o=-0.22,f=-0.51) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl -110:sc= -5.16! (180deg=-12.9!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 158:sc= 0.0358 USER MOD Single : A 48 LYS NZ :NH3+ -105:sc= 0.401 (180deg=0.00762) USER MOD Single : A 50 GLN : amide:sc=-0.00378 X(o=-0.0038,f=0) USER MOD Single : A 51 LYS NZ :NH3+ 173:sc= 0.319 (180deg=0.151) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 139:sc= -0.0878 (180deg=-2.06!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -0.648 K(o=-0.65,f=-2.1) USER MOD Single : A 60 THR OG1 : rot -160:sc= -0.196 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 ASN :FLIP amide:sc= 0 F(o=-0.5,f=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 HIS :FLIP no HD1:sc= -0.236 F(o=-1,f=-0.24) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= -1.27 K(o=-1.3,f=-7.1!) USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 HIS : no HE2:sc= -0.553! C(o=-0.55!,f=-4.9!) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 MET CE :methyl -179:sc= 0 (180deg=-0.0011) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 GLN : amide:sc= -0.132 X(o=-0.13,f=0) USER MOD Single : A 112 THR OG1 : rot -61:sc= -0.81! USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 SER OG : rot 180:sc= -4.2! USER MOD ----------------------------------------------------------------- ATOM 88 N HIS A 10 -5.548 6.188 -15.053 1.00 0.00 N ATOM 89 CA HIS A 10 -4.812 6.282 -16.324 1.00 0.00 C ATOM 90 C HIS A 10 -4.539 4.927 -16.933 1.00 0.00 C ATOM 91 O HIS A 10 -4.506 3.884 -16.275 1.00 0.00 O ATOM 92 CB HIS A 10 -3.492 7.001 -16.004 1.00 0.00 C ATOM 93 CG HIS A 10 -3.500 8.432 -16.469 1.00 0.00 C ATOM 94 ND1 HIS A 10 -2.863 9.497 -15.838 1.00 0.00 N ATOM 95 CD2 HIS A 10 -4.167 8.843 -17.614 1.00 0.00 C ATOM 96 CE1 HIS A 10 -3.200 10.495 -16.677 1.00 0.00 C ATOM 97 NE2 HIS A 10 -3.974 10.193 -17.755 1.00 0.00 N ATOM 0 HA HIS A 10 -5.406 6.825 -17.060 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -3.314 6.971 -14.929 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -2.666 6.471 -16.479 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -4.738 8.211 -18.278 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -2.866 11.506 -16.499 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -4.323 10.815 -18.484 1.00 0.00 H new ATOM 105 N GLU A 11 -4.359 4.924 -18.248 1.00 0.00 N ATOM 106 CA GLU A 11 -3.959 3.714 -18.959 1.00 0.00 C ATOM 107 C GLU A 11 -3.061 4.035 -20.132 1.00 0.00 C ATOM 108 O GLU A 11 -3.411 4.803 -21.034 1.00 0.00 O ATOM 109 CB GLU A 11 -5.242 2.970 -19.425 1.00 0.00 C ATOM 110 CG GLU A 11 -5.836 3.370 -20.816 1.00 0.00 C ATOM 111 CD GLU A 11 -7.183 2.773 -21.233 1.00 0.00 C ATOM 112 OE1 GLU A 11 -7.496 1.613 -21.005 1.00 0.00 O ATOM 113 OE2 GLU A 11 -7.996 3.653 -21.881 1.00 0.00 O ATOM 0 H GLU A 11 -4.483 5.743 -18.843 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.384 3.074 -18.290 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -5.025 1.902 -19.445 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -6.014 3.124 -18.671 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -5.934 4.455 -20.835 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -5.104 3.103 -21.578 1.00 0.00 H new ATOM 120 N GLY A 12 -1.889 3.429 -20.141 1.00 0.00 N ATOM 121 CA GLY A 12 -0.963 3.512 -21.267 1.00 0.00 C ATOM 122 C GLY A 12 -0.064 2.295 -21.297 1.00 0.00 C ATOM 123 O GLY A 12 -0.526 1.149 -21.213 1.00 0.00 O ATOM 0 H GLY A 12 -1.546 2.861 -19.366 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -1.521 3.584 -22.201 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -0.360 4.416 -21.185 1.00 0.00 H new ATOM 127 N TYR A 13 1.232 2.517 -21.392 1.00 0.00 N ATOM 128 CA TYR A 13 2.206 1.433 -21.279 1.00 0.00 C ATOM 129 C TYR A 13 3.502 1.937 -20.690 1.00 0.00 C ATOM 130 O TYR A 13 4.236 2.725 -21.297 1.00 0.00 O ATOM 131 CB TYR A 13 2.521 0.805 -22.669 1.00 0.00 C ATOM 132 CG TYR A 13 2.651 1.759 -23.861 1.00 0.00 C ATOM 133 CD1 TYR A 13 1.566 2.558 -24.235 1.00 0.00 C ATOM 134 CD2 TYR A 13 3.843 1.832 -24.589 1.00 0.00 C ATOM 135 CE1 TYR A 13 1.652 3.378 -25.356 1.00 0.00 C ATOM 136 CE2 TYR A 13 3.927 2.653 -25.711 1.00 0.00 C ATOM 137 CZ TYR A 13 2.828 3.413 -26.102 1.00 0.00 C ATOM 138 OH TYR A 13 2.906 4.196 -27.219 1.00 0.00 O ATOM 0 H TYR A 13 1.642 3.438 -21.547 1.00 0.00 H new ATOM 0 HA TYR A 13 1.764 0.679 -20.628 1.00 0.00 H new ATOM 0 HB2 TYR A 13 3.452 0.245 -22.582 1.00 0.00 H new ATOM 0 HB3 TYR A 13 1.736 0.084 -22.899 1.00 0.00 H new ATOM 0 HD1 TYR A 13 0.657 2.539 -23.651 1.00 0.00 H new ATOM 0 HD2 TYR A 13 4.700 1.251 -24.281 1.00 0.00 H new ATOM 0 HE1 TYR A 13 0.808 3.986 -25.647 1.00 0.00 H new ATOM 0 HE2 TYR A 13 4.845 2.700 -26.278 1.00 0.00 H new ATOM 0 HH TYR A 13 3.795 4.105 -27.621 1.00 0.00 H new ATOM 148 N VAL A 14 3.793 1.503 -19.477 1.00 0.00 N ATOM 149 CA VAL A 14 4.938 2.015 -18.729 1.00 0.00 C ATOM 150 C VAL A 14 5.616 0.914 -17.948 1.00 0.00 C ATOM 151 O VAL A 14 5.279 -0.269 -18.058 1.00 0.00 O ATOM 152 CB VAL A 14 4.473 3.172 -17.758 1.00 0.00 C ATOM 153 CG1 VAL A 14 3.970 4.477 -18.433 1.00 0.00 C ATOM 154 CG2 VAL A 14 3.346 2.760 -16.781 1.00 0.00 C ATOM 0 H VAL A 14 3.252 0.794 -18.983 1.00 0.00 H new ATOM 0 HA VAL A 14 5.661 2.414 -19.440 1.00 0.00 H new ATOM 0 HB VAL A 14 5.412 3.368 -17.241 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.679 5.195 -17.666 1.00 0.00 H new ATOM 0 HG12 VAL A 14 4.767 4.901 -19.044 1.00 0.00 H new ATOM 0 HG13 VAL A 14 3.110 4.252 -19.064 1.00 0.00 H new ATOM 0 HG21 VAL A 14 3.084 3.609 -16.149 1.00 0.00 H new ATOM 0 HG22 VAL A 14 2.470 2.445 -17.348 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.689 1.935 -16.156 1.00 0.00 H new ATOM 164 N THR A 15 6.573 1.302 -17.123 1.00 0.00 N ATOM 165 CA THR A 15 7.210 0.366 -16.200 1.00 0.00 C ATOM 166 C THR A 15 6.695 0.569 -14.794 1.00 0.00 C ATOM 167 O THR A 15 6.980 1.574 -14.134 1.00 0.00 O ATOM 168 CB THR A 15 8.769 0.507 -16.253 1.00 0.00 C ATOM 169 OG1 THR A 15 9.254 0.174 -17.548 1.00 0.00 O ATOM 170 CG2 THR A 15 9.572 -0.397 -15.294 1.00 0.00 C ATOM 0 H THR A 15 6.929 2.256 -17.070 1.00 0.00 H new ATOM 0 HA THR A 15 6.954 -0.647 -16.510 1.00 0.00 H new ATOM 0 HB THR A 15 8.922 1.546 -15.962 1.00 0.00 H new ATOM 0 HG1 THR A 15 10.229 0.268 -17.566 1.00 0.00 H new ATOM 0 HG21 THR A 15 10.638 -0.209 -15.423 1.00 0.00 H new ATOM 0 HG22 THR A 15 9.287 -0.179 -14.265 1.00 0.00 H new ATOM 0 HG23 THR A 15 9.359 -1.443 -15.516 1.00 0.00 H new ATOM 178 N ARG A 16 5.935 -0.394 -14.310 1.00 0.00 N ATOM 179 CA ARG A 16 5.240 -0.275 -13.030 1.00 0.00 C ATOM 180 C ARG A 16 5.599 -1.411 -12.101 1.00 0.00 C ATOM 181 O ARG A 16 5.833 -2.550 -12.520 1.00 0.00 O ATOM 182 CB ARG A 16 3.709 -0.223 -13.299 1.00 0.00 C ATOM 183 CG ARG A 16 3.284 0.806 -14.381 1.00 0.00 C ATOM 184 CD ARG A 16 2.030 1.609 -14.011 1.00 0.00 C ATOM 185 NE ARG A 16 1.099 0.728 -13.260 1.00 0.00 N ATOM 186 CZ ARG A 16 -0.001 1.130 -12.635 1.00 0.00 C ATOM 187 NH1 ARG A 16 -0.450 2.350 -12.652 1.00 0.00 N ATOM 188 NH2 ARG A 16 -0.662 0.249 -11.972 1.00 0.00 N ATOM 0 H ARG A 16 5.778 -1.282 -14.787 1.00 0.00 H new ATOM 0 HA ARG A 16 5.551 0.643 -12.532 1.00 0.00 H new ATOM 0 HB2 ARG A 16 3.372 -1.214 -13.604 1.00 0.00 H new ATOM 0 HB3 ARG A 16 3.196 0.015 -12.367 1.00 0.00 H new ATOM 0 HG2 ARG A 16 4.109 1.497 -14.556 1.00 0.00 H new ATOM 0 HG3 ARG A 16 3.104 0.280 -15.319 1.00 0.00 H new ATOM 0 HD2 ARG A 16 2.301 2.474 -13.406 1.00 0.00 H new ATOM 0 HD3 ARG A 16 1.546 1.989 -14.911 1.00 0.00 H new ATOM 0 HE ARG A 16 1.323 -0.266 -13.221 1.00 0.00 H new ATOM 0 HH11 ARG A 16 0.052 3.071 -13.170 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -1.304 2.586 -12.147 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -0.335 -0.717 -11.941 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -1.513 0.516 -11.477 1.00 0.00 H new ATOM 202 N LYS A 17 5.639 -1.116 -10.814 1.00 0.00 N ATOM 203 CA LYS A 17 5.839 -2.136 -9.789 1.00 0.00 C ATOM 204 C LYS A 17 4.530 -2.514 -9.139 1.00 0.00 C ATOM 205 O LYS A 17 4.181 -2.039 -8.052 1.00 0.00 O ATOM 206 CB LYS A 17 6.853 -1.616 -8.733 1.00 0.00 C ATOM 207 CG LYS A 17 7.563 -2.748 -7.949 1.00 0.00 C ATOM 208 CD LYS A 17 7.508 -2.619 -6.425 1.00 0.00 C ATOM 209 CE LYS A 17 8.910 -2.856 -5.847 1.00 0.00 C ATOM 210 NZ LYS A 17 8.796 -3.514 -4.534 1.00 0.00 N ATOM 0 H LYS A 17 5.535 -0.170 -10.447 1.00 0.00 H new ATOM 0 HA LYS A 17 6.242 -3.034 -10.257 1.00 0.00 H new ATOM 0 HB2 LYS A 17 7.604 -1.004 -9.233 1.00 0.00 H new ATOM 0 HB3 LYS A 17 6.332 -0.968 -8.028 1.00 0.00 H new ATOM 0 HG2 LYS A 17 7.116 -3.701 -8.233 1.00 0.00 H new ATOM 0 HG3 LYS A 17 8.608 -2.782 -8.257 1.00 0.00 H new ATOM 0 HD2 LYS A 17 7.149 -1.629 -6.145 1.00 0.00 H new ATOM 0 HD3 LYS A 17 6.804 -3.342 -6.012 1.00 0.00 H new ATOM 0 HE2 LYS A 17 9.495 -3.476 -6.527 1.00 0.00 H new ATOM 0 HE3 LYS A 17 9.438 -1.908 -5.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 9.746 -3.675 -4.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 8.253 -2.907 -3.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 8.308 -4.426 -4.644 1.00 0.00 H new ATOM 224 N HIS A 18 3.769 -3.362 -9.807 1.00 0.00 N ATOM 225 CA HIS A 18 2.451 -3.763 -9.320 1.00 0.00 C ATOM 226 C HIS A 18 2.552 -4.424 -7.964 1.00 0.00 C ATOM 227 O HIS A 18 3.634 -4.570 -7.387 1.00 0.00 O ATOM 228 CB HIS A 18 1.886 -4.748 -10.357 1.00 0.00 C ATOM 229 CG HIS A 18 2.391 -6.147 -10.159 1.00 0.00 C ATOM 230 ND1 HIS A 18 3.716 -6.511 -9.933 1.00 0.00 N ATOM 231 CD2 HIS A 18 1.557 -7.257 -10.184 1.00 0.00 C ATOM 232 CE1 HIS A 18 3.574 -7.846 -9.830 1.00 0.00 C ATOM 233 NE2 HIS A 18 2.326 -8.371 -9.970 1.00 0.00 N ATOM 0 H HIS A 18 4.038 -3.791 -10.693 1.00 0.00 H new ATOM 0 HA HIS A 18 1.802 -2.896 -9.200 1.00 0.00 H new ATOM 0 HB2 HIS A 18 0.798 -4.747 -10.298 1.00 0.00 H new ATOM 0 HB3 HIS A 18 2.152 -4.408 -11.358 1.00 0.00 H new ATOM 0 HD2 HIS A 18 0.489 -7.245 -10.344 1.00 0.00 H new ATOM 0 HE1 HIS A 18 4.426 -8.482 -9.642 1.00 0.00 H new ATOM 0 HE2 HIS A 18 2.036 -9.348 -9.927 1.00 0.00 H new ATOM 445 N TRP A 32 9.127 -5.874 -10.846 1.00 0.00 N ATOM 446 CA TRP A 32 8.703 -4.795 -11.734 1.00 0.00 C ATOM 447 C TRP A 32 8.528 -5.318 -13.142 1.00 0.00 C ATOM 448 O TRP A 32 9.127 -6.348 -13.513 1.00 0.00 O ATOM 449 CB TRP A 32 9.761 -3.653 -11.735 1.00 0.00 C ATOM 450 CG TRP A 32 9.841 -2.807 -10.456 1.00 0.00 C ATOM 451 CD1 TRP A 32 10.399 -3.230 -9.232 1.00 0.00 C ATOM 452 CD2 TRP A 32 9.496 -1.484 -10.277 1.00 0.00 C ATOM 453 NE1 TRP A 32 10.417 -2.190 -8.283 1.00 0.00 N ATOM 454 CE2 TRP A 32 9.853 -1.117 -8.955 1.00 0.00 C ATOM 455 CE3 TRP A 32 8.890 -0.540 -11.146 1.00 0.00 C ATOM 456 CZ2 TRP A 32 9.635 0.204 -8.504 1.00 0.00 C ATOM 457 CZ3 TRP A 32 8.641 0.746 -10.662 1.00 0.00 C ATOM 458 CH2 TRP A 32 9.056 1.128 -9.378 1.00 0.00 C ATOM 0 HA TRP A 32 7.752 -4.404 -11.373 1.00 0.00 H new ATOM 0 HB2 TRP A 32 10.741 -4.093 -11.917 1.00 0.00 H new ATOM 0 HB3 TRP A 32 9.549 -2.989 -12.573 1.00 0.00 H new ATOM 0 HD1 TRP A 32 10.767 -4.228 -9.046 1.00 0.00 H new ATOM 0 HE1 TRP A 32 10.764 -2.219 -7.324 1.00 0.00 H new ATOM 0 HE3 TRP A 32 8.627 -0.810 -12.158 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 9.911 0.495 -7.501 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 8.121 1.457 -11.286 1.00 0.00 H new ATOM 0 HH2 TRP A 32 8.926 2.152 -9.060 1.00 0.00 H new ATOM 469 N ASP A 33 7.737 -4.651 -13.959 1.00 0.00 N ATOM 470 CA ASP A 33 7.475 -5.118 -15.321 1.00 0.00 C ATOM 471 C ASP A 33 6.949 -4.006 -16.199 1.00 0.00 C ATOM 472 O ASP A 33 6.403 -3.001 -15.733 1.00 0.00 O ATOM 473 CB ASP A 33 6.510 -6.332 -15.291 1.00 0.00 C ATOM 474 CG ASP A 33 7.032 -7.641 -15.901 1.00 0.00 C ATOM 475 OD1 ASP A 33 7.679 -7.681 -16.937 1.00 0.00 O ATOM 476 OD2 ASP A 33 6.714 -8.739 -15.152 1.00 0.00 O ATOM 0 H ASP A 33 7.261 -3.784 -13.711 1.00 0.00 H new ATOM 0 HA ASP A 33 8.418 -5.442 -15.761 1.00 0.00 H new ATOM 0 HB2 ASP A 33 6.237 -6.525 -14.253 1.00 0.00 H new ATOM 0 HB3 ASP A 33 5.595 -6.053 -15.814 1.00 0.00 H new ATOM 481 N LYS A 34 7.121 -4.175 -17.499 1.00 0.00 N ATOM 482 CA LYS A 34 6.549 -3.266 -18.488 1.00 0.00 C ATOM 483 C LYS A 34 5.358 -3.895 -19.173 1.00 0.00 C ATOM 484 O LYS A 34 5.401 -5.045 -19.626 1.00 0.00 O ATOM 485 CB LYS A 34 7.639 -2.871 -19.522 1.00 0.00 C ATOM 486 CG LYS A 34 8.612 -4.028 -19.861 1.00 0.00 C ATOM 487 CD LYS A 34 9.266 -3.936 -21.243 1.00 0.00 C ATOM 488 CE LYS A 34 10.606 -4.682 -21.221 1.00 0.00 C ATOM 489 NZ LYS A 34 11.440 -4.223 -22.346 1.00 0.00 N ATOM 0 H LYS A 34 7.659 -4.943 -17.902 1.00 0.00 H new ATOM 0 HA LYS A 34 6.199 -2.366 -17.982 1.00 0.00 H new ATOM 0 HB2 LYS A 34 7.155 -2.533 -20.438 1.00 0.00 H new ATOM 0 HB3 LYS A 34 8.210 -2.028 -19.133 1.00 0.00 H new ATOM 0 HG2 LYS A 34 9.397 -4.057 -19.105 1.00 0.00 H new ATOM 0 HG3 LYS A 34 8.070 -4.971 -19.794 1.00 0.00 H new ATOM 0 HD2 LYS A 34 8.609 -4.367 -21.998 1.00 0.00 H new ATOM 0 HD3 LYS A 34 9.422 -2.892 -21.515 1.00 0.00 H new ATOM 0 HE2 LYS A 34 11.119 -4.502 -20.276 1.00 0.00 H new ATOM 0 HE3 LYS A 34 10.438 -5.757 -21.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 12.349 -4.728 -22.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 10.950 -4.416 -23.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 11.610 -3.201 -22.257 1.00 0.00 H new ATOM 503 N VAL A 35 4.274 -3.149 -19.269 1.00 0.00 N ATOM 504 CA VAL A 35 3.014 -3.682 -19.779 1.00 0.00 C ATOM 505 C VAL A 35 2.048 -2.569 -20.112 1.00 0.00 C ATOM 506 O VAL A 35 2.233 -1.409 -19.725 1.00 0.00 O ATOM 507 CB VAL A 35 2.384 -4.672 -18.721 1.00 0.00 C ATOM 508 CG1 VAL A 35 2.637 -6.187 -18.958 1.00 0.00 C ATOM 509 CG2 VAL A 35 2.838 -4.406 -17.265 1.00 0.00 C ATOM 0 H VAL A 35 4.236 -2.166 -19.000 1.00 0.00 H new ATOM 0 HA VAL A 35 3.216 -4.230 -20.700 1.00 0.00 H new ATOM 0 HB VAL A 35 1.326 -4.454 -18.867 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.156 -6.764 -18.168 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.223 -6.478 -19.923 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.709 -6.383 -18.949 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.363 -5.126 -16.598 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.921 -4.508 -17.197 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.550 -3.396 -16.973 1.00 0.00 H new ATOM 519 N TYR A 36 1.010 -2.908 -20.856 1.00 0.00 N ATOM 520 CA TYR A 36 -0.076 -1.971 -21.137 1.00 0.00 C ATOM 521 C TYR A 36 -1.019 -1.875 -19.961 1.00 0.00 C ATOM 522 O TYR A 36 -2.010 -2.606 -19.839 1.00 0.00 O ATOM 523 CB TYR A 36 -0.901 -2.420 -22.379 1.00 0.00 C ATOM 524 CG TYR A 36 -0.814 -1.519 -23.619 1.00 0.00 C ATOM 525 CD1 TYR A 36 0.182 -1.740 -24.574 1.00 0.00 C ATOM 526 CD2 TYR A 36 -1.721 -0.469 -23.796 1.00 0.00 C ATOM 527 CE1 TYR A 36 0.256 -0.933 -25.707 1.00 0.00 C ATOM 528 CE2 TYR A 36 -1.673 0.306 -24.953 1.00 0.00 C ATOM 529 CZ TYR A 36 -0.682 0.077 -25.903 1.00 0.00 C ATOM 530 OH TYR A 36 -0.631 0.846 -27.031 1.00 0.00 O ATOM 0 H TYR A 36 0.891 -3.828 -21.280 1.00 0.00 H new ATOM 0 HA TYR A 36 0.384 -1.002 -21.331 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -0.576 -3.421 -22.661 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -1.948 -2.496 -22.085 1.00 0.00 H new ATOM 0 HD1 TYR A 36 0.896 -2.538 -24.433 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -2.459 -0.259 -23.036 1.00 0.00 H new ATOM 0 HE1 TYR A 36 1.040 -1.091 -26.433 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -2.405 1.084 -25.113 1.00 0.00 H new ATOM 0 HH TYR A 36 -1.358 1.503 -27.012 1.00 0.00 H new ATOM 540 N MET A 37 -0.714 -0.968 -19.047 1.00 0.00 N ATOM 541 CA MET A 37 -1.481 -0.848 -17.811 1.00 0.00 C ATOM 542 C MET A 37 -2.757 -0.071 -18.035 1.00 0.00 C ATOM 543 O MET A 37 -2.821 0.925 -18.762 1.00 0.00 O ATOM 544 CB MET A 37 -0.626 -0.170 -16.705 1.00 0.00 C ATOM 545 CG MET A 37 0.612 -0.976 -16.247 1.00 0.00 C ATOM 546 SD MET A 37 0.162 -2.087 -14.906 1.00 0.00 S ATOM 547 CE MET A 37 1.689 -3.032 -14.821 1.00 0.00 C ATOM 0 H MET A 37 0.056 -0.305 -19.134 1.00 0.00 H new ATOM 0 HA MET A 37 -1.748 -1.853 -17.483 1.00 0.00 H new ATOM 0 HB2 MET A 37 -0.293 0.802 -17.069 1.00 0.00 H new ATOM 0 HB3 MET A 37 -1.261 0.015 -15.839 1.00 0.00 H new ATOM 0 HG2 MET A 37 1.014 -1.547 -17.084 1.00 0.00 H new ATOM 0 HG3 MET A 37 1.398 -0.296 -15.918 1.00 0.00 H new ATOM 0 HE1 MET A 37 1.511 -4.045 -15.182 1.00 0.00 H new ATOM 0 HE2 MET A 37 2.448 -2.554 -15.441 1.00 0.00 H new ATOM 0 HE3 MET A 37 2.036 -3.071 -13.788 1.00 0.00 H new ATOM 557 N ALA A 38 -3.816 -0.551 -17.415 1.00 0.00 N ATOM 558 CA ALA A 38 -5.101 0.138 -17.351 1.00 0.00 C ATOM 559 C ALA A 38 -5.560 0.171 -15.907 1.00 0.00 C ATOM 560 O ALA A 38 -6.576 -0.413 -15.520 1.00 0.00 O ATOM 561 CB ALA A 38 -6.087 -0.567 -18.297 1.00 0.00 C ATOM 0 H ALA A 38 -3.813 -1.448 -16.930 1.00 0.00 H new ATOM 0 HA ALA A 38 -5.028 1.173 -17.685 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -7.052 -0.062 -18.259 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -5.700 -0.534 -19.316 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -6.208 -1.605 -17.988 1.00 0.00 H new ATOM 567 N ALA A 39 -4.805 0.893 -15.098 1.00 0.00 N ATOM 568 CA ALA A 39 -4.979 0.872 -13.651 1.00 0.00 C ATOM 569 C ALA A 39 -4.838 2.250 -13.049 1.00 0.00 C ATOM 570 O ALA A 39 -4.501 3.253 -13.694 1.00 0.00 O ATOM 571 CB ALA A 39 -3.952 -0.125 -13.082 1.00 0.00 C ATOM 0 H ALA A 39 -4.058 1.508 -15.420 1.00 0.00 H new ATOM 0 HA ALA A 39 -5.988 0.551 -13.393 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -4.050 -0.170 -11.997 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -4.133 -1.114 -13.504 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -2.945 0.202 -13.342 1.00 0.00 H new ATOM 577 N LYS A 40 -5.155 2.321 -11.762 1.00 0.00 N ATOM 578 CA LYS A 40 -4.957 3.529 -10.968 1.00 0.00 C ATOM 579 C LYS A 40 -5.209 3.253 -9.506 1.00 0.00 C ATOM 580 O LYS A 40 -5.110 2.110 -9.034 1.00 0.00 O ATOM 581 CB LYS A 40 -5.914 4.627 -11.517 1.00 0.00 C ATOM 582 CG LYS A 40 -7.386 4.132 -11.593 1.00 0.00 C ATOM 583 CD LYS A 40 -7.922 3.888 -13.009 1.00 0.00 C ATOM 584 CE LYS A 40 -9.361 3.362 -12.920 1.00 0.00 C ATOM 585 NZ LYS A 40 -10.177 3.994 -13.972 1.00 0.00 N ATOM 0 H LYS A 40 -5.557 1.543 -11.239 1.00 0.00 H new ATOM 0 HA LYS A 40 -3.926 3.872 -11.049 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -5.860 5.508 -10.877 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -5.583 4.933 -12.509 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -7.470 3.205 -11.025 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -8.025 4.866 -11.102 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -7.895 4.813 -13.585 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -7.291 3.169 -13.531 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -9.372 2.278 -13.037 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -9.780 3.581 -11.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -11.184 3.816 -13.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -10.002 5.019 -13.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -9.922 3.593 -14.897 1.00 0.00 H new ATOM 599 N ALA A 41 -5.557 4.278 -8.758 1.00 0.00 N ATOM 600 CA ALA A 41 -6.006 4.113 -7.375 1.00 0.00 C ATOM 601 C ALA A 41 -7.520 4.130 -7.306 1.00 0.00 C ATOM 602 O ALA A 41 -8.139 4.632 -6.361 1.00 0.00 O ATOM 603 CB ALA A 41 -5.321 5.214 -6.547 1.00 0.00 C ATOM 0 H ALA A 41 -5.540 5.246 -9.080 1.00 0.00 H new ATOM 0 HA ALA A 41 -5.722 3.146 -6.959 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -5.628 5.129 -5.505 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -4.239 5.102 -6.617 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -5.610 6.192 -6.932 1.00 0.00 H new ATOM 609 N GLY A 42 -8.162 3.614 -8.336 1.00 0.00 N ATOM 610 CA GLY A 42 -9.624 3.409 -8.342 1.00 0.00 C ATOM 611 C GLY A 42 -9.864 1.919 -8.577 1.00 0.00 C ATOM 612 O GLY A 42 -10.583 1.242 -7.840 1.00 0.00 O ATOM 0 H GLY A 42 -7.700 3.321 -9.197 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -10.062 3.726 -7.395 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -10.094 4.004 -9.125 1.00 0.00 H new ATOM 616 N ARG A 43 -9.256 1.439 -9.644 1.00 0.00 N ATOM 617 CA ARG A 43 -9.183 0.015 -9.946 1.00 0.00 C ATOM 618 C ARG A 43 -8.035 -0.278 -10.886 1.00 0.00 C ATOM 619 O ARG A 43 -7.680 0.534 -11.749 1.00 0.00 O ATOM 620 CB ARG A 43 -10.530 -0.463 -10.559 1.00 0.00 C ATOM 621 CG ARG A 43 -11.805 0.280 -10.072 1.00 0.00 C ATOM 622 CD ARG A 43 -13.074 -0.564 -10.259 1.00 0.00 C ATOM 623 NE ARG A 43 -14.228 0.357 -10.412 1.00 0.00 N ATOM 624 CZ ARG A 43 -15.464 -0.003 -10.731 1.00 0.00 C ATOM 625 NH1 ARG A 43 -15.837 -1.229 -10.952 1.00 0.00 N ATOM 626 NH2 ARG A 43 -16.347 0.927 -10.828 1.00 0.00 N ATOM 0 H ARG A 43 -8.793 2.029 -10.335 1.00 0.00 H new ATOM 0 HA ARG A 43 -9.003 -0.530 -9.020 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -10.468 -0.364 -11.643 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -10.648 -1.525 -10.342 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -11.694 0.537 -9.019 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -11.909 1.217 -10.620 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -12.979 -1.203 -11.137 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -13.223 -1.220 -9.402 1.00 0.00 H new ATOM 0 HE ARG A 43 -14.056 1.351 -10.259 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -15.159 -1.988 -10.884 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -16.807 -1.431 -11.193 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -16.085 1.899 -10.662 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -17.310 0.693 -11.071 1.00 0.00 H new ATOM 640 N ILE A 44 -7.437 -1.445 -10.738 1.00 0.00 N ATOM 641 CA ILE A 44 -6.388 -1.890 -11.652 1.00 0.00 C ATOM 642 C ILE A 44 -6.956 -2.722 -12.778 1.00 0.00 C ATOM 643 O ILE A 44 -7.960 -3.425 -12.626 1.00 0.00 O ATOM 644 CB ILE A 44 -5.238 -2.666 -10.887 1.00 0.00 C ATOM 645 CG1 ILE A 44 -4.014 -1.788 -10.474 1.00 0.00 C ATOM 646 CG2 ILE A 44 -4.702 -3.892 -11.692 1.00 0.00 C ATOM 647 CD1 ILE A 44 -4.343 -0.372 -9.960 1.00 0.00 C ATOM 0 H ILE A 44 -7.656 -2.107 -9.994 1.00 0.00 H new ATOM 0 HA ILE A 44 -5.942 -0.998 -12.092 1.00 0.00 H new ATOM 0 HB ILE A 44 -5.736 -2.997 -9.976 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -3.459 -2.315 -9.698 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -3.351 -1.696 -11.334 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -3.916 -4.387 -11.121 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -5.517 -4.594 -11.871 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -4.299 -3.553 -12.646 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -3.419 0.146 -9.703 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -4.867 0.185 -10.737 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -4.976 -0.444 -9.076 1.00 0.00 H new ATOM 659 N SER A 45 -6.313 -2.653 -13.927 1.00 0.00 N ATOM 660 CA SER A 45 -6.615 -3.501 -15.079 1.00 0.00 C ATOM 661 C SER A 45 -5.353 -3.743 -15.876 1.00 0.00 C ATOM 662 O SER A 45 -4.808 -2.818 -16.504 1.00 0.00 O ATOM 663 CB SER A 45 -7.748 -2.899 -15.947 1.00 0.00 C ATOM 664 OG SER A 45 -8.642 -3.892 -16.461 1.00 0.00 O ATOM 0 H SER A 45 -5.551 -1.996 -14.096 1.00 0.00 H new ATOM 0 HA SER A 45 -6.983 -4.463 -14.723 1.00 0.00 H new ATOM 0 HB2 SER A 45 -8.313 -2.182 -15.352 1.00 0.00 H new ATOM 0 HB3 SER A 45 -7.308 -2.348 -16.778 1.00 0.00 H new ATOM 0 HG SER A 45 -9.337 -3.459 -16.999 1.00 0.00 H new ATOM 670 N PHE A 46 -4.864 -4.968 -15.902 1.00 0.00 N ATOM 671 CA PHE A 46 -3.551 -5.259 -16.488 1.00 0.00 C ATOM 672 C PHE A 46 -3.615 -6.026 -17.790 1.00 0.00 C ATOM 673 O PHE A 46 -4.421 -6.945 -17.965 1.00 0.00 O ATOM 674 CB PHE A 46 -2.740 -6.119 -15.467 1.00 0.00 C ATOM 675 CG PHE A 46 -2.140 -5.362 -14.272 1.00 0.00 C ATOM 676 CD1 PHE A 46 -2.468 -4.022 -14.039 1.00 0.00 C ATOM 677 CD2 PHE A 46 -1.309 -6.032 -13.368 1.00 0.00 C ATOM 678 CE1 PHE A 46 -2.005 -3.377 -12.895 1.00 0.00 C ATOM 679 CE2 PHE A 46 -0.846 -5.386 -12.227 1.00 0.00 C ATOM 680 CZ PHE A 46 -1.236 -4.075 -11.965 1.00 0.00 C ATOM 0 H PHE A 46 -5.349 -5.783 -15.527 1.00 0.00 H new ATOM 0 HA PHE A 46 -3.083 -4.298 -16.703 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -3.393 -6.903 -15.084 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -1.929 -6.613 -16.002 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -3.082 -3.487 -14.748 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -1.025 -7.057 -13.557 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -2.242 -2.336 -12.728 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -0.185 -5.900 -11.545 1.00 0.00 H new ATOM 0 HZ PHE A 46 -0.943 -3.599 -11.041 1.00 0.00 H new ATOM 690 N TYR A 47 -2.781 -5.636 -18.735 1.00 0.00 N ATOM 691 CA TYR A 47 -2.582 -6.380 -19.976 1.00 0.00 C ATOM 692 C TYR A 47 -1.272 -5.991 -20.625 1.00 0.00 C ATOM 693 O TYR A 47 -0.985 -4.800 -20.825 1.00 0.00 O ATOM 694 CB TYR A 47 -3.731 -6.109 -20.993 1.00 0.00 C ATOM 695 CG TYR A 47 -3.978 -4.657 -21.423 1.00 0.00 C ATOM 696 CD1 TYR A 47 -4.449 -3.726 -20.493 1.00 0.00 C ATOM 697 CD2 TYR A 47 -3.750 -4.259 -22.744 1.00 0.00 C ATOM 698 CE1 TYR A 47 -4.667 -2.405 -20.874 1.00 0.00 C ATOM 699 CE2 TYR A 47 -4.061 -2.961 -23.144 1.00 0.00 C ATOM 700 CZ TYR A 47 -4.497 -2.030 -22.205 1.00 0.00 C ATOM 701 OH TYR A 47 -4.753 -0.745 -22.591 1.00 0.00 O ATOM 0 H TYR A 47 -2.216 -4.789 -18.668 1.00 0.00 H new ATOM 0 HA TYR A 47 -2.573 -7.438 -19.715 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -3.529 -6.694 -21.890 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -4.656 -6.493 -20.563 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -4.644 -4.032 -19.476 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -3.333 -4.958 -23.454 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -4.967 -1.672 -20.139 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -3.964 -2.677 -24.182 1.00 0.00 H new ATOM 0 HH TYR A 47 -4.271 -0.551 -23.422 1.00 0.00 H new ATOM 711 N LYS A 48 -0.455 -6.962 -20.992 1.00 0.00 N ATOM 712 CA LYS A 48 0.799 -6.687 -21.695 1.00 0.00 C ATOM 713 C LYS A 48 0.505 -6.125 -23.070 1.00 0.00 C ATOM 714 O LYS A 48 1.073 -5.137 -23.545 1.00 0.00 O ATOM 715 CB LYS A 48 1.651 -7.982 -21.780 1.00 0.00 C ATOM 716 CG LYS A 48 2.989 -7.795 -22.536 1.00 0.00 C ATOM 717 CD LYS A 48 4.244 -7.955 -21.673 1.00 0.00 C ATOM 718 CE LYS A 48 4.198 -9.313 -20.960 1.00 0.00 C ATOM 719 NZ LYS A 48 5.448 -9.514 -20.206 1.00 0.00 N ATOM 0 H LYS A 48 -0.632 -7.951 -20.818 1.00 0.00 H new ATOM 0 HA LYS A 48 1.373 -5.943 -21.143 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.860 -8.336 -20.771 1.00 0.00 H new ATOM 0 HB3 LYS A 48 1.068 -8.758 -22.276 1.00 0.00 H new ATOM 0 HG2 LYS A 48 3.032 -8.516 -23.352 1.00 0.00 H new ATOM 0 HG3 LYS A 48 3.000 -6.803 -22.987 1.00 0.00 H new ATOM 0 HD2 LYS A 48 5.137 -7.887 -22.294 1.00 0.00 H new ATOM 0 HD3 LYS A 48 4.302 -7.149 -20.942 1.00 0.00 H new ATOM 0 HE2 LYS A 48 3.343 -9.353 -20.285 1.00 0.00 H new ATOM 0 HE3 LYS A 48 4.067 -10.114 -21.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 6.050 -10.198 -20.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 5.951 -8.608 -20.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 5.226 -9.878 -19.257 1.00 0.00 H new ATOM 733 N ASP A 49 -0.442 -6.768 -23.731 1.00 0.00 N ATOM 734 CA ASP A 49 -1.005 -6.325 -25.001 1.00 0.00 C ATOM 735 C ASP A 49 -2.375 -6.935 -25.196 1.00 0.00 C ATOM 736 O ASP A 49 -3.094 -7.205 -24.212 1.00 0.00 O ATOM 737 CB ASP A 49 -0.047 -6.653 -26.176 1.00 0.00 C ATOM 738 CG ASP A 49 1.460 -6.565 -25.900 1.00 0.00 C ATOM 739 OD1 ASP A 49 2.110 -7.494 -25.442 1.00 0.00 O ATOM 740 OD2 ASP A 49 1.991 -5.351 -26.238 1.00 0.00 O ATOM 0 H ASP A 49 -0.854 -7.637 -23.392 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.120 -5.241 -24.983 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -0.269 -7.663 -26.520 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -0.279 -5.978 -26.999 1.00 0.00 H new ATOM 745 N GLN A 50 -2.794 -7.152 -26.426 1.00 0.00 N ATOM 746 CA GLN A 50 -4.026 -7.885 -26.701 1.00 0.00 C ATOM 747 C GLN A 50 -3.744 -9.364 -26.841 1.00 0.00 C ATOM 748 O GLN A 50 -3.858 -9.932 -27.932 1.00 0.00 O ATOM 749 CB GLN A 50 -4.664 -7.314 -27.985 1.00 0.00 C ATOM 750 CG GLN A 50 -3.804 -7.409 -29.289 1.00 0.00 C ATOM 751 CD GLN A 50 -3.057 -6.165 -29.785 1.00 0.00 C ATOM 752 OE1 GLN A 50 -1.877 -6.218 -30.094 1.00 0.00 O ATOM 753 NE2 GLN A 50 -3.683 -5.019 -29.876 1.00 0.00 N ATOM 0 H GLN A 50 -2.301 -6.832 -27.259 1.00 0.00 H new ATOM 0 HA GLN A 50 -4.722 -7.766 -25.871 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -5.607 -7.833 -28.158 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -4.905 -6.265 -27.810 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -3.066 -8.197 -29.138 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -4.462 -7.739 -30.093 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -4.669 -4.955 -29.622 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -3.185 -4.190 -30.201 1.00 0.00 H new ATOM 762 N LYS A 51 -3.397 -10.024 -25.752 1.00 0.00 N ATOM 763 CA LYS A 51 -2.946 -11.416 -25.731 1.00 0.00 C ATOM 764 C LYS A 51 -3.942 -12.303 -25.026 1.00 0.00 C ATOM 765 O LYS A 51 -4.815 -12.917 -25.688 1.00 0.00 O ATOM 766 CB LYS A 51 -1.558 -11.475 -25.033 1.00 0.00 C ATOM 767 CG LYS A 51 -1.442 -10.467 -23.852 1.00 0.00 C ATOM 768 CD LYS A 51 -0.609 -10.944 -22.658 1.00 0.00 C ATOM 769 CE LYS A 51 0.806 -11.280 -23.154 1.00 0.00 C ATOM 770 NZ LYS A 51 1.582 -11.930 -22.083 1.00 0.00 N ATOM 0 H LYS A 51 -3.420 -9.599 -24.825 1.00 0.00 H new ATOM 0 HA LYS A 51 -2.860 -11.785 -26.753 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -1.384 -12.485 -24.663 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -0.778 -11.264 -25.764 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -1.008 -9.541 -24.229 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -2.446 -10.229 -23.501 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -0.568 -10.170 -21.891 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -1.069 -11.821 -22.202 1.00 0.00 H new ATOM 0 HE2 LYS A 51 0.748 -11.938 -24.021 1.00 0.00 H new ATOM 0 HE3 LYS A 51 1.311 -10.370 -23.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 2.492 -12.258 -22.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 1.753 -11.249 -21.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 1.049 -12.742 -21.712 1.00 0.00 H new ATOM 784 N GLY A 52 -3.850 -12.459 -23.721 1.00 0.00 N ATOM 785 CA GLY A 52 -4.932 -13.139 -22.972 1.00 0.00 C ATOM 786 C GLY A 52 -6.242 -12.481 -23.422 1.00 0.00 C ATOM 787 O GLY A 52 -7.298 -13.098 -23.568 1.00 0.00 O ATOM 0 H GLY A 52 -3.066 -12.140 -23.153 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -4.940 -14.208 -23.184 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -4.790 -13.029 -21.897 1.00 0.00 H new ATOM 791 N TYR A 53 -6.134 -11.190 -23.674 1.00 0.00 N ATOM 792 CA TYR A 53 -7.186 -10.376 -24.271 1.00 0.00 C ATOM 793 C TYR A 53 -7.517 -10.828 -25.679 1.00 0.00 C ATOM 794 O TYR A 53 -8.706 -10.950 -26.039 1.00 0.00 O ATOM 795 CB TYR A 53 -6.740 -8.884 -24.342 1.00 0.00 C ATOM 796 CG TYR A 53 -7.326 -7.912 -23.312 1.00 0.00 C ATOM 797 CD1 TYR A 53 -8.691 -7.930 -23.011 1.00 0.00 C ATOM 798 CD2 TYR A 53 -6.490 -6.992 -22.671 1.00 0.00 C ATOM 799 CE1 TYR A 53 -9.215 -7.021 -22.094 1.00 0.00 C ATOM 800 CE2 TYR A 53 -7.007 -6.127 -21.711 1.00 0.00 C ATOM 801 CZ TYR A 53 -8.372 -6.132 -21.435 1.00 0.00 C ATOM 802 OH TYR A 53 -8.885 -5.264 -20.513 1.00 0.00 O ATOM 0 H TYR A 53 -5.288 -10.659 -23.464 1.00 0.00 H new ATOM 0 HA TYR A 53 -8.067 -10.488 -23.640 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -5.654 -8.855 -24.250 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -6.986 -8.508 -25.335 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -9.340 -8.649 -23.489 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -5.440 -6.953 -22.922 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -10.276 -7.007 -21.895 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -6.351 -5.453 -21.181 1.00 0.00 H new ATOM 0 HH TYR A 53 -8.163 -4.713 -20.145 1.00 0.00 H new ATOM 812 N LYS A 54 -6.529 -11.056 -26.522 1.00 0.00 N ATOM 813 CA LYS A 54 -6.708 -11.639 -27.856 1.00 0.00 C ATOM 814 C LYS A 54 -7.798 -12.688 -27.898 1.00 0.00 C ATOM 815 O LYS A 54 -8.649 -12.693 -28.805 1.00 0.00 O ATOM 816 CB LYS A 54 -5.358 -12.251 -28.323 1.00 0.00 C ATOM 817 CG LYS A 54 -4.966 -11.885 -29.776 1.00 0.00 C ATOM 818 CD LYS A 54 -5.368 -10.481 -30.234 1.00 0.00 C ATOM 819 CE LYS A 54 -4.947 -10.285 -31.696 1.00 0.00 C ATOM 820 NZ LYS A 54 -3.639 -9.608 -31.743 1.00 0.00 N ATOM 0 H LYS A 54 -5.556 -10.840 -26.303 1.00 0.00 H new ATOM 0 HA LYS A 54 -7.021 -10.841 -28.529 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -4.568 -11.917 -27.650 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -5.414 -13.336 -28.236 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -3.886 -11.986 -29.879 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -5.420 -12.612 -30.450 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -6.445 -10.347 -30.133 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -4.893 -9.730 -29.603 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -4.888 -11.249 -32.201 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -5.694 -9.693 -32.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -3.051 -10.039 -32.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -3.778 -8.599 -31.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -3.163 -9.707 -30.823 1.00 0.00 H new ATOM 834 N SER A 55 -7.796 -13.608 -26.952 1.00 0.00 N ATOM 835 CA SER A 55 -8.715 -14.747 -26.992 1.00 0.00 C ATOM 836 C SER A 55 -9.950 -14.494 -26.158 1.00 0.00 C ATOM 837 O SER A 55 -11.084 -14.747 -26.602 1.00 0.00 O ATOM 838 CB SER A 55 -7.992 -16.048 -26.562 1.00 0.00 C ATOM 839 OG SER A 55 -7.337 -16.706 -27.654 1.00 0.00 O ATOM 0 H SER A 55 -7.172 -13.596 -26.145 1.00 0.00 H new ATOM 0 HA SER A 55 -9.048 -14.874 -28.022 1.00 0.00 H new ATOM 0 HB2 SER A 55 -7.257 -15.812 -25.792 1.00 0.00 H new ATOM 0 HB3 SER A 55 -8.715 -16.729 -26.114 1.00 0.00 H new ATOM 0 HG SER A 55 -6.896 -17.519 -27.329 1.00 0.00 H new ATOM 845 N ASN A 56 -9.779 -14.019 -24.939 1.00 0.00 N ATOM 846 CA ASN A 56 -10.908 -13.788 -24.039 1.00 0.00 C ATOM 847 C ASN A 56 -10.746 -12.493 -23.279 1.00 0.00 C ATOM 848 O ASN A 56 -9.648 -12.100 -22.893 1.00 0.00 O ATOM 849 CB ASN A 56 -11.045 -14.987 -23.055 1.00 0.00 C ATOM 850 CG ASN A 56 -10.977 -16.396 -23.655 1.00 0.00 C ATOM 851 OD1 ASN A 56 -9.961 -16.839 -24.168 1.00 0.00 O ATOM 852 ND2 ASN A 56 -12.037 -17.157 -23.593 1.00 0.00 N ATOM 0 H ASN A 56 -8.869 -13.783 -24.543 1.00 0.00 H new ATOM 0 HA ASN A 56 -11.817 -13.707 -24.636 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -10.258 -14.901 -22.305 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -11.996 -14.888 -22.532 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -12.007 -18.104 -23.970 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -12.894 -16.804 -23.168 1.00 0.00 H new ATOM 859 N PRO A 57 -11.850 -11.804 -23.047 1.00 0.00 N ATOM 860 CA PRO A 57 -11.952 -10.503 -22.250 1.00 0.00 C ATOM 861 C PRO A 57 -11.714 -10.624 -20.760 1.00 0.00 C ATOM 862 O PRO A 57 -11.530 -9.603 -20.065 1.00 0.00 O ATOM 863 CB PRO A 57 -13.368 -9.988 -22.463 1.00 0.00 C ATOM 864 CG PRO A 57 -14.154 -11.296 -22.650 1.00 0.00 C ATOM 865 CD PRO A 57 -13.215 -12.153 -23.508 1.00 0.00 C ATOM 0 HA PRO A 57 -11.164 -9.842 -22.611 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -13.727 -9.414 -21.609 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -13.440 -9.339 -23.336 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -14.374 -11.773 -21.695 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -15.108 -11.124 -23.147 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -13.417 -13.216 -23.374 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -13.341 -11.936 -24.569 1.00 0.00 H new ATOM 873 N GLU A 58 -11.681 -11.826 -20.216 1.00 0.00 N ATOM 874 CA GLU A 58 -11.494 -12.028 -18.782 1.00 0.00 C ATOM 875 C GLU A 58 -10.078 -12.447 -18.457 1.00 0.00 C ATOM 876 O GLU A 58 -9.695 -12.498 -17.269 1.00 0.00 O ATOM 877 CB GLU A 58 -12.519 -13.094 -18.301 1.00 0.00 C ATOM 878 CG GLU A 58 -12.578 -14.444 -19.090 1.00 0.00 C ATOM 879 CD GLU A 58 -13.952 -15.052 -19.386 1.00 0.00 C ATOM 880 OE1 GLU A 58 -14.950 -14.795 -18.726 1.00 0.00 O ATOM 881 OE2 GLU A 58 -13.957 -15.903 -20.450 1.00 0.00 O ATOM 0 H GLU A 58 -11.782 -12.690 -20.749 1.00 0.00 H new ATOM 0 HA GLU A 58 -11.664 -11.087 -18.259 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -12.302 -13.323 -17.258 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -13.511 -12.644 -18.329 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -12.068 -14.295 -20.042 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -12.002 -15.181 -18.531 1.00 0.00 H new ATOM 888 N LEU A 59 -9.267 -12.778 -19.443 1.00 0.00 N ATOM 889 CA LEU A 59 -7.846 -13.053 -19.221 1.00 0.00 C ATOM 890 C LEU A 59 -6.970 -12.070 -19.963 1.00 0.00 C ATOM 891 O LEU A 59 -7.407 -11.352 -20.869 1.00 0.00 O ATOM 892 CB LEU A 59 -7.506 -14.514 -19.630 1.00 0.00 C ATOM 893 CG LEU A 59 -8.142 -15.669 -18.807 1.00 0.00 C ATOM 894 CD1 LEU A 59 -8.378 -16.936 -19.643 1.00 0.00 C ATOM 895 CD2 LEU A 59 -7.260 -16.001 -17.596 1.00 0.00 C ATOM 0 H LEU A 59 -9.563 -12.865 -20.415 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.644 -12.934 -18.157 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -7.799 -14.646 -20.672 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.423 -14.630 -19.586 1.00 0.00 H new ATOM 0 HG LEU A 59 -9.118 -15.319 -18.472 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -8.824 -17.708 -19.016 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -9.051 -16.707 -20.469 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -7.427 -17.294 -20.038 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -7.715 -16.811 -17.026 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -6.272 -16.308 -17.939 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -7.166 -15.120 -16.962 1.00 0.00 H new ATOM 907 N THR A 60 -5.710 -12.008 -19.567 1.00 0.00 N ATOM 908 CA THR A 60 -4.703 -11.216 -20.266 1.00 0.00 C ATOM 909 C THR A 60 -3.320 -11.762 -20.008 1.00 0.00 C ATOM 910 O THR A 60 -3.163 -12.936 -19.623 1.00 0.00 O ATOM 911 CB THR A 60 -4.800 -9.706 -19.844 1.00 0.00 C ATOM 912 OG1 THR A 60 -3.825 -9.358 -18.871 1.00 0.00 O ATOM 913 CG2 THR A 60 -6.139 -9.269 -19.205 1.00 0.00 C ATOM 0 H THR A 60 -5.352 -12.505 -18.751 1.00 0.00 H new ATOM 0 HA THR A 60 -4.895 -11.282 -21.337 1.00 0.00 H new ATOM 0 HB THR A 60 -4.664 -9.205 -20.802 1.00 0.00 H new ATOM 0 HG1 THR A 60 -4.105 -8.543 -18.404 1.00 0.00 H new ATOM 0 HG21 THR A 60 -6.093 -8.209 -18.954 1.00 0.00 H new ATOM 0 HG22 THR A 60 -6.952 -9.440 -19.911 1.00 0.00 H new ATOM 0 HG23 THR A 60 -6.317 -9.849 -18.300 1.00 0.00 H new ATOM 921 N PHE A 61 -2.299 -10.956 -20.239 1.00 0.00 N ATOM 922 CA PHE A 61 -0.945 -11.324 -19.829 1.00 0.00 C ATOM 923 C PHE A 61 -0.993 -11.875 -18.420 1.00 0.00 C ATOM 924 O PHE A 61 -1.674 -11.211 -17.572 1.00 0.00 O ATOM 925 CB PHE A 61 0.005 -10.089 -19.821 1.00 0.00 C ATOM 926 CG PHE A 61 1.284 -10.208 -18.973 1.00 0.00 C ATOM 927 CD1 PHE A 61 2.122 -11.320 -19.091 1.00 0.00 C ATOM 928 CD2 PHE A 61 1.607 -9.199 -18.056 1.00 0.00 C ATOM 929 CE1 PHE A 61 3.298 -11.392 -18.349 1.00 0.00 C ATOM 930 CE2 PHE A 61 2.774 -9.279 -17.305 1.00 0.00 C ATOM 931 CZ PHE A 61 3.638 -10.358 -17.478 1.00 0.00 C ATOM 0 H PHE A 61 -2.374 -10.051 -20.703 1.00 0.00 H new ATOM 0 HA PHE A 61 -0.568 -12.060 -20.539 1.00 0.00 H new ATOM 0 HB2 PHE A 61 0.297 -9.877 -20.850 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -0.560 -9.227 -19.466 1.00 0.00 H new ATOM 0 HD1 PHE A 61 1.857 -12.126 -19.760 1.00 0.00 H new ATOM 0 HD2 PHE A 61 0.946 -8.354 -17.932 1.00 0.00 H new ATOM 0 HE1 PHE A 61 3.947 -12.249 -18.448 1.00 0.00 H new ATOM 0 HE2 PHE A 61 3.010 -8.506 -16.589 1.00 0.00 H new ATOM 0 HZ PHE A 61 4.572 -10.393 -16.937 1.00 0.00 H new ATOM 941 N ARG A 62 -0.385 -13.003 -18.107 1.00 0.00 N ATOM 942 CA ARG A 62 -0.438 -13.487 -16.717 1.00 0.00 C ATOM 943 C ARG A 62 -0.114 -12.345 -15.786 1.00 0.00 C ATOM 944 O ARG A 62 0.854 -11.594 -15.966 1.00 0.00 O ATOM 945 CB ARG A 62 0.517 -14.693 -16.521 1.00 0.00 C ATOM 946 CG ARG A 62 -0.059 -16.072 -16.946 1.00 0.00 C ATOM 947 CD ARG A 62 1.023 -17.159 -17.015 1.00 0.00 C ATOM 948 NE ARG A 62 0.427 -18.394 -17.583 1.00 0.00 N ATOM 949 CZ ARG A 62 0.457 -18.751 -18.860 1.00 0.00 C ATOM 950 NH1 ARG A 62 1.023 -18.057 -19.803 1.00 0.00 N ATOM 951 NH2 ARG A 62 -0.113 -19.858 -19.182 1.00 0.00 N ATOM 0 H ARG A 62 0.135 -13.591 -18.758 1.00 0.00 H new ATOM 0 HA ARG A 62 -1.442 -13.844 -16.485 1.00 0.00 H new ATOM 0 HB2 ARG A 62 1.430 -14.509 -17.088 1.00 0.00 H new ATOM 0 HB3 ARG A 62 0.800 -14.744 -15.470 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -0.830 -16.375 -16.238 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -0.539 -15.978 -17.920 1.00 0.00 H new ATOM 0 HD2 ARG A 62 1.856 -16.823 -17.633 1.00 0.00 H new ATOM 0 HD3 ARG A 62 1.423 -17.356 -16.021 1.00 0.00 H new ATOM 0 HE ARG A 62 -0.047 -19.023 -16.935 1.00 0.00 H new ATOM 0 HH11 ARG A 62 1.484 -17.175 -19.580 1.00 0.00 H new ATOM 0 HH12 ARG A 62 1.006 -18.395 -20.765 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -0.566 -20.426 -18.466 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -0.112 -20.168 -20.154 1.00 0.00 H new ATOM 965 N GLY A 63 -0.941 -12.181 -14.779 1.00 0.00 N ATOM 966 CA GLY A 63 -0.965 -10.973 -13.941 1.00 0.00 C ATOM 967 C GLY A 63 -2.052 -10.065 -14.587 1.00 0.00 C ATOM 968 O GLY A 63 -1.975 -8.839 -14.664 1.00 0.00 O ATOM 0 H GLY A 63 -1.629 -12.882 -14.504 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -1.213 -11.213 -12.907 1.00 0.00 H new ATOM 0 HA3 GLY A 63 0.007 -10.480 -13.929 1.00 0.00 H new ATOM 972 N GLU A 64 -3.069 -10.741 -15.075 1.00 0.00 N ATOM 973 CA GLU A 64 -4.108 -10.190 -15.940 1.00 0.00 C ATOM 974 C GLU A 64 -5.195 -9.416 -15.213 1.00 0.00 C ATOM 975 O GLU A 64 -5.713 -8.419 -15.737 1.00 0.00 O ATOM 976 CB GLU A 64 -4.687 -11.388 -16.774 1.00 0.00 C ATOM 977 CG GLU A 64 -5.361 -12.597 -16.036 1.00 0.00 C ATOM 978 CD GLU A 64 -4.616 -13.933 -15.994 1.00 0.00 C ATOM 979 OE1 GLU A 64 -3.923 -14.341 -16.916 1.00 0.00 O ATOM 980 OE2 GLU A 64 -4.797 -14.624 -14.834 1.00 0.00 O ATOM 0 H GLU A 64 -3.207 -11.732 -14.876 1.00 0.00 H new ATOM 0 HA GLU A 64 -3.662 -9.434 -16.587 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -5.423 -10.977 -17.465 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -3.872 -11.788 -17.377 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -5.553 -12.292 -15.007 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -6.330 -12.772 -16.503 1.00 0.00 H new ATOM 987 N PRO A 65 -5.585 -9.818 -14.021 1.00 0.00 N ATOM 988 CA PRO A 65 -6.717 -9.308 -13.136 1.00 0.00 C ATOM 989 C PRO A 65 -6.765 -7.813 -12.864 1.00 0.00 C ATOM 990 O PRO A 65 -6.156 -6.963 -13.522 1.00 0.00 O ATOM 991 CB PRO A 65 -6.540 -10.009 -11.793 1.00 0.00 C ATOM 992 CG PRO A 65 -5.924 -11.354 -12.213 1.00 0.00 C ATOM 993 CD PRO A 65 -4.924 -10.963 -13.293 1.00 0.00 C ATOM 0 HA PRO A 65 -7.642 -9.520 -13.672 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -5.884 -9.451 -11.125 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -7.489 -10.140 -11.273 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -5.436 -11.852 -11.375 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -6.680 -12.040 -12.595 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -3.970 -10.661 -12.861 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -4.720 -11.796 -13.965 1.00 0.00 H new ATOM 1001 N SER A 66 -7.557 -7.467 -11.854 1.00 0.00 N ATOM 1002 CA SER A 66 -7.852 -6.090 -11.469 1.00 0.00 C ATOM 1003 C SER A 66 -7.715 -5.893 -9.976 1.00 0.00 C ATOM 1004 O SER A 66 -7.631 -6.861 -9.204 1.00 0.00 O ATOM 1005 CB SER A 66 -9.265 -5.684 -11.963 1.00 0.00 C ATOM 1006 OG SER A 66 -10.249 -6.698 -11.730 1.00 0.00 O ATOM 0 H SER A 66 -8.025 -8.155 -11.264 1.00 0.00 H new ATOM 0 HA SER A 66 -7.121 -5.439 -11.948 1.00 0.00 H new ATOM 0 HB2 SER A 66 -9.570 -4.766 -11.461 1.00 0.00 H new ATOM 0 HB3 SER A 66 -9.222 -5.464 -13.030 1.00 0.00 H new ATOM 0 HG SER A 66 -11.120 -6.390 -12.058 1.00 0.00 H new ATOM 1012 N TYR A 67 -7.713 -4.651 -9.524 1.00 0.00 N ATOM 1013 CA TYR A 67 -7.740 -4.326 -8.096 1.00 0.00 C ATOM 1014 C TYR A 67 -8.468 -3.022 -7.847 1.00 0.00 C ATOM 1015 O TYR A 67 -7.840 -1.958 -7.818 1.00 0.00 O ATOM 1016 CB TYR A 67 -6.306 -4.162 -7.497 1.00 0.00 C ATOM 1017 CG TYR A 67 -5.288 -5.301 -7.652 1.00 0.00 C ATOM 1018 CD1 TYR A 67 -5.308 -6.373 -6.755 1.00 0.00 C ATOM 1019 CD2 TYR A 67 -4.331 -5.271 -8.670 1.00 0.00 C ATOM 1020 CE1 TYR A 67 -4.321 -7.353 -6.814 1.00 0.00 C ATOM 1021 CE2 TYR A 67 -3.344 -6.253 -8.728 1.00 0.00 C ATOM 1022 CZ TYR A 67 -3.310 -7.260 -7.768 1.00 0.00 C ATOM 1023 OH TYR A 67 -2.284 -8.162 -7.765 1.00 0.00 O ATOM 0 H TYR A 67 -7.693 -3.833 -10.133 1.00 0.00 H new ATOM 0 HA TYR A 67 -8.251 -5.161 -7.617 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -5.867 -3.269 -7.941 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -6.418 -3.966 -6.431 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -6.091 -6.441 -6.014 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -4.356 -4.487 -9.412 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -4.339 -8.182 -6.123 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -2.607 -6.233 -9.517 1.00 0.00 H new ATOM 0 HH TYR A 67 -1.665 -7.956 -8.496 1.00 0.00 H new ATOM 1033 N ASP A 68 -9.769 -3.069 -7.633 1.00 0.00 N ATOM 1034 CA ASP A 68 -10.554 -1.897 -7.241 1.00 0.00 C ATOM 1035 C ASP A 68 -9.969 -1.207 -6.030 1.00 0.00 C ATOM 1036 O ASP A 68 -10.356 -1.537 -4.882 1.00 0.00 O ATOM 1037 CB ASP A 68 -12.034 -2.302 -7.004 1.00 0.00 C ATOM 1038 CG ASP A 68 -12.990 -1.187 -6.555 1.00 0.00 C ATOM 1039 OD1 ASP A 68 -13.215 -0.191 -7.226 1.00 0.00 O ATOM 1040 OD2 ASP A 68 -13.551 -1.431 -5.332 1.00 0.00 O ATOM 0 H ASP A 68 -10.321 -3.922 -7.725 1.00 0.00 H new ATOM 0 HA ASP A 68 -10.518 -1.177 -8.058 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -12.422 -2.731 -7.928 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -12.055 -3.091 -6.253 1.00 0.00 H new ATOM 1045 N LEU A 69 -9.072 -0.249 -6.185 1.00 0.00 N ATOM 1046 CA LEU A 69 -8.394 0.366 -5.038 1.00 0.00 C ATOM 1047 C LEU A 69 -8.923 1.741 -4.682 1.00 0.00 C ATOM 1048 O LEU A 69 -8.143 2.742 -4.653 1.00 0.00 O ATOM 1049 CB LEU A 69 -6.852 0.444 -5.271 1.00 0.00 C ATOM 1050 CG LEU A 69 -6.034 -0.286 -6.361 1.00 0.00 C ATOM 1051 CD1 LEU A 69 -4.676 0.422 -6.563 1.00 0.00 C ATOM 1052 CD2 LEU A 69 -5.770 -1.760 -6.014 1.00 0.00 C ATOM 0 H LEU A 69 -8.790 0.126 -7.091 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.608 -0.288 -4.193 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.634 1.503 -5.408 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -6.402 0.146 -4.324 1.00 0.00 H new ATOM 0 HG LEU A 69 -6.629 -0.254 -7.274 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -4.105 -0.098 -7.332 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.846 1.453 -6.872 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.117 0.411 -5.627 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.192 -2.224 -6.813 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.211 -1.819 -5.080 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.720 -2.283 -5.902 1.00 0.00 H new ATOM 1064 N GLN A 70 -10.190 1.907 -4.355 1.00 0.00 N ATOM 1065 CA GLN A 70 -10.677 3.166 -3.784 1.00 0.00 C ATOM 1066 C GLN A 70 -10.421 3.219 -2.290 1.00 0.00 C ATOM 1067 O GLN A 70 -10.970 4.008 -1.515 1.00 0.00 O ATOM 1068 CB GLN A 70 -12.182 3.327 -4.087 1.00 0.00 C ATOM 1069 CG GLN A 70 -12.870 2.161 -4.871 1.00 0.00 C ATOM 1070 CD GLN A 70 -14.171 2.421 -5.638 1.00 0.00 C ATOM 1071 OE1 GLN A 70 -15.254 2.107 -5.167 1.00 0.00 O ATOM 1072 NE2 GLN A 70 -14.136 2.985 -6.818 1.00 0.00 N ATOM 0 H GLN A 70 -10.907 1.191 -4.472 1.00 0.00 H new ATOM 0 HA GLN A 70 -10.133 3.992 -4.242 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -12.707 3.457 -3.141 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -12.318 4.246 -4.656 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -12.143 1.777 -5.586 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -13.068 1.362 -4.157 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -13.242 3.254 -7.228 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -15.003 3.155 -7.328 1.00 0.00 H new ATOM 1081 N ASN A 71 -9.564 2.321 -1.840 1.00 0.00 N ATOM 1082 CA ASN A 71 -9.013 2.235 -0.492 1.00 0.00 C ATOM 1083 C ASN A 71 -7.575 2.690 -0.458 1.00 0.00 C ATOM 1084 O ASN A 71 -7.075 3.286 0.501 1.00 0.00 O ATOM 1085 CB ASN A 71 -9.126 0.748 -0.037 1.00 0.00 C ATOM 1086 CG ASN A 71 -10.536 0.249 0.304 1.00 0.00 C ATOM 1087 OD1 ASN A 71 -11.459 0.352 -0.620 1.00 0.00 O flip ATOM 1088 ND2 ASN A 71 -10.843 -0.217 1.389 1.00 0.00 N flip ATOM 0 H ASN A 71 -9.208 1.581 -2.444 1.00 0.00 H new ATOM 0 HA ASN A 71 -9.568 2.889 0.180 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -8.721 0.116 -0.827 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -8.492 0.609 0.839 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -10.140 -0.306 2.123 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -11.802 -0.517 1.562 1.00 0.00 H new ATOM 1095 N ALA A 72 -6.863 2.378 -1.534 1.00 0.00 N ATOM 1096 CA ALA A 72 -5.425 2.601 -1.631 1.00 0.00 C ATOM 1097 C ALA A 72 -5.076 4.045 -1.363 1.00 0.00 C ATOM 1098 O ALA A 72 -5.911 4.955 -1.381 1.00 0.00 O ATOM 1099 CB ALA A 72 -4.971 2.134 -3.028 1.00 0.00 C ATOM 0 H ALA A 72 -7.270 1.960 -2.371 1.00 0.00 H new ATOM 0 HA ALA A 72 -4.897 2.026 -0.871 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -3.897 2.288 -3.132 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -5.199 1.075 -3.150 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -5.496 2.708 -3.792 1.00 0.00 H new ATOM 1105 N ALA A 73 -3.801 4.272 -1.077 1.00 0.00 N ATOM 1106 CA ALA A 73 -3.250 5.612 -0.906 1.00 0.00 C ATOM 1107 C ALA A 73 -2.265 5.937 -2.005 1.00 0.00 C ATOM 1108 O ALA A 73 -2.198 5.264 -3.040 1.00 0.00 O ATOM 1109 CB ALA A 73 -2.620 5.681 0.496 1.00 0.00 C ATOM 0 H ALA A 73 -3.114 3.527 -0.956 1.00 0.00 H new ATOM 0 HA ALA A 73 -4.033 6.366 -0.982 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -2.197 6.673 0.657 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -3.384 5.486 1.248 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -1.831 4.933 0.578 1.00 0.00 H new ATOM 1115 N ILE A 74 -1.463 6.964 -1.789 1.00 0.00 N ATOM 1116 CA ILE A 74 -0.549 7.463 -2.814 1.00 0.00 C ATOM 1117 C ILE A 74 0.727 7.987 -2.197 1.00 0.00 C ATOM 1118 O ILE A 74 0.737 8.549 -1.096 1.00 0.00 O ATOM 1119 CB ILE A 74 -1.249 8.547 -3.731 1.00 0.00 C ATOM 1120 CG1 ILE A 74 -1.860 7.983 -5.054 1.00 0.00 C ATOM 1121 CG2 ILE A 74 -0.302 9.730 -4.100 1.00 0.00 C ATOM 1122 CD1 ILE A 74 -2.196 9.023 -6.141 1.00 0.00 C ATOM 0 H ILE A 74 -1.423 7.476 -0.908 1.00 0.00 H new ATOM 0 HA ILE A 74 -0.278 6.626 -3.458 1.00 0.00 H new ATOM 0 HB ILE A 74 -2.067 8.904 -3.105 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -1.161 7.260 -5.475 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -2.771 7.438 -4.807 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -0.837 10.441 -4.730 1.00 0.00 H new ATOM 0 HG22 ILE A 74 0.029 10.229 -3.189 1.00 0.00 H new ATOM 0 HG23 ILE A 74 0.564 9.348 -4.640 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -2.613 8.517 -7.012 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -2.924 9.734 -5.751 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -1.289 9.554 -6.430 1.00 0.00 H new ATOM 1134 N GLU A 75 1.826 7.830 -2.912 1.00 0.00 N ATOM 1135 CA GLU A 75 3.143 8.224 -2.419 1.00 0.00 C ATOM 1136 C GLU A 75 4.141 8.314 -3.549 1.00 0.00 C ATOM 1137 O GLU A 75 3.970 7.718 -4.619 1.00 0.00 O ATOM 1138 CB GLU A 75 3.597 7.193 -1.347 1.00 0.00 C ATOM 1139 CG GLU A 75 4.943 7.478 -0.603 1.00 0.00 C ATOM 1140 CD GLU A 75 4.925 8.442 0.585 1.00 0.00 C ATOM 1141 OE1 GLU A 75 3.752 8.435 1.278 1.00 0.00 O ATOM 1142 OE2 GLU A 75 5.876 9.152 0.883 1.00 0.00 O ATOM 0 H GLU A 75 1.836 7.427 -3.849 1.00 0.00 H new ATOM 0 HA GLU A 75 3.085 9.215 -1.969 1.00 0.00 H new ATOM 0 HB2 GLU A 75 2.808 7.114 -0.599 1.00 0.00 H new ATOM 0 HB3 GLU A 75 3.678 6.219 -1.829 1.00 0.00 H new ATOM 0 HG2 GLU A 75 5.337 6.524 -0.251 1.00 0.00 H new ATOM 0 HG3 GLU A 75 5.652 7.865 -1.335 1.00 0.00 H new ATOM 1149 N ILE A 76 5.195 9.080 -3.336 1.00 0.00 N ATOM 1150 CA ILE A 76 6.190 9.348 -4.371 1.00 0.00 C ATOM 1151 C ILE A 76 7.515 8.712 -4.026 1.00 0.00 C ATOM 1152 O ILE A 76 7.773 8.319 -2.882 1.00 0.00 O ATOM 1153 CB ILE A 76 6.338 10.900 -4.643 1.00 0.00 C ATOM 1154 CG1 ILE A 76 4.989 11.658 -4.868 1.00 0.00 C ATOM 1155 CG2 ILE A 76 7.276 11.215 -5.850 1.00 0.00 C ATOM 1156 CD1 ILE A 76 5.081 12.971 -5.672 1.00 0.00 C ATOM 0 H ILE A 76 5.390 9.535 -2.444 1.00 0.00 H new ATOM 0 HA ILE A 76 5.839 8.893 -5.297 1.00 0.00 H new ATOM 0 HB ILE A 76 6.780 11.266 -3.716 1.00 0.00 H new ATOM 0 HG12 ILE A 76 4.299 10.988 -5.381 1.00 0.00 H new ATOM 0 HG13 ILE A 76 4.553 11.880 -3.894 1.00 0.00 H new ATOM 0 HG21 ILE A 76 7.340 12.294 -5.989 1.00 0.00 H new ATOM 0 HG22 ILE A 76 8.271 10.815 -5.652 1.00 0.00 H new ATOM 0 HG23 ILE A 76 6.874 10.756 -6.753 1.00 0.00 H new ATOM 0 HD11 ILE A 76 4.088 13.410 -5.766 1.00 0.00 H new ATOM 0 HD12 ILE A 76 5.739 13.669 -5.155 1.00 0.00 H new ATOM 0 HD13 ILE A 76 5.481 12.763 -6.664 1.00 0.00 H new ATOM 1168 N ALA A 77 8.387 8.607 -5.013 1.00 0.00 N ATOM 1169 CA ALA A 77 9.754 8.145 -4.792 1.00 0.00 C ATOM 1170 C ALA A 77 10.509 9.105 -3.903 1.00 0.00 C ATOM 1171 O ALA A 77 10.125 10.271 -3.733 1.00 0.00 O ATOM 1172 CB ALA A 77 10.415 7.962 -6.169 1.00 0.00 C ATOM 0 H ALA A 77 8.174 8.836 -5.984 1.00 0.00 H new ATOM 0 HA ALA A 77 9.762 7.190 -4.267 1.00 0.00 H new ATOM 0 HB1 ALA A 77 11.440 7.616 -6.037 1.00 0.00 H new ATOM 0 HB2 ALA A 77 9.855 7.226 -6.746 1.00 0.00 H new ATOM 0 HB3 ALA A 77 10.418 8.914 -6.700 1.00 0.00 H new ATOM 1236 N LYS A 82 17.510 5.514 -9.207 1.00 0.00 N ATOM 1237 CA LYS A 82 16.731 4.892 -10.274 1.00 0.00 C ATOM 1238 C LYS A 82 15.370 4.498 -9.735 1.00 0.00 C ATOM 1239 O LYS A 82 15.273 3.846 -8.690 1.00 0.00 O ATOM 1240 CB LYS A 82 17.465 3.657 -10.864 1.00 0.00 C ATOM 1241 CG LYS A 82 16.501 2.569 -11.401 1.00 0.00 C ATOM 1242 CD LYS A 82 17.119 1.597 -12.409 1.00 0.00 C ATOM 1243 CE LYS A 82 16.672 0.168 -12.071 1.00 0.00 C ATOM 1244 NZ LYS A 82 17.395 -0.787 -12.928 1.00 0.00 N ATOM 0 HA LYS A 82 16.607 5.612 -11.083 1.00 0.00 H new ATOM 0 HB2 LYS A 82 18.119 3.984 -11.672 1.00 0.00 H new ATOM 0 HB3 LYS A 82 18.102 3.220 -10.095 1.00 0.00 H new ATOM 0 HG2 LYS A 82 16.116 1.997 -10.557 1.00 0.00 H new ATOM 0 HG3 LYS A 82 15.648 3.060 -11.869 1.00 0.00 H new ATOM 0 HD2 LYS A 82 16.809 1.858 -13.421 1.00 0.00 H new ATOM 0 HD3 LYS A 82 18.206 1.667 -12.380 1.00 0.00 H new ATOM 0 HE2 LYS A 82 16.869 -0.048 -11.021 1.00 0.00 H new ATOM 0 HE3 LYS A 82 15.597 0.066 -12.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 17.093 -1.756 -12.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 17.185 -0.585 -13.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 18.418 -0.696 -12.764 1.00 0.00 H new ATOM 1258 N LYS A 83 14.322 4.908 -10.416 1.00 0.00 N ATOM 1259 CA LYS A 83 12.936 4.809 -9.964 1.00 0.00 C ATOM 1260 C LYS A 83 12.585 5.999 -9.097 1.00 0.00 C ATOM 1261 O LYS A 83 11.431 6.155 -8.662 1.00 0.00 O ATOM 1262 CB LYS A 83 12.661 3.487 -9.192 1.00 0.00 C ATOM 1263 CG LYS A 83 13.140 2.227 -9.954 1.00 0.00 C ATOM 1264 CD LYS A 83 12.437 0.926 -9.561 1.00 0.00 C ATOM 1265 CE LYS A 83 13.408 -0.250 -9.727 1.00 0.00 C ATOM 1266 NZ LYS A 83 13.247 -0.832 -11.072 1.00 0.00 N ATOM 0 H LYS A 83 14.407 5.338 -11.337 1.00 0.00 H new ATOM 0 HA LYS A 83 12.305 4.804 -10.853 1.00 0.00 H new ATOM 0 HB2 LYS A 83 13.158 3.529 -8.223 1.00 0.00 H new ATOM 0 HB3 LYS A 83 11.592 3.402 -8.998 1.00 0.00 H new ATOM 0 HG2 LYS A 83 12.997 2.391 -11.022 1.00 0.00 H new ATOM 0 HG3 LYS A 83 14.211 2.107 -9.790 1.00 0.00 H new ATOM 0 HD2 LYS A 83 12.092 0.984 -8.529 1.00 0.00 H new ATOM 0 HD3 LYS A 83 11.555 0.774 -10.183 1.00 0.00 H new ATOM 0 HE2 LYS A 83 14.434 0.089 -9.586 1.00 0.00 H new ATOM 0 HE3 LYS A 83 13.214 -1.006 -8.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 13.905 -1.630 -11.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 12.270 -1.169 -11.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 13.452 -0.108 -11.790 1.00 0.00 H new ATOM 1280 N LYS A 84 13.529 6.888 -8.827 1.00 0.00 N ATOM 1281 CA LYS A 84 13.230 8.162 -8.153 1.00 0.00 C ATOM 1282 C LYS A 84 12.424 9.149 -8.986 1.00 0.00 C ATOM 1283 O LYS A 84 12.184 10.299 -8.613 1.00 0.00 O ATOM 1284 CB LYS A 84 14.573 8.824 -7.733 1.00 0.00 C ATOM 1285 CG LYS A 84 14.563 9.574 -6.382 1.00 0.00 C ATOM 1286 CD LYS A 84 15.459 10.820 -6.337 1.00 0.00 C ATOM 1287 CE LYS A 84 14.639 12.057 -6.729 1.00 0.00 C ATOM 1288 NZ LYS A 84 15.422 12.896 -7.654 1.00 0.00 N ATOM 0 H LYS A 84 14.513 6.759 -9.061 1.00 0.00 H new ATOM 0 HA LYS A 84 12.603 7.919 -7.295 1.00 0.00 H new ATOM 0 HB2 LYS A 84 15.340 8.050 -7.691 1.00 0.00 H new ATOM 0 HB3 LYS A 84 14.870 9.525 -8.513 1.00 0.00 H new ATOM 0 HG2 LYS A 84 13.539 9.870 -6.153 1.00 0.00 H new ATOM 0 HG3 LYS A 84 14.879 8.887 -5.597 1.00 0.00 H new ATOM 0 HD2 LYS A 84 15.873 10.947 -5.337 1.00 0.00 H new ATOM 0 HD3 LYS A 84 16.302 10.699 -7.017 1.00 0.00 H new ATOM 0 HE2 LYS A 84 13.705 11.752 -7.201 1.00 0.00 H new ATOM 0 HE3 LYS A 84 14.375 12.628 -5.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 14.865 13.734 -7.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 16.302 13.198 -7.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 15.652 12.349 -8.508 1.00 0.00 H new ATOM 1302 N HIS A 85 11.981 8.673 -10.132 1.00 0.00 N ATOM 1303 CA HIS A 85 11.057 9.378 -11.011 1.00 0.00 C ATOM 1304 C HIS A 85 9.749 8.622 -11.113 1.00 0.00 C ATOM 1305 O HIS A 85 9.037 8.688 -12.121 1.00 0.00 O ATOM 1306 CB HIS A 85 11.751 9.457 -12.382 1.00 0.00 C ATOM 1307 CG HIS A 85 13.204 9.822 -12.273 1.00 0.00 C ATOM 1308 ND1 HIS A 85 14.198 8.903 -11.969 1.00 0.00 N flip ATOM 1309 CD2 HIS A 85 13.730 11.100 -12.460 1.00 0.00 C flip ATOM 1310 CE1 HIS A 85 15.398 9.566 -11.952 1.00 0.00 C flip ATOM 1311 NE2 HIS A 85 15.035 10.843 -12.251 1.00 0.00 N flip ATOM 0 H HIS A 85 12.259 7.760 -10.492 1.00 0.00 H new ATOM 0 HA HIS A 85 10.821 10.372 -10.632 1.00 0.00 H new ATOM 0 HB2 HIS A 85 11.658 8.496 -12.888 1.00 0.00 H new ATOM 0 HB3 HIS A 85 11.240 10.194 -13.002 1.00 0.00 H new ATOM 0 HD2 HIS A 85 13.234 12.028 -12.702 1.00 0.00 H new ATOM 0 HE1 HIS A 85 16.384 9.173 -11.752 1.00 0.00 H new ATOM 0 HE2 HIS A 85 15.732 11.585 -12.315 1.00 0.00 H new ATOM 1319 N VAL A 86 9.420 7.867 -10.077 1.00 0.00 N ATOM 1320 CA VAL A 86 8.261 6.974 -10.099 1.00 0.00 C ATOM 1321 C VAL A 86 7.226 7.390 -9.078 1.00 0.00 C ATOM 1322 O VAL A 86 7.507 8.109 -8.113 1.00 0.00 O ATOM 1323 CB VAL A 86 8.714 5.483 -9.843 1.00 0.00 C ATOM 1324 CG1 VAL A 86 8.952 5.087 -8.354 1.00 0.00 C ATOM 1325 CG2 VAL A 86 7.733 4.424 -10.406 1.00 0.00 C ATOM 0 H VAL A 86 9.941 7.852 -9.201 1.00 0.00 H new ATOM 0 HA VAL A 86 7.804 7.042 -11.086 1.00 0.00 H new ATOM 0 HB VAL A 86 9.665 5.475 -10.375 1.00 0.00 H new ATOM 0 HG11 VAL A 86 9.259 4.043 -8.300 1.00 0.00 H new ATOM 0 HG12 VAL A 86 9.734 5.717 -7.930 1.00 0.00 H new ATOM 0 HG13 VAL A 86 8.030 5.224 -7.789 1.00 0.00 H new ATOM 0 HG21 VAL A 86 8.113 3.425 -10.191 1.00 0.00 H new ATOM 0 HG22 VAL A 86 6.756 4.549 -9.939 1.00 0.00 H new ATOM 0 HG23 VAL A 86 7.639 4.552 -11.484 1.00 0.00 H new ATOM 1335 N LEU A 87 6.000 6.954 -9.295 1.00 0.00 N ATOM 1336 CA LEU A 87 4.919 7.129 -8.327 1.00 0.00 C ATOM 1337 C LEU A 87 4.671 5.848 -7.566 1.00 0.00 C ATOM 1338 O LEU A 87 5.308 4.813 -7.807 1.00 0.00 O ATOM 1339 CB LEU A 87 3.621 7.627 -9.029 1.00 0.00 C ATOM 1340 CG LEU A 87 3.710 7.963 -10.545 1.00 0.00 C ATOM 1341 CD1 LEU A 87 2.305 8.166 -11.126 1.00 0.00 C ATOM 1342 CD2 LEU A 87 4.575 9.203 -10.826 1.00 0.00 C ATOM 0 H LEU A 87 5.719 6.467 -10.146 1.00 0.00 H new ATOM 0 HA LEU A 87 5.223 7.892 -7.610 1.00 0.00 H new ATOM 0 HB2 LEU A 87 2.853 6.864 -8.898 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.277 8.519 -8.506 1.00 0.00 H new ATOM 0 HG LEU A 87 4.192 7.114 -11.030 1.00 0.00 H new ATOM 0 HD11 LEU A 87 2.381 8.401 -12.188 1.00 0.00 H new ATOM 0 HD12 LEU A 87 1.722 7.254 -10.997 1.00 0.00 H new ATOM 0 HD13 LEU A 87 1.812 8.988 -10.607 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.603 9.392 -11.899 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.149 10.067 -10.316 1.00 0.00 H new ATOM 0 HD23 LEU A 87 5.588 9.030 -10.462 1.00 0.00 H new ATOM 1354 N ARG A 88 3.758 5.893 -6.614 1.00 0.00 N ATOM 1355 CA ARG A 88 3.440 4.727 -5.793 1.00 0.00 C ATOM 1356 C ARG A 88 2.066 4.851 -5.179 1.00 0.00 C ATOM 1357 O ARG A 88 1.861 5.594 -4.205 1.00 0.00 O ATOM 1358 CB ARG A 88 4.533 4.577 -4.700 1.00 0.00 C ATOM 1359 CG ARG A 88 5.932 4.156 -5.219 1.00 0.00 C ATOM 1360 CD ARG A 88 7.022 4.166 -4.135 1.00 0.00 C ATOM 1361 NE ARG A 88 6.437 3.617 -2.887 1.00 0.00 N ATOM 1362 CZ ARG A 88 6.970 2.694 -2.099 1.00 0.00 C ATOM 1363 NH1 ARG A 88 8.119 2.124 -2.309 1.00 0.00 N ATOM 1364 NH2 ARG A 88 6.300 2.342 -1.058 1.00 0.00 N ATOM 0 H ARG A 88 3.218 6.727 -6.385 1.00 0.00 H new ATOM 0 HA ARG A 88 3.427 3.834 -6.418 1.00 0.00 H new ATOM 0 HB2 ARG A 88 4.629 5.526 -4.172 1.00 0.00 H new ATOM 0 HB3 ARG A 88 4.197 3.840 -3.971 1.00 0.00 H new ATOM 0 HG2 ARG A 88 5.865 3.155 -5.646 1.00 0.00 H new ATOM 0 HG3 ARG A 88 6.228 4.827 -6.025 1.00 0.00 H new ATOM 0 HD2 ARG A 88 7.877 3.568 -4.450 1.00 0.00 H new ATOM 0 HD3 ARG A 88 7.386 5.180 -3.971 1.00 0.00 H new ATOM 0 HE ARG A 88 5.530 3.989 -2.606 1.00 0.00 H new ATOM 0 HH11 ARG A 88 8.674 2.381 -3.125 1.00 0.00 H new ATOM 0 HH12 ARG A 88 8.466 1.420 -1.657 1.00 0.00 H new ATOM 0 HH21 ARG A 88 5.394 2.770 -0.865 1.00 0.00 H new ATOM 0 HH22 ARG A 88 6.675 1.635 -0.426 1.00 0.00 H new ATOM 1378 N VAL A 89 1.090 4.152 -5.729 1.00 0.00 N ATOM 1379 CA VAL A 89 -0.240 4.089 -5.124 1.00 0.00 C ATOM 1380 C VAL A 89 -0.392 2.802 -4.337 1.00 0.00 C ATOM 1381 O VAL A 89 -0.651 1.703 -4.837 1.00 0.00 O ATOM 1382 CB VAL A 89 -1.341 4.271 -6.248 1.00 0.00 C ATOM 1383 CG1 VAL A 89 -1.967 2.976 -6.848 1.00 0.00 C ATOM 1384 CG2 VAL A 89 -2.542 5.141 -5.799 1.00 0.00 C ATOM 0 H VAL A 89 1.187 3.618 -6.593 1.00 0.00 H new ATOM 0 HA VAL A 89 -0.374 4.903 -4.412 1.00 0.00 H new ATOM 0 HB VAL A 89 -0.738 4.752 -7.018 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -2.704 3.245 -7.605 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.184 2.371 -7.304 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.452 2.405 -6.056 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -3.257 5.224 -6.617 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -3.026 4.677 -4.940 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -2.189 6.135 -5.524 1.00 0.00 H new ATOM 1394 N LYS A 90 -0.190 2.927 -3.028 1.00 0.00 N ATOM 1395 CA LYS A 90 -0.127 1.795 -2.107 1.00 0.00 C ATOM 1396 C LYS A 90 -1.502 1.324 -1.695 1.00 0.00 C ATOM 1397 O LYS A 90 -2.508 2.020 -1.864 1.00 0.00 O ATOM 1398 CB LYS A 90 0.707 2.202 -0.859 1.00 0.00 C ATOM 1399 CG LYS A 90 1.813 1.185 -0.482 1.00 0.00 C ATOM 1400 CD LYS A 90 2.965 1.766 0.343 1.00 0.00 C ATOM 1401 CE LYS A 90 2.399 2.424 1.608 1.00 0.00 C ATOM 1402 NZ LYS A 90 2.202 1.398 2.647 1.00 0.00 N ATOM 0 H LYS A 90 -0.064 3.830 -2.571 1.00 0.00 H new ATOM 0 HA LYS A 90 0.353 0.961 -2.619 1.00 0.00 H new ATOM 0 HB2 LYS A 90 1.168 3.173 -1.043 1.00 0.00 H new ATOM 0 HB3 LYS A 90 0.035 2.324 -0.010 1.00 0.00 H new ATOM 0 HG2 LYS A 90 1.360 0.367 0.078 1.00 0.00 H new ATOM 0 HG3 LYS A 90 2.220 0.756 -1.398 1.00 0.00 H new ATOM 0 HD2 LYS A 90 3.669 0.978 0.612 1.00 0.00 H new ATOM 0 HD3 LYS A 90 3.517 2.498 -0.246 1.00 0.00 H new ATOM 0 HE2 LYS A 90 3.081 3.194 1.967 1.00 0.00 H new ATOM 0 HE3 LYS A 90 1.453 2.916 1.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 1.818 1.842 3.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 1.535 0.678 2.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 3.113 0.948 2.868 1.00 0.00 H new ATOM 1416 N LEU A 91 -1.556 0.136 -1.119 1.00 0.00 N ATOM 1417 CA LEU A 91 -2.795 -0.425 -0.584 1.00 0.00 C ATOM 1418 C LEU A 91 -2.722 -0.562 0.918 1.00 0.00 C ATOM 1419 O LEU A 91 -1.688 -0.311 1.549 1.00 0.00 O ATOM 1420 CB LEU A 91 -3.112 -1.797 -1.246 1.00 0.00 C ATOM 1421 CG LEU A 91 -4.039 -1.823 -2.493 1.00 0.00 C ATOM 1422 CD1 LEU A 91 -4.772 -3.166 -2.657 1.00 0.00 C ATOM 1423 CD2 LEU A 91 -5.065 -0.685 -2.419 1.00 0.00 C ATOM 0 H LEU A 91 -0.744 -0.471 -1.006 1.00 0.00 H new ATOM 0 HA LEU A 91 -3.605 0.264 -0.822 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -2.164 -2.256 -1.528 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -3.561 -2.436 -0.486 1.00 0.00 H new ATOM 0 HG LEU A 91 -3.397 -1.689 -3.364 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -5.405 -3.129 -3.543 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -4.042 -3.968 -2.766 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -5.389 -3.354 -1.778 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -5.707 -0.716 -3.299 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -5.673 -0.801 -1.522 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -4.545 0.272 -2.383 1.00 0.00 H new ATOM 1435 N ALA A 92 -3.818 -0.989 1.520 1.00 0.00 N ATOM 1436 CA ALA A 92 -3.839 -1.299 2.948 1.00 0.00 C ATOM 1437 C ALA A 92 -3.642 -2.777 3.201 1.00 0.00 C ATOM 1438 O ALA A 92 -3.956 -3.282 4.295 1.00 0.00 O ATOM 1439 CB ALA A 92 -5.170 -0.775 3.514 1.00 0.00 C ATOM 0 H ALA A 92 -4.710 -1.131 1.045 1.00 0.00 H new ATOM 0 HA ALA A 92 -3.009 -0.810 3.457 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -5.221 -0.989 4.581 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -5.233 0.302 3.357 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -6.000 -1.265 3.005 1.00 0.00 H new ATOM 1445 N ASN A 93 -3.108 -3.504 2.239 1.00 0.00 N ATOM 1446 CA ASN A 93 -2.955 -4.955 2.359 1.00 0.00 C ATOM 1447 C ASN A 93 -1.499 -5.350 2.306 1.00 0.00 C ATOM 1448 O ASN A 93 -1.048 -6.269 3.003 1.00 0.00 O ATOM 1449 CB ASN A 93 -3.759 -5.663 1.228 1.00 0.00 C ATOM 1450 CG ASN A 93 -3.125 -5.686 -0.167 1.00 0.00 C ATOM 1451 OD1 ASN A 93 -2.914 -4.666 -0.806 1.00 0.00 O ATOM 1452 ND2 ASN A 93 -2.801 -6.838 -0.691 1.00 0.00 N ATOM 0 H ASN A 93 -2.769 -3.118 1.358 1.00 0.00 H new ATOM 0 HA ASN A 93 -3.349 -5.270 3.325 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -3.940 -6.693 1.535 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -4.732 -5.178 1.150 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -2.379 -6.876 -1.619 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -2.970 -7.700 -0.172 1.00 0.00 H new ATOM 1459 N GLY A 94 -0.730 -4.669 1.476 1.00 0.00 N ATOM 1460 CA GLY A 94 0.715 -4.868 1.426 1.00 0.00 C ATOM 1461 C GLY A 94 1.290 -4.493 0.082 1.00 0.00 C ATOM 1462 O GLY A 94 2.449 -4.063 -0.028 1.00 0.00 O ATOM 0 H GLY A 94 -1.080 -3.969 0.822 1.00 0.00 H new ATOM 0 HA2 GLY A 94 1.191 -4.270 2.204 1.00 0.00 H new ATOM 0 HA3 GLY A 94 0.945 -5.912 1.641 1.00 0.00 H new ATOM 1466 N ALA A 95 0.512 -4.652 -0.972 1.00 0.00 N ATOM 1467 CA ALA A 95 1.009 -4.458 -2.333 1.00 0.00 C ATOM 1468 C ALA A 95 0.922 -3.008 -2.748 1.00 0.00 C ATOM 1469 O ALA A 95 0.214 -2.196 -2.142 1.00 0.00 O ATOM 1470 CB ALA A 95 0.205 -5.389 -3.257 1.00 0.00 C ATOM 0 H ALA A 95 -0.472 -4.916 -0.918 1.00 0.00 H new ATOM 0 HA ALA A 95 2.067 -4.713 -2.397 1.00 0.00 H new ATOM 0 HB1 ALA A 95 0.551 -5.270 -4.284 1.00 0.00 H new ATOM 0 HB2 ALA A 95 0.347 -6.423 -2.944 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -0.853 -5.134 -3.199 1.00 0.00 H new ATOM 1476 N LEU A 96 1.633 -2.664 -3.807 1.00 0.00 N ATOM 1477 CA LEU A 96 1.682 -1.289 -4.300 1.00 0.00 C ATOM 1478 C LEU A 96 1.518 -1.236 -5.802 1.00 0.00 C ATOM 1479 O LEU A 96 1.638 -2.250 -6.502 1.00 0.00 O ATOM 1480 CB LEU A 96 3.010 -0.606 -3.865 1.00 0.00 C ATOM 1481 CG LEU A 96 3.747 -1.172 -2.621 1.00 0.00 C ATOM 1482 CD1 LEU A 96 4.451 -2.489 -2.977 1.00 0.00 C ATOM 1483 CD2 LEU A 96 4.769 -0.184 -2.033 1.00 0.00 C ATOM 0 H LEU A 96 2.192 -3.322 -4.351 1.00 0.00 H new ATOM 0 HA LEU A 96 0.848 -0.742 -3.859 1.00 0.00 H new ATOM 0 HB2 LEU A 96 3.699 -0.647 -4.709 1.00 0.00 H new ATOM 0 HB3 LEU A 96 2.798 0.447 -3.678 1.00 0.00 H new ATOM 0 HG LEU A 96 2.988 -1.346 -1.859 1.00 0.00 H new ATOM 0 HD11 LEU A 96 4.964 -2.877 -2.097 1.00 0.00 H new ATOM 0 HD12 LEU A 96 3.713 -3.216 -3.316 1.00 0.00 H new ATOM 0 HD13 LEU A 96 5.176 -2.311 -3.771 1.00 0.00 H new ATOM 0 HD21 LEU A 96 5.253 -0.634 -1.166 1.00 0.00 H new ATOM 0 HD22 LEU A 96 5.521 0.053 -2.786 1.00 0.00 H new ATOM 0 HD23 LEU A 96 4.259 0.730 -1.730 1.00 0.00 H new ATOM 1495 N PHE A 97 1.216 -0.062 -6.334 1.00 0.00 N ATOM 1496 CA PHE A 97 1.174 0.133 -7.782 1.00 0.00 C ATOM 1497 C PHE A 97 1.961 1.362 -8.178 1.00 0.00 C ATOM 1498 O PHE A 97 1.446 2.478 -8.299 1.00 0.00 O ATOM 1499 CB PHE A 97 -0.307 0.268 -8.262 1.00 0.00 C ATOM 1500 CG PHE A 97 -1.215 -0.911 -7.875 1.00 0.00 C ATOM 1501 CD1 PHE A 97 -1.141 -2.123 -8.569 1.00 0.00 C ATOM 1502 CD2 PHE A 97 -2.073 -0.798 -6.776 1.00 0.00 C ATOM 1503 CE1 PHE A 97 -1.886 -3.219 -8.141 1.00 0.00 C ATOM 1504 CE2 PHE A 97 -2.817 -1.894 -6.351 1.00 0.00 C ATOM 1505 CZ PHE A 97 -2.731 -3.101 -7.040 1.00 0.00 C ATOM 0 H PHE A 97 0.996 0.772 -5.789 1.00 0.00 H new ATOM 0 HA PHE A 97 1.626 -0.736 -8.260 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -0.727 1.184 -7.848 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -0.315 0.375 -9.347 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -0.505 -2.209 -9.438 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -2.158 0.144 -6.255 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -1.809 -4.161 -8.663 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -3.460 -1.809 -5.488 1.00 0.00 H new ATOM 0 HZ PHE A 97 -3.321 -3.947 -6.720 1.00 0.00 H new ATOM 1515 N LEU A 98 3.259 1.167 -8.364 1.00 0.00 N ATOM 1516 CA LEU A 98 4.194 2.247 -8.668 1.00 0.00 C ATOM 1517 C LEU A 98 4.249 2.512 -10.153 1.00 0.00 C ATOM 1518 O LEU A 98 3.996 1.591 -10.961 1.00 0.00 O ATOM 1519 CB LEU A 98 5.609 1.913 -8.113 1.00 0.00 C ATOM 1520 CG LEU A 98 5.733 1.476 -6.628 1.00 0.00 C ATOM 1521 CD1 LEU A 98 5.327 0.003 -6.476 1.00 0.00 C ATOM 1522 CD2 LEU A 98 7.152 1.680 -6.068 1.00 0.00 C ATOM 0 H LEU A 98 3.699 0.248 -8.308 1.00 0.00 H new ATOM 0 HA LEU A 98 3.838 3.154 -8.180 1.00 0.00 H new ATOM 0 HB2 LEU A 98 6.029 1.118 -8.730 1.00 0.00 H new ATOM 0 HB3 LEU A 98 6.238 2.792 -8.254 1.00 0.00 H new ATOM 0 HG LEU A 98 5.060 2.112 -6.053 1.00 0.00 H new ATOM 0 HD11 LEU A 98 5.418 -0.293 -5.431 1.00 0.00 H new ATOM 0 HD12 LEU A 98 4.295 -0.125 -6.801 1.00 0.00 H new ATOM 0 HD13 LEU A 98 5.980 -0.619 -7.088 1.00 0.00 H new ATOM 0 HD21 LEU A 98 7.182 1.358 -5.027 1.00 0.00 H new ATOM 0 HD22 LEU A 98 7.861 1.091 -6.650 1.00 0.00 H new ATOM 0 HD23 LEU A 98 7.419 2.735 -6.130 1.00 0.00 H new ATOM 1534 N LEU A 99 4.590 3.720 -10.574 1.00 0.00 N ATOM 1535 CA LEU A 99 4.503 4.075 -11.993 1.00 0.00 C ATOM 1536 C LEU A 99 5.737 4.800 -12.476 1.00 0.00 C ATOM 1537 O LEU A 99 6.030 5.927 -12.041 1.00 0.00 O ATOM 1538 CB LEU A 99 3.233 4.936 -12.254 1.00 0.00 C ATOM 1539 CG LEU A 99 2.091 4.899 -11.201 1.00 0.00 C ATOM 1540 CD1 LEU A 99 0.858 5.716 -11.617 1.00 0.00 C ATOM 1541 CD2 LEU A 99 1.674 3.455 -10.901 1.00 0.00 C ATOM 0 H LEU A 99 4.926 4.467 -9.967 1.00 0.00 H new ATOM 0 HA LEU A 99 4.432 3.146 -12.558 1.00 0.00 H new ATOM 0 HB2 LEU A 99 3.551 5.973 -12.364 1.00 0.00 H new ATOM 0 HB3 LEU A 99 2.813 4.628 -13.211 1.00 0.00 H new ATOM 0 HG LEU A 99 2.497 5.361 -10.301 1.00 0.00 H new ATOM 0 HD11 LEU A 99 0.098 5.649 -10.839 1.00 0.00 H new ATOM 0 HD12 LEU A 99 1.143 6.759 -11.757 1.00 0.00 H new ATOM 0 HD13 LEU A 99 0.458 5.321 -12.551 1.00 0.00 H new ATOM 0 HD21 LEU A 99 0.873 3.454 -10.161 1.00 0.00 H new ATOM 0 HD22 LEU A 99 1.323 2.980 -11.817 1.00 0.00 H new ATOM 0 HD23 LEU A 99 2.529 2.903 -10.511 1.00 0.00 H new ATOM 1553 N GLN A 100 6.476 4.204 -13.392 1.00 0.00 N ATOM 1554 CA GLN A 100 7.594 4.883 -14.045 1.00 0.00 C ATOM 1555 C GLN A 100 7.268 5.150 -15.496 1.00 0.00 C ATOM 1556 O GLN A 100 7.448 4.291 -16.370 1.00 0.00 O ATOM 1557 CB GLN A 100 8.868 4.019 -13.913 1.00 0.00 C ATOM 1558 CG GLN A 100 10.188 4.663 -14.459 1.00 0.00 C ATOM 1559 CD GLN A 100 11.506 3.886 -14.369 1.00 0.00 C ATOM 1560 OE1 GLN A 100 11.655 2.822 -14.949 1.00 0.00 O ATOM 1561 NE2 GLN A 100 12.507 4.374 -13.680 1.00 0.00 N ATOM 0 H GLN A 100 6.326 3.245 -13.707 1.00 0.00 H new ATOM 0 HA GLN A 100 7.771 5.843 -13.560 1.00 0.00 H new ATOM 0 HB2 GLN A 100 9.013 3.777 -12.860 1.00 0.00 H new ATOM 0 HB3 GLN A 100 8.702 3.078 -14.437 1.00 0.00 H new ATOM 0 HG2 GLN A 100 10.023 4.903 -15.509 1.00 0.00 H new ATOM 0 HG3 GLN A 100 10.331 5.608 -13.934 1.00 0.00 H new ATOM 0 HE21 GLN A 100 12.403 5.262 -13.188 1.00 0.00 H new ATOM 0 HE22 GLN A 100 13.391 3.867 -13.635 1.00 0.00 H new ATOM 1570 N ALA A 101 6.777 6.341 -15.786 1.00 0.00 N ATOM 1571 CA ALA A 101 6.278 6.658 -17.122 1.00 0.00 C ATOM 1572 C ALA A 101 7.401 6.976 -18.085 1.00 0.00 C ATOM 1573 O ALA A 101 8.590 6.977 -17.749 1.00 0.00 O ATOM 1574 CB ALA A 101 5.278 7.819 -16.978 1.00 0.00 C ATOM 0 H ALA A 101 6.711 7.109 -15.118 1.00 0.00 H new ATOM 0 HA ALA A 101 5.775 5.792 -17.553 1.00 0.00 H new ATOM 0 HB1 ALA A 101 4.884 8.083 -17.959 1.00 0.00 H new ATOM 0 HB2 ALA A 101 4.458 7.514 -16.327 1.00 0.00 H new ATOM 0 HB3 ALA A 101 5.783 8.683 -16.545 1.00 0.00 H new ATOM 1580 N HIS A 102 7.023 7.232 -19.323 1.00 0.00 N ATOM 1581 CA HIS A 102 7.963 7.394 -20.428 1.00 0.00 C ATOM 1582 C HIS A 102 8.436 8.818 -20.595 1.00 0.00 C ATOM 1583 O HIS A 102 9.646 9.078 -20.751 1.00 0.00 O ATOM 1584 CB HIS A 102 7.189 6.960 -21.691 1.00 0.00 C ATOM 1585 CG HIS A 102 8.005 7.057 -22.946 1.00 0.00 C ATOM 1586 ND1 HIS A 102 9.183 7.783 -23.100 1.00 0.00 N ATOM 1587 CD2 HIS A 102 7.649 6.412 -24.123 1.00 0.00 C ATOM 1588 CE1 HIS A 102 9.449 7.520 -24.393 1.00 0.00 C ATOM 1589 NE2 HIS A 102 8.591 6.712 -25.073 1.00 0.00 N ATOM 0 H HIS A 102 6.046 7.335 -19.598 1.00 0.00 H new ATOM 0 HA HIS A 102 8.859 6.801 -20.243 1.00 0.00 H new ATOM 0 HB2 HIS A 102 6.848 5.932 -21.565 1.00 0.00 H new ATOM 0 HB3 HIS A 102 6.299 7.580 -21.795 1.00 0.00 H new ATOM 0 HD1 HIS A 102 9.697 8.351 -22.426 1.00 0.00 H new ATOM 0 HD2 HIS A 102 6.782 5.784 -24.265 1.00 0.00 H new ATOM 0 HE1 HIS A 102 10.319 7.939 -24.877 1.00 0.00 H new ATOM 1597 N ASP A 103 7.534 9.779 -20.556 1.00 0.00 N ATOM 1598 CA ASP A 103 7.865 11.159 -20.908 1.00 0.00 C ATOM 1599 C ASP A 103 8.373 11.963 -19.731 1.00 0.00 C ATOM 1600 O ASP A 103 9.243 12.828 -19.880 1.00 0.00 O ATOM 1601 CB ASP A 103 6.631 11.842 -21.558 1.00 0.00 C ATOM 1602 CG ASP A 103 6.917 12.916 -22.617 1.00 0.00 C ATOM 1603 OD1 ASP A 103 7.424 14.068 -22.082 1.00 0.00 O ATOM 1604 OD2 ASP A 103 6.726 12.742 -23.812 1.00 0.00 O ATOM 0 H ASP A 103 6.561 9.636 -20.284 1.00 0.00 H new ATOM 0 HA ASP A 103 8.685 11.126 -21.626 1.00 0.00 H new ATOM 0 HB2 ASP A 103 6.015 11.068 -22.016 1.00 0.00 H new ATOM 0 HB3 ASP A 103 6.036 12.295 -20.765 1.00 0.00 H new ATOM 1609 N ASP A 104 7.825 11.714 -18.562 1.00 0.00 N ATOM 1610 CA ASP A 104 8.032 12.490 -17.337 1.00 0.00 C ATOM 1611 C ASP A 104 6.871 13.444 -17.144 1.00 0.00 C ATOM 1612 O ASP A 104 6.471 13.789 -16.028 1.00 0.00 O ATOM 1613 CB ASP A 104 9.389 13.249 -17.309 1.00 0.00 C ATOM 1614 CG ASP A 104 9.835 13.793 -15.944 1.00 0.00 C ATOM 1615 OD1 ASP A 104 9.248 14.991 -15.636 1.00 0.00 O ATOM 1616 OD2 ASP A 104 10.643 13.224 -15.225 1.00 0.00 O ATOM 0 H ASP A 104 7.190 10.928 -18.422 1.00 0.00 H new ATOM 0 HA ASP A 104 8.074 11.784 -16.508 1.00 0.00 H new ATOM 0 HB2 ASP A 104 10.164 12.578 -17.680 1.00 0.00 H new ATOM 0 HB3 ASP A 104 9.329 14.084 -18.007 1.00 0.00 H new ATOM 1621 N THR A 105 6.326 13.907 -18.256 1.00 0.00 N ATOM 1622 CA THR A 105 5.105 14.708 -18.260 1.00 0.00 C ATOM 1623 C THR A 105 3.898 13.831 -18.019 1.00 0.00 C ATOM 1624 O THR A 105 2.928 14.206 -17.340 1.00 0.00 O ATOM 1625 CB THR A 105 4.964 15.493 -19.608 1.00 0.00 C ATOM 1626 OG1 THR A 105 5.929 16.536 -19.681 1.00 0.00 O ATOM 1627 CG2 THR A 105 3.613 16.199 -19.851 1.00 0.00 C ATOM 0 H THR A 105 6.715 13.740 -19.184 1.00 0.00 H new ATOM 0 HA THR A 105 5.166 15.435 -17.451 1.00 0.00 H new ATOM 0 HB THR A 105 5.086 14.706 -20.352 1.00 0.00 H new ATOM 0 HG1 THR A 105 5.829 17.016 -20.530 1.00 0.00 H new ATOM 0 HG21 THR A 105 3.636 16.707 -20.815 1.00 0.00 H new ATOM 0 HG22 THR A 105 2.811 15.461 -19.850 1.00 0.00 H new ATOM 0 HG23 THR A 105 3.436 16.928 -19.060 1.00 0.00 H new ATOM 1635 N GLU A 106 3.946 12.623 -18.543 1.00 0.00 N ATOM 1636 CA GLU A 106 2.901 11.632 -18.293 1.00 0.00 C ATOM 1637 C GLU A 106 3.145 10.970 -16.956 1.00 0.00 C ATOM 1638 O GLU A 106 2.221 10.482 -16.297 1.00 0.00 O ATOM 1639 CB GLU A 106 2.913 10.615 -19.478 1.00 0.00 C ATOM 1640 CG GLU A 106 2.764 9.105 -19.066 1.00 0.00 C ATOM 1641 CD GLU A 106 1.382 8.465 -19.186 1.00 0.00 C ATOM 1642 OE1 GLU A 106 0.451 9.004 -18.350 1.00 0.00 O ATOM 1643 OE2 GLU A 106 1.133 7.553 -19.966 1.00 0.00 O ATOM 0 H GLU A 106 4.699 12.296 -19.149 1.00 0.00 H new ATOM 0 HA GLU A 106 1.914 12.091 -18.242 1.00 0.00 H new ATOM 0 HB2 GLU A 106 2.104 10.870 -20.163 1.00 0.00 H new ATOM 0 HB3 GLU A 106 3.846 10.734 -20.029 1.00 0.00 H new ATOM 0 HG2 GLU A 106 3.456 8.523 -19.674 1.00 0.00 H new ATOM 0 HG3 GLU A 106 3.089 9.007 -18.030 1.00 0.00 H new ATOM 1650 N MET A 107 4.402 10.914 -16.551 1.00 0.00 N ATOM 1651 CA MET A 107 4.747 10.407 -15.224 1.00 0.00 C ATOM 1652 C MET A 107 3.905 11.084 -14.165 1.00 0.00 C ATOM 1653 O MET A 107 3.165 10.488 -13.374 1.00 0.00 O ATOM 1654 CB MET A 107 6.257 10.624 -14.936 1.00 0.00 C ATOM 1655 CG MET A 107 6.687 10.479 -13.460 1.00 0.00 C ATOM 1656 SD MET A 107 6.763 12.104 -12.687 1.00 0.00 S ATOM 1657 CE MET A 107 7.648 11.649 -11.190 1.00 0.00 C ATOM 0 H MET A 107 5.199 11.210 -17.114 1.00 0.00 H new ATOM 0 HA MET A 107 4.541 9.337 -15.199 1.00 0.00 H new ATOM 0 HB2 MET A 107 6.827 9.912 -15.533 1.00 0.00 H new ATOM 0 HB3 MET A 107 6.533 11.621 -15.279 1.00 0.00 H new ATOM 0 HG2 MET A 107 5.980 9.844 -12.926 1.00 0.00 H new ATOM 0 HG3 MET A 107 7.660 9.992 -13.401 1.00 0.00 H new ATOM 0 HE1 MET A 107 7.779 12.531 -10.562 1.00 0.00 H new ATOM 0 HE2 MET A 107 7.078 10.897 -10.645 1.00 0.00 H new ATOM 0 HE3 MET A 107 8.625 11.243 -11.454 1.00 0.00 H new ATOM 1667 N SER A 108 3.997 12.411 -14.153 1.00 0.00 N ATOM 1668 CA SER A 108 3.301 13.222 -13.161 1.00 0.00 C ATOM 1669 C SER A 108 1.802 13.137 -13.353 1.00 0.00 C ATOM 1670 O SER A 108 1.052 13.021 -12.374 1.00 0.00 O ATOM 1671 CB SER A 108 3.804 14.686 -13.192 1.00 0.00 C ATOM 1672 OG SER A 108 3.463 15.417 -12.009 1.00 0.00 O ATOM 0 H SER A 108 4.549 12.948 -14.822 1.00 0.00 H new ATOM 0 HA SER A 108 3.526 12.823 -12.172 1.00 0.00 H new ATOM 0 HB2 SER A 108 4.887 14.690 -13.316 1.00 0.00 H new ATOM 0 HB3 SER A 108 3.381 15.192 -14.060 1.00 0.00 H new ATOM 0 HG SER A 108 3.805 16.333 -12.080 1.00 0.00 H new ATOM 1678 N GLN A 109 1.343 13.168 -14.590 1.00 0.00 N ATOM 1679 CA GLN A 109 -0.075 13.010 -14.912 1.00 0.00 C ATOM 1680 C GLN A 109 -0.626 11.706 -14.380 1.00 0.00 C ATOM 1681 O GLN A 109 -1.789 11.672 -13.917 1.00 0.00 O ATOM 1682 CB GLN A 109 -0.238 13.095 -16.445 1.00 0.00 C ATOM 1683 CG GLN A 109 -0.452 14.527 -17.038 1.00 0.00 C ATOM 1684 CD GLN A 109 -0.544 14.709 -18.558 1.00 0.00 C ATOM 1685 OE1 GLN A 109 -0.493 15.819 -19.064 1.00 0.00 O ATOM 1686 NE2 GLN A 109 -0.686 13.666 -19.335 1.00 0.00 N ATOM 0 H GLN A 109 1.939 13.303 -15.406 1.00 0.00 H new ATOM 0 HA GLN A 109 -0.644 13.806 -14.432 1.00 0.00 H new ATOM 0 HB2 GLN A 109 0.648 12.661 -16.908 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -1.086 12.474 -16.734 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -1.369 14.926 -16.605 1.00 0.00 H new ATOM 0 HG3 GLN A 109 0.367 15.153 -16.683 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -0.731 12.731 -18.930 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -0.752 13.788 -20.346 1.00 0.00 H new ATOM 1695 N TRP A 110 0.100 10.606 -14.428 1.00 0.00 N ATOM 1696 CA TRP A 110 -0.323 9.361 -13.786 1.00 0.00 C ATOM 1697 C TRP A 110 -0.582 9.578 -12.316 1.00 0.00 C ATOM 1698 O TRP A 110 -1.529 9.042 -11.735 1.00 0.00 O ATOM 1699 CB TRP A 110 0.789 8.284 -13.942 1.00 0.00 C ATOM 1700 CG TRP A 110 0.726 7.421 -15.211 1.00 0.00 C ATOM 1701 CD1 TRP A 110 1.589 7.468 -16.323 1.00 0.00 C ATOM 1702 CD2 TRP A 110 -0.135 6.362 -15.447 1.00 0.00 C ATOM 1703 NE1 TRP A 110 1.296 6.449 -17.253 1.00 0.00 N ATOM 1704 CE2 TRP A 110 0.225 5.776 -16.685 1.00 0.00 C ATOM 1705 CE3 TRP A 110 -1.221 5.845 -14.691 1.00 0.00 C ATOM 1706 CZ2 TRP A 110 -0.474 4.643 -17.158 1.00 0.00 C ATOM 1707 CZ3 TRP A 110 -1.846 4.685 -15.144 1.00 0.00 C ATOM 1708 CH2 TRP A 110 -1.469 4.080 -16.352 1.00 0.00 C ATOM 0 H TRP A 110 0.997 10.542 -14.909 1.00 0.00 H new ATOM 0 HA TRP A 110 -1.242 9.027 -14.267 1.00 0.00 H new ATOM 0 HB2 TRP A 110 1.757 8.785 -13.916 1.00 0.00 H new ATOM 0 HB3 TRP A 110 0.749 7.623 -13.076 1.00 0.00 H new ATOM 0 HD1 TRP A 110 2.378 8.195 -16.448 1.00 0.00 H new ATOM 0 HE1 TRP A 110 1.763 6.253 -18.138 1.00 0.00 H new ATOM 0 HE3 TRP A 110 -1.553 6.338 -13.789 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 -0.244 4.219 -18.124 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 -2.635 4.243 -14.554 1.00 0.00 H new ATOM 0 HH2 TRP A 110 -1.954 3.167 -16.664 1.00 0.00 H new ATOM 1719 N VAL A 111 0.286 10.342 -11.678 1.00 0.00 N ATOM 1720 CA VAL A 111 0.226 10.516 -10.227 1.00 0.00 C ATOM 1721 C VAL A 111 -0.869 11.482 -9.827 1.00 0.00 C ATOM 1722 O VAL A 111 -1.524 11.340 -8.789 1.00 0.00 O ATOM 1723 CB VAL A 111 1.631 11.003 -9.693 1.00 0.00 C ATOM 1724 CG1 VAL A 111 1.790 12.530 -9.461 1.00 0.00 C ATOM 1725 CG2 VAL A 111 2.058 10.346 -8.358 1.00 0.00 C ATOM 0 H VAL A 111 1.041 10.853 -12.135 1.00 0.00 H new ATOM 0 HA VAL A 111 -0.015 9.554 -9.774 1.00 0.00 H new ATOM 0 HB VAL A 111 2.262 10.693 -10.526 1.00 0.00 H new ATOM 0 HG11 VAL A 111 2.795 12.740 -9.095 1.00 0.00 H new ATOM 0 HG12 VAL A 111 1.628 13.059 -10.400 1.00 0.00 H new ATOM 0 HG13 VAL A 111 1.059 12.864 -8.725 1.00 0.00 H new ATOM 0 HG21 VAL A 111 3.032 10.732 -8.058 1.00 0.00 H new ATOM 0 HG22 VAL A 111 1.323 10.577 -7.587 1.00 0.00 H new ATOM 0 HG23 VAL A 111 2.120 9.266 -8.488 1.00 0.00 H new ATOM 1735 N THR A 112 -1.103 12.480 -10.667 1.00 0.00 N ATOM 1736 CA THR A 112 -2.208 13.421 -10.497 1.00 0.00 C ATOM 1737 C THR A 112 -3.532 12.771 -10.822 1.00 0.00 C ATOM 1738 O THR A 112 -4.547 13.032 -10.132 1.00 0.00 O ATOM 1739 CB THR A 112 -1.985 14.704 -11.373 1.00 0.00 C ATOM 1740 OG1 THR A 112 -1.058 14.463 -12.420 1.00 0.00 O ATOM 1741 CG2 THR A 112 -1.406 15.936 -10.638 1.00 0.00 C ATOM 0 H THR A 112 -0.530 12.663 -11.491 1.00 0.00 H new ATOM 0 HA THR A 112 -2.233 13.723 -9.450 1.00 0.00 H new ATOM 0 HB THR A 112 -2.998 14.922 -11.711 1.00 0.00 H new ATOM 0 HG1 THR A 112 -0.191 14.212 -12.038 1.00 0.00 H new ATOM 0 HG21 THR A 112 -1.295 16.761 -11.342 1.00 0.00 H new ATOM 0 HG22 THR A 112 -2.082 16.232 -9.836 1.00 0.00 H new ATOM 0 HG23 THR A 112 -0.432 15.684 -10.218 1.00 0.00 H new ATOM 1749 N SER A 113 -3.599 11.908 -11.816 1.00 0.00 N ATOM 1750 CA SER A 113 -4.812 11.137 -12.093 1.00 0.00 C ATOM 1751 C SER A 113 -5.073 10.160 -10.966 1.00 0.00 C ATOM 1752 O SER A 113 -6.131 10.108 -10.333 1.00 0.00 O ATOM 1753 CB SER A 113 -4.729 10.426 -13.468 1.00 0.00 C ATOM 1754 OG SER A 113 -5.869 10.695 -14.293 1.00 0.00 O ATOM 0 H SER A 113 -2.826 11.717 -12.454 1.00 0.00 H new ATOM 0 HA SER A 113 -5.657 11.824 -12.148 1.00 0.00 H new ATOM 0 HB2 SER A 113 -3.825 10.747 -13.986 1.00 0.00 H new ATOM 0 HB3 SER A 113 -4.642 9.351 -13.313 1.00 0.00 H new ATOM 0 HG SER A 113 -5.771 10.228 -15.149 1.00 0.00 H new ATOM 1760 N LEU A 114 -4.056 9.359 -10.682 1.00 0.00 N ATOM 1761 CA LEU A 114 -4.028 8.441 -9.548 1.00 0.00 C ATOM 1762 C LEU A 114 -4.367 9.130 -8.244 1.00 0.00 C ATOM 1763 O LEU A 114 -4.889 8.489 -7.310 1.00 0.00 O ATOM 1764 CB LEU A 114 -2.633 7.755 -9.453 1.00 0.00 C ATOM 1765 CG LEU A 114 -2.300 6.637 -10.477 1.00 0.00 C ATOM 1766 CD1 LEU A 114 -2.012 5.320 -9.741 1.00 0.00 C ATOM 1767 CD2 LEU A 114 -3.430 6.412 -11.500 1.00 0.00 C ATOM 0 H LEU A 114 -3.207 9.327 -11.246 1.00 0.00 H new ATOM 0 HA LEU A 114 -4.794 7.685 -9.719 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -1.873 8.530 -9.546 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -2.536 7.332 -8.453 1.00 0.00 H new ATOM 0 HG LEU A 114 -1.418 6.965 -11.028 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -1.779 4.541 -10.467 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -1.164 5.456 -9.070 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -2.888 5.027 -9.163 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -3.143 5.619 -12.191 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -4.342 6.125 -10.977 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -3.606 7.333 -12.057 1.00 0.00 H new ATOM 1779 N LYS A 115 -4.071 10.409 -8.117 1.00 0.00 N ATOM 1780 CA LYS A 115 -4.411 11.156 -6.904 1.00 0.00 C ATOM 1781 C LYS A 115 -5.908 11.291 -6.765 1.00 0.00 C ATOM 1782 O LYS A 115 -6.493 11.043 -5.705 1.00 0.00 O ATOM 1783 CB LYS A 115 -3.730 12.553 -6.925 1.00 0.00 C ATOM 1784 CG LYS A 115 -3.946 13.351 -5.613 1.00 0.00 C ATOM 1785 CD LYS A 115 -2.761 14.215 -5.175 1.00 0.00 C ATOM 1786 CE LYS A 115 -3.260 15.311 -4.224 1.00 0.00 C ATOM 1787 NZ LYS A 115 -3.371 14.763 -2.860 1.00 0.00 N ATOM 0 H LYS A 115 -3.597 10.959 -8.833 1.00 0.00 H new ATOM 0 HA LYS A 115 -4.040 10.605 -6.040 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -2.661 12.428 -7.096 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -4.121 13.129 -7.763 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -4.818 13.993 -5.736 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -4.178 12.648 -4.813 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -2.011 13.600 -4.678 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -2.281 14.663 -6.045 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -2.572 16.157 -4.233 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -4.228 15.684 -4.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -3.709 15.505 -2.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -4.043 13.970 -2.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -2.439 14.427 -2.544 1.00 0.00 H new ATOM 1801 N ALA A 116 -6.555 11.706 -7.840 1.00 0.00 N ATOM 1802 CA ALA A 116 -8.016 11.742 -7.887 1.00 0.00 C ATOM 1803 C ALA A 116 -8.617 10.369 -7.684 1.00 0.00 C ATOM 1804 O ALA A 116 -9.813 10.244 -7.351 1.00 0.00 O ATOM 1805 CB ALA A 116 -8.418 12.367 -9.235 1.00 0.00 C ATOM 0 H ALA A 116 -6.097 12.024 -8.694 1.00 0.00 H new ATOM 0 HA ALA A 116 -8.408 12.348 -7.070 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -9.505 12.410 -9.306 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -8.009 13.375 -9.305 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -8.025 11.759 -10.050 1.00 0.00 H new ATOM 1811 N GLN A 117 -7.845 9.312 -7.846 1.00 0.00 N ATOM 1812 CA GLN A 117 -8.384 7.950 -7.820 1.00 0.00 C ATOM 1813 C GLN A 117 -8.317 7.343 -6.435 1.00 0.00 C ATOM 1814 O GLN A 117 -9.354 7.041 -5.813 1.00 0.00 O ATOM 1815 CB GLN A 117 -7.598 7.108 -8.851 1.00 0.00 C ATOM 1816 CG GLN A 117 -8.031 7.291 -10.345 1.00 0.00 C ATOM 1817 CD GLN A 117 -9.487 7.019 -10.741 1.00 0.00 C ATOM 1818 OE1 GLN A 117 -10.413 7.539 -10.136 1.00 0.00 O ATOM 1819 NE2 GLN A 117 -9.760 6.239 -11.755 1.00 0.00 N ATOM 0 H GLN A 117 -6.838 9.362 -7.998 1.00 0.00 H new ATOM 0 HA GLN A 117 -9.441 7.968 -8.084 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -6.540 7.356 -8.765 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -7.701 6.055 -8.588 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -7.800 8.317 -10.630 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -7.399 6.642 -10.951 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -9.003 5.794 -12.275 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -10.730 6.075 -12.026 1.00 0.00 H new ATOM 1828 N SER A 118 -7.124 7.118 -5.917 1.00 0.00 N ATOM 1829 CA SER A 118 -6.918 6.600 -4.565 1.00 0.00 C ATOM 1830 C SER A 118 -7.784 7.360 -3.587 1.00 0.00 C ATOM 1831 O SER A 118 -7.697 8.613 -3.543 1.00 0.00 O ATOM 1832 CB SER A 118 -5.427 6.669 -4.153 1.00 0.00 C ATOM 1833 OG SER A 118 -4.872 5.393 -3.811 1.00 0.00 O ATOM 0 H SER A 118 -6.256 7.290 -6.424 1.00 0.00 H new ATOM 0 HA SER A 118 -7.208 5.549 -4.552 1.00 0.00 H new ATOM 0 HB2 SER A 118 -4.851 7.100 -4.972 1.00 0.00 H new ATOM 0 HB3 SER A 118 -5.324 7.342 -3.302 1.00 0.00 H new ATOM 0 HG SER A 118 -3.930 5.502 -3.563 1.00 0.00 H new