USER MOD reduce.3.24.130724 H: found=0, std=0, add=681, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 684 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 76 ASN : amide:sc= -0.531 K(o=-0.58,f=-2!) USER MOD Set 1.2: A 80 LYS NZ :NH3+ -160:sc= -0.0542 (180deg=-0.548) USER MOD Set 2.1: A 39 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 ASN :FLIP amide:sc= -3.27 F(o=-8.2!,f=-3.3) USER MOD Single : A 8 SER OG : rot 29:sc= 0.292 USER MOD Single : A 11 ASN : amide:sc= -2.5 X(o=-2.5,f=-3!) USER MOD Single : A 15 ASN : amide:sc= -2.07 K(o=-2.1,f=-7.6!) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot -69:sc= 0.857 USER MOD Single : A 31 THR OG1 : rot 160:sc= -0.0795 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 TYR OH : rot -134:sc= -1.57 USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ -164:sc= -0.018 (180deg=-0.347) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 HIS :FLIP no HD1:sc= -2.31! C(o=-3.8!,f=-2.3!) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 ASN :FLIP amide:sc= -1.47 F(o=-3.7!,f=-1.5) USER MOD Single : A 69 THR OG1 : rot 34:sc= 0.463 USER MOD Single : A 73 HIS : no HD1:sc= -0.21 K(o=-0.21,f=-0.9) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 40:sc= -0.421! USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 MET CE :methyl 148:sc= -0.145 (180deg=-1.21) USER MOD Single : A 98 ASN : amide:sc=-0.00265 X(o=-0.0027,f=0) USER MOD ----------------------------------------------------------------- ATOM 41 N ASP A 4 -19.874 -3.222 -3.767 1.00 0.00 N ATOM 42 CA ASP A 4 -18.731 -3.909 -3.100 1.00 0.00 C ATOM 43 C ASP A 4 -17.484 -3.801 -3.982 1.00 0.00 C ATOM 44 O ASP A 4 -17.565 -3.475 -5.149 1.00 0.00 O ATOM 45 CB ASP A 4 -19.076 -5.383 -2.883 1.00 0.00 C ATOM 46 CG ASP A 4 -19.542 -5.999 -4.204 1.00 0.00 C ATOM 47 OD1 ASP A 4 -18.748 -6.041 -5.128 1.00 0.00 O ATOM 48 OD2 ASP A 4 -20.687 -6.419 -4.268 1.00 0.00 O ATOM 0 HA ASP A 4 -18.537 -3.436 -2.137 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -18.205 -5.920 -2.507 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -19.858 -5.477 -2.130 1.00 0.00 H new ATOM 53 N ASN A 5 -16.332 -4.071 -3.433 1.00 0.00 N ATOM 54 CA ASN A 5 -15.082 -3.982 -4.235 1.00 0.00 C ATOM 55 C ASN A 5 -13.958 -4.706 -3.487 1.00 0.00 C ATOM 56 O ASN A 5 -13.684 -4.426 -2.335 1.00 0.00 O ATOM 57 CB ASN A 5 -14.712 -2.508 -4.440 1.00 0.00 C ATOM 58 CG ASN A 5 -14.918 -1.743 -3.131 1.00 0.00 C ATOM 59 OD1 ASN A 5 -15.040 -2.406 -2.013 1.00 0.00 O flip ATOM 60 ND2 ASN A 5 -14.970 -0.529 -3.126 1.00 0.00 N flip ATOM 0 H ASN A 5 -16.203 -4.350 -2.460 1.00 0.00 H new ATOM 0 HA ASN A 5 -15.229 -4.449 -5.209 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -13.674 -2.424 -4.763 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -15.327 -2.074 -5.228 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -14.875 -0.011 -3.999 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -15.109 -0.028 -2.248 1.00 0.00 H new ATOM 67 N GLU A 6 -13.311 -5.636 -4.134 1.00 0.00 N ATOM 68 CA GLU A 6 -12.209 -6.386 -3.465 1.00 0.00 C ATOM 69 C GLU A 6 -11.358 -7.103 -4.517 1.00 0.00 C ATOM 70 O GLU A 6 -11.796 -7.356 -5.620 1.00 0.00 O ATOM 71 CB GLU A 6 -12.807 -7.417 -2.505 1.00 0.00 C ATOM 72 CG GLU A 6 -13.767 -8.332 -3.268 1.00 0.00 C ATOM 73 CD GLU A 6 -14.463 -9.276 -2.285 1.00 0.00 C ATOM 74 OE1 GLU A 6 -13.777 -9.833 -1.444 1.00 0.00 O ATOM 75 OE2 GLU A 6 -15.669 -9.424 -2.390 1.00 0.00 O ATOM 0 H GLU A 6 -13.498 -5.910 -5.099 1.00 0.00 H new ATOM 0 HA GLU A 6 -11.582 -5.688 -2.910 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -12.013 -8.007 -2.048 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -13.335 -6.912 -1.696 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -14.507 -7.736 -3.802 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -13.221 -8.907 -4.016 1.00 0.00 H new ATOM 82 N ILE A 7 -10.138 -7.433 -4.175 1.00 0.00 N ATOM 83 CA ILE A 7 -9.236 -8.139 -5.137 1.00 0.00 C ATOM 84 C ILE A 7 -8.281 -9.038 -4.346 1.00 0.00 C ATOM 85 O ILE A 7 -8.131 -8.890 -3.150 1.00 0.00 O ATOM 86 CB ILE A 7 -8.433 -7.116 -5.948 1.00 0.00 C ATOM 87 CG1 ILE A 7 -7.745 -6.135 -4.996 1.00 0.00 C ATOM 88 CG2 ILE A 7 -9.372 -6.345 -6.880 1.00 0.00 C ATOM 89 CD1 ILE A 7 -6.928 -5.125 -5.805 1.00 0.00 C ATOM 0 H ILE A 7 -9.724 -7.242 -3.262 1.00 0.00 H new ATOM 0 HA ILE A 7 -9.830 -8.741 -5.824 1.00 0.00 H new ATOM 0 HB ILE A 7 -7.682 -7.637 -6.541 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -8.489 -5.616 -4.392 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -7.096 -6.675 -4.307 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -8.798 -5.618 -7.455 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -9.862 -7.041 -7.561 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -10.126 -5.825 -6.288 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -6.438 -4.426 -5.127 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -6.174 -5.652 -6.390 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -7.589 -4.576 -6.476 1.00 0.00 H new ATOM 101 N SER A 8 -7.641 -9.975 -5.007 1.00 0.00 N ATOM 102 CA SER A 8 -6.692 -10.905 -4.308 1.00 0.00 C ATOM 103 C SER A 8 -5.352 -10.920 -5.039 1.00 0.00 C ATOM 104 O SER A 8 -5.294 -11.059 -6.246 1.00 0.00 O ATOM 105 CB SER A 8 -7.280 -12.317 -4.309 1.00 0.00 C ATOM 106 OG SER A 8 -7.462 -12.748 -5.651 1.00 0.00 O ATOM 0 H SER A 8 -7.736 -10.137 -6.010 1.00 0.00 H new ATOM 0 HA SER A 8 -6.542 -10.565 -3.283 1.00 0.00 H new ATOM 0 HB2 SER A 8 -6.615 -13.001 -3.782 1.00 0.00 H new ATOM 0 HB3 SER A 8 -8.232 -12.327 -3.779 1.00 0.00 H new ATOM 0 HG SER A 8 -6.800 -12.312 -6.227 1.00 0.00 H new ATOM 112 N VAL A 9 -4.272 -10.786 -4.305 1.00 0.00 N ATOM 113 CA VAL A 9 -2.905 -10.798 -4.923 1.00 0.00 C ATOM 114 C VAL A 9 -2.097 -11.938 -4.300 1.00 0.00 C ATOM 115 O VAL A 9 -1.456 -11.776 -3.281 1.00 0.00 O ATOM 116 CB VAL A 9 -2.209 -9.466 -4.631 1.00 0.00 C ATOM 117 CG1 VAL A 9 -0.860 -9.425 -5.351 1.00 0.00 C ATOM 118 CG2 VAL A 9 -3.086 -8.315 -5.127 1.00 0.00 C ATOM 0 H VAL A 9 -4.279 -10.667 -3.292 1.00 0.00 H new ATOM 0 HA VAL A 9 -2.981 -10.940 -6.001 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.050 -9.367 -3.557 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -0.365 -8.476 -5.143 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.235 -10.246 -4.999 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.018 -9.524 -6.425 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -2.592 -7.366 -4.920 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -3.244 -8.415 -6.201 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -4.047 -8.343 -4.614 1.00 0.00 H new ATOM 128 N GLY A 10 -2.139 -13.094 -4.901 1.00 0.00 N ATOM 129 CA GLY A 10 -1.390 -14.251 -4.339 1.00 0.00 C ATOM 130 C GLY A 10 -2.085 -14.710 -3.055 1.00 0.00 C ATOM 131 O GLY A 10 -3.242 -15.080 -3.066 1.00 0.00 O ATOM 0 H GLY A 10 -2.659 -13.287 -5.757 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -1.356 -15.066 -5.062 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -0.359 -13.967 -4.130 1.00 0.00 H new ATOM 135 N ASN A 11 -1.389 -14.685 -1.946 1.00 0.00 N ATOM 136 CA ASN A 11 -2.008 -15.113 -0.649 1.00 0.00 C ATOM 137 C ASN A 11 -2.530 -13.878 0.094 1.00 0.00 C ATOM 138 O ASN A 11 -2.868 -13.942 1.263 1.00 0.00 O ATOM 139 CB ASN A 11 -0.946 -15.819 0.209 1.00 0.00 C ATOM 140 CG ASN A 11 -1.627 -16.599 1.337 1.00 0.00 C ATOM 141 OD1 ASN A 11 -2.743 -16.299 1.712 1.00 0.00 O ATOM 142 ND2 ASN A 11 -0.996 -17.595 1.898 1.00 0.00 N ATOM 0 H ASN A 11 -0.416 -14.386 -1.881 1.00 0.00 H new ATOM 0 HA ASN A 11 -2.834 -15.797 -0.842 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -0.356 -16.496 -0.409 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -0.256 -15.086 0.626 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -1.440 -18.121 2.651 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -0.059 -17.847 1.583 1.00 0.00 H new ATOM 149 N LEU A 12 -2.584 -12.749 -0.575 1.00 0.00 N ATOM 150 CA LEU A 12 -3.074 -11.489 0.070 1.00 0.00 C ATOM 151 C LEU A 12 -4.491 -11.193 -0.428 1.00 0.00 C ATOM 152 O LEU A 12 -4.729 -11.105 -1.617 1.00 0.00 O ATOM 153 CB LEU A 12 -2.157 -10.317 -0.323 1.00 0.00 C ATOM 154 CG LEU A 12 -0.813 -10.405 0.424 1.00 0.00 C ATOM 155 CD1 LEU A 12 0.030 -11.577 -0.111 1.00 0.00 C ATOM 156 CD2 LEU A 12 -0.045 -9.091 0.227 1.00 0.00 C ATOM 0 H LEU A 12 -2.306 -12.647 -1.551 1.00 0.00 H new ATOM 0 HA LEU A 12 -3.071 -11.611 1.153 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.983 -10.330 -1.399 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.647 -9.371 -0.091 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.006 -10.573 1.484 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.975 -11.622 0.430 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.514 -12.511 0.031 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.226 -11.429 -1.173 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.908 -9.144 0.753 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.135 -8.931 -0.836 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.632 -8.263 0.624 1.00 0.00 H new ATOM 168 N ARG A 13 -5.428 -11.020 0.474 1.00 0.00 N ATOM 169 CA ARG A 13 -6.840 -10.706 0.069 1.00 0.00 C ATOM 170 C ARG A 13 -7.136 -9.248 0.426 1.00 0.00 C ATOM 171 O ARG A 13 -7.069 -8.860 1.571 1.00 0.00 O ATOM 172 CB ARG A 13 -7.806 -11.632 0.815 1.00 0.00 C ATOM 173 CG ARG A 13 -7.724 -13.043 0.226 1.00 0.00 C ATOM 174 CD ARG A 13 -8.749 -13.946 0.914 1.00 0.00 C ATOM 175 NE ARG A 13 -10.124 -13.532 0.514 1.00 0.00 N ATOM 176 CZ ARG A 13 -11.140 -14.312 0.765 1.00 0.00 C ATOM 177 NH1 ARG A 13 -10.954 -15.458 1.362 1.00 0.00 N ATOM 178 NH2 ARG A 13 -12.345 -13.946 0.418 1.00 0.00 N ATOM 0 H ARG A 13 -5.276 -11.083 1.481 1.00 0.00 H new ATOM 0 HA ARG A 13 -6.966 -10.857 -1.003 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -7.557 -11.655 1.876 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -8.825 -11.252 0.735 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -7.914 -13.012 -0.847 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -6.720 -13.446 0.361 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -8.576 -14.986 0.638 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -8.638 -13.881 1.996 1.00 0.00 H new ATOM 0 HE ARG A 13 -10.271 -12.639 0.044 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -10.014 -15.745 1.633 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -11.749 -16.066 1.557 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -12.492 -13.051 -0.049 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -13.139 -14.555 0.614 1.00 0.00 H new ATOM 192 N LEU A 14 -7.446 -8.435 -0.556 1.00 0.00 N ATOM 193 CA LEU A 14 -7.733 -6.983 -0.300 1.00 0.00 C ATOM 194 C LEU A 14 -9.253 -6.750 -0.333 1.00 0.00 C ATOM 195 O LEU A 14 -9.938 -7.213 -1.222 1.00 0.00 O ATOM 196 CB LEU A 14 -7.032 -6.147 -1.402 1.00 0.00 C ATOM 197 CG LEU A 14 -6.464 -4.840 -0.827 1.00 0.00 C ATOM 198 CD1 LEU A 14 -5.741 -4.071 -1.936 1.00 0.00 C ATOM 199 CD2 LEU A 14 -7.604 -3.981 -0.271 1.00 0.00 C ATOM 0 H LEU A 14 -7.514 -8.716 -1.534 1.00 0.00 H new ATOM 0 HA LEU A 14 -7.359 -6.684 0.679 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -6.228 -6.731 -1.850 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -7.742 -5.920 -2.197 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.764 -5.072 -0.024 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.337 -3.143 -1.531 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.927 -4.680 -2.330 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -6.443 -3.842 -2.737 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -7.197 -3.055 0.136 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -8.307 -3.748 -1.071 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -8.120 -4.528 0.518 1.00 0.00 H new ATOM 211 N ASN A 15 -9.778 -6.027 0.631 1.00 0.00 N ATOM 212 CA ASN A 15 -11.252 -5.744 0.673 1.00 0.00 C ATOM 213 C ASN A 15 -11.479 -4.264 1.004 1.00 0.00 C ATOM 214 O ASN A 15 -11.445 -3.859 2.149 1.00 0.00 O ATOM 215 CB ASN A 15 -11.910 -6.621 1.746 1.00 0.00 C ATOM 216 CG ASN A 15 -12.021 -8.061 1.238 1.00 0.00 C ATOM 217 OD1 ASN A 15 -11.188 -8.516 0.481 1.00 0.00 O ATOM 218 ND2 ASN A 15 -13.024 -8.801 1.626 1.00 0.00 N ATOM 0 H ASN A 15 -9.244 -5.617 1.397 1.00 0.00 H new ATOM 0 HA ASN A 15 -11.695 -5.968 -0.298 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -11.322 -6.593 2.663 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -12.899 -6.234 1.990 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -13.108 -9.762 1.293 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -13.724 -8.419 2.262 1.00 0.00 H new ATOM 225 N VAL A 16 -11.714 -3.459 0.004 1.00 0.00 N ATOM 226 CA VAL A 16 -11.951 -2.004 0.242 1.00 0.00 C ATOM 227 C VAL A 16 -13.340 -1.806 0.839 1.00 0.00 C ATOM 228 O VAL A 16 -13.598 -0.846 1.536 1.00 0.00 O ATOM 229 CB VAL A 16 -11.872 -1.263 -1.090 1.00 0.00 C ATOM 230 CG1 VAL A 16 -11.958 0.245 -0.843 1.00 0.00 C ATOM 231 CG2 VAL A 16 -10.547 -1.593 -1.784 1.00 0.00 C ATOM 0 H VAL A 16 -11.752 -3.747 -0.974 1.00 0.00 H new ATOM 0 HA VAL A 16 -11.199 -1.618 0.930 1.00 0.00 H new ATOM 0 HB VAL A 16 -12.701 -1.574 -1.726 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -11.901 0.773 -1.795 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -12.903 0.480 -0.353 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -11.131 0.557 -0.205 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -10.492 -1.063 -2.735 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -9.717 -1.285 -1.149 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -10.488 -2.667 -1.963 1.00 0.00 H new ATOM 241 N THR A 17 -14.237 -2.708 0.568 1.00 0.00 N ATOM 242 CA THR A 17 -15.619 -2.584 1.111 1.00 0.00 C ATOM 243 C THR A 17 -15.569 -2.529 2.643 1.00 0.00 C ATOM 244 O THR A 17 -16.147 -1.654 3.257 1.00 0.00 O ATOM 245 CB THR A 17 -16.459 -3.795 0.661 1.00 0.00 C ATOM 246 OG1 THR A 17 -17.463 -4.065 1.632 1.00 0.00 O ATOM 247 CG2 THR A 17 -15.563 -5.031 0.500 1.00 0.00 C ATOM 0 H THR A 17 -14.073 -3.532 -0.010 1.00 0.00 H new ATOM 0 HA THR A 17 -16.075 -1.668 0.735 1.00 0.00 H new ATOM 0 HB THR A 17 -16.925 -3.565 -0.297 1.00 0.00 H new ATOM 0 HG1 THR A 17 -17.998 -4.834 1.344 1.00 0.00 H new ATOM 0 HG21 THR A 17 -16.168 -5.880 0.182 1.00 0.00 H new ATOM 0 HG22 THR A 17 -14.797 -4.830 -0.249 1.00 0.00 H new ATOM 0 HG23 THR A 17 -15.087 -5.262 1.453 1.00 0.00 H new ATOM 255 N ARG A 18 -14.878 -3.454 3.265 1.00 0.00 N ATOM 256 CA ARG A 18 -14.779 -3.461 4.760 1.00 0.00 C ATOM 257 C ARG A 18 -13.452 -2.823 5.161 1.00 0.00 C ATOM 258 O ARG A 18 -13.152 -2.659 6.327 1.00 0.00 O ATOM 259 CB ARG A 18 -14.824 -4.905 5.265 1.00 0.00 C ATOM 260 CG ARG A 18 -16.027 -5.626 4.649 1.00 0.00 C ATOM 261 CD ARG A 18 -16.250 -6.962 5.364 1.00 0.00 C ATOM 262 NE ARG A 18 -16.772 -6.708 6.736 1.00 0.00 N ATOM 263 CZ ARG A 18 -16.865 -7.689 7.592 1.00 0.00 C ATOM 264 NH1 ARG A 18 -16.501 -8.895 7.246 1.00 0.00 N ATOM 265 NH2 ARG A 18 -17.321 -7.465 8.793 1.00 0.00 N ATOM 0 H ARG A 18 -14.375 -4.209 2.799 1.00 0.00 H new ATOM 0 HA ARG A 18 -15.609 -2.903 5.194 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -13.902 -5.423 5.000 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -14.896 -4.919 6.353 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -16.918 -5.004 4.734 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -15.856 -5.796 3.586 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -16.955 -7.574 4.802 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -15.315 -7.520 5.416 1.00 0.00 H new ATOM 0 HE ARG A 18 -17.057 -5.767 7.007 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -16.144 -9.070 6.307 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -16.574 -9.661 7.915 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -17.605 -6.523 9.063 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -17.394 -8.231 9.462 1.00 0.00 H new ATOM 279 N ARG A 19 -12.655 -2.479 4.189 1.00 0.00 N ATOM 280 CA ARG A 19 -11.332 -1.857 4.465 1.00 0.00 C ATOM 281 C ARG A 19 -10.516 -2.779 5.372 1.00 0.00 C ATOM 282 O ARG A 19 -10.359 -2.531 6.550 1.00 0.00 O ATOM 283 CB ARG A 19 -11.504 -0.488 5.148 1.00 0.00 C ATOM 284 CG ARG A 19 -12.274 0.490 4.227 1.00 0.00 C ATOM 285 CD ARG A 19 -13.793 0.294 4.361 1.00 0.00 C ATOM 286 NE ARG A 19 -14.494 1.460 3.750 1.00 0.00 N ATOM 287 CZ ARG A 19 -15.797 1.533 3.791 1.00 0.00 C ATOM 288 NH1 ARG A 19 -16.488 0.589 4.367 1.00 0.00 N ATOM 289 NH2 ARG A 19 -16.409 2.554 3.254 1.00 0.00 N ATOM 0 H ARG A 19 -12.869 -2.605 3.200 1.00 0.00 H new ATOM 0 HA ARG A 19 -10.812 -1.710 3.518 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -12.042 -0.610 6.088 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -10.526 -0.072 5.392 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -12.013 1.517 4.482 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -11.974 0.332 3.191 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -14.098 -0.628 3.867 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -14.068 0.199 5.411 1.00 0.00 H new ATOM 0 HE ARG A 19 -13.956 2.200 3.300 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -16.011 -0.209 4.787 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -17.506 0.648 4.398 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -15.869 3.293 2.803 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -17.427 2.613 3.285 1.00 0.00 H new ATOM 303 N LEU A 20 -9.992 -3.841 4.824 1.00 0.00 N ATOM 304 CA LEU A 20 -9.179 -4.785 5.635 1.00 0.00 C ATOM 305 C LEU A 20 -8.379 -5.685 4.687 1.00 0.00 C ATOM 306 O LEU A 20 -8.810 -5.969 3.587 1.00 0.00 O ATOM 307 CB LEU A 20 -10.113 -5.633 6.511 1.00 0.00 C ATOM 308 CG LEU A 20 -9.313 -6.646 7.348 1.00 0.00 C ATOM 309 CD1 LEU A 20 -8.322 -5.919 8.279 1.00 0.00 C ATOM 310 CD2 LEU A 20 -10.296 -7.475 8.185 1.00 0.00 C ATOM 0 H LEU A 20 -10.094 -4.095 3.841 1.00 0.00 H new ATOM 0 HA LEU A 20 -8.492 -4.237 6.280 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -10.688 -4.983 7.171 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -10.829 -6.161 5.881 1.00 0.00 H new ATOM 0 HG LEU A 20 -8.743 -7.294 6.682 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -7.766 -6.653 8.862 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -7.627 -5.329 7.681 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -8.871 -5.261 8.952 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -9.743 -8.198 8.784 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -10.861 -6.814 8.843 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -10.983 -8.002 7.523 1.00 0.00 H new ATOM 322 N VAL A 21 -7.213 -6.131 5.102 1.00 0.00 N ATOM 323 CA VAL A 21 -6.370 -7.013 4.228 1.00 0.00 C ATOM 324 C VAL A 21 -5.839 -8.194 5.042 1.00 0.00 C ATOM 325 O VAL A 21 -5.555 -8.070 6.218 1.00 0.00 O ATOM 326 CB VAL A 21 -5.182 -6.210 3.688 1.00 0.00 C ATOM 327 CG1 VAL A 21 -4.453 -7.033 2.622 1.00 0.00 C ATOM 328 CG2 VAL A 21 -5.681 -4.899 3.073 1.00 0.00 C ATOM 0 H VAL A 21 -6.808 -5.920 6.014 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.978 -7.381 3.402 1.00 0.00 H new ATOM 0 HB VAL A 21 -4.497 -5.985 4.505 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -3.608 -6.463 2.237 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -4.093 -7.962 3.063 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -5.139 -7.260 1.806 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.833 -4.331 2.690 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -6.369 -5.119 2.257 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -6.196 -4.313 3.834 1.00 0.00 H new ATOM 338 N TRP A 22 -5.692 -9.341 4.415 1.00 0.00 N ATOM 339 CA TRP A 22 -5.165 -10.554 5.125 1.00 0.00 C ATOM 340 C TRP A 22 -3.796 -10.917 4.543 1.00 0.00 C ATOM 341 O TRP A 22 -3.567 -10.804 3.353 1.00 0.00 O ATOM 342 CB TRP A 22 -6.125 -11.731 4.920 1.00 0.00 C ATOM 343 CG TRP A 22 -7.382 -11.500 5.695 1.00 0.00 C ATOM 344 CD1 TRP A 22 -7.628 -11.982 6.934 1.00 0.00 C ATOM 345 CD2 TRP A 22 -8.565 -10.746 5.307 1.00 0.00 C ATOM 346 NE1 TRP A 22 -8.886 -11.570 7.333 1.00 0.00 N ATOM 347 CE2 TRP A 22 -9.504 -10.805 6.365 1.00 0.00 C ATOM 348 CE3 TRP A 22 -8.913 -10.021 4.153 1.00 0.00 C ATOM 349 CZ2 TRP A 22 -10.743 -10.170 6.280 1.00 0.00 C ATOM 350 CZ3 TRP A 22 -10.159 -9.381 4.065 1.00 0.00 C ATOM 351 CH2 TRP A 22 -11.072 -9.455 5.127 1.00 0.00 C ATOM 0 H TRP A 22 -5.917 -9.489 3.431 1.00 0.00 H new ATOM 0 HA TRP A 22 -5.075 -10.341 6.190 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -6.356 -11.844 3.861 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -5.652 -12.658 5.244 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -6.952 -12.590 7.517 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -9.306 -11.803 8.233 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -8.217 -9.956 3.330 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -11.443 -10.231 7.100 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -10.416 -8.828 3.174 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -12.029 -8.959 5.053 1.00 0.00 H new ATOM 362 N LEU A 23 -2.893 -11.356 5.383 1.00 0.00 N ATOM 363 CA LEU A 23 -1.517 -11.745 4.931 1.00 0.00 C ATOM 364 C LEU A 23 -1.288 -13.204 5.325 1.00 0.00 C ATOM 365 O LEU A 23 -1.097 -13.514 6.483 1.00 0.00 O ATOM 366 CB LEU A 23 -0.504 -10.834 5.643 1.00 0.00 C ATOM 367 CG LEU A 23 0.934 -11.346 5.473 1.00 0.00 C ATOM 368 CD1 LEU A 23 1.231 -11.586 3.989 1.00 0.00 C ATOM 369 CD2 LEU A 23 1.903 -10.292 6.027 1.00 0.00 C ATOM 0 H LEU A 23 -3.053 -11.464 6.385 1.00 0.00 H new ATOM 0 HA LEU A 23 -1.402 -11.637 3.852 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.580 -9.823 5.244 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -0.748 -10.777 6.704 1.00 0.00 H new ATOM 0 HG LEU A 23 1.055 -12.285 6.013 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.253 -11.949 3.876 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.537 -12.328 3.594 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.115 -10.652 3.439 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.928 -10.644 5.912 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.777 -9.358 5.480 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.693 -10.125 7.083 1.00 0.00 H new ATOM 381 N GLY A 24 -1.328 -14.108 4.385 1.00 0.00 N ATOM 382 CA GLY A 24 -1.136 -15.539 4.747 1.00 0.00 C ATOM 383 C GLY A 24 -2.381 -16.011 5.497 1.00 0.00 C ATOM 384 O GLY A 24 -2.300 -16.730 6.472 1.00 0.00 O ATOM 0 H GLY A 24 -1.483 -13.921 3.394 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -0.981 -16.140 3.851 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -0.249 -15.658 5.369 1.00 0.00 H new ATOM 388 N GLU A 25 -3.531 -15.591 5.040 1.00 0.00 N ATOM 389 CA GLU A 25 -4.815 -15.979 5.697 1.00 0.00 C ATOM 390 C GLU A 25 -4.938 -15.266 7.051 1.00 0.00 C ATOM 391 O GLU A 25 -5.982 -15.273 7.671 1.00 0.00 O ATOM 392 CB GLU A 25 -4.867 -17.510 5.892 1.00 0.00 C ATOM 393 CG GLU A 25 -6.324 -17.981 5.975 1.00 0.00 C ATOM 394 CD GLU A 25 -6.360 -19.471 6.319 1.00 0.00 C ATOM 395 OE1 GLU A 25 -5.529 -20.199 5.803 1.00 0.00 O ATOM 396 OE2 GLU A 25 -7.218 -19.858 7.095 1.00 0.00 O ATOM 0 H GLU A 25 -3.637 -14.986 4.226 1.00 0.00 H new ATOM 0 HA GLU A 25 -5.649 -15.680 5.062 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -4.362 -18.007 5.064 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -4.335 -17.787 6.802 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -6.860 -17.409 6.733 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -6.829 -17.804 5.026 1.00 0.00 H new ATOM 403 N THR A 26 -3.880 -14.645 7.515 1.00 0.00 N ATOM 404 CA THR A 26 -3.941 -13.927 8.829 1.00 0.00 C ATOM 405 C THR A 26 -4.331 -12.468 8.599 1.00 0.00 C ATOM 406 O THR A 26 -3.925 -11.854 7.639 1.00 0.00 O ATOM 407 CB THR A 26 -2.572 -13.979 9.512 1.00 0.00 C ATOM 408 OG1 THR A 26 -1.652 -13.175 8.788 1.00 0.00 O ATOM 409 CG2 THR A 26 -2.067 -15.424 9.555 1.00 0.00 C ATOM 0 H THR A 26 -2.977 -14.604 7.042 1.00 0.00 H new ATOM 0 HA THR A 26 -4.684 -14.410 9.464 1.00 0.00 H new ATOM 0 HB THR A 26 -2.663 -13.602 10.531 1.00 0.00 H new ATOM 0 HG1 THR A 26 -1.464 -13.592 7.921 1.00 0.00 H new ATOM 0 HG21 THR A 26 -1.092 -15.454 10.042 1.00 0.00 H new ATOM 0 HG22 THR A 26 -2.772 -16.039 10.114 1.00 0.00 H new ATOM 0 HG23 THR A 26 -1.977 -15.808 8.539 1.00 0.00 H new ATOM 417 N ALA A 27 -5.125 -11.911 9.467 1.00 0.00 N ATOM 418 CA ALA A 27 -5.551 -10.493 9.289 1.00 0.00 C ATOM 419 C ALA A 27 -4.332 -9.566 9.316 1.00 0.00 C ATOM 420 O ALA A 27 -3.688 -9.399 10.333 1.00 0.00 O ATOM 421 CB ALA A 27 -6.507 -10.105 10.419 1.00 0.00 C ATOM 0 H ALA A 27 -5.499 -12.375 10.294 1.00 0.00 H new ATOM 0 HA ALA A 27 -6.053 -10.392 8.327 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -6.820 -9.069 10.291 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -7.382 -10.754 10.394 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -6.001 -10.215 11.378 1.00 0.00 H new ATOM 427 N LEU A 28 -4.023 -8.946 8.207 1.00 0.00 N ATOM 428 CA LEU A 28 -2.860 -8.011 8.168 1.00 0.00 C ATOM 429 C LEU A 28 -3.265 -6.721 8.888 1.00 0.00 C ATOM 430 O LEU A 28 -4.295 -6.145 8.604 1.00 0.00 O ATOM 431 CB LEU A 28 -2.507 -7.718 6.701 1.00 0.00 C ATOM 432 CG LEU A 28 -1.241 -6.841 6.584 1.00 0.00 C ATOM 433 CD1 LEU A 28 -0.033 -7.513 7.276 1.00 0.00 C ATOM 434 CD2 LEU A 28 -0.927 -6.625 5.091 1.00 0.00 C ATOM 0 H LEU A 28 -4.527 -9.047 7.326 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.989 -8.446 8.658 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.350 -8.657 6.170 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -3.345 -7.215 6.218 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.424 -5.886 7.077 1.00 0.00 H new ATOM 0 HD11 LEU A 28 0.844 -6.874 7.178 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.256 -7.664 8.332 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.166 -8.476 6.806 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.035 -6.007 4.993 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.755 -7.589 4.612 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.769 -6.126 4.611 1.00 0.00 H new ATOM 446 N ASP A 29 -2.474 -6.271 9.831 1.00 0.00 N ATOM 447 CA ASP A 29 -2.827 -5.026 10.588 1.00 0.00 C ATOM 448 C ASP A 29 -2.125 -3.815 9.975 1.00 0.00 C ATOM 449 O ASP A 29 -0.958 -3.578 10.217 1.00 0.00 O ATOM 450 CB ASP A 29 -2.380 -5.178 12.042 1.00 0.00 C ATOM 451 CG ASP A 29 -2.900 -6.502 12.606 1.00 0.00 C ATOM 452 OD1 ASP A 29 -3.474 -7.266 11.845 1.00 0.00 O ATOM 453 OD2 ASP A 29 -2.718 -6.731 13.791 1.00 0.00 O ATOM 0 H ASP A 29 -1.598 -6.712 10.111 1.00 0.00 H new ATOM 0 HA ASP A 29 -3.905 -4.876 10.539 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -1.292 -5.148 12.103 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -2.756 -4.346 12.637 1.00 0.00 H new ATOM 458 N LEU A 30 -2.837 -3.043 9.187 1.00 0.00 N ATOM 459 CA LEU A 30 -2.243 -1.820 8.545 1.00 0.00 C ATOM 460 C LEU A 30 -3.045 -0.584 8.968 1.00 0.00 C ATOM 461 O LEU A 30 -4.259 -0.581 8.962 1.00 0.00 O ATOM 462 CB LEU A 30 -2.253 -1.979 7.011 1.00 0.00 C ATOM 463 CG LEU A 30 -3.677 -1.890 6.425 1.00 0.00 C ATOM 464 CD1 LEU A 30 -3.591 -2.105 4.908 1.00 0.00 C ATOM 465 CD2 LEU A 30 -4.594 -2.964 7.048 1.00 0.00 C ATOM 0 H LEU A 30 -3.817 -3.209 8.957 1.00 0.00 H new ATOM 0 HA LEU A 30 -1.210 -1.697 8.871 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.629 -1.206 6.563 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.812 -2.939 6.744 1.00 0.00 H new ATOM 0 HG LEU A 30 -4.099 -0.911 6.650 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -4.590 -2.046 4.475 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -2.958 -1.335 4.467 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -3.165 -3.087 4.703 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -5.593 -2.882 6.620 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -4.189 -3.954 6.838 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -4.648 -2.815 8.126 1.00 0.00 H new ATOM 477 N THR A 31 -2.368 0.467 9.346 1.00 0.00 N ATOM 478 CA THR A 31 -3.082 1.704 9.778 1.00 0.00 C ATOM 479 C THR A 31 -4.098 2.106 8.696 1.00 0.00 C ATOM 480 O THR A 31 -3.904 1.811 7.534 1.00 0.00 O ATOM 481 CB THR A 31 -2.051 2.828 9.963 1.00 0.00 C ATOM 482 OG1 THR A 31 -1.152 2.823 8.863 1.00 0.00 O ATOM 483 CG2 THR A 31 -1.267 2.603 11.259 1.00 0.00 C ATOM 0 H THR A 31 -1.350 0.523 9.374 1.00 0.00 H new ATOM 0 HA THR A 31 -3.608 1.528 10.716 1.00 0.00 H new ATOM 0 HB THR A 31 -2.566 3.787 10.016 1.00 0.00 H new ATOM 0 HG1 THR A 31 -0.710 3.695 8.798 1.00 0.00 H new ATOM 0 HG21 THR A 31 -0.537 3.402 11.386 1.00 0.00 H new ATOM 0 HG22 THR A 31 -1.955 2.602 12.105 1.00 0.00 H new ATOM 0 HG23 THR A 31 -0.750 1.644 11.210 1.00 0.00 H new ATOM 491 N PRO A 32 -5.171 2.779 9.057 1.00 0.00 N ATOM 492 CA PRO A 32 -6.199 3.209 8.060 1.00 0.00 C ATOM 493 C PRO A 32 -5.576 4.116 6.992 1.00 0.00 C ATOM 494 O PRO A 32 -5.802 3.947 5.808 1.00 0.00 O ATOM 495 CB PRO A 32 -7.255 3.959 8.907 1.00 0.00 C ATOM 496 CG PRO A 32 -6.546 4.323 10.177 1.00 0.00 C ATOM 497 CD PRO A 32 -5.532 3.205 10.422 1.00 0.00 C ATOM 0 HA PRO A 32 -6.635 2.374 7.512 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -7.618 4.847 8.389 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -8.122 3.329 9.106 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -6.049 5.289 10.085 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -7.248 4.404 11.007 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -4.664 3.562 10.976 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -5.964 2.387 10.999 1.00 0.00 H new ATOM 505 N LYS A 33 -4.776 5.064 7.399 1.00 0.00 N ATOM 506 CA LYS A 33 -4.125 5.959 6.406 1.00 0.00 C ATOM 507 C LYS A 33 -3.347 5.097 5.414 1.00 0.00 C ATOM 508 O LYS A 33 -3.448 5.265 4.216 1.00 0.00 O ATOM 509 CB LYS A 33 -3.165 6.912 7.122 1.00 0.00 C ATOM 510 CG LYS A 33 -3.963 7.892 7.983 1.00 0.00 C ATOM 511 CD LYS A 33 -3.000 8.811 8.738 1.00 0.00 C ATOM 512 CE LYS A 33 -3.788 9.694 9.708 1.00 0.00 C ATOM 513 NZ LYS A 33 -2.840 10.423 10.596 1.00 0.00 N ATOM 0 H LYS A 33 -4.547 5.255 8.374 1.00 0.00 H new ATOM 0 HA LYS A 33 -4.879 6.546 5.881 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -2.472 6.346 7.744 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -2.566 7.457 6.392 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -4.630 8.483 7.356 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -4.589 7.346 8.688 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -2.267 8.217 9.284 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -2.446 9.431 8.034 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -4.403 10.403 9.154 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -4.466 9.083 10.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -3.374 11.024 11.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -2.272 9.738 11.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -2.211 11.017 10.019 1.00 0.00 H new ATOM 527 N GLU A 34 -2.580 4.160 5.907 1.00 0.00 N ATOM 528 CA GLU A 34 -1.806 3.274 4.996 1.00 0.00 C ATOM 529 C GLU A 34 -2.767 2.615 4.006 1.00 0.00 C ATOM 530 O GLU A 34 -2.443 2.412 2.852 1.00 0.00 O ATOM 531 CB GLU A 34 -1.093 2.192 5.813 1.00 0.00 C ATOM 532 CG GLU A 34 -0.349 1.241 4.868 1.00 0.00 C ATOM 533 CD GLU A 34 0.587 0.341 5.676 1.00 0.00 C ATOM 534 OE1 GLU A 34 0.309 0.126 6.844 1.00 0.00 O ATOM 535 OE2 GLU A 34 1.566 -0.118 5.111 1.00 0.00 O ATOM 0 H GLU A 34 -2.458 3.972 6.902 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.064 3.862 4.455 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -0.392 2.651 6.510 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -1.817 1.636 6.409 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -1.063 0.634 4.311 1.00 0.00 H new ATOM 0 HG3 GLU A 34 0.222 1.813 4.136 1.00 0.00 H new ATOM 542 N TYR A 35 -3.950 2.280 4.447 1.00 0.00 N ATOM 543 CA TYR A 35 -4.929 1.637 3.528 1.00 0.00 C ATOM 544 C TYR A 35 -5.168 2.560 2.330 1.00 0.00 C ATOM 545 O TYR A 35 -5.404 2.113 1.226 1.00 0.00 O ATOM 546 CB TYR A 35 -6.251 1.386 4.279 1.00 0.00 C ATOM 547 CG TYR A 35 -7.053 0.309 3.567 1.00 0.00 C ATOM 548 CD1 TYR A 35 -7.693 0.598 2.353 1.00 0.00 C ATOM 549 CD2 TYR A 35 -7.148 -0.978 4.115 1.00 0.00 C ATOM 550 CE1 TYR A 35 -8.423 -0.397 1.691 1.00 0.00 C ATOM 551 CE2 TYR A 35 -7.879 -1.969 3.453 1.00 0.00 C ATOM 552 CZ TYR A 35 -8.514 -1.680 2.244 1.00 0.00 C ATOM 553 OH TYR A 35 -9.229 -2.663 1.595 1.00 0.00 O ATOM 0 H TYR A 35 -4.279 2.424 5.402 1.00 0.00 H new ATOM 0 HA TYR A 35 -4.539 0.682 3.175 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -6.044 1.080 5.305 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -6.830 2.308 4.332 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -7.623 1.589 1.928 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -6.656 -1.204 5.049 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -8.915 -0.175 0.756 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -7.952 -2.959 3.878 1.00 0.00 H new ATOM 0 HH TYR A 35 -9.803 -3.129 2.238 1.00 0.00 H new ATOM 563 N ALA A 36 -5.098 3.847 2.538 1.00 0.00 N ATOM 564 CA ALA A 36 -5.313 4.793 1.406 1.00 0.00 C ATOM 565 C ALA A 36 -4.164 4.643 0.407 1.00 0.00 C ATOM 566 O ALA A 36 -4.376 4.481 -0.780 1.00 0.00 O ATOM 567 CB ALA A 36 -5.350 6.229 1.934 1.00 0.00 C ATOM 0 H ALA A 36 -4.902 4.283 3.439 1.00 0.00 H new ATOM 0 HA ALA A 36 -6.260 4.569 0.915 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -5.507 6.918 1.104 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -6.165 6.332 2.651 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.404 6.461 2.424 1.00 0.00 H new ATOM 573 N LEU A 37 -2.947 4.682 0.878 1.00 0.00 N ATOM 574 CA LEU A 37 -1.795 4.526 -0.049 1.00 0.00 C ATOM 575 C LEU A 37 -1.931 3.176 -0.750 1.00 0.00 C ATOM 576 O LEU A 37 -1.661 3.036 -1.926 1.00 0.00 O ATOM 577 CB LEU A 37 -0.478 4.560 0.736 1.00 0.00 C ATOM 578 CG LEU A 37 -0.190 5.981 1.239 1.00 0.00 C ATOM 579 CD1 LEU A 37 -1.247 6.416 2.269 1.00 0.00 C ATOM 580 CD2 LEU A 37 1.201 6.012 1.888 1.00 0.00 C ATOM 0 H LEU A 37 -2.704 4.814 1.860 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.790 5.339 -0.775 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.533 3.873 1.580 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.340 4.220 0.101 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.225 6.669 0.395 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.025 7.426 2.614 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -2.234 6.399 1.807 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.232 5.732 3.117 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.412 7.019 2.248 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.227 5.315 2.725 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.952 5.724 1.152 1.00 0.00 H new ATOM 592 N LEU A 38 -2.359 2.180 -0.023 1.00 0.00 N ATOM 593 CA LEU A 38 -2.531 0.829 -0.621 1.00 0.00 C ATOM 594 C LEU A 38 -3.489 0.927 -1.810 1.00 0.00 C ATOM 595 O LEU A 38 -3.272 0.331 -2.846 1.00 0.00 O ATOM 596 CB LEU A 38 -3.120 -0.113 0.439 1.00 0.00 C ATOM 597 CG LEU A 38 -3.097 -1.579 -0.056 1.00 0.00 C ATOM 598 CD1 LEU A 38 -1.702 -2.197 0.136 1.00 0.00 C ATOM 599 CD2 LEU A 38 -4.117 -2.402 0.741 1.00 0.00 C ATOM 0 H LEU A 38 -2.598 2.247 0.966 1.00 0.00 H new ATOM 0 HA LEU A 38 -1.570 0.443 -0.960 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.551 -0.028 1.365 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.144 0.183 0.666 1.00 0.00 H new ATOM 0 HG LEU A 38 -3.347 -1.589 -1.117 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.709 -3.228 -0.219 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.969 -1.623 -0.431 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.438 -2.179 1.193 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.102 -3.435 0.394 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.861 -2.372 1.800 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -5.114 -1.985 0.596 1.00 0.00 H new ATOM 611 N SER A 39 -4.552 1.670 -1.664 1.00 0.00 N ATOM 612 CA SER A 39 -5.532 1.804 -2.775 1.00 0.00 C ATOM 613 C SER A 39 -4.810 2.259 -4.041 1.00 0.00 C ATOM 614 O SER A 39 -5.106 1.812 -5.130 1.00 0.00 O ATOM 615 CB SER A 39 -6.595 2.835 -2.398 1.00 0.00 C ATOM 616 OG SER A 39 -7.640 2.806 -3.362 1.00 0.00 O ATOM 0 H SER A 39 -4.783 2.192 -0.819 1.00 0.00 H new ATOM 0 HA SER A 39 -6.008 0.840 -2.955 1.00 0.00 H new ATOM 0 HB2 SER A 39 -6.993 2.618 -1.407 1.00 0.00 H new ATOM 0 HB3 SER A 39 -6.153 3.830 -2.353 1.00 0.00 H new ATOM 0 HG SER A 39 -8.324 3.465 -3.122 1.00 0.00 H new ATOM 622 N ARG A 40 -3.863 3.145 -3.910 1.00 0.00 N ATOM 623 CA ARG A 40 -3.124 3.624 -5.111 1.00 0.00 C ATOM 624 C ARG A 40 -2.120 2.555 -5.551 1.00 0.00 C ATOM 625 O ARG A 40 -1.996 2.251 -6.721 1.00 0.00 O ATOM 626 CB ARG A 40 -2.386 4.922 -4.751 1.00 0.00 C ATOM 627 CG ARG A 40 -3.374 6.108 -4.694 1.00 0.00 C ATOM 628 CD ARG A 40 -3.688 6.635 -6.105 1.00 0.00 C ATOM 629 NE ARG A 40 -4.324 7.980 -5.996 1.00 0.00 N ATOM 630 CZ ARG A 40 -5.568 8.087 -5.613 1.00 0.00 C ATOM 631 NH1 ARG A 40 -6.256 7.016 -5.326 1.00 0.00 N ATOM 632 NH2 ARG A 40 -6.122 9.265 -5.519 1.00 0.00 N ATOM 0 H ARG A 40 -3.569 3.558 -3.025 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.819 3.814 -5.929 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.888 4.809 -3.788 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -1.610 5.123 -5.489 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -4.297 5.794 -4.206 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -2.950 6.910 -4.089 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -2.773 6.699 -6.694 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -4.354 5.946 -6.624 1.00 0.00 H new ATOM 0 HE ARG A 40 -3.787 8.817 -6.221 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -5.822 6.096 -5.401 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -7.228 7.099 -5.027 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -5.583 10.101 -5.745 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -7.094 9.349 -5.220 1.00 0.00 H new ATOM 646 N LEU A 41 -1.396 1.992 -4.628 1.00 0.00 N ATOM 647 CA LEU A 41 -0.392 0.953 -4.996 1.00 0.00 C ATOM 648 C LEU A 41 -1.079 -0.228 -5.693 1.00 0.00 C ATOM 649 O LEU A 41 -0.673 -0.649 -6.758 1.00 0.00 O ATOM 650 CB LEU A 41 0.311 0.452 -3.729 1.00 0.00 C ATOM 651 CG LEU A 41 1.215 1.556 -3.137 1.00 0.00 C ATOM 652 CD1 LEU A 41 1.524 1.232 -1.669 1.00 0.00 C ATOM 653 CD2 LEU A 41 2.541 1.653 -3.919 1.00 0.00 C ATOM 0 H LEU A 41 -1.454 2.205 -3.632 1.00 0.00 H new ATOM 0 HA LEU A 41 0.337 1.393 -5.677 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.431 0.147 -2.991 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.909 -0.429 -3.962 1.00 0.00 H new ATOM 0 HG LEU A 41 0.690 2.508 -3.210 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.162 2.011 -1.251 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.593 1.183 -1.104 1.00 0.00 H new ATOM 0 HD13 LEU A 41 2.037 0.272 -1.608 1.00 0.00 H new ATOM 0 HD21 LEU A 41 3.163 2.436 -3.486 1.00 0.00 H new ATOM 0 HD22 LEU A 41 3.067 0.700 -3.863 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.332 1.891 -4.962 1.00 0.00 H new ATOM 665 N MET A 42 -2.098 -0.780 -5.095 1.00 0.00 N ATOM 666 CA MET A 42 -2.781 -1.948 -5.723 1.00 0.00 C ATOM 667 C MET A 42 -3.421 -1.541 -7.054 1.00 0.00 C ATOM 668 O MET A 42 -3.414 -2.293 -8.008 1.00 0.00 O ATOM 669 CB MET A 42 -3.856 -2.486 -4.768 1.00 0.00 C ATOM 670 CG MET A 42 -5.009 -1.475 -4.621 1.00 0.00 C ATOM 671 SD MET A 42 -6.193 -1.701 -5.973 1.00 0.00 S ATOM 672 CE MET A 42 -7.584 -0.837 -5.201 1.00 0.00 C ATOM 0 H MET A 42 -2.487 -0.475 -4.203 1.00 0.00 H new ATOM 0 HA MET A 42 -2.044 -2.727 -5.917 1.00 0.00 H new ATOM 0 HB2 MET A 42 -4.242 -3.433 -5.144 1.00 0.00 H new ATOM 0 HB3 MET A 42 -3.415 -2.686 -3.792 1.00 0.00 H new ATOM 0 HG2 MET A 42 -5.507 -1.613 -3.661 1.00 0.00 H new ATOM 0 HG3 MET A 42 -4.618 -0.458 -4.633 1.00 0.00 H new ATOM 0 HE1 MET A 42 -8.441 -0.854 -5.874 1.00 0.00 H new ATOM 0 HE2 MET A 42 -7.846 -1.332 -4.266 1.00 0.00 H new ATOM 0 HE3 MET A 42 -7.303 0.196 -4.998 1.00 0.00 H new ATOM 682 N MET A 43 -3.974 -0.364 -7.130 1.00 0.00 N ATOM 683 CA MET A 43 -4.612 0.074 -8.404 1.00 0.00 C ATOM 684 C MET A 43 -3.585 -0.031 -9.529 1.00 0.00 C ATOM 685 O MET A 43 -3.925 -0.255 -10.674 1.00 0.00 O ATOM 686 CB MET A 43 -5.093 1.525 -8.265 1.00 0.00 C ATOM 687 CG MET A 43 -5.858 1.957 -9.523 1.00 0.00 C ATOM 688 SD MET A 43 -7.392 1.003 -9.666 1.00 0.00 S ATOM 689 CE MET A 43 -8.453 2.107 -8.702 1.00 0.00 C ATOM 0 H MET A 43 -4.013 0.313 -6.368 1.00 0.00 H new ATOM 0 HA MET A 43 -5.469 -0.560 -8.631 1.00 0.00 H new ATOM 0 HB2 MET A 43 -5.736 1.620 -7.390 1.00 0.00 H new ATOM 0 HB3 MET A 43 -4.240 2.184 -8.106 1.00 0.00 H new ATOM 0 HG2 MET A 43 -6.084 3.022 -9.474 1.00 0.00 H new ATOM 0 HG3 MET A 43 -5.239 1.803 -10.407 1.00 0.00 H new ATOM 0 HE1 MET A 43 -9.463 1.699 -8.663 1.00 0.00 H new ATOM 0 HE2 MET A 43 -8.059 2.198 -7.690 1.00 0.00 H new ATOM 0 HE3 MET A 43 -8.477 3.090 -9.171 1.00 0.00 H new ATOM 699 N LYS A 44 -2.328 0.132 -9.199 1.00 0.00 N ATOM 700 CA LYS A 44 -1.235 0.050 -10.222 1.00 0.00 C ATOM 701 C LYS A 44 -0.279 -1.090 -9.850 1.00 0.00 C ATOM 702 O LYS A 44 0.925 -0.955 -9.941 1.00 0.00 O ATOM 703 CB LYS A 44 -0.473 1.380 -10.225 1.00 0.00 C ATOM 704 CG LYS A 44 -1.296 2.447 -10.954 1.00 0.00 C ATOM 705 CD LYS A 44 -0.507 3.758 -10.998 1.00 0.00 C ATOM 706 CE LYS A 44 -1.372 4.853 -11.627 1.00 0.00 C ATOM 707 NZ LYS A 44 -1.665 4.504 -13.046 1.00 0.00 N ATOM 0 H LYS A 44 -2.006 0.321 -8.250 1.00 0.00 H new ATOM 0 HA LYS A 44 -1.654 -0.142 -11.210 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -0.273 1.698 -9.202 1.00 0.00 H new ATOM 0 HB3 LYS A 44 0.493 1.255 -10.714 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -1.527 2.115 -11.966 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -2.247 2.599 -10.444 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -0.208 4.049 -9.991 1.00 0.00 H new ATOM 0 HD3 LYS A 44 0.408 3.625 -11.576 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -2.302 4.961 -11.069 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -0.856 5.812 -11.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -2.010 5.348 -13.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -0.798 4.159 -13.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -2.392 3.761 -13.078 1.00 0.00 H new ATOM 721 N ALA A 45 -0.805 -2.209 -9.428 1.00 0.00 N ATOM 722 CA ALA A 45 0.074 -3.350 -9.050 1.00 0.00 C ATOM 723 C ALA A 45 0.849 -3.842 -10.277 1.00 0.00 C ATOM 724 O ALA A 45 0.293 -4.041 -11.338 1.00 0.00 O ATOM 725 CB ALA A 45 -0.786 -4.492 -8.501 1.00 0.00 C ATOM 0 H ALA A 45 -1.806 -2.381 -9.329 1.00 0.00 H new ATOM 0 HA ALA A 45 0.781 -3.021 -8.288 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -0.145 -5.329 -8.223 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -1.332 -4.147 -7.623 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -1.493 -4.814 -9.265 1.00 0.00 H new ATOM 731 N GLY A 46 2.137 -4.039 -10.135 1.00 0.00 N ATOM 732 CA GLY A 46 2.965 -4.520 -11.286 1.00 0.00 C ATOM 733 C GLY A 46 3.508 -3.322 -12.065 1.00 0.00 C ATOM 734 O GLY A 46 4.299 -3.470 -12.976 1.00 0.00 O ATOM 0 H GLY A 46 2.653 -3.887 -9.268 1.00 0.00 H new ATOM 0 HA2 GLY A 46 3.789 -5.134 -10.922 1.00 0.00 H new ATOM 0 HA3 GLY A 46 2.363 -5.150 -11.941 1.00 0.00 H new ATOM 738 N SER A 47 3.084 -2.133 -11.708 1.00 0.00 N ATOM 739 CA SER A 47 3.555 -0.890 -12.407 1.00 0.00 C ATOM 740 C SER A 47 4.211 0.042 -11.370 1.00 0.00 C ATOM 741 O SER A 47 3.541 0.504 -10.468 1.00 0.00 O ATOM 742 CB SER A 47 2.342 -0.176 -13.008 1.00 0.00 C ATOM 743 OG SER A 47 2.697 1.164 -13.325 1.00 0.00 O ATOM 0 H SER A 47 2.421 -1.967 -10.951 1.00 0.00 H new ATOM 0 HA SER A 47 4.269 -1.146 -13.190 1.00 0.00 H new ATOM 0 HB2 SER A 47 2.006 -0.697 -13.904 1.00 0.00 H new ATOM 0 HB3 SER A 47 1.512 -0.187 -12.302 1.00 0.00 H new ATOM 0 HG SER A 47 1.923 1.625 -13.712 1.00 0.00 H new ATOM 749 N PRO A 48 5.497 0.335 -11.466 1.00 0.00 N ATOM 750 CA PRO A 48 6.157 1.237 -10.475 1.00 0.00 C ATOM 751 C PRO A 48 5.339 2.510 -10.236 1.00 0.00 C ATOM 752 O PRO A 48 5.082 3.274 -11.147 1.00 0.00 O ATOM 753 CB PRO A 48 7.507 1.568 -11.134 1.00 0.00 C ATOM 754 CG PRO A 48 7.814 0.374 -11.981 1.00 0.00 C ATOM 755 CD PRO A 48 6.458 -0.146 -12.483 1.00 0.00 C ATOM 0 HA PRO A 48 6.260 0.773 -9.494 1.00 0.00 H new ATOM 0 HB2 PRO A 48 7.443 2.475 -11.735 1.00 0.00 H new ATOM 0 HB3 PRO A 48 8.283 1.735 -10.387 1.00 0.00 H new ATOM 0 HG2 PRO A 48 8.462 0.643 -12.815 1.00 0.00 H new ATOM 0 HG3 PRO A 48 8.336 -0.390 -11.405 1.00 0.00 H new ATOM 0 HD2 PRO A 48 6.222 0.244 -13.473 1.00 0.00 H new ATOM 0 HD3 PRO A 48 6.450 -1.233 -12.559 1.00 0.00 H new ATOM 763 N VAL A 49 4.920 2.736 -9.015 1.00 0.00 N ATOM 764 CA VAL A 49 4.106 3.948 -8.698 1.00 0.00 C ATOM 765 C VAL A 49 4.995 5.052 -8.131 1.00 0.00 C ATOM 766 O VAL A 49 5.848 4.813 -7.298 1.00 0.00 O ATOM 767 CB VAL A 49 3.046 3.579 -7.658 1.00 0.00 C ATOM 768 CG1 VAL A 49 2.230 4.822 -7.284 1.00 0.00 C ATOM 769 CG2 VAL A 49 2.119 2.514 -8.242 1.00 0.00 C ATOM 0 H VAL A 49 5.109 2.127 -8.219 1.00 0.00 H new ATOM 0 HA VAL A 49 3.633 4.307 -9.612 1.00 0.00 H new ATOM 0 HB VAL A 49 3.534 3.191 -6.764 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.477 4.553 -6.543 1.00 0.00 H new ATOM 0 HG12 VAL A 49 2.893 5.581 -6.869 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.739 5.216 -8.174 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.362 2.247 -7.505 1.00 0.00 H new ATOM 0 HG22 VAL A 49 1.633 2.905 -9.136 1.00 0.00 H new ATOM 0 HG23 VAL A 49 2.700 1.629 -8.502 1.00 0.00 H new ATOM 779 N HIS A 50 4.788 6.266 -8.562 1.00 0.00 N ATOM 780 CA HIS A 50 5.604 7.389 -8.033 1.00 0.00 C ATOM 781 C HIS A 50 5.321 7.542 -6.537 1.00 0.00 C ATOM 782 O HIS A 50 4.198 7.761 -6.125 1.00 0.00 O ATOM 783 CB HIS A 50 5.228 8.680 -8.764 1.00 0.00 C ATOM 784 CG HIS A 50 6.190 9.777 -8.395 1.00 0.00 C ATOM 785 ND1 HIS A 50 7.299 9.801 -7.581 1.00 0.00 N flip ATOM 786 CD2 HIS A 50 6.062 11.067 -8.893 1.00 0.00 C flip ATOM 787 CE1 HIS A 50 7.845 11.079 -7.578 1.00 0.00 C flip ATOM 788 NE2 HIS A 50 7.065 11.803 -8.382 1.00 0.00 N flip ATOM 0 H HIS A 50 4.089 6.526 -9.257 1.00 0.00 H new ATOM 0 HA HIS A 50 6.664 7.186 -8.189 1.00 0.00 H new ATOM 0 HB2 HIS A 50 5.246 8.516 -9.841 1.00 0.00 H new ATOM 0 HB3 HIS A 50 4.211 8.973 -8.503 1.00 0.00 H new ATOM 0 HD2 HIS A 50 5.295 11.416 -9.569 1.00 0.00 H new ATOM 0 HE1 HIS A 50 8.718 11.415 -7.038 1.00 0.00 H new ATOM 0 HE2 HIS A 50 7.211 12.792 -8.584 1.00 0.00 H new ATOM 797 N ARG A 51 6.331 7.427 -5.724 1.00 0.00 N ATOM 798 CA ARG A 51 6.137 7.561 -4.252 1.00 0.00 C ATOM 799 C ARG A 51 5.412 8.875 -3.965 1.00 0.00 C ATOM 800 O ARG A 51 4.841 9.073 -2.911 1.00 0.00 O ATOM 801 CB ARG A 51 7.508 7.559 -3.563 1.00 0.00 C ATOM 802 CG ARG A 51 7.336 7.345 -2.055 1.00 0.00 C ATOM 803 CD ARG A 51 8.662 7.621 -1.339 1.00 0.00 C ATOM 804 NE ARG A 51 9.779 6.977 -2.090 1.00 0.00 N ATOM 805 CZ ARG A 51 10.929 6.771 -1.506 1.00 0.00 C ATOM 806 NH1 ARG A 51 11.101 7.120 -0.261 1.00 0.00 N ATOM 807 NH2 ARG A 51 11.905 6.213 -2.170 1.00 0.00 N ATOM 0 H ARG A 51 7.291 7.244 -6.017 1.00 0.00 H new ATOM 0 HA ARG A 51 5.543 6.729 -3.873 1.00 0.00 H new ATOM 0 HB2 ARG A 51 8.133 6.771 -3.982 1.00 0.00 H new ATOM 0 HB3 ARG A 51 8.019 8.504 -3.749 1.00 0.00 H new ATOM 0 HG2 ARG A 51 6.560 8.006 -1.670 1.00 0.00 H new ATOM 0 HG3 ARG A 51 7.011 6.323 -1.858 1.00 0.00 H new ATOM 0 HD2 ARG A 51 8.831 8.695 -1.266 1.00 0.00 H new ATOM 0 HD3 ARG A 51 8.624 7.234 -0.321 1.00 0.00 H new ATOM 0 HE ARG A 51 9.644 6.697 -3.062 1.00 0.00 H new ATOM 0 HH11 ARG A 51 10.337 7.554 0.257 1.00 0.00 H new ATOM 0 HH12 ARG A 51 11.999 6.959 0.194 1.00 0.00 H new ATOM 0 HH21 ARG A 51 11.769 5.939 -3.143 1.00 0.00 H new ATOM 0 HH22 ARG A 51 12.804 6.051 -1.716 1.00 0.00 H new ATOM 821 N GLU A 52 5.430 9.770 -4.908 1.00 0.00 N ATOM 822 CA GLU A 52 4.748 11.075 -4.715 1.00 0.00 C ATOM 823 C GLU A 52 3.238 10.852 -4.599 1.00 0.00 C ATOM 824 O GLU A 52 2.598 11.354 -3.699 1.00 0.00 O ATOM 825 CB GLU A 52 5.052 11.976 -5.916 1.00 0.00 C ATOM 826 CG GLU A 52 4.277 13.289 -5.790 1.00 0.00 C ATOM 827 CD GLU A 52 4.804 14.299 -6.813 1.00 0.00 C ATOM 828 OE1 GLU A 52 4.648 14.050 -7.997 1.00 0.00 O ATOM 829 OE2 GLU A 52 5.353 15.304 -6.393 1.00 0.00 O ATOM 0 H GLU A 52 5.891 9.653 -5.810 1.00 0.00 H new ATOM 0 HA GLU A 52 5.106 11.550 -3.802 1.00 0.00 H new ATOM 0 HB2 GLU A 52 6.122 12.178 -5.968 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.778 11.469 -6.841 1.00 0.00 H new ATOM 0 HG2 GLU A 52 3.214 13.112 -5.953 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.382 13.689 -4.782 1.00 0.00 H new ATOM 836 N ILE A 53 2.661 10.101 -5.500 1.00 0.00 N ATOM 837 CA ILE A 53 1.191 9.852 -5.441 1.00 0.00 C ATOM 838 C ILE A 53 0.817 9.214 -4.101 1.00 0.00 C ATOM 839 O ILE A 53 -0.259 9.434 -3.582 1.00 0.00 O ATOM 840 CB ILE A 53 0.792 8.914 -6.584 1.00 0.00 C ATOM 841 CG1 ILE A 53 1.135 9.574 -7.925 1.00 0.00 C ATOM 842 CG2 ILE A 53 -0.715 8.640 -6.519 1.00 0.00 C ATOM 843 CD1 ILE A 53 1.009 8.545 -9.050 1.00 0.00 C ATOM 0 H ILE A 53 3.145 9.649 -6.275 1.00 0.00 H new ATOM 0 HA ILE A 53 0.663 10.800 -5.540 1.00 0.00 H new ATOM 0 HB ILE A 53 1.335 7.973 -6.491 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.466 10.414 -8.110 1.00 0.00 H new ATOM 0 HG13 ILE A 53 2.148 9.974 -7.896 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -0.999 7.972 -7.333 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -0.959 8.173 -5.565 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.260 9.579 -6.613 1.00 0.00 H new ATOM 0 HD11 ILE A 53 1.253 9.016 -10.002 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.696 7.719 -8.866 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -0.012 8.166 -9.084 1.00 0.00 H new ATOM 855 N LEU A 54 1.691 8.433 -3.531 1.00 0.00 N ATOM 856 CA LEU A 54 1.370 7.795 -2.222 1.00 0.00 C ATOM 857 C LEU A 54 1.278 8.882 -1.147 1.00 0.00 C ATOM 858 O LEU A 54 0.498 8.796 -0.223 1.00 0.00 O ATOM 859 CB LEU A 54 2.470 6.796 -1.851 1.00 0.00 C ATOM 860 CG LEU A 54 2.806 5.912 -3.057 1.00 0.00 C ATOM 861 CD1 LEU A 54 3.870 4.888 -2.648 1.00 0.00 C ATOM 862 CD2 LEU A 54 1.543 5.181 -3.541 1.00 0.00 C ATOM 0 H LEU A 54 2.610 8.209 -3.912 1.00 0.00 H new ATOM 0 HA LEU A 54 0.419 7.267 -2.294 1.00 0.00 H new ATOM 0 HB2 LEU A 54 3.361 7.330 -1.522 1.00 0.00 H new ATOM 0 HB3 LEU A 54 2.143 6.177 -1.016 1.00 0.00 H new ATOM 0 HG LEU A 54 3.186 6.534 -3.868 1.00 0.00 H new ATOM 0 HD11 LEU A 54 4.114 4.256 -3.502 1.00 0.00 H new ATOM 0 HD12 LEU A 54 4.767 5.409 -2.315 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.487 4.270 -1.836 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.791 4.555 -4.398 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.153 4.557 -2.737 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.788 5.912 -3.832 1.00 0.00 H new ATOM 874 N TYR A 55 2.058 9.917 -1.272 1.00 0.00 N ATOM 875 CA TYR A 55 1.995 11.013 -0.263 1.00 0.00 C ATOM 876 C TYR A 55 0.715 11.814 -0.499 1.00 0.00 C ATOM 877 O TYR A 55 0.102 12.320 0.420 1.00 0.00 O ATOM 878 CB TYR A 55 3.221 11.925 -0.408 1.00 0.00 C ATOM 879 CG TYR A 55 3.312 12.848 0.793 1.00 0.00 C ATOM 880 CD1 TYR A 55 3.571 12.314 2.063 1.00 0.00 C ATOM 881 CD2 TYR A 55 3.136 14.233 0.642 1.00 0.00 C ATOM 882 CE1 TYR A 55 3.652 13.158 3.176 1.00 0.00 C ATOM 883 CE2 TYR A 55 3.219 15.075 1.757 1.00 0.00 C ATOM 884 CZ TYR A 55 3.477 14.538 3.024 1.00 0.00 C ATOM 885 OH TYR A 55 3.558 15.369 4.122 1.00 0.00 O ATOM 0 H TYR A 55 2.734 10.053 -2.024 1.00 0.00 H new ATOM 0 HA TYR A 55 1.991 10.596 0.744 1.00 0.00 H new ATOM 0 HB2 TYR A 55 4.127 11.324 -0.487 1.00 0.00 H new ATOM 0 HB3 TYR A 55 3.146 12.510 -1.325 1.00 0.00 H new ATOM 0 HD1 TYR A 55 3.708 11.249 2.183 1.00 0.00 H new ATOM 0 HD2 TYR A 55 2.937 14.649 -0.335 1.00 0.00 H new ATOM 0 HE1 TYR A 55 3.850 12.744 4.154 1.00 0.00 H new ATOM 0 HE2 TYR A 55 3.084 16.140 1.640 1.00 0.00 H new ATOM 0 HH TYR A 55 3.414 16.297 3.841 1.00 0.00 H new ATOM 895 N ASN A 56 0.308 11.924 -1.733 1.00 0.00 N ATOM 896 CA ASN A 56 -0.931 12.679 -2.056 1.00 0.00 C ATOM 897 C ASN A 56 -2.144 11.973 -1.439 1.00 0.00 C ATOM 898 O ASN A 56 -3.176 12.576 -1.217 1.00 0.00 O ATOM 899 CB ASN A 56 -1.102 12.749 -3.576 1.00 0.00 C ATOM 900 CG ASN A 56 0.000 13.624 -4.177 1.00 0.00 C ATOM 901 OD1 ASN A 56 1.124 13.073 -4.550 1.00 0.00 O flip ATOM 902 ND2 ASN A 56 -0.163 14.820 -4.310 1.00 0.00 N flip ATOM 0 H ASN A 56 0.786 11.519 -2.538 1.00 0.00 H new ATOM 0 HA ASN A 56 -0.855 13.687 -1.649 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -1.059 11.747 -4.003 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -2.081 13.159 -3.823 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -1.041 15.251 -4.019 1.00 0.00 H new ATOM 0 HD22 ASN A 56 0.578 15.394 -4.713 1.00 0.00 H new ATOM 909 N ASP A 57 -2.033 10.701 -1.163 1.00 0.00 N ATOM 910 CA ASP A 57 -3.187 9.975 -0.568 1.00 0.00 C ATOM 911 C ASP A 57 -3.621 10.684 0.717 1.00 0.00 C ATOM 912 O ASP A 57 -4.765 11.060 0.877 1.00 0.00 O ATOM 913 CB ASP A 57 -2.780 8.533 -0.254 1.00 0.00 C ATOM 914 CG ASP A 57 -2.665 7.737 -1.556 1.00 0.00 C ATOM 915 OD1 ASP A 57 -1.819 8.083 -2.364 1.00 0.00 O ATOM 916 OD2 ASP A 57 -3.425 6.798 -1.724 1.00 0.00 O ATOM 0 H ASP A 57 -1.198 10.138 -1.323 1.00 0.00 H new ATOM 0 HA ASP A 57 -4.017 9.965 -1.274 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -1.828 8.521 0.277 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -3.517 8.071 0.403 1.00 0.00 H new ATOM 1089 N THR A 69 9.849 13.373 7.622 1.00 0.00 N ATOM 1090 CA THR A 69 9.199 12.264 8.380 1.00 0.00 C ATOM 1091 C THR A 69 8.193 11.528 7.481 1.00 0.00 C ATOM 1092 O THR A 69 7.654 10.507 7.855 1.00 0.00 O ATOM 1093 CB THR A 69 8.481 12.831 9.618 1.00 0.00 C ATOM 1094 OG1 THR A 69 9.295 13.832 10.213 1.00 0.00 O ATOM 1095 CG2 THR A 69 8.227 11.715 10.635 1.00 0.00 C ATOM 0 HA THR A 69 9.964 11.558 8.702 1.00 0.00 H new ATOM 0 HB THR A 69 7.526 13.260 9.313 1.00 0.00 H new ATOM 0 HG1 THR A 69 9.789 14.309 9.514 1.00 0.00 H new ATOM 0 HG21 THR A 69 7.719 12.126 11.507 1.00 0.00 H new ATOM 0 HG22 THR A 69 7.604 10.944 10.181 1.00 0.00 H new ATOM 0 HG23 THR A 69 9.178 11.279 10.941 1.00 0.00 H new ATOM 1103 N LEU A 70 7.938 12.031 6.302 1.00 0.00 N ATOM 1104 CA LEU A 70 6.971 11.343 5.403 1.00 0.00 C ATOM 1105 C LEU A 70 7.590 10.036 4.901 1.00 0.00 C ATOM 1106 O LEU A 70 6.945 9.007 4.868 1.00 0.00 O ATOM 1107 CB LEU A 70 6.623 12.264 4.217 1.00 0.00 C ATOM 1108 CG LEU A 70 7.906 12.671 3.423 1.00 0.00 C ATOM 1109 CD1 LEU A 70 8.055 11.811 2.155 1.00 0.00 C ATOM 1110 CD2 LEU A 70 7.821 14.149 3.002 1.00 0.00 C ATOM 0 H LEU A 70 8.355 12.883 5.926 1.00 0.00 H new ATOM 0 HA LEU A 70 6.055 11.115 5.949 1.00 0.00 H new ATOM 0 HB2 LEU A 70 5.926 11.756 3.551 1.00 0.00 H new ATOM 0 HB3 LEU A 70 6.120 13.159 4.583 1.00 0.00 H new ATOM 0 HG LEU A 70 8.767 12.515 4.074 1.00 0.00 H new ATOM 0 HD11 LEU A 70 8.954 12.110 1.616 1.00 0.00 H new ATOM 0 HD12 LEU A 70 8.132 10.760 2.435 1.00 0.00 H new ATOM 0 HD13 LEU A 70 7.184 11.953 1.515 1.00 0.00 H new ATOM 0 HD21 LEU A 70 8.720 14.422 2.449 1.00 0.00 H new ATOM 0 HD22 LEU A 70 6.947 14.297 2.368 1.00 0.00 H new ATOM 0 HD23 LEU A 70 7.736 14.776 3.890 1.00 0.00 H new ATOM 1122 N GLU A 71 8.836 10.066 4.514 1.00 0.00 N ATOM 1123 CA GLU A 71 9.494 8.824 4.022 1.00 0.00 C ATOM 1124 C GLU A 71 9.739 7.880 5.195 1.00 0.00 C ATOM 1125 O GLU A 71 9.690 6.674 5.056 1.00 0.00 O ATOM 1126 CB GLU A 71 10.828 9.178 3.366 1.00 0.00 C ATOM 1127 CG GLU A 71 11.467 7.913 2.789 1.00 0.00 C ATOM 1128 CD GLU A 71 12.713 8.289 1.987 1.00 0.00 C ATOM 1129 OE1 GLU A 71 12.558 8.747 0.867 1.00 0.00 O ATOM 1130 OE2 GLU A 71 13.803 8.113 2.506 1.00 0.00 O ATOM 0 H GLU A 71 9.426 10.898 4.518 1.00 0.00 H new ATOM 0 HA GLU A 71 8.849 8.337 3.291 1.00 0.00 H new ATOM 0 HB2 GLU A 71 10.673 9.912 2.576 1.00 0.00 H new ATOM 0 HB3 GLU A 71 11.495 9.634 4.098 1.00 0.00 H new ATOM 0 HG2 GLU A 71 11.733 7.228 3.594 1.00 0.00 H new ATOM 0 HG3 GLU A 71 10.754 7.392 2.150 1.00 0.00 H new ATOM 1137 N VAL A 72 10.001 8.417 6.353 1.00 0.00 N ATOM 1138 CA VAL A 72 10.248 7.546 7.533 1.00 0.00 C ATOM 1139 C VAL A 72 8.939 6.891 7.947 1.00 0.00 C ATOM 1140 O VAL A 72 8.900 5.729 8.303 1.00 0.00 O ATOM 1141 CB VAL A 72 10.787 8.384 8.686 1.00 0.00 C ATOM 1142 CG1 VAL A 72 11.056 7.484 9.894 1.00 0.00 C ATOM 1143 CG2 VAL A 72 12.087 9.067 8.257 1.00 0.00 C ATOM 0 H VAL A 72 10.055 9.420 6.533 1.00 0.00 H new ATOM 0 HA VAL A 72 10.980 6.780 7.277 1.00 0.00 H new ATOM 0 HB VAL A 72 10.051 9.141 8.957 1.00 0.00 H new ATOM 0 HG11 VAL A 72 11.441 8.086 10.717 1.00 0.00 H new ATOM 0 HG12 VAL A 72 10.129 7.000 10.201 1.00 0.00 H new ATOM 0 HG13 VAL A 72 11.790 6.724 9.625 1.00 0.00 H new ATOM 0 HG21 VAL A 72 12.472 9.666 9.082 1.00 0.00 H new ATOM 0 HG22 VAL A 72 12.822 8.310 7.984 1.00 0.00 H new ATOM 0 HG23 VAL A 72 11.894 9.712 7.400 1.00 0.00 H new ATOM 1153 N HIS A 73 7.857 7.614 7.878 1.00 0.00 N ATOM 1154 CA HIS A 73 6.548 7.009 8.241 1.00 0.00 C ATOM 1155 C HIS A 73 6.359 5.777 7.362 1.00 0.00 C ATOM 1156 O HIS A 73 5.890 4.745 7.798 1.00 0.00 O ATOM 1157 CB HIS A 73 5.420 8.010 7.980 1.00 0.00 C ATOM 1158 CG HIS A 73 4.129 7.463 8.524 1.00 0.00 C ATOM 1159 ND1 HIS A 73 4.097 6.497 9.521 1.00 0.00 N ATOM 1160 CD2 HIS A 73 2.817 7.734 8.220 1.00 0.00 C ATOM 1161 CE1 HIS A 73 2.804 6.225 9.780 1.00 0.00 C ATOM 1162 NE2 HIS A 73 1.987 6.950 9.015 1.00 0.00 N ATOM 0 H HIS A 73 7.823 8.591 7.588 1.00 0.00 H new ATOM 0 HA HIS A 73 6.527 6.739 9.297 1.00 0.00 H new ATOM 0 HB2 HIS A 73 5.650 8.965 8.452 1.00 0.00 H new ATOM 0 HB3 HIS A 73 5.326 8.198 6.910 1.00 0.00 H new ATOM 0 HD2 HIS A 73 2.482 8.445 7.479 1.00 0.00 H new ATOM 0 HE1 HIS A 73 2.470 5.509 10.516 1.00 0.00 H new ATOM 0 HE2 HIS A 73 0.967 6.933 9.013 1.00 0.00 H new ATOM 1171 N ILE A 74 6.746 5.886 6.121 1.00 0.00 N ATOM 1172 CA ILE A 74 6.614 4.728 5.201 1.00 0.00 C ATOM 1173 C ILE A 74 7.531 3.617 5.697 1.00 0.00 C ATOM 1174 O ILE A 74 7.199 2.452 5.634 1.00 0.00 O ATOM 1175 CB ILE A 74 6.999 5.137 3.777 1.00 0.00 C ATOM 1176 CG1 ILE A 74 6.007 6.196 3.282 1.00 0.00 C ATOM 1177 CG2 ILE A 74 6.948 3.906 2.861 1.00 0.00 C ATOM 1178 CD1 ILE A 74 6.449 6.743 1.922 1.00 0.00 C ATOM 0 H ILE A 74 7.147 6.727 5.707 1.00 0.00 H new ATOM 0 HA ILE A 74 5.581 4.380 5.185 1.00 0.00 H new ATOM 0 HB ILE A 74 8.009 5.547 3.765 1.00 0.00 H new ATOM 0 HG12 ILE A 74 5.011 5.761 3.200 1.00 0.00 H new ATOM 0 HG13 ILE A 74 5.942 7.009 4.005 1.00 0.00 H new ATOM 0 HG21 ILE A 74 7.222 4.196 1.847 1.00 0.00 H new ATOM 0 HG22 ILE A 74 7.647 3.153 3.225 1.00 0.00 H new ATOM 0 HG23 ILE A 74 5.939 3.494 2.861 1.00 0.00 H new ATOM 0 HD11 ILE A 74 5.736 7.494 1.583 1.00 0.00 H new ATOM 0 HD12 ILE A 74 7.436 7.196 2.015 1.00 0.00 H new ATOM 0 HD13 ILE A 74 6.491 5.929 1.198 1.00 0.00 H new ATOM 1190 N HIS A 75 8.681 3.966 6.203 1.00 0.00 N ATOM 1191 CA HIS A 75 9.602 2.915 6.714 1.00 0.00 C ATOM 1192 C HIS A 75 8.915 2.196 7.874 1.00 0.00 C ATOM 1193 O HIS A 75 9.041 0.997 8.045 1.00 0.00 O ATOM 1194 CB HIS A 75 10.901 3.560 7.204 1.00 0.00 C ATOM 1195 CG HIS A 75 11.903 2.486 7.530 1.00 0.00 C ATOM 1196 ND1 HIS A 75 12.514 1.720 6.546 1.00 0.00 N ATOM 1197 CD2 HIS A 75 12.412 2.038 8.725 1.00 0.00 C ATOM 1198 CE1 HIS A 75 13.347 0.859 7.162 1.00 0.00 C ATOM 1199 NE2 HIS A 75 13.321 1.013 8.486 1.00 0.00 N ATOM 0 H HIS A 75 9.020 4.925 6.284 1.00 0.00 H new ATOM 0 HA HIS A 75 9.839 2.206 5.920 1.00 0.00 H new ATOM 0 HB2 HIS A 75 11.301 4.225 6.438 1.00 0.00 H new ATOM 0 HB3 HIS A 75 10.706 4.170 8.086 1.00 0.00 H new ATOM 0 HD2 HIS A 75 12.147 2.422 9.699 1.00 0.00 H new ATOM 0 HE1 HIS A 75 13.960 0.134 6.647 1.00 0.00 H new ATOM 0 HE2 HIS A 75 13.856 0.489 9.179 1.00 0.00 H new ATOM 1208 N ASN A 76 8.174 2.924 8.662 1.00 0.00 N ATOM 1209 CA ASN A 76 7.462 2.296 9.806 1.00 0.00 C ATOM 1210 C ASN A 76 6.312 1.445 9.272 1.00 0.00 C ATOM 1211 O ASN A 76 6.068 0.349 9.735 1.00 0.00 O ATOM 1212 CB ASN A 76 6.909 3.386 10.728 1.00 0.00 C ATOM 1213 CG ASN A 76 6.368 2.745 12.008 1.00 0.00 C ATOM 1214 OD1 ASN A 76 6.230 1.542 12.087 1.00 0.00 O ATOM 1215 ND2 ASN A 76 6.054 3.506 13.021 1.00 0.00 N ATOM 0 H ASN A 76 8.031 3.929 8.562 1.00 0.00 H new ATOM 0 HA ASN A 76 8.153 1.668 10.368 1.00 0.00 H new ATOM 0 HB2 ASN A 76 7.693 4.104 10.971 1.00 0.00 H new ATOM 0 HB3 ASN A 76 6.117 3.938 10.222 1.00 0.00 H new ATOM 0 HD21 ASN A 76 5.693 3.089 13.879 1.00 0.00 H new ATOM 0 HD22 ASN A 76 6.170 4.517 12.954 1.00 0.00 H new ATOM 1222 N LEU A 77 5.602 1.942 8.298 1.00 0.00 N ATOM 1223 CA LEU A 77 4.467 1.163 7.730 1.00 0.00 C ATOM 1224 C LEU A 77 5.012 -0.025 6.939 1.00 0.00 C ATOM 1225 O LEU A 77 4.457 -1.104 6.961 1.00 0.00 O ATOM 1226 CB LEU A 77 3.647 2.054 6.793 1.00 0.00 C ATOM 1227 CG LEU A 77 3.009 3.214 7.575 1.00 0.00 C ATOM 1228 CD1 LEU A 77 2.403 4.207 6.578 1.00 0.00 C ATOM 1229 CD2 LEU A 77 1.906 2.692 8.524 1.00 0.00 C ATOM 0 H LEU A 77 5.759 2.855 7.871 1.00 0.00 H new ATOM 0 HA LEU A 77 3.834 0.807 8.543 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.287 2.448 6.004 1.00 0.00 H new ATOM 0 HB3 LEU A 77 2.870 1.464 6.308 1.00 0.00 H new ATOM 0 HG LEU A 77 3.775 3.704 8.177 1.00 0.00 H new ATOM 0 HD11 LEU A 77 1.947 5.035 7.121 1.00 0.00 H new ATOM 0 HD12 LEU A 77 3.186 4.590 5.924 1.00 0.00 H new ATOM 0 HD13 LEU A 77 1.644 3.704 5.979 1.00 0.00 H new ATOM 0 HD21 LEU A 77 1.468 3.529 9.068 1.00 0.00 H new ATOM 0 HD22 LEU A 77 1.132 2.192 7.942 1.00 0.00 H new ATOM 0 HD23 LEU A 77 2.340 1.986 9.233 1.00 0.00 H new ATOM 1241 N ARG A 78 6.095 0.163 6.240 1.00 0.00 N ATOM 1242 CA ARG A 78 6.678 -0.954 5.444 1.00 0.00 C ATOM 1243 C ARG A 78 6.825 -2.196 6.329 1.00 0.00 C ATOM 1244 O ARG A 78 6.453 -3.288 5.949 1.00 0.00 O ATOM 1245 CB ARG A 78 8.053 -0.533 4.918 1.00 0.00 C ATOM 1246 CG ARG A 78 8.539 -1.541 3.874 1.00 0.00 C ATOM 1247 CD ARG A 78 10.007 -1.269 3.543 1.00 0.00 C ATOM 1248 NE ARG A 78 10.855 -1.630 4.715 1.00 0.00 N ATOM 1249 CZ ARG A 78 12.152 -1.701 4.585 1.00 0.00 C ATOM 1250 NH1 ARG A 78 12.709 -1.455 3.431 1.00 0.00 N ATOM 1251 NH2 ARG A 78 12.892 -2.019 5.612 1.00 0.00 N ATOM 0 H ARG A 78 6.604 1.045 6.185 1.00 0.00 H new ATOM 0 HA ARG A 78 6.021 -1.187 4.606 1.00 0.00 H new ATOM 0 HB2 ARG A 78 7.995 0.462 4.477 1.00 0.00 H new ATOM 0 HB3 ARG A 78 8.765 -0.476 5.741 1.00 0.00 H new ATOM 0 HG2 ARG A 78 8.423 -2.557 4.253 1.00 0.00 H new ATOM 0 HG3 ARG A 78 7.932 -1.466 2.972 1.00 0.00 H new ATOM 0 HD2 ARG A 78 10.308 -1.849 2.670 1.00 0.00 H new ATOM 0 HD3 ARG A 78 10.145 -0.218 3.290 1.00 0.00 H new ATOM 0 HE ARG A 78 10.422 -1.821 5.618 1.00 0.00 H new ATOM 0 HH11 ARG A 78 12.131 -1.207 2.628 1.00 0.00 H new ATOM 0 HH12 ARG A 78 13.723 -1.511 3.332 1.00 0.00 H new ATOM 0 HH21 ARG A 78 12.457 -2.212 6.514 1.00 0.00 H new ATOM 0 HH22 ARG A 78 13.906 -2.075 5.512 1.00 0.00 H new ATOM 1265 N GLU A 79 7.375 -2.037 7.499 1.00 0.00 N ATOM 1266 CA GLU A 79 7.558 -3.208 8.403 1.00 0.00 C ATOM 1267 C GLU A 79 6.199 -3.811 8.783 1.00 0.00 C ATOM 1268 O GLU A 79 6.107 -4.973 9.125 1.00 0.00 O ATOM 1269 CB GLU A 79 8.286 -2.759 9.671 1.00 0.00 C ATOM 1270 CG GLU A 79 9.640 -2.155 9.296 1.00 0.00 C ATOM 1271 CD GLU A 79 10.367 -1.701 10.562 1.00 0.00 C ATOM 1272 OE1 GLU A 79 9.702 -1.516 11.569 1.00 0.00 O ATOM 1273 OE2 GLU A 79 11.575 -1.547 10.505 1.00 0.00 O ATOM 0 H GLU A 79 7.706 -1.147 7.870 1.00 0.00 H new ATOM 0 HA GLU A 79 8.146 -3.965 7.884 1.00 0.00 H new ATOM 0 HB2 GLU A 79 7.685 -2.025 10.208 1.00 0.00 H new ATOM 0 HB3 GLU A 79 8.427 -3.607 10.341 1.00 0.00 H new ATOM 0 HG2 GLU A 79 10.242 -2.890 8.762 1.00 0.00 H new ATOM 0 HG3 GLU A 79 9.499 -1.310 8.623 1.00 0.00 H new ATOM 1280 N LYS A 80 5.146 -3.037 8.742 1.00 0.00 N ATOM 1281 CA LYS A 80 3.809 -3.580 9.120 1.00 0.00 C ATOM 1282 C LYS A 80 3.253 -4.465 7.998 1.00 0.00 C ATOM 1283 O LYS A 80 2.711 -5.524 8.244 1.00 0.00 O ATOM 1284 CB LYS A 80 2.843 -2.422 9.379 1.00 0.00 C ATOM 1285 CG LYS A 80 3.345 -1.595 10.563 1.00 0.00 C ATOM 1286 CD LYS A 80 2.325 -0.506 10.896 1.00 0.00 C ATOM 1287 CE LYS A 80 2.924 0.457 11.923 1.00 0.00 C ATOM 1288 NZ LYS A 80 3.472 -0.320 13.070 1.00 0.00 N ATOM 0 H LYS A 80 5.154 -2.056 8.464 1.00 0.00 H new ATOM 0 HA LYS A 80 3.917 -4.181 10.023 1.00 0.00 H new ATOM 0 HB2 LYS A 80 2.764 -1.795 8.491 1.00 0.00 H new ATOM 0 HB3 LYS A 80 1.845 -2.807 9.588 1.00 0.00 H new ATOM 0 HG2 LYS A 80 3.501 -2.238 11.429 1.00 0.00 H new ATOM 0 HG3 LYS A 80 4.308 -1.144 10.323 1.00 0.00 H new ATOM 0 HD2 LYS A 80 2.048 0.036 9.992 1.00 0.00 H new ATOM 0 HD3 LYS A 80 1.414 -0.955 11.291 1.00 0.00 H new ATOM 0 HE2 LYS A 80 3.713 1.052 11.463 1.00 0.00 H new ATOM 0 HE3 LYS A 80 2.162 1.153 12.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 3.566 0.303 13.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 2.828 -1.104 13.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 4.406 -0.702 12.816 1.00 0.00 H new ATOM 1302 N ILE A 81 3.369 -4.035 6.771 1.00 0.00 N ATOM 1303 CA ILE A 81 2.834 -4.843 5.637 1.00 0.00 C ATOM 1304 C ILE A 81 3.772 -6.012 5.342 1.00 0.00 C ATOM 1305 O ILE A 81 3.377 -7.000 4.754 1.00 0.00 O ATOM 1306 CB ILE A 81 2.707 -3.961 4.384 1.00 0.00 C ATOM 1307 CG1 ILE A 81 3.977 -3.118 4.217 1.00 0.00 C ATOM 1308 CG2 ILE A 81 1.494 -3.034 4.531 1.00 0.00 C ATOM 1309 CD1 ILE A 81 3.952 -2.391 2.868 1.00 0.00 C ATOM 0 H ILE A 81 3.813 -3.156 6.504 1.00 0.00 H new ATOM 0 HA ILE A 81 1.852 -5.229 5.910 1.00 0.00 H new ATOM 0 HB ILE A 81 2.576 -4.596 3.507 1.00 0.00 H new ATOM 0 HG12 ILE A 81 4.051 -2.394 5.028 1.00 0.00 H new ATOM 0 HG13 ILE A 81 4.858 -3.757 4.278 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.404 -2.409 3.643 1.00 0.00 H new ATOM 0 HG22 ILE A 81 0.590 -3.633 4.646 1.00 0.00 H new ATOM 0 HG23 ILE A 81 1.624 -2.401 5.409 1.00 0.00 H new ATOM 0 HD11 ILE A 81 4.858 -1.795 2.759 1.00 0.00 H new ATOM 0 HD12 ILE A 81 3.899 -3.122 2.061 1.00 0.00 H new ATOM 0 HD13 ILE A 81 3.081 -1.738 2.823 1.00 0.00 H new ATOM 1321 N GLY A 82 5.013 -5.910 5.727 1.00 0.00 N ATOM 1322 CA GLY A 82 5.970 -7.017 5.444 1.00 0.00 C ATOM 1323 C GLY A 82 6.487 -6.862 4.016 1.00 0.00 C ATOM 1324 O GLY A 82 5.937 -7.407 3.080 1.00 0.00 O ATOM 0 H GLY A 82 5.406 -5.111 6.224 1.00 0.00 H new ATOM 0 HA2 GLY A 82 6.799 -6.990 6.151 1.00 0.00 H new ATOM 0 HA3 GLY A 82 5.478 -7.982 5.565 1.00 0.00 H new ATOM 1328 N LYS A 83 7.538 -6.106 3.849 1.00 0.00 N ATOM 1329 CA LYS A 83 8.114 -5.882 2.488 1.00 0.00 C ATOM 1330 C LYS A 83 8.198 -7.204 1.719 1.00 0.00 C ATOM 1331 O LYS A 83 8.343 -7.224 0.513 1.00 0.00 O ATOM 1332 CB LYS A 83 9.519 -5.291 2.624 1.00 0.00 C ATOM 1333 CG LYS A 83 10.380 -6.211 3.493 1.00 0.00 C ATOM 1334 CD LYS A 83 11.742 -5.557 3.734 1.00 0.00 C ATOM 1335 CE LYS A 83 12.658 -6.539 4.466 1.00 0.00 C ATOM 1336 NZ LYS A 83 13.900 -5.835 4.892 1.00 0.00 N ATOM 0 H LYS A 83 8.029 -5.628 4.605 1.00 0.00 H new ATOM 0 HA LYS A 83 7.469 -5.194 1.942 1.00 0.00 H new ATOM 0 HB2 LYS A 83 9.972 -5.174 1.640 1.00 0.00 H new ATOM 0 HB3 LYS A 83 9.465 -4.298 3.070 1.00 0.00 H new ATOM 0 HG2 LYS A 83 9.882 -6.401 4.444 1.00 0.00 H new ATOM 0 HG3 LYS A 83 10.510 -7.176 3.003 1.00 0.00 H new ATOM 0 HD2 LYS A 83 12.190 -5.265 2.784 1.00 0.00 H new ATOM 0 HD3 LYS A 83 11.621 -4.648 4.323 1.00 0.00 H new ATOM 0 HE2 LYS A 83 12.146 -6.953 5.334 1.00 0.00 H new ATOM 0 HE3 LYS A 83 12.907 -7.376 3.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 14.524 -6.502 5.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 14.391 -5.460 4.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 13.653 -5.050 5.529 1.00 0.00 H new ATOM 1350 N SER A 84 8.113 -8.308 2.408 1.00 0.00 N ATOM 1351 CA SER A 84 8.195 -9.625 1.719 1.00 0.00 C ATOM 1352 C SER A 84 7.197 -9.664 0.561 1.00 0.00 C ATOM 1353 O SER A 84 7.526 -10.065 -0.537 1.00 0.00 O ATOM 1354 CB SER A 84 7.868 -10.740 2.714 1.00 0.00 C ATOM 1355 OG SER A 84 8.186 -11.997 2.131 1.00 0.00 O ATOM 0 H SER A 84 7.990 -8.354 3.420 1.00 0.00 H new ATOM 0 HA SER A 84 9.203 -9.768 1.330 1.00 0.00 H new ATOM 0 HB2 SER A 84 8.434 -10.599 3.635 1.00 0.00 H new ATOM 0 HB3 SER A 84 6.812 -10.707 2.981 1.00 0.00 H new ATOM 0 HG SER A 84 9.024 -11.922 1.628 1.00 0.00 H new ATOM 1361 N ARG A 85 5.975 -9.265 0.799 1.00 0.00 N ATOM 1362 CA ARG A 85 4.952 -9.299 -0.294 1.00 0.00 C ATOM 1363 C ARG A 85 5.056 -8.045 -1.169 1.00 0.00 C ATOM 1364 O ARG A 85 4.200 -7.797 -1.995 1.00 0.00 O ATOM 1365 CB ARG A 85 3.557 -9.361 0.324 1.00 0.00 C ATOM 1366 CG ARG A 85 3.508 -10.468 1.381 1.00 0.00 C ATOM 1367 CD ARG A 85 3.864 -11.828 0.755 1.00 0.00 C ATOM 1368 NE ARG A 85 5.346 -11.976 0.702 1.00 0.00 N ATOM 1369 CZ ARG A 85 5.877 -13.063 0.212 1.00 0.00 C ATOM 1370 NH1 ARG A 85 5.111 -14.022 -0.233 1.00 0.00 N ATOM 1371 NH2 ARG A 85 7.174 -13.193 0.168 1.00 0.00 N ATOM 0 H ARG A 85 5.640 -8.918 1.698 1.00 0.00 H new ATOM 0 HA ARG A 85 5.131 -10.178 -0.913 1.00 0.00 H new ATOM 0 HB2 ARG A 85 3.307 -8.402 0.777 1.00 0.00 H new ATOM 0 HB3 ARG A 85 2.814 -9.552 -0.450 1.00 0.00 H new ATOM 0 HG2 ARG A 85 4.204 -10.239 2.188 1.00 0.00 H new ATOM 0 HG3 ARG A 85 2.512 -10.514 1.822 1.00 0.00 H new ATOM 0 HD2 ARG A 85 3.428 -12.636 1.342 1.00 0.00 H new ATOM 0 HD3 ARG A 85 3.444 -11.900 -0.248 1.00 0.00 H new ATOM 0 HE ARG A 85 5.946 -11.227 1.049 1.00 0.00 H new ATOM 0 HH11 ARG A 85 4.096 -13.922 -0.198 1.00 0.00 H new ATOM 0 HH12 ARG A 85 5.527 -14.871 -0.616 1.00 0.00 H new ATOM 0 HH21 ARG A 85 7.774 -12.445 0.517 1.00 0.00 H new ATOM 0 HH22 ARG A 85 7.589 -14.043 -0.215 1.00 0.00 H new ATOM 1385 N ILE A 86 6.086 -7.248 -0.996 1.00 0.00 N ATOM 1386 CA ILE A 86 6.235 -6.003 -1.822 1.00 0.00 C ATOM 1387 C ILE A 86 7.682 -5.872 -2.304 1.00 0.00 C ATOM 1388 O ILE A 86 8.591 -6.442 -1.736 1.00 0.00 O ATOM 1389 CB ILE A 86 5.883 -4.767 -0.972 1.00 0.00 C ATOM 1390 CG1 ILE A 86 4.437 -4.891 -0.399 1.00 0.00 C ATOM 1391 CG2 ILE A 86 5.998 -3.506 -1.847 1.00 0.00 C ATOM 1392 CD1 ILE A 86 4.462 -5.516 1.007 1.00 0.00 C ATOM 0 H ILE A 86 6.831 -7.406 -0.318 1.00 0.00 H new ATOM 0 HA ILE A 86 5.563 -6.067 -2.678 1.00 0.00 H new ATOM 0 HB ILE A 86 6.577 -4.698 -0.134 1.00 0.00 H new ATOM 0 HG12 ILE A 86 3.971 -3.906 -0.357 1.00 0.00 H new ATOM 0 HG13 ILE A 86 3.828 -5.503 -1.064 1.00 0.00 H new ATOM 0 HG21 ILE A 86 5.750 -2.627 -1.252 1.00 0.00 H new ATOM 0 HG22 ILE A 86 7.017 -3.415 -2.222 1.00 0.00 H new ATOM 0 HG23 ILE A 86 5.308 -3.582 -2.687 1.00 0.00 H new ATOM 0 HD11 ILE A 86 3.444 -5.594 1.389 1.00 0.00 H new ATOM 0 HD12 ILE A 86 4.907 -6.510 0.956 1.00 0.00 H new ATOM 0 HD13 ILE A 86 5.053 -4.888 1.674 1.00 0.00 H new ATOM 1404 N ARG A 87 7.892 -5.106 -3.350 1.00 0.00 N ATOM 1405 CA ARG A 87 9.270 -4.895 -3.901 1.00 0.00 C ATOM 1406 C ARG A 87 9.560 -3.397 -3.907 1.00 0.00 C ATOM 1407 O ARG A 87 8.781 -2.612 -4.412 1.00 0.00 O ATOM 1408 CB ARG A 87 9.333 -5.431 -5.333 1.00 0.00 C ATOM 1409 CG ARG A 87 10.756 -5.281 -5.875 1.00 0.00 C ATOM 1410 CD ARG A 87 10.856 -5.954 -7.244 1.00 0.00 C ATOM 1411 NE ARG A 87 10.443 -7.381 -7.128 1.00 0.00 N ATOM 1412 CZ ARG A 87 10.346 -8.123 -8.199 1.00 0.00 C ATOM 1413 NH1 ARG A 87 10.614 -7.616 -9.371 1.00 0.00 N ATOM 1414 NH2 ARG A 87 9.983 -9.372 -8.096 1.00 0.00 N ATOM 0 H ARG A 87 7.155 -4.611 -3.852 1.00 0.00 H new ATOM 0 HA ARG A 87 10.005 -5.419 -3.290 1.00 0.00 H new ATOM 0 HB2 ARG A 87 9.034 -6.479 -5.353 1.00 0.00 H new ATOM 0 HB3 ARG A 87 8.632 -4.887 -5.967 1.00 0.00 H new ATOM 0 HG2 ARG A 87 11.015 -4.226 -5.957 1.00 0.00 H new ATOM 0 HG3 ARG A 87 11.469 -5.731 -5.184 1.00 0.00 H new ATOM 0 HD2 ARG A 87 10.219 -5.437 -7.962 1.00 0.00 H new ATOM 0 HD3 ARG A 87 11.877 -5.889 -7.619 1.00 0.00 H new ATOM 0 HE ARG A 87 10.236 -7.779 -6.212 1.00 0.00 H new ATOM 0 HH11 ARG A 87 10.899 -6.640 -9.451 1.00 0.00 H new ATOM 0 HH12 ARG A 87 10.538 -8.196 -10.207 1.00 0.00 H new ATOM 0 HH21 ARG A 87 9.775 -9.769 -7.180 1.00 0.00 H new ATOM 0 HH22 ARG A 87 9.907 -9.952 -8.932 1.00 0.00 H new ATOM 1428 N THR A 88 10.667 -2.983 -3.344 1.00 0.00 N ATOM 1429 CA THR A 88 11.000 -1.526 -3.311 1.00 0.00 C ATOM 1430 C THR A 88 11.886 -1.172 -4.501 1.00 0.00 C ATOM 1431 O THR A 88 12.769 -1.920 -4.875 1.00 0.00 O ATOM 1432 CB THR A 88 11.750 -1.212 -2.013 1.00 0.00 C ATOM 1433 OG1 THR A 88 13.092 -1.663 -2.126 1.00 0.00 O ATOM 1434 CG2 THR A 88 11.069 -1.921 -0.836 1.00 0.00 C ATOM 0 H THR A 88 11.356 -3.593 -2.905 1.00 0.00 H new ATOM 0 HA THR A 88 10.080 -0.943 -3.360 1.00 0.00 H new ATOM 0 HB THR A 88 11.738 -0.136 -1.839 1.00 0.00 H new ATOM 0 HG1 THR A 88 13.575 -1.462 -1.298 1.00 0.00 H new ATOM 0 HG21 THR A 88 11.606 -1.695 0.085 1.00 0.00 H new ATOM 0 HG22 THR A 88 10.039 -1.575 -0.750 1.00 0.00 H new ATOM 0 HG23 THR A 88 11.077 -2.998 -1.006 1.00 0.00 H new ATOM 1442 N VAL A 89 11.660 -0.024 -5.091 1.00 0.00 N ATOM 1443 CA VAL A 89 12.483 0.422 -6.260 1.00 0.00 C ATOM 1444 C VAL A 89 13.406 1.552 -5.803 1.00 0.00 C ATOM 1445 O VAL A 89 12.980 2.674 -5.612 1.00 0.00 O ATOM 1446 CB VAL A 89 11.551 0.939 -7.360 1.00 0.00 C ATOM 1447 CG1 VAL A 89 12.356 1.225 -8.630 1.00 0.00 C ATOM 1448 CG2 VAL A 89 10.487 -0.120 -7.662 1.00 0.00 C ATOM 0 H VAL A 89 10.931 0.632 -4.809 1.00 0.00 H new ATOM 0 HA VAL A 89 13.074 -0.409 -6.645 1.00 0.00 H new ATOM 0 HB VAL A 89 11.071 1.858 -7.023 1.00 0.00 H new ATOM 0 HG11 VAL A 89 11.688 1.592 -9.409 1.00 0.00 H new ATOM 0 HG12 VAL A 89 13.115 1.978 -8.418 1.00 0.00 H new ATOM 0 HG13 VAL A 89 12.839 0.308 -8.969 1.00 0.00 H new ATOM 0 HG21 VAL A 89 9.822 0.245 -8.445 1.00 0.00 H new ATOM 0 HG22 VAL A 89 10.971 -1.037 -7.996 1.00 0.00 H new ATOM 0 HG23 VAL A 89 9.909 -0.323 -6.760 1.00 0.00 H new ATOM 1509 N GLY A 93 9.973 4.989 -6.714 1.00 0.00 N ATOM 1510 CA GLY A 93 8.562 4.493 -6.681 1.00 0.00 C ATOM 1511 C GLY A 93 8.511 3.152 -5.953 1.00 0.00 C ATOM 1512 O GLY A 93 9.427 2.781 -5.246 1.00 0.00 O ATOM 0 HA2 GLY A 93 7.922 5.217 -6.177 1.00 0.00 H new ATOM 0 HA3 GLY A 93 8.180 4.383 -7.696 1.00 0.00 H new ATOM 1516 N TYR A 94 7.440 2.423 -6.116 1.00 0.00 N ATOM 1517 CA TYR A 94 7.310 1.100 -5.433 1.00 0.00 C ATOM 1518 C TYR A 94 6.425 0.196 -6.288 1.00 0.00 C ATOM 1519 O TYR A 94 5.821 0.634 -7.244 1.00 0.00 O ATOM 1520 CB TYR A 94 6.666 1.305 -4.052 1.00 0.00 C ATOM 1521 CG TYR A 94 7.713 1.770 -3.064 1.00 0.00 C ATOM 1522 CD1 TYR A 94 8.044 3.126 -2.976 1.00 0.00 C ATOM 1523 CD2 TYR A 94 8.352 0.839 -2.236 1.00 0.00 C ATOM 1524 CE1 TYR A 94 9.011 3.551 -2.061 1.00 0.00 C ATOM 1525 CE2 TYR A 94 9.318 1.263 -1.322 1.00 0.00 C ATOM 1526 CZ TYR A 94 9.648 2.620 -1.231 1.00 0.00 C ATOM 1527 OH TYR A 94 10.603 3.040 -0.327 1.00 0.00 O ATOM 0 H TYR A 94 6.644 2.687 -6.696 1.00 0.00 H new ATOM 0 HA TYR A 94 8.290 0.641 -5.305 1.00 0.00 H new ATOM 0 HB2 TYR A 94 5.864 2.040 -4.120 1.00 0.00 H new ATOM 0 HB3 TYR A 94 6.216 0.374 -3.708 1.00 0.00 H new ATOM 0 HD1 TYR A 94 7.552 3.845 -3.615 1.00 0.00 H new ATOM 0 HD2 TYR A 94 8.097 -0.208 -2.305 1.00 0.00 H new ATOM 0 HE1 TYR A 94 9.267 4.598 -1.994 1.00 0.00 H new ATOM 0 HE2 TYR A 94 9.811 0.544 -0.685 1.00 0.00 H new ATOM 0 HH TYR A 94 10.944 2.268 0.171 1.00 0.00 H new ATOM 1537 N MET A 95 6.341 -1.062 -5.956 1.00 0.00 N ATOM 1538 CA MET A 95 5.490 -1.980 -6.772 1.00 0.00 C ATOM 1539 C MET A 95 5.185 -3.258 -5.994 1.00 0.00 C ATOM 1540 O MET A 95 6.047 -3.842 -5.367 1.00 0.00 O ATOM 1541 CB MET A 95 6.232 -2.339 -8.063 1.00 0.00 C ATOM 1542 CG MET A 95 5.384 -3.304 -8.896 1.00 0.00 C ATOM 1543 SD MET A 95 6.093 -3.449 -10.555 1.00 0.00 S ATOM 1544 CE MET A 95 7.695 -4.131 -10.060 1.00 0.00 C ATOM 0 H MET A 95 6.818 -1.493 -5.164 1.00 0.00 H new ATOM 0 HA MET A 95 4.551 -1.478 -7.006 1.00 0.00 H new ATOM 0 HB2 MET A 95 6.441 -1.436 -8.636 1.00 0.00 H new ATOM 0 HB3 MET A 95 7.193 -2.796 -7.826 1.00 0.00 H new ATOM 0 HG2 MET A 95 5.350 -4.282 -8.416 1.00 0.00 H new ATOM 0 HG3 MET A 95 4.357 -2.943 -8.958 1.00 0.00 H new ATOM 0 HE1 MET A 95 8.061 -4.801 -10.838 1.00 0.00 H new ATOM 0 HE2 MET A 95 8.407 -3.319 -9.915 1.00 0.00 H new ATOM 0 HE3 MET A 95 7.582 -4.685 -9.128 1.00 0.00 H new ATOM 1554 N LEU A 96 3.958 -3.701 -6.047 1.00 0.00 N ATOM 1555 CA LEU A 96 3.568 -4.956 -5.331 1.00 0.00 C ATOM 1556 C LEU A 96 3.803 -6.148 -6.267 1.00 0.00 C ATOM 1557 O LEU A 96 3.521 -6.085 -7.448 1.00 0.00 O ATOM 1558 CB LEU A 96 2.077 -4.881 -4.946 1.00 0.00 C ATOM 1559 CG LEU A 96 1.906 -4.083 -3.647 1.00 0.00 C ATOM 1560 CD1 LEU A 96 2.531 -2.695 -3.805 1.00 0.00 C ATOM 1561 CD2 LEU A 96 0.415 -3.938 -3.335 1.00 0.00 C ATOM 0 H LEU A 96 3.202 -3.246 -6.558 1.00 0.00 H new ATOM 0 HA LEU A 96 4.165 -5.075 -4.426 1.00 0.00 H new ATOM 0 HB2 LEU A 96 1.510 -4.410 -5.749 1.00 0.00 H new ATOM 0 HB3 LEU A 96 1.675 -5.886 -4.820 1.00 0.00 H new ATOM 0 HG LEU A 96 2.403 -4.609 -2.832 1.00 0.00 H new ATOM 0 HD11 LEU A 96 2.407 -2.133 -2.880 1.00 0.00 H new ATOM 0 HD12 LEU A 96 3.593 -2.797 -4.028 1.00 0.00 H new ATOM 0 HD13 LEU A 96 2.039 -2.165 -4.621 1.00 0.00 H new ATOM 0 HD21 LEU A 96 0.290 -3.371 -2.412 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -0.079 -3.413 -4.153 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -0.030 -4.926 -3.217 1.00 0.00 H new ATOM 1573 N ALA A 97 4.317 -7.230 -5.751 1.00 0.00 N ATOM 1574 CA ALA A 97 4.569 -8.419 -6.614 1.00 0.00 C ATOM 1575 C ALA A 97 3.237 -9.087 -6.964 1.00 0.00 C ATOM 1576 O ALA A 97 2.397 -9.302 -6.113 1.00 0.00 O ATOM 1577 CB ALA A 97 5.458 -9.414 -5.867 1.00 0.00 C ATOM 0 H ALA A 97 4.573 -7.343 -4.770 1.00 0.00 H new ATOM 0 HA ALA A 97 5.069 -8.103 -7.530 1.00 0.00 H new ATOM 0 HB1 ALA A 97 5.642 -10.283 -6.499 1.00 0.00 H new ATOM 0 HB2 ALA A 97 6.407 -8.939 -5.619 1.00 0.00 H new ATOM 0 HB3 ALA A 97 4.960 -9.730 -4.951 1.00 0.00 H new ATOM 1583 N ASN A 98 3.038 -9.418 -8.212 1.00 0.00 N ATOM 1584 CA ASN A 98 1.761 -10.071 -8.617 1.00 0.00 C ATOM 1585 C ASN A 98 1.510 -11.296 -7.736 1.00 0.00 C ATOM 1586 O ASN A 98 0.747 -11.249 -6.792 1.00 0.00 O ATOM 1587 CB ASN A 98 1.854 -10.508 -10.081 1.00 0.00 C ATOM 1588 CG ASN A 98 2.042 -9.278 -10.970 1.00 0.00 C ATOM 1589 OD1 ASN A 98 3.038 -9.155 -11.654 1.00 0.00 O ATOM 1590 ND2 ASN A 98 1.120 -8.354 -10.987 1.00 0.00 N ATOM 0 H ASN A 98 3.705 -9.264 -8.968 1.00 0.00 H new ATOM 0 HA ASN A 98 0.940 -9.364 -8.498 1.00 0.00 H new ATOM 0 HB2 ASN A 98 2.688 -11.197 -10.214 1.00 0.00 H new ATOM 0 HB3 ASN A 98 0.950 -11.044 -10.370 1.00 0.00 H new ATOM 0 HD21 ASN A 98 1.236 -7.529 -11.575 1.00 0.00 H new ATOM 0 HD22 ASN A 98 0.284 -8.458 -10.412 1.00 0.00 H new