USER MOD reduce.3.24.130724 H: found=0, std=0, add=783, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 772 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 97 CYS SG : rot 28:sc= 0.674 USER MOD Set 1.2: A 98 SER OG : rot 180:sc= 0 USER MOD Set 1.3: A 100 CYS SG : rot -57:sc= -4.18! USER MOD Set 1.4: A 113 HIS :FLIP no HD1:sc= -3.72 F(o=-11!,f=-9.7) USER MOD Set 1.5: A 114 MET CE :methyl -111:sc= -0.803 (180deg=-0.661) USER MOD Set 1.6: A 118 HIS : no HD1:sc= -1.65! K(o=-9.7!,f=-11) USER MOD Set 2.1: A 107 LYS NZ :NH3+ -155:sc= -0.371 (180deg=0) USER MOD Set 2.2: A 111 GLN : amide:sc= -0.583 K(o=-0.95,f=-2.6) USER MOD Set 3.1: A 69 CYS SG : rot -140:sc= -2.35 USER MOD Set 3.2: A 72 CYS SG : rot 180:sc= -1.72! USER MOD Set 3.3: A 85 HIS : no HD1:sc= -2.32 K(o=-18,f=-19) USER MOD Set 3.4: A 86 MET CE :methyl 161:sc= -4.78 (180deg=-2.25!) USER MOD Set 3.5: A 89 HIS : no HD1:sc= -7.12! C(o=-18!,f=-21!) USER MOD Set 4.1: A 38 CYS SG : rot -130:sc= -0.292 USER MOD Set 4.2: A 41 CYS SG : rot -130:sc= -1.64 USER MOD Set 4.3: A 54 HIS : no HE2:sc= -1.03 X(o=-3,f=-2.5) USER MOD Set 5.1: A 10 CYS SG : rot 164:sc= 0.274 USER MOD Set 5.2: A 12 THR OG1 : rot 90:sc= 0.279 USER MOD Set 5.3: A 13 CYS SG : rot -41:sc= -2.7 USER MOD Set 5.4: A 26 HIS : no HE2:sc= -3.84! K(o=-6!,f=-7) USER MOD Single : A 14 HIS : no HD1:sc= -0.0279 X(o=-0.028,f=-0.12) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -3.29! C(o=-3.3!,f=-6.3!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 CYS SG : rot 180:sc= 0.0185 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= -0.142 (180deg=-0.142) USER MOD Single : A 50 ASN : amide:sc= -2.14 K(o=-2.1,f=-3.2!) USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot -28:sc= 0.977 USER MOD Single : A 73 GLN : amide:sc= -0.532 X(o=-0.53,f=-0.069) USER MOD Single : A 75 THR OG1 : rot 40:sc= 0.0692 USER MOD Single : A 80 MET CE :methyl -149:sc= -1.1 (180deg=-2.7!) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 TYR OH : rot 180:sc= -0.0118 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 103 GLN : amide:sc= -0.0498 X(o=-0.05,f=0) USER MOD Single : A 105 MET CE :methyl -108:sc= -2.05! (180deg=-2.94!) USER MOD Single : A 106 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 9.179 9.292 16.289 1.00 0.00 N ATOM 60 CA GLY A 7 8.558 8.056 16.729 1.00 0.00 C ATOM 61 C GLY A 7 8.201 7.143 15.572 1.00 0.00 C ATOM 62 O GLY A 7 8.260 7.548 14.411 1.00 0.00 O ATOM 0 HA2 GLY A 7 9.235 7.533 17.405 1.00 0.00 H new ATOM 0 HA3 GLY A 7 7.657 8.288 17.297 1.00 0.00 H new ATOM 66 N VAL A 8 7.829 5.907 15.889 1.00 0.00 N ATOM 67 CA VAL A 8 7.460 4.934 14.867 1.00 0.00 C ATOM 68 C VAL A 8 6.174 5.342 14.158 1.00 0.00 C ATOM 69 O VAL A 8 5.466 6.243 14.606 1.00 0.00 O ATOM 70 CB VAL A 8 7.277 3.529 15.471 1.00 0.00 C ATOM 71 CG1 VAL A 8 8.596 3.005 16.016 1.00 0.00 C ATOM 72 CG2 VAL A 8 6.213 3.551 16.558 1.00 0.00 C ATOM 0 H VAL A 8 7.775 5.556 16.845 1.00 0.00 H new ATOM 0 HA VAL A 8 8.276 4.908 14.145 1.00 0.00 H new ATOM 0 HB VAL A 8 6.944 2.855 14.682 1.00 0.00 H new ATOM 0 HG11 VAL A 8 8.446 2.011 16.438 1.00 0.00 H new ATOM 0 HG12 VAL A 8 9.327 2.950 15.209 1.00 0.00 H new ATOM 0 HG13 VAL A 8 8.962 3.678 16.792 1.00 0.00 H new ATOM 0 HG21 VAL A 8 6.097 2.550 16.974 1.00 0.00 H new ATOM 0 HG22 VAL A 8 6.514 4.239 17.348 1.00 0.00 H new ATOM 0 HG23 VAL A 8 5.265 3.879 16.132 1.00 0.00 H new ATOM 82 N GLU A 9 5.879 4.673 13.048 1.00 0.00 N ATOM 83 CA GLU A 9 4.678 4.967 12.276 1.00 0.00 C ATOM 84 C GLU A 9 3.975 3.681 11.852 1.00 0.00 C ATOM 85 O GLU A 9 4.616 2.721 11.424 1.00 0.00 O ATOM 86 CB GLU A 9 5.029 5.800 11.041 1.00 0.00 C ATOM 87 CG GLU A 9 3.828 6.145 10.177 1.00 0.00 C ATOM 88 CD GLU A 9 4.057 7.378 9.325 1.00 0.00 C ATOM 89 OE1 GLU A 9 4.788 7.275 8.318 1.00 0.00 O ATOM 90 OE2 GLU A 9 3.505 8.446 9.665 1.00 0.00 O ATOM 0 H GLU A 9 6.455 3.924 12.664 1.00 0.00 H new ATOM 0 HA GLU A 9 4.001 5.539 12.911 1.00 0.00 H new ATOM 0 HB2 GLU A 9 5.512 6.723 11.361 1.00 0.00 H new ATOM 0 HB3 GLU A 9 5.754 5.253 10.438 1.00 0.00 H new ATOM 0 HG2 GLU A 9 3.596 5.299 9.530 1.00 0.00 H new ATOM 0 HG3 GLU A 9 2.960 6.306 10.816 1.00 0.00 H new ATOM 97 N CYS A 10 2.651 3.669 11.975 1.00 0.00 N ATOM 98 CA CYS A 10 1.859 2.502 11.607 1.00 0.00 C ATOM 99 C CYS A 10 1.523 2.520 10.118 1.00 0.00 C ATOM 100 O CYS A 10 0.813 3.398 9.628 1.00 0.00 O ATOM 101 CB CYS A 10 0.571 2.453 12.431 1.00 0.00 C ATOM 102 SG CYS A 10 -0.541 1.080 11.991 1.00 0.00 S ATOM 0 H CYS A 10 2.105 4.455 12.327 1.00 0.00 H new ATOM 0 HA CYS A 10 2.451 1.611 11.817 1.00 0.00 H new ATOM 0 HB2 CYS A 10 0.831 2.372 13.487 1.00 0.00 H new ATOM 0 HB3 CYS A 10 0.036 3.394 12.305 1.00 0.00 H new ATOM 0 HG CYS A 10 -1.418 0.912 12.936 1.00 0.00 H new ATOM 107 N PRO A 11 2.046 1.528 9.382 1.00 0.00 N ATOM 108 CA PRO A 11 1.814 1.407 7.939 1.00 0.00 C ATOM 109 C PRO A 11 0.375 1.024 7.613 1.00 0.00 C ATOM 110 O PRO A 11 0.030 0.795 6.454 1.00 0.00 O ATOM 111 CB PRO A 11 2.773 0.291 7.519 1.00 0.00 C ATOM 112 CG PRO A 11 2.975 -0.520 8.752 1.00 0.00 C ATOM 113 CD PRO A 11 2.901 0.448 9.901 1.00 0.00 C ATOM 0 HA PRO A 11 1.981 2.350 7.419 1.00 0.00 H new ATOM 0 HB2 PRO A 11 2.351 -0.311 6.714 1.00 0.00 H new ATOM 0 HB3 PRO A 11 3.716 0.697 7.153 1.00 0.00 H new ATOM 0 HG2 PRO A 11 2.210 -1.291 8.842 1.00 0.00 H new ATOM 0 HG3 PRO A 11 3.939 -1.028 8.731 1.00 0.00 H new ATOM 0 HD2 PRO A 11 2.470 -0.014 10.789 1.00 0.00 H new ATOM 0 HD3 PRO A 11 3.888 0.816 10.181 1.00 0.00 H new ATOM 121 N THR A 12 -0.463 0.956 8.643 1.00 0.00 N ATOM 122 CA THR A 12 -1.865 0.599 8.466 1.00 0.00 C ATOM 123 C THR A 12 -2.752 1.839 8.471 1.00 0.00 C ATOM 124 O THR A 12 -3.522 2.067 7.538 1.00 0.00 O ATOM 125 CB THR A 12 -2.343 -0.365 9.568 1.00 0.00 C ATOM 126 OG1 THR A 12 -1.324 -1.330 9.851 1.00 0.00 O ATOM 127 CG2 THR A 12 -3.620 -1.076 9.148 1.00 0.00 C ATOM 0 H THR A 12 -0.195 1.144 9.609 1.00 0.00 H new ATOM 0 HA THR A 12 -1.945 0.102 7.499 1.00 0.00 H new ATOM 0 HB THR A 12 -2.549 0.218 10.466 1.00 0.00 H new ATOM 0 HG1 THR A 12 -0.738 -0.989 10.558 1.00 0.00 H new ATOM 0 HG21 THR A 12 -3.938 -1.751 9.942 1.00 0.00 H new ATOM 0 HG22 THR A 12 -4.402 -0.340 8.962 1.00 0.00 H new ATOM 0 HG23 THR A 12 -3.436 -1.647 8.238 1.00 0.00 H new ATOM 135 N CYS A 13 -2.638 2.638 9.527 1.00 0.00 N ATOM 136 CA CYS A 13 -3.430 3.855 9.654 1.00 0.00 C ATOM 137 C CYS A 13 -2.528 5.084 9.743 1.00 0.00 C ATOM 138 O CYS A 13 -2.981 6.176 10.088 1.00 0.00 O ATOM 139 CB CYS A 13 -4.328 3.778 10.890 1.00 0.00 C ATOM 140 SG CYS A 13 -3.421 3.577 12.457 1.00 0.00 S ATOM 0 H CYS A 13 -2.004 2.464 10.307 1.00 0.00 H new ATOM 0 HA CYS A 13 -4.054 3.947 8.765 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -4.931 4.685 10.945 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -5.019 2.943 10.773 1.00 0.00 H new ATOM 0 HG CYS A 13 -2.449 2.729 12.290 1.00 0.00 H new ATOM 145 N HIS A 14 -1.251 4.897 9.428 1.00 0.00 N ATOM 146 CA HIS A 14 -0.285 5.989 9.471 1.00 0.00 C ATOM 147 C HIS A 14 -0.280 6.656 10.843 1.00 0.00 C ATOM 148 O HIS A 14 0.026 7.843 10.968 1.00 0.00 O ATOM 149 CB HIS A 14 -0.603 7.022 8.390 1.00 0.00 C ATOM 150 CG HIS A 14 -0.253 6.568 7.006 1.00 0.00 C ATOM 151 ND1 HIS A 14 0.970 6.022 6.680 1.00 0.00 N ATOM 152 CD2 HIS A 14 -0.976 6.579 5.862 1.00 0.00 C ATOM 153 CE1 HIS A 14 0.986 5.719 5.394 1.00 0.00 C ATOM 154 NE2 HIS A 14 -0.183 6.046 4.875 1.00 0.00 N ATOM 0 H HIS A 14 -0.861 4.000 9.140 1.00 0.00 H new ATOM 0 HA HIS A 14 0.705 5.573 9.285 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -1.666 7.260 8.428 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -0.063 7.943 8.609 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -1.987 6.939 5.747 1.00 0.00 H new ATOM 0 HE1 HIS A 14 1.814 5.279 4.859 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -0.454 5.923 3.899 1.00 0.00 H new ATOM 162 N LYS A 15 -0.623 5.887 11.871 1.00 0.00 N ATOM 163 CA LYS A 15 -0.658 6.402 13.235 1.00 0.00 C ATOM 164 C LYS A 15 0.692 6.220 13.920 1.00 0.00 C ATOM 165 O LYS A 15 1.100 5.098 14.224 1.00 0.00 O ATOM 166 CB LYS A 15 -1.751 5.696 14.041 1.00 0.00 C ATOM 167 CG LYS A 15 -1.891 6.216 15.461 1.00 0.00 C ATOM 168 CD LYS A 15 -3.278 5.945 16.020 1.00 0.00 C ATOM 169 CE LYS A 15 -4.285 6.975 15.533 1.00 0.00 C ATOM 170 NZ LYS A 15 -4.312 8.180 16.407 1.00 0.00 N ATOM 0 H LYS A 15 -0.881 4.904 11.785 1.00 0.00 H new ATOM 0 HA LYS A 15 -0.881 7.468 13.189 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -2.704 5.812 13.525 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -1.534 4.628 14.074 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -1.143 5.744 16.098 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -1.694 7.288 15.478 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -3.603 4.948 15.723 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -3.241 5.957 17.109 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -4.038 7.271 14.514 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -5.278 6.526 15.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -5.011 8.858 16.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -4.573 7.901 17.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -3.371 8.623 16.416 1.00 0.00 H new ATOM 184 N LYS A 16 1.382 7.329 14.164 1.00 0.00 N ATOM 185 CA LYS A 16 2.685 7.293 14.816 1.00 0.00 C ATOM 186 C LYS A 16 2.534 7.281 16.334 1.00 0.00 C ATOM 187 O LYS A 16 1.499 7.681 16.867 1.00 0.00 O ATOM 188 CB LYS A 16 3.528 8.496 14.387 1.00 0.00 C ATOM 189 CG LYS A 16 3.853 8.512 12.903 1.00 0.00 C ATOM 190 CD LYS A 16 5.048 9.402 12.604 1.00 0.00 C ATOM 191 CE LYS A 16 4.615 10.823 12.273 1.00 0.00 C ATOM 192 NZ LYS A 16 5.769 11.764 12.253 1.00 0.00 N ATOM 0 H LYS A 16 1.059 8.265 13.919 1.00 0.00 H new ATOM 0 HA LYS A 16 3.190 6.376 14.511 1.00 0.00 H new ATOM 0 HB2 LYS A 16 2.996 9.412 14.644 1.00 0.00 H new ATOM 0 HB3 LYS A 16 4.459 8.498 14.954 1.00 0.00 H new ATOM 0 HG2 LYS A 16 4.060 7.497 12.564 1.00 0.00 H new ATOM 0 HG3 LYS A 16 2.986 8.864 12.343 1.00 0.00 H new ATOM 0 HD2 LYS A 16 5.717 9.415 13.464 1.00 0.00 H new ATOM 0 HD3 LYS A 16 5.611 8.988 11.768 1.00 0.00 H new ATOM 0 HE2 LYS A 16 4.120 10.835 11.302 1.00 0.00 H new ATOM 0 HE3 LYS A 16 3.884 11.160 13.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 5.433 12.721 12.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 6.227 11.772 13.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 6.455 11.457 11.534 1.00 0.00 H new ATOM 206 N PHE A 17 3.572 6.821 17.024 1.00 0.00 N ATOM 207 CA PHE A 17 3.554 6.758 18.481 1.00 0.00 C ATOM 208 C PHE A 17 4.892 7.209 19.061 1.00 0.00 C ATOM 209 O PHE A 17 5.811 7.570 18.325 1.00 0.00 O ATOM 210 CB PHE A 17 3.236 5.336 18.947 1.00 0.00 C ATOM 211 CG PHE A 17 1.876 4.857 18.526 1.00 0.00 C ATOM 212 CD1 PHE A 17 1.645 4.444 17.224 1.00 0.00 C ATOM 213 CD2 PHE A 17 0.829 4.821 19.432 1.00 0.00 C ATOM 214 CE1 PHE A 17 0.395 4.003 16.833 1.00 0.00 C ATOM 215 CE2 PHE A 17 -0.423 4.380 19.048 1.00 0.00 C ATOM 216 CZ PHE A 17 -0.641 3.972 17.746 1.00 0.00 C ATOM 0 H PHE A 17 4.436 6.486 16.598 1.00 0.00 H new ATOM 0 HA PHE A 17 2.777 7.432 18.840 1.00 0.00 H new ATOM 0 HB2 PHE A 17 3.990 4.656 18.552 1.00 0.00 H new ATOM 0 HB3 PHE A 17 3.307 5.294 20.034 1.00 0.00 H new ATOM 0 HD1 PHE A 17 2.451 4.467 16.506 1.00 0.00 H new ATOM 0 HD2 PHE A 17 0.993 5.141 20.450 1.00 0.00 H new ATOM 0 HE1 PHE A 17 0.228 3.683 15.815 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -1.230 4.354 19.765 1.00 0.00 H new ATOM 0 HZ PHE A 17 -1.619 3.630 17.443 1.00 0.00 H new ATOM 226 N LEU A 18 4.993 7.184 20.386 1.00 0.00 N ATOM 227 CA LEU A 18 6.217 7.590 21.067 1.00 0.00 C ATOM 228 C LEU A 18 7.306 6.534 20.906 1.00 0.00 C ATOM 229 O LEU A 18 8.423 6.838 20.488 1.00 0.00 O ATOM 230 CB LEU A 18 5.942 7.833 22.552 1.00 0.00 C ATOM 231 CG LEU A 18 4.994 8.988 22.879 1.00 0.00 C ATOM 232 CD1 LEU A 18 3.548 8.568 22.667 1.00 0.00 C ATOM 233 CD2 LEU A 18 5.209 9.466 24.307 1.00 0.00 C ATOM 0 H LEU A 18 4.242 6.887 21.009 1.00 0.00 H new ATOM 0 HA LEU A 18 6.566 8.517 20.612 1.00 0.00 H new ATOM 0 HB2 LEU A 18 5.530 6.919 22.979 1.00 0.00 H new ATOM 0 HB3 LEU A 18 6.893 8.017 23.052 1.00 0.00 H new ATOM 0 HG LEU A 18 5.213 9.815 22.204 1.00 0.00 H new ATOM 0 HD11 LEU A 18 2.888 9.402 22.905 1.00 0.00 H new ATOM 0 HD12 LEU A 18 3.403 8.275 21.627 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.315 7.725 23.317 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.526 10.288 24.522 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.018 8.645 24.998 1.00 0.00 H new ATOM 0 HD23 LEU A 18 6.237 9.808 24.425 1.00 0.00 H new ATOM 245 N SER A 19 6.971 5.291 21.239 1.00 0.00 N ATOM 246 CA SER A 19 7.920 4.190 21.133 1.00 0.00 C ATOM 247 C SER A 19 7.264 2.966 20.501 1.00 0.00 C ATOM 248 O SER A 19 6.058 2.951 20.254 1.00 0.00 O ATOM 249 CB SER A 19 8.473 3.830 22.513 1.00 0.00 C ATOM 250 OG SER A 19 9.821 3.401 22.427 1.00 0.00 O ATOM 0 H SER A 19 6.050 5.022 21.584 1.00 0.00 H new ATOM 0 HA SER A 19 8.741 4.512 20.493 1.00 0.00 H new ATOM 0 HB2 SER A 19 8.405 4.695 23.172 1.00 0.00 H new ATOM 0 HB3 SER A 19 7.865 3.042 22.957 1.00 0.00 H new ATOM 0 HG SER A 19 10.151 3.179 23.322 1.00 0.00 H new ATOM 256 N LYS A 20 8.067 1.940 20.240 1.00 0.00 N ATOM 257 CA LYS A 20 7.567 0.710 19.637 1.00 0.00 C ATOM 258 C LYS A 20 6.490 0.075 20.511 1.00 0.00 C ATOM 259 O LYS A 20 5.427 -0.307 20.022 1.00 0.00 O ATOM 260 CB LYS A 20 8.714 -0.280 19.423 1.00 0.00 C ATOM 261 CG LYS A 20 9.438 -0.096 18.101 1.00 0.00 C ATOM 262 CD LYS A 20 10.443 1.041 18.169 1.00 0.00 C ATOM 263 CE LYS A 20 11.296 1.107 16.911 1.00 0.00 C ATOM 264 NZ LYS A 20 12.349 2.156 17.009 1.00 0.00 N ATOM 0 H LYS A 20 9.068 1.936 20.437 1.00 0.00 H new ATOM 0 HA LYS A 20 7.127 0.961 18.672 1.00 0.00 H new ATOM 0 HB2 LYS A 20 9.430 -0.175 20.238 1.00 0.00 H new ATOM 0 HB3 LYS A 20 8.321 -1.295 19.474 1.00 0.00 H new ATOM 0 HG2 LYS A 20 9.951 -1.020 17.834 1.00 0.00 H new ATOM 0 HG3 LYS A 20 8.713 0.105 17.313 1.00 0.00 H new ATOM 0 HD2 LYS A 20 9.916 1.986 18.303 1.00 0.00 H new ATOM 0 HD3 LYS A 20 11.086 0.908 19.039 1.00 0.00 H new ATOM 0 HE2 LYS A 20 11.764 0.138 16.738 1.00 0.00 H new ATOM 0 HE3 LYS A 20 10.659 1.311 16.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 12.909 2.169 16.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 11.902 3.085 17.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 12.973 1.948 17.815 1.00 0.00 H new ATOM 278 N TYR A 21 6.772 -0.032 21.805 1.00 0.00 N ATOM 279 CA TYR A 21 5.827 -0.622 22.746 1.00 0.00 C ATOM 280 C TYR A 21 4.395 -0.223 22.402 1.00 0.00 C ATOM 281 O TYR A 21 3.522 -1.077 22.243 1.00 0.00 O ATOM 282 CB TYR A 21 6.160 -0.187 24.174 1.00 0.00 C ATOM 283 CG TYR A 21 5.050 -0.461 25.165 1.00 0.00 C ATOM 284 CD1 TYR A 21 4.620 -1.759 25.415 1.00 0.00 C ATOM 285 CD2 TYR A 21 4.433 0.577 25.851 1.00 0.00 C ATOM 286 CE1 TYR A 21 3.607 -2.013 26.318 1.00 0.00 C ATOM 287 CE2 TYR A 21 3.420 0.331 26.758 1.00 0.00 C ATOM 288 CZ TYR A 21 3.010 -0.965 26.987 1.00 0.00 C ATOM 289 OH TYR A 21 2.001 -1.215 27.889 1.00 0.00 O ATOM 0 H TYR A 21 7.647 0.282 22.226 1.00 0.00 H new ATOM 0 HA TYR A 21 5.910 -1.706 22.674 1.00 0.00 H new ATOM 0 HB2 TYR A 21 7.063 -0.703 24.501 1.00 0.00 H new ATOM 0 HB3 TYR A 21 6.383 0.880 24.177 1.00 0.00 H new ATOM 0 HD1 TYR A 21 5.086 -2.582 24.894 1.00 0.00 H new ATOM 0 HD2 TYR A 21 4.750 1.594 25.673 1.00 0.00 H new ATOM 0 HE1 TYR A 21 3.284 -3.027 26.500 1.00 0.00 H new ATOM 0 HE2 TYR A 21 2.952 1.150 27.285 1.00 0.00 H new ATOM 0 HH TYR A 21 1.689 -0.369 28.274 1.00 0.00 H new ATOM 299 N TYR A 22 4.162 1.080 22.288 1.00 0.00 N ATOM 300 CA TYR A 22 2.836 1.593 21.964 1.00 0.00 C ATOM 301 C TYR A 22 2.354 1.050 20.622 1.00 0.00 C ATOM 302 O TYR A 22 1.244 0.526 20.513 1.00 0.00 O ATOM 303 CB TYR A 22 2.852 3.122 21.932 1.00 0.00 C ATOM 304 CG TYR A 22 2.695 3.759 23.294 1.00 0.00 C ATOM 305 CD1 TYR A 22 1.516 3.618 24.016 1.00 0.00 C ATOM 306 CD2 TYR A 22 3.724 4.501 23.859 1.00 0.00 C ATOM 307 CE1 TYR A 22 1.367 4.198 25.261 1.00 0.00 C ATOM 308 CE2 TYR A 22 3.585 5.083 25.104 1.00 0.00 C ATOM 309 CZ TYR A 22 2.404 4.929 25.801 1.00 0.00 C ATOM 310 OH TYR A 22 2.261 5.509 27.041 1.00 0.00 O ATOM 0 H TYR A 22 4.874 1.800 22.415 1.00 0.00 H new ATOM 0 HA TYR A 22 2.146 1.259 22.739 1.00 0.00 H new ATOM 0 HB2 TYR A 22 3.790 3.458 21.489 1.00 0.00 H new ATOM 0 HB3 TYR A 22 2.050 3.472 21.282 1.00 0.00 H new ATOM 0 HD1 TYR A 22 0.702 3.045 23.597 1.00 0.00 H new ATOM 0 HD2 TYR A 22 4.649 4.625 23.316 1.00 0.00 H new ATOM 0 HE1 TYR A 22 0.443 4.080 25.808 1.00 0.00 H new ATOM 0 HE2 TYR A 22 4.396 5.655 25.530 1.00 0.00 H new ATOM 0 HH TYR A 22 3.084 5.987 27.275 1.00 0.00 H new ATOM 320 N LEU A 23 3.196 1.178 19.603 1.00 0.00 N ATOM 321 CA LEU A 23 2.858 0.700 18.267 1.00 0.00 C ATOM 322 C LEU A 23 2.437 -0.766 18.303 1.00 0.00 C ATOM 323 O LEU A 23 1.485 -1.167 17.634 1.00 0.00 O ATOM 324 CB LEU A 23 4.049 0.878 17.324 1.00 0.00 C ATOM 325 CG LEU A 23 3.948 0.167 15.974 1.00 0.00 C ATOM 326 CD1 LEU A 23 2.830 0.767 15.136 1.00 0.00 C ATOM 327 CD2 LEU A 23 5.274 0.243 15.230 1.00 0.00 C ATOM 0 H LEU A 23 4.118 1.609 19.676 1.00 0.00 H new ATOM 0 HA LEU A 23 2.019 1.290 17.898 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.186 1.944 17.141 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.946 0.524 17.833 1.00 0.00 H new ATOM 0 HG LEU A 23 3.715 -0.882 16.155 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.774 0.248 14.179 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.882 0.660 15.663 1.00 0.00 H new ATOM 0 HD13 LEU A 23 3.032 1.824 14.964 1.00 0.00 H new ATOM 0 HD21 LEU A 23 5.183 -0.268 14.272 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.537 1.287 15.061 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.053 -0.236 15.824 1.00 0.00 H new ATOM 339 N LYS A 24 3.153 -1.562 19.091 1.00 0.00 N ATOM 340 CA LYS A 24 2.853 -2.983 19.218 1.00 0.00 C ATOM 341 C LYS A 24 1.463 -3.195 19.810 1.00 0.00 C ATOM 342 O LYS A 24 0.651 -3.939 19.261 1.00 0.00 O ATOM 343 CB LYS A 24 3.902 -3.670 20.095 1.00 0.00 C ATOM 344 CG LYS A 24 5.320 -3.529 19.570 1.00 0.00 C ATOM 345 CD LYS A 24 6.345 -3.702 20.678 1.00 0.00 C ATOM 346 CE LYS A 24 6.792 -5.150 20.803 1.00 0.00 C ATOM 347 NZ LYS A 24 8.165 -5.261 21.369 1.00 0.00 N ATOM 0 H LYS A 24 3.945 -1.247 19.651 1.00 0.00 H new ATOM 0 HA LYS A 24 2.876 -3.424 18.221 1.00 0.00 H new ATOM 0 HB2 LYS A 24 3.853 -3.252 21.101 1.00 0.00 H new ATOM 0 HB3 LYS A 24 3.658 -4.729 20.177 1.00 0.00 H new ATOM 0 HG2 LYS A 24 5.496 -4.271 18.791 1.00 0.00 H new ATOM 0 HG3 LYS A 24 5.443 -2.549 19.110 1.00 0.00 H new ATOM 0 HD2 LYS A 24 7.210 -3.069 20.477 1.00 0.00 H new ATOM 0 HD3 LYS A 24 5.919 -3.369 21.624 1.00 0.00 H new ATOM 0 HE2 LYS A 24 6.092 -5.692 21.439 1.00 0.00 H new ATOM 0 HE3 LYS A 24 6.764 -5.624 19.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 8.432 -6.264 21.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 8.837 -4.765 20.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 8.186 -4.831 22.316 1.00 0.00 H new ATOM 361 N VAL A 25 1.195 -2.534 20.932 1.00 0.00 N ATOM 362 CA VAL A 25 -0.098 -2.648 21.596 1.00 0.00 C ATOM 363 C VAL A 25 -1.222 -2.136 20.703 1.00 0.00 C ATOM 364 O VAL A 25 -2.334 -2.664 20.722 1.00 0.00 O ATOM 365 CB VAL A 25 -0.117 -1.869 22.925 1.00 0.00 C ATOM 366 CG1 VAL A 25 -1.497 -1.932 23.561 1.00 0.00 C ATOM 367 CG2 VAL A 25 0.943 -2.408 23.874 1.00 0.00 C ATOM 0 H VAL A 25 1.856 -1.914 21.400 1.00 0.00 H new ATOM 0 HA VAL A 25 -0.256 -3.707 21.802 1.00 0.00 H new ATOM 0 HB VAL A 25 0.113 -0.824 22.717 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -1.491 -1.376 24.499 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.230 -1.494 22.884 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -1.760 -2.971 23.757 1.00 0.00 H new ATOM 0 HG21 VAL A 25 0.915 -1.846 24.808 1.00 0.00 H new ATOM 0 HG22 VAL A 25 0.747 -3.461 24.078 1.00 0.00 H new ATOM 0 HG23 VAL A 25 1.927 -2.304 23.417 1.00 0.00 H new ATOM 377 N HIS A 26 -0.924 -1.103 19.920 1.00 0.00 N ATOM 378 CA HIS A 26 -1.910 -0.519 19.017 1.00 0.00 C ATOM 379 C HIS A 26 -2.161 -1.434 17.822 1.00 0.00 C ATOM 380 O HIS A 26 -3.269 -1.934 17.633 1.00 0.00 O ATOM 381 CB HIS A 26 -1.441 0.853 18.535 1.00 0.00 C ATOM 382 CG HIS A 26 -1.931 1.206 17.164 1.00 0.00 C ATOM 383 ND1 HIS A 26 -3.088 1.922 16.940 1.00 0.00 N ATOM 384 CD2 HIS A 26 -1.413 0.939 15.943 1.00 0.00 C ATOM 385 CE1 HIS A 26 -3.262 2.079 15.640 1.00 0.00 C ATOM 386 NE2 HIS A 26 -2.259 1.492 15.012 1.00 0.00 N ATOM 0 H HIS A 26 -0.009 -0.654 19.893 1.00 0.00 H new ATOM 0 HA HIS A 26 -2.845 -0.402 19.565 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -1.780 1.612 19.240 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -0.351 0.878 18.540 1.00 0.00 H new ATOM 0 HD1 HIS A 26 -3.712 2.275 17.665 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -0.504 0.393 15.738 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -4.084 2.599 15.171 1.00 0.00 H new ATOM 394 N ASN A 27 -1.124 -1.646 17.018 1.00 0.00 N ATOM 395 CA ASN A 27 -1.233 -2.499 15.840 1.00 0.00 C ATOM 396 C ASN A 27 -2.118 -3.709 16.124 1.00 0.00 C ATOM 397 O ASN A 27 -3.042 -4.006 15.367 1.00 0.00 O ATOM 398 CB ASN A 27 0.154 -2.962 15.390 1.00 0.00 C ATOM 399 CG ASN A 27 0.523 -4.319 15.957 1.00 0.00 C ATOM 400 OD1 ASN A 27 1.321 -4.419 16.889 1.00 0.00 O ATOM 401 ND2 ASN A 27 -0.058 -5.373 15.394 1.00 0.00 N ATOM 0 H ASN A 27 -0.200 -1.239 17.161 1.00 0.00 H new ATOM 0 HA ASN A 27 -1.691 -1.916 15.041 1.00 0.00 H new ATOM 0 HB2 ASN A 27 0.184 -3.006 14.301 1.00 0.00 H new ATOM 0 HB3 ASN A 27 0.897 -2.228 15.700 1.00 0.00 H new ATOM 0 HD21 ASN A 27 0.152 -6.312 15.732 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -0.714 -5.243 14.623 1.00 0.00 H new ATOM 543 N PHE A 36 -13.602 -15.211 9.109 1.00 0.00 N ATOM 544 CA PHE A 36 -13.445 -16.227 8.075 1.00 0.00 C ATOM 545 C PHE A 36 -12.676 -15.673 6.879 1.00 0.00 C ATOM 546 O PHE A 36 -12.694 -14.470 6.621 1.00 0.00 O ATOM 547 CB PHE A 36 -14.813 -16.741 7.623 1.00 0.00 C ATOM 548 CG PHE A 36 -15.604 -17.389 8.723 1.00 0.00 C ATOM 549 CD1 PHE A 36 -16.354 -16.621 9.599 1.00 0.00 C ATOM 550 CD2 PHE A 36 -15.598 -18.765 8.881 1.00 0.00 C ATOM 551 CE1 PHE A 36 -17.083 -17.214 10.613 1.00 0.00 C ATOM 552 CE2 PHE A 36 -16.325 -19.364 9.892 1.00 0.00 C ATOM 553 CZ PHE A 36 -17.068 -18.587 10.760 1.00 0.00 C ATOM 0 HA PHE A 36 -12.876 -17.055 8.498 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -15.388 -15.910 7.215 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -14.673 -17.459 6.815 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -16.369 -15.547 9.488 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -15.018 -19.377 8.206 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -17.664 -16.604 11.289 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -16.312 -20.438 10.004 1.00 0.00 H new ATOM 0 HZ PHE A 36 -17.636 -19.053 11.552 1.00 0.00 H new ATOM 563 N GLU A 37 -12.001 -16.560 6.155 1.00 0.00 N ATOM 564 CA GLU A 37 -11.224 -16.159 4.987 1.00 0.00 C ATOM 565 C GLU A 37 -10.997 -17.343 4.052 1.00 0.00 C ATOM 566 O GLU A 37 -10.547 -18.407 4.478 1.00 0.00 O ATOM 567 CB GLU A 37 -9.880 -15.570 5.419 1.00 0.00 C ATOM 568 CG GLU A 37 -9.111 -14.912 4.285 1.00 0.00 C ATOM 569 CD GLU A 37 -7.928 -14.101 4.776 1.00 0.00 C ATOM 570 OE1 GLU A 37 -8.011 -13.548 5.893 1.00 0.00 O ATOM 571 OE2 GLU A 37 -6.920 -14.019 4.044 1.00 0.00 O ATOM 0 H GLU A 37 -11.976 -17.560 6.356 1.00 0.00 H new ATOM 0 HA GLU A 37 -11.790 -15.398 4.450 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -10.051 -14.835 6.205 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -9.268 -16.362 5.851 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -8.759 -15.680 3.596 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -9.783 -14.263 3.723 1.00 0.00 H new ATOM 578 N CYS A 38 -11.311 -17.151 2.776 1.00 0.00 N ATOM 579 CA CYS A 38 -11.143 -18.201 1.779 1.00 0.00 C ATOM 580 C CYS A 38 -9.763 -18.843 1.894 1.00 0.00 C ATOM 581 O CYS A 38 -8.739 -18.229 1.595 1.00 0.00 O ATOM 582 CB CYS A 38 -11.339 -17.635 0.372 1.00 0.00 C ATOM 583 SG CYS A 38 -11.834 -18.875 -0.867 1.00 0.00 S ATOM 0 H CYS A 38 -11.684 -16.276 2.407 1.00 0.00 H new ATOM 0 HA CYS A 38 -11.897 -18.966 1.963 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -12.097 -16.852 0.409 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -10.410 -17.165 0.049 1.00 0.00 H new ATOM 0 HG CYS A 38 -11.065 -18.777 -1.910 1.00 0.00 H new ATOM 588 N PRO A 39 -9.735 -20.109 2.337 1.00 0.00 N ATOM 589 CA PRO A 39 -8.488 -20.862 2.500 1.00 0.00 C ATOM 590 C PRO A 39 -7.842 -21.212 1.164 1.00 0.00 C ATOM 591 O PRO A 39 -6.792 -21.854 1.118 1.00 0.00 O ATOM 592 CB PRO A 39 -8.934 -22.133 3.228 1.00 0.00 C ATOM 593 CG PRO A 39 -10.369 -22.294 2.862 1.00 0.00 C ATOM 594 CD PRO A 39 -10.917 -20.902 2.712 1.00 0.00 C ATOM 0 HA PRO A 39 -7.733 -20.288 3.038 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -8.346 -22.996 2.915 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -8.809 -22.036 4.306 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -10.474 -22.857 1.935 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -10.909 -22.845 3.632 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -11.692 -20.855 1.947 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -11.364 -20.544 3.640 1.00 0.00 H new ATOM 602 N LYS A 40 -8.477 -20.787 0.076 1.00 0.00 N ATOM 603 CA LYS A 40 -7.964 -21.053 -1.262 1.00 0.00 C ATOM 604 C LYS A 40 -7.192 -19.852 -1.798 1.00 0.00 C ATOM 605 O LYS A 40 -6.131 -20.003 -2.404 1.00 0.00 O ATOM 606 CB LYS A 40 -9.114 -21.398 -2.212 1.00 0.00 C ATOM 607 CG LYS A 40 -9.863 -22.662 -1.826 1.00 0.00 C ATOM 608 CD LYS A 40 -9.046 -23.908 -2.127 1.00 0.00 C ATOM 609 CE LYS A 40 -9.403 -25.049 -1.187 1.00 0.00 C ATOM 610 NZ LYS A 40 -8.703 -26.310 -1.555 1.00 0.00 N ATOM 0 H LYS A 40 -9.348 -20.257 0.096 1.00 0.00 H new ATOM 0 HA LYS A 40 -7.283 -21.902 -1.201 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -9.815 -20.564 -2.238 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -8.718 -21.514 -3.221 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -10.105 -22.632 -0.764 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -10.808 -22.706 -2.367 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -9.218 -24.217 -3.158 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -7.984 -23.679 -2.036 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -9.141 -24.773 -0.165 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -10.480 -25.213 -1.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -8.973 -27.063 -0.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -8.972 -26.587 -2.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -7.675 -26.162 -1.511 1.00 0.00 H new ATOM 624 N CYS A 41 -7.730 -18.658 -1.570 1.00 0.00 N ATOM 625 CA CYS A 41 -7.091 -17.431 -2.028 1.00 0.00 C ATOM 626 C CYS A 41 -6.715 -16.540 -0.848 1.00 0.00 C ATOM 627 O CYS A 41 -5.599 -16.027 -0.774 1.00 0.00 O ATOM 628 CB CYS A 41 -8.020 -16.672 -2.979 1.00 0.00 C ATOM 629 SG CYS A 41 -9.666 -16.317 -2.283 1.00 0.00 S ATOM 0 H CYS A 41 -8.608 -18.515 -1.070 1.00 0.00 H new ATOM 0 HA CYS A 41 -6.179 -17.702 -2.560 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -7.546 -15.732 -3.260 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -8.141 -17.254 -3.893 1.00 0.00 H new ATOM 0 HG CYS A 41 -10.583 -16.681 -3.130 1.00 0.00 H new ATOM 634 N GLY A 42 -7.656 -16.360 0.075 1.00 0.00 N ATOM 635 CA GLY A 42 -7.404 -15.532 1.239 1.00 0.00 C ATOM 636 C GLY A 42 -8.337 -14.339 1.314 1.00 0.00 C ATOM 637 O GLY A 42 -7.939 -13.255 1.742 1.00 0.00 O ATOM 0 H GLY A 42 -8.588 -16.773 0.037 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.516 -16.134 2.141 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -6.372 -15.182 1.216 1.00 0.00 H new ATOM 641 N LYS A 43 -9.583 -14.537 0.896 1.00 0.00 N ATOM 642 CA LYS A 43 -10.576 -13.470 0.917 1.00 0.00 C ATOM 643 C LYS A 43 -11.391 -13.510 2.206 1.00 0.00 C ATOM 644 O LYS A 43 -12.130 -14.463 2.455 1.00 0.00 O ATOM 645 CB LYS A 43 -11.507 -13.588 -0.291 1.00 0.00 C ATOM 646 CG LYS A 43 -12.482 -12.431 -0.424 1.00 0.00 C ATOM 647 CD LYS A 43 -11.789 -11.173 -0.920 1.00 0.00 C ATOM 648 CE LYS A 43 -12.759 -10.251 -1.643 1.00 0.00 C ATOM 649 NZ LYS A 43 -12.907 -10.617 -3.078 1.00 0.00 N ATOM 0 H LYS A 43 -9.929 -15.427 0.538 1.00 0.00 H new ATOM 0 HA LYS A 43 -10.049 -12.517 0.870 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -10.905 -13.651 -1.198 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -12.069 -14.519 -0.216 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -13.280 -12.704 -1.114 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -12.949 -12.234 0.541 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -11.343 -10.645 -0.077 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -10.975 -11.445 -1.592 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -13.733 -10.294 -1.155 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -12.408 -9.222 -1.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -13.576 -9.965 -3.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -11.983 -10.552 -3.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -13.266 -11.590 -3.153 1.00 0.00 H new ATOM 663 N CYS A 44 -11.251 -12.470 3.021 1.00 0.00 N ATOM 664 CA CYS A 44 -11.975 -12.387 4.285 1.00 0.00 C ATOM 665 C CYS A 44 -13.469 -12.200 4.044 1.00 0.00 C ATOM 666 O CYS A 44 -13.878 -11.602 3.048 1.00 0.00 O ATOM 667 CB CYS A 44 -11.434 -11.234 5.131 1.00 0.00 C ATOM 668 SG CYS A 44 -11.536 -9.617 4.328 1.00 0.00 S ATOM 0 H CYS A 44 -10.644 -11.673 2.829 1.00 0.00 H new ATOM 0 HA CYS A 44 -11.827 -13.323 4.823 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -11.986 -11.197 6.070 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -10.393 -11.438 5.381 1.00 0.00 H new ATOM 0 HG CYS A 44 -11.057 -8.707 5.123 1.00 0.00 H new ATOM 674 N TYR A 45 -14.280 -12.715 4.961 1.00 0.00 N ATOM 675 CA TYR A 45 -15.730 -12.608 4.846 1.00 0.00 C ATOM 676 C TYR A 45 -16.393 -12.696 6.217 1.00 0.00 C ATOM 677 O TYR A 45 -16.263 -13.699 6.920 1.00 0.00 O ATOM 678 CB TYR A 45 -16.273 -13.709 3.933 1.00 0.00 C ATOM 679 CG TYR A 45 -16.349 -13.306 2.478 1.00 0.00 C ATOM 680 CD1 TYR A 45 -17.297 -12.388 2.040 1.00 0.00 C ATOM 681 CD2 TYR A 45 -15.476 -13.843 1.541 1.00 0.00 C ATOM 682 CE1 TYR A 45 -17.371 -12.017 0.712 1.00 0.00 C ATOM 683 CE2 TYR A 45 -15.542 -13.476 0.210 1.00 0.00 C ATOM 684 CZ TYR A 45 -16.491 -12.563 -0.199 1.00 0.00 C ATOM 685 OH TYR A 45 -16.561 -12.197 -1.524 1.00 0.00 O ATOM 0 H TYR A 45 -13.958 -13.211 5.792 1.00 0.00 H new ATOM 0 HA TYR A 45 -15.964 -11.636 4.411 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -15.639 -14.591 4.024 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -17.268 -13.995 4.275 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -17.987 -11.958 2.751 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -14.733 -14.560 1.858 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -18.114 -11.303 0.388 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -14.854 -13.902 -0.506 1.00 0.00 H new ATOM 0 HH TYR A 45 -15.870 -12.672 -2.032 1.00 0.00 H new ATOM 695 N PHE A 46 -17.105 -11.639 6.592 1.00 0.00 N ATOM 696 CA PHE A 46 -17.789 -11.595 7.879 1.00 0.00 C ATOM 697 C PHE A 46 -18.642 -12.844 8.085 1.00 0.00 C ATOM 698 O PHE A 46 -18.492 -13.554 9.079 1.00 0.00 O ATOM 699 CB PHE A 46 -18.666 -10.344 7.972 1.00 0.00 C ATOM 700 CG PHE A 46 -19.245 -10.119 9.339 1.00 0.00 C ATOM 701 CD1 PHE A 46 -18.421 -9.851 10.420 1.00 0.00 C ATOM 702 CD2 PHE A 46 -20.615 -10.176 9.544 1.00 0.00 C ATOM 703 CE1 PHE A 46 -18.951 -9.642 11.680 1.00 0.00 C ATOM 704 CE2 PHE A 46 -21.150 -9.968 10.801 1.00 0.00 C ATOM 705 CZ PHE A 46 -20.318 -9.702 11.870 1.00 0.00 C ATOM 0 H PHE A 46 -17.224 -10.801 6.023 1.00 0.00 H new ATOM 0 HA PHE A 46 -17.033 -11.560 8.663 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -18.074 -9.473 7.689 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -19.479 -10.425 7.251 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -17.352 -9.805 10.277 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -21.271 -10.385 8.712 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -18.298 -9.432 12.514 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -22.219 -10.014 10.947 1.00 0.00 H new ATOM 0 HZ PHE A 46 -20.735 -9.541 12.853 1.00 0.00 H new ATOM 715 N ARG A 47 -19.537 -13.104 7.138 1.00 0.00 N ATOM 716 CA ARG A 47 -20.415 -14.265 7.215 1.00 0.00 C ATOM 717 C ARG A 47 -19.864 -15.420 6.385 1.00 0.00 C ATOM 718 O ARG A 47 -19.442 -15.233 5.243 1.00 0.00 O ATOM 719 CB ARG A 47 -21.821 -13.902 6.732 1.00 0.00 C ATOM 720 CG ARG A 47 -22.540 -12.917 7.639 1.00 0.00 C ATOM 721 CD ARG A 47 -22.832 -13.526 9.002 1.00 0.00 C ATOM 722 NE ARG A 47 -23.799 -14.617 8.918 1.00 0.00 N ATOM 723 CZ ARG A 47 -23.800 -15.663 9.737 1.00 0.00 C ATOM 724 NH1 ARG A 47 -22.890 -15.758 10.697 1.00 0.00 N ATOM 725 NH2 ARG A 47 -24.713 -16.615 9.598 1.00 0.00 N ATOM 0 H ARG A 47 -19.673 -12.526 6.308 1.00 0.00 H new ATOM 0 HA ARG A 47 -20.466 -14.581 8.257 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -21.754 -13.478 5.730 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -22.416 -14.812 6.654 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -21.930 -12.022 7.762 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -23.474 -12.605 7.171 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -21.905 -13.896 9.440 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -23.214 -12.754 9.670 1.00 0.00 H new ATOM 0 HE ARG A 47 -24.513 -14.574 8.191 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -22.187 -15.027 10.808 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -22.893 -16.562 11.325 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -25.415 -16.544 8.862 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -24.713 -17.418 10.227 1.00 0.00 H new ATOM 739 N LYS A 48 -19.870 -16.616 6.965 1.00 0.00 N ATOM 740 CA LYS A 48 -19.371 -17.802 6.280 1.00 0.00 C ATOM 741 C LYS A 48 -20.151 -18.056 4.994 1.00 0.00 C ATOM 742 O LYS A 48 -19.565 -18.321 3.945 1.00 0.00 O ATOM 743 CB LYS A 48 -19.467 -19.024 7.197 1.00 0.00 C ATOM 744 CG LYS A 48 -19.169 -20.337 6.494 1.00 0.00 C ATOM 745 CD LYS A 48 -19.105 -21.493 7.478 1.00 0.00 C ATOM 746 CE LYS A 48 -17.712 -21.647 8.067 1.00 0.00 C ATOM 747 NZ LYS A 48 -17.745 -22.296 9.407 1.00 0.00 N ATOM 0 H LYS A 48 -20.215 -16.789 7.909 1.00 0.00 H new ATOM 0 HA LYS A 48 -18.326 -17.630 6.022 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -18.772 -18.900 8.027 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -20.469 -19.069 7.624 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -19.939 -20.535 5.748 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -18.222 -20.259 5.961 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -19.824 -21.329 8.280 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -19.393 -22.416 6.975 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -17.096 -22.240 7.391 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -17.242 -20.667 8.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -16.776 -22.383 9.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -18.312 -21.717 10.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -18.170 -23.242 9.324 1.00 0.00 H new ATOM 761 N GLU A 49 -21.475 -17.972 5.084 1.00 0.00 N ATOM 762 CA GLU A 49 -22.334 -18.192 3.926 1.00 0.00 C ATOM 763 C GLU A 49 -21.725 -17.572 2.672 1.00 0.00 C ATOM 764 O GLU A 49 -21.440 -18.269 1.699 1.00 0.00 O ATOM 765 CB GLU A 49 -23.724 -17.605 4.176 1.00 0.00 C ATOM 766 CG GLU A 49 -24.511 -18.338 5.250 1.00 0.00 C ATOM 767 CD GLU A 49 -25.302 -19.508 4.698 1.00 0.00 C ATOM 768 OE1 GLU A 49 -24.759 -20.242 3.846 1.00 0.00 O ATOM 769 OE2 GLU A 49 -26.464 -19.689 5.119 1.00 0.00 O ATOM 0 H GLU A 49 -21.975 -17.754 5.946 1.00 0.00 H new ATOM 0 HA GLU A 49 -22.425 -19.267 3.771 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -23.621 -16.559 4.464 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -24.290 -17.625 3.245 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -23.824 -18.698 6.016 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -25.193 -17.640 5.735 1.00 0.00 H new ATOM 776 N ASN A 50 -21.531 -16.258 2.703 1.00 0.00 N ATOM 777 CA ASN A 50 -20.958 -15.543 1.569 1.00 0.00 C ATOM 778 C ASN A 50 -19.667 -16.208 1.102 1.00 0.00 C ATOM 779 O ASN A 50 -19.528 -16.567 -0.068 1.00 0.00 O ATOM 780 CB ASN A 50 -20.687 -14.084 1.943 1.00 0.00 C ATOM 781 CG ASN A 50 -20.331 -13.235 0.738 1.00 0.00 C ATOM 782 OD1 ASN A 50 -20.059 -13.755 -0.344 1.00 0.00 O ATOM 783 ND2 ASN A 50 -20.331 -11.919 0.921 1.00 0.00 N ATOM 0 H ASN A 50 -21.762 -15.667 3.501 1.00 0.00 H new ATOM 0 HA ASN A 50 -21.678 -15.574 0.751 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -21.568 -13.667 2.430 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -19.873 -14.042 2.667 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -20.099 -11.296 0.147 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -20.563 -11.531 1.835 1.00 0.00 H new ATOM 790 N LEU A 51 -18.725 -16.371 2.024 1.00 0.00 N ATOM 791 CA LEU A 51 -17.444 -16.994 1.709 1.00 0.00 C ATOM 792 C LEU A 51 -17.646 -18.278 0.910 1.00 0.00 C ATOM 793 O LEU A 51 -17.149 -18.410 -0.209 1.00 0.00 O ATOM 794 CB LEU A 51 -16.671 -17.296 2.993 1.00 0.00 C ATOM 795 CG LEU A 51 -15.488 -18.255 2.855 1.00 0.00 C ATOM 796 CD1 LEU A 51 -14.426 -17.664 1.940 1.00 0.00 C ATOM 797 CD2 LEU A 51 -14.899 -18.575 4.222 1.00 0.00 C ATOM 0 H LEU A 51 -18.824 -16.080 2.997 1.00 0.00 H new ATOM 0 HA LEU A 51 -16.868 -16.296 1.102 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -16.304 -16.355 3.402 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -17.366 -17.711 3.723 1.00 0.00 H new ATOM 0 HG LEU A 51 -15.847 -19.183 2.410 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -13.592 -18.360 1.854 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -14.854 -17.486 0.953 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -14.070 -16.722 2.357 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -14.058 -19.259 4.105 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -14.555 -17.655 4.695 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -15.661 -19.041 4.847 1.00 0.00 H new ATOM 809 N LEU A 52 -18.379 -19.221 1.491 1.00 0.00 N ATOM 810 CA LEU A 52 -18.649 -20.495 0.833 1.00 0.00 C ATOM 811 C LEU A 52 -19.135 -20.277 -0.596 1.00 0.00 C ATOM 812 O LEU A 52 -18.717 -20.977 -1.518 1.00 0.00 O ATOM 813 CB LEU A 52 -19.691 -21.289 1.623 1.00 0.00 C ATOM 814 CG LEU A 52 -19.275 -21.733 3.026 1.00 0.00 C ATOM 815 CD1 LEU A 52 -20.490 -22.166 3.831 1.00 0.00 C ATOM 816 CD2 LEU A 52 -18.255 -22.860 2.948 1.00 0.00 C ATOM 0 H LEU A 52 -18.797 -19.128 2.417 1.00 0.00 H new ATOM 0 HA LEU A 52 -17.719 -21.062 0.798 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -20.593 -20.682 1.708 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -19.956 -22.175 1.047 1.00 0.00 H new ATOM 0 HG LEU A 52 -18.813 -20.886 3.532 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -20.174 -22.479 4.826 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -21.186 -21.332 3.916 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -20.982 -22.999 3.328 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -17.970 -23.163 3.955 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -18.691 -23.710 2.423 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -17.372 -22.515 2.410 1.00 0.00 H new ATOM 828 N GLU A 53 -20.020 -19.300 -0.773 1.00 0.00 N ATOM 829 CA GLU A 53 -20.561 -18.989 -2.090 1.00 0.00 C ATOM 830 C GLU A 53 -19.451 -18.567 -3.049 1.00 0.00 C ATOM 831 O GLU A 53 -19.371 -19.055 -4.177 1.00 0.00 O ATOM 832 CB GLU A 53 -21.610 -17.880 -1.987 1.00 0.00 C ATOM 833 CG GLU A 53 -22.917 -18.335 -1.359 1.00 0.00 C ATOM 834 CD GLU A 53 -24.056 -17.369 -1.618 1.00 0.00 C ATOM 835 OE1 GLU A 53 -23.829 -16.144 -1.523 1.00 0.00 O ATOM 836 OE2 GLU A 53 -25.175 -17.837 -1.915 1.00 0.00 O ATOM 0 H GLU A 53 -20.377 -18.711 -0.021 1.00 0.00 H new ATOM 0 HA GLU A 53 -21.033 -19.890 -2.482 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -21.201 -17.058 -1.399 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -21.812 -17.489 -2.984 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -23.182 -19.317 -1.752 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -22.779 -18.448 -0.284 1.00 0.00 H new ATOM 843 N HIS A 54 -18.598 -17.656 -2.592 1.00 0.00 N ATOM 844 CA HIS A 54 -17.493 -17.166 -3.408 1.00 0.00 C ATOM 845 C HIS A 54 -16.646 -18.325 -3.927 1.00 0.00 C ATOM 846 O HIS A 54 -16.184 -18.305 -5.067 1.00 0.00 O ATOM 847 CB HIS A 54 -16.621 -16.205 -2.600 1.00 0.00 C ATOM 848 CG HIS A 54 -15.176 -16.231 -2.995 1.00 0.00 C ATOM 849 ND1 HIS A 54 -14.608 -15.293 -3.831 1.00 0.00 N ATOM 850 CD2 HIS A 54 -14.182 -17.087 -2.661 1.00 0.00 C ATOM 851 CE1 HIS A 54 -13.327 -15.573 -3.996 1.00 0.00 C ATOM 852 NE2 HIS A 54 -13.044 -16.657 -3.297 1.00 0.00 N ATOM 0 H HIS A 54 -18.651 -17.242 -1.661 1.00 0.00 H new ATOM 0 HA HIS A 54 -17.913 -16.634 -4.262 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -17.004 -15.192 -2.720 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -16.705 -16.454 -1.542 1.00 0.00 H new ATOM 0 HD1 HIS A 54 -15.099 -14.506 -4.255 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -14.268 -17.948 -2.015 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -12.630 -15.011 -4.600 1.00 0.00 H new ATOM 860 N GLU A 55 -16.448 -19.332 -3.082 1.00 0.00 N ATOM 861 CA GLU A 55 -15.656 -20.498 -3.457 1.00 0.00 C ATOM 862 C GLU A 55 -16.201 -21.140 -4.730 1.00 0.00 C ATOM 863 O GLU A 55 -15.522 -21.183 -5.755 1.00 0.00 O ATOM 864 CB GLU A 55 -15.647 -21.522 -2.320 1.00 0.00 C ATOM 865 CG GLU A 55 -14.601 -21.239 -1.254 1.00 0.00 C ATOM 866 CD GLU A 55 -14.144 -22.494 -0.538 1.00 0.00 C ATOM 867 OE1 GLU A 55 -14.918 -23.022 0.288 1.00 0.00 O ATOM 868 OE2 GLU A 55 -13.011 -22.949 -0.803 1.00 0.00 O ATOM 0 H GLU A 55 -16.824 -19.364 -2.135 1.00 0.00 H new ATOM 0 HA GLU A 55 -14.635 -20.166 -3.647 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -16.632 -21.543 -1.854 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -15.470 -22.514 -2.737 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -13.740 -20.754 -1.715 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -15.010 -20.538 -0.526 1.00 0.00 H new ATOM 875 N ALA A 56 -17.431 -21.638 -4.654 1.00 0.00 N ATOM 876 CA ALA A 56 -18.068 -22.276 -5.800 1.00 0.00 C ATOM 877 C ALA A 56 -18.305 -21.275 -6.925 1.00 0.00 C ATOM 878 O ALA A 56 -17.964 -21.532 -8.080 1.00 0.00 O ATOM 879 CB ALA A 56 -19.380 -22.923 -5.381 1.00 0.00 C ATOM 0 H ALA A 56 -18.006 -21.612 -3.812 1.00 0.00 H new ATOM 0 HA ALA A 56 -17.397 -23.049 -6.174 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -19.845 -23.396 -6.246 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -19.187 -23.676 -4.617 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -20.049 -22.162 -4.980 1.00 0.00 H new ATOM 885 N ARG A 57 -18.891 -20.133 -6.580 1.00 0.00 N ATOM 886 CA ARG A 57 -19.175 -19.093 -7.563 1.00 0.00 C ATOM 887 C ARG A 57 -17.916 -18.722 -8.341 1.00 0.00 C ATOM 888 O ARG A 57 -17.846 -18.912 -9.554 1.00 0.00 O ATOM 889 CB ARG A 57 -19.745 -17.852 -6.873 1.00 0.00 C ATOM 890 CG ARG A 57 -21.249 -17.910 -6.662 1.00 0.00 C ATOM 891 CD ARG A 57 -22.003 -17.686 -7.964 1.00 0.00 C ATOM 892 NE ARG A 57 -23.359 -17.195 -7.733 1.00 0.00 N ATOM 893 CZ ARG A 57 -23.658 -15.912 -7.562 1.00 0.00 C ATOM 894 NH1 ARG A 57 -22.701 -14.995 -7.596 1.00 0.00 N ATOM 895 NH2 ARG A 57 -24.916 -15.544 -7.357 1.00 0.00 N ATOM 0 H ARG A 57 -19.178 -19.904 -5.628 1.00 0.00 H new ATOM 0 HA ARG A 57 -19.913 -19.482 -8.264 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -19.256 -17.727 -5.907 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -19.504 -16.972 -7.469 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -21.522 -18.879 -6.244 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -21.545 -17.154 -5.934 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -21.458 -16.970 -8.580 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -22.046 -18.620 -8.523 1.00 0.00 H new ATOM 0 HE ARG A 57 -24.119 -17.875 -7.701 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -21.733 -15.274 -7.754 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -22.933 -14.011 -7.464 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -25.655 -16.247 -7.331 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -25.144 -14.559 -7.226 1.00 0.00 H new ATOM 909 N ASN A 58 -16.924 -18.191 -7.634 1.00 0.00 N ATOM 910 CA ASN A 58 -15.668 -17.792 -8.259 1.00 0.00 C ATOM 911 C ASN A 58 -14.612 -17.474 -7.204 1.00 0.00 C ATOM 912 O ASN A 58 -14.863 -16.715 -6.267 1.00 0.00 O ATOM 913 CB ASN A 58 -15.887 -16.576 -9.160 1.00 0.00 C ATOM 914 CG ASN A 58 -14.585 -16.018 -9.704 1.00 0.00 C ATOM 915 OD1 ASN A 58 -13.940 -16.633 -10.552 1.00 0.00 O ATOM 916 ND2 ASN A 58 -14.195 -14.846 -9.216 1.00 0.00 N ATOM 0 H ASN A 58 -16.965 -18.027 -6.628 1.00 0.00 H new ATOM 0 HA ASN A 58 -15.311 -18.625 -8.865 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -16.535 -16.855 -9.991 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -16.406 -15.799 -8.598 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -13.328 -14.420 -9.544 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -14.762 -14.372 -8.513 1.00 0.00 H new ATOM 1031 N VAL A 66 3.938 -10.575 -10.822 1.00 0.00 N ATOM 1032 CA VAL A 66 4.447 -9.523 -9.950 1.00 0.00 C ATOM 1033 C VAL A 66 5.916 -9.234 -10.239 1.00 0.00 C ATOM 1034 O VAL A 66 6.588 -10.002 -10.928 1.00 0.00 O ATOM 1035 CB VAL A 66 4.292 -9.901 -8.465 1.00 0.00 C ATOM 1036 CG1 VAL A 66 2.822 -10.038 -8.100 1.00 0.00 C ATOM 1037 CG2 VAL A 66 5.048 -11.185 -8.160 1.00 0.00 C ATOM 0 HA VAL A 66 3.857 -8.630 -10.153 1.00 0.00 H new ATOM 0 HB VAL A 66 4.719 -9.103 -7.858 1.00 0.00 H new ATOM 0 HG11 VAL A 66 2.732 -10.305 -7.047 1.00 0.00 H new ATOM 0 HG12 VAL A 66 2.313 -9.091 -8.279 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.366 -10.816 -8.712 1.00 0.00 H new ATOM 0 HG21 VAL A 66 4.927 -11.437 -7.106 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.653 -11.994 -8.774 1.00 0.00 H new ATOM 0 HG23 VAL A 66 6.106 -11.045 -8.381 1.00 0.00 H new ATOM 1047 N PHE A 67 6.410 -8.121 -9.706 1.00 0.00 N ATOM 1048 CA PHE A 67 7.800 -7.729 -9.906 1.00 0.00 C ATOM 1049 C PHE A 67 8.580 -7.803 -8.597 1.00 0.00 C ATOM 1050 O PHE A 67 8.017 -7.636 -7.514 1.00 0.00 O ATOM 1051 CB PHE A 67 7.875 -6.312 -10.478 1.00 0.00 C ATOM 1052 CG PHE A 67 7.269 -6.185 -11.846 1.00 0.00 C ATOM 1053 CD1 PHE A 67 5.906 -6.351 -12.032 1.00 0.00 C ATOM 1054 CD2 PHE A 67 8.062 -5.900 -12.946 1.00 0.00 C ATOM 1055 CE1 PHE A 67 5.344 -6.235 -13.290 1.00 0.00 C ATOM 1056 CE2 PHE A 67 7.505 -5.782 -14.206 1.00 0.00 C ATOM 1057 CZ PHE A 67 6.145 -5.951 -14.379 1.00 0.00 C ATOM 0 H PHE A 67 5.868 -7.475 -9.132 1.00 0.00 H new ATOM 0 HA PHE A 67 8.249 -8.424 -10.615 1.00 0.00 H new ATOM 0 HB2 PHE A 67 7.366 -5.627 -9.799 1.00 0.00 H new ATOM 0 HB3 PHE A 67 8.919 -6.001 -10.521 1.00 0.00 H new ATOM 0 HD1 PHE A 67 5.275 -6.574 -11.184 1.00 0.00 H new ATOM 0 HD2 PHE A 67 9.126 -5.769 -12.818 1.00 0.00 H new ATOM 0 HE1 PHE A 67 4.280 -6.366 -13.421 1.00 0.00 H new ATOM 0 HE2 PHE A 67 8.133 -5.558 -15.055 1.00 0.00 H new ATOM 0 HZ PHE A 67 5.709 -5.861 -15.363 1.00 0.00 H new ATOM 1067 N THR A 68 9.881 -8.056 -8.703 1.00 0.00 N ATOM 1068 CA THR A 68 10.739 -8.154 -7.529 1.00 0.00 C ATOM 1069 C THR A 68 11.777 -7.038 -7.512 1.00 0.00 C ATOM 1070 O THR A 68 12.497 -6.830 -8.489 1.00 0.00 O ATOM 1071 CB THR A 68 11.462 -9.513 -7.474 1.00 0.00 C ATOM 1072 OG1 THR A 68 10.504 -10.575 -7.410 1.00 0.00 O ATOM 1073 CG2 THR A 68 12.388 -9.585 -6.269 1.00 0.00 C ATOM 0 H THR A 68 10.363 -8.197 -9.591 1.00 0.00 H new ATOM 0 HA THR A 68 10.093 -8.059 -6.656 1.00 0.00 H new ATOM 0 HB THR A 68 12.061 -9.618 -8.379 1.00 0.00 H new ATOM 0 HG1 THR A 68 10.971 -11.436 -7.377 1.00 0.00 H new ATOM 0 HG21 THR A 68 12.887 -10.554 -6.251 1.00 0.00 H new ATOM 0 HG22 THR A 68 13.134 -8.793 -6.336 1.00 0.00 H new ATOM 0 HG23 THR A 68 11.807 -9.460 -5.355 1.00 0.00 H new ATOM 1081 N CYS A 69 11.851 -6.322 -6.395 1.00 0.00 N ATOM 1082 CA CYS A 69 12.801 -5.226 -6.250 1.00 0.00 C ATOM 1083 C CYS A 69 14.229 -5.710 -6.484 1.00 0.00 C ATOM 1084 O CYS A 69 14.478 -6.910 -6.600 1.00 0.00 O ATOM 1085 CB CYS A 69 12.685 -4.603 -4.858 1.00 0.00 C ATOM 1086 SG CYS A 69 13.349 -2.910 -4.742 1.00 0.00 S ATOM 0 H CYS A 69 11.264 -6.482 -5.576 1.00 0.00 H new ATOM 0 HA CYS A 69 12.563 -4.471 -7.000 1.00 0.00 H new ATOM 0 HB2 CYS A 69 11.636 -4.591 -4.564 1.00 0.00 H new ATOM 0 HB3 CYS A 69 13.209 -5.237 -4.143 1.00 0.00 H new ATOM 0 HG CYS A 69 13.982 -2.768 -3.615 1.00 0.00 H new ATOM 1091 N SER A 70 15.164 -4.768 -6.553 1.00 0.00 N ATOM 1092 CA SER A 70 16.567 -5.097 -6.777 1.00 0.00 C ATOM 1093 C SER A 70 17.403 -4.781 -5.541 1.00 0.00 C ATOM 1094 O SER A 70 18.630 -4.886 -5.564 1.00 0.00 O ATOM 1095 CB SER A 70 17.107 -4.327 -7.983 1.00 0.00 C ATOM 1096 OG SER A 70 18.488 -4.584 -8.176 1.00 0.00 O ATOM 0 H SER A 70 14.975 -3.770 -6.457 1.00 0.00 H new ATOM 0 HA SER A 70 16.636 -6.166 -6.977 1.00 0.00 H new ATOM 0 HB2 SER A 70 16.553 -4.611 -8.878 1.00 0.00 H new ATOM 0 HB3 SER A 70 16.950 -3.258 -7.836 1.00 0.00 H new ATOM 0 HG SER A 70 18.903 -4.806 -7.316 1.00 0.00 H new ATOM 1102 N VAL A 71 16.731 -4.394 -4.462 1.00 0.00 N ATOM 1103 CA VAL A 71 17.410 -4.063 -3.215 1.00 0.00 C ATOM 1104 C VAL A 71 16.835 -4.857 -2.048 1.00 0.00 C ATOM 1105 O VAL A 71 17.574 -5.456 -1.266 1.00 0.00 O ATOM 1106 CB VAL A 71 17.304 -2.559 -2.900 1.00 0.00 C ATOM 1107 CG1 VAL A 71 17.955 -2.247 -1.561 1.00 0.00 C ATOM 1108 CG2 VAL A 71 17.934 -1.736 -4.014 1.00 0.00 C ATOM 0 H VAL A 71 15.716 -4.302 -4.426 1.00 0.00 H new ATOM 0 HA VAL A 71 18.460 -4.326 -3.347 1.00 0.00 H new ATOM 0 HB VAL A 71 16.249 -2.292 -2.835 1.00 0.00 H new ATOM 0 HG11 VAL A 71 17.870 -1.180 -1.355 1.00 0.00 H new ATOM 0 HG12 VAL A 71 17.454 -2.809 -0.773 1.00 0.00 H new ATOM 0 HG13 VAL A 71 19.008 -2.528 -1.594 1.00 0.00 H new ATOM 0 HG21 VAL A 71 17.850 -0.676 -3.775 1.00 0.00 H new ATOM 0 HG22 VAL A 71 18.986 -2.004 -4.114 1.00 0.00 H new ATOM 0 HG23 VAL A 71 17.418 -1.938 -4.952 1.00 0.00 H new ATOM 1118 N CYS A 72 15.510 -4.860 -1.937 1.00 0.00 N ATOM 1119 CA CYS A 72 14.834 -5.580 -0.866 1.00 0.00 C ATOM 1120 C CYS A 72 14.012 -6.739 -1.424 1.00 0.00 C ATOM 1121 O CYS A 72 13.401 -7.497 -0.672 1.00 0.00 O ATOM 1122 CB CYS A 72 13.929 -4.632 -0.077 1.00 0.00 C ATOM 1123 SG CYS A 72 12.629 -3.840 -1.079 1.00 0.00 S ATOM 0 H CYS A 72 14.884 -4.371 -2.577 1.00 0.00 H new ATOM 0 HA CYS A 72 15.594 -5.985 -0.198 1.00 0.00 H new ATOM 0 HB2 CYS A 72 13.459 -5.187 0.735 1.00 0.00 H new ATOM 0 HB3 CYS A 72 14.544 -3.857 0.380 1.00 0.00 H new ATOM 0 HG CYS A 72 11.915 -3.059 -0.324 1.00 0.00 H new ATOM 1128 N GLN A 73 14.004 -6.868 -2.747 1.00 0.00 N ATOM 1129 CA GLN A 73 13.257 -7.933 -3.405 1.00 0.00 C ATOM 1130 C GLN A 73 11.770 -7.834 -3.084 1.00 0.00 C ATOM 1131 O GLN A 73 11.084 -8.848 -2.956 1.00 0.00 O ATOM 1132 CB GLN A 73 13.793 -9.300 -2.977 1.00 0.00 C ATOM 1133 CG GLN A 73 15.308 -9.409 -3.048 1.00 0.00 C ATOM 1134 CD GLN A 73 15.876 -8.822 -4.325 1.00 0.00 C ATOM 1135 OE1 GLN A 73 15.780 -9.424 -5.395 1.00 0.00 O ATOM 1136 NE2 GLN A 73 16.472 -7.640 -4.220 1.00 0.00 N ATOM 0 H GLN A 73 14.506 -6.249 -3.383 1.00 0.00 H new ATOM 0 HA GLN A 73 13.386 -7.821 -4.482 1.00 0.00 H new ATOM 0 HB2 GLN A 73 13.470 -9.504 -1.956 1.00 0.00 H new ATOM 0 HB3 GLN A 73 13.352 -10.069 -3.611 1.00 0.00 H new ATOM 0 HG2 GLN A 73 15.746 -8.897 -2.191 1.00 0.00 H new ATOM 0 HG3 GLN A 73 15.597 -10.457 -2.975 1.00 0.00 H new ATOM 0 HE21 GLN A 73 16.529 -7.176 -3.313 1.00 0.00 H new ATOM 0 HE22 GLN A 73 16.873 -7.196 -5.046 1.00 0.00 H new ATOM 1145 N GLU A 74 11.277 -6.606 -2.956 1.00 0.00 N ATOM 1146 CA GLU A 74 9.871 -6.375 -2.648 1.00 0.00 C ATOM 1147 C GLU A 74 8.972 -6.998 -3.713 1.00 0.00 C ATOM 1148 O GLU A 74 9.449 -7.664 -4.633 1.00 0.00 O ATOM 1149 CB GLU A 74 9.588 -4.876 -2.540 1.00 0.00 C ATOM 1150 CG GLU A 74 8.551 -4.526 -1.486 1.00 0.00 C ATOM 1151 CD GLU A 74 8.648 -5.409 -0.257 1.00 0.00 C ATOM 1152 OE1 GLU A 74 8.041 -6.500 -0.260 1.00 0.00 O ATOM 1153 OE2 GLU A 74 9.331 -5.007 0.709 1.00 0.00 O ATOM 0 H GLU A 74 11.831 -5.756 -3.061 1.00 0.00 H new ATOM 0 HA GLU A 74 9.653 -6.848 -1.690 1.00 0.00 H new ATOM 0 HB2 GLU A 74 10.517 -4.355 -2.310 1.00 0.00 H new ATOM 0 HB3 GLU A 74 9.248 -4.508 -3.508 1.00 0.00 H new ATOM 0 HG2 GLU A 74 8.675 -3.484 -1.191 1.00 0.00 H new ATOM 0 HG3 GLU A 74 7.554 -4.618 -1.917 1.00 0.00 H new ATOM 1160 N THR A 75 7.668 -6.776 -3.582 1.00 0.00 N ATOM 1161 CA THR A 75 6.702 -7.315 -4.531 1.00 0.00 C ATOM 1162 C THR A 75 5.794 -6.217 -5.075 1.00 0.00 C ATOM 1163 O THR A 75 5.187 -5.466 -4.313 1.00 0.00 O ATOM 1164 CB THR A 75 5.833 -8.411 -3.886 1.00 0.00 C ATOM 1165 OG1 THR A 75 5.321 -7.955 -2.629 1.00 0.00 O ATOM 1166 CG2 THR A 75 6.636 -9.687 -3.680 1.00 0.00 C ATOM 0 H THR A 75 7.257 -6.226 -2.828 1.00 0.00 H new ATOM 0 HA THR A 75 7.273 -7.750 -5.351 1.00 0.00 H new ATOM 0 HB THR A 75 5.003 -8.628 -4.558 1.00 0.00 H new ATOM 0 HG1 THR A 75 5.062 -7.013 -2.704 1.00 0.00 H new ATOM 0 HG21 THR A 75 6.001 -10.446 -3.223 1.00 0.00 H new ATOM 0 HG22 THR A 75 6.999 -10.048 -4.642 1.00 0.00 H new ATOM 0 HG23 THR A 75 7.484 -9.482 -3.027 1.00 0.00 H new ATOM 1174 N PHE A 76 5.706 -6.131 -6.398 1.00 0.00 N ATOM 1175 CA PHE A 76 4.872 -5.124 -7.045 1.00 0.00 C ATOM 1176 C PHE A 76 4.032 -5.746 -8.157 1.00 0.00 C ATOM 1177 O PHE A 76 4.568 -6.284 -9.127 1.00 0.00 O ATOM 1178 CB PHE A 76 5.741 -4.001 -7.614 1.00 0.00 C ATOM 1179 CG PHE A 76 6.821 -3.544 -6.675 1.00 0.00 C ATOM 1180 CD1 PHE A 76 8.011 -4.246 -6.574 1.00 0.00 C ATOM 1181 CD2 PHE A 76 6.646 -2.414 -5.894 1.00 0.00 C ATOM 1182 CE1 PHE A 76 9.008 -3.829 -5.712 1.00 0.00 C ATOM 1183 CE2 PHE A 76 7.639 -1.991 -5.030 1.00 0.00 C ATOM 1184 CZ PHE A 76 8.820 -2.700 -4.938 1.00 0.00 C ATOM 0 H PHE A 76 6.202 -6.746 -7.043 1.00 0.00 H new ATOM 0 HA PHE A 76 4.199 -4.709 -6.295 1.00 0.00 H new ATOM 0 HB2 PHE A 76 6.198 -4.342 -8.543 1.00 0.00 H new ATOM 0 HB3 PHE A 76 5.105 -3.152 -7.864 1.00 0.00 H new ATOM 0 HD1 PHE A 76 8.162 -5.130 -7.176 1.00 0.00 H new ATOM 0 HD2 PHE A 76 5.723 -1.857 -5.961 1.00 0.00 H new ATOM 0 HE1 PHE A 76 9.932 -4.384 -5.644 1.00 0.00 H new ATOM 0 HE2 PHE A 76 7.491 -1.107 -4.428 1.00 0.00 H new ATOM 0 HZ PHE A 76 9.596 -2.373 -4.262 1.00 0.00 H new ATOM 1194 N ARG A 77 2.714 -5.670 -8.008 1.00 0.00 N ATOM 1195 CA ARG A 77 1.800 -6.226 -8.998 1.00 0.00 C ATOM 1196 C ARG A 77 2.142 -5.723 -10.397 1.00 0.00 C ATOM 1197 O ARG A 77 1.980 -6.443 -11.383 1.00 0.00 O ATOM 1198 CB ARG A 77 0.355 -5.861 -8.651 1.00 0.00 C ATOM 1199 CG ARG A 77 0.091 -4.364 -8.644 1.00 0.00 C ATOM 1200 CD ARG A 77 0.546 -3.724 -7.343 1.00 0.00 C ATOM 1201 NE ARG A 77 -0.164 -2.478 -7.067 1.00 0.00 N ATOM 1202 CZ ARG A 77 -0.036 -1.793 -5.936 1.00 0.00 C ATOM 1203 NH1 ARG A 77 0.771 -2.232 -4.980 1.00 0.00 N ATOM 1204 NH2 ARG A 77 -0.715 -0.667 -5.760 1.00 0.00 N ATOM 0 H ARG A 77 2.255 -5.229 -7.211 1.00 0.00 H new ATOM 0 HA ARG A 77 1.906 -7.311 -8.985 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -0.313 -6.336 -9.369 1.00 0.00 H new ATOM 0 HB3 ARG A 77 0.111 -6.269 -7.670 1.00 0.00 H new ATOM 0 HG2 ARG A 77 0.611 -3.898 -9.481 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -0.974 -4.181 -8.788 1.00 0.00 H new ATOM 0 HD2 ARG A 77 0.386 -4.422 -6.521 1.00 0.00 H new ATOM 0 HD3 ARG A 77 1.617 -3.528 -7.391 1.00 0.00 H new ATOM 0 HE ARG A 77 -0.793 -2.113 -7.782 1.00 0.00 H new ATOM 0 HH11 ARG A 77 1.295 -3.097 -5.112 1.00 0.00 H new ATOM 0 HH12 ARG A 77 0.868 -1.705 -4.112 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -1.336 -0.326 -6.494 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -0.616 -0.142 -4.891 1.00 0.00 H new ATOM 1218 N ARG A 78 2.614 -4.483 -10.475 1.00 0.00 N ATOM 1219 CA ARG A 78 2.977 -3.883 -11.754 1.00 0.00 C ATOM 1220 C ARG A 78 4.419 -3.387 -11.731 1.00 0.00 C ATOM 1221 O ARG A 78 5.054 -3.341 -10.678 1.00 0.00 O ATOM 1222 CB ARG A 78 2.033 -2.725 -12.084 1.00 0.00 C ATOM 1223 CG ARG A 78 0.579 -3.145 -12.222 1.00 0.00 C ATOM 1224 CD ARG A 78 -0.356 -1.947 -12.155 1.00 0.00 C ATOM 1225 NE ARG A 78 -0.534 -1.318 -13.461 1.00 0.00 N ATOM 1226 CZ ARG A 78 -1.677 -0.777 -13.866 1.00 0.00 C ATOM 1227 NH1 ARG A 78 -2.738 -0.789 -13.072 1.00 0.00 N ATOM 1228 NH2 ARG A 78 -1.761 -0.223 -15.069 1.00 0.00 N ATOM 0 H ARG A 78 2.754 -3.874 -9.668 1.00 0.00 H new ATOM 0 HA ARG A 78 2.886 -4.648 -12.525 1.00 0.00 H new ATOM 0 HB2 ARG A 78 2.111 -1.969 -11.302 1.00 0.00 H new ATOM 0 HB3 ARG A 78 2.357 -2.257 -13.014 1.00 0.00 H new ATOM 0 HG2 ARG A 78 0.438 -3.665 -13.169 1.00 0.00 H new ATOM 0 HG3 ARG A 78 0.326 -3.850 -11.430 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -1.325 -2.265 -11.771 1.00 0.00 H new ATOM 0 HD3 ARG A 78 0.042 -1.216 -11.452 1.00 0.00 H new ATOM 0 HE ARG A 78 0.263 -1.293 -14.097 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -2.678 -1.215 -12.147 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -3.615 -0.373 -13.386 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -0.947 -0.212 -15.684 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -2.640 0.192 -15.379 1.00 0.00 H new ATOM 1242 N ARG A 79 4.931 -3.018 -12.901 1.00 0.00 N ATOM 1243 CA ARG A 79 6.299 -2.528 -13.016 1.00 0.00 C ATOM 1244 C ARG A 79 6.410 -1.099 -12.493 1.00 0.00 C ATOM 1245 O ARG A 79 7.160 -0.827 -11.556 1.00 0.00 O ATOM 1246 CB ARG A 79 6.763 -2.586 -14.473 1.00 0.00 C ATOM 1247 CG ARG A 79 8.133 -1.967 -14.700 1.00 0.00 C ATOM 1248 CD ARG A 79 9.244 -2.863 -14.176 1.00 0.00 C ATOM 1249 NE ARG A 79 10.568 -2.349 -14.515 1.00 0.00 N ATOM 1250 CZ ARG A 79 11.635 -3.122 -14.687 1.00 0.00 C ATOM 1251 NH1 ARG A 79 11.533 -4.437 -14.552 1.00 0.00 N ATOM 1252 NH2 ARG A 79 12.806 -2.579 -14.994 1.00 0.00 N ATOM 0 H ARG A 79 4.419 -3.049 -13.782 1.00 0.00 H new ATOM 0 HA ARG A 79 6.940 -3.169 -12.411 1.00 0.00 H new ATOM 0 HB2 ARG A 79 6.785 -3.626 -14.797 1.00 0.00 H new ATOM 0 HB3 ARG A 79 6.033 -2.072 -15.099 1.00 0.00 H new ATOM 0 HG2 ARG A 79 8.280 -1.788 -15.765 1.00 0.00 H new ATOM 0 HG3 ARG A 79 8.182 -0.998 -14.204 1.00 0.00 H new ATOM 0 HD2 ARG A 79 9.157 -2.953 -13.093 1.00 0.00 H new ATOM 0 HD3 ARG A 79 9.127 -3.865 -14.590 1.00 0.00 H new ATOM 0 HE ARG A 79 10.680 -1.341 -14.626 1.00 0.00 H new ATOM 0 HH11 ARG A 79 10.634 -4.857 -14.316 1.00 0.00 H new ATOM 0 HH12 ARG A 79 12.353 -5.028 -14.685 1.00 0.00 H new ATOM 0 HH21 ARG A 79 12.888 -1.568 -15.098 1.00 0.00 H new ATOM 0 HH22 ARG A 79 13.625 -3.173 -15.126 1.00 0.00 H new ATOM 1266 N MET A 80 5.658 -0.190 -13.105 1.00 0.00 N ATOM 1267 CA MET A 80 5.672 1.211 -12.700 1.00 0.00 C ATOM 1268 C MET A 80 5.796 1.338 -11.185 1.00 0.00 C ATOM 1269 O MET A 80 6.630 2.091 -10.683 1.00 0.00 O ATOM 1270 CB MET A 80 4.401 1.916 -13.180 1.00 0.00 C ATOM 1271 CG MET A 80 4.325 3.377 -12.769 1.00 0.00 C ATOM 1272 SD MET A 80 5.089 4.478 -13.976 1.00 0.00 S ATOM 1273 CE MET A 80 6.806 4.391 -13.473 1.00 0.00 C ATOM 0 H MET A 80 5.032 -0.398 -13.883 1.00 0.00 H new ATOM 0 HA MET A 80 6.538 1.687 -13.159 1.00 0.00 H new ATOM 0 HB2 MET A 80 4.347 1.849 -14.267 1.00 0.00 H new ATOM 0 HB3 MET A 80 3.532 1.390 -12.784 1.00 0.00 H new ATOM 0 HG2 MET A 80 3.281 3.659 -12.635 1.00 0.00 H new ATOM 0 HG3 MET A 80 4.816 3.505 -11.804 1.00 0.00 H new ATOM 0 HE1 MET A 80 7.298 5.339 -13.692 1.00 0.00 H new ATOM 0 HE2 MET A 80 6.862 4.192 -12.403 1.00 0.00 H new ATOM 0 HE3 MET A 80 7.305 3.589 -14.018 1.00 0.00 H new ATOM 1283 N GLU A 81 4.962 0.597 -10.463 1.00 0.00 N ATOM 1284 CA GLU A 81 4.979 0.628 -9.005 1.00 0.00 C ATOM 1285 C GLU A 81 6.402 0.479 -8.475 1.00 0.00 C ATOM 1286 O GLU A 81 6.841 1.247 -7.618 1.00 0.00 O ATOM 1287 CB GLU A 81 4.092 -0.483 -8.438 1.00 0.00 C ATOM 1288 CG GLU A 81 2.652 -0.415 -8.916 1.00 0.00 C ATOM 1289 CD GLU A 81 1.935 0.832 -8.435 1.00 0.00 C ATOM 1290 OE1 GLU A 81 2.278 1.329 -7.343 1.00 0.00 O ATOM 1291 OE2 GLU A 81 1.032 1.310 -9.153 1.00 0.00 O ATOM 0 H GLU A 81 4.266 -0.032 -10.863 1.00 0.00 H new ATOM 0 HA GLU A 81 4.589 1.593 -8.683 1.00 0.00 H new ATOM 0 HB2 GLU A 81 4.513 -1.450 -8.715 1.00 0.00 H new ATOM 0 HB3 GLU A 81 4.108 -0.429 -7.349 1.00 0.00 H new ATOM 0 HG2 GLU A 81 2.633 -0.443 -10.005 1.00 0.00 H new ATOM 0 HG3 GLU A 81 2.115 -1.296 -8.565 1.00 0.00 H new ATOM 1298 N LEU A 82 7.118 -0.515 -8.989 1.00 0.00 N ATOM 1299 CA LEU A 82 8.491 -0.767 -8.568 1.00 0.00 C ATOM 1300 C LEU A 82 9.358 0.473 -8.765 1.00 0.00 C ATOM 1301 O LEU A 82 10.219 0.778 -7.941 1.00 0.00 O ATOM 1302 CB LEU A 82 9.078 -1.943 -9.351 1.00 0.00 C ATOM 1303 CG LEU A 82 10.595 -2.118 -9.262 1.00 0.00 C ATOM 1304 CD1 LEU A 82 11.019 -2.378 -7.825 1.00 0.00 C ATOM 1305 CD2 LEU A 82 11.055 -3.250 -10.169 1.00 0.00 C ATOM 0 H LEU A 82 6.770 -1.160 -9.698 1.00 0.00 H new ATOM 0 HA LEU A 82 8.479 -1.015 -7.507 1.00 0.00 H new ATOM 0 HB2 LEU A 82 8.605 -2.860 -8.999 1.00 0.00 H new ATOM 0 HB3 LEU A 82 8.807 -1.827 -10.400 1.00 0.00 H new ATOM 0 HG LEU A 82 11.068 -1.195 -9.597 1.00 0.00 H new ATOM 0 HD11 LEU A 82 12.101 -2.500 -7.781 1.00 0.00 H new ATOM 0 HD12 LEU A 82 10.723 -1.535 -7.200 1.00 0.00 H new ATOM 0 HD13 LEU A 82 10.537 -3.286 -7.462 1.00 0.00 H new ATOM 0 HD21 LEU A 82 12.137 -3.360 -10.093 1.00 0.00 H new ATOM 0 HD22 LEU A 82 10.573 -4.179 -9.864 1.00 0.00 H new ATOM 0 HD23 LEU A 82 10.785 -3.023 -11.200 1.00 0.00 H new ATOM 1317 N ARG A 83 9.121 1.185 -9.862 1.00 0.00 N ATOM 1318 CA ARG A 83 9.879 2.393 -10.167 1.00 0.00 C ATOM 1319 C ARG A 83 9.663 3.456 -9.094 1.00 0.00 C ATOM 1320 O ARG A 83 10.612 4.095 -8.639 1.00 0.00 O ATOM 1321 CB ARG A 83 9.472 2.944 -11.535 1.00 0.00 C ATOM 1322 CG ARG A 83 9.591 1.929 -12.661 1.00 0.00 C ATOM 1323 CD ARG A 83 11.045 1.636 -12.996 1.00 0.00 C ATOM 1324 NE ARG A 83 11.553 2.515 -14.045 1.00 0.00 N ATOM 1325 CZ ARG A 83 12.766 3.057 -14.026 1.00 0.00 C ATOM 1326 NH1 ARG A 83 13.591 2.810 -13.018 1.00 0.00 N ATOM 1327 NH2 ARG A 83 13.156 3.848 -15.018 1.00 0.00 N ATOM 0 H ARG A 83 8.411 0.947 -10.554 1.00 0.00 H new ATOM 0 HA ARG A 83 10.937 2.132 -10.188 1.00 0.00 H new ATOM 0 HB2 ARG A 83 8.442 3.297 -11.483 1.00 0.00 H new ATOM 0 HB3 ARG A 83 10.094 3.808 -11.769 1.00 0.00 H new ATOM 0 HG2 ARG A 83 9.089 1.005 -12.374 1.00 0.00 H new ATOM 0 HG3 ARG A 83 9.081 2.306 -13.548 1.00 0.00 H new ATOM 0 HD2 ARG A 83 11.654 1.752 -12.099 1.00 0.00 H new ATOM 0 HD3 ARG A 83 11.141 0.598 -13.315 1.00 0.00 H new ATOM 0 HE ARG A 83 10.944 2.725 -14.836 1.00 0.00 H new ATOM 0 HH11 ARG A 83 13.295 2.202 -12.254 1.00 0.00 H new ATOM 0 HH12 ARG A 83 14.522 3.228 -13.006 1.00 0.00 H new ATOM 0 HH21 ARG A 83 12.524 4.040 -15.796 1.00 0.00 H new ATOM 0 HH22 ARG A 83 14.087 4.264 -15.003 1.00 0.00 H new ATOM 1341 N LEU A 84 8.410 3.639 -8.695 1.00 0.00 N ATOM 1342 CA LEU A 84 8.068 4.625 -7.675 1.00 0.00 C ATOM 1343 C LEU A 84 8.555 4.178 -6.301 1.00 0.00 C ATOM 1344 O LEU A 84 8.597 4.969 -5.357 1.00 0.00 O ATOM 1345 CB LEU A 84 6.556 4.852 -7.644 1.00 0.00 C ATOM 1346 CG LEU A 84 5.842 4.805 -8.995 1.00 0.00 C ATOM 1347 CD1 LEU A 84 4.346 5.017 -8.816 1.00 0.00 C ATOM 1348 CD2 LEU A 84 6.421 5.846 -9.941 1.00 0.00 C ATOM 0 H LEU A 84 7.613 3.118 -9.062 1.00 0.00 H new ATOM 0 HA LEU A 84 8.565 5.562 -7.929 1.00 0.00 H new ATOM 0 HB2 LEU A 84 6.109 4.100 -6.993 1.00 0.00 H new ATOM 0 HB3 LEU A 84 6.364 5.823 -7.188 1.00 0.00 H new ATOM 0 HG LEU A 84 5.998 3.819 -9.433 1.00 0.00 H new ATOM 0 HD11 LEU A 84 3.854 4.980 -9.788 1.00 0.00 H new ATOM 0 HD12 LEU A 84 3.942 4.234 -8.175 1.00 0.00 H new ATOM 0 HD13 LEU A 84 4.169 5.989 -8.356 1.00 0.00 H new ATOM 0 HD21 LEU A 84 5.901 5.798 -10.898 1.00 0.00 H new ATOM 0 HD22 LEU A 84 6.296 6.839 -9.510 1.00 0.00 H new ATOM 0 HD23 LEU A 84 7.482 5.648 -10.095 1.00 0.00 H new ATOM 1360 N HIS A 85 8.926 2.906 -6.194 1.00 0.00 N ATOM 1361 CA HIS A 85 9.413 2.354 -4.935 1.00 0.00 C ATOM 1362 C HIS A 85 10.929 2.491 -4.833 1.00 0.00 C ATOM 1363 O HIS A 85 11.461 2.834 -3.778 1.00 0.00 O ATOM 1364 CB HIS A 85 9.013 0.884 -4.810 1.00 0.00 C ATOM 1365 CG HIS A 85 9.808 0.132 -3.787 1.00 0.00 C ATOM 1366 ND1 HIS A 85 9.405 -0.009 -2.476 1.00 0.00 N ATOM 1367 CD2 HIS A 85 10.987 -0.524 -3.889 1.00 0.00 C ATOM 1368 CE1 HIS A 85 10.303 -0.718 -1.815 1.00 0.00 C ATOM 1369 NE2 HIS A 85 11.274 -1.043 -2.650 1.00 0.00 N ATOM 0 H HIS A 85 8.899 2.238 -6.964 1.00 0.00 H new ATOM 0 HA HIS A 85 8.959 2.917 -4.120 1.00 0.00 H new ATOM 0 HB2 HIS A 85 7.956 0.824 -4.552 1.00 0.00 H new ATOM 0 HB3 HIS A 85 9.133 0.400 -5.779 1.00 0.00 H new ATOM 0 HD2 HIS A 85 11.590 -0.621 -4.779 1.00 0.00 H new ATOM 0 HE1 HIS A 85 10.252 -0.986 -0.770 1.00 0.00 H new ATOM 0 HE2 HIS A 85 12.102 -1.590 -2.413 1.00 0.00 H new ATOM 1377 N MET A 86 11.619 2.220 -5.936 1.00 0.00 N ATOM 1378 CA MET A 86 13.074 2.314 -5.970 1.00 0.00 C ATOM 1379 C MET A 86 13.545 3.652 -5.409 1.00 0.00 C ATOM 1380 O MET A 86 14.615 3.742 -4.807 1.00 0.00 O ATOM 1381 CB MET A 86 13.584 2.140 -7.402 1.00 0.00 C ATOM 1382 CG MET A 86 13.238 0.790 -8.010 1.00 0.00 C ATOM 1383 SD MET A 86 14.586 -0.400 -7.873 1.00 0.00 S ATOM 1384 CE MET A 86 14.804 -0.461 -6.096 1.00 0.00 C ATOM 0 H MET A 86 11.194 1.934 -6.818 1.00 0.00 H new ATOM 0 HA MET A 86 13.480 1.516 -5.348 1.00 0.00 H new ATOM 0 HB2 MET A 86 13.165 2.929 -8.027 1.00 0.00 H new ATOM 0 HB3 MET A 86 14.667 2.267 -7.412 1.00 0.00 H new ATOM 0 HG2 MET A 86 12.353 0.389 -7.515 1.00 0.00 H new ATOM 0 HG3 MET A 86 12.982 0.924 -9.061 1.00 0.00 H new ATOM 0 HE1 MET A 86 15.343 -1.369 -5.827 1.00 0.00 H new ATOM 0 HE2 MET A 86 15.373 0.409 -5.769 1.00 0.00 H new ATOM 0 HE3 MET A 86 13.829 -0.460 -5.610 1.00 0.00 H new ATOM 1394 N VAL A 87 12.740 4.691 -5.611 1.00 0.00 N ATOM 1395 CA VAL A 87 13.075 6.024 -5.125 1.00 0.00 C ATOM 1396 C VAL A 87 13.511 5.982 -3.665 1.00 0.00 C ATOM 1397 O VAL A 87 14.389 6.737 -3.247 1.00 0.00 O ATOM 1398 CB VAL A 87 11.882 6.988 -5.265 1.00 0.00 C ATOM 1399 CG1 VAL A 87 11.334 6.957 -6.684 1.00 0.00 C ATOM 1400 CG2 VAL A 87 10.796 6.643 -4.258 1.00 0.00 C ATOM 0 H VAL A 87 11.851 4.635 -6.108 1.00 0.00 H new ATOM 0 HA VAL A 87 13.900 6.387 -5.738 1.00 0.00 H new ATOM 0 HB VAL A 87 12.229 8.000 -5.057 1.00 0.00 H new ATOM 0 HG11 VAL A 87 10.492 7.644 -6.764 1.00 0.00 H new ATOM 0 HG12 VAL A 87 12.115 7.258 -7.382 1.00 0.00 H new ATOM 0 HG13 VAL A 87 11.002 5.947 -6.924 1.00 0.00 H new ATOM 0 HG21 VAL A 87 9.961 7.335 -4.372 1.00 0.00 H new ATOM 0 HG22 VAL A 87 10.449 5.624 -4.431 1.00 0.00 H new ATOM 0 HG23 VAL A 87 11.198 6.722 -3.248 1.00 0.00 H new ATOM 1410 N SER A 88 12.893 5.095 -2.892 1.00 0.00 N ATOM 1411 CA SER A 88 13.215 4.957 -1.477 1.00 0.00 C ATOM 1412 C SER A 88 14.640 4.444 -1.292 1.00 0.00 C ATOM 1413 O SER A 88 15.296 4.745 -0.294 1.00 0.00 O ATOM 1414 CB SER A 88 12.226 4.007 -0.797 1.00 0.00 C ATOM 1415 OG SER A 88 10.978 4.641 -0.580 1.00 0.00 O ATOM 0 H SER A 88 12.166 4.461 -3.222 1.00 0.00 H new ATOM 0 HA SER A 88 13.139 5.941 -1.015 1.00 0.00 H new ATOM 0 HB2 SER A 88 12.085 3.121 -1.415 1.00 0.00 H new ATOM 0 HB3 SER A 88 12.637 3.670 0.155 1.00 0.00 H new ATOM 0 HG SER A 88 10.363 4.013 -0.146 1.00 0.00 H new ATOM 1421 N HIS A 89 15.113 3.666 -2.261 1.00 0.00 N ATOM 1422 CA HIS A 89 16.460 3.111 -2.206 1.00 0.00 C ATOM 1423 C HIS A 89 17.484 4.115 -2.727 1.00 0.00 C ATOM 1424 O HIS A 89 18.448 4.450 -2.038 1.00 0.00 O ATOM 1425 CB HIS A 89 16.535 1.819 -3.021 1.00 0.00 C ATOM 1426 CG HIS A 89 15.869 0.653 -2.358 1.00 0.00 C ATOM 1427 ND1 HIS A 89 16.179 0.235 -1.081 1.00 0.00 N ATOM 1428 CD2 HIS A 89 14.903 -0.184 -2.802 1.00 0.00 C ATOM 1429 CE1 HIS A 89 15.433 -0.809 -0.769 1.00 0.00 C ATOM 1430 NE2 HIS A 89 14.650 -1.084 -1.796 1.00 0.00 N ATOM 0 H HIS A 89 14.583 3.406 -3.093 1.00 0.00 H new ATOM 0 HA HIS A 89 16.693 2.890 -1.164 1.00 0.00 H new ATOM 0 HB2 HIS A 89 16.073 1.986 -3.994 1.00 0.00 H new ATOM 0 HB3 HIS A 89 17.581 1.574 -3.203 1.00 0.00 H new ATOM 0 HD2 HIS A 89 14.421 -0.151 -3.768 1.00 0.00 H new ATOM 0 HE1 HIS A 89 15.459 -1.347 0.167 1.00 0.00 H new ATOM 0 HE2 HIS A 89 13.968 -1.842 -1.836 1.00 0.00 H new ATOM 1438 N THR A 90 17.268 4.593 -3.949 1.00 0.00 N ATOM 1439 CA THR A 90 18.172 5.557 -4.564 1.00 0.00 C ATOM 1440 C THR A 90 18.152 6.884 -3.814 1.00 0.00 C ATOM 1441 O THR A 90 19.198 7.483 -3.565 1.00 0.00 O ATOM 1442 CB THR A 90 17.807 5.808 -6.039 1.00 0.00 C ATOM 1443 OG1 THR A 90 18.701 6.772 -6.607 1.00 0.00 O ATOM 1444 CG2 THR A 90 16.374 6.302 -6.165 1.00 0.00 C ATOM 0 H THR A 90 16.474 4.328 -4.532 1.00 0.00 H new ATOM 0 HA THR A 90 19.173 5.129 -4.514 1.00 0.00 H new ATOM 0 HB THR A 90 17.898 4.866 -6.579 1.00 0.00 H new ATOM 0 HG1 THR A 90 18.464 6.925 -7.545 1.00 0.00 H new ATOM 0 HG21 THR A 90 16.139 6.472 -7.216 1.00 0.00 H new ATOM 0 HG22 THR A 90 15.694 5.554 -5.758 1.00 0.00 H new ATOM 0 HG23 THR A 90 16.261 7.234 -5.612 1.00 0.00 H new ATOM 1452 N GLY A 91 16.955 7.338 -3.455 1.00 0.00 N ATOM 1453 CA GLY A 91 16.823 8.592 -2.736 1.00 0.00 C ATOM 1454 C GLY A 91 15.666 9.431 -3.242 1.00 0.00 C ATOM 1455 O GLY A 91 14.874 9.946 -2.454 1.00 0.00 O ATOM 0 H GLY A 91 16.075 6.860 -3.649 1.00 0.00 H new ATOM 0 HA2 GLY A 91 16.682 8.386 -1.675 1.00 0.00 H new ATOM 0 HA3 GLY A 91 17.748 9.160 -2.830 1.00 0.00 H new ATOM 1505 N TYR A 95 13.932 13.050 -12.226 1.00 0.00 N ATOM 1506 CA TYR A 95 13.289 14.271 -12.695 1.00 0.00 C ATOM 1507 C TYR A 95 12.430 14.891 -11.596 1.00 0.00 C ATOM 1508 O TYR A 95 11.811 14.183 -10.802 1.00 0.00 O ATOM 1509 CB TYR A 95 12.429 13.980 -13.926 1.00 0.00 C ATOM 1510 CG TYR A 95 13.206 13.388 -15.080 1.00 0.00 C ATOM 1511 CD1 TYR A 95 13.850 14.205 -16.001 1.00 0.00 C ATOM 1512 CD2 TYR A 95 13.294 12.012 -15.251 1.00 0.00 C ATOM 1513 CE1 TYR A 95 14.560 13.669 -17.058 1.00 0.00 C ATOM 1514 CE2 TYR A 95 14.003 11.467 -16.304 1.00 0.00 C ATOM 1515 CZ TYR A 95 14.634 12.299 -17.204 1.00 0.00 C ATOM 1516 OH TYR A 95 15.341 11.760 -18.255 1.00 0.00 O ATOM 0 HA TYR A 95 14.070 14.981 -12.966 1.00 0.00 H new ATOM 0 HB2 TYR A 95 11.630 13.293 -13.647 1.00 0.00 H new ATOM 0 HB3 TYR A 95 11.955 14.905 -14.254 1.00 0.00 H new ATOM 0 HD1 TYR A 95 13.795 15.278 -15.889 1.00 0.00 H new ATOM 0 HD2 TYR A 95 12.800 11.357 -14.549 1.00 0.00 H new ATOM 0 HE1 TYR A 95 15.054 14.318 -17.766 1.00 0.00 H new ATOM 0 HE2 TYR A 95 14.063 10.395 -16.421 1.00 0.00 H new ATOM 0 HH TYR A 95 15.295 10.782 -18.213 1.00 0.00 H new ATOM 1526 N LYS A 96 12.398 16.219 -11.558 1.00 0.00 N ATOM 1527 CA LYS A 96 11.615 16.937 -10.560 1.00 0.00 C ATOM 1528 C LYS A 96 11.144 18.283 -11.103 1.00 0.00 C ATOM 1529 O LYS A 96 11.818 18.901 -11.927 1.00 0.00 O ATOM 1530 CB LYS A 96 12.441 17.149 -9.289 1.00 0.00 C ATOM 1531 CG LYS A 96 12.264 16.047 -8.258 1.00 0.00 C ATOM 1532 CD LYS A 96 13.468 15.948 -7.337 1.00 0.00 C ATOM 1533 CE LYS A 96 14.607 15.180 -7.988 1.00 0.00 C ATOM 1534 NZ LYS A 96 15.938 15.652 -7.514 1.00 0.00 N ATOM 0 H LYS A 96 12.906 16.820 -12.207 1.00 0.00 H new ATOM 0 HA LYS A 96 10.739 16.335 -10.320 1.00 0.00 H new ATOM 0 HB2 LYS A 96 13.495 17.218 -9.558 1.00 0.00 H new ATOM 0 HB3 LYS A 96 12.164 18.103 -8.840 1.00 0.00 H new ATOM 0 HG2 LYS A 96 11.368 16.240 -7.668 1.00 0.00 H new ATOM 0 HG3 LYS A 96 12.113 15.094 -8.765 1.00 0.00 H new ATOM 0 HD2 LYS A 96 13.808 16.949 -7.072 1.00 0.00 H new ATOM 0 HD3 LYS A 96 13.178 15.454 -6.410 1.00 0.00 H new ATOM 0 HE2 LYS A 96 14.500 14.117 -7.770 1.00 0.00 H new ATOM 0 HE3 LYS A 96 14.547 15.291 -9.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 16.688 15.103 -7.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 16.051 16.660 -7.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 16.006 15.523 -6.484 1.00 0.00 H new ATOM 1548 N CYS A 97 9.984 18.731 -10.635 1.00 0.00 N ATOM 1549 CA CYS A 97 9.423 20.004 -11.072 1.00 0.00 C ATOM 1550 C CYS A 97 10.051 21.166 -10.309 1.00 0.00 C ATOM 1551 O CYS A 97 10.982 20.977 -9.526 1.00 0.00 O ATOM 1552 CB CYS A 97 7.906 20.011 -10.875 1.00 0.00 C ATOM 1553 SG CYS A 97 6.998 20.971 -12.129 1.00 0.00 S ATOM 0 H CYS A 97 9.414 18.231 -9.953 1.00 0.00 H new ATOM 0 HA CYS A 97 9.646 20.126 -12.132 1.00 0.00 H new ATOM 0 HB2 CYS A 97 7.544 18.983 -10.888 1.00 0.00 H new ATOM 0 HB3 CYS A 97 7.680 20.416 -9.889 1.00 0.00 H new ATOM 0 HG CYS A 97 7.672 20.980 -13.240 1.00 0.00 H new ATOM 1558 N SER A 98 9.535 22.369 -10.542 1.00 0.00 N ATOM 1559 CA SER A 98 10.047 23.562 -9.880 1.00 0.00 C ATOM 1560 C SER A 98 8.937 24.279 -9.117 1.00 0.00 C ATOM 1561 O SER A 98 9.116 24.675 -7.966 1.00 0.00 O ATOM 1562 CB SER A 98 10.672 24.511 -10.904 1.00 0.00 C ATOM 1563 OG SER A 98 9.777 24.771 -11.972 1.00 0.00 O ATOM 0 H SER A 98 8.762 22.543 -11.185 1.00 0.00 H new ATOM 0 HA SER A 98 10.812 23.252 -9.168 1.00 0.00 H new ATOM 0 HB2 SER A 98 10.944 25.448 -10.418 1.00 0.00 H new ATOM 0 HB3 SER A 98 11.592 24.075 -11.294 1.00 0.00 H new ATOM 0 HG SER A 98 10.200 25.381 -12.612 1.00 0.00 H new ATOM 1569 N SER A 99 7.790 24.441 -9.769 1.00 0.00 N ATOM 1570 CA SER A 99 6.650 25.113 -9.155 1.00 0.00 C ATOM 1571 C SER A 99 6.045 24.255 -8.048 1.00 0.00 C ATOM 1572 O SER A 99 5.793 24.734 -6.942 1.00 0.00 O ATOM 1573 CB SER A 99 5.589 25.430 -10.209 1.00 0.00 C ATOM 1574 OG SER A 99 4.803 26.545 -9.824 1.00 0.00 O ATOM 0 H SER A 99 7.625 24.116 -10.722 1.00 0.00 H new ATOM 0 HA SER A 99 7.003 26.046 -8.715 1.00 0.00 H new ATOM 0 HB2 SER A 99 6.071 25.634 -11.165 1.00 0.00 H new ATOM 0 HB3 SER A 99 4.947 24.562 -10.355 1.00 0.00 H new ATOM 0 HG SER A 99 4.133 26.728 -10.516 1.00 0.00 H new ATOM 1580 N CYS A 100 5.814 22.983 -8.355 1.00 0.00 N ATOM 1581 CA CYS A 100 5.237 22.055 -7.389 1.00 0.00 C ATOM 1582 C CYS A 100 6.311 21.144 -6.803 1.00 0.00 C ATOM 1583 O CYS A 100 6.110 20.521 -5.760 1.00 0.00 O ATOM 1584 CB CYS A 100 4.143 21.214 -8.049 1.00 0.00 C ATOM 1585 SG CYS A 100 4.766 19.997 -9.253 1.00 0.00 S ATOM 0 H CYS A 100 6.018 22.571 -9.266 1.00 0.00 H new ATOM 0 HA CYS A 100 4.798 22.638 -6.579 1.00 0.00 H new ATOM 0 HB2 CYS A 100 3.585 20.689 -7.273 1.00 0.00 H new ATOM 0 HB3 CYS A 100 3.441 21.880 -8.551 1.00 0.00 H new ATOM 0 HG CYS A 100 5.455 20.608 -10.171 1.00 0.00 H new ATOM 1590 N SER A 101 7.452 21.071 -7.480 1.00 0.00 N ATOM 1591 CA SER A 101 8.557 20.233 -7.029 1.00 0.00 C ATOM 1592 C SER A 101 8.185 18.755 -7.104 1.00 0.00 C ATOM 1593 O SER A 101 8.595 17.958 -6.262 1.00 0.00 O ATOM 1594 CB SER A 101 8.950 20.599 -5.596 1.00 0.00 C ATOM 1595 OG SER A 101 9.285 21.972 -5.494 1.00 0.00 O ATOM 0 H SER A 101 7.636 21.582 -8.343 1.00 0.00 H new ATOM 0 HA SER A 101 9.407 20.410 -7.688 1.00 0.00 H new ATOM 0 HB2 SER A 101 8.126 20.371 -4.920 1.00 0.00 H new ATOM 0 HB3 SER A 101 9.798 19.990 -5.281 1.00 0.00 H new ATOM 0 HG SER A 101 9.531 22.181 -4.569 1.00 0.00 H new ATOM 1601 N GLN A 102 7.404 18.399 -8.120 1.00 0.00 N ATOM 1602 CA GLN A 102 6.976 17.018 -8.306 1.00 0.00 C ATOM 1603 C GLN A 102 8.166 16.114 -8.606 1.00 0.00 C ATOM 1604 O GLN A 102 9.315 16.554 -8.572 1.00 0.00 O ATOM 1605 CB GLN A 102 5.952 16.928 -9.439 1.00 0.00 C ATOM 1606 CG GLN A 102 4.511 17.039 -8.968 1.00 0.00 C ATOM 1607 CD GLN A 102 3.894 15.690 -8.653 1.00 0.00 C ATOM 1608 OE1 GLN A 102 4.410 14.936 -7.828 1.00 0.00 O ATOM 1609 NE2 GLN A 102 2.784 15.379 -9.312 1.00 0.00 N ATOM 0 H GLN A 102 7.056 19.048 -8.826 1.00 0.00 H new ATOM 0 HA GLN A 102 6.513 16.680 -7.379 1.00 0.00 H new ATOM 0 HB2 GLN A 102 6.151 17.720 -10.161 1.00 0.00 H new ATOM 0 HB3 GLN A 102 6.083 15.980 -9.961 1.00 0.00 H new ATOM 0 HG2 GLN A 102 4.471 17.669 -8.079 1.00 0.00 H new ATOM 0 HG3 GLN A 102 3.919 17.535 -9.737 1.00 0.00 H new ATOM 0 HE21 GLN A 102 2.391 16.035 -9.987 1.00 0.00 H new ATOM 0 HE22 GLN A 102 2.324 14.484 -9.143 1.00 0.00 H new ATOM 1618 N GLN A 103 7.884 14.850 -8.901 1.00 0.00 N ATOM 1619 CA GLN A 103 8.932 13.884 -9.207 1.00 0.00 C ATOM 1620 C GLN A 103 8.504 12.956 -10.339 1.00 0.00 C ATOM 1621 O GLN A 103 7.350 12.533 -10.406 1.00 0.00 O ATOM 1622 CB GLN A 103 9.279 13.064 -7.963 1.00 0.00 C ATOM 1623 CG GLN A 103 9.677 13.914 -6.766 1.00 0.00 C ATOM 1624 CD GLN A 103 10.088 13.079 -5.569 1.00 0.00 C ATOM 1625 OE1 GLN A 103 9.529 13.218 -4.481 1.00 0.00 O ATOM 1626 NE2 GLN A 103 11.069 12.206 -5.764 1.00 0.00 N ATOM 0 H GLN A 103 6.938 14.470 -8.935 1.00 0.00 H new ATOM 0 HA GLN A 103 9.816 14.435 -9.528 1.00 0.00 H new ATOM 0 HB2 GLN A 103 8.421 12.449 -7.692 1.00 0.00 H new ATOM 0 HB3 GLN A 103 10.096 12.383 -8.203 1.00 0.00 H new ATOM 0 HG2 GLN A 103 10.502 14.569 -7.048 1.00 0.00 H new ATOM 0 HG3 GLN A 103 8.841 14.556 -6.487 1.00 0.00 H new ATOM 0 HE21 GLN A 103 11.504 12.124 -6.683 1.00 0.00 H new ATOM 0 HE22 GLN A 103 11.388 11.617 -4.995 1.00 0.00 H new ATOM 1635 N PHE A 104 9.442 12.642 -11.227 1.00 0.00 N ATOM 1636 CA PHE A 104 9.162 11.764 -12.357 1.00 0.00 C ATOM 1637 C PHE A 104 10.373 10.896 -12.685 1.00 0.00 C ATOM 1638 O PHE A 104 11.506 11.240 -12.349 1.00 0.00 O ATOM 1639 CB PHE A 104 8.763 12.588 -13.583 1.00 0.00 C ATOM 1640 CG PHE A 104 7.745 13.651 -13.286 1.00 0.00 C ATOM 1641 CD1 PHE A 104 8.104 14.801 -12.601 1.00 0.00 C ATOM 1642 CD2 PHE A 104 6.429 13.501 -13.692 1.00 0.00 C ATOM 1643 CE1 PHE A 104 7.168 15.780 -12.325 1.00 0.00 C ATOM 1644 CE2 PHE A 104 5.489 14.478 -13.419 1.00 0.00 C ATOM 1645 CZ PHE A 104 5.859 15.619 -12.736 1.00 0.00 C ATOM 0 H PHE A 104 10.403 12.983 -11.186 1.00 0.00 H new ATOM 0 HA PHE A 104 8.334 11.111 -12.081 1.00 0.00 H new ATOM 0 HB2 PHE A 104 9.654 13.056 -14.002 1.00 0.00 H new ATOM 0 HB3 PHE A 104 8.366 11.919 -14.347 1.00 0.00 H new ATOM 0 HD1 PHE A 104 9.126 14.934 -12.279 1.00 0.00 H new ATOM 0 HD2 PHE A 104 6.134 12.611 -14.228 1.00 0.00 H new ATOM 0 HE1 PHE A 104 7.460 16.671 -11.788 1.00 0.00 H new ATOM 0 HE2 PHE A 104 4.466 14.348 -13.740 1.00 0.00 H new ATOM 0 HZ PHE A 104 5.127 16.384 -12.523 1.00 0.00 H new ATOM 1655 N MET A 105 10.124 9.769 -13.344 1.00 0.00 N ATOM 1656 CA MET A 105 11.194 8.851 -13.718 1.00 0.00 C ATOM 1657 C MET A 105 11.679 9.132 -15.137 1.00 0.00 C ATOM 1658 O MET A 105 12.828 8.848 -15.477 1.00 0.00 O ATOM 1659 CB MET A 105 10.715 7.403 -13.608 1.00 0.00 C ATOM 1660 CG MET A 105 10.795 6.842 -12.197 1.00 0.00 C ATOM 1661 SD MET A 105 12.474 6.857 -11.538 1.00 0.00 S ATOM 1662 CE MET A 105 12.148 6.755 -9.780 1.00 0.00 C ATOM 0 H MET A 105 9.192 9.470 -13.630 1.00 0.00 H new ATOM 0 HA MET A 105 12.026 9.003 -13.031 1.00 0.00 H new ATOM 0 HB2 MET A 105 9.684 7.343 -13.956 1.00 0.00 H new ATOM 0 HB3 MET A 105 11.313 6.780 -14.273 1.00 0.00 H new ATOM 0 HG2 MET A 105 10.146 7.423 -11.542 1.00 0.00 H new ATOM 0 HG3 MET A 105 10.417 5.820 -12.195 1.00 0.00 H new ATOM 0 HE1 MET A 105 12.365 7.716 -9.313 1.00 0.00 H new ATOM 0 HE2 MET A 105 11.100 6.501 -9.618 1.00 0.00 H new ATOM 0 HE3 MET A 105 12.780 5.986 -9.337 1.00 0.00 H new ATOM 1672 N GLN A 106 10.797 9.690 -15.960 1.00 0.00 N ATOM 1673 CA GLN A 106 11.136 10.007 -17.342 1.00 0.00 C ATOM 1674 C GLN A 106 11.065 11.510 -17.589 1.00 0.00 C ATOM 1675 O GLN A 106 10.342 12.230 -16.900 1.00 0.00 O ATOM 1676 CB GLN A 106 10.196 9.275 -18.301 1.00 0.00 C ATOM 1677 CG GLN A 106 10.012 7.803 -17.968 1.00 0.00 C ATOM 1678 CD GLN A 106 9.746 6.956 -19.197 1.00 0.00 C ATOM 1679 OE1 GLN A 106 8.800 7.207 -19.945 1.00 0.00 O ATOM 1680 NE2 GLN A 106 10.581 5.946 -19.413 1.00 0.00 N ATOM 0 H GLN A 106 9.843 9.932 -15.694 1.00 0.00 H new ATOM 0 HA GLN A 106 12.158 9.676 -17.524 1.00 0.00 H new ATOM 0 HB2 GLN A 106 9.223 9.766 -18.288 1.00 0.00 H new ATOM 0 HB3 GLN A 106 10.585 9.364 -19.316 1.00 0.00 H new ATOM 0 HG2 GLN A 106 10.905 7.434 -17.463 1.00 0.00 H new ATOM 0 HG3 GLN A 106 9.183 7.693 -17.269 1.00 0.00 H new ATOM 0 HE21 GLN A 106 11.352 5.774 -18.767 1.00 0.00 H new ATOM 0 HE22 GLN A 106 10.452 5.342 -20.225 1.00 0.00 H new ATOM 1689 N LYS A 107 11.821 11.979 -18.576 1.00 0.00 N ATOM 1690 CA LYS A 107 11.844 13.397 -18.915 1.00 0.00 C ATOM 1691 C LYS A 107 10.501 13.841 -19.486 1.00 0.00 C ATOM 1692 O LYS A 107 9.918 14.828 -19.035 1.00 0.00 O ATOM 1693 CB LYS A 107 12.959 13.683 -19.924 1.00 0.00 C ATOM 1694 CG LYS A 107 13.595 15.052 -19.755 1.00 0.00 C ATOM 1695 CD LYS A 107 12.986 16.070 -20.704 1.00 0.00 C ATOM 1696 CE LYS A 107 13.993 17.142 -21.092 1.00 0.00 C ATOM 1697 NZ LYS A 107 13.630 17.807 -22.374 1.00 0.00 N ATOM 0 H LYS A 107 12.426 11.397 -19.155 1.00 0.00 H new ATOM 0 HA LYS A 107 12.035 13.961 -18.002 1.00 0.00 H new ATOM 0 HB2 LYS A 107 13.730 12.919 -19.827 1.00 0.00 H new ATOM 0 HB3 LYS A 107 12.554 13.601 -20.933 1.00 0.00 H new ATOM 0 HG2 LYS A 107 13.467 15.389 -18.727 1.00 0.00 H new ATOM 0 HG3 LYS A 107 14.668 14.981 -19.936 1.00 0.00 H new ATOM 0 HD2 LYS A 107 12.628 15.564 -21.601 1.00 0.00 H new ATOM 0 HD3 LYS A 107 12.120 16.536 -20.233 1.00 0.00 H new ATOM 0 HE2 LYS A 107 14.052 17.888 -20.300 1.00 0.00 H new ATOM 0 HE3 LYS A 107 14.983 16.695 -21.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 14.486 18.195 -22.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 13.192 17.113 -23.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 12.957 18.578 -22.187 1.00 0.00 H new ATOM 1711 N LYS A 108 10.013 13.106 -20.480 1.00 0.00 N ATOM 1712 CA LYS A 108 8.738 13.422 -21.112 1.00 0.00 C ATOM 1713 C LYS A 108 7.620 13.489 -20.076 1.00 0.00 C ATOM 1714 O LYS A 108 6.746 14.354 -20.147 1.00 0.00 O ATOM 1715 CB LYS A 108 8.399 12.376 -22.176 1.00 0.00 C ATOM 1716 CG LYS A 108 8.325 10.959 -21.635 1.00 0.00 C ATOM 1717 CD LYS A 108 7.746 10.000 -22.661 1.00 0.00 C ATOM 1718 CE LYS A 108 8.808 9.520 -23.638 1.00 0.00 C ATOM 1719 NZ LYS A 108 9.571 8.359 -23.102 1.00 0.00 N ATOM 0 H LYS A 108 10.482 12.286 -20.865 1.00 0.00 H new ATOM 0 HA LYS A 108 8.829 14.399 -21.588 1.00 0.00 H new ATOM 0 HB2 LYS A 108 7.443 12.632 -22.633 1.00 0.00 H new ATOM 0 HB3 LYS A 108 9.150 12.416 -22.965 1.00 0.00 H new ATOM 0 HG2 LYS A 108 9.322 10.626 -21.347 1.00 0.00 H new ATOM 0 HG3 LYS A 108 7.711 10.944 -20.734 1.00 0.00 H new ATOM 0 HD2 LYS A 108 7.305 9.143 -22.151 1.00 0.00 H new ATOM 0 HD3 LYS A 108 6.943 10.493 -23.209 1.00 0.00 H new ATOM 0 HE2 LYS A 108 8.335 9.240 -24.580 1.00 0.00 H new ATOM 0 HE3 LYS A 108 9.496 10.337 -23.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 10.285 8.062 -23.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 10.043 8.633 -22.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 8.919 7.570 -22.917 1.00 0.00 H new ATOM 1733 N ASP A 109 7.654 12.572 -19.115 1.00 0.00 N ATOM 1734 CA ASP A 109 6.645 12.529 -18.063 1.00 0.00 C ATOM 1735 C ASP A 109 6.557 13.869 -17.339 1.00 0.00 C ATOM 1736 O ASP A 109 5.473 14.306 -16.949 1.00 0.00 O ATOM 1737 CB ASP A 109 6.966 11.416 -17.065 1.00 0.00 C ATOM 1738 CG ASP A 109 5.720 10.829 -16.432 1.00 0.00 C ATOM 1739 OD1 ASP A 109 4.722 11.566 -16.292 1.00 0.00 O ATOM 1740 OD2 ASP A 109 5.743 9.631 -16.076 1.00 0.00 O ATOM 0 H ASP A 109 8.369 11.849 -19.043 1.00 0.00 H new ATOM 0 HA ASP A 109 5.680 12.323 -18.527 1.00 0.00 H new ATOM 0 HB2 ASP A 109 7.519 10.626 -17.572 1.00 0.00 H new ATOM 0 HB3 ASP A 109 7.616 11.809 -16.284 1.00 0.00 H new ATOM 1745 N LEU A 110 7.703 14.516 -17.162 1.00 0.00 N ATOM 1746 CA LEU A 110 7.756 15.807 -16.484 1.00 0.00 C ATOM 1747 C LEU A 110 7.369 16.937 -17.432 1.00 0.00 C ATOM 1748 O LEU A 110 6.534 17.778 -17.102 1.00 0.00 O ATOM 1749 CB LEU A 110 9.158 16.053 -15.924 1.00 0.00 C ATOM 1750 CG LEU A 110 9.482 17.497 -15.536 1.00 0.00 C ATOM 1751 CD1 LEU A 110 8.568 17.966 -14.415 1.00 0.00 C ATOM 1752 CD2 LEU A 110 10.942 17.624 -15.126 1.00 0.00 C ATOM 0 H LEU A 110 8.608 14.168 -17.478 1.00 0.00 H new ATOM 0 HA LEU A 110 7.041 15.787 -15.662 1.00 0.00 H new ATOM 0 HB2 LEU A 110 9.292 15.423 -15.045 1.00 0.00 H new ATOM 0 HB3 LEU A 110 9.886 15.725 -16.665 1.00 0.00 H new ATOM 0 HG LEU A 110 9.313 18.134 -16.405 1.00 0.00 H new ATOM 0 HD11 LEU A 110 8.813 18.995 -14.152 1.00 0.00 H new ATOM 0 HD12 LEU A 110 7.531 17.913 -14.745 1.00 0.00 H new ATOM 0 HD13 LEU A 110 8.704 17.327 -13.543 1.00 0.00 H new ATOM 0 HD21 LEU A 110 11.155 18.658 -14.853 1.00 0.00 H new ATOM 0 HD22 LEU A 110 11.138 16.976 -14.272 1.00 0.00 H new ATOM 0 HD23 LEU A 110 11.581 17.330 -15.959 1.00 0.00 H new ATOM 1764 N GLN A 111 7.981 16.948 -18.612 1.00 0.00 N ATOM 1765 CA GLN A 111 7.699 17.974 -19.609 1.00 0.00 C ATOM 1766 C GLN A 111 6.196 18.125 -19.824 1.00 0.00 C ATOM 1767 O GLN A 111 5.657 19.230 -19.753 1.00 0.00 O ATOM 1768 CB GLN A 111 8.383 17.631 -20.933 1.00 0.00 C ATOM 1769 CG GLN A 111 9.898 17.546 -20.831 1.00 0.00 C ATOM 1770 CD GLN A 111 10.591 17.889 -22.134 1.00 0.00 C ATOM 1771 OE1 GLN A 111 10.962 19.040 -22.370 1.00 0.00 O ATOM 1772 NE2 GLN A 111 10.769 16.891 -22.991 1.00 0.00 N ATOM 0 H GLN A 111 8.675 16.258 -18.901 1.00 0.00 H new ATOM 0 HA GLN A 111 8.092 18.921 -19.240 1.00 0.00 H new ATOM 0 HB2 GLN A 111 7.997 16.678 -21.295 1.00 0.00 H new ATOM 0 HB3 GLN A 111 8.119 18.385 -21.675 1.00 0.00 H new ATOM 0 HG2 GLN A 111 10.244 18.224 -20.051 1.00 0.00 H new ATOM 0 HG3 GLN A 111 10.182 16.538 -20.527 1.00 0.00 H new ATOM 0 HE21 GLN A 111 10.446 15.953 -22.755 1.00 0.00 H new ATOM 0 HE22 GLN A 111 11.229 17.063 -23.885 1.00 0.00 H new ATOM 1781 N SER A 112 5.526 17.008 -20.087 1.00 0.00 N ATOM 1782 CA SER A 112 4.086 17.017 -20.316 1.00 0.00 C ATOM 1783 C SER A 112 3.340 17.494 -19.073 1.00 0.00 C ATOM 1784 O SER A 112 2.385 18.266 -19.166 1.00 0.00 O ATOM 1785 CB SER A 112 3.602 15.620 -20.710 1.00 0.00 C ATOM 1786 OG SER A 112 2.428 15.690 -21.500 1.00 0.00 O ATOM 0 H SER A 112 5.957 16.085 -20.147 1.00 0.00 H new ATOM 0 HA SER A 112 3.878 17.710 -21.131 1.00 0.00 H new ATOM 0 HB2 SER A 112 4.386 15.103 -21.263 1.00 0.00 H new ATOM 0 HB3 SER A 112 3.406 15.033 -19.813 1.00 0.00 H new ATOM 0 HG SER A 112 2.141 14.784 -21.740 1.00 0.00 H new ATOM 1792 N HIS A 113 3.784 17.029 -17.910 1.00 0.00 N ATOM 1793 CA HIS A 113 3.160 17.408 -16.647 1.00 0.00 C ATOM 1794 C HIS A 113 3.178 18.922 -16.465 1.00 0.00 C ATOM 1795 O HIS A 113 2.225 19.506 -15.950 1.00 0.00 O ATOM 1796 CB HIS A 113 3.877 16.733 -15.477 1.00 0.00 C ATOM 1797 CG HIS A 113 3.847 17.537 -14.213 1.00 0.00 C ATOM 1798 ND1 HIS A 113 4.739 18.418 -13.703 1.00 0.00 N flip ATOM 1799 CD2 HIS A 113 2.807 17.479 -13.310 1.00 0.00 C flip ATOM 1800 CE1 HIS A 113 4.225 18.874 -12.514 1.00 0.00 C flip ATOM 1801 NE2 HIS A 113 3.059 18.292 -12.299 1.00 0.00 N flip ATOM 0 H HIS A 113 4.573 16.390 -17.816 1.00 0.00 H new ATOM 0 HA HIS A 113 2.122 17.075 -16.668 1.00 0.00 H new ATOM 0 HB2 HIS A 113 3.418 15.762 -15.291 1.00 0.00 H new ATOM 0 HB3 HIS A 113 4.914 16.547 -15.755 1.00 0.00 H new ATOM 0 HD2 HIS A 113 1.924 16.865 -13.413 1.00 0.00 H new ATOM 0 HE1 HIS A 113 4.698 19.592 -11.860 1.00 0.00 H new ATOM 0 HE2 HIS A 113 2.456 18.444 -11.491 1.00 0.00 H new ATOM 1809 N MET A 114 4.268 19.552 -16.892 1.00 0.00 N ATOM 1810 CA MET A 114 4.409 20.999 -16.776 1.00 0.00 C ATOM 1811 C MET A 114 3.663 21.709 -17.901 1.00 0.00 C ATOM 1812 O MET A 114 3.249 22.860 -17.754 1.00 0.00 O ATOM 1813 CB MET A 114 5.887 21.392 -16.800 1.00 0.00 C ATOM 1814 CG MET A 114 6.708 20.735 -15.702 1.00 0.00 C ATOM 1815 SD MET A 114 8.220 21.644 -15.328 1.00 0.00 S ATOM 1816 CE MET A 114 7.549 23.116 -14.561 1.00 0.00 C ATOM 0 H MET A 114 5.066 19.083 -17.321 1.00 0.00 H new ATOM 0 HA MET A 114 3.974 21.307 -15.825 1.00 0.00 H new ATOM 0 HB2 MET A 114 6.310 21.124 -17.768 1.00 0.00 H new ATOM 0 HB3 MET A 114 5.968 22.475 -16.705 1.00 0.00 H new ATOM 0 HG2 MET A 114 6.103 20.656 -14.799 1.00 0.00 H new ATOM 0 HG3 MET A 114 6.964 19.719 -16.003 1.00 0.00 H new ATOM 0 HE1 MET A 114 7.709 23.973 -15.216 1.00 0.00 H new ATOM 0 HE2 MET A 114 6.480 22.983 -14.392 1.00 0.00 H new ATOM 0 HE3 MET A 114 8.048 23.289 -13.608 1.00 0.00 H new ATOM 1826 N ILE A 115 3.496 21.017 -19.023 1.00 0.00 N ATOM 1827 CA ILE A 115 2.800 21.583 -20.172 1.00 0.00 C ATOM 1828 C ILE A 115 1.288 21.502 -19.993 1.00 0.00 C ATOM 1829 O ILE A 115 0.544 22.336 -20.511 1.00 0.00 O ATOM 1830 CB ILE A 115 3.190 20.864 -21.477 1.00 0.00 C ATOM 1831 CG1 ILE A 115 4.674 21.079 -21.780 1.00 0.00 C ATOM 1832 CG2 ILE A 115 2.331 21.357 -22.632 1.00 0.00 C ATOM 1833 CD1 ILE A 115 5.310 19.933 -22.535 1.00 0.00 C ATOM 0 H ILE A 115 3.833 20.064 -19.161 1.00 0.00 H new ATOM 0 HA ILE A 115 3.100 22.629 -20.239 1.00 0.00 H new ATOM 0 HB ILE A 115 3.015 19.795 -21.351 1.00 0.00 H new ATOM 0 HG12 ILE A 115 4.789 21.994 -22.361 1.00 0.00 H new ATOM 0 HG13 ILE A 115 5.210 21.227 -20.843 1.00 0.00 H new ATOM 0 HG21 ILE A 115 2.619 20.839 -23.547 1.00 0.00 H new ATOM 0 HG22 ILE A 115 1.282 21.156 -22.417 1.00 0.00 H new ATOM 0 HG23 ILE A 115 2.476 22.430 -22.761 1.00 0.00 H new ATOM 0 HD11 ILE A 115 6.362 20.155 -22.715 1.00 0.00 H new ATOM 0 HD12 ILE A 115 5.227 19.019 -21.947 1.00 0.00 H new ATOM 0 HD13 ILE A 115 4.800 19.798 -23.489 1.00 0.00 H new ATOM 1845 N LYS A 116 0.838 20.494 -19.254 1.00 0.00 N ATOM 1846 CA LYS A 116 -0.586 20.304 -19.003 1.00 0.00 C ATOM 1847 C LYS A 116 -1.031 21.093 -17.775 1.00 0.00 C ATOM 1848 O LYS A 116 -1.910 21.952 -17.862 1.00 0.00 O ATOM 1849 CB LYS A 116 -0.897 18.819 -18.808 1.00 0.00 C ATOM 1850 CG LYS A 116 -1.232 18.093 -20.099 1.00 0.00 C ATOM 1851 CD LYS A 116 0.020 17.590 -20.797 1.00 0.00 C ATOM 1852 CE LYS A 116 -0.225 17.357 -22.281 1.00 0.00 C ATOM 1853 NZ LYS A 116 -0.970 16.092 -22.529 1.00 0.00 N ATOM 0 H LYS A 116 1.439 19.795 -18.818 1.00 0.00 H new ATOM 0 HA LYS A 116 -1.135 20.673 -19.870 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -0.039 18.335 -18.341 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -1.734 18.719 -18.117 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -1.892 17.253 -19.884 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -1.776 18.764 -20.764 1.00 0.00 H new ATOM 0 HD2 LYS A 116 0.825 18.314 -20.669 1.00 0.00 H new ATOM 0 HD3 LYS A 116 0.349 16.661 -20.331 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -0.787 18.196 -22.692 1.00 0.00 H new ATOM 0 HE3 LYS A 116 0.730 17.325 -22.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -1.117 15.970 -23.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -0.423 15.289 -22.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -1.892 16.132 -22.050 1.00 0.00 H new ATOM 1867 N LEU A 117 -0.419 20.798 -16.634 1.00 0.00 N ATOM 1868 CA LEU A 117 -0.751 21.481 -15.389 1.00 0.00 C ATOM 1869 C LEU A 117 -0.135 22.875 -15.351 1.00 0.00 C ATOM 1870 O LEU A 117 -0.834 23.869 -15.151 1.00 0.00 O ATOM 1871 CB LEU A 117 -0.266 20.663 -14.190 1.00 0.00 C ATOM 1872 CG LEU A 117 -0.439 19.148 -14.297 1.00 0.00 C ATOM 1873 CD1 LEU A 117 -0.275 18.495 -12.933 1.00 0.00 C ATOM 1874 CD2 LEU A 117 -1.796 18.807 -14.894 1.00 0.00 C ATOM 0 H LEU A 117 0.310 20.090 -16.545 1.00 0.00 H new ATOM 0 HA LEU A 117 -1.835 21.582 -15.337 1.00 0.00 H new ATOM 0 HB2 LEU A 117 0.791 20.878 -14.033 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -0.797 21.007 -13.302 1.00 0.00 H new ATOM 0 HG LEU A 117 0.335 18.759 -14.959 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -0.401 17.417 -13.028 1.00 0.00 H new ATOM 0 HD12 LEU A 117 0.720 18.711 -12.544 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -1.026 18.889 -12.248 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -1.902 17.724 -14.963 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -2.585 19.209 -14.258 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -1.875 19.243 -15.890 1.00 0.00 H new ATOM 1886 N HIS A 118 1.178 22.942 -15.547 1.00 0.00 N ATOM 1887 CA HIS A 118 1.889 24.215 -15.538 1.00 0.00 C ATOM 1888 C HIS A 118 1.897 24.843 -16.929 1.00 0.00 C ATOM 1889 O HIS A 118 2.853 25.517 -17.311 1.00 0.00 O ATOM 1890 CB HIS A 118 3.324 24.020 -15.046 1.00 0.00 C ATOM 1891 CG HIS A 118 3.410 23.459 -13.660 1.00 0.00 C ATOM 1892 ND1 HIS A 118 2.906 24.109 -12.553 1.00 0.00 N ATOM 1893 CD2 HIS A 118 3.946 22.303 -13.204 1.00 0.00 C ATOM 1894 CE1 HIS A 118 3.129 23.377 -11.476 1.00 0.00 C ATOM 1895 NE2 HIS A 118 3.758 22.275 -11.844 1.00 0.00 N ATOM 0 H HIS A 118 1.771 22.129 -15.714 1.00 0.00 H new ATOM 0 HA HIS A 118 1.368 24.888 -14.857 1.00 0.00 H new ATOM 0 HB2 HIS A 118 3.847 23.354 -15.732 1.00 0.00 H new ATOM 0 HB3 HIS A 118 3.843 24.978 -15.074 1.00 0.00 H new ATOM 0 HD2 HIS A 118 4.431 21.544 -13.799 1.00 0.00 H new ATOM 0 HE1 HIS A 118 2.845 23.635 -10.466 1.00 0.00 H new ATOM 0 HE2 HIS A 118 4.056 21.525 -11.220 1.00 0.00 H new