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 31:sc= 0.513 USER MOD Set 1.2: A 100 CYS SG : rot -53:sc= -4.49! USER MOD Set 1.3: A 113 HIS :FLIP no HD1:sc= -2.83 F(o=-9.2!,f=-7.7) USER MOD Set 1.4: A 114 MET CE :methyl -114:sc= -0.742 (180deg=-0.44) USER MOD Set 1.5: A 118 HIS : no HD1:sc= -0.158 K(o=-7.7,f=-9.7) USER MOD Set 2.1: A 112 SER OG : rot 180:sc= 0.583 USER MOD Set 2.2: A 116 LYS NZ :NH3+ 176:sc= 0.636 (180deg=0) USER MOD Set 3.1: A 21 TYR OH : rot 180:sc= 0.471 USER MOD Set 3.2: A 75 THR OG1 : rot 180:sc= 0.531 USER MOD Set 4.1: A 69 CYS SG : rot -129:sc= -1.01 USER MOD Set 4.2: A 72 CYS SG : rot -36:sc= -1.55! USER MOD Set 4.3: A 85 HIS : no HD1:sc= -2.26 X(o=-13,f=-14) USER MOD Set 4.4: A 86 MET CE :methyl 156:sc= -3.51 (180deg=-2.37) USER MOD Set 4.5: A 89 HIS : no HD1:sc= -5.05! C(o=-13!,f=-15!) USER MOD Set 5.1: A 38 CYS SG : rot 131:sc= -0.714 USER MOD Set 5.2: A 41 CYS SG : rot -67:sc= -2.27 USER MOD Set 5.3: A 54 HIS :FLIP no HD1:sc= -0.632 F(o=-6.1!,f=-3.6) USER MOD Set 6.1: A 10 CYS SG : rot 163:sc= 0.069 USER MOD Set 6.2: A 12 THR OG1 : rot 91:sc= 0.196 USER MOD Set 6.3: A 13 CYS SG : rot -37:sc= -2 USER MOD Set 6.4: A 26 HIS : no HE2:sc= -0.801 X(o=-2.5,f=-2.7) USER MOD Single : A 14 HIS : no HD1:sc= 0 X(o=0,f=-0.035) 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= -0.103 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot -176:sc= 0.117 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0) 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= 0.0218 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -0.0812 K(o=-0.081,f=-2.1!) USER MOD Single : A 58 ASN : amide:sc=-0.00206 X(o=-0.0021,f=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot -41:sc= 0.359 USER MOD Single : A 73 GLN : amide:sc= -0.247 X(o=-0.25,f=-0.1) USER MOD Single : A 80 MET CE :methyl -146:sc= -0.854 (180deg=-4.31!) 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= -0.325 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot 180:sc= 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 K(o=0,f=-0.62) USER MOD Single : A 103 GLN : amide:sc= -0.0444 X(o=-0.044,f=0) USER MOD Single : A 105 MET CE :methyl -173:sc= -1.89! (180deg=-1.95!) USER MOD Single : A 106 GLN : amide:sc= -0.0713 X(o=-0.071,f=-0.33) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 GLN : amide:sc= -1.49 X(o=-1.5,f=-2!) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 8.122 7.784 12.681 1.00 0.00 N ATOM 60 CA GLY A 7 7.183 6.885 12.034 1.00 0.00 C ATOM 61 C GLY A 7 5.807 6.930 12.668 1.00 0.00 C ATOM 62 O GLY A 7 5.496 7.845 13.431 1.00 0.00 O ATOM 0 HA2 GLY A 7 7.102 7.147 10.979 1.00 0.00 H new ATOM 0 HA3 GLY A 7 7.568 5.866 12.081 1.00 0.00 H new ATOM 66 N VAL A 8 4.978 5.941 12.350 1.00 0.00 N ATOM 67 CA VAL A 8 3.627 5.871 12.892 1.00 0.00 C ATOM 68 C VAL A 8 3.604 5.111 14.213 1.00 0.00 C ATOM 69 O VAL A 8 4.607 4.528 14.623 1.00 0.00 O ATOM 70 CB VAL A 8 2.660 5.192 11.905 1.00 0.00 C ATOM 71 CG1 VAL A 8 2.408 6.088 10.702 1.00 0.00 C ATOM 72 CG2 VAL A 8 3.206 3.841 11.468 1.00 0.00 C ATOM 0 H VAL A 8 5.219 5.177 11.719 1.00 0.00 H new ATOM 0 HA VAL A 8 3.300 6.897 13.060 1.00 0.00 H new ATOM 0 HB VAL A 8 1.709 5.028 12.411 1.00 0.00 H new ATOM 0 HG11 VAL A 8 1.722 5.591 10.016 1.00 0.00 H new ATOM 0 HG12 VAL A 8 1.970 7.029 11.035 1.00 0.00 H new ATOM 0 HG13 VAL A 8 3.351 6.287 10.192 1.00 0.00 H new ATOM 0 HG21 VAL A 8 2.510 3.375 10.771 1.00 0.00 H new ATOM 0 HG22 VAL A 8 4.171 3.979 10.980 1.00 0.00 H new ATOM 0 HG23 VAL A 8 3.330 3.199 12.340 1.00 0.00 H new ATOM 82 N GLU A 9 2.451 5.121 14.876 1.00 0.00 N ATOM 83 CA GLU A 9 2.298 4.431 16.152 1.00 0.00 C ATOM 84 C GLU A 9 0.903 3.824 16.278 1.00 0.00 C ATOM 85 O GLU A 9 -0.082 4.401 15.815 1.00 0.00 O ATOM 86 CB GLU A 9 2.553 5.396 17.312 1.00 0.00 C ATOM 87 CG GLU A 9 2.391 4.758 18.681 1.00 0.00 C ATOM 88 CD GLU A 9 3.259 5.415 19.737 1.00 0.00 C ATOM 89 OE1 GLU A 9 3.093 6.631 19.967 1.00 0.00 O ATOM 90 OE2 GLU A 9 4.103 4.713 20.333 1.00 0.00 O ATOM 0 H GLU A 9 1.610 5.599 14.551 1.00 0.00 H new ATOM 0 HA GLU A 9 3.031 3.625 16.191 1.00 0.00 H new ATOM 0 HB2 GLU A 9 3.563 5.797 17.225 1.00 0.00 H new ATOM 0 HB3 GLU A 9 1.867 6.239 17.230 1.00 0.00 H new ATOM 0 HG2 GLU A 9 1.346 4.820 18.985 1.00 0.00 H new ATOM 0 HG3 GLU A 9 2.642 3.699 18.616 1.00 0.00 H new ATOM 97 N CYS A 10 0.828 2.656 16.907 1.00 0.00 N ATOM 98 CA CYS A 10 -0.444 1.969 17.094 1.00 0.00 C ATOM 99 C CYS A 10 -1.069 2.337 18.437 1.00 0.00 C ATOM 100 O CYS A 10 -0.564 1.985 19.503 1.00 0.00 O ATOM 101 CB CYS A 10 -0.246 0.454 17.010 1.00 0.00 C ATOM 102 SG CYS A 10 -1.740 -0.514 17.395 1.00 0.00 S ATOM 0 H CYS A 10 1.633 2.165 17.296 1.00 0.00 H new ATOM 0 HA CYS A 10 -1.120 2.286 16.299 1.00 0.00 H new ATOM 0 HB2 CYS A 10 0.091 0.198 16.006 1.00 0.00 H new ATOM 0 HB3 CYS A 10 0.549 0.164 17.697 1.00 0.00 H new ATOM 0 HG CYS A 10 -1.596 -1.728 16.954 1.00 0.00 H new ATOM 107 N PRO A 11 -2.195 3.064 18.385 1.00 0.00 N ATOM 108 CA PRO A 11 -2.914 3.495 19.587 1.00 0.00 C ATOM 109 C PRO A 11 -3.582 2.332 20.313 1.00 0.00 C ATOM 110 O PRO A 11 -4.329 2.530 21.271 1.00 0.00 O ATOM 111 CB PRO A 11 -3.969 4.461 19.042 1.00 0.00 C ATOM 112 CG PRO A 11 -4.182 4.032 17.631 1.00 0.00 C ATOM 113 CD PRO A 11 -2.854 3.519 17.149 1.00 0.00 C ATOM 0 HA PRO A 11 -2.245 3.942 20.323 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -4.893 4.404 19.617 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -3.625 5.494 19.094 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -4.945 3.256 17.570 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -4.524 4.865 17.017 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -2.973 2.705 16.434 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -2.279 4.299 16.651 1.00 0.00 H new ATOM 121 N THR A 12 -3.307 1.116 19.850 1.00 0.00 N ATOM 122 CA THR A 12 -3.882 -0.079 20.454 1.00 0.00 C ATOM 123 C THR A 12 -2.884 -0.757 21.387 1.00 0.00 C ATOM 124 O THR A 12 -3.149 -0.928 22.577 1.00 0.00 O ATOM 125 CB THR A 12 -4.333 -1.089 19.382 1.00 0.00 C ATOM 126 OG1 THR A 12 -4.958 -0.401 18.293 1.00 0.00 O ATOM 127 CG2 THR A 12 -5.301 -2.105 19.969 1.00 0.00 C ATOM 0 H THR A 12 -2.690 0.934 19.059 1.00 0.00 H new ATOM 0 HA THR A 12 -4.751 0.243 21.027 1.00 0.00 H new ATOM 0 HB THR A 12 -3.452 -1.618 19.019 1.00 0.00 H new ATOM 0 HG1 THR A 12 -4.285 -0.183 17.615 1.00 0.00 H new ATOM 0 HG21 THR A 12 -5.606 -2.808 19.193 1.00 0.00 H new ATOM 0 HG22 THR A 12 -4.813 -2.647 20.779 1.00 0.00 H new ATOM 0 HG23 THR A 12 -6.180 -1.589 20.356 1.00 0.00 H new ATOM 135 N CYS A 13 -1.736 -1.141 20.840 1.00 0.00 N ATOM 136 CA CYS A 13 -0.698 -1.801 21.623 1.00 0.00 C ATOM 137 C CYS A 13 0.562 -0.942 21.688 1.00 0.00 C ATOM 138 O CYS A 13 1.621 -1.406 22.112 1.00 0.00 O ATOM 139 CB CYS A 13 -0.366 -3.167 21.020 1.00 0.00 C ATOM 140 SG CYS A 13 0.198 -3.100 19.289 1.00 0.00 S ATOM 0 H CYS A 13 -1.501 -1.006 19.857 1.00 0.00 H new ATOM 0 HA CYS A 13 -1.075 -1.941 22.636 1.00 0.00 H new ATOM 0 HB2 CYS A 13 0.407 -3.641 21.625 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -1.250 -3.802 21.078 1.00 0.00 H new ATOM 0 HG CYS A 13 -0.469 -2.185 18.650 1.00 0.00 H new ATOM 145 N HIS A 14 0.439 0.313 21.266 1.00 0.00 N ATOM 146 CA HIS A 14 1.567 1.237 21.278 1.00 0.00 C ATOM 147 C HIS A 14 2.714 0.705 20.423 1.00 0.00 C ATOM 148 O HIS A 14 3.879 1.020 20.664 1.00 0.00 O ATOM 149 CB HIS A 14 2.048 1.470 22.710 1.00 0.00 C ATOM 150 CG HIS A 14 1.015 2.099 23.594 1.00 0.00 C ATOM 151 ND1 HIS A 14 0.337 3.251 23.257 1.00 0.00 N ATOM 152 CD2 HIS A 14 0.544 1.728 24.808 1.00 0.00 C ATOM 153 CE1 HIS A 14 -0.505 3.563 24.227 1.00 0.00 C ATOM 154 NE2 HIS A 14 -0.399 2.654 25.179 1.00 0.00 N ATOM 0 H HIS A 14 -0.430 0.713 20.912 1.00 0.00 H new ATOM 0 HA HIS A 14 1.233 2.185 20.857 1.00 0.00 H new ATOM 0 HB2 HIS A 14 2.352 0.517 23.142 1.00 0.00 H new ATOM 0 HB3 HIS A 14 2.932 2.107 22.688 1.00 0.00 H new ATOM 0 HD2 HIS A 14 0.853 0.864 25.378 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -1.167 4.416 24.239 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -0.931 2.642 26.049 1.00 0.00 H new ATOM 162 N LYS A 15 2.376 -0.103 19.424 1.00 0.00 N ATOM 163 CA LYS A 15 3.376 -0.679 18.533 1.00 0.00 C ATOM 164 C LYS A 15 3.653 0.249 17.355 1.00 0.00 C ATOM 165 O LYS A 15 2.801 0.438 16.486 1.00 0.00 O ATOM 166 CB LYS A 15 2.908 -2.044 18.023 1.00 0.00 C ATOM 167 CG LYS A 15 3.913 -2.730 17.114 1.00 0.00 C ATOM 168 CD LYS A 15 3.639 -4.220 17.003 1.00 0.00 C ATOM 169 CE LYS A 15 4.771 -4.944 16.291 1.00 0.00 C ATOM 170 NZ LYS A 15 4.645 -6.423 16.409 1.00 0.00 N ATOM 0 H LYS A 15 1.416 -0.374 19.211 1.00 0.00 H new ATOM 0 HA LYS A 15 4.300 -0.806 19.097 1.00 0.00 H new ATOM 0 HB2 LYS A 15 2.702 -2.690 18.876 1.00 0.00 H new ATOM 0 HB3 LYS A 15 1.969 -1.919 17.484 1.00 0.00 H new ATOM 0 HG2 LYS A 15 3.876 -2.278 16.123 1.00 0.00 H new ATOM 0 HG3 LYS A 15 4.920 -2.572 17.499 1.00 0.00 H new ATOM 0 HD2 LYS A 15 3.506 -4.642 17.999 1.00 0.00 H new ATOM 0 HD3 LYS A 15 2.706 -4.380 16.462 1.00 0.00 H new ATOM 0 HE2 LYS A 15 4.776 -4.663 15.238 1.00 0.00 H new ATOM 0 HE3 LYS A 15 5.726 -4.626 16.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 5.435 -6.880 15.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 4.666 -6.694 17.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 3.746 -6.730 15.986 1.00 0.00 H new ATOM 184 N LYS A 16 4.850 0.824 17.330 1.00 0.00 N ATOM 185 CA LYS A 16 5.242 1.730 16.257 1.00 0.00 C ATOM 186 C LYS A 16 5.916 0.968 15.120 1.00 0.00 C ATOM 187 O LYS A 16 6.436 -0.130 15.318 1.00 0.00 O ATOM 188 CB LYS A 16 6.187 2.809 16.792 1.00 0.00 C ATOM 189 CG LYS A 16 5.534 3.746 17.793 1.00 0.00 C ATOM 190 CD LYS A 16 6.255 5.083 17.858 1.00 0.00 C ATOM 191 CE LYS A 16 7.321 5.089 18.943 1.00 0.00 C ATOM 192 NZ LYS A 16 7.785 6.469 19.256 1.00 0.00 N ATOM 0 H LYS A 16 5.566 0.679 18.041 1.00 0.00 H new ATOM 0 HA LYS A 16 4.341 2.204 15.869 1.00 0.00 H new ATOM 0 HB2 LYS A 16 7.045 2.328 17.263 1.00 0.00 H new ATOM 0 HB3 LYS A 16 6.569 3.394 15.955 1.00 0.00 H new ATOM 0 HG2 LYS A 16 4.492 3.907 17.516 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.534 3.283 18.780 1.00 0.00 H new ATOM 0 HD2 LYS A 16 6.715 5.297 16.893 1.00 0.00 H new ATOM 0 HD3 LYS A 16 5.534 5.877 18.050 1.00 0.00 H new ATOM 0 HE2 LYS A 16 6.923 4.626 19.846 1.00 0.00 H new ATOM 0 HE3 LYS A 16 8.169 4.484 18.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 8.511 6.431 20.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 8.188 6.902 18.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 6.980 7.039 19.586 1.00 0.00 H new ATOM 206 N PHE A 17 5.904 1.558 13.929 1.00 0.00 N ATOM 207 CA PHE A 17 6.514 0.935 12.761 1.00 0.00 C ATOM 208 C PHE A 17 7.333 1.950 11.968 1.00 0.00 C ATOM 209 O PHE A 17 7.468 3.106 12.371 1.00 0.00 O ATOM 210 CB PHE A 17 5.438 0.319 11.864 1.00 0.00 C ATOM 211 CG PHE A 17 4.624 -0.743 12.547 1.00 0.00 C ATOM 212 CD1 PHE A 17 3.671 -0.403 13.493 1.00 0.00 C ATOM 213 CD2 PHE A 17 4.814 -2.081 12.242 1.00 0.00 C ATOM 214 CE1 PHE A 17 2.921 -1.378 14.123 1.00 0.00 C ATOM 215 CE2 PHE A 17 4.066 -3.061 12.868 1.00 0.00 C ATOM 216 CZ PHE A 17 3.119 -2.709 13.811 1.00 0.00 C ATOM 0 H PHE A 17 5.478 2.467 13.748 1.00 0.00 H new ATOM 0 HA PHE A 17 7.182 0.147 13.109 1.00 0.00 H new ATOM 0 HB2 PHE A 17 4.772 1.108 11.515 1.00 0.00 H new ATOM 0 HB3 PHE A 17 5.913 -0.110 10.982 1.00 0.00 H new ATOM 0 HD1 PHE A 17 3.512 0.636 13.741 1.00 0.00 H new ATOM 0 HD2 PHE A 17 5.554 -2.362 11.507 1.00 0.00 H new ATOM 0 HE1 PHE A 17 2.181 -1.100 14.859 1.00 0.00 H new ATOM 0 HE2 PHE A 17 4.222 -4.101 12.620 1.00 0.00 H new ATOM 0 HZ PHE A 17 2.535 -3.473 14.303 1.00 0.00 H new ATOM 226 N LEU A 18 7.878 1.509 10.840 1.00 0.00 N ATOM 227 CA LEU A 18 8.684 2.378 9.989 1.00 0.00 C ATOM 228 C LEU A 18 7.803 3.176 9.034 1.00 0.00 C ATOM 229 O LEU A 18 8.046 4.357 8.789 1.00 0.00 O ATOM 230 CB LEU A 18 9.697 1.550 9.196 1.00 0.00 C ATOM 231 CG LEU A 18 9.134 0.347 8.438 1.00 0.00 C ATOM 232 CD1 LEU A 18 9.948 0.080 7.181 1.00 0.00 C ATOM 233 CD2 LEU A 18 9.111 -0.884 9.332 1.00 0.00 C ATOM 0 H LEU A 18 7.777 0.555 10.493 1.00 0.00 H new ATOM 0 HA LEU A 18 9.219 3.079 10.630 1.00 0.00 H new ATOM 0 HB2 LEU A 18 10.191 2.206 8.480 1.00 0.00 H new ATOM 0 HB3 LEU A 18 10.464 1.194 9.884 1.00 0.00 H new ATOM 0 HG LEU A 18 8.110 0.575 8.142 1.00 0.00 H new ATOM 0 HD11 LEU A 18 9.533 -0.779 6.654 1.00 0.00 H new ATOM 0 HD12 LEU A 18 9.913 0.955 6.532 1.00 0.00 H new ATOM 0 HD13 LEU A 18 10.983 -0.127 7.455 1.00 0.00 H new ATOM 0 HD21 LEU A 18 8.707 -1.730 8.776 1.00 0.00 H new ATOM 0 HD22 LEU A 18 10.125 -1.115 9.659 1.00 0.00 H new ATOM 0 HD23 LEU A 18 8.484 -0.690 10.202 1.00 0.00 H new ATOM 245 N SER A 19 6.776 2.522 8.499 1.00 0.00 N ATOM 246 CA SER A 19 5.859 3.170 7.569 1.00 0.00 C ATOM 247 C SER A 19 4.411 2.834 7.912 1.00 0.00 C ATOM 248 O SER A 19 4.142 1.985 8.762 1.00 0.00 O ATOM 249 CB SER A 19 6.168 2.742 6.133 1.00 0.00 C ATOM 250 OG SER A 19 5.437 3.520 5.201 1.00 0.00 O ATOM 0 H SER A 19 6.559 1.545 8.694 1.00 0.00 H new ATOM 0 HA SER A 19 5.994 4.248 7.656 1.00 0.00 H new ATOM 0 HB2 SER A 19 7.236 2.847 5.941 1.00 0.00 H new ATOM 0 HB3 SER A 19 5.923 1.688 6.003 1.00 0.00 H new ATOM 0 HG SER A 19 5.653 3.228 4.291 1.00 0.00 H new ATOM 256 N LYS A 20 3.480 3.507 7.244 1.00 0.00 N ATOM 257 CA LYS A 20 2.058 3.281 7.475 1.00 0.00 C ATOM 258 C LYS A 20 1.645 1.890 7.005 1.00 0.00 C ATOM 259 O LYS A 20 1.054 1.119 7.761 1.00 0.00 O ATOM 260 CB LYS A 20 1.228 4.343 6.750 1.00 0.00 C ATOM 261 CG LYS A 20 0.994 5.599 7.573 1.00 0.00 C ATOM 262 CD LYS A 20 -0.196 5.442 8.505 1.00 0.00 C ATOM 263 CE LYS A 20 -0.499 6.736 9.244 1.00 0.00 C ATOM 264 NZ LYS A 20 -1.158 6.484 10.556 1.00 0.00 N ATOM 0 H LYS A 20 3.685 4.214 6.538 1.00 0.00 H new ATOM 0 HA LYS A 20 1.873 3.353 8.547 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.732 4.615 5.823 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.264 3.914 6.475 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.887 5.824 8.156 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.826 6.445 6.907 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -1.071 5.136 7.931 1.00 0.00 H new ATOM 0 HD3 LYS A 20 0.007 4.649 9.225 1.00 0.00 H new ATOM 0 HE2 LYS A 20 0.427 7.289 9.403 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -1.143 7.364 8.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -1.348 7.391 11.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -2.054 5.979 10.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -0.533 5.907 11.153 1.00 0.00 H new ATOM 278 N TYR A 21 1.961 1.575 5.754 1.00 0.00 N ATOM 279 CA TYR A 21 1.621 0.277 5.183 1.00 0.00 C ATOM 280 C TYR A 21 1.780 -0.831 6.219 1.00 0.00 C ATOM 281 O TYR A 21 0.862 -1.619 6.448 1.00 0.00 O ATOM 282 CB TYR A 21 2.502 -0.015 3.967 1.00 0.00 C ATOM 283 CG TYR A 21 2.296 -1.397 3.388 1.00 0.00 C ATOM 284 CD1 TYR A 21 1.286 -1.641 2.466 1.00 0.00 C ATOM 285 CD2 TYR A 21 3.112 -2.457 3.763 1.00 0.00 C ATOM 286 CE1 TYR A 21 1.094 -2.902 1.935 1.00 0.00 C ATOM 287 CE2 TYR A 21 2.928 -3.721 3.236 1.00 0.00 C ATOM 288 CZ TYR A 21 1.917 -3.938 2.323 1.00 0.00 C ATOM 289 OH TYR A 21 1.730 -5.195 1.796 1.00 0.00 O ATOM 0 H TYR A 21 2.452 2.201 5.116 1.00 0.00 H new ATOM 0 HA TYR A 21 0.578 0.308 4.868 1.00 0.00 H new ATOM 0 HB2 TYR A 21 2.299 0.727 3.195 1.00 0.00 H new ATOM 0 HB3 TYR A 21 3.548 0.099 4.251 1.00 0.00 H new ATOM 0 HD1 TYR A 21 0.640 -0.832 2.159 1.00 0.00 H new ATOM 0 HD2 TYR A 21 3.904 -2.290 4.479 1.00 0.00 H new ATOM 0 HE1 TYR A 21 0.303 -3.075 1.220 1.00 0.00 H new ATOM 0 HE2 TYR A 21 3.572 -4.534 3.537 1.00 0.00 H new ATOM 0 HH TYR A 21 2.394 -5.810 2.172 1.00 0.00 H new ATOM 299 N TYR A 22 2.952 -0.885 6.843 1.00 0.00 N ATOM 300 CA TYR A 22 3.234 -1.898 7.853 1.00 0.00 C ATOM 301 C TYR A 22 2.219 -1.829 8.991 1.00 0.00 C ATOM 302 O TYR A 22 1.802 -2.856 9.529 1.00 0.00 O ATOM 303 CB TYR A 22 4.649 -1.717 8.406 1.00 0.00 C ATOM 304 CG TYR A 22 5.710 -2.425 7.595 1.00 0.00 C ATOM 305 CD1 TYR A 22 5.584 -3.771 7.273 1.00 0.00 C ATOM 306 CD2 TYR A 22 6.840 -1.749 7.151 1.00 0.00 C ATOM 307 CE1 TYR A 22 6.552 -4.422 6.533 1.00 0.00 C ATOM 308 CE2 TYR A 22 7.812 -2.391 6.409 1.00 0.00 C ATOM 309 CZ TYR A 22 7.663 -3.728 6.103 1.00 0.00 C ATOM 310 OH TYR A 22 8.630 -4.372 5.365 1.00 0.00 O ATOM 0 H TYR A 22 3.722 -0.239 6.667 1.00 0.00 H new ATOM 0 HA TYR A 22 3.158 -2.877 7.380 1.00 0.00 H new ATOM 0 HB2 TYR A 22 4.882 -0.653 8.444 1.00 0.00 H new ATOM 0 HB3 TYR A 22 4.680 -2.087 9.431 1.00 0.00 H new ATOM 0 HD1 TYR A 22 4.714 -4.317 7.607 1.00 0.00 H new ATOM 0 HD2 TYR A 22 6.960 -0.703 7.390 1.00 0.00 H new ATOM 0 HE1 TYR A 22 6.439 -5.469 6.293 1.00 0.00 H new ATOM 0 HE2 TYR A 22 8.683 -1.850 6.070 1.00 0.00 H new ATOM 0 HH TYR A 22 9.375 -3.758 5.195 1.00 0.00 H new ATOM 320 N LEU A 23 1.826 -0.613 9.352 1.00 0.00 N ATOM 321 CA LEU A 23 0.860 -0.408 10.425 1.00 0.00 C ATOM 322 C LEU A 23 -0.515 -0.936 10.028 1.00 0.00 C ATOM 323 O LEU A 23 -1.027 -1.881 10.630 1.00 0.00 O ATOM 324 CB LEU A 23 0.765 1.078 10.776 1.00 0.00 C ATOM 325 CG LEU A 23 -0.425 1.488 11.644 1.00 0.00 C ATOM 326 CD1 LEU A 23 -0.174 1.130 13.100 1.00 0.00 C ATOM 327 CD2 LEU A 23 -0.702 2.978 11.499 1.00 0.00 C ATOM 0 H LEU A 23 2.162 0.246 8.917 1.00 0.00 H new ATOM 0 HA LEU A 23 1.203 -0.961 11.299 1.00 0.00 H new ATOM 0 HB2 LEU A 23 1.681 1.369 11.290 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.726 1.648 9.848 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.304 0.940 11.304 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.032 1.430 13.702 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.026 0.054 13.190 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.716 1.649 13.454 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.552 3.253 12.124 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.176 3.543 11.812 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.928 3.206 10.457 1.00 0.00 H new ATOM 339 N LYS A 24 -1.108 -0.322 9.009 1.00 0.00 N ATOM 340 CA LYS A 24 -2.422 -0.732 8.528 1.00 0.00 C ATOM 341 C LYS A 24 -2.522 -2.252 8.448 1.00 0.00 C ATOM 342 O LYS A 24 -3.557 -2.834 8.775 1.00 0.00 O ATOM 343 CB LYS A 24 -2.698 -0.119 7.153 1.00 0.00 C ATOM 344 CG LYS A 24 -1.747 -0.600 6.070 1.00 0.00 C ATOM 345 CD LYS A 24 -2.230 -0.200 4.686 1.00 0.00 C ATOM 346 CE LYS A 24 -1.734 -1.166 3.622 1.00 0.00 C ATOM 347 NZ LYS A 24 -2.623 -2.355 3.495 1.00 0.00 N ATOM 0 H LYS A 24 -0.699 0.462 8.500 1.00 0.00 H new ATOM 0 HA LYS A 24 -3.169 -0.373 9.236 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -3.720 -0.355 6.858 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -2.630 0.966 7.228 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -0.755 -0.184 6.245 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.652 -1.684 6.124 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -3.320 -0.172 4.674 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -1.882 0.807 4.455 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -1.676 -0.652 2.663 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -0.724 -1.492 3.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -2.251 -2.990 2.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -2.658 -2.861 4.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -3.581 -2.046 3.233 1.00 0.00 H new ATOM 361 N VAL A 25 -1.440 -2.890 8.012 1.00 0.00 N ATOM 362 CA VAL A 25 -1.406 -4.343 7.892 1.00 0.00 C ATOM 363 C VAL A 25 -1.426 -5.008 9.264 1.00 0.00 C ATOM 364 O VAL A 25 -1.950 -6.111 9.423 1.00 0.00 O ATOM 365 CB VAL A 25 -0.157 -4.813 7.123 1.00 0.00 C ATOM 366 CG1 VAL A 25 -0.093 -6.332 7.087 1.00 0.00 C ATOM 367 CG2 VAL A 25 -0.151 -4.238 5.715 1.00 0.00 C ATOM 0 H VAL A 25 -0.576 -2.424 7.736 1.00 0.00 H new ATOM 0 HA VAL A 25 -2.297 -4.636 7.337 1.00 0.00 H new ATOM 0 HB VAL A 25 0.728 -4.448 7.644 1.00 0.00 H new ATOM 0 HG11 VAL A 25 0.796 -6.646 6.540 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -0.048 -6.718 8.105 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -0.981 -6.722 6.590 1.00 0.00 H new ATOM 0 HG21 VAL A 25 0.738 -4.580 5.186 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.041 -4.572 5.182 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -0.146 -3.149 5.767 1.00 0.00 H new ATOM 377 N HIS A 26 -0.852 -4.330 10.252 1.00 0.00 N ATOM 378 CA HIS A 26 -0.804 -4.856 11.612 1.00 0.00 C ATOM 379 C HIS A 26 -2.113 -4.582 12.346 1.00 0.00 C ATOM 380 O HIS A 26 -2.580 -5.407 13.131 1.00 0.00 O ATOM 381 CB HIS A 26 0.364 -4.236 12.380 1.00 0.00 C ATOM 382 CG HIS A 26 0.111 -4.103 13.851 1.00 0.00 C ATOM 383 ND1 HIS A 26 0.424 -5.091 14.760 1.00 0.00 N ATOM 384 CD2 HIS A 26 -0.428 -3.090 14.568 1.00 0.00 C ATOM 385 CE1 HIS A 26 0.088 -4.691 15.974 1.00 0.00 C ATOM 386 NE2 HIS A 26 -0.431 -3.480 15.885 1.00 0.00 N ATOM 0 H HIS A 26 -0.414 -3.416 10.137 1.00 0.00 H new ATOM 0 HA HIS A 26 -0.659 -5.935 11.554 1.00 0.00 H new ATOM 0 HB2 HIS A 26 1.254 -4.846 12.227 1.00 0.00 H new ATOM 0 HB3 HIS A 26 0.578 -3.251 11.966 1.00 0.00 H new ATOM 0 HD1 HIS A 26 0.848 -5.990 14.531 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -0.789 -2.150 14.177 1.00 0.00 H new ATOM 0 HE1 HIS A 26 0.216 -5.258 16.884 1.00 0.00 H new ATOM 394 N ASN A 27 -2.700 -3.419 12.086 1.00 0.00 N ATOM 395 CA ASN A 27 -3.955 -3.036 12.723 1.00 0.00 C ATOM 396 C ASN A 27 -5.046 -4.064 12.438 1.00 0.00 C ATOM 397 O ASN A 27 -5.657 -4.608 13.358 1.00 0.00 O ATOM 398 CB ASN A 27 -4.399 -1.656 12.235 1.00 0.00 C ATOM 399 CG ASN A 27 -5.840 -1.351 12.596 1.00 0.00 C ATOM 400 OD1 ASN A 27 -6.175 -1.174 13.767 1.00 0.00 O ATOM 401 ND2 ASN A 27 -6.702 -1.289 11.587 1.00 0.00 N ATOM 0 H ASN A 27 -2.327 -2.725 11.438 1.00 0.00 H new ATOM 0 HA ASN A 27 -3.790 -2.997 13.800 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -3.750 -0.895 12.668 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -4.279 -1.600 11.153 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -7.685 -1.088 11.768 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -6.380 -1.442 10.631 1.00 0.00 H new ATOM 543 N PHE A 36 -13.742 -17.623 8.665 1.00 0.00 N ATOM 544 CA PHE A 36 -13.367 -18.219 7.388 1.00 0.00 C ATOM 545 C PHE A 36 -13.125 -17.142 6.335 1.00 0.00 C ATOM 546 O PHE A 36 -13.665 -16.039 6.425 1.00 0.00 O ATOM 547 CB PHE A 36 -14.457 -19.180 6.910 1.00 0.00 C ATOM 548 CG PHE A 36 -14.794 -20.249 7.910 1.00 0.00 C ATOM 549 CD1 PHE A 36 -14.038 -21.408 7.987 1.00 0.00 C ATOM 550 CD2 PHE A 36 -15.867 -20.095 8.773 1.00 0.00 C ATOM 551 CE1 PHE A 36 -14.347 -22.393 8.906 1.00 0.00 C ATOM 552 CE2 PHE A 36 -16.181 -21.076 9.694 1.00 0.00 C ATOM 553 CZ PHE A 36 -15.419 -22.227 9.761 1.00 0.00 C ATOM 0 HA PHE A 36 -12.441 -18.775 7.533 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -15.358 -18.610 6.681 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -14.134 -19.651 5.982 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -13.198 -21.543 7.322 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -16.465 -19.197 8.725 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -13.751 -23.292 8.956 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -17.021 -20.944 10.360 1.00 0.00 H new ATOM 0 HZ PHE A 36 -15.661 -22.995 10.480 1.00 0.00 H new ATOM 563 N GLU A 37 -12.310 -17.470 5.338 1.00 0.00 N ATOM 564 CA GLU A 37 -11.995 -16.530 4.268 1.00 0.00 C ATOM 565 C GLU A 37 -11.312 -17.240 3.103 1.00 0.00 C ATOM 566 O GLU A 37 -10.483 -18.128 3.303 1.00 0.00 O ATOM 567 CB GLU A 37 -11.098 -15.407 4.793 1.00 0.00 C ATOM 568 CG GLU A 37 -10.814 -14.324 3.766 1.00 0.00 C ATOM 569 CD GLU A 37 -10.152 -13.103 4.374 1.00 0.00 C ATOM 570 OE1 GLU A 37 -10.666 -12.596 5.392 1.00 0.00 O ATOM 571 OE2 GLU A 37 -9.121 -12.654 3.831 1.00 0.00 O ATOM 0 H GLU A 37 -11.856 -18.379 5.248 1.00 0.00 H new ATOM 0 HA GLU A 37 -12.930 -16.100 3.910 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -11.570 -14.954 5.665 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -10.153 -15.835 5.128 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -10.172 -14.729 2.984 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -11.748 -14.027 3.289 1.00 0.00 H new ATOM 578 N CYS A 38 -11.666 -16.842 1.886 1.00 0.00 N ATOM 579 CA CYS A 38 -11.089 -17.440 0.688 1.00 0.00 C ATOM 580 C CYS A 38 -9.571 -17.282 0.678 1.00 0.00 C ATOM 581 O CYS A 38 -9.037 -16.186 0.508 1.00 0.00 O ATOM 582 CB CYS A 38 -11.688 -16.799 -0.566 1.00 0.00 C ATOM 583 SG CYS A 38 -11.672 -17.878 -2.033 1.00 0.00 S ATOM 0 H CYS A 38 -12.350 -16.108 1.703 1.00 0.00 H new ATOM 0 HA CYS A 38 -11.326 -18.504 0.693 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -12.716 -16.506 -0.355 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -11.137 -15.887 -0.793 1.00 0.00 H new ATOM 0 HG CYS A 38 -12.851 -17.884 -2.580 1.00 0.00 H new ATOM 588 N PRO A 39 -8.859 -18.403 0.865 1.00 0.00 N ATOM 589 CA PRO A 39 -7.393 -18.415 0.881 1.00 0.00 C ATOM 590 C PRO A 39 -6.796 -18.148 -0.497 1.00 0.00 C ATOM 591 O PRO A 39 -5.577 -18.169 -0.671 1.00 0.00 O ATOM 592 CB PRO A 39 -7.056 -19.835 1.344 1.00 0.00 C ATOM 593 CG PRO A 39 -8.237 -20.652 0.951 1.00 0.00 C ATOM 594 CD PRO A 39 -9.429 -19.744 1.074 1.00 0.00 C ATOM 0 HA PRO A 39 -6.985 -17.634 1.523 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -6.146 -20.201 0.869 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -6.890 -19.871 2.421 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -8.133 -21.023 -0.069 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -8.342 -21.523 1.598 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -10.190 -19.977 0.330 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -9.902 -19.832 2.052 1.00 0.00 H new ATOM 602 N LYS A 40 -7.661 -17.898 -1.473 1.00 0.00 N ATOM 603 CA LYS A 40 -7.220 -17.625 -2.836 1.00 0.00 C ATOM 604 C LYS A 40 -7.251 -16.128 -3.128 1.00 0.00 C ATOM 605 O LYS A 40 -6.372 -15.600 -3.809 1.00 0.00 O ATOM 606 CB LYS A 40 -8.104 -18.370 -3.839 1.00 0.00 C ATOM 607 CG LYS A 40 -7.943 -19.879 -3.788 1.00 0.00 C ATOM 608 CD LYS A 40 -8.189 -20.512 -5.147 1.00 0.00 C ATOM 609 CE LYS A 40 -6.906 -20.612 -5.957 1.00 0.00 C ATOM 610 NZ LYS A 40 -7.145 -21.194 -7.306 1.00 0.00 N ATOM 0 H LYS A 40 -8.673 -17.879 -1.346 1.00 0.00 H new ATOM 0 HA LYS A 40 -6.193 -17.976 -2.936 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -9.147 -18.118 -3.649 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -7.870 -18.022 -4.845 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -6.938 -20.127 -3.446 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -8.639 -20.296 -3.060 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -8.615 -21.507 -5.014 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -8.922 -19.922 -5.697 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -6.465 -19.621 -6.062 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -6.184 -21.227 -5.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -6.246 -21.245 -7.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -7.542 -22.150 -7.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -7.814 -20.594 -7.829 1.00 0.00 H new ATOM 624 N CYS A 41 -8.268 -15.449 -2.608 1.00 0.00 N ATOM 625 CA CYS A 41 -8.414 -14.013 -2.812 1.00 0.00 C ATOM 626 C CYS A 41 -8.464 -13.276 -1.476 1.00 0.00 C ATOM 627 O CYS A 41 -7.818 -12.244 -1.300 1.00 0.00 O ATOM 628 CB CYS A 41 -9.680 -13.717 -3.618 1.00 0.00 C ATOM 629 SG CYS A 41 -11.212 -14.331 -2.847 1.00 0.00 S ATOM 0 H CYS A 41 -9.004 -15.871 -2.042 1.00 0.00 H new ATOM 0 HA CYS A 41 -7.546 -13.660 -3.369 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -9.764 -12.640 -3.760 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -9.580 -14.162 -4.608 1.00 0.00 H new ATOM 0 HG CYS A 41 -11.203 -15.631 -2.839 1.00 0.00 H new ATOM 634 N GLY A 42 -9.236 -13.815 -0.538 1.00 0.00 N ATOM 635 CA GLY A 42 -9.356 -13.197 0.770 1.00 0.00 C ATOM 636 C GLY A 42 -10.768 -12.728 1.062 1.00 0.00 C ATOM 637 O GLY A 42 -10.969 -11.735 1.761 1.00 0.00 O ATOM 0 H GLY A 42 -9.781 -14.669 -0.660 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -9.048 -13.910 1.535 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -8.675 -12.349 0.832 1.00 0.00 H new ATOM 641 N LYS A 43 -11.750 -13.442 0.523 1.00 0.00 N ATOM 642 CA LYS A 43 -13.151 -13.095 0.728 1.00 0.00 C ATOM 643 C LYS A 43 -13.683 -13.717 2.015 1.00 0.00 C ATOM 644 O LYS A 43 -13.926 -14.923 2.078 1.00 0.00 O ATOM 645 CB LYS A 43 -13.993 -13.560 -0.462 1.00 0.00 C ATOM 646 CG LYS A 43 -15.179 -12.659 -0.758 1.00 0.00 C ATOM 647 CD LYS A 43 -14.734 -11.305 -1.285 1.00 0.00 C ATOM 648 CE LYS A 43 -15.743 -10.217 -0.953 1.00 0.00 C ATOM 649 NZ LYS A 43 -16.764 -10.062 -2.027 1.00 0.00 N ATOM 0 H LYS A 43 -11.601 -14.266 -0.060 1.00 0.00 H new ATOM 0 HA LYS A 43 -13.222 -12.011 0.813 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -13.358 -13.613 -1.347 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -14.354 -14.570 -0.268 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -15.828 -13.140 -1.490 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -15.768 -12.522 0.149 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -13.766 -11.047 -0.856 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -14.600 -11.360 -2.365 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -16.239 -10.456 -0.012 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -15.222 -9.271 -0.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -17.434 -9.311 -1.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -16.294 -9.809 -2.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -17.279 -10.958 -2.149 1.00 0.00 H new ATOM 663 N CYS A 44 -13.864 -12.888 3.037 1.00 0.00 N ATOM 664 CA CYS A 44 -14.368 -13.358 4.323 1.00 0.00 C ATOM 665 C CYS A 44 -15.848 -13.714 4.229 1.00 0.00 C ATOM 666 O CYS A 44 -16.596 -13.106 3.462 1.00 0.00 O ATOM 667 CB CYS A 44 -14.155 -12.291 5.398 1.00 0.00 C ATOM 668 SG CYS A 44 -14.944 -10.706 5.032 1.00 0.00 S ATOM 0 H CYS A 44 -13.669 -11.887 3.000 1.00 0.00 H new ATOM 0 HA CYS A 44 -13.814 -14.256 4.597 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -14.539 -12.665 6.347 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -13.085 -12.130 5.528 1.00 0.00 H new ATOM 0 HG CYS A 44 -14.709 -9.871 6.000 1.00 0.00 H new ATOM 674 N TYR A 45 -16.264 -14.702 5.012 1.00 0.00 N ATOM 675 CA TYR A 45 -17.654 -15.142 5.014 1.00 0.00 C ATOM 676 C TYR A 45 -17.996 -15.861 6.316 1.00 0.00 C ATOM 677 O TYR A 45 -17.311 -16.801 6.718 1.00 0.00 O ATOM 678 CB TYR A 45 -17.921 -16.065 3.824 1.00 0.00 C ATOM 679 CG TYR A 45 -18.347 -15.332 2.573 1.00 0.00 C ATOM 680 CD1 TYR A 45 -19.671 -14.953 2.383 1.00 0.00 C ATOM 681 CD2 TYR A 45 -17.428 -15.019 1.579 1.00 0.00 C ATOM 682 CE1 TYR A 45 -20.065 -14.283 1.241 1.00 0.00 C ATOM 683 CE2 TYR A 45 -17.813 -14.349 0.435 1.00 0.00 C ATOM 684 CZ TYR A 45 -19.133 -13.983 0.270 1.00 0.00 C ATOM 685 OH TYR A 45 -19.521 -13.316 -0.869 1.00 0.00 O ATOM 0 H TYR A 45 -15.659 -15.214 5.654 1.00 0.00 H new ATOM 0 HA TYR A 45 -18.288 -14.259 4.930 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -17.019 -16.638 3.610 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -18.696 -16.781 4.097 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -20.404 -15.186 3.141 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -16.394 -15.305 1.704 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -21.098 -13.996 1.109 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -17.085 -14.113 -0.327 1.00 0.00 H new ATOM 0 HH TYR A 45 -18.744 -13.182 -1.450 1.00 0.00 H new ATOM 695 N PHE A 46 -19.062 -15.411 6.970 1.00 0.00 N ATOM 696 CA PHE A 46 -19.496 -16.010 8.227 1.00 0.00 C ATOM 697 C PHE A 46 -19.645 -17.522 8.087 1.00 0.00 C ATOM 698 O PHE A 46 -19.027 -18.288 8.826 1.00 0.00 O ATOM 699 CB PHE A 46 -20.823 -15.395 8.677 1.00 0.00 C ATOM 700 CG PHE A 46 -20.983 -13.956 8.279 1.00 0.00 C ATOM 701 CD1 PHE A 46 -21.465 -13.619 7.024 1.00 0.00 C ATOM 702 CD2 PHE A 46 -20.651 -12.939 9.160 1.00 0.00 C ATOM 703 CE1 PHE A 46 -21.613 -12.296 6.655 1.00 0.00 C ATOM 704 CE2 PHE A 46 -20.798 -11.614 8.796 1.00 0.00 C ATOM 705 CZ PHE A 46 -21.278 -11.292 7.542 1.00 0.00 C ATOM 0 H PHE A 46 -19.641 -14.634 6.651 1.00 0.00 H new ATOM 0 HA PHE A 46 -18.734 -15.806 8.980 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -21.644 -15.974 8.254 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -20.902 -15.475 9.761 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -21.728 -14.400 6.326 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -20.273 -13.185 10.142 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -21.990 -12.047 5.674 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -20.538 -10.831 9.492 1.00 0.00 H new ATOM 0 HZ PHE A 46 -21.391 -10.257 7.255 1.00 0.00 H new ATOM 715 N ARG A 47 -20.468 -17.943 7.133 1.00 0.00 N ATOM 716 CA ARG A 47 -20.700 -19.363 6.896 1.00 0.00 C ATOM 717 C ARG A 47 -19.557 -19.973 6.089 1.00 0.00 C ATOM 718 O ARG A 47 -19.150 -19.432 5.061 1.00 0.00 O ATOM 719 CB ARG A 47 -22.025 -19.570 6.160 1.00 0.00 C ATOM 720 CG ARG A 47 -23.228 -19.014 6.904 1.00 0.00 C ATOM 721 CD ARG A 47 -23.610 -17.634 6.393 1.00 0.00 C ATOM 722 NE ARG A 47 -24.598 -17.702 5.319 1.00 0.00 N ATOM 723 CZ ARG A 47 -25.902 -17.845 5.528 1.00 0.00 C ATOM 724 NH1 ARG A 47 -26.373 -17.933 6.765 1.00 0.00 N ATOM 725 NH2 ARG A 47 -26.738 -17.899 4.500 1.00 0.00 N ATOM 0 H ARG A 47 -20.985 -17.321 6.511 1.00 0.00 H new ATOM 0 HA ARG A 47 -20.748 -19.864 7.863 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -21.964 -19.097 5.180 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -22.174 -20.636 5.991 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -24.073 -19.692 6.789 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -23.005 -18.960 7.970 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -24.009 -17.041 7.216 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -22.718 -17.121 6.033 1.00 0.00 H new ATOM 0 HE ARG A 47 -24.268 -17.636 4.356 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -25.733 -17.891 7.558 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -27.375 -18.043 6.923 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -26.380 -17.831 3.547 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -27.739 -18.009 4.662 1.00 0.00 H new ATOM 739 N LYS A 48 -19.043 -21.103 6.563 1.00 0.00 N ATOM 740 CA LYS A 48 -17.948 -21.789 5.887 1.00 0.00 C ATOM 741 C LYS A 48 -18.396 -22.326 4.532 1.00 0.00 C ATOM 742 O LYS A 48 -17.633 -22.315 3.567 1.00 0.00 O ATOM 743 CB LYS A 48 -17.423 -22.935 6.754 1.00 0.00 C ATOM 744 CG LYS A 48 -16.383 -23.796 6.060 1.00 0.00 C ATOM 745 CD LYS A 48 -15.995 -24.996 6.909 1.00 0.00 C ATOM 746 CE LYS A 48 -14.642 -25.556 6.498 1.00 0.00 C ATOM 747 NZ LYS A 48 -14.388 -26.893 7.102 1.00 0.00 N ATOM 0 H LYS A 48 -19.367 -21.563 7.413 1.00 0.00 H new ATOM 0 HA LYS A 48 -17.146 -21.068 5.725 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -16.991 -22.521 7.665 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -18.260 -23.564 7.056 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -16.774 -24.138 5.102 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -15.497 -23.198 5.848 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -15.966 -24.706 7.959 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -16.755 -25.771 6.814 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -14.596 -25.634 5.412 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -13.856 -24.865 6.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -13.456 -27.240 6.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -14.407 -26.815 8.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -15.124 -27.559 6.792 1.00 0.00 H new ATOM 761 N GLU A 49 -19.639 -22.795 4.468 1.00 0.00 N ATOM 762 CA GLU A 49 -20.188 -23.336 3.230 1.00 0.00 C ATOM 763 C GLU A 49 -20.235 -22.266 2.143 1.00 0.00 C ATOM 764 O GLU A 49 -19.704 -22.454 1.049 1.00 0.00 O ATOM 765 CB GLU A 49 -21.591 -23.896 3.471 1.00 0.00 C ATOM 766 CG GLU A 49 -21.972 -25.015 2.516 1.00 0.00 C ATOM 767 CD GLU A 49 -22.233 -24.516 1.108 1.00 0.00 C ATOM 768 OE1 GLU A 49 -22.523 -23.312 0.950 1.00 0.00 O ATOM 769 OE2 GLU A 49 -22.149 -25.329 0.164 1.00 0.00 O ATOM 0 H GLU A 49 -20.284 -22.811 5.258 1.00 0.00 H new ATOM 0 HA GLU A 49 -19.536 -24.142 2.894 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -21.655 -24.266 4.494 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -22.317 -23.088 3.378 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -21.173 -25.756 2.493 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -22.863 -25.519 2.890 1.00 0.00 H new ATOM 776 N ASN A 50 -20.875 -21.144 2.452 1.00 0.00 N ATOM 777 CA ASN A 50 -20.993 -20.044 1.502 1.00 0.00 C ATOM 778 C ASN A 50 -19.663 -19.785 0.802 1.00 0.00 C ATOM 779 O ASN A 50 -19.594 -19.739 -0.427 1.00 0.00 O ATOM 780 CB ASN A 50 -21.463 -18.774 2.215 1.00 0.00 C ATOM 781 CG ASN A 50 -22.252 -17.857 1.301 1.00 0.00 C ATOM 782 OD1 ASN A 50 -22.501 -18.182 0.140 1.00 0.00 O ATOM 783 ND2 ASN A 50 -22.651 -16.702 1.823 1.00 0.00 N ATOM 0 H ASN A 50 -21.320 -20.972 3.353 1.00 0.00 H new ATOM 0 HA ASN A 50 -21.731 -20.324 0.750 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -22.080 -19.048 3.071 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -20.598 -18.238 2.604 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -23.186 -16.044 1.256 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -22.422 -16.473 2.790 1.00 0.00 H new ATOM 790 N LEU A 51 -18.608 -19.616 1.592 1.00 0.00 N ATOM 791 CA LEU A 51 -17.278 -19.363 1.048 1.00 0.00 C ATOM 792 C LEU A 51 -16.869 -20.462 0.074 1.00 0.00 C ATOM 793 O LEU A 51 -16.507 -20.189 -1.071 1.00 0.00 O ATOM 794 CB LEU A 51 -16.254 -19.261 2.180 1.00 0.00 C ATOM 795 CG LEU A 51 -14.793 -19.475 1.784 1.00 0.00 C ATOM 796 CD1 LEU A 51 -14.355 -18.426 0.774 1.00 0.00 C ATOM 797 CD2 LEU A 51 -13.897 -19.440 3.014 1.00 0.00 C ATOM 0 H LEU A 51 -18.648 -19.650 2.611 1.00 0.00 H new ATOM 0 HA LEU A 51 -17.308 -18.417 0.507 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -16.345 -18.276 2.638 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -16.513 -19.993 2.945 1.00 0.00 H new ATOM 0 HG LEU A 51 -14.702 -20.457 1.320 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -13.312 -18.594 0.504 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -14.977 -18.498 -0.118 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -14.461 -17.433 1.211 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -12.861 -19.594 2.714 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -13.992 -18.472 3.506 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -14.196 -20.229 3.704 1.00 0.00 H new ATOM 809 N LEU A 52 -16.931 -21.707 0.535 1.00 0.00 N ATOM 810 CA LEU A 52 -16.569 -22.850 -0.297 1.00 0.00 C ATOM 811 C LEU A 52 -17.152 -22.709 -1.699 1.00 0.00 C ATOM 812 O LEU A 52 -16.476 -22.978 -2.692 1.00 0.00 O ATOM 813 CB LEU A 52 -17.061 -24.148 0.344 1.00 0.00 C ATOM 814 CG LEU A 52 -16.287 -24.625 1.574 1.00 0.00 C ATOM 815 CD1 LEU A 52 -17.054 -25.723 2.294 1.00 0.00 C ATOM 816 CD2 LEU A 52 -14.902 -25.112 1.176 1.00 0.00 C ATOM 0 H LEU A 52 -17.228 -21.951 1.480 1.00 0.00 H new ATOM 0 HA LEU A 52 -15.482 -22.881 -0.377 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -18.106 -24.017 0.625 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -17.029 -24.936 -0.408 1.00 0.00 H new ATOM 0 HG LEU A 52 -16.172 -23.783 2.257 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -16.488 -26.050 3.166 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -18.024 -25.341 2.613 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -17.201 -26.567 1.620 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -14.365 -25.448 2.063 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -14.995 -25.940 0.474 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -14.351 -24.298 0.705 1.00 0.00 H new ATOM 828 N GLU A 53 -18.409 -22.283 -1.772 1.00 0.00 N ATOM 829 CA GLU A 53 -19.081 -22.105 -3.054 1.00 0.00 C ATOM 830 C GLU A 53 -18.353 -21.075 -3.912 1.00 0.00 C ATOM 831 O GLU A 53 -17.854 -21.392 -4.993 1.00 0.00 O ATOM 832 CB GLU A 53 -20.532 -21.670 -2.838 1.00 0.00 C ATOM 833 CG GLU A 53 -21.394 -22.732 -2.176 1.00 0.00 C ATOM 834 CD GLU A 53 -22.875 -22.412 -2.251 1.00 0.00 C ATOM 835 OE1 GLU A 53 -23.333 -21.980 -3.329 1.00 0.00 O ATOM 836 OE2 GLU A 53 -23.574 -22.594 -1.233 1.00 0.00 O ATOM 0 H GLU A 53 -18.982 -22.055 -0.960 1.00 0.00 H new ATOM 0 HA GLU A 53 -19.069 -23.061 -3.577 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -20.545 -20.769 -2.224 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -20.970 -21.406 -3.800 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -21.209 -23.694 -2.654 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -21.101 -22.833 -1.131 1.00 0.00 H new ATOM 843 N HIS A 54 -18.296 -19.840 -3.424 1.00 0.00 N ATOM 844 CA HIS A 54 -17.628 -18.763 -4.146 1.00 0.00 C ATOM 845 C HIS A 54 -16.340 -19.260 -4.795 1.00 0.00 C ATOM 846 O HIS A 54 -16.100 -19.025 -5.978 1.00 0.00 O ATOM 847 CB HIS A 54 -17.322 -17.601 -3.201 1.00 0.00 C ATOM 848 CG HIS A 54 -16.083 -16.842 -3.566 1.00 0.00 C ATOM 849 ND1 HIS A 54 -14.775 -17.153 -3.407 1.00 0.00 N flip ATOM 850 CD2 HIS A 54 -16.110 -15.604 -4.172 1.00 0.00 C flip ATOM 851 CE1 HIS A 54 -14.043 -16.108 -3.915 1.00 0.00 C flip ATOM 852 NE2 HIS A 54 -14.872 -15.186 -4.371 1.00 0.00 N flip ATOM 0 H HIS A 54 -18.704 -19.560 -2.532 1.00 0.00 H new ATOM 0 HA HIS A 54 -18.298 -18.415 -4.932 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -18.169 -16.916 -3.195 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -17.217 -17.986 -2.187 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -17.003 -15.061 -4.442 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -12.965 -16.049 -3.938 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -14.603 -14.302 -4.803 1.00 0.00 H new ATOM 860 N GLU A 55 -15.515 -19.947 -4.010 1.00 0.00 N ATOM 861 CA GLU A 55 -14.251 -20.475 -4.509 1.00 0.00 C ATOM 862 C GLU A 55 -14.430 -21.105 -5.887 1.00 0.00 C ATOM 863 O GLU A 55 -13.610 -20.909 -6.783 1.00 0.00 O ATOM 864 CB GLU A 55 -13.684 -21.508 -3.533 1.00 0.00 C ATOM 865 CG GLU A 55 -12.949 -20.893 -2.354 1.00 0.00 C ATOM 866 CD GLU A 55 -12.588 -21.915 -1.294 1.00 0.00 C ATOM 867 OE1 GLU A 55 -12.489 -23.113 -1.635 1.00 0.00 O ATOM 868 OE2 GLU A 55 -12.406 -21.518 -0.124 1.00 0.00 O ATOM 0 H GLU A 55 -15.699 -20.150 -3.028 1.00 0.00 H new ATOM 0 HA GLU A 55 -13.550 -19.645 -4.597 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -14.499 -22.128 -3.159 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -13.003 -22.168 -4.071 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -12.040 -20.408 -2.710 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -13.571 -20.117 -1.908 1.00 0.00 H new ATOM 875 N ALA A 56 -15.509 -21.865 -6.048 1.00 0.00 N ATOM 876 CA ALA A 56 -15.798 -22.523 -7.316 1.00 0.00 C ATOM 877 C ALA A 56 -16.577 -21.602 -8.248 1.00 0.00 C ATOM 878 O ALA A 56 -16.257 -21.485 -9.431 1.00 0.00 O ATOM 879 CB ALA A 56 -16.570 -23.812 -7.077 1.00 0.00 C ATOM 0 H ALA A 56 -16.197 -22.040 -5.316 1.00 0.00 H new ATOM 0 HA ALA A 56 -14.850 -22.764 -7.797 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -16.779 -24.293 -8.032 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -15.976 -24.482 -6.456 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -17.509 -23.585 -6.572 1.00 0.00 H new ATOM 885 N ARG A 57 -17.602 -20.951 -7.707 1.00 0.00 N ATOM 886 CA ARG A 57 -18.429 -20.041 -8.492 1.00 0.00 C ATOM 887 C ARG A 57 -17.570 -18.989 -9.187 1.00 0.00 C ATOM 888 O ARG A 57 -17.555 -18.898 -10.414 1.00 0.00 O ATOM 889 CB ARG A 57 -19.464 -19.358 -7.596 1.00 0.00 C ATOM 890 CG ARG A 57 -20.750 -18.993 -8.321 1.00 0.00 C ATOM 891 CD ARG A 57 -21.718 -20.165 -8.361 1.00 0.00 C ATOM 892 NE ARG A 57 -22.602 -20.185 -7.198 1.00 0.00 N ATOM 893 CZ ARG A 57 -23.693 -20.939 -7.117 1.00 0.00 C ATOM 894 NH1 ARG A 57 -24.032 -21.731 -8.125 1.00 0.00 N ATOM 895 NH2 ARG A 57 -24.446 -20.902 -6.026 1.00 0.00 N ATOM 0 H ARG A 57 -17.880 -21.036 -6.729 1.00 0.00 H new ATOM 0 HA ARG A 57 -18.946 -20.625 -9.254 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -19.702 -20.018 -6.762 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -19.026 -18.454 -7.173 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -21.222 -18.146 -7.823 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -20.518 -18.676 -9.338 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -22.317 -20.110 -9.270 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -21.156 -21.098 -8.405 1.00 0.00 H new ATOM 0 HE ARG A 57 -22.369 -19.587 -6.405 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -23.455 -21.762 -8.965 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -24.870 -22.309 -8.060 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -24.188 -20.294 -5.248 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -25.283 -21.481 -5.964 1.00 0.00 H new ATOM 909 N ASN A 58 -16.856 -18.196 -8.394 1.00 0.00 N ATOM 910 CA ASN A 58 -15.995 -17.150 -8.934 1.00 0.00 C ATOM 911 C ASN A 58 -14.925 -16.750 -7.923 1.00 0.00 C ATOM 912 O ASN A 58 -15.122 -16.871 -6.713 1.00 0.00 O ATOM 913 CB ASN A 58 -16.827 -15.926 -9.323 1.00 0.00 C ATOM 914 CG ASN A 58 -16.067 -14.972 -10.223 1.00 0.00 C ATOM 915 OD1 ASN A 58 -16.109 -15.090 -11.448 1.00 0.00 O ATOM 916 ND2 ASN A 58 -15.365 -14.021 -9.619 1.00 0.00 N ATOM 0 H ASN A 58 -16.857 -18.258 -7.376 1.00 0.00 H new ATOM 0 HA ASN A 58 -15.501 -17.543 -9.823 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -17.735 -16.253 -9.830 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -17.138 -15.400 -8.420 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -14.832 -13.351 -10.173 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -15.359 -13.960 -8.601 1.00 0.00 H new ATOM 1031 N VAL A 66 4.639 -8.487 -7.649 1.00 0.00 N ATOM 1032 CA VAL A 66 4.967 -7.315 -6.846 1.00 0.00 C ATOM 1033 C VAL A 66 6.475 -7.110 -6.764 1.00 0.00 C ATOM 1034 O VAL A 66 7.253 -7.990 -7.135 1.00 0.00 O ATOM 1035 CB VAL A 66 4.398 -7.435 -5.420 1.00 0.00 C ATOM 1036 CG1 VAL A 66 2.877 -7.449 -5.451 1.00 0.00 C ATOM 1037 CG2 VAL A 66 4.936 -8.681 -4.734 1.00 0.00 C ATOM 0 HA VAL A 66 4.513 -6.456 -7.339 1.00 0.00 H new ATOM 0 HB VAL A 66 4.718 -6.565 -4.846 1.00 0.00 H new ATOM 0 HG11 VAL A 66 2.493 -7.534 -4.434 1.00 0.00 H new ATOM 0 HG12 VAL A 66 2.514 -6.524 -5.900 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.533 -8.298 -6.041 1.00 0.00 H new ATOM 0 HG21 VAL A 66 4.523 -8.749 -3.728 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.648 -9.564 -5.305 1.00 0.00 H new ATOM 0 HG23 VAL A 66 6.023 -8.624 -4.677 1.00 0.00 H new ATOM 1047 N PHE A 67 6.883 -5.944 -6.274 1.00 0.00 N ATOM 1048 CA PHE A 67 8.299 -5.622 -6.143 1.00 0.00 C ATOM 1049 C PHE A 67 8.688 -5.469 -4.676 1.00 0.00 C ATOM 1050 O PHE A 67 7.858 -5.129 -3.833 1.00 0.00 O ATOM 1051 CB PHE A 67 8.625 -4.337 -6.906 1.00 0.00 C ATOM 1052 CG PHE A 67 8.391 -4.442 -8.386 1.00 0.00 C ATOM 1053 CD1 PHE A 67 7.108 -4.570 -8.891 1.00 0.00 C ATOM 1054 CD2 PHE A 67 9.456 -4.413 -9.272 1.00 0.00 C ATOM 1055 CE1 PHE A 67 6.889 -4.667 -10.252 1.00 0.00 C ATOM 1056 CE2 PHE A 67 9.244 -4.509 -10.635 1.00 0.00 C ATOM 1057 CZ PHE A 67 7.959 -4.638 -11.125 1.00 0.00 C ATOM 0 H PHE A 67 6.252 -5.206 -5.961 1.00 0.00 H new ATOM 0 HA PHE A 67 8.874 -6.444 -6.569 1.00 0.00 H new ATOM 0 HB2 PHE A 67 8.019 -3.524 -6.507 1.00 0.00 H new ATOM 0 HB3 PHE A 67 9.668 -4.074 -6.729 1.00 0.00 H new ATOM 0 HD1 PHE A 67 6.268 -4.594 -8.213 1.00 0.00 H new ATOM 0 HD2 PHE A 67 10.463 -4.314 -8.894 1.00 0.00 H new ATOM 0 HE1 PHE A 67 5.883 -4.765 -10.632 1.00 0.00 H new ATOM 0 HE2 PHE A 67 10.082 -4.483 -11.316 1.00 0.00 H new ATOM 0 HZ PHE A 67 7.791 -4.716 -12.189 1.00 0.00 H new ATOM 1067 N THR A 68 9.959 -5.724 -4.377 1.00 0.00 N ATOM 1068 CA THR A 68 10.459 -5.616 -3.013 1.00 0.00 C ATOM 1069 C THR A 68 11.529 -4.536 -2.903 1.00 0.00 C ATOM 1070 O THR A 68 12.482 -4.510 -3.683 1.00 0.00 O ATOM 1071 CB THR A 68 11.044 -6.954 -2.522 1.00 0.00 C ATOM 1072 OG1 THR A 68 10.049 -7.981 -2.596 1.00 0.00 O ATOM 1073 CG2 THR A 68 11.549 -6.832 -1.092 1.00 0.00 C ATOM 0 H THR A 68 10.660 -6.007 -5.062 1.00 0.00 H new ATOM 0 HA THR A 68 9.609 -5.347 -2.385 1.00 0.00 H new ATOM 0 HB THR A 68 11.884 -7.216 -3.166 1.00 0.00 H new ATOM 0 HG1 THR A 68 10.430 -8.828 -2.284 1.00 0.00 H new ATOM 0 HG21 THR A 68 11.957 -7.789 -0.767 1.00 0.00 H new ATOM 0 HG22 THR A 68 12.328 -6.071 -1.045 1.00 0.00 H new ATOM 0 HG23 THR A 68 10.724 -6.549 -0.438 1.00 0.00 H new ATOM 1081 N CYS A 69 11.367 -3.646 -1.930 1.00 0.00 N ATOM 1082 CA CYS A 69 12.320 -2.563 -1.717 1.00 0.00 C ATOM 1083 C CYS A 69 13.729 -3.111 -1.512 1.00 0.00 C ATOM 1084 O CYS A 69 13.930 -4.322 -1.428 1.00 0.00 O ATOM 1085 CB CYS A 69 11.906 -1.723 -0.507 1.00 0.00 C ATOM 1086 SG CYS A 69 12.577 -0.029 -0.514 1.00 0.00 S ATOM 0 H CYS A 69 10.584 -3.653 -1.276 1.00 0.00 H new ATOM 0 HA CYS A 69 12.321 -1.932 -2.606 1.00 0.00 H new ATOM 0 HB2 CYS A 69 10.818 -1.671 -0.469 1.00 0.00 H new ATOM 0 HB3 CYS A 69 12.233 -2.228 0.402 1.00 0.00 H new ATOM 0 HG CYS A 69 13.149 0.216 0.627 1.00 0.00 H new ATOM 1091 N SER A 70 14.702 -2.209 -1.433 1.00 0.00 N ATOM 1092 CA SER A 70 16.094 -2.601 -1.241 1.00 0.00 C ATOM 1093 C SER A 70 16.615 -2.113 0.107 1.00 0.00 C ATOM 1094 O SER A 70 17.795 -2.268 0.423 1.00 0.00 O ATOM 1095 CB SER A 70 16.963 -2.041 -2.369 1.00 0.00 C ATOM 1096 OG SER A 70 18.250 -2.635 -2.364 1.00 0.00 O ATOM 0 H SER A 70 14.553 -1.202 -1.499 1.00 0.00 H new ATOM 0 HA SER A 70 16.145 -3.690 -1.258 1.00 0.00 H new ATOM 0 HB2 SER A 70 16.479 -2.222 -3.329 1.00 0.00 H new ATOM 0 HB3 SER A 70 17.057 -0.961 -2.258 1.00 0.00 H new ATOM 0 HG SER A 70 18.564 -2.727 -1.440 1.00 0.00 H new ATOM 1102 N VAL A 71 15.726 -1.523 0.900 1.00 0.00 N ATOM 1103 CA VAL A 71 16.094 -1.013 2.215 1.00 0.00 C ATOM 1104 C VAL A 71 15.180 -1.574 3.298 1.00 0.00 C ATOM 1105 O VAL A 71 15.645 -2.048 4.335 1.00 0.00 O ATOM 1106 CB VAL A 71 16.037 0.526 2.257 1.00 0.00 C ATOM 1107 CG1 VAL A 71 16.390 1.036 3.646 1.00 0.00 C ATOM 1108 CG2 VAL A 71 16.965 1.122 1.209 1.00 0.00 C ATOM 0 H VAL A 71 14.746 -1.387 0.654 1.00 0.00 H new ATOM 0 HA VAL A 71 17.118 -1.336 2.404 1.00 0.00 H new ATOM 0 HB VAL A 71 15.019 0.841 2.029 1.00 0.00 H new ATOM 0 HG11 VAL A 71 16.344 2.125 3.656 1.00 0.00 H new ATOM 0 HG12 VAL A 71 15.681 0.636 4.371 1.00 0.00 H new ATOM 0 HG13 VAL A 71 17.398 0.713 3.907 1.00 0.00 H new ATOM 0 HG21 VAL A 71 16.912 2.210 1.253 1.00 0.00 H new ATOM 0 HG22 VAL A 71 17.988 0.800 1.404 1.00 0.00 H new ATOM 0 HG23 VAL A 71 16.661 0.783 0.219 1.00 0.00 H new ATOM 1118 N CYS A 72 13.876 -1.519 3.050 1.00 0.00 N ATOM 1119 CA CYS A 72 12.894 -2.022 4.003 1.00 0.00 C ATOM 1120 C CYS A 72 12.158 -3.234 3.438 1.00 0.00 C ATOM 1121 O CYS A 72 11.299 -3.815 4.101 1.00 0.00 O ATOM 1122 CB CYS A 72 11.890 -0.923 4.361 1.00 0.00 C ATOM 1123 SG CYS A 72 10.928 -0.305 2.943 1.00 0.00 S ATOM 0 H CYS A 72 13.474 -1.131 2.196 1.00 0.00 H new ATOM 0 HA CYS A 72 13.424 -2.329 4.905 1.00 0.00 H new ATOM 0 HB2 CYS A 72 11.202 -1.306 5.114 1.00 0.00 H new ATOM 0 HB3 CYS A 72 12.426 -0.089 4.814 1.00 0.00 H new ATOM 0 HG CYS A 72 11.678 -0.294 1.881 1.00 0.00 H new ATOM 1128 N GLN A 73 12.502 -3.608 2.211 1.00 0.00 N ATOM 1129 CA GLN A 73 11.875 -4.750 1.557 1.00 0.00 C ATOM 1130 C GLN A 73 10.363 -4.567 1.473 1.00 0.00 C ATOM 1131 O GLN A 73 9.604 -5.524 1.619 1.00 0.00 O ATOM 1132 CB GLN A 73 12.203 -6.040 2.311 1.00 0.00 C ATOM 1133 CG GLN A 73 13.677 -6.188 2.651 1.00 0.00 C ATOM 1134 CD GLN A 73 14.582 -5.859 1.480 1.00 0.00 C ATOM 1135 OE1 GLN A 73 14.615 -6.583 0.484 1.00 0.00 O ATOM 1136 NE2 GLN A 73 15.322 -4.763 1.593 1.00 0.00 N ATOM 0 H GLN A 73 13.211 -3.137 1.649 1.00 0.00 H new ATOM 0 HA GLN A 73 12.271 -4.819 0.544 1.00 0.00 H new ATOM 0 HB2 GLN A 73 11.621 -6.070 3.232 1.00 0.00 H new ATOM 0 HB3 GLN A 73 11.890 -6.893 1.708 1.00 0.00 H new ATOM 0 HG2 GLN A 73 13.920 -5.534 3.488 1.00 0.00 H new ATOM 0 HG3 GLN A 73 13.870 -7.210 2.978 1.00 0.00 H new ATOM 0 HE21 GLN A 73 15.263 -4.192 2.436 1.00 0.00 H new ATOM 0 HE22 GLN A 73 15.950 -4.491 0.836 1.00 0.00 H new ATOM 1145 N GLU A 74 9.934 -3.331 1.238 1.00 0.00 N ATOM 1146 CA GLU A 74 8.513 -3.023 1.136 1.00 0.00 C ATOM 1147 C GLU A 74 7.867 -3.804 -0.005 1.00 0.00 C ATOM 1148 O GLU A 74 8.513 -4.628 -0.652 1.00 0.00 O ATOM 1149 CB GLU A 74 8.307 -1.522 0.922 1.00 0.00 C ATOM 1150 CG GLU A 74 7.067 -0.973 1.607 1.00 0.00 C ATOM 1151 CD GLU A 74 6.803 -1.629 2.948 1.00 0.00 C ATOM 1152 OE1 GLU A 74 7.640 -1.470 3.861 1.00 0.00 O ATOM 1153 OE2 GLU A 74 5.760 -2.302 3.084 1.00 0.00 O ATOM 0 H GLU A 74 10.550 -2.527 1.115 1.00 0.00 H new ATOM 0 HA GLU A 74 8.036 -3.318 2.071 1.00 0.00 H new ATOM 0 HB2 GLU A 74 9.182 -0.988 1.291 1.00 0.00 H new ATOM 0 HB3 GLU A 74 8.239 -1.322 -0.147 1.00 0.00 H new ATOM 0 HG2 GLU A 74 7.180 0.102 1.749 1.00 0.00 H new ATOM 0 HG3 GLU A 74 6.203 -1.120 0.959 1.00 0.00 H new ATOM 1160 N THR A 75 6.586 -3.538 -0.245 1.00 0.00 N ATOM 1161 CA THR A 75 5.852 -4.216 -1.306 1.00 0.00 C ATOM 1162 C THR A 75 5.197 -3.213 -2.249 1.00 0.00 C ATOM 1163 O THR A 75 4.470 -2.320 -1.815 1.00 0.00 O ATOM 1164 CB THR A 75 4.767 -5.147 -0.731 1.00 0.00 C ATOM 1165 OG1 THR A 75 3.993 -4.449 0.251 1.00 0.00 O ATOM 1166 CG2 THR A 75 5.391 -6.385 -0.107 1.00 0.00 C ATOM 0 H THR A 75 6.036 -2.858 0.281 1.00 0.00 H new ATOM 0 HA THR A 75 6.576 -4.812 -1.861 1.00 0.00 H new ATOM 0 HB THR A 75 4.118 -5.461 -1.549 1.00 0.00 H new ATOM 0 HG1 THR A 75 3.304 -5.047 0.610 1.00 0.00 H new ATOM 0 HG21 THR A 75 4.605 -7.027 0.292 1.00 0.00 H new ATOM 0 HG22 THR A 75 5.955 -6.930 -0.865 1.00 0.00 H new ATOM 0 HG23 THR A 75 6.061 -6.088 0.700 1.00 0.00 H new ATOM 1174 N PHE A 76 5.460 -3.367 -3.543 1.00 0.00 N ATOM 1175 CA PHE A 76 4.897 -2.474 -4.549 1.00 0.00 C ATOM 1176 C PHE A 76 4.336 -3.266 -5.727 1.00 0.00 C ATOM 1177 O PHE A 76 5.065 -3.991 -6.404 1.00 0.00 O ATOM 1178 CB PHE A 76 5.960 -1.490 -5.041 1.00 0.00 C ATOM 1179 CG PHE A 76 6.750 -0.857 -3.931 1.00 0.00 C ATOM 1180 CD1 PHE A 76 7.872 -1.485 -3.416 1.00 0.00 C ATOM 1181 CD2 PHE A 76 6.371 0.367 -3.404 1.00 0.00 C ATOM 1182 CE1 PHE A 76 8.602 -0.906 -2.395 1.00 0.00 C ATOM 1183 CE2 PHE A 76 7.097 0.952 -2.383 1.00 0.00 C ATOM 1184 CZ PHE A 76 8.213 0.314 -1.878 1.00 0.00 C ATOM 0 H PHE A 76 6.059 -4.102 -3.919 1.00 0.00 H new ATOM 0 HA PHE A 76 4.082 -1.916 -4.088 1.00 0.00 H new ATOM 0 HB2 PHE A 76 6.644 -2.011 -5.711 1.00 0.00 H new ATOM 0 HB3 PHE A 76 5.476 -0.707 -5.625 1.00 0.00 H new ATOM 0 HD1 PHE A 76 8.180 -2.439 -3.817 1.00 0.00 H new ATOM 0 HD2 PHE A 76 5.499 0.870 -3.795 1.00 0.00 H new ATOM 0 HE1 PHE A 76 9.475 -1.407 -2.002 1.00 0.00 H new ATOM 0 HE2 PHE A 76 6.792 1.907 -1.981 1.00 0.00 H new ATOM 0 HZ PHE A 76 8.781 0.769 -1.080 1.00 0.00 H new ATOM 1194 N ARG A 77 3.037 -3.121 -5.964 1.00 0.00 N ATOM 1195 CA ARG A 77 2.377 -3.824 -7.058 1.00 0.00 C ATOM 1196 C ARG A 77 3.108 -3.585 -8.376 1.00 0.00 C ATOM 1197 O ARG A 77 3.142 -4.456 -9.246 1.00 0.00 O ATOM 1198 CB ARG A 77 0.922 -3.369 -7.181 1.00 0.00 C ATOM 1199 CG ARG A 77 0.770 -1.890 -7.495 1.00 0.00 C ATOM 1200 CD ARG A 77 0.878 -1.040 -6.240 1.00 0.00 C ATOM 1201 NE ARG A 77 0.201 0.246 -6.389 1.00 0.00 N ATOM 1202 CZ ARG A 77 -1.089 0.430 -6.131 1.00 0.00 C ATOM 1203 NH1 ARG A 77 -1.837 -0.582 -5.714 1.00 0.00 N ATOM 1204 NH2 ARG A 77 -1.634 1.630 -6.291 1.00 0.00 N ATOM 0 H ARG A 77 2.420 -2.523 -5.414 1.00 0.00 H new ATOM 0 HA ARG A 77 2.399 -4.891 -6.837 1.00 0.00 H new ATOM 0 HB2 ARG A 77 0.434 -3.950 -7.964 1.00 0.00 H new ATOM 0 HB3 ARG A 77 0.402 -3.589 -6.249 1.00 0.00 H new ATOM 0 HG2 ARG A 77 1.537 -1.588 -8.208 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -0.194 -1.716 -7.972 1.00 0.00 H new ATOM 0 HD2 ARG A 77 0.447 -1.581 -5.398 1.00 0.00 H new ATOM 0 HD3 ARG A 77 1.929 -0.871 -6.006 1.00 0.00 H new ATOM 0 HE ARG A 77 0.748 1.045 -6.708 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -1.422 -1.506 -5.590 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -2.827 -0.437 -5.517 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -1.062 2.411 -6.612 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -2.625 1.771 -6.093 1.00 0.00 H new ATOM 1218 N ARG A 78 3.692 -2.399 -8.517 1.00 0.00 N ATOM 1219 CA ARG A 78 4.421 -2.045 -9.729 1.00 0.00 C ATOM 1220 C ARG A 78 5.833 -1.572 -9.396 1.00 0.00 C ATOM 1221 O ARG A 78 6.167 -1.356 -8.231 1.00 0.00 O ATOM 1222 CB ARG A 78 3.674 -0.955 -10.499 1.00 0.00 C ATOM 1223 CG ARG A 78 2.293 -1.380 -10.972 1.00 0.00 C ATOM 1224 CD ARG A 78 1.488 -0.193 -11.478 1.00 0.00 C ATOM 1225 NE ARG A 78 1.689 0.036 -12.906 1.00 0.00 N ATOM 1226 CZ ARG A 78 0.740 0.484 -13.720 1.00 0.00 C ATOM 1227 NH1 ARG A 78 -0.470 0.751 -13.248 1.00 0.00 N ATOM 1228 NH2 ARG A 78 1.000 0.667 -15.008 1.00 0.00 N ATOM 0 H ARG A 78 3.674 -1.667 -7.807 1.00 0.00 H new ATOM 0 HA ARG A 78 4.493 -2.936 -10.353 1.00 0.00 H new ATOM 0 HB2 ARG A 78 3.576 -0.075 -9.863 1.00 0.00 H new ATOM 0 HB3 ARG A 78 4.269 -0.659 -11.363 1.00 0.00 H new ATOM 0 HG2 ARG A 78 2.391 -2.120 -11.766 1.00 0.00 H new ATOM 0 HG3 ARG A 78 1.759 -1.861 -10.153 1.00 0.00 H new ATOM 0 HD2 ARG A 78 0.429 -0.364 -11.284 1.00 0.00 H new ATOM 0 HD3 ARG A 78 1.773 0.701 -10.924 1.00 0.00 H new ATOM 0 HE ARG A 78 2.609 -0.159 -13.300 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -0.673 0.612 -12.258 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -1.197 1.095 -13.875 1.00 0.00 H new ATOM 0 HH21 ARG A 78 1.930 0.464 -15.374 1.00 0.00 H new ATOM 0 HH22 ARG A 78 0.270 1.011 -15.632 1.00 0.00 H new ATOM 1242 N ARG A 79 6.656 -1.413 -10.427 1.00 0.00 N ATOM 1243 CA ARG A 79 8.032 -0.966 -10.244 1.00 0.00 C ATOM 1244 C ARG A 79 8.085 0.534 -9.969 1.00 0.00 C ATOM 1245 O ARG A 79 8.564 0.966 -8.921 1.00 0.00 O ATOM 1246 CB ARG A 79 8.868 -1.299 -11.481 1.00 0.00 C ATOM 1247 CG ARG A 79 10.305 -0.813 -11.394 1.00 0.00 C ATOM 1248 CD ARG A 79 11.157 -1.743 -10.543 1.00 0.00 C ATOM 1249 NE ARG A 79 12.581 -1.440 -10.658 1.00 0.00 N ATOM 1250 CZ ARG A 79 13.520 -2.367 -10.807 1.00 0.00 C ATOM 1251 NH1 ARG A 79 13.187 -3.650 -10.858 1.00 0.00 N ATOM 1252 NH2 ARG A 79 14.795 -2.013 -10.905 1.00 0.00 N ATOM 0 H ARG A 79 6.394 -1.587 -11.397 1.00 0.00 H new ATOM 0 HA ARG A 79 8.446 -1.490 -9.383 1.00 0.00 H new ATOM 0 HB2 ARG A 79 8.867 -2.379 -11.630 1.00 0.00 H new ATOM 0 HB3 ARG A 79 8.396 -0.856 -12.358 1.00 0.00 H new ATOM 0 HG2 ARG A 79 10.729 -0.745 -12.396 1.00 0.00 H new ATOM 0 HG3 ARG A 79 10.326 0.191 -10.970 1.00 0.00 H new ATOM 0 HD2 ARG A 79 10.852 -1.661 -9.500 1.00 0.00 H new ATOM 0 HD3 ARG A 79 10.980 -2.775 -10.846 1.00 0.00 H new ATOM 0 HE ARG A 79 12.870 -0.463 -10.622 1.00 0.00 H new ATOM 0 HH11 ARG A 79 12.208 -3.926 -10.783 1.00 0.00 H new ATOM 0 HH12 ARG A 79 13.910 -4.360 -10.973 1.00 0.00 H new ATOM 0 HH21 ARG A 79 15.055 -1.028 -10.866 1.00 0.00 H new ATOM 0 HH22 ARG A 79 15.515 -2.726 -11.019 1.00 0.00 H new ATOM 1266 N MET A 80 7.591 1.322 -10.919 1.00 0.00 N ATOM 1267 CA MET A 80 7.581 2.773 -10.778 1.00 0.00 C ATOM 1268 C MET A 80 7.310 3.178 -9.333 1.00 0.00 C ATOM 1269 O MET A 80 8.024 4.005 -8.767 1.00 0.00 O ATOM 1270 CB MET A 80 6.526 3.389 -11.699 1.00 0.00 C ATOM 1271 CG MET A 80 6.347 4.886 -11.502 1.00 0.00 C ATOM 1272 SD MET A 80 7.432 5.861 -12.562 1.00 0.00 S ATOM 1273 CE MET A 80 8.933 5.878 -11.584 1.00 0.00 C ATOM 0 H MET A 80 7.193 0.980 -11.794 1.00 0.00 H new ATOM 0 HA MET A 80 8.565 3.147 -11.062 1.00 0.00 H new ATOM 0 HB2 MET A 80 6.804 3.198 -12.735 1.00 0.00 H new ATOM 0 HB3 MET A 80 5.571 2.892 -11.528 1.00 0.00 H new ATOM 0 HG2 MET A 80 5.310 5.154 -11.706 1.00 0.00 H new ATOM 0 HG3 MET A 80 6.542 5.137 -10.460 1.00 0.00 H new ATOM 0 HE1 MET A 80 9.447 6.829 -11.723 1.00 0.00 H new ATOM 0 HE2 MET A 80 8.682 5.751 -10.531 1.00 0.00 H new ATOM 0 HE3 MET A 80 9.584 5.064 -11.903 1.00 0.00 H new ATOM 1283 N GLU A 81 6.274 2.590 -8.743 1.00 0.00 N ATOM 1284 CA GLU A 81 5.909 2.891 -7.363 1.00 0.00 C ATOM 1285 C GLU A 81 7.125 2.798 -6.446 1.00 0.00 C ATOM 1286 O GLU A 81 7.377 3.692 -5.637 1.00 0.00 O ATOM 1287 CB GLU A 81 4.818 1.934 -6.880 1.00 0.00 C ATOM 1288 CG GLU A 81 3.569 1.949 -7.745 1.00 0.00 C ATOM 1289 CD GLU A 81 2.859 3.289 -7.724 1.00 0.00 C ATOM 1290 OE1 GLU A 81 2.992 4.015 -6.716 1.00 0.00 O ATOM 1291 OE2 GLU A 81 2.172 3.612 -8.715 1.00 0.00 O ATOM 0 H GLU A 81 5.673 1.903 -9.198 1.00 0.00 H new ATOM 0 HA GLU A 81 5.527 3.912 -7.330 1.00 0.00 H new ATOM 0 HB2 GLU A 81 5.220 0.921 -6.855 1.00 0.00 H new ATOM 0 HB3 GLU A 81 4.545 2.194 -5.857 1.00 0.00 H new ATOM 0 HG2 GLU A 81 3.840 1.702 -8.771 1.00 0.00 H new ATOM 0 HG3 GLU A 81 2.884 1.174 -7.401 1.00 0.00 H new ATOM 1298 N LEU A 82 7.876 1.710 -6.578 1.00 0.00 N ATOM 1299 CA LEU A 82 9.066 1.499 -5.761 1.00 0.00 C ATOM 1300 C LEU A 82 10.052 2.651 -5.926 1.00 0.00 C ATOM 1301 O LEU A 82 10.692 3.075 -4.964 1.00 0.00 O ATOM 1302 CB LEU A 82 9.740 0.178 -6.139 1.00 0.00 C ATOM 1303 CG LEU A 82 11.179 -0.003 -5.657 1.00 0.00 C ATOM 1304 CD1 LEU A 82 11.242 0.035 -4.138 1.00 0.00 C ATOM 1305 CD2 LEU A 82 11.758 -1.308 -6.183 1.00 0.00 C ATOM 0 H LEU A 82 7.682 0.961 -7.242 1.00 0.00 H new ATOM 0 HA LEU A 82 8.757 1.457 -4.717 1.00 0.00 H new ATOM 0 HB2 LEU A 82 9.139 -0.640 -5.741 1.00 0.00 H new ATOM 0 HB3 LEU A 82 9.727 0.084 -7.225 1.00 0.00 H new ATOM 0 HG LEU A 82 11.778 0.820 -6.046 1.00 0.00 H new ATOM 0 HD11 LEU A 82 12.274 -0.096 -3.813 1.00 0.00 H new ATOM 0 HD12 LEU A 82 10.868 0.995 -3.782 1.00 0.00 H new ATOM 0 HD13 LEU A 82 10.629 -0.767 -3.728 1.00 0.00 H new ATOM 0 HD21 LEU A 82 12.783 -1.420 -5.830 1.00 0.00 H new ATOM 0 HD22 LEU A 82 11.157 -2.144 -5.824 1.00 0.00 H new ATOM 0 HD23 LEU A 82 11.749 -1.297 -7.273 1.00 0.00 H new ATOM 1317 N ARG A 83 10.167 3.154 -7.151 1.00 0.00 N ATOM 1318 CA ARG A 83 11.074 4.258 -7.441 1.00 0.00 C ATOM 1319 C ARG A 83 10.676 5.508 -6.660 1.00 0.00 C ATOM 1320 O ARG A 83 11.526 6.193 -6.090 1.00 0.00 O ATOM 1321 CB ARG A 83 11.079 4.561 -8.941 1.00 0.00 C ATOM 1322 CG ARG A 83 11.394 3.351 -9.805 1.00 0.00 C ATOM 1323 CD ARG A 83 12.852 2.939 -9.676 1.00 0.00 C ATOM 1324 NE ARG A 83 13.698 3.599 -10.667 1.00 0.00 N ATOM 1325 CZ ARG A 83 14.866 4.162 -10.379 1.00 0.00 C ATOM 1326 NH1 ARG A 83 15.325 4.144 -9.135 1.00 0.00 N ATOM 1327 NH2 ARG A 83 15.578 4.743 -11.336 1.00 0.00 N ATOM 0 H ARG A 83 9.644 2.815 -7.958 1.00 0.00 H new ATOM 0 HA ARG A 83 12.077 3.962 -7.133 1.00 0.00 H new ATOM 0 HB2 ARG A 83 10.104 4.957 -9.226 1.00 0.00 H new ATOM 0 HB3 ARG A 83 11.812 5.342 -9.143 1.00 0.00 H new ATOM 0 HG2 ARG A 83 10.753 2.519 -9.515 1.00 0.00 H new ATOM 0 HG3 ARG A 83 11.170 3.578 -10.847 1.00 0.00 H new ATOM 0 HD2 ARG A 83 13.210 3.181 -8.675 1.00 0.00 H new ATOM 0 HD3 ARG A 83 12.935 1.858 -9.791 1.00 0.00 H new ATOM 0 HE ARG A 83 13.374 3.629 -11.634 1.00 0.00 H new ATOM 0 HH11 ARG A 83 14.781 3.697 -8.397 1.00 0.00 H new ATOM 0 HH12 ARG A 83 16.222 4.577 -8.916 1.00 0.00 H new ATOM 0 HH21 ARG A 83 15.229 4.758 -12.294 1.00 0.00 H new ATOM 0 HH22 ARG A 83 16.475 5.175 -11.114 1.00 0.00 H new ATOM 1341 N LEU A 84 9.380 5.799 -6.640 1.00 0.00 N ATOM 1342 CA LEU A 84 8.869 6.966 -5.930 1.00 0.00 C ATOM 1343 C LEU A 84 8.949 6.763 -4.420 1.00 0.00 C ATOM 1344 O LEU A 84 8.828 7.715 -3.648 1.00 0.00 O ATOM 1345 CB LEU A 84 7.423 7.246 -6.343 1.00 0.00 C ATOM 1346 CG LEU A 84 7.079 6.974 -7.807 1.00 0.00 C ATOM 1347 CD1 LEU A 84 5.614 7.283 -8.077 1.00 0.00 C ATOM 1348 CD2 LEU A 84 7.976 7.789 -8.727 1.00 0.00 C ATOM 0 H LEU A 84 8.664 5.243 -7.107 1.00 0.00 H new ATOM 0 HA LEU A 84 9.488 7.823 -6.196 1.00 0.00 H new ATOM 0 HB2 LEU A 84 6.764 6.643 -5.718 1.00 0.00 H new ATOM 0 HB3 LEU A 84 7.200 8.291 -6.126 1.00 0.00 H new ATOM 0 HG LEU A 84 7.250 5.917 -8.010 1.00 0.00 H new ATOM 0 HD11 LEU A 84 5.387 7.084 -9.124 1.00 0.00 H new ATOM 0 HD12 LEU A 84 4.987 6.655 -7.444 1.00 0.00 H new ATOM 0 HD13 LEU A 84 5.417 8.332 -7.856 1.00 0.00 H new ATOM 0 HD21 LEU A 84 7.716 7.582 -9.765 1.00 0.00 H new ATOM 0 HD22 LEU A 84 7.838 8.851 -8.523 1.00 0.00 H new ATOM 0 HD23 LEU A 84 9.017 7.519 -8.553 1.00 0.00 H new ATOM 1360 N HIS A 85 9.156 5.517 -4.006 1.00 0.00 N ATOM 1361 CA HIS A 85 9.255 5.190 -2.588 1.00 0.00 C ATOM 1362 C HIS A 85 10.695 5.318 -2.100 1.00 0.00 C ATOM 1363 O HIS A 85 10.948 5.834 -1.012 1.00 0.00 O ATOM 1364 CB HIS A 85 8.742 3.772 -2.333 1.00 0.00 C ATOM 1365 CG HIS A 85 9.179 3.204 -1.018 1.00 0.00 C ATOM 1366 ND1 HIS A 85 8.426 3.308 0.133 1.00 0.00 N ATOM 1367 CD2 HIS A 85 10.297 2.523 -0.675 1.00 0.00 C ATOM 1368 CE1 HIS A 85 9.064 2.716 1.128 1.00 0.00 C ATOM 1369 NE2 HIS A 85 10.201 2.231 0.664 1.00 0.00 N ATOM 0 H HIS A 85 9.258 4.718 -4.632 1.00 0.00 H new ATOM 0 HA HIS A 85 8.638 5.897 -2.033 1.00 0.00 H new ATOM 0 HB2 HIS A 85 7.653 3.776 -2.374 1.00 0.00 H new ATOM 0 HB3 HIS A 85 9.089 3.120 -3.134 1.00 0.00 H new ATOM 0 HD2 HIS A 85 11.113 2.258 -1.332 1.00 0.00 H new ATOM 0 HE1 HIS A 85 8.715 2.642 2.147 1.00 0.00 H new ATOM 0 HE2 HIS A 85 10.895 1.722 1.211 1.00 0.00 H new ATOM 1377 N MET A 86 11.634 4.844 -2.912 1.00 0.00 N ATOM 1378 CA MET A 86 13.049 4.906 -2.563 1.00 0.00 C ATOM 1379 C MET A 86 13.435 6.310 -2.109 1.00 0.00 C ATOM 1380 O MET A 86 14.373 6.486 -1.331 1.00 0.00 O ATOM 1381 CB MET A 86 13.910 4.489 -3.757 1.00 0.00 C ATOM 1382 CG MET A 86 13.672 3.056 -4.206 1.00 0.00 C ATOM 1383 SD MET A 86 14.908 1.912 -3.563 1.00 0.00 S ATOM 1384 CE MET A 86 14.667 2.111 -1.799 1.00 0.00 C ATOM 0 H MET A 86 11.441 4.413 -3.816 1.00 0.00 H new ATOM 0 HA MET A 86 13.225 4.215 -1.739 1.00 0.00 H new ATOM 0 HB2 MET A 86 13.709 5.161 -4.592 1.00 0.00 H new ATOM 0 HB3 MET A 86 14.961 4.610 -3.496 1.00 0.00 H new ATOM 0 HG2 MET A 86 12.682 2.737 -3.879 1.00 0.00 H new ATOM 0 HG3 MET A 86 13.677 3.015 -5.295 1.00 0.00 H new ATOM 0 HE1 MET A 86 15.015 1.217 -1.281 1.00 0.00 H new ATOM 0 HE2 MET A 86 15.232 2.976 -1.450 1.00 0.00 H new ATOM 0 HE3 MET A 86 13.608 2.262 -1.591 1.00 0.00 H new ATOM 1394 N VAL A 87 12.706 7.308 -2.599 1.00 0.00 N ATOM 1395 CA VAL A 87 12.972 8.696 -2.243 1.00 0.00 C ATOM 1396 C VAL A 87 12.997 8.880 -0.730 1.00 0.00 C ATOM 1397 O VAL A 87 13.755 9.697 -0.206 1.00 0.00 O ATOM 1398 CB VAL A 87 11.918 9.643 -2.847 1.00 0.00 C ATOM 1399 CG1 VAL A 87 11.720 9.348 -4.326 1.00 0.00 C ATOM 1400 CG2 VAL A 87 10.603 9.527 -2.091 1.00 0.00 C ATOM 0 H VAL A 87 11.926 7.180 -3.244 1.00 0.00 H new ATOM 0 HA VAL A 87 13.951 8.946 -2.653 1.00 0.00 H new ATOM 0 HB VAL A 87 12.277 10.668 -2.751 1.00 0.00 H new ATOM 0 HG11 VAL A 87 10.972 10.027 -4.735 1.00 0.00 H new ATOM 0 HG12 VAL A 87 12.663 9.486 -4.854 1.00 0.00 H new ATOM 0 HG13 VAL A 87 11.383 8.319 -4.450 1.00 0.00 H new ATOM 0 HG21 VAL A 87 9.870 10.203 -2.531 1.00 0.00 H new ATOM 0 HG22 VAL A 87 10.236 8.503 -2.154 1.00 0.00 H new ATOM 0 HG23 VAL A 87 10.760 9.792 -1.045 1.00 0.00 H new ATOM 1410 N SER A 88 12.164 8.115 -0.032 1.00 0.00 N ATOM 1411 CA SER A 88 12.087 8.195 1.422 1.00 0.00 C ATOM 1412 C SER A 88 13.393 7.733 2.061 1.00 0.00 C ATOM 1413 O SER A 88 13.768 8.195 3.139 1.00 0.00 O ATOM 1414 CB SER A 88 10.924 7.347 1.940 1.00 0.00 C ATOM 1415 OG SER A 88 10.592 7.697 3.273 1.00 0.00 O ATOM 0 H SER A 88 11.532 7.432 -0.450 1.00 0.00 H new ATOM 0 HA SER A 88 11.917 9.236 1.696 1.00 0.00 H new ATOM 0 HB2 SER A 88 10.055 7.485 1.297 1.00 0.00 H new ATOM 0 HB3 SER A 88 11.191 6.291 1.893 1.00 0.00 H new ATOM 0 HG SER A 88 9.845 7.142 3.581 1.00 0.00 H new ATOM 1421 N HIS A 89 14.083 6.817 1.388 1.00 0.00 N ATOM 1422 CA HIS A 89 15.348 6.292 1.889 1.00 0.00 C ATOM 1423 C HIS A 89 16.506 7.208 1.507 1.00 0.00 C ATOM 1424 O HIS A 89 17.263 7.661 2.366 1.00 0.00 O ATOM 1425 CB HIS A 89 15.593 4.885 1.341 1.00 0.00 C ATOM 1426 CG HIS A 89 14.686 3.848 1.927 1.00 0.00 C ATOM 1427 ND1 HIS A 89 14.549 3.648 3.284 1.00 0.00 N ATOM 1428 CD2 HIS A 89 13.865 2.951 1.331 1.00 0.00 C ATOM 1429 CE1 HIS A 89 13.685 2.671 3.499 1.00 0.00 C ATOM 1430 NE2 HIS A 89 13.255 2.232 2.330 1.00 0.00 N ATOM 0 H HIS A 89 13.787 6.423 0.495 1.00 0.00 H new ATOM 0 HA HIS A 89 15.289 6.245 2.976 1.00 0.00 H new ATOM 0 HB2 HIS A 89 15.465 4.898 0.259 1.00 0.00 H new ATOM 0 HB3 HIS A 89 16.628 4.603 1.536 1.00 0.00 H new ATOM 0 HD2 HIS A 89 13.717 2.825 0.269 1.00 0.00 H new ATOM 0 HE1 HIS A 89 13.382 2.296 4.465 1.00 0.00 H new ATOM 0 HE2 HIS A 89 12.579 1.481 2.191 1.00 0.00 H new ATOM 1438 N THR A 90 16.639 7.478 0.211 1.00 0.00 N ATOM 1439 CA THR A 90 17.706 8.338 -0.285 1.00 0.00 C ATOM 1440 C THR A 90 17.499 9.782 0.159 1.00 0.00 C ATOM 1441 O THR A 90 18.445 10.461 0.554 1.00 0.00 O ATOM 1442 CB THR A 90 17.795 8.293 -1.822 1.00 0.00 C ATOM 1443 OG1 THR A 90 18.833 9.167 -2.278 1.00 0.00 O ATOM 1444 CG2 THR A 90 16.471 8.696 -2.453 1.00 0.00 C ATOM 0 H THR A 90 16.021 7.113 -0.513 1.00 0.00 H new ATOM 0 HA THR A 90 18.638 7.961 0.136 1.00 0.00 H new ATOM 0 HB THR A 90 18.025 7.270 -2.121 1.00 0.00 H new ATOM 0 HG1 THR A 90 18.884 9.132 -3.256 1.00 0.00 H new ATOM 0 HG21 THR A 90 16.558 8.657 -3.539 1.00 0.00 H new ATOM 0 HG22 THR A 90 15.689 8.010 -2.127 1.00 0.00 H new ATOM 0 HG23 THR A 90 16.215 9.710 -2.146 1.00 0.00 H new ATOM 1452 N GLY A 91 16.254 10.244 0.091 1.00 0.00 N ATOM 1453 CA GLY A 91 15.946 11.605 0.490 1.00 0.00 C ATOM 1454 C GLY A 91 14.907 12.250 -0.406 1.00 0.00 C ATOM 1455 O GLY A 91 13.784 12.509 0.024 1.00 0.00 O ATOM 0 H GLY A 91 15.454 9.701 -0.233 1.00 0.00 H new ATOM 0 HA2 GLY A 91 15.586 11.606 1.519 1.00 0.00 H new ATOM 0 HA3 GLY A 91 16.858 12.201 0.471 1.00 0.00 H new ATOM 1505 N TYR A 95 15.184 14.649 -10.372 1.00 0.00 N ATOM 1506 CA TYR A 95 14.531 15.630 -11.232 1.00 0.00 C ATOM 1507 C TYR A 95 13.376 16.309 -10.504 1.00 0.00 C ATOM 1508 O TYR A 95 12.732 15.712 -9.640 1.00 0.00 O ATOM 1509 CB TYR A 95 14.020 14.960 -12.509 1.00 0.00 C ATOM 1510 CG TYR A 95 15.102 14.258 -13.298 1.00 0.00 C ATOM 1511 CD1 TYR A 95 15.889 14.954 -14.207 1.00 0.00 C ATOM 1512 CD2 TYR A 95 15.336 12.898 -13.137 1.00 0.00 C ATOM 1513 CE1 TYR A 95 16.878 14.317 -14.932 1.00 0.00 C ATOM 1514 CE2 TYR A 95 16.323 12.252 -13.855 1.00 0.00 C ATOM 1515 CZ TYR A 95 17.091 12.966 -14.752 1.00 0.00 C ATOM 1516 OH TYR A 95 18.075 12.327 -15.471 1.00 0.00 O ATOM 0 HA TYR A 95 15.266 16.390 -11.497 1.00 0.00 H new ATOM 0 HB2 TYR A 95 13.247 14.238 -12.246 1.00 0.00 H new ATOM 0 HB3 TYR A 95 13.551 15.713 -13.142 1.00 0.00 H new ATOM 0 HD1 TYR A 95 15.725 16.012 -14.350 1.00 0.00 H new ATOM 0 HD2 TYR A 95 14.735 12.336 -12.438 1.00 0.00 H new ATOM 0 HE1 TYR A 95 17.480 14.873 -15.635 1.00 0.00 H new ATOM 0 HE2 TYR A 95 16.493 11.195 -13.715 1.00 0.00 H new ATOM 0 HH TYR A 95 18.096 11.378 -15.226 1.00 0.00 H new ATOM 1526 N LYS A 96 13.117 17.563 -10.859 1.00 0.00 N ATOM 1527 CA LYS A 96 12.039 18.327 -10.243 1.00 0.00 C ATOM 1528 C LYS A 96 11.514 19.395 -11.197 1.00 0.00 C ATOM 1529 O LYS A 96 12.273 19.974 -11.975 1.00 0.00 O ATOM 1530 CB LYS A 96 12.524 18.980 -8.946 1.00 0.00 C ATOM 1531 CG LYS A 96 12.254 18.145 -7.707 1.00 0.00 C ATOM 1532 CD LYS A 96 13.200 18.506 -6.574 1.00 0.00 C ATOM 1533 CE LYS A 96 14.576 17.892 -6.779 1.00 0.00 C ATOM 1534 NZ LYS A 96 15.619 18.587 -5.974 1.00 0.00 N ATOM 0 H LYS A 96 13.640 18.072 -11.571 1.00 0.00 H new ATOM 0 HA LYS A 96 11.226 17.639 -10.014 1.00 0.00 H new ATOM 0 HB2 LYS A 96 13.595 19.167 -9.022 1.00 0.00 H new ATOM 0 HB3 LYS A 96 12.039 19.949 -8.833 1.00 0.00 H new ATOM 0 HG2 LYS A 96 11.224 18.295 -7.384 1.00 0.00 H new ATOM 0 HG3 LYS A 96 12.362 17.088 -7.949 1.00 0.00 H new ATOM 0 HD2 LYS A 96 13.291 19.590 -6.506 1.00 0.00 H new ATOM 0 HD3 LYS A 96 12.784 18.161 -5.627 1.00 0.00 H new ATOM 0 HE2 LYS A 96 14.548 16.838 -6.504 1.00 0.00 H new ATOM 0 HE3 LYS A 96 14.841 17.939 -7.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 16.543 18.139 -6.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 15.664 19.588 -6.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 15.380 18.520 -4.964 1.00 0.00 H new ATOM 1548 N CYS A 97 10.212 19.653 -11.131 1.00 0.00 N ATOM 1549 CA CYS A 97 9.586 20.653 -11.988 1.00 0.00 C ATOM 1550 C CYS A 97 9.815 22.059 -11.441 1.00 0.00 C ATOM 1551 O CYS A 97 10.503 22.241 -10.436 1.00 0.00 O ATOM 1552 CB CYS A 97 8.086 20.380 -12.112 1.00 0.00 C ATOM 1553 SG CYS A 97 7.386 20.800 -13.740 1.00 0.00 S ATOM 0 H CYS A 97 9.570 19.183 -10.493 1.00 0.00 H new ATOM 0 HA CYS A 97 10.044 20.588 -12.975 1.00 0.00 H new ATOM 0 HB2 CYS A 97 7.902 19.325 -11.911 1.00 0.00 H new ATOM 0 HB3 CYS A 97 7.560 20.948 -11.345 1.00 0.00 H new ATOM 0 HG CYS A 97 8.293 20.637 -14.657 1.00 0.00 H new ATOM 1558 N SER A 98 9.234 23.050 -12.109 1.00 0.00 N ATOM 1559 CA SER A 98 9.377 24.440 -11.692 1.00 0.00 C ATOM 1560 C SER A 98 8.012 25.079 -11.453 1.00 0.00 C ATOM 1561 O SER A 98 7.801 25.760 -10.450 1.00 0.00 O ATOM 1562 CB SER A 98 10.147 25.234 -12.749 1.00 0.00 C ATOM 1563 OG SER A 98 10.087 26.625 -12.486 1.00 0.00 O ATOM 0 H SER A 98 8.660 22.916 -12.941 1.00 0.00 H new ATOM 0 HA SER A 98 9.935 24.458 -10.756 1.00 0.00 H new ATOM 0 HB2 SER A 98 11.187 24.909 -12.767 1.00 0.00 H new ATOM 0 HB3 SER A 98 9.732 25.029 -13.736 1.00 0.00 H new ATOM 0 HG SER A 98 10.588 27.110 -13.175 1.00 0.00 H new ATOM 1569 N SER A 99 7.090 24.854 -12.383 1.00 0.00 N ATOM 1570 CA SER A 99 5.746 25.410 -12.277 1.00 0.00 C ATOM 1571 C SER A 99 4.983 24.771 -11.121 1.00 0.00 C ATOM 1572 O SER A 99 4.372 25.463 -10.306 1.00 0.00 O ATOM 1573 CB SER A 99 4.980 25.202 -13.585 1.00 0.00 C ATOM 1574 OG SER A 99 5.156 26.303 -14.459 1.00 0.00 O ATOM 0 H SER A 99 7.249 24.291 -13.218 1.00 0.00 H new ATOM 0 HA SER A 99 5.836 26.479 -12.083 1.00 0.00 H new ATOM 0 HB2 SER A 99 5.325 24.289 -14.071 1.00 0.00 H new ATOM 0 HB3 SER A 99 3.919 25.069 -13.372 1.00 0.00 H new ATOM 0 HG SER A 99 4.658 26.145 -15.288 1.00 0.00 H new ATOM 1580 N CYS A 100 5.023 23.444 -11.055 1.00 0.00 N ATOM 1581 CA CYS A 100 4.337 22.709 -10.000 1.00 0.00 C ATOM 1582 C CYS A 100 5.327 22.205 -8.954 1.00 0.00 C ATOM 1583 O CYS A 100 4.942 21.840 -7.844 1.00 0.00 O ATOM 1584 CB CYS A 100 3.561 21.530 -10.593 1.00 0.00 C ATOM 1585 SG CYS A 100 4.618 20.186 -11.222 1.00 0.00 S ATOM 0 H CYS A 100 5.524 22.856 -11.721 1.00 0.00 H new ATOM 0 HA CYS A 100 3.638 23.389 -9.514 1.00 0.00 H new ATOM 0 HB2 CYS A 100 2.894 21.127 -9.830 1.00 0.00 H new ATOM 0 HB3 CYS A 100 2.932 21.894 -11.406 1.00 0.00 H new ATOM 0 HG CYS A 100 5.492 20.673 -12.052 1.00 0.00 H new ATOM 1590 N SER A 101 6.606 22.190 -9.318 1.00 0.00 N ATOM 1591 CA SER A 101 7.652 21.729 -8.413 1.00 0.00 C ATOM 1592 C SER A 101 7.528 20.230 -8.158 1.00 0.00 C ATOM 1593 O SER A 101 7.859 19.744 -7.077 1.00 0.00 O ATOM 1594 CB SER A 101 7.582 22.490 -7.088 1.00 0.00 C ATOM 1595 OG SER A 101 7.638 23.890 -7.301 1.00 0.00 O ATOM 0 H SER A 101 6.942 22.492 -10.233 1.00 0.00 H new ATOM 0 HA SER A 101 8.616 21.922 -8.884 1.00 0.00 H new ATOM 0 HB2 SER A 101 6.659 22.235 -6.567 1.00 0.00 H new ATOM 0 HB3 SER A 101 8.407 22.183 -6.445 1.00 0.00 H new ATOM 0 HG SER A 101 7.590 24.354 -6.439 1.00 0.00 H new ATOM 1601 N GLN A 102 7.048 19.503 -9.162 1.00 0.00 N ATOM 1602 CA GLN A 102 6.878 18.059 -9.046 1.00 0.00 C ATOM 1603 C GLN A 102 8.225 17.366 -8.871 1.00 0.00 C ATOM 1604 O GLN A 102 9.257 18.021 -8.727 1.00 0.00 O ATOM 1605 CB GLN A 102 6.165 17.508 -10.282 1.00 0.00 C ATOM 1606 CG GLN A 102 4.655 17.420 -10.124 1.00 0.00 C ATOM 1607 CD GLN A 102 4.205 16.090 -9.552 1.00 0.00 C ATOM 1608 OE1 GLN A 102 4.632 15.690 -8.469 1.00 0.00 O ATOM 1609 NE2 GLN A 102 3.336 15.397 -10.279 1.00 0.00 N ATOM 0 H GLN A 102 6.770 19.890 -10.064 1.00 0.00 H new ATOM 0 HA GLN A 102 6.269 17.859 -8.164 1.00 0.00 H new ATOM 0 HB2 GLN A 102 6.396 18.142 -11.138 1.00 0.00 H new ATOM 0 HB3 GLN A 102 6.557 16.516 -10.506 1.00 0.00 H new ATOM 0 HG2 GLN A 102 4.314 18.225 -9.473 1.00 0.00 H new ATOM 0 HG3 GLN A 102 4.182 17.573 -11.094 1.00 0.00 H new ATOM 0 HE21 GLN A 102 3.008 15.767 -11.171 1.00 0.00 H new ATOM 0 HE22 GLN A 102 2.996 14.495 -9.945 1.00 0.00 H new ATOM 1618 N GLN A 103 8.207 16.037 -8.883 1.00 0.00 N ATOM 1619 CA GLN A 103 9.427 15.255 -8.723 1.00 0.00 C ATOM 1620 C GLN A 103 9.401 14.018 -9.615 1.00 0.00 C ATOM 1621 O GLN A 103 8.347 13.421 -9.836 1.00 0.00 O ATOM 1622 CB GLN A 103 9.606 14.841 -7.262 1.00 0.00 C ATOM 1623 CG GLN A 103 9.583 16.011 -6.291 1.00 0.00 C ATOM 1624 CD GLN A 103 9.867 15.591 -4.863 1.00 0.00 C ATOM 1625 OE1 GLN A 103 9.069 15.840 -3.959 1.00 0.00 O ATOM 1626 NE2 GLN A 103 11.010 14.948 -4.651 1.00 0.00 N ATOM 0 H GLN A 103 7.361 15.480 -9.002 1.00 0.00 H new ATOM 0 HA GLN A 103 10.270 15.879 -9.021 1.00 0.00 H new ATOM 0 HB2 GLN A 103 8.816 14.140 -6.992 1.00 0.00 H new ATOM 0 HB3 GLN A 103 10.552 14.311 -7.157 1.00 0.00 H new ATOM 0 HG2 GLN A 103 10.321 16.750 -6.602 1.00 0.00 H new ATOM 0 HG3 GLN A 103 8.608 16.496 -6.336 1.00 0.00 H new ATOM 0 HE21 GLN A 103 11.643 14.762 -5.429 1.00 0.00 H new ATOM 0 HE22 GLN A 103 11.255 14.640 -3.710 1.00 0.00 H new ATOM 1635 N PHE A 104 10.568 13.637 -10.124 1.00 0.00 N ATOM 1636 CA PHE A 104 10.679 12.471 -10.993 1.00 0.00 C ATOM 1637 C PHE A 104 12.033 11.788 -10.817 1.00 0.00 C ATOM 1638 O PHE A 104 12.979 12.385 -10.304 1.00 0.00 O ATOM 1639 CB PHE A 104 10.487 12.878 -12.455 1.00 0.00 C ATOM 1640 CG PHE A 104 9.279 13.740 -12.683 1.00 0.00 C ATOM 1641 CD1 PHE A 104 9.259 15.056 -12.250 1.00 0.00 C ATOM 1642 CD2 PHE A 104 8.163 13.236 -13.332 1.00 0.00 C ATOM 1643 CE1 PHE A 104 8.149 15.852 -12.458 1.00 0.00 C ATOM 1644 CE2 PHE A 104 7.050 14.027 -13.543 1.00 0.00 C ATOM 1645 CZ PHE A 104 7.043 15.337 -13.107 1.00 0.00 C ATOM 0 H PHE A 104 11.450 14.119 -9.950 1.00 0.00 H new ATOM 0 HA PHE A 104 9.897 11.765 -10.714 1.00 0.00 H new ATOM 0 HB2 PHE A 104 11.374 13.412 -12.795 1.00 0.00 H new ATOM 0 HB3 PHE A 104 10.403 11.979 -13.066 1.00 0.00 H new ATOM 0 HD1 PHE A 104 10.121 15.464 -11.744 1.00 0.00 H new ATOM 0 HD2 PHE A 104 8.163 12.213 -13.677 1.00 0.00 H new ATOM 0 HE1 PHE A 104 8.146 16.876 -12.114 1.00 0.00 H new ATOM 0 HE2 PHE A 104 6.186 13.621 -14.049 1.00 0.00 H new ATOM 0 HZ PHE A 104 6.175 15.958 -13.273 1.00 0.00 H new ATOM 1655 N MET A 105 12.116 10.533 -11.245 1.00 0.00 N ATOM 1656 CA MET A 105 13.353 9.769 -11.135 1.00 0.00 C ATOM 1657 C MET A 105 14.140 9.819 -12.441 1.00 0.00 C ATOM 1658 O MET A 105 15.363 9.682 -12.443 1.00 0.00 O ATOM 1659 CB MET A 105 13.049 8.316 -10.765 1.00 0.00 C ATOM 1660 CG MET A 105 13.034 8.061 -9.266 1.00 0.00 C ATOM 1661 SD MET A 105 14.561 8.578 -8.459 1.00 0.00 S ATOM 1662 CE MET A 105 13.942 9.090 -6.858 1.00 0.00 C ATOM 0 H MET A 105 11.342 10.024 -11.671 1.00 0.00 H new ATOM 0 HA MET A 105 13.959 10.217 -10.348 1.00 0.00 H new ATOM 0 HB2 MET A 105 12.081 8.038 -11.182 1.00 0.00 H new ATOM 0 HB3 MET A 105 13.793 7.668 -11.228 1.00 0.00 H new ATOM 0 HG2 MET A 105 12.194 8.592 -8.819 1.00 0.00 H new ATOM 0 HG3 MET A 105 12.873 6.999 -9.084 1.00 0.00 H new ATOM 0 HE1 MET A 105 14.748 9.552 -6.287 1.00 0.00 H new ATOM 0 HE2 MET A 105 13.134 9.809 -6.993 1.00 0.00 H new ATOM 0 HE3 MET A 105 13.567 8.221 -6.318 1.00 0.00 H new ATOM 1672 N GLN A 106 13.431 10.015 -13.547 1.00 0.00 N ATOM 1673 CA GLN A 106 14.064 10.081 -14.859 1.00 0.00 C ATOM 1674 C GLN A 106 13.869 11.456 -15.489 1.00 0.00 C ATOM 1675 O GLN A 106 12.971 12.206 -15.104 1.00 0.00 O ATOM 1676 CB GLN A 106 13.495 9.000 -15.779 1.00 0.00 C ATOM 1677 CG GLN A 106 13.416 7.628 -15.130 1.00 0.00 C ATOM 1678 CD GLN A 106 13.578 6.499 -16.129 1.00 0.00 C ATOM 1679 OE1 GLN A 106 14.482 6.519 -16.964 1.00 0.00 O ATOM 1680 NE2 GLN A 106 12.700 5.506 -16.048 1.00 0.00 N ATOM 0 H GLN A 106 12.418 10.131 -13.561 1.00 0.00 H new ATOM 0 HA GLN A 106 15.132 9.910 -14.727 1.00 0.00 H new ATOM 0 HB2 GLN A 106 12.497 9.298 -16.102 1.00 0.00 H new ATOM 0 HB3 GLN A 106 14.113 8.934 -16.674 1.00 0.00 H new ATOM 0 HG2 GLN A 106 14.190 7.546 -14.367 1.00 0.00 H new ATOM 0 HG3 GLN A 106 12.456 7.525 -14.623 1.00 0.00 H new ATOM 0 HE21 GLN A 106 11.966 5.530 -15.340 1.00 0.00 H new ATOM 0 HE22 GLN A 106 12.759 4.719 -16.694 1.00 0.00 H new ATOM 1689 N LYS A 107 14.715 11.783 -16.460 1.00 0.00 N ATOM 1690 CA LYS A 107 14.636 13.067 -17.145 1.00 0.00 C ATOM 1691 C LYS A 107 13.461 13.094 -18.117 1.00 0.00 C ATOM 1692 O LYS A 107 12.656 14.026 -18.108 1.00 0.00 O ATOM 1693 CB LYS A 107 15.940 13.349 -17.895 1.00 0.00 C ATOM 1694 CG LYS A 107 16.058 14.780 -18.393 1.00 0.00 C ATOM 1695 CD LYS A 107 17.469 15.093 -18.860 1.00 0.00 C ATOM 1696 CE LYS A 107 17.502 16.327 -19.748 1.00 0.00 C ATOM 1697 NZ LYS A 107 18.864 16.585 -20.290 1.00 0.00 N ATOM 0 H LYS A 107 15.464 11.175 -16.790 1.00 0.00 H new ATOM 0 HA LYS A 107 14.481 13.842 -16.395 1.00 0.00 H new ATOM 0 HB2 LYS A 107 16.782 13.131 -17.238 1.00 0.00 H new ATOM 0 HB3 LYS A 107 16.015 12.670 -18.744 1.00 0.00 H new ATOM 0 HG2 LYS A 107 15.358 14.940 -19.214 1.00 0.00 H new ATOM 0 HG3 LYS A 107 15.777 15.468 -17.596 1.00 0.00 H new ATOM 0 HD2 LYS A 107 18.113 15.249 -17.995 1.00 0.00 H new ATOM 0 HD3 LYS A 107 17.870 14.239 -19.407 1.00 0.00 H new ATOM 0 HE2 LYS A 107 16.801 16.199 -20.573 1.00 0.00 H new ATOM 0 HE3 LYS A 107 17.168 17.194 -19.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 18.844 17.434 -20.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 19.528 16.732 -19.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 19.173 15.769 -20.856 1.00 0.00 H new ATOM 1711 N LYS A 108 13.368 12.066 -18.953 1.00 0.00 N ATOM 1712 CA LYS A 108 12.289 11.970 -19.930 1.00 0.00 C ATOM 1713 C LYS A 108 10.928 12.023 -19.245 1.00 0.00 C ATOM 1714 O LYS A 108 9.981 12.609 -19.770 1.00 0.00 O ATOM 1715 CB LYS A 108 12.417 10.674 -20.734 1.00 0.00 C ATOM 1716 CG LYS A 108 12.131 9.423 -19.922 1.00 0.00 C ATOM 1717 CD LYS A 108 11.945 8.208 -20.815 1.00 0.00 C ATOM 1718 CE LYS A 108 13.281 7.617 -21.238 1.00 0.00 C ATOM 1719 NZ LYS A 108 13.174 6.864 -22.519 1.00 0.00 N ATOM 0 H LYS A 108 14.026 11.287 -18.974 1.00 0.00 H new ATOM 0 HA LYS A 108 12.368 12.821 -20.607 1.00 0.00 H new ATOM 0 HB2 LYS A 108 11.731 10.712 -21.580 1.00 0.00 H new ATOM 0 HB3 LYS A 108 13.425 10.609 -21.143 1.00 0.00 H new ATOM 0 HG2 LYS A 108 12.952 9.243 -19.228 1.00 0.00 H new ATOM 0 HG3 LYS A 108 11.234 9.575 -19.322 1.00 0.00 H new ATOM 0 HD2 LYS A 108 11.363 7.453 -20.287 1.00 0.00 H new ATOM 0 HD3 LYS A 108 11.374 8.490 -21.700 1.00 0.00 H new ATOM 0 HE2 LYS A 108 14.014 8.417 -21.347 1.00 0.00 H new ATOM 0 HE3 LYS A 108 13.648 6.953 -20.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 14.105 6.477 -22.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 12.494 6.085 -22.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 12.848 7.504 -23.271 1.00 0.00 H new ATOM 1733 N ASP A 109 10.838 11.410 -18.070 1.00 0.00 N ATOM 1734 CA ASP A 109 9.592 11.390 -17.311 1.00 0.00 C ATOM 1735 C ASP A 109 9.125 12.808 -16.996 1.00 0.00 C ATOM 1736 O ASP A 109 7.927 13.090 -16.987 1.00 0.00 O ATOM 1737 CB ASP A 109 9.773 10.599 -16.015 1.00 0.00 C ATOM 1738 CG ASP A 109 8.493 9.918 -15.569 1.00 0.00 C ATOM 1739 OD1 ASP A 109 7.532 10.633 -15.217 1.00 0.00 O ATOM 1740 OD2 ASP A 109 8.453 8.669 -15.572 1.00 0.00 O ATOM 0 H ASP A 109 11.613 10.920 -17.622 1.00 0.00 H new ATOM 0 HA ASP A 109 8.831 10.904 -17.921 1.00 0.00 H new ATOM 0 HB2 ASP A 109 10.550 9.848 -16.156 1.00 0.00 H new ATOM 0 HB3 ASP A 109 10.117 11.270 -15.228 1.00 0.00 H new ATOM 1745 N LEU A 110 10.079 13.695 -16.736 1.00 0.00 N ATOM 1746 CA LEU A 110 9.766 15.084 -16.419 1.00 0.00 C ATOM 1747 C LEU A 110 9.397 15.860 -17.679 1.00 0.00 C ATOM 1748 O LEU A 110 8.356 16.514 -17.733 1.00 0.00 O ATOM 1749 CB LEU A 110 10.956 15.750 -15.726 1.00 0.00 C ATOM 1750 CG LEU A 110 10.910 17.276 -15.632 1.00 0.00 C ATOM 1751 CD1 LEU A 110 9.697 17.725 -14.833 1.00 0.00 C ATOM 1752 CD2 LEU A 110 12.190 17.810 -15.007 1.00 0.00 C ATOM 0 H LEU A 110 11.075 13.477 -16.738 1.00 0.00 H new ATOM 0 HA LEU A 110 8.909 15.093 -15.745 1.00 0.00 H new ATOM 0 HB2 LEU A 110 11.036 15.346 -14.717 1.00 0.00 H new ATOM 0 HB3 LEU A 110 11.865 15.466 -16.256 1.00 0.00 H new ATOM 0 HG LEU A 110 10.825 17.681 -16.640 1.00 0.00 H new ATOM 0 HD11 LEU A 110 9.681 18.813 -14.777 1.00 0.00 H new ATOM 0 HD12 LEU A 110 8.789 17.374 -15.322 1.00 0.00 H new ATOM 0 HD13 LEU A 110 9.751 17.310 -13.826 1.00 0.00 H new ATOM 0 HD21 LEU A 110 12.140 18.897 -14.948 1.00 0.00 H new ATOM 0 HD22 LEU A 110 12.305 17.397 -14.005 1.00 0.00 H new ATOM 0 HD23 LEU A 110 13.043 17.519 -15.620 1.00 0.00 H new ATOM 1764 N GLN A 111 10.256 15.781 -18.690 1.00 0.00 N ATOM 1765 CA GLN A 111 10.019 16.476 -19.950 1.00 0.00 C ATOM 1766 C GLN A 111 8.598 16.231 -20.447 1.00 0.00 C ATOM 1767 O GLN A 111 7.875 17.170 -20.778 1.00 0.00 O ATOM 1768 CB GLN A 111 11.027 16.019 -21.006 1.00 0.00 C ATOM 1769 CG GLN A 111 12.467 16.360 -20.659 1.00 0.00 C ATOM 1770 CD GLN A 111 13.329 16.572 -21.888 1.00 0.00 C ATOM 1771 OE1 GLN A 111 12.833 16.945 -22.951 1.00 0.00 O ATOM 1772 NE2 GLN A 111 14.628 16.333 -21.748 1.00 0.00 N ATOM 0 H GLN A 111 11.122 15.243 -18.661 1.00 0.00 H new ATOM 0 HA GLN A 111 10.145 17.545 -19.776 1.00 0.00 H new ATOM 0 HB2 GLN A 111 10.939 14.941 -21.138 1.00 0.00 H new ATOM 0 HB3 GLN A 111 10.773 16.478 -21.961 1.00 0.00 H new ATOM 0 HG2 GLN A 111 12.485 17.262 -20.047 1.00 0.00 H new ATOM 0 HG3 GLN A 111 12.891 15.557 -20.056 1.00 0.00 H new ATOM 0 HE21 GLN A 111 14.996 16.025 -20.848 1.00 0.00 H new ATOM 0 HE22 GLN A 111 15.258 16.457 -22.541 1.00 0.00 H new ATOM 1781 N SER A 112 8.204 14.962 -20.496 1.00 0.00 N ATOM 1782 CA SER A 112 6.870 14.593 -20.957 1.00 0.00 C ATOM 1783 C SER A 112 5.798 15.195 -20.054 1.00 0.00 C ATOM 1784 O SER A 112 4.790 15.717 -20.531 1.00 0.00 O ATOM 1785 CB SER A 112 6.725 13.071 -20.997 1.00 0.00 C ATOM 1786 OG SER A 112 5.700 12.680 -21.895 1.00 0.00 O ATOM 0 H SER A 112 8.789 14.173 -20.222 1.00 0.00 H new ATOM 0 HA SER A 112 6.737 14.990 -21.963 1.00 0.00 H new ATOM 0 HB2 SER A 112 7.670 12.620 -21.300 1.00 0.00 H new ATOM 0 HB3 SER A 112 6.500 12.698 -19.998 1.00 0.00 H new ATOM 0 HG SER A 112 5.628 11.703 -21.904 1.00 0.00 H new ATOM 1792 N HIS A 113 6.023 15.116 -18.746 1.00 0.00 N ATOM 1793 CA HIS A 113 5.076 15.653 -17.774 1.00 0.00 C ATOM 1794 C HIS A 113 4.848 17.144 -18.004 1.00 0.00 C ATOM 1795 O HIS A 113 3.731 17.640 -17.859 1.00 0.00 O ATOM 1796 CB HIS A 113 5.584 15.417 -16.352 1.00 0.00 C ATOM 1797 CG HIS A 113 5.164 16.477 -15.382 1.00 0.00 C ATOM 1798 ND1 HIS A 113 5.736 17.662 -15.062 1.00 0.00 N flip ATOM 1799 CD2 HIS A 113 4.028 16.380 -14.606 1.00 0.00 C flip ATOM 1800 CE1 HIS A 113 4.943 18.253 -14.110 1.00 0.00 C flip ATOM 1801 NE2 HIS A 113 3.919 17.460 -13.853 1.00 0.00 N flip ATOM 0 H HIS A 113 6.852 14.686 -18.335 1.00 0.00 H new ATOM 0 HA HIS A 113 4.126 15.134 -17.904 1.00 0.00 H new ATOM 0 HB2 HIS A 113 5.221 14.451 -16.001 1.00 0.00 H new ATOM 0 HB3 HIS A 113 6.672 15.362 -16.368 1.00 0.00 H new ATOM 0 HD2 HIS A 113 3.336 15.551 -14.613 1.00 0.00 H new ATOM 0 HE1 HIS A 113 5.127 19.211 -13.646 1.00 0.00 H new ATOM 0 HE2 HIS A 113 3.171 17.649 -13.186 1.00 0.00 H new ATOM 1809 N MET A 114 5.914 17.852 -18.363 1.00 0.00 N ATOM 1810 CA MET A 114 5.828 19.286 -18.614 1.00 0.00 C ATOM 1811 C MET A 114 5.244 19.563 -19.995 1.00 0.00 C ATOM 1812 O MET A 114 4.674 20.628 -20.236 1.00 0.00 O ATOM 1813 CB MET A 114 7.211 19.930 -18.493 1.00 0.00 C ATOM 1814 CG MET A 114 7.857 19.731 -17.132 1.00 0.00 C ATOM 1815 SD MET A 114 9.135 20.954 -16.784 1.00 0.00 S ATOM 1816 CE MET A 114 8.139 22.420 -16.523 1.00 0.00 C ATOM 0 H MET A 114 6.846 17.457 -18.486 1.00 0.00 H new ATOM 0 HA MET A 114 5.165 19.721 -17.866 1.00 0.00 H new ATOM 0 HB2 MET A 114 7.864 19.515 -19.260 1.00 0.00 H new ATOM 0 HB3 MET A 114 7.124 20.998 -18.692 1.00 0.00 H new ATOM 0 HG2 MET A 114 7.090 19.783 -16.359 1.00 0.00 H new ATOM 0 HG3 MET A 114 8.292 18.733 -17.083 1.00 0.00 H new ATOM 0 HE1 MET A 114 8.340 23.142 -17.315 1.00 0.00 H new ATOM 0 HE2 MET A 114 7.083 22.150 -16.537 1.00 0.00 H new ATOM 0 HE3 MET A 114 8.387 22.862 -15.558 1.00 0.00 H new ATOM 1826 N ILE A 115 5.391 18.600 -20.899 1.00 0.00 N ATOM 1827 CA ILE A 115 4.877 18.741 -22.255 1.00 0.00 C ATOM 1828 C ILE A 115 3.378 18.469 -22.306 1.00 0.00 C ATOM 1829 O ILE A 115 2.659 19.041 -23.126 1.00 0.00 O ATOM 1830 CB ILE A 115 5.594 17.788 -23.230 1.00 0.00 C ATOM 1831 CG1 ILE A 115 7.078 18.145 -23.328 1.00 0.00 C ATOM 1832 CG2 ILE A 115 4.938 17.843 -24.602 1.00 0.00 C ATOM 1833 CD1 ILE A 115 7.968 16.955 -23.613 1.00 0.00 C ATOM 0 H ILE A 115 5.862 17.714 -20.716 1.00 0.00 H new ATOM 0 HA ILE A 115 5.067 19.770 -22.559 1.00 0.00 H new ATOM 0 HB ILE A 115 5.510 16.770 -22.849 1.00 0.00 H new ATOM 0 HG12 ILE A 115 7.214 18.887 -24.115 1.00 0.00 H new ATOM 0 HG13 ILE A 115 7.394 18.610 -22.394 1.00 0.00 H new ATOM 0 HG21 ILE A 115 5.455 17.164 -25.280 1.00 0.00 H new ATOM 0 HG22 ILE A 115 3.893 17.545 -24.518 1.00 0.00 H new ATOM 0 HG23 ILE A 115 4.995 18.859 -24.992 1.00 0.00 H new ATOM 0 HD11 ILE A 115 9.006 17.282 -23.669 1.00 0.00 H new ATOM 0 HD12 ILE A 115 7.861 16.221 -22.814 1.00 0.00 H new ATOM 0 HD13 ILE A 115 7.678 16.503 -24.562 1.00 0.00 H new ATOM 1845 N LYS A 116 2.910 17.593 -21.423 1.00 0.00 N ATOM 1846 CA LYS A 116 1.495 17.246 -21.364 1.00 0.00 C ATOM 1847 C LYS A 116 0.733 18.221 -20.472 1.00 0.00 C ATOM 1848 O LYS A 116 -0.199 18.890 -20.921 1.00 0.00 O ATOM 1849 CB LYS A 116 1.320 15.818 -20.843 1.00 0.00 C ATOM 1850 CG LYS A 116 1.356 14.763 -21.935 1.00 0.00 C ATOM 1851 CD LYS A 116 2.773 14.284 -22.202 1.00 0.00 C ATOM 1852 CE LYS A 116 2.894 13.639 -23.573 1.00 0.00 C ATOM 1853 NZ LYS A 116 4.242 13.852 -24.170 1.00 0.00 N ATOM 0 H LYS A 116 3.491 17.110 -20.738 1.00 0.00 H new ATOM 0 HA LYS A 116 1.088 17.310 -22.373 1.00 0.00 H new ATOM 0 HB2 LYS A 116 2.106 15.606 -20.118 1.00 0.00 H new ATOM 0 HB3 LYS A 116 0.370 15.748 -20.313 1.00 0.00 H new ATOM 0 HG2 LYS A 116 0.734 13.917 -21.645 1.00 0.00 H new ATOM 0 HG3 LYS A 116 0.931 15.172 -22.851 1.00 0.00 H new ATOM 0 HD2 LYS A 116 3.462 15.126 -22.133 1.00 0.00 H new ATOM 0 HD3 LYS A 116 3.067 13.568 -21.435 1.00 0.00 H new ATOM 0 HE2 LYS A 116 2.699 12.570 -23.490 1.00 0.00 H new ATOM 0 HE3 LYS A 116 2.134 14.051 -24.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 4.306 13.340 -25.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 4.392 14.868 -24.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 4.970 13.497 -23.518 1.00 0.00 H new ATOM 1867 N LEU A 117 1.136 18.298 -19.208 1.00 0.00 N ATOM 1868 CA LEU A 117 0.491 19.193 -18.253 1.00 0.00 C ATOM 1869 C LEU A 117 0.892 20.642 -18.509 1.00 0.00 C ATOM 1870 O LEU A 117 0.039 21.511 -18.690 1.00 0.00 O ATOM 1871 CB LEU A 117 0.859 18.795 -16.823 1.00 0.00 C ATOM 1872 CG LEU A 117 0.840 17.297 -16.517 1.00 0.00 C ATOM 1873 CD1 LEU A 117 0.748 17.059 -15.018 1.00 0.00 C ATOM 1874 CD2 LEU A 117 -0.316 16.620 -17.239 1.00 0.00 C ATOM 0 H LEU A 117 1.906 17.752 -18.821 1.00 0.00 H new ATOM 0 HA LEU A 117 -0.588 19.106 -18.382 1.00 0.00 H new ATOM 0 HB2 LEU A 117 1.857 19.177 -16.606 1.00 0.00 H new ATOM 0 HB3 LEU A 117 0.171 19.294 -16.140 1.00 0.00 H new ATOM 0 HG LEU A 117 1.772 16.860 -16.876 1.00 0.00 H new ATOM 0 HD11 LEU A 117 0.736 15.987 -14.820 1.00 0.00 H new ATOM 0 HD12 LEU A 117 1.609 17.509 -14.525 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -0.167 17.510 -14.634 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -0.314 15.554 -17.010 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -1.258 17.060 -16.911 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -0.205 16.760 -18.314 1.00 0.00 H new ATOM 1886 N HIS A 118 2.197 20.896 -18.525 1.00 0.00 N ATOM 1887 CA HIS A 118 2.712 22.240 -18.762 1.00 0.00 C ATOM 1888 C HIS A 118 2.940 22.480 -20.252 1.00 0.00 C ATOM 1889 O HIS A 118 3.889 23.159 -20.643 1.00 0.00 O ATOM 1890 CB HIS A 118 4.017 22.451 -17.994 1.00 0.00 C ATOM 1891 CG HIS A 118 3.885 22.238 -16.518 1.00 0.00 C ATOM 1892 ND1 HIS A 118 2.944 22.885 -15.745 1.00 0.00 N ATOM 1893 CD2 HIS A 118 4.580 21.440 -15.673 1.00 0.00 C ATOM 1894 CE1 HIS A 118 3.068 22.497 -14.488 1.00 0.00 C ATOM 1895 NE2 HIS A 118 4.053 21.620 -14.418 1.00 0.00 N ATOM 0 H HIS A 118 2.917 20.189 -18.377 1.00 0.00 H new ATOM 0 HA HIS A 118 1.970 22.955 -18.406 1.00 0.00 H new ATOM 0 HB2 HIS A 118 4.773 21.770 -18.385 1.00 0.00 H new ATOM 0 HB3 HIS A 118 4.376 23.464 -18.176 1.00 0.00 H new ATOM 0 HD2 HIS A 118 5.397 20.784 -15.937 1.00 0.00 H new ATOM 0 HE1 HIS A 118 2.466 22.839 -13.659 1.00 0.00 H new ATOM 0 HE2 HIS A 118 4.371 21.152 -13.569 1.00 0.00 H new