USER MOD reduce.3.24.130724 H: found=0, std=0, add=1017, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1013 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 35 ASN : amide:sc= 0.66 K(o=1.6,f=-3.8) USER MOD Set 1.2: A 38 LYS NZ :NH3+ 173:sc= 0.985 (180deg=0) USER MOD Set 1.3: A 41 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 23 MET CE :methyl -120:sc= 0 (180deg=-0.00817) USER MOD Set 2.2: A 53 MET CE :methyl 166:sc= -3.4 (180deg=-4.4!) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -0.094 K(o=-0.094,f=-1.7!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -160:sc= 1.24 (180deg=0.969) USER MOD Single : A 21 LYS NZ :NH3+ -120:sc= 0.0345 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot -138:sc= 1.33 USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0.16) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -1.33 X(o=-1.3,f=-1.3) USER MOD Single : A 48 THR OG1 : rot -58:sc= 1.31 USER MOD Single : A 56 SER OG : rot 179:sc= 1.25 USER MOD Single : A 57 THR OG1 : rot -24:sc= 0.399 USER MOD Single : A 58 LYS NZ :NH3+ -156:sc= 1.25 (180deg=1.11) USER MOD Single : A 60 ASN : amide:sc= 0.116 K(o=0.12,f=-0.71) USER MOD Single : A 61 MET CE :methyl -147:sc= -1.02 (180deg=-4.89!) USER MOD Single : A 67 ASN :FLIP amide:sc= -0.568 F(o=-1.2,f=-0.57) USER MOD Single : A 69 HIS : no HD1:sc= -0.345 X(o=-0.35,f=-0.22) USER MOD Single : A 70 HIS : no HD1:sc= -0.0476 X(o=-0.048,f=0) USER MOD Single : A 72 ASN : amide:sc= -0.0636 K(o=-0.064,f=-3) USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 171:sc= 0.415 (180deg=0.231) USER MOD Single : A 80 HIS :FLIP no HD1:sc= -0.334 F(o=-0.86,f=-0.33) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0.0679 USER MOD Single : A 86 MET CE :methyl -162:sc=-0.00431 (180deg=-0.436) USER MOD Single : A 88 GLN : amide:sc= -0.28 X(o=-0.28,f=-0.28) USER MOD Single : A 89 GLN : amide:sc= -0.111 K(o=-0.11,f=-1.4) USER MOD Single : A 95 HIS : no HD1:sc= -0.0114 X(o=-0.011,f=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot 169:sc= 0.217 USER MOD Single : A 101 THR OG1 : rot 73:sc= 1.16 USER MOD Single : A 104 ASN : amide:sc= 0.629 K(o=0.63,f=-7.3!) USER MOD Single : A 107 LYS NZ :NH3+ 163:sc= -0.0224 (180deg=-0.217) USER MOD Single : A 111 THR OG1 : rot 69:sc= 1.29 USER MOD Single : A 116 THR OG1 : rot 62:sc= 0.335 USER MOD Single : A 119 LYS NZ :NH3+ -107:sc= 0.374 (180deg=-0.038) USER MOD Single : A 123 HIS : no HD1:sc= -0.0519 X(o=-0.052,f=0) USER MOD Single : A 124 LYS NZ :NH3+ -157:sc= 1.22 (180deg=0.712) USER MOD Single : A 126 ASN : amide:sc= -0.46 X(o=-0.46,f=-0.7) USER MOD Single : A 130 SER OG : rot 180:sc= 0.00993 USER MOD Single : A 131 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 113 N LEU A 8 2.003 6.222 10.289 1.00 0.00 N ATOM 114 CA LEU A 8 1.662 6.334 8.872 1.00 0.00 C ATOM 115 C LEU A 8 1.554 7.800 8.461 1.00 0.00 C ATOM 116 O LEU A 8 0.774 8.542 9.063 1.00 0.00 O ATOM 117 CB LEU A 8 0.362 5.544 8.624 1.00 0.00 C ATOM 118 CG LEU A 8 -0.299 5.695 7.242 1.00 0.00 C ATOM 119 CD1 LEU A 8 -1.179 6.945 7.134 1.00 0.00 C ATOM 120 CD2 LEU A 8 0.697 5.650 6.082 1.00 0.00 C ATOM 0 HA LEU A 8 2.448 5.906 8.250 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.573 4.487 8.784 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -0.364 5.842 9.380 1.00 0.00 H new ATOM 0 HG LEU A 8 -0.943 4.820 7.154 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -1.617 6.996 6.137 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.974 6.896 7.878 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -0.572 7.833 7.310 1.00 0.00 H new ATOM 0 HD21 LEU A 8 0.162 5.762 5.139 1.00 0.00 H new ATOM 0 HD22 LEU A 8 1.418 6.461 6.189 1.00 0.00 H new ATOM 0 HD23 LEU A 8 1.222 4.695 6.090 1.00 0.00 H new ATOM 132 N SER A 9 2.344 8.205 7.463 1.00 0.00 N ATOM 133 CA SER A 9 2.521 9.594 7.074 1.00 0.00 C ATOM 134 C SER A 9 1.784 9.952 5.780 1.00 0.00 C ATOM 135 O SER A 9 1.440 11.123 5.591 1.00 0.00 O ATOM 136 CB SER A 9 4.031 9.853 6.963 1.00 0.00 C ATOM 137 OG SER A 9 4.397 11.072 7.576 1.00 0.00 O ATOM 0 H SER A 9 2.888 7.556 6.894 1.00 0.00 H new ATOM 0 HA SER A 9 2.078 10.240 7.832 1.00 0.00 H new ATOM 0 HB2 SER A 9 4.576 9.033 7.429 1.00 0.00 H new ATOM 0 HB3 SER A 9 4.321 9.872 5.912 1.00 0.00 H new ATOM 0 HG SER A 9 5.364 11.205 7.489 1.00 0.00 H new ATOM 143 N LEU A 10 1.518 8.993 4.887 1.00 0.00 N ATOM 144 CA LEU A 10 0.704 9.267 3.705 1.00 0.00 C ATOM 145 C LEU A 10 -0.727 9.614 4.103 1.00 0.00 C ATOM 146 O LEU A 10 -1.306 8.903 4.916 1.00 0.00 O ATOM 147 CB LEU A 10 0.710 8.116 2.690 1.00 0.00 C ATOM 148 CG LEU A 10 1.988 7.890 1.859 1.00 0.00 C ATOM 149 CD1 LEU A 10 1.675 7.005 0.649 1.00 0.00 C ATOM 150 CD2 LEU A 10 2.612 9.187 1.323 1.00 0.00 C ATOM 0 H LEU A 10 1.851 8.032 4.961 1.00 0.00 H new ATOM 0 HA LEU A 10 1.160 10.125 3.211 1.00 0.00 H new ATOM 0 HB2 LEU A 10 0.496 7.194 3.230 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -0.115 8.278 1.996 1.00 0.00 H new ATOM 0 HG LEU A 10 2.699 7.421 2.539 1.00 0.00 H new ATOM 0 HD11 LEU A 10 2.583 6.850 0.067 1.00 0.00 H new ATOM 0 HD12 LEU A 10 1.295 6.042 0.991 1.00 0.00 H new ATOM 0 HD13 LEU A 10 0.924 7.492 0.027 1.00 0.00 H new ATOM 0 HD21 LEU A 10 3.507 8.950 0.748 1.00 0.00 H new ATOM 0 HD22 LEU A 10 1.894 9.698 0.682 1.00 0.00 H new ATOM 0 HD23 LEU A 10 2.878 9.835 2.158 1.00 0.00 H new ATOM 162 N ASN A 11 -1.324 10.666 3.529 1.00 0.00 N ATOM 163 CA ASN A 11 -2.636 11.187 3.943 1.00 0.00 C ATOM 164 C ASN A 11 -3.820 10.310 3.489 1.00 0.00 C ATOM 165 O ASN A 11 -4.768 10.779 2.856 1.00 0.00 O ATOM 166 CB ASN A 11 -2.812 12.646 3.480 1.00 0.00 C ATOM 167 CG ASN A 11 -3.957 13.326 4.228 1.00 0.00 C ATOM 168 OD1 ASN A 11 -4.382 12.868 5.289 1.00 0.00 O ATOM 169 ND2 ASN A 11 -4.482 14.427 3.715 1.00 0.00 N ATOM 0 H ASN A 11 -0.907 11.186 2.757 1.00 0.00 H new ATOM 0 HA ASN A 11 -2.648 11.157 5.033 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -1.887 13.198 3.646 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -3.009 12.669 2.408 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -5.244 14.902 4.199 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -4.125 14.801 2.836 1.00 0.00 H new ATOM 176 N PHE A 12 -3.746 9.002 3.744 1.00 0.00 N ATOM 177 CA PHE A 12 -4.560 7.956 3.142 1.00 0.00 C ATOM 178 C PHE A 12 -6.044 8.173 3.381 1.00 0.00 C ATOM 179 O PHE A 12 -6.842 7.754 2.545 1.00 0.00 O ATOM 180 CB PHE A 12 -4.137 6.581 3.680 1.00 0.00 C ATOM 181 CG PHE A 12 -3.054 5.911 2.861 1.00 0.00 C ATOM 182 CD1 PHE A 12 -3.328 5.488 1.548 1.00 0.00 C ATOM 183 CD2 PHE A 12 -1.771 5.720 3.397 1.00 0.00 C ATOM 184 CE1 PHE A 12 -2.321 4.881 0.780 1.00 0.00 C ATOM 185 CE2 PHE A 12 -0.771 5.096 2.633 1.00 0.00 C ATOM 186 CZ PHE A 12 -1.047 4.670 1.331 1.00 0.00 C ATOM 0 H PHE A 12 -3.076 8.628 4.416 1.00 0.00 H new ATOM 0 HA PHE A 12 -4.393 7.996 2.066 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -3.786 6.695 4.706 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -5.010 5.930 3.713 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -4.314 5.630 1.130 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -1.552 6.054 4.400 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -2.527 4.576 -0.235 1.00 0.00 H new ATOM 0 HE2 PHE A 12 0.213 4.945 3.052 1.00 0.00 H new ATOM 0 HZ PHE A 12 -0.281 4.179 0.749 1.00 0.00 H new ATOM 196 N GLY A 13 -6.407 8.863 4.465 1.00 0.00 N ATOM 197 CA GLY A 13 -7.787 9.203 4.779 1.00 0.00 C ATOM 198 C GLY A 13 -8.513 9.830 3.586 1.00 0.00 C ATOM 199 O GLY A 13 -9.677 9.527 3.342 1.00 0.00 O ATOM 0 H GLY A 13 -5.738 9.203 5.155 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -8.318 8.305 5.094 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -7.806 9.897 5.620 1.00 0.00 H new ATOM 203 N LYS A 14 -7.842 10.673 2.792 1.00 0.00 N ATOM 204 CA LYS A 14 -8.432 11.243 1.581 1.00 0.00 C ATOM 205 C LYS A 14 -8.623 10.174 0.518 1.00 0.00 C ATOM 206 O LYS A 14 -9.750 9.958 0.088 1.00 0.00 O ATOM 207 CB LYS A 14 -7.552 12.397 1.055 1.00 0.00 C ATOM 208 CG LYS A 14 -8.134 13.773 1.397 1.00 0.00 C ATOM 209 CD LYS A 14 -9.286 14.174 0.460 1.00 0.00 C ATOM 210 CE LYS A 14 -8.801 14.647 -0.919 1.00 0.00 C ATOM 211 NZ LYS A 14 -8.282 16.030 -0.895 1.00 0.00 N ATOM 0 H LYS A 14 -6.884 10.975 2.971 1.00 0.00 H new ATOM 0 HA LYS A 14 -9.415 11.644 1.827 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -6.552 12.312 1.480 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -7.447 12.308 -0.026 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -8.492 13.767 2.426 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -7.345 14.523 1.339 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -9.955 13.323 0.332 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -9.867 14.969 0.927 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -8.020 13.976 -1.275 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -9.624 14.584 -1.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -7.968 16.300 -1.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -9.033 16.677 -0.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -7.479 16.088 -0.237 1.00 0.00 H new ATOM 225 N ALA A 15 -7.554 9.514 0.060 1.00 0.00 N ATOM 226 CA ALA A 15 -7.680 8.573 -1.041 1.00 0.00 C ATOM 227 C ALA A 15 -8.624 7.407 -0.704 1.00 0.00 C ATOM 228 O ALA A 15 -9.345 6.942 -1.584 1.00 0.00 O ATOM 229 CB ALA A 15 -6.297 8.077 -1.402 1.00 0.00 C ATOM 0 H ALA A 15 -6.610 9.616 0.432 1.00 0.00 H new ATOM 0 HA ALA A 15 -8.128 9.081 -1.895 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -6.368 7.369 -2.227 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.674 8.920 -1.701 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.850 7.584 -0.538 1.00 0.00 H new ATOM 235 N LEU A 16 -8.661 6.945 0.553 1.00 0.00 N ATOM 236 CA LEU A 16 -9.597 5.920 1.019 1.00 0.00 C ATOM 237 C LEU A 16 -11.032 6.411 0.888 1.00 0.00 C ATOM 238 O LEU A 16 -11.872 5.655 0.418 1.00 0.00 O ATOM 239 CB LEU A 16 -9.329 5.521 2.486 1.00 0.00 C ATOM 240 CG LEU A 16 -8.167 4.527 2.662 1.00 0.00 C ATOM 241 CD1 LEU A 16 -7.839 4.308 4.136 1.00 0.00 C ATOM 242 CD2 LEU A 16 -8.506 3.130 2.136 1.00 0.00 C ATOM 0 H LEU A 16 -8.032 7.279 1.283 1.00 0.00 H new ATOM 0 HA LEU A 16 -9.448 5.041 0.391 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -9.115 6.421 3.063 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -10.235 5.083 2.904 1.00 0.00 H new ATOM 0 HG LEU A 16 -7.340 4.973 2.110 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -7.014 3.601 4.224 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -7.553 5.257 4.590 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -8.715 3.910 4.648 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -7.653 2.468 2.284 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -9.368 2.737 2.676 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -8.739 3.188 1.073 1.00 0.00 H new ATOM 254 N ASP A 17 -11.314 7.667 1.240 1.00 0.00 N ATOM 255 CA ASP A 17 -12.647 8.279 1.147 1.00 0.00 C ATOM 256 C ASP A 17 -13.137 8.396 -0.289 1.00 0.00 C ATOM 257 O ASP A 17 -14.310 8.680 -0.509 1.00 0.00 O ATOM 258 CB ASP A 17 -12.581 9.722 1.679 1.00 0.00 C ATOM 259 CG ASP A 17 -13.946 10.311 2.040 1.00 0.00 C ATOM 260 OD1 ASP A 17 -14.608 9.768 2.945 1.00 0.00 O ATOM 261 OD2 ASP A 17 -14.318 11.387 1.522 1.00 0.00 O ATOM 0 H ASP A 17 -10.607 8.304 1.607 1.00 0.00 H new ATOM 0 HA ASP A 17 -13.319 7.639 1.719 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -11.941 9.745 2.561 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -12.110 10.355 0.927 1.00 0.00 H new ATOM 266 N GLU A 18 -12.256 8.229 -1.274 1.00 0.00 N ATOM 267 CA GLU A 18 -12.634 8.181 -2.674 1.00 0.00 C ATOM 268 C GLU A 18 -12.753 6.718 -3.060 1.00 0.00 C ATOM 269 O GLU A 18 -13.827 6.302 -3.470 1.00 0.00 O ATOM 270 CB GLU A 18 -11.655 8.987 -3.548 1.00 0.00 C ATOM 271 CG GLU A 18 -11.523 10.433 -3.022 1.00 0.00 C ATOM 272 CD GLU A 18 -11.581 11.556 -4.059 1.00 0.00 C ATOM 273 OE1 GLU A 18 -11.049 11.429 -5.180 1.00 0.00 O ATOM 274 OE2 GLU A 18 -12.092 12.652 -3.714 1.00 0.00 O ATOM 0 H GLU A 18 -11.254 8.123 -1.115 1.00 0.00 H new ATOM 0 HA GLU A 18 -13.598 8.661 -2.843 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -10.678 8.504 -3.550 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -12.006 9.000 -4.580 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -12.316 10.603 -2.294 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -10.577 10.514 -2.487 1.00 0.00 H new ATOM 281 N CYS A 19 -11.720 5.900 -2.832 1.00 0.00 N ATOM 282 CA CYS A 19 -11.717 4.474 -3.116 1.00 0.00 C ATOM 283 C CYS A 19 -12.959 3.756 -2.587 1.00 0.00 C ATOM 284 O CYS A 19 -13.589 2.975 -3.302 1.00 0.00 O ATOM 285 CB CYS A 19 -10.446 3.876 -2.508 1.00 0.00 C ATOM 286 SG CYS A 19 -8.958 4.135 -3.498 1.00 0.00 S ATOM 0 H CYS A 19 -10.841 6.228 -2.433 1.00 0.00 H new ATOM 0 HA CYS A 19 -11.735 4.335 -4.197 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -10.291 4.309 -1.520 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -10.593 2.805 -2.367 1.00 0.00 H new ATOM 291 N LYS A 20 -13.330 4.022 -1.336 1.00 0.00 N ATOM 292 CA LYS A 20 -14.473 3.406 -0.683 1.00 0.00 C ATOM 293 C LYS A 20 -15.781 3.778 -1.380 1.00 0.00 C ATOM 294 O LYS A 20 -16.736 3.003 -1.328 1.00 0.00 O ATOM 295 CB LYS A 20 -14.445 3.777 0.812 1.00 0.00 C ATOM 296 CG LYS A 20 -14.876 5.212 1.145 1.00 0.00 C ATOM 297 CD LYS A 20 -16.343 5.348 1.551 1.00 0.00 C ATOM 298 CE LYS A 20 -16.494 4.701 2.947 1.00 0.00 C ATOM 299 NZ LYS A 20 -17.859 4.710 3.494 1.00 0.00 N ATOM 0 H LYS A 20 -12.833 4.684 -0.741 1.00 0.00 H new ATOM 0 HA LYS A 20 -14.412 2.321 -0.761 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -15.093 3.087 1.352 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -13.433 3.624 1.188 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -14.250 5.589 1.954 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -14.691 5.845 0.278 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -16.639 6.397 1.579 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -16.990 4.854 0.826 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -16.148 3.669 2.891 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -15.836 5.220 3.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -17.821 4.581 4.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -18.314 5.619 3.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -18.409 3.936 3.068 1.00 0.00 H new ATOM 313 N LYS A 21 -15.856 4.943 -2.029 1.00 0.00 N ATOM 314 CA LYS A 21 -17.025 5.382 -2.765 1.00 0.00 C ATOM 315 C LYS A 21 -16.940 4.961 -4.233 1.00 0.00 C ATOM 316 O LYS A 21 -17.974 4.769 -4.863 1.00 0.00 O ATOM 317 CB LYS A 21 -17.150 6.906 -2.701 1.00 0.00 C ATOM 318 CG LYS A 21 -17.203 7.437 -1.267 1.00 0.00 C ATOM 319 CD LYS A 21 -17.372 8.955 -1.315 1.00 0.00 C ATOM 320 CE LYS A 21 -17.286 9.550 0.090 1.00 0.00 C ATOM 321 NZ LYS A 21 -17.240 11.019 0.026 1.00 0.00 N ATOM 0 H LYS A 21 -15.088 5.613 -2.053 1.00 0.00 H new ATOM 0 HA LYS A 21 -17.897 4.915 -2.307 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -16.304 7.357 -3.220 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -18.051 7.215 -3.231 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -18.032 6.981 -0.725 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -16.290 7.175 -0.733 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -16.601 9.392 -1.949 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -18.333 9.205 -1.764 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -18.147 9.233 0.679 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -16.397 9.174 0.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -16.358 11.358 0.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -17.277 11.325 -0.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -18.053 11.415 0.540 1.00 0.00 H new ATOM 335 N GLU A 22 -15.732 4.855 -4.796 1.00 0.00 N ATOM 336 CA GLU A 22 -15.502 4.520 -6.193 1.00 0.00 C ATOM 337 C GLU A 22 -15.941 3.079 -6.427 1.00 0.00 C ATOM 338 O GLU A 22 -16.878 2.820 -7.188 1.00 0.00 O ATOM 339 CB GLU A 22 -14.024 4.673 -6.616 1.00 0.00 C ATOM 340 CG GLU A 22 -13.484 6.101 -6.811 1.00 0.00 C ATOM 341 CD GLU A 22 -12.446 6.149 -7.941 1.00 0.00 C ATOM 342 OE1 GLU A 22 -11.519 5.313 -7.967 1.00 0.00 O ATOM 343 OE2 GLU A 22 -12.561 6.988 -8.868 1.00 0.00 O ATOM 0 H GLU A 22 -14.869 5.005 -4.274 1.00 0.00 H new ATOM 0 HA GLU A 22 -16.081 5.218 -6.797 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -13.407 4.180 -5.865 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -13.884 4.130 -7.551 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -14.308 6.777 -7.041 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -13.033 6.453 -5.883 1.00 0.00 H new ATOM 350 N MET A 23 -15.262 2.147 -5.752 1.00 0.00 N ATOM 351 CA MET A 23 -15.501 0.717 -5.903 1.00 0.00 C ATOM 352 C MET A 23 -16.839 0.332 -5.275 1.00 0.00 C ATOM 353 O MET A 23 -17.341 -0.770 -5.521 1.00 0.00 O ATOM 354 CB MET A 23 -14.416 -0.118 -5.205 1.00 0.00 C ATOM 355 CG MET A 23 -12.994 0.443 -5.128 1.00 0.00 C ATOM 356 SD MET A 23 -11.716 -0.687 -5.709 1.00 0.00 S ATOM 357 CE MET A 23 -12.091 -0.596 -7.476 1.00 0.00 C ATOM 0 H MET A 23 -14.526 2.370 -5.081 1.00 0.00 H new ATOM 0 HA MET A 23 -15.494 0.512 -6.974 1.00 0.00 H new ATOM 0 HB2 MET A 23 -14.751 -0.310 -4.186 1.00 0.00 H new ATOM 0 HB3 MET A 23 -14.364 -1.082 -5.711 1.00 0.00 H new ATOM 0 HG2 MET A 23 -12.946 1.360 -5.716 1.00 0.00 H new ATOM 0 HG3 MET A 23 -12.779 0.715 -4.095 1.00 0.00 H new ATOM 0 HE1 MET A 23 -12.349 -1.589 -7.845 1.00 0.00 H new ATOM 0 HE2 MET A 23 -12.931 0.080 -7.635 1.00 0.00 H new ATOM 0 HE3 MET A 23 -11.219 -0.224 -8.014 1.00 0.00 H new ATOM 367 N THR A 24 -17.359 1.231 -4.438 1.00 0.00 N ATOM 368 CA THR A 24 -18.463 1.043 -3.527 1.00 0.00 C ATOM 369 C THR A 24 -18.109 -0.123 -2.597 1.00 0.00 C ATOM 370 O THR A 24 -18.573 -1.255 -2.753 1.00 0.00 O ATOM 371 CB THR A 24 -19.781 0.970 -4.316 1.00 0.00 C ATOM 372 OG1 THR A 24 -19.737 1.905 -5.379 1.00 0.00 O ATOM 373 CG2 THR A 24 -20.971 1.326 -3.440 1.00 0.00 C ATOM 0 H THR A 24 -16.983 2.178 -4.384 1.00 0.00 H new ATOM 0 HA THR A 24 -18.635 1.886 -2.858 1.00 0.00 H new ATOM 0 HB THR A 24 -19.895 -0.050 -4.683 1.00 0.00 H new ATOM 0 HG1 THR A 24 -20.574 1.862 -5.887 1.00 0.00 H new ATOM 0 HG21 THR A 24 -21.887 1.265 -4.028 1.00 0.00 H new ATOM 0 HG22 THR A 24 -21.029 0.629 -2.604 1.00 0.00 H new ATOM 0 HG23 THR A 24 -20.852 2.340 -3.059 1.00 0.00 H new ATOM 381 N LEU A 25 -17.163 0.141 -1.686 1.00 0.00 N ATOM 382 CA LEU A 25 -16.741 -0.795 -0.649 1.00 0.00 C ATOM 383 C LEU A 25 -17.591 -0.583 0.600 1.00 0.00 C ATOM 384 O LEU A 25 -18.385 0.359 0.695 1.00 0.00 O ATOM 385 CB LEU A 25 -15.252 -0.616 -0.280 1.00 0.00 C ATOM 386 CG LEU A 25 -14.261 -0.643 -1.457 1.00 0.00 C ATOM 387 CD1 LEU A 25 -12.835 -0.412 -0.961 1.00 0.00 C ATOM 388 CD2 LEU A 25 -14.317 -1.980 -2.199 1.00 0.00 C ATOM 0 H LEU A 25 -16.663 1.030 -1.653 1.00 0.00 H new ATOM 0 HA LEU A 25 -16.874 -1.804 -1.040 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -15.139 0.333 0.244 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -14.974 -1.402 0.422 1.00 0.00 H new ATOM 0 HG LEU A 25 -14.548 0.155 -2.142 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -12.148 -0.434 -1.807 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -12.774 0.559 -0.469 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -12.565 -1.195 -0.253 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -13.606 -1.968 -3.025 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -14.063 -2.788 -1.513 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -15.323 -2.138 -2.589 1.00 0.00 H new ATOM 400 N THR A 26 -17.351 -1.437 1.582 1.00 0.00 N ATOM 401 CA THR A 26 -17.834 -1.317 2.942 1.00 0.00 C ATOM 402 C THR A 26 -17.248 -0.055 3.591 1.00 0.00 C ATOM 403 O THR A 26 -16.248 0.507 3.140 1.00 0.00 O ATOM 404 CB THR A 26 -17.471 -2.626 3.681 1.00 0.00 C ATOM 405 OG1 THR A 26 -16.204 -3.122 3.274 1.00 0.00 O ATOM 406 CG2 THR A 26 -18.511 -3.704 3.380 1.00 0.00 C ATOM 0 H THR A 26 -16.785 -2.274 1.441 1.00 0.00 H new ATOM 0 HA THR A 26 -18.916 -1.195 2.986 1.00 0.00 H new ATOM 0 HB THR A 26 -17.445 -2.395 4.746 1.00 0.00 H new ATOM 0 HG1 THR A 26 -16.252 -4.095 3.170 1.00 0.00 H new ATOM 0 HG21 THR A 26 -18.246 -4.622 3.905 1.00 0.00 H new ATOM 0 HG22 THR A 26 -19.492 -3.366 3.713 1.00 0.00 H new ATOM 0 HG23 THR A 26 -18.537 -3.895 2.307 1.00 0.00 H new ATOM 414 N ASP A 27 -17.887 0.416 4.656 1.00 0.00 N ATOM 415 CA ASP A 27 -17.433 1.570 5.425 1.00 0.00 C ATOM 416 C ASP A 27 -16.360 1.161 6.435 1.00 0.00 C ATOM 417 O ASP A 27 -15.421 1.911 6.700 1.00 0.00 O ATOM 418 CB ASP A 27 -18.641 2.187 6.127 1.00 0.00 C ATOM 419 CG ASP A 27 -18.245 3.423 6.920 1.00 0.00 C ATOM 420 OD1 ASP A 27 -17.810 4.410 6.279 1.00 0.00 O ATOM 421 OD2 ASP A 27 -18.400 3.405 8.162 1.00 0.00 O ATOM 0 H ASP A 27 -18.747 0.001 5.015 1.00 0.00 H new ATOM 0 HA ASP A 27 -16.983 2.306 4.758 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -19.397 2.453 5.389 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -19.091 1.452 6.795 1.00 0.00 H new ATOM 426 N ALA A 28 -16.453 -0.067 6.955 1.00 0.00 N ATOM 427 CA ALA A 28 -15.527 -0.616 7.943 1.00 0.00 C ATOM 428 C ALA A 28 -14.102 -0.817 7.396 1.00 0.00 C ATOM 429 O ALA A 28 -13.192 -1.116 8.173 1.00 0.00 O ATOM 430 CB ALA A 28 -16.117 -1.912 8.505 1.00 0.00 C ATOM 0 H ALA A 28 -17.192 -0.719 6.693 1.00 0.00 H new ATOM 0 HA ALA A 28 -15.414 0.112 8.747 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -15.435 -2.332 9.244 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -17.077 -1.700 8.976 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -16.260 -2.628 7.695 1.00 0.00 H new ATOM 436 N ILE A 29 -13.879 -0.606 6.090 1.00 0.00 N ATOM 437 CA ILE A 29 -12.548 -0.430 5.512 1.00 0.00 C ATOM 438 C ILE A 29 -11.712 0.574 6.308 1.00 0.00 C ATOM 439 O ILE A 29 -10.502 0.388 6.400 1.00 0.00 O ATOM 440 CB ILE A 29 -12.623 -0.151 3.999 1.00 0.00 C ATOM 441 CG1 ILE A 29 -13.130 1.251 3.614 1.00 0.00 C ATOM 442 CG2 ILE A 29 -13.389 -1.254 3.257 1.00 0.00 C ATOM 443 CD1 ILE A 29 -11.913 2.156 3.456 1.00 0.00 C ATOM 0 H ILE A 29 -14.630 -0.553 5.402 1.00 0.00 H new ATOM 0 HA ILE A 29 -12.006 -1.372 5.599 1.00 0.00 H new ATOM 0 HB ILE A 29 -11.585 -0.165 3.668 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -13.700 1.210 2.686 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -13.799 1.640 4.382 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -13.421 -1.022 2.192 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -12.886 -2.209 3.405 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -14.406 -1.315 3.645 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -12.239 3.160 3.183 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -11.365 2.196 4.397 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -11.264 1.760 2.675 1.00 0.00 H new ATOM 455 N ASN A 30 -12.332 1.593 6.917 1.00 0.00 N ATOM 456 CA ASN A 30 -11.609 2.676 7.583 1.00 0.00 C ATOM 457 C ASN A 30 -10.720 2.182 8.737 1.00 0.00 C ATOM 458 O ASN A 30 -9.728 2.823 9.082 1.00 0.00 O ATOM 459 CB ASN A 30 -12.614 3.724 8.089 1.00 0.00 C ATOM 460 CG ASN A 30 -12.048 5.140 8.042 1.00 0.00 C ATOM 461 OD1 ASN A 30 -10.847 5.366 8.145 1.00 0.00 O ATOM 462 ND2 ASN A 30 -12.878 6.144 7.814 1.00 0.00 N ATOM 0 H ASN A 30 -13.347 1.687 6.960 1.00 0.00 H new ATOM 0 HA ASN A 30 -10.939 3.123 6.849 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -13.520 3.677 7.484 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -12.901 3.484 9.113 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -12.517 7.094 7.726 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -13.879 5.968 7.726 1.00 0.00 H new ATOM 469 N GLU A 31 -11.042 1.022 9.316 1.00 0.00 N ATOM 470 CA GLU A 31 -10.221 0.376 10.337 1.00 0.00 C ATOM 471 C GLU A 31 -9.557 -0.888 9.793 1.00 0.00 C ATOM 472 O GLU A 31 -8.377 -1.105 10.057 1.00 0.00 O ATOM 473 CB GLU A 31 -11.058 0.057 11.579 1.00 0.00 C ATOM 474 CG GLU A 31 -11.581 1.327 12.264 1.00 0.00 C ATOM 475 CD GLU A 31 -12.127 0.992 13.648 1.00 0.00 C ATOM 476 OE1 GLU A 31 -13.190 0.342 13.745 1.00 0.00 O ATOM 477 OE2 GLU A 31 -11.440 1.300 14.654 1.00 0.00 O ATOM 0 H GLU A 31 -11.889 0.502 9.085 1.00 0.00 H new ATOM 0 HA GLU A 31 -9.431 1.071 10.623 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -11.900 -0.575 11.296 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -10.455 -0.513 12.285 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -10.779 2.060 12.349 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -12.364 1.781 11.656 1.00 0.00 H new ATOM 484 N ASP A 32 -10.279 -1.704 9.017 1.00 0.00 N ATOM 485 CA ASP A 32 -9.799 -2.987 8.483 1.00 0.00 C ATOM 486 C ASP A 32 -8.520 -2.842 7.669 1.00 0.00 C ATOM 487 O ASP A 32 -7.614 -3.673 7.756 1.00 0.00 O ATOM 488 CB ASP A 32 -10.888 -3.584 7.598 1.00 0.00 C ATOM 489 CG ASP A 32 -10.513 -4.949 7.015 1.00 0.00 C ATOM 490 OD1 ASP A 32 -10.496 -5.921 7.807 1.00 0.00 O ATOM 491 OD2 ASP A 32 -10.406 -5.076 5.773 1.00 0.00 O ATOM 0 H ASP A 32 -11.235 -1.487 8.735 1.00 0.00 H new ATOM 0 HA ASP A 32 -9.573 -3.636 9.329 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -11.805 -3.684 8.179 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -11.102 -2.894 6.782 1.00 0.00 H new ATOM 496 N PHE A 33 -8.444 -1.750 6.913 1.00 0.00 N ATOM 497 CA PHE A 33 -7.294 -1.374 6.122 1.00 0.00 C ATOM 498 C PHE A 33 -6.041 -1.239 6.992 1.00 0.00 C ATOM 499 O PHE A 33 -4.989 -1.764 6.627 1.00 0.00 O ATOM 500 CB PHE A 33 -7.634 -0.053 5.435 1.00 0.00 C ATOM 501 CG PHE A 33 -6.540 0.463 4.534 1.00 0.00 C ATOM 502 CD1 PHE A 33 -6.443 -0.012 3.216 1.00 0.00 C ATOM 503 CD2 PHE A 33 -5.619 1.414 5.011 1.00 0.00 C ATOM 504 CE1 PHE A 33 -5.438 0.486 2.374 1.00 0.00 C ATOM 505 CE2 PHE A 33 -4.637 1.938 4.160 1.00 0.00 C ATOM 506 CZ PHE A 33 -4.548 1.470 2.842 1.00 0.00 C ATOM 0 H PHE A 33 -9.213 -1.084 6.837 1.00 0.00 H new ATOM 0 HA PHE A 33 -7.072 -2.144 5.383 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -8.544 -0.183 4.849 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -7.849 0.697 6.196 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -7.137 -0.755 2.853 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -5.669 1.742 6.039 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -5.347 0.113 1.364 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -3.955 2.696 4.516 1.00 0.00 H new ATOM 0 HZ PHE A 33 -3.791 1.867 2.181 1.00 0.00 H new ATOM 516 N TYR A 34 -6.151 -0.533 8.120 1.00 0.00 N ATOM 517 CA TYR A 34 -5.060 -0.297 9.065 1.00 0.00 C ATOM 518 C TYR A 34 -4.772 -1.556 9.897 1.00 0.00 C ATOM 519 O TYR A 34 -3.615 -1.877 10.183 1.00 0.00 O ATOM 520 CB TYR A 34 -5.402 0.903 9.969 1.00 0.00 C ATOM 521 CG TYR A 34 -5.415 2.252 9.255 1.00 0.00 C ATOM 522 CD1 TYR A 34 -6.472 2.606 8.391 1.00 0.00 C ATOM 523 CD2 TYR A 34 -4.325 3.134 9.399 1.00 0.00 C ATOM 524 CE1 TYR A 34 -6.398 3.771 7.602 1.00 0.00 C ATOM 525 CE2 TYR A 34 -4.239 4.303 8.621 1.00 0.00 C ATOM 526 CZ TYR A 34 -5.269 4.616 7.703 1.00 0.00 C ATOM 527 OH TYR A 34 -5.172 5.728 6.925 1.00 0.00 O ATOM 0 H TYR A 34 -7.027 -0.098 8.408 1.00 0.00 H new ATOM 0 HA TYR A 34 -4.154 -0.063 8.506 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -6.381 0.735 10.419 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -4.679 0.945 10.784 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -7.348 1.977 8.334 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -3.547 2.910 10.114 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -7.201 4.018 6.923 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -3.388 4.960 8.724 1.00 0.00 H new ATOM 0 HH TYR A 34 -4.333 6.194 7.124 1.00 0.00 H new ATOM 537 N ASN A 35 -5.817 -2.306 10.266 1.00 0.00 N ATOM 538 CA ASN A 35 -5.694 -3.589 10.962 1.00 0.00 C ATOM 539 C ASN A 35 -4.831 -4.565 10.174 1.00 0.00 C ATOM 540 O ASN A 35 -4.182 -5.394 10.800 1.00 0.00 O ATOM 541 CB ASN A 35 -7.044 -4.296 11.176 1.00 0.00 C ATOM 542 CG ASN A 35 -7.974 -3.637 12.178 1.00 0.00 C ATOM 543 OD1 ASN A 35 -7.543 -2.993 13.129 1.00 0.00 O ATOM 544 ND2 ASN A 35 -9.269 -3.820 12.007 1.00 0.00 N ATOM 0 H ASN A 35 -6.784 -2.034 10.087 1.00 0.00 H new ATOM 0 HA ASN A 35 -5.249 -3.336 11.924 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -7.558 -4.359 10.217 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -6.852 -5.318 11.502 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -9.932 -3.423 12.672 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -9.607 -4.359 11.210 1.00 0.00 H new ATOM 551 N PHE A 36 -4.822 -4.499 8.836 1.00 0.00 N ATOM 552 CA PHE A 36 -4.113 -5.449 7.982 1.00 0.00 C ATOM 553 C PHE A 36 -2.665 -5.663 8.436 1.00 0.00 C ATOM 554 O PHE A 36 -2.165 -6.787 8.402 1.00 0.00 O ATOM 555 CB PHE A 36 -4.169 -4.984 6.520 1.00 0.00 C ATOM 556 CG PHE A 36 -3.465 -5.853 5.483 1.00 0.00 C ATOM 557 CD1 PHE A 36 -3.359 -7.253 5.621 1.00 0.00 C ATOM 558 CD2 PHE A 36 -2.916 -5.239 4.342 1.00 0.00 C ATOM 559 CE1 PHE A 36 -2.714 -8.024 4.639 1.00 0.00 C ATOM 560 CE2 PHE A 36 -2.280 -6.009 3.353 1.00 0.00 C ATOM 561 CZ PHE A 36 -2.176 -7.402 3.501 1.00 0.00 C ATOM 0 H PHE A 36 -5.314 -3.774 8.314 1.00 0.00 H new ATOM 0 HA PHE A 36 -4.614 -6.413 8.067 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -5.217 -4.898 6.233 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -3.741 -3.983 6.468 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -3.778 -7.737 6.491 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.984 -4.167 4.225 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -2.632 -9.094 4.760 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -1.870 -5.528 2.477 1.00 0.00 H new ATOM 0 HZ PHE A 36 -1.684 -7.992 2.742 1.00 0.00 H new ATOM 571 N TRP A 37 -1.983 -4.602 8.863 1.00 0.00 N ATOM 572 CA TRP A 37 -0.565 -4.656 9.197 1.00 0.00 C ATOM 573 C TRP A 37 -0.333 -5.195 10.614 1.00 0.00 C ATOM 574 O TRP A 37 0.761 -5.676 10.907 1.00 0.00 O ATOM 575 CB TRP A 37 0.038 -3.252 9.037 1.00 0.00 C ATOM 576 CG TRP A 37 -0.584 -2.401 7.969 1.00 0.00 C ATOM 577 CD1 TRP A 37 -0.880 -2.793 6.709 1.00 0.00 C ATOM 578 CD2 TRP A 37 -1.041 -1.022 8.080 1.00 0.00 C ATOM 579 NE1 TRP A 37 -1.549 -1.777 6.062 1.00 0.00 N ATOM 580 CE2 TRP A 37 -1.644 -0.645 6.846 1.00 0.00 C ATOM 581 CE3 TRP A 37 -1.012 -0.053 9.105 1.00 0.00 C ATOM 582 CZ2 TRP A 37 -2.182 0.636 6.639 1.00 0.00 C ATOM 583 CZ3 TRP A 37 -1.534 1.236 8.904 1.00 0.00 C ATOM 584 CH2 TRP A 37 -2.098 1.588 7.665 1.00 0.00 C ATOM 0 H TRP A 37 -2.401 -3.680 8.987 1.00 0.00 H new ATOM 0 HA TRP A 37 -0.070 -5.348 8.515 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -0.046 -2.729 9.989 1.00 0.00 H new ATOM 0 HB3 TRP A 37 1.102 -3.354 8.822 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -0.631 -3.751 6.278 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -1.928 -1.852 5.118 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -0.581 -0.307 10.062 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -2.655 0.885 5.700 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -1.502 1.960 9.705 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -2.466 2.590 7.504 1.00 0.00 H new ATOM 595 N LYS A 38 -1.348 -5.141 11.487 1.00 0.00 N ATOM 596 CA LYS A 38 -1.227 -5.494 12.899 1.00 0.00 C ATOM 597 C LYS A 38 -0.753 -6.937 13.026 1.00 0.00 C ATOM 598 O LYS A 38 -1.174 -7.812 12.266 1.00 0.00 O ATOM 599 CB LYS A 38 -2.573 -5.302 13.625 1.00 0.00 C ATOM 600 CG LYS A 38 -3.007 -3.833 13.698 1.00 0.00 C ATOM 601 CD LYS A 38 -4.387 -3.733 14.350 1.00 0.00 C ATOM 602 CE LYS A 38 -4.734 -2.290 14.721 1.00 0.00 C ATOM 603 NZ LYS A 38 -6.039 -2.208 15.402 1.00 0.00 N ATOM 0 H LYS A 38 -2.288 -4.846 11.223 1.00 0.00 H new ATOM 0 HA LYS A 38 -0.495 -4.836 13.367 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -3.343 -5.878 13.111 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -2.496 -5.703 14.635 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -2.281 -3.258 14.272 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -3.035 -3.402 12.697 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -5.141 -4.125 13.668 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -4.413 -4.355 15.245 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -3.958 -1.883 15.369 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -4.753 -1.676 13.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -6.191 -1.238 15.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -6.795 -2.462 14.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -6.052 -2.866 16.207 1.00 0.00 H new ATOM 617 N GLU A 39 0.114 -7.198 13.996 1.00 0.00 N ATOM 618 CA GLU A 39 0.558 -8.536 14.348 1.00 0.00 C ATOM 619 C GLU A 39 -0.637 -9.363 14.811 1.00 0.00 C ATOM 620 O GLU A 39 -1.666 -8.817 15.218 1.00 0.00 O ATOM 621 CB GLU A 39 1.623 -8.478 15.457 1.00 0.00 C ATOM 622 CG GLU A 39 2.994 -8.030 14.933 1.00 0.00 C ATOM 623 CD GLU A 39 3.159 -6.523 14.666 1.00 0.00 C ATOM 624 OE1 GLU A 39 2.240 -5.706 14.920 1.00 0.00 O ATOM 625 OE2 GLU A 39 4.270 -6.128 14.244 1.00 0.00 O ATOM 0 H GLU A 39 0.536 -6.468 14.571 1.00 0.00 H new ATOM 0 HA GLU A 39 1.004 -9.003 13.470 1.00 0.00 H new ATOM 0 HB2 GLU A 39 1.294 -7.791 16.237 1.00 0.00 H new ATOM 0 HB3 GLU A 39 1.717 -9.462 15.917 1.00 0.00 H new ATOM 0 HG2 GLU A 39 3.753 -8.336 15.653 1.00 0.00 H new ATOM 0 HG3 GLU A 39 3.199 -8.567 14.007 1.00 0.00 H new ATOM 632 N GLY A 40 -0.498 -10.686 14.745 1.00 0.00 N ATOM 633 CA GLY A 40 -1.515 -11.642 15.176 1.00 0.00 C ATOM 634 C GLY A 40 -2.759 -11.686 14.280 1.00 0.00 C ATOM 635 O GLY A 40 -3.595 -12.568 14.462 1.00 0.00 O ATOM 0 H GLY A 40 0.344 -11.133 14.382 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -1.071 -12.637 15.210 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -1.822 -11.395 16.192 1.00 0.00 H new ATOM 639 N TYR A 41 -2.892 -10.768 13.326 1.00 0.00 N ATOM 640 CA TYR A 41 -4.123 -10.466 12.616 1.00 0.00 C ATOM 641 C TYR A 41 -4.077 -11.089 11.213 1.00 0.00 C ATOM 642 O TYR A 41 -3.167 -10.787 10.432 1.00 0.00 O ATOM 643 CB TYR A 41 -4.244 -8.932 12.571 1.00 0.00 C ATOM 644 CG TYR A 41 -5.525 -8.300 13.088 1.00 0.00 C ATOM 645 CD1 TYR A 41 -6.776 -8.527 12.483 1.00 0.00 C ATOM 646 CD2 TYR A 41 -5.426 -7.367 14.133 1.00 0.00 C ATOM 647 CE1 TYR A 41 -7.896 -7.765 12.864 1.00 0.00 C ATOM 648 CE2 TYR A 41 -6.532 -6.601 14.519 1.00 0.00 C ATOM 649 CZ TYR A 41 -7.782 -6.793 13.887 1.00 0.00 C ATOM 650 OH TYR A 41 -8.859 -6.029 14.228 1.00 0.00 O ATOM 0 H TYR A 41 -2.109 -10.192 13.017 1.00 0.00 H new ATOM 0 HA TYR A 41 -4.998 -10.885 13.113 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -3.413 -8.515 13.140 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -4.111 -8.617 11.536 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -6.876 -9.289 11.724 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -4.484 -7.239 14.646 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -8.846 -7.922 12.374 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -6.430 -5.862 15.300 1.00 0.00 H new ATOM 0 HH TYR A 41 -8.608 -5.413 14.948 1.00 0.00 H new ATOM 660 N GLU A 42 -5.061 -11.925 10.867 1.00 0.00 N ATOM 661 CA GLU A 42 -5.257 -12.511 9.536 1.00 0.00 C ATOM 662 C GLU A 42 -6.404 -11.772 8.828 1.00 0.00 C ATOM 663 O GLU A 42 -7.574 -12.021 9.126 1.00 0.00 O ATOM 664 CB GLU A 42 -5.578 -14.012 9.645 1.00 0.00 C ATOM 665 CG GLU A 42 -4.374 -14.961 9.722 1.00 0.00 C ATOM 666 CD GLU A 42 -3.297 -14.606 10.757 1.00 0.00 C ATOM 667 OE1 GLU A 42 -3.466 -14.917 11.964 1.00 0.00 O ATOM 668 OE2 GLU A 42 -2.221 -14.128 10.336 1.00 0.00 O ATOM 0 H GLU A 42 -5.772 -12.225 11.534 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.339 -12.404 8.958 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -6.193 -14.167 10.532 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -6.183 -14.296 8.784 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.741 -15.964 9.940 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.905 -15.000 8.739 1.00 0.00 H new ATOM 675 N ILE A 43 -6.106 -10.840 7.918 1.00 0.00 N ATOM 676 CA ILE A 43 -7.098 -10.103 7.145 1.00 0.00 C ATOM 677 C ILE A 43 -7.124 -10.732 5.753 1.00 0.00 C ATOM 678 O ILE A 43 -6.166 -10.627 4.991 1.00 0.00 O ATOM 679 CB ILE A 43 -6.799 -8.597 7.139 1.00 0.00 C ATOM 680 CG1 ILE A 43 -6.812 -8.041 8.574 1.00 0.00 C ATOM 681 CG2 ILE A 43 -7.878 -7.841 6.346 1.00 0.00 C ATOM 682 CD1 ILE A 43 -5.563 -8.323 9.406 1.00 0.00 C ATOM 0 H ILE A 43 -5.146 -10.574 7.697 1.00 0.00 H new ATOM 0 HA ILE A 43 -8.090 -10.176 7.590 1.00 0.00 H new ATOM 0 HB ILE A 43 -5.819 -8.458 6.683 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -6.957 -6.962 8.524 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -7.675 -8.455 9.096 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -7.653 -6.775 6.351 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -7.895 -8.204 5.318 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -8.852 -8.008 6.806 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -5.680 -7.887 10.398 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -5.422 -9.400 9.498 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -4.693 -7.884 8.917 1.00 0.00 H new ATOM 694 N LYS A 44 -8.213 -11.428 5.430 1.00 0.00 N ATOM 695 CA LYS A 44 -8.373 -12.232 4.219 1.00 0.00 C ATOM 696 C LYS A 44 -9.485 -11.665 3.322 1.00 0.00 C ATOM 697 O LYS A 44 -9.852 -12.287 2.320 1.00 0.00 O ATOM 698 CB LYS A 44 -8.655 -13.693 4.631 1.00 0.00 C ATOM 699 CG LYS A 44 -7.658 -14.307 5.642 1.00 0.00 C ATOM 700 CD LYS A 44 -6.227 -14.458 5.105 1.00 0.00 C ATOM 701 CE LYS A 44 -6.163 -15.566 4.049 1.00 0.00 C ATOM 702 NZ LYS A 44 -4.780 -15.895 3.649 1.00 0.00 N ATOM 0 H LYS A 44 -9.040 -11.448 6.027 1.00 0.00 H new ATOM 0 HA LYS A 44 -7.456 -12.200 3.630 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -9.656 -13.744 5.059 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -8.660 -14.310 3.733 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -7.634 -13.683 6.536 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -8.025 -15.287 5.947 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -5.894 -13.515 4.672 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.547 -14.690 5.925 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -6.647 -16.462 4.439 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -6.727 -15.256 3.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -4.796 -16.650 2.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -4.323 -15.050 3.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -4.245 -16.218 4.481 1.00 0.00 H new ATOM 716 N ASN A 45 -10.074 -10.526 3.704 1.00 0.00 N ATOM 717 CA ASN A 45 -11.300 -10.019 3.099 1.00 0.00 C ATOM 718 C ASN A 45 -11.042 -9.374 1.730 1.00 0.00 C ATOM 719 O ASN A 45 -9.904 -9.102 1.346 1.00 0.00 O ATOM 720 CB ASN A 45 -12.028 -9.056 4.053 1.00 0.00 C ATOM 721 CG ASN A 45 -13.469 -8.927 3.594 1.00 0.00 C ATOM 722 OD1 ASN A 45 -14.214 -9.901 3.634 1.00 0.00 O ATOM 723 ND2 ASN A 45 -13.842 -7.807 3.025 1.00 0.00 N ATOM 0 H ASN A 45 -9.707 -9.930 4.446 1.00 0.00 H new ATOM 0 HA ASN A 45 -11.955 -10.873 2.924 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -11.988 -9.432 5.075 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -11.541 -8.081 4.052 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -14.768 -7.733 2.604 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -13.206 -7.010 3.003 1.00 0.00 H new ATOM 730 N ARG A 46 -12.106 -9.143 0.956 1.00 0.00 N ATOM 731 CA ARG A 46 -12.041 -8.647 -0.417 1.00 0.00 C ATOM 732 C ARG A 46 -11.751 -7.156 -0.411 1.00 0.00 C ATOM 733 O ARG A 46 -10.819 -6.708 -1.085 1.00 0.00 O ATOM 734 CB ARG A 46 -13.336 -8.924 -1.185 1.00 0.00 C ATOM 735 CG ARG A 46 -13.855 -10.351 -1.015 1.00 0.00 C ATOM 736 CD ARG A 46 -15.290 -10.386 -1.506 1.00 0.00 C ATOM 737 NE ARG A 46 -15.662 -11.756 -1.890 1.00 0.00 N ATOM 738 CZ ARG A 46 -16.913 -12.225 -1.945 1.00 0.00 C ATOM 739 NH1 ARG A 46 -17.939 -11.425 -1.687 1.00 0.00 N ATOM 740 NH2 ARG A 46 -17.151 -13.493 -2.261 1.00 0.00 N ATOM 0 H ARG A 46 -13.061 -9.301 1.278 1.00 0.00 H new ATOM 0 HA ARG A 46 -11.236 -9.178 -0.925 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -14.103 -8.225 -0.851 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -13.168 -8.731 -2.245 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -13.241 -11.051 -1.582 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -13.802 -10.654 0.031 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -15.958 -10.025 -0.724 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -15.407 -9.717 -2.359 1.00 0.00 H new ATOM 0 HE ARG A 46 -14.908 -12.398 -2.133 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -17.775 -10.448 -1.445 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -18.892 -11.787 -1.730 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -16.375 -14.122 -2.465 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -18.110 -13.838 -2.299 1.00 0.00 H new ATOM 754 N GLU A 47 -12.529 -6.387 0.347 1.00 0.00 N ATOM 755 CA GLU A 47 -12.451 -4.936 0.292 1.00 0.00 C ATOM 756 C GLU A 47 -11.091 -4.418 0.768 1.00 0.00 C ATOM 757 O GLU A 47 -10.688 -3.354 0.311 1.00 0.00 O ATOM 758 CB GLU A 47 -13.618 -4.261 1.026 1.00 0.00 C ATOM 759 CG GLU A 47 -14.991 -4.674 0.468 1.00 0.00 C ATOM 760 CD GLU A 47 -15.573 -5.853 1.250 1.00 0.00 C ATOM 761 OE1 GLU A 47 -16.191 -5.624 2.314 1.00 0.00 O ATOM 762 OE2 GLU A 47 -15.301 -7.017 0.881 1.00 0.00 O ATOM 0 H GLU A 47 -13.219 -6.748 1.005 1.00 0.00 H new ATOM 0 HA GLU A 47 -12.545 -4.657 -0.757 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -13.570 -4.514 2.085 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -13.511 -3.179 0.952 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -15.676 -3.828 0.517 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -14.893 -4.944 -0.583 1.00 0.00 H new ATOM 769 N THR A 48 -10.338 -5.161 1.588 1.00 0.00 N ATOM 770 CA THR A 48 -8.972 -4.822 2.001 1.00 0.00 C ATOM 771 C THR A 48 -8.085 -4.630 0.773 1.00 0.00 C ATOM 772 O THR A 48 -7.605 -3.526 0.516 1.00 0.00 O ATOM 773 CB THR A 48 -8.401 -5.898 2.945 1.00 0.00 C ATOM 774 OG1 THR A 48 -9.407 -6.489 3.746 1.00 0.00 O ATOM 775 CG2 THR A 48 -7.289 -5.333 3.837 1.00 0.00 C ATOM 0 H THR A 48 -10.671 -6.036 1.992 1.00 0.00 H new ATOM 0 HA THR A 48 -8.996 -3.883 2.554 1.00 0.00 H new ATOM 0 HB THR A 48 -7.976 -6.672 2.306 1.00 0.00 H new ATOM 0 HG1 THR A 48 -9.855 -5.795 4.274 1.00 0.00 H new ATOM 0 HG21 THR A 48 -6.910 -6.120 4.489 1.00 0.00 H new ATOM 0 HG22 THR A 48 -6.478 -4.957 3.213 1.00 0.00 H new ATOM 0 HG23 THR A 48 -7.687 -4.520 4.444 1.00 0.00 H new ATOM 783 N GLY A 49 -7.938 -5.687 -0.029 1.00 0.00 N ATOM 784 CA GLY A 49 -7.187 -5.659 -1.272 1.00 0.00 C ATOM 785 C GLY A 49 -7.737 -4.613 -2.222 1.00 0.00 C ATOM 786 O GLY A 49 -6.958 -3.923 -2.859 1.00 0.00 O ATOM 0 H GLY A 49 -8.347 -6.599 0.177 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -6.139 -5.448 -1.062 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -7.226 -6.640 -1.745 1.00 0.00 H new ATOM 790 N CYS A 50 -9.061 -4.458 -2.305 1.00 0.00 N ATOM 791 CA CYS A 50 -9.697 -3.496 -3.201 1.00 0.00 C ATOM 792 C CYS A 50 -9.287 -2.058 -2.853 1.00 0.00 C ATOM 793 O CYS A 50 -8.990 -1.276 -3.754 1.00 0.00 O ATOM 794 CB CYS A 50 -11.214 -3.697 -3.143 1.00 0.00 C ATOM 795 SG CYS A 50 -12.205 -3.929 -4.641 1.00 0.00 S ATOM 0 H CYS A 50 -9.722 -5.000 -1.749 1.00 0.00 H new ATOM 0 HA CYS A 50 -9.361 -3.667 -4.224 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -11.393 -4.566 -2.509 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -11.627 -2.833 -2.623 1.00 0.00 H new ATOM 800 N ALA A 51 -9.212 -1.699 -1.562 1.00 0.00 N ATOM 801 CA ALA A 51 -8.681 -0.397 -1.164 1.00 0.00 C ATOM 802 C ALA A 51 -7.230 -0.277 -1.603 1.00 0.00 C ATOM 803 O ALA A 51 -6.895 0.718 -2.230 1.00 0.00 O ATOM 804 CB ALA A 51 -8.804 -0.147 0.349 1.00 0.00 C ATOM 0 H ALA A 51 -9.511 -2.290 -0.786 1.00 0.00 H new ATOM 0 HA ALA A 51 -9.281 0.366 -1.660 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -8.395 0.834 0.590 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -9.854 -0.184 0.640 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -8.251 -0.914 0.891 1.00 0.00 H new ATOM 810 N ILE A 52 -6.373 -1.252 -1.301 1.00 0.00 N ATOM 811 CA ILE A 52 -4.946 -1.182 -1.597 1.00 0.00 C ATOM 812 C ILE A 52 -4.766 -1.018 -3.121 1.00 0.00 C ATOM 813 O ILE A 52 -4.153 -0.072 -3.598 1.00 0.00 O ATOM 814 CB ILE A 52 -4.260 -2.420 -0.987 1.00 0.00 C ATOM 815 CG1 ILE A 52 -4.426 -2.417 0.551 1.00 0.00 C ATOM 816 CG2 ILE A 52 -2.774 -2.426 -1.361 1.00 0.00 C ATOM 817 CD1 ILE A 52 -4.124 -3.762 1.200 1.00 0.00 C ATOM 0 H ILE A 52 -6.653 -2.118 -0.841 1.00 0.00 H new ATOM 0 HA ILE A 52 -4.462 -0.316 -1.145 1.00 0.00 H new ATOM 0 HB ILE A 52 -4.729 -3.320 -1.385 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -3.767 -1.661 0.978 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -5.447 -2.125 0.797 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.293 -3.303 -0.928 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.672 -2.455 -2.446 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.298 -1.524 -0.976 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.261 -3.685 2.279 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -4.800 -4.518 0.802 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -3.094 -4.047 0.985 1.00 0.00 H new ATOM 829 N MET A 53 -5.404 -1.884 -3.896 1.00 0.00 N ATOM 830 CA MET A 53 -5.474 -1.881 -5.346 1.00 0.00 C ATOM 831 C MET A 53 -5.908 -0.515 -5.893 1.00 0.00 C ATOM 832 O MET A 53 -5.282 0.029 -6.798 1.00 0.00 O ATOM 833 CB MET A 53 -6.494 -2.966 -5.702 1.00 0.00 C ATOM 834 CG MET A 53 -6.547 -3.336 -7.155 1.00 0.00 C ATOM 835 SD MET A 53 -8.156 -3.954 -7.699 1.00 0.00 S ATOM 836 CE MET A 53 -9.308 -2.700 -7.074 1.00 0.00 C ATOM 0 H MET A 53 -5.924 -2.664 -3.495 1.00 0.00 H new ATOM 0 HA MET A 53 -4.498 -2.076 -5.790 1.00 0.00 H new ATOM 0 HB2 MET A 53 -6.267 -3.861 -5.123 1.00 0.00 H new ATOM 0 HB3 MET A 53 -7.483 -2.629 -5.392 1.00 0.00 H new ATOM 0 HG2 MET A 53 -6.284 -2.462 -7.751 1.00 0.00 H new ATOM 0 HG3 MET A 53 -5.791 -4.096 -7.353 1.00 0.00 H new ATOM 0 HE1 MET A 53 -10.281 -2.831 -7.548 1.00 0.00 H new ATOM 0 HE2 MET A 53 -9.413 -2.808 -5.995 1.00 0.00 H new ATOM 0 HE3 MET A 53 -8.923 -1.706 -7.303 1.00 0.00 H new ATOM 846 N CYS A 54 -6.988 0.066 -5.368 1.00 0.00 N ATOM 847 CA CYS A 54 -7.461 1.378 -5.791 1.00 0.00 C ATOM 848 C CYS A 54 -6.461 2.469 -5.427 1.00 0.00 C ATOM 849 O CYS A 54 -6.214 3.394 -6.206 1.00 0.00 O ATOM 850 CB CYS A 54 -8.840 1.620 -5.173 1.00 0.00 C ATOM 851 SG CYS A 54 -9.455 3.312 -5.297 1.00 0.00 S ATOM 0 H CYS A 54 -7.557 -0.363 -4.638 1.00 0.00 H new ATOM 0 HA CYS A 54 -7.554 1.409 -6.877 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -9.557 0.954 -5.653 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -8.802 1.341 -4.120 1.00 0.00 H new ATOM 856 N LEU A 55 -5.873 2.369 -4.241 1.00 0.00 N ATOM 857 CA LEU A 55 -4.881 3.313 -3.761 1.00 0.00 C ATOM 858 C LEU A 55 -3.613 3.333 -4.596 1.00 0.00 C ATOM 859 O LEU A 55 -2.918 4.349 -4.559 1.00 0.00 O ATOM 860 CB LEU A 55 -4.548 3.012 -2.297 1.00 0.00 C ATOM 861 CG LEU A 55 -5.669 3.442 -1.346 1.00 0.00 C ATOM 862 CD1 LEU A 55 -5.360 2.907 0.041 1.00 0.00 C ATOM 863 CD2 LEU A 55 -5.815 4.953 -1.338 1.00 0.00 C ATOM 0 H LEU A 55 -6.077 1.619 -3.580 1.00 0.00 H new ATOM 0 HA LEU A 55 -5.320 4.306 -3.851 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -4.365 1.944 -2.180 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.626 3.525 -2.024 1.00 0.00 H new ATOM 0 HG LEU A 55 -6.621 3.031 -1.684 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.150 3.205 0.730 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.300 1.819 0.006 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -4.408 3.312 0.383 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.616 5.237 -0.656 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.880 5.407 -1.009 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -6.053 5.301 -2.343 1.00 0.00 H new ATOM 875 N SER A 56 -3.342 2.294 -5.389 1.00 0.00 N ATOM 876 CA SER A 56 -2.144 2.215 -6.214 1.00 0.00 C ATOM 877 C SER A 56 -2.083 3.384 -7.219 1.00 0.00 C ATOM 878 O SER A 56 -1.029 3.770 -7.721 1.00 0.00 O ATOM 879 CB SER A 56 -2.067 0.796 -6.832 1.00 0.00 C ATOM 880 OG SER A 56 -2.552 0.656 -8.154 1.00 0.00 O ATOM 0 H SER A 56 -3.953 1.482 -5.474 1.00 0.00 H new ATOM 0 HA SER A 56 -1.241 2.343 -5.618 1.00 0.00 H new ATOM 0 HB2 SER A 56 -1.026 0.472 -6.814 1.00 0.00 H new ATOM 0 HB3 SER A 56 -2.624 0.114 -6.190 1.00 0.00 H new ATOM 0 HG SER A 56 -2.439 -0.272 -8.447 1.00 0.00 H new ATOM 886 N THR A 57 -3.224 4.037 -7.456 1.00 0.00 N ATOM 887 CA THR A 57 -3.385 5.065 -8.469 1.00 0.00 C ATOM 888 C THR A 57 -3.942 6.354 -7.846 1.00 0.00 C ATOM 889 O THR A 57 -4.439 7.233 -8.556 1.00 0.00 O ATOM 890 CB THR A 57 -4.111 4.413 -9.657 1.00 0.00 C ATOM 891 OG1 THR A 57 -4.509 5.305 -10.674 1.00 0.00 O ATOM 892 CG2 THR A 57 -5.340 3.576 -9.294 1.00 0.00 C ATOM 0 H THR A 57 -4.079 3.855 -6.931 1.00 0.00 H new ATOM 0 HA THR A 57 -2.454 5.442 -8.894 1.00 0.00 H new ATOM 0 HB THR A 57 -3.323 3.758 -10.028 1.00 0.00 H new ATOM 0 HG1 THR A 57 -4.610 6.205 -10.299 1.00 0.00 H new ATOM 0 HG21 THR A 57 -5.778 3.161 -10.201 1.00 0.00 H new ATOM 0 HG22 THR A 57 -5.044 2.764 -8.630 1.00 0.00 H new ATOM 0 HG23 THR A 57 -6.074 4.206 -8.792 1.00 0.00 H new ATOM 900 N LYS A 58 -3.836 6.487 -6.519 1.00 0.00 N ATOM 901 CA LYS A 58 -4.342 7.614 -5.739 1.00 0.00 C ATOM 902 C LYS A 58 -3.236 8.305 -4.942 1.00 0.00 C ATOM 903 O LYS A 58 -3.546 9.194 -4.151 1.00 0.00 O ATOM 904 CB LYS A 58 -5.430 7.111 -4.782 1.00 0.00 C ATOM 905 CG LYS A 58 -6.663 6.476 -5.441 1.00 0.00 C ATOM 906 CD LYS A 58 -7.842 7.430 -5.501 1.00 0.00 C ATOM 907 CE LYS A 58 -9.081 6.676 -5.994 1.00 0.00 C ATOM 908 NZ LYS A 58 -8.957 6.103 -7.352 1.00 0.00 N ATOM 0 H LYS A 58 -3.377 5.784 -5.940 1.00 0.00 H new ATOM 0 HA LYS A 58 -4.751 8.348 -6.433 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -4.984 6.378 -4.109 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -5.761 7.948 -4.168 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -6.407 6.155 -6.451 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -6.949 5.583 -4.885 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -8.030 7.856 -4.515 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -7.618 8.261 -6.170 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -9.302 5.871 -5.294 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -9.933 7.355 -5.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -9.904 5.981 -7.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -8.398 6.745 -7.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -8.482 5.180 -7.297 1.00 0.00 H new ATOM 922 N LEU A 59 -1.970 7.929 -5.111 1.00 0.00 N ATOM 923 CA LEU A 59 -0.816 8.489 -4.395 1.00 0.00 C ATOM 924 C LEU A 59 -0.709 9.987 -4.669 1.00 0.00 C ATOM 925 O LEU A 59 -0.389 10.760 -3.771 1.00 0.00 O ATOM 926 CB LEU A 59 0.486 7.807 -4.891 1.00 0.00 C ATOM 927 CG LEU A 59 0.479 6.271 -4.971 1.00 0.00 C ATOM 928 CD1 LEU A 59 1.563 5.701 -5.895 1.00 0.00 C ATOM 929 CD2 LEU A 59 0.512 5.613 -3.593 1.00 0.00 C ATOM 0 H LEU A 59 -1.706 7.200 -5.773 1.00 0.00 H new ATOM 0 HA LEU A 59 -0.950 8.315 -3.327 1.00 0.00 H new ATOM 0 HB2 LEU A 59 0.717 8.197 -5.882 1.00 0.00 H new ATOM 0 HB3 LEU A 59 1.300 8.109 -4.232 1.00 0.00 H new ATOM 0 HG LEU A 59 -0.476 6.015 -5.430 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.499 4.613 -5.903 1.00 0.00 H new ATOM 0 HD12 LEU A 59 1.416 6.081 -6.906 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.546 6.004 -5.533 1.00 0.00 H new ATOM 0 HD21 LEU A 59 0.506 4.529 -3.707 1.00 0.00 H new ATOM 0 HD22 LEU A 59 1.417 5.917 -3.066 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -0.363 5.923 -3.021 1.00 0.00 H new ATOM 941 N ASN A 60 -1.111 10.390 -5.876 1.00 0.00 N ATOM 942 CA ASN A 60 -1.253 11.772 -6.325 1.00 0.00 C ATOM 943 C ASN A 60 -2.237 12.603 -5.486 1.00 0.00 C ATOM 944 O ASN A 60 -2.293 13.815 -5.675 1.00 0.00 O ATOM 945 CB ASN A 60 -1.685 11.784 -7.804 1.00 0.00 C ATOM 946 CG ASN A 60 -3.002 11.049 -8.017 1.00 0.00 C ATOM 947 OD1 ASN A 60 -4.072 11.563 -7.728 1.00 0.00 O ATOM 948 ND2 ASN A 60 -2.953 9.806 -8.472 1.00 0.00 N ATOM 0 H ASN A 60 -1.359 9.722 -6.605 1.00 0.00 H new ATOM 0 HA ASN A 60 -0.278 12.243 -6.199 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -1.785 12.815 -8.145 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -0.908 11.321 -8.413 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -3.813 9.270 -8.584 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -2.055 9.385 -8.711 1.00 0.00 H new ATOM 955 N MET A 61 -3.005 12.000 -4.574 1.00 0.00 N ATOM 956 CA MET A 61 -3.918 12.684 -3.658 1.00 0.00 C ATOM 957 C MET A 61 -3.351 12.722 -2.234 1.00 0.00 C ATOM 958 O MET A 61 -4.023 13.194 -1.314 1.00 0.00 O ATOM 959 CB MET A 61 -5.295 11.996 -3.670 1.00 0.00 C ATOM 960 CG MET A 61 -5.807 11.714 -5.088 1.00 0.00 C ATOM 961 SD MET A 61 -7.603 11.714 -5.285 1.00 0.00 S ATOM 962 CE MET A 61 -8.053 10.595 -3.954 1.00 0.00 C ATOM 0 H MET A 61 -3.007 10.988 -4.450 1.00 0.00 H new ATOM 0 HA MET A 61 -4.033 13.713 -3.999 1.00 0.00 H new ATOM 0 HB2 MET A 61 -5.232 11.058 -3.118 1.00 0.00 H new ATOM 0 HB3 MET A 61 -6.015 12.626 -3.147 1.00 0.00 H new ATOM 0 HG2 MET A 61 -5.386 12.460 -5.762 1.00 0.00 H new ATOM 0 HG3 MET A 61 -5.425 10.744 -5.407 1.00 0.00 H new ATOM 0 HE1 MET A 61 -8.938 10.026 -4.240 1.00 0.00 H new ATOM 0 HE2 MET A 61 -7.228 9.910 -3.760 1.00 0.00 H new ATOM 0 HE3 MET A 61 -8.267 11.169 -3.053 1.00 0.00 H new ATOM 972 N LEU A 62 -2.154 12.161 -2.031 1.00 0.00 N ATOM 973 CA LEU A 62 -1.513 11.933 -0.745 1.00 0.00 C ATOM 974 C LEU A 62 -0.283 12.825 -0.663 1.00 0.00 C ATOM 975 O LEU A 62 -0.227 13.710 0.184 1.00 0.00 O ATOM 976 CB LEU A 62 -1.148 10.433 -0.601 1.00 0.00 C ATOM 977 CG LEU A 62 -2.332 9.499 -0.873 1.00 0.00 C ATOM 978 CD1 LEU A 62 -2.010 8.031 -0.634 1.00 0.00 C ATOM 979 CD2 LEU A 62 -3.516 9.844 0.012 1.00 0.00 C ATOM 0 H LEU A 62 -1.579 11.838 -2.809 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.185 12.183 0.076 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.338 10.194 -1.291 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.773 10.251 0.406 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.567 9.646 -1.927 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.892 7.426 -0.845 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.195 7.726 -1.290 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.712 7.888 0.405 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -4.341 9.165 -0.203 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.229 9.746 1.059 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.830 10.869 -0.183 1.00 0.00 H new ATOM 991 N ASP A 63 0.702 12.577 -1.517 1.00 0.00 N ATOM 992 CA ASP A 63 2.031 13.121 -1.479 1.00 0.00 C ATOM 993 C ASP A 63 2.090 14.592 -1.908 1.00 0.00 C ATOM 994 O ASP A 63 1.722 14.919 -3.037 1.00 0.00 O ATOM 995 CB ASP A 63 2.881 12.167 -2.313 1.00 0.00 C ATOM 996 CG ASP A 63 3.404 12.637 -3.648 1.00 0.00 C ATOM 997 OD1 ASP A 63 2.678 12.608 -4.663 1.00 0.00 O ATOM 998 OD2 ASP A 63 4.609 12.973 -3.607 1.00 0.00 O ATOM 0 H ASP A 63 0.572 11.944 -2.306 1.00 0.00 H new ATOM 0 HA ASP A 63 2.423 13.174 -0.464 1.00 0.00 H new ATOM 0 HB2 ASP A 63 3.739 11.874 -1.707 1.00 0.00 H new ATOM 0 HB3 ASP A 63 2.292 11.267 -2.488 1.00 0.00 H new ATOM 1003 N PRO A 64 2.481 15.516 -1.010 1.00 0.00 N ATOM 1004 CA PRO A 64 2.445 16.931 -1.322 1.00 0.00 C ATOM 1005 C PRO A 64 3.632 17.393 -2.149 1.00 0.00 C ATOM 1006 O PRO A 64 3.449 18.242 -3.016 1.00 0.00 O ATOM 1007 CB PRO A 64 2.407 17.654 0.023 1.00 0.00 C ATOM 1008 CG PRO A 64 3.152 16.702 0.957 1.00 0.00 C ATOM 1009 CD PRO A 64 2.804 15.321 0.398 1.00 0.00 C ATOM 0 HA PRO A 64 1.573 17.153 -1.937 1.00 0.00 H new ATOM 0 HB2 PRO A 64 2.894 18.628 -0.030 1.00 0.00 H new ATOM 0 HB3 PRO A 64 1.384 17.827 0.358 1.00 0.00 H new ATOM 0 HG2 PRO A 64 4.227 16.883 0.943 1.00 0.00 H new ATOM 0 HG3 PRO A 64 2.824 16.813 1.990 1.00 0.00 H new ATOM 0 HD2 PRO A 64 3.642 14.633 0.513 1.00 0.00 H new ATOM 0 HD3 PRO A 64 1.960 14.887 0.934 1.00 0.00 H new ATOM 1017 N GLU A 65 4.827 16.846 -1.926 1.00 0.00 N ATOM 1018 CA GLU A 65 5.951 17.181 -2.786 1.00 0.00 C ATOM 1019 C GLU A 65 5.751 16.621 -4.194 1.00 0.00 C ATOM 1020 O GLU A 65 6.385 17.127 -5.122 1.00 0.00 O ATOM 1021 CB GLU A 65 7.265 16.643 -2.230 1.00 0.00 C ATOM 1022 CG GLU A 65 7.698 17.287 -0.917 1.00 0.00 C ATOM 1023 CD GLU A 65 9.125 16.870 -0.535 1.00 0.00 C ATOM 1024 OE1 GLU A 65 10.060 16.992 -1.354 1.00 0.00 O ATOM 1025 OE2 GLU A 65 9.319 16.295 0.565 1.00 0.00 O ATOM 0 H GLU A 65 5.035 16.186 -1.176 1.00 0.00 H new ATOM 0 HA GLU A 65 5.999 18.269 -2.826 1.00 0.00 H new ATOM 0 HB2 GLU A 65 7.170 15.567 -2.080 1.00 0.00 H new ATOM 0 HB3 GLU A 65 8.049 16.794 -2.972 1.00 0.00 H new ATOM 0 HG2 GLU A 65 7.646 18.372 -1.007 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.008 16.999 -0.124 1.00 0.00 H new ATOM 1032 N GLY A 66 4.903 15.600 -4.392 1.00 0.00 N ATOM 1033 CA GLY A 66 4.765 15.036 -5.727 1.00 0.00 C ATOM 1034 C GLY A 66 6.001 14.248 -6.172 1.00 0.00 C ATOM 1035 O GLY A 66 6.328 14.298 -7.357 1.00 0.00 O ATOM 0 H GLY A 66 4.326 15.167 -3.670 1.00 0.00 H new ATOM 0 HA2 GLY A 66 3.894 14.380 -5.751 1.00 0.00 H new ATOM 0 HA3 GLY A 66 4.578 15.840 -6.438 1.00 0.00 H new ATOM 1039 N ASN A 67 6.698 13.560 -5.255 1.00 0.00 N ATOM 1040 CA ASN A 67 7.612 12.459 -5.518 1.00 0.00 C ATOM 1041 C ASN A 67 6.911 11.164 -5.882 1.00 0.00 C ATOM 1042 O ASN A 67 7.354 10.478 -6.806 1.00 0.00 O ATOM 1043 CB ASN A 67 8.506 12.110 -4.326 1.00 0.00 C ATOM 1044 CG ASN A 67 7.993 12.418 -2.943 1.00 0.00 C ATOM 1045 OD1 ASN A 67 8.475 13.527 -2.435 1.00 0.00 O flip ATOM 1046 ND2 ASN A 67 7.222 11.693 -2.325 1.00 0.00 N flip ATOM 0 H ASN A 67 6.629 13.775 -4.260 1.00 0.00 H new ATOM 0 HA ASN A 67 8.200 12.837 -6.354 1.00 0.00 H new ATOM 0 HB2 ASN A 67 8.722 11.043 -4.372 1.00 0.00 H new ATOM 0 HB3 ASN A 67 9.454 12.633 -4.455 1.00 0.00 H new ATOM 0 HD21 ASN A 67 6.869 10.838 -2.756 1.00 0.00 H new ATOM 0 HD22 ASN A 67 6.933 11.944 -1.380 1.00 0.00 H new ATOM 1053 N LEU A 68 5.971 10.752 -5.035 1.00 0.00 N ATOM 1054 CA LEU A 68 5.484 9.379 -4.993 1.00 0.00 C ATOM 1055 C LEU A 68 4.520 9.140 -6.149 1.00 0.00 C ATOM 1056 O LEU A 68 3.358 9.550 -6.087 1.00 0.00 O ATOM 1057 CB LEU A 68 4.806 9.068 -3.650 1.00 0.00 C ATOM 1058 CG LEU A 68 4.248 7.630 -3.603 1.00 0.00 C ATOM 1059 CD1 LEU A 68 5.284 6.543 -3.913 1.00 0.00 C ATOM 1060 CD2 LEU A 68 3.624 7.381 -2.231 1.00 0.00 C ATOM 0 H LEU A 68 5.524 11.367 -4.355 1.00 0.00 H new ATOM 0 HA LEU A 68 6.337 8.707 -5.093 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.524 9.205 -2.841 1.00 0.00 H new ATOM 0 HB3 LEU A 68 3.996 9.777 -3.480 1.00 0.00 H new ATOM 0 HG LEU A 68 3.501 7.559 -4.394 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.810 5.563 -3.859 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.685 6.697 -4.915 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.094 6.595 -3.186 1.00 0.00 H new ATOM 0 HD21 LEU A 68 3.227 6.367 -2.190 1.00 0.00 H new ATOM 0 HD22 LEU A 68 4.383 7.505 -1.458 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.816 8.093 -2.064 1.00 0.00 H new ATOM 1072 N HIS A 69 4.993 8.484 -7.197 1.00 0.00 N ATOM 1073 CA HIS A 69 4.204 8.215 -8.382 1.00 0.00 C ATOM 1074 C HIS A 69 3.937 6.736 -8.504 1.00 0.00 C ATOM 1075 O HIS A 69 4.668 5.902 -7.971 1.00 0.00 O ATOM 1076 CB HIS A 69 4.953 8.717 -9.617 1.00 0.00 C ATOM 1077 CG HIS A 69 5.211 10.193 -9.535 1.00 0.00 C ATOM 1078 ND1 HIS A 69 4.299 11.144 -9.135 1.00 0.00 N ATOM 1079 CD2 HIS A 69 6.424 10.805 -9.656 1.00 0.00 C ATOM 1080 CE1 HIS A 69 4.956 12.303 -9.040 1.00 0.00 C ATOM 1081 NE2 HIS A 69 6.245 12.163 -9.408 1.00 0.00 N ATOM 0 H HIS A 69 5.945 8.121 -7.246 1.00 0.00 H new ATOM 0 HA HIS A 69 3.249 8.735 -8.303 1.00 0.00 H new ATOM 0 HB2 HIS A 69 5.899 8.185 -9.712 1.00 0.00 H new ATOM 0 HB3 HIS A 69 4.372 8.496 -10.512 1.00 0.00 H new ATOM 0 HD2 HIS A 69 7.358 10.321 -9.901 1.00 0.00 H new ATOM 0 HE1 HIS A 69 4.512 13.231 -8.711 1.00 0.00 H new ATOM 0 HE2 HIS A 69 6.945 12.900 -9.488 1.00 0.00 H new ATOM 1089 N HIS A 70 2.917 6.440 -9.295 1.00 0.00 N ATOM 1090 CA HIS A 70 2.750 5.129 -9.870 1.00 0.00 C ATOM 1091 C HIS A 70 3.957 4.959 -10.798 1.00 0.00 C ATOM 1092 O HIS A 70 4.244 5.809 -11.650 1.00 0.00 O ATOM 1093 CB HIS A 70 1.404 5.090 -10.584 1.00 0.00 C ATOM 1094 CG HIS A 70 0.958 3.776 -11.137 1.00 0.00 C ATOM 1095 ND1 HIS A 70 0.111 3.601 -12.202 1.00 0.00 N ATOM 1096 CD2 HIS A 70 1.053 2.586 -10.487 1.00 0.00 C ATOM 1097 CE1 HIS A 70 -0.181 2.293 -12.266 1.00 0.00 C ATOM 1098 NE2 HIS A 70 0.349 1.633 -11.227 1.00 0.00 N ATOM 0 H HIS A 70 2.187 7.105 -9.551 1.00 0.00 H new ATOM 0 HA HIS A 70 2.728 4.308 -9.153 1.00 0.00 H new ATOM 0 HB2 HIS A 70 0.642 5.438 -9.886 1.00 0.00 H new ATOM 0 HB3 HIS A 70 1.437 5.807 -11.404 1.00 0.00 H new ATOM 0 HD2 HIS A 70 1.580 2.408 -9.561 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -0.765 1.834 -13.050 1.00 0.00 H new ATOM 0 HE2 HIS A 70 0.257 0.639 -11.019 1.00 0.00 H new ATOM 1106 N GLY A 71 4.743 3.928 -10.536 1.00 0.00 N ATOM 1107 CA GLY A 71 6.000 3.664 -11.207 1.00 0.00 C ATOM 1108 C GLY A 71 7.122 4.622 -10.828 1.00 0.00 C ATOM 1109 O GLY A 71 8.095 4.677 -11.579 1.00 0.00 O ATOM 0 H GLY A 71 4.514 3.231 -9.827 1.00 0.00 H new ATOM 0 HA2 GLY A 71 6.314 2.646 -10.979 1.00 0.00 H new ATOM 0 HA3 GLY A 71 5.842 3.715 -12.284 1.00 0.00 H new ATOM 1113 N ASN A 72 7.053 5.378 -9.721 1.00 0.00 N ATOM 1114 CA ASN A 72 8.251 6.043 -9.214 1.00 0.00 C ATOM 1115 C ASN A 72 8.197 6.291 -7.712 1.00 0.00 C ATOM 1116 O ASN A 72 7.672 7.313 -7.259 1.00 0.00 O ATOM 1117 CB ASN A 72 8.563 7.354 -9.948 1.00 0.00 C ATOM 1118 CG ASN A 72 10.050 7.690 -9.814 1.00 0.00 C ATOM 1119 OD1 ASN A 72 10.773 7.176 -8.958 1.00 0.00 O ATOM 1120 ND2 ASN A 72 10.504 8.639 -10.615 1.00 0.00 N ATOM 0 H ASN A 72 6.205 5.538 -9.178 1.00 0.00 H new ATOM 0 HA ASN A 72 9.063 5.344 -9.414 1.00 0.00 H new ATOM 0 HB2 ASN A 72 8.296 7.263 -11.001 1.00 0.00 H new ATOM 0 HB3 ASN A 72 7.961 8.163 -9.535 1.00 0.00 H new ATOM 0 HD21 ASN A 72 11.469 8.959 -10.531 1.00 0.00 H new ATOM 0 HD22 ASN A 72 9.889 9.051 -11.317 1.00 0.00 H new ATOM 1127 N ALA A 73 8.812 5.404 -6.938 1.00 0.00 N ATOM 1128 CA ALA A 73 8.936 5.541 -5.496 1.00 0.00 C ATOM 1129 C ALA A 73 10.407 5.668 -5.063 1.00 0.00 C ATOM 1130 O ALA A 73 10.680 5.588 -3.873 1.00 0.00 O ATOM 1131 CB ALA A 73 8.206 4.363 -4.831 1.00 0.00 C ATOM 0 H ALA A 73 9.245 4.556 -7.304 1.00 0.00 H new ATOM 0 HA ALA A 73 8.465 6.467 -5.165 1.00 0.00 H new ATOM 0 HB1 ALA A 73 8.288 4.449 -3.748 1.00 0.00 H new ATOM 0 HB2 ALA A 73 7.154 4.378 -5.117 1.00 0.00 H new ATOM 0 HB3 ALA A 73 8.657 3.425 -5.156 1.00 0.00 H new ATOM 1137 N MET A 74 11.379 5.878 -5.962 1.00 0.00 N ATOM 1138 CA MET A 74 12.788 5.680 -5.619 1.00 0.00 C ATOM 1139 C MET A 74 13.325 6.850 -4.799 1.00 0.00 C ATOM 1140 O MET A 74 14.146 6.665 -3.902 1.00 0.00 O ATOM 1141 CB MET A 74 13.622 5.480 -6.897 1.00 0.00 C ATOM 1142 CG MET A 74 13.636 4.020 -7.364 1.00 0.00 C ATOM 1143 SD MET A 74 14.613 2.910 -6.305 1.00 0.00 S ATOM 1144 CE MET A 74 14.367 1.329 -7.160 1.00 0.00 C ATOM 0 H MET A 74 11.215 6.182 -6.922 1.00 0.00 H new ATOM 0 HA MET A 74 12.868 4.782 -5.006 1.00 0.00 H new ATOM 0 HB2 MET A 74 13.220 6.109 -7.692 1.00 0.00 H new ATOM 0 HB3 MET A 74 14.645 5.810 -6.715 1.00 0.00 H new ATOM 0 HG2 MET A 74 12.610 3.654 -7.407 1.00 0.00 H new ATOM 0 HG3 MET A 74 14.032 3.978 -8.379 1.00 0.00 H new ATOM 0 HE1 MET A 74 14.905 0.542 -6.632 1.00 0.00 H new ATOM 0 HE2 MET A 74 13.304 1.089 -7.183 1.00 0.00 H new ATOM 0 HE3 MET A 74 14.744 1.405 -8.180 1.00 0.00 H new ATOM 1154 N GLU A 75 12.898 8.079 -5.081 1.00 0.00 N ATOM 1155 CA GLU A 75 13.240 9.196 -4.205 1.00 0.00 C ATOM 1156 C GLU A 75 12.414 9.126 -2.930 1.00 0.00 C ATOM 1157 O GLU A 75 12.967 9.363 -1.858 1.00 0.00 O ATOM 1158 CB GLU A 75 13.057 10.543 -4.918 1.00 0.00 C ATOM 1159 CG GLU A 75 14.374 10.954 -5.581 1.00 0.00 C ATOM 1160 CD GLU A 75 14.245 12.274 -6.344 1.00 0.00 C ATOM 1161 OE1 GLU A 75 14.210 13.349 -5.698 1.00 0.00 O ATOM 1162 OE2 GLU A 75 14.173 12.233 -7.595 1.00 0.00 O ATOM 0 H GLU A 75 12.327 8.323 -5.890 1.00 0.00 H new ATOM 0 HA GLU A 75 14.294 9.118 -3.939 1.00 0.00 H new ATOM 0 HB2 GLU A 75 12.269 10.466 -5.667 1.00 0.00 H new ATOM 0 HB3 GLU A 75 12.744 11.305 -4.204 1.00 0.00 H new ATOM 0 HG2 GLU A 75 15.148 11.050 -4.820 1.00 0.00 H new ATOM 0 HG3 GLU A 75 14.695 10.169 -6.266 1.00 0.00 H new ATOM 1169 N PHE A 76 11.128 8.776 -3.024 1.00 0.00 N ATOM 1170 CA PHE A 76 10.241 8.608 -1.890 1.00 0.00 C ATOM 1171 C PHE A 76 10.832 7.619 -0.873 1.00 0.00 C ATOM 1172 O PHE A 76 10.894 7.936 0.316 1.00 0.00 O ATOM 1173 CB PHE A 76 8.885 8.170 -2.448 1.00 0.00 C ATOM 1174 CG PHE A 76 7.925 7.695 -1.394 1.00 0.00 C ATOM 1175 CD1 PHE A 76 7.226 8.630 -0.624 1.00 0.00 C ATOM 1176 CD2 PHE A 76 7.750 6.323 -1.178 1.00 0.00 C ATOM 1177 CE1 PHE A 76 6.347 8.189 0.384 1.00 0.00 C ATOM 1178 CE2 PHE A 76 6.859 5.874 -0.190 1.00 0.00 C ATOM 1179 CZ PHE A 76 6.175 6.809 0.605 1.00 0.00 C ATOM 0 H PHE A 76 10.672 8.599 -3.919 1.00 0.00 H new ATOM 0 HA PHE A 76 10.115 9.538 -1.336 1.00 0.00 H new ATOM 0 HB2 PHE A 76 8.436 9.005 -2.986 1.00 0.00 H new ATOM 0 HB3 PHE A 76 9.041 7.371 -3.172 1.00 0.00 H new ATOM 0 HD1 PHE A 76 7.360 9.687 -0.802 1.00 0.00 H new ATOM 0 HD2 PHE A 76 8.301 5.609 -1.772 1.00 0.00 H new ATOM 0 HE1 PHE A 76 5.807 8.906 0.985 1.00 0.00 H new ATOM 0 HE2 PHE A 76 6.700 4.816 -0.042 1.00 0.00 H new ATOM 0 HZ PHE A 76 5.515 6.468 1.389 1.00 0.00 H new ATOM 1189 N ALA A 77 11.335 6.475 -1.337 1.00 0.00 N ATOM 1190 CA ALA A 77 12.019 5.460 -0.554 1.00 0.00 C ATOM 1191 C ALA A 77 13.152 6.086 0.235 1.00 0.00 C ATOM 1192 O ALA A 77 13.225 5.956 1.461 1.00 0.00 O ATOM 1193 CB ALA A 77 12.546 4.375 -1.510 1.00 0.00 C ATOM 0 H ALA A 77 11.270 6.223 -2.323 1.00 0.00 H new ATOM 0 HA ALA A 77 11.329 5.007 0.158 1.00 0.00 H new ATOM 0 HB1 ALA A 77 13.063 3.605 -0.937 1.00 0.00 H new ATOM 0 HB2 ALA A 77 11.711 3.928 -2.049 1.00 0.00 H new ATOM 0 HB3 ALA A 77 13.239 4.823 -2.222 1.00 0.00 H new ATOM 1199 N LYS A 78 14.020 6.821 -0.460 1.00 0.00 N ATOM 1200 CA LYS A 78 15.162 7.447 0.178 1.00 0.00 C ATOM 1201 C LYS A 78 14.757 8.479 1.216 1.00 0.00 C ATOM 1202 O LYS A 78 15.491 8.602 2.197 1.00 0.00 O ATOM 1203 CB LYS A 78 16.115 8.019 -0.872 1.00 0.00 C ATOM 1204 CG LYS A 78 16.925 6.855 -1.466 1.00 0.00 C ATOM 1205 CD LYS A 78 18.162 7.329 -2.220 1.00 0.00 C ATOM 1206 CE LYS A 78 19.253 7.816 -1.260 1.00 0.00 C ATOM 1207 NZ LYS A 78 20.202 8.701 -1.960 1.00 0.00 N ATOM 0 H LYS A 78 13.948 6.993 -1.463 1.00 0.00 H new ATOM 0 HA LYS A 78 15.698 6.674 0.729 1.00 0.00 H new ATOM 0 HB2 LYS A 78 15.556 8.532 -1.654 1.00 0.00 H new ATOM 0 HB3 LYS A 78 16.781 8.755 -0.421 1.00 0.00 H new ATOM 0 HG2 LYS A 78 17.228 6.181 -0.664 1.00 0.00 H new ATOM 0 HG3 LYS A 78 16.290 6.282 -2.141 1.00 0.00 H new ATOM 0 HD2 LYS A 78 18.551 6.515 -2.831 1.00 0.00 H new ATOM 0 HD3 LYS A 78 17.888 8.135 -2.900 1.00 0.00 H new ATOM 0 HE2 LYS A 78 18.799 8.349 -0.425 1.00 0.00 H new ATOM 0 HE3 LYS A 78 19.785 6.962 -0.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 20.934 9.021 -1.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 20.649 8.181 -2.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 19.693 9.526 -2.338 1.00 0.00 H new ATOM 1221 N LYS A 79 13.597 9.140 1.113 1.00 0.00 N ATOM 1222 CA LYS A 79 13.152 10.029 2.192 1.00 0.00 C ATOM 1223 C LYS A 79 12.975 9.251 3.488 1.00 0.00 C ATOM 1224 O LYS A 79 13.245 9.792 4.568 1.00 0.00 O ATOM 1225 CB LYS A 79 11.907 10.848 1.836 1.00 0.00 C ATOM 1226 CG LYS A 79 12.157 11.544 0.490 1.00 0.00 C ATOM 1227 CD LYS A 79 11.325 12.789 0.199 1.00 0.00 C ATOM 1228 CE LYS A 79 11.670 13.243 -1.234 1.00 0.00 C ATOM 1229 NZ LYS A 79 11.751 14.710 -1.408 1.00 0.00 N ATOM 0 H LYS A 79 12.964 9.079 0.315 1.00 0.00 H new ATOM 0 HA LYS A 79 13.942 10.765 2.339 1.00 0.00 H new ATOM 0 HB2 LYS A 79 11.032 10.201 1.772 1.00 0.00 H new ATOM 0 HB3 LYS A 79 11.702 11.585 2.613 1.00 0.00 H new ATOM 0 HG2 LYS A 79 13.211 11.819 0.439 1.00 0.00 H new ATOM 0 HG3 LYS A 79 11.978 10.821 -0.306 1.00 0.00 H new ATOM 0 HD2 LYS A 79 10.261 12.570 0.288 1.00 0.00 H new ATOM 0 HD3 LYS A 79 11.549 13.578 0.917 1.00 0.00 H new ATOM 0 HE2 LYS A 79 12.624 12.802 -1.522 1.00 0.00 H new ATOM 0 HE3 LYS A 79 10.918 12.849 -1.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 12.133 14.927 -2.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 10.801 15.123 -1.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 12.376 15.112 -0.680 1.00 0.00 H new ATOM 1243 N HIS A 80 12.596 7.974 3.390 1.00 0.00 N ATOM 1244 CA HIS A 80 12.263 7.125 4.513 1.00 0.00 C ATOM 1245 C HIS A 80 13.370 6.077 4.685 1.00 0.00 C ATOM 1246 O HIS A 80 13.140 4.996 5.223 1.00 0.00 O ATOM 1247 CB HIS A 80 10.865 6.561 4.234 1.00 0.00 C ATOM 1248 CG HIS A 80 9.857 7.636 3.871 1.00 0.00 C ATOM 1249 ND1 HIS A 80 9.610 8.782 4.580 1.00 0.00 N flip ATOM 1250 CD2 HIS A 80 9.218 7.775 2.658 1.00 0.00 C flip ATOM 1251 CE1 HIS A 80 8.789 9.609 3.818 1.00 0.00 C flip ATOM 1252 NE2 HIS A 80 8.592 8.963 2.658 1.00 0.00 N flip ATOM 0 H HIS A 80 12.513 7.497 2.492 1.00 0.00 H new ATOM 0 HA HIS A 80 12.218 7.649 5.468 1.00 0.00 H new ATOM 0 HB2 HIS A 80 10.926 5.838 3.421 1.00 0.00 H new ATOM 0 HB3 HIS A 80 10.514 6.022 5.114 1.00 0.00 H new ATOM 0 HD2 HIS A 80 9.220 7.057 1.851 1.00 0.00 H new ATOM 0 HE1 HIS A 80 8.392 10.572 4.102 1.00 0.00 H new ATOM 0 HE2 HIS A 80 8.041 9.326 1.880 1.00 0.00 H new ATOM 1260 N GLY A 81 14.578 6.390 4.198 1.00 0.00 N ATOM 1261 CA GLY A 81 15.807 5.663 4.459 1.00 0.00 C ATOM 1262 C GLY A 81 16.005 4.416 3.614 1.00 0.00 C ATOM 1263 O GLY A 81 17.090 3.833 3.650 1.00 0.00 O ATOM 0 H GLY A 81 14.721 7.193 3.586 1.00 0.00 H new ATOM 0 HA2 GLY A 81 16.650 6.333 4.294 1.00 0.00 H new ATOM 0 HA3 GLY A 81 15.827 5.378 5.511 1.00 0.00 H new ATOM 1267 N ALA A 82 14.992 4.009 2.859 1.00 0.00 N ATOM 1268 CA ALA A 82 15.091 2.878 1.952 1.00 0.00 C ATOM 1269 C ALA A 82 15.966 3.294 0.766 1.00 0.00 C ATOM 1270 O ALA A 82 15.556 4.088 -0.080 1.00 0.00 O ATOM 1271 CB ALA A 82 13.700 2.391 1.542 1.00 0.00 C ATOM 0 H ALA A 82 14.076 4.458 2.860 1.00 0.00 H new ATOM 0 HA ALA A 82 15.564 2.026 2.439 1.00 0.00 H new ATOM 0 HB1 ALA A 82 13.797 1.544 0.863 1.00 0.00 H new ATOM 0 HB2 ALA A 82 13.146 2.084 2.429 1.00 0.00 H new ATOM 0 HB3 ALA A 82 13.165 3.198 1.042 1.00 0.00 H new ATOM 1277 N ASP A 83 17.209 2.809 0.749 1.00 0.00 N ATOM 1278 CA ASP A 83 18.127 2.943 -0.371 1.00 0.00 C ATOM 1279 C ASP A 83 17.533 2.278 -1.619 1.00 0.00 C ATOM 1280 O ASP A 83 16.524 1.579 -1.536 1.00 0.00 O ATOM 1281 CB ASP A 83 19.478 2.315 -0.083 1.00 0.00 C ATOM 1282 CG ASP A 83 20.150 2.545 1.266 1.00 0.00 C ATOM 1283 OD1 ASP A 83 20.016 3.627 1.874 1.00 0.00 O ATOM 1284 OD2 ASP A 83 20.912 1.640 1.694 1.00 0.00 O ATOM 0 H ASP A 83 17.610 2.300 1.537 1.00 0.00 H new ATOM 0 HA ASP A 83 18.273 4.010 -0.537 1.00 0.00 H new ATOM 0 HB2 ASP A 83 19.370 1.238 -0.213 1.00 0.00 H new ATOM 0 HB3 ASP A 83 20.168 2.661 -0.853 1.00 0.00 H new ATOM 1289 N GLU A 84 18.187 2.406 -2.773 1.00 0.00 N ATOM 1290 CA GLU A 84 17.736 1.796 -4.000 1.00 0.00 C ATOM 1291 C GLU A 84 17.771 0.276 -3.863 1.00 0.00 C ATOM 1292 O GLU A 84 16.814 -0.366 -4.267 1.00 0.00 O ATOM 1293 CB GLU A 84 18.586 2.384 -5.128 1.00 0.00 C ATOM 1294 CG GLU A 84 18.857 1.430 -6.276 1.00 0.00 C ATOM 1295 CD GLU A 84 19.733 2.116 -7.318 1.00 0.00 C ATOM 1296 OE1 GLU A 84 20.907 2.409 -6.983 1.00 0.00 O ATOM 1297 OE2 GLU A 84 19.232 2.464 -8.409 1.00 0.00 O ATOM 0 H GLU A 84 19.049 2.942 -2.872 1.00 0.00 H new ATOM 0 HA GLU A 84 16.695 2.016 -4.237 1.00 0.00 H new ATOM 0 HB2 GLU A 84 18.085 3.270 -5.519 1.00 0.00 H new ATOM 0 HB3 GLU A 84 19.539 2.713 -4.714 1.00 0.00 H new ATOM 0 HG2 GLU A 84 19.351 0.532 -5.906 1.00 0.00 H new ATOM 0 HG3 GLU A 84 17.917 1.114 -6.728 1.00 0.00 H new ATOM 1304 N THR A 85 18.796 -0.311 -3.242 1.00 0.00 N ATOM 1305 CA THR A 85 18.877 -1.754 -3.051 1.00 0.00 C ATOM 1306 C THR A 85 17.710 -2.264 -2.197 1.00 0.00 C ATOM 1307 O THR A 85 17.132 -3.312 -2.474 1.00 0.00 O ATOM 1308 CB THR A 85 20.219 -2.097 -2.374 1.00 0.00 C ATOM 1309 OG1 THR A 85 21.245 -1.179 -2.724 1.00 0.00 O ATOM 1310 CG2 THR A 85 20.664 -3.520 -2.700 1.00 0.00 C ATOM 0 H THR A 85 19.590 0.202 -2.859 1.00 0.00 H new ATOM 0 HA THR A 85 18.816 -2.243 -4.023 1.00 0.00 H new ATOM 0 HB THR A 85 20.048 -2.021 -1.300 1.00 0.00 H new ATOM 0 HG1 THR A 85 22.078 -1.431 -2.273 1.00 0.00 H new ATOM 0 HG21 THR A 85 21.613 -3.727 -2.206 1.00 0.00 H new ATOM 0 HG22 THR A 85 19.911 -4.226 -2.349 1.00 0.00 H new ATOM 0 HG23 THR A 85 20.786 -3.625 -3.778 1.00 0.00 H new ATOM 1318 N MET A 86 17.390 -1.527 -1.133 1.00 0.00 N ATOM 1319 CA MET A 86 16.326 -1.802 -0.194 1.00 0.00 C ATOM 1320 C MET A 86 14.973 -1.749 -0.899 1.00 0.00 C ATOM 1321 O MET A 86 14.185 -2.672 -0.746 1.00 0.00 O ATOM 1322 CB MET A 86 16.433 -0.747 0.918 1.00 0.00 C ATOM 1323 CG MET A 86 17.796 -0.721 1.612 1.00 0.00 C ATOM 1324 SD MET A 86 17.893 0.470 2.976 1.00 0.00 S ATOM 1325 CE MET A 86 18.385 -0.616 4.335 1.00 0.00 C ATOM 0 H MET A 86 17.901 -0.676 -0.899 1.00 0.00 H new ATOM 0 HA MET A 86 16.414 -2.802 0.231 1.00 0.00 H new ATOM 0 HB2 MET A 86 16.232 0.237 0.494 1.00 0.00 H new ATOM 0 HB3 MET A 86 15.660 -0.937 1.662 1.00 0.00 H new ATOM 0 HG2 MET A 86 18.019 -1.717 1.994 1.00 0.00 H new ATOM 0 HG3 MET A 86 18.564 -0.482 0.877 1.00 0.00 H new ATOM 0 HE1 MET A 86 18.181 -0.124 5.286 1.00 0.00 H new ATOM 0 HE2 MET A 86 17.820 -1.547 4.280 1.00 0.00 H new ATOM 0 HE3 MET A 86 19.450 -0.833 4.260 1.00 0.00 H new ATOM 1335 N ALA A 87 14.714 -0.718 -1.704 1.00 0.00 N ATOM 1336 CA ALA A 87 13.529 -0.695 -2.547 1.00 0.00 C ATOM 1337 C ALA A 87 13.557 -1.890 -3.500 1.00 0.00 C ATOM 1338 O ALA A 87 12.600 -2.649 -3.580 1.00 0.00 O ATOM 1339 CB ALA A 87 13.464 0.629 -3.315 1.00 0.00 C ATOM 0 H ALA A 87 15.309 0.106 -1.787 1.00 0.00 H new ATOM 0 HA ALA A 87 12.634 -0.771 -1.930 1.00 0.00 H new ATOM 0 HB1 ALA A 87 12.575 0.641 -3.945 1.00 0.00 H new ATOM 0 HB2 ALA A 87 13.419 1.458 -2.608 1.00 0.00 H new ATOM 0 HB3 ALA A 87 14.352 0.732 -3.939 1.00 0.00 H new ATOM 1345 N GLN A 88 14.655 -2.093 -4.228 1.00 0.00 N ATOM 1346 CA GLN A 88 14.747 -3.067 -5.303 1.00 0.00 C ATOM 1347 C GLN A 88 14.527 -4.498 -4.803 1.00 0.00 C ATOM 1348 O GLN A 88 14.055 -5.334 -5.572 1.00 0.00 O ATOM 1349 CB GLN A 88 16.096 -2.879 -6.028 1.00 0.00 C ATOM 1350 CG GLN A 88 16.204 -3.610 -7.371 1.00 0.00 C ATOM 1351 CD GLN A 88 15.076 -3.237 -8.328 1.00 0.00 C ATOM 1352 OE1 GLN A 88 15.126 -2.214 -9.005 1.00 0.00 O ATOM 1353 NE2 GLN A 88 14.030 -4.044 -8.383 1.00 0.00 N ATOM 0 H GLN A 88 15.519 -1.572 -4.080 1.00 0.00 H new ATOM 0 HA GLN A 88 13.944 -2.896 -6.020 1.00 0.00 H new ATOM 0 HB2 GLN A 88 16.259 -1.814 -6.194 1.00 0.00 H new ATOM 0 HB3 GLN A 88 16.897 -3.226 -5.375 1.00 0.00 H new ATOM 0 HG2 GLN A 88 17.162 -3.374 -7.834 1.00 0.00 H new ATOM 0 HG3 GLN A 88 16.189 -4.686 -7.198 1.00 0.00 H new ATOM 0 HE21 GLN A 88 14.007 -4.889 -7.813 1.00 0.00 H new ATOM 0 HE22 GLN A 88 13.246 -3.821 -8.996 1.00 0.00 H new ATOM 1362 N GLN A 89 14.865 -4.789 -3.545 1.00 0.00 N ATOM 1363 CA GLN A 89 14.468 -5.982 -2.804 1.00 0.00 C ATOM 1364 C GLN A 89 12.945 -6.124 -2.833 1.00 0.00 C ATOM 1365 O GLN A 89 12.408 -7.115 -3.325 1.00 0.00 O ATOM 1366 CB GLN A 89 15.005 -5.856 -1.357 1.00 0.00 C ATOM 1367 CG GLN A 89 16.309 -6.621 -1.136 1.00 0.00 C ATOM 1368 CD GLN A 89 16.122 -8.106 -0.831 1.00 0.00 C ATOM 1369 OE1 GLN A 89 15.019 -8.639 -0.781 1.00 0.00 O ATOM 1370 NE2 GLN A 89 17.223 -8.776 -0.556 1.00 0.00 N ATOM 0 H GLN A 89 15.452 -4.166 -2.990 1.00 0.00 H new ATOM 0 HA GLN A 89 14.888 -6.880 -3.258 1.00 0.00 H new ATOM 0 HB2 GLN A 89 15.164 -4.803 -1.125 1.00 0.00 H new ATOM 0 HB3 GLN A 89 14.251 -6.225 -0.662 1.00 0.00 H new ATOM 0 HG2 GLN A 89 16.931 -6.520 -2.025 1.00 0.00 H new ATOM 0 HG3 GLN A 89 16.853 -6.158 -0.312 1.00 0.00 H new ATOM 0 HE21 GLN A 89 18.129 -8.310 -0.605 1.00 0.00 H new ATOM 0 HE22 GLN A 89 17.169 -9.760 -0.295 1.00 0.00 H new ATOM 1379 N LEU A 90 12.247 -5.125 -2.303 1.00 0.00 N ATOM 1380 CA LEU A 90 10.806 -5.132 -2.114 1.00 0.00 C ATOM 1381 C LEU A 90 10.050 -5.165 -3.449 1.00 0.00 C ATOM 1382 O LEU A 90 9.008 -5.807 -3.544 1.00 0.00 O ATOM 1383 CB LEU A 90 10.428 -3.886 -1.300 1.00 0.00 C ATOM 1384 CG LEU A 90 11.065 -3.804 0.111 1.00 0.00 C ATOM 1385 CD1 LEU A 90 10.853 -2.453 0.798 1.00 0.00 C ATOM 1386 CD2 LEU A 90 10.537 -4.853 1.098 1.00 0.00 C ATOM 0 H LEU A 90 12.686 -4.261 -1.984 1.00 0.00 H new ATOM 0 HA LEU A 90 10.518 -6.037 -1.579 1.00 0.00 H new ATOM 0 HB2 LEU A 90 10.719 -3.000 -1.865 1.00 0.00 H new ATOM 0 HB3 LEU A 90 9.344 -3.855 -1.194 1.00 0.00 H new ATOM 0 HG LEU A 90 12.120 -3.976 -0.104 1.00 0.00 H new ATOM 0 HD11 LEU A 90 11.325 -2.466 1.781 1.00 0.00 H new ATOM 0 HD12 LEU A 90 11.298 -1.663 0.193 1.00 0.00 H new ATOM 0 HD13 LEU A 90 9.785 -2.266 0.911 1.00 0.00 H new ATOM 0 HD21 LEU A 90 11.032 -4.728 2.061 1.00 0.00 H new ATOM 0 HD22 LEU A 90 9.462 -4.726 1.224 1.00 0.00 H new ATOM 0 HD23 LEU A 90 10.741 -5.852 0.712 1.00 0.00 H new ATOM 1398 N ILE A 91 10.575 -4.515 -4.482 1.00 0.00 N ATOM 1399 CA ILE A 91 10.044 -4.536 -5.846 1.00 0.00 C ATOM 1400 C ILE A 91 10.106 -5.963 -6.413 1.00 0.00 C ATOM 1401 O ILE A 91 9.129 -6.462 -6.977 1.00 0.00 O ATOM 1402 CB ILE A 91 10.835 -3.494 -6.673 1.00 0.00 C ATOM 1403 CG1 ILE A 91 10.386 -2.066 -6.275 1.00 0.00 C ATOM 1404 CG2 ILE A 91 10.717 -3.676 -8.198 1.00 0.00 C ATOM 1405 CD1 ILE A 91 11.511 -1.042 -6.350 1.00 0.00 C ATOM 0 H ILE A 91 11.411 -3.938 -4.393 1.00 0.00 H new ATOM 0 HA ILE A 91 8.990 -4.258 -5.879 1.00 0.00 H new ATOM 0 HB ILE A 91 11.887 -3.650 -6.435 1.00 0.00 H new ATOM 0 HG12 ILE A 91 9.573 -1.752 -6.929 1.00 0.00 H new ATOM 0 HG13 ILE A 91 9.989 -2.086 -5.260 1.00 0.00 H new ATOM 0 HG21 ILE A 91 11.300 -2.906 -8.703 1.00 0.00 H new ATOM 0 HG22 ILE A 91 11.095 -4.659 -8.477 1.00 0.00 H new ATOM 0 HG23 ILE A 91 9.672 -3.592 -8.495 1.00 0.00 H new ATOM 0 HD11 ILE A 91 11.131 -0.062 -6.059 1.00 0.00 H new ATOM 0 HD12 ILE A 91 12.315 -1.335 -5.675 1.00 0.00 H new ATOM 0 HD13 ILE A 91 11.893 -0.995 -7.370 1.00 0.00 H new ATOM 1417 N ASP A 92 11.242 -6.654 -6.246 1.00 0.00 N ATOM 1418 CA ASP A 92 11.404 -8.036 -6.724 1.00 0.00 C ATOM 1419 C ASP A 92 10.348 -8.940 -6.107 1.00 0.00 C ATOM 1420 O ASP A 92 9.793 -9.824 -6.765 1.00 0.00 O ATOM 1421 CB ASP A 92 12.791 -8.586 -6.345 1.00 0.00 C ATOM 1422 CG ASP A 92 13.377 -9.498 -7.425 1.00 0.00 C ATOM 1423 OD1 ASP A 92 14.080 -8.974 -8.318 1.00 0.00 O ATOM 1424 OD2 ASP A 92 13.166 -10.738 -7.410 1.00 0.00 O ATOM 0 H ASP A 92 12.067 -6.276 -5.781 1.00 0.00 H new ATOM 0 HA ASP A 92 11.297 -8.022 -7.809 1.00 0.00 H new ATOM 0 HB2 ASP A 92 13.472 -7.754 -6.169 1.00 0.00 H new ATOM 0 HB3 ASP A 92 12.715 -9.140 -5.409 1.00 0.00 H new ATOM 1429 N ILE A 93 10.086 -8.701 -4.824 1.00 0.00 N ATOM 1430 CA ILE A 93 9.076 -9.354 -4.023 1.00 0.00 C ATOM 1431 C ILE A 93 7.651 -9.051 -4.501 1.00 0.00 C ATOM 1432 O ILE A 93 6.881 -10.009 -4.575 1.00 0.00 O ATOM 1433 CB ILE A 93 9.340 -8.994 -2.547 1.00 0.00 C ATOM 1434 CG1 ILE A 93 10.667 -9.646 -2.105 1.00 0.00 C ATOM 1435 CG2 ILE A 93 8.173 -9.419 -1.650 1.00 0.00 C ATOM 1436 CD1 ILE A 93 11.162 -9.207 -0.723 1.00 0.00 C ATOM 0 H ILE A 93 10.608 -8.004 -4.293 1.00 0.00 H new ATOM 0 HA ILE A 93 9.149 -10.436 -4.135 1.00 0.00 H new ATOM 0 HB ILE A 93 9.425 -7.912 -2.448 1.00 0.00 H new ATOM 0 HG12 ILE A 93 10.543 -10.729 -2.105 1.00 0.00 H new ATOM 0 HG13 ILE A 93 11.435 -9.413 -2.843 1.00 0.00 H new ATOM 0 HG21 ILE A 93 8.392 -9.150 -0.617 1.00 0.00 H new ATOM 0 HG22 ILE A 93 7.263 -8.912 -1.972 1.00 0.00 H new ATOM 0 HG23 ILE A 93 8.032 -10.497 -1.723 1.00 0.00 H new ATOM 0 HD11 ILE A 93 12.099 -9.714 -0.494 1.00 0.00 H new ATOM 0 HD12 ILE A 93 11.323 -8.129 -0.720 1.00 0.00 H new ATOM 0 HD13 ILE A 93 10.417 -9.465 0.029 1.00 0.00 H new ATOM 1448 N VAL A 94 7.270 -7.809 -4.828 1.00 0.00 N ATOM 1449 CA VAL A 94 5.931 -7.523 -5.370 1.00 0.00 C ATOM 1450 C VAL A 94 5.726 -8.381 -6.608 1.00 0.00 C ATOM 1451 O VAL A 94 4.769 -9.161 -6.678 1.00 0.00 O ATOM 1452 CB VAL A 94 5.739 -6.015 -5.669 1.00 0.00 C ATOM 1453 CG1 VAL A 94 4.467 -5.668 -6.477 1.00 0.00 C ATOM 1454 CG2 VAL A 94 5.642 -5.274 -4.336 1.00 0.00 C ATOM 0 H VAL A 94 7.866 -6.988 -4.728 1.00 0.00 H new ATOM 0 HA VAL A 94 5.174 -7.773 -4.626 1.00 0.00 H new ATOM 0 HB VAL A 94 6.593 -5.719 -6.278 1.00 0.00 H new ATOM 0 HG11 VAL A 94 4.420 -4.591 -6.636 1.00 0.00 H new ATOM 0 HG12 VAL A 94 4.498 -6.176 -7.441 1.00 0.00 H new ATOM 0 HG13 VAL A 94 3.585 -5.992 -5.924 1.00 0.00 H new ATOM 0 HG21 VAL A 94 5.506 -4.208 -4.521 1.00 0.00 H new ATOM 0 HG22 VAL A 94 4.793 -5.655 -3.769 1.00 0.00 H new ATOM 0 HG23 VAL A 94 6.558 -5.429 -3.766 1.00 0.00 H new ATOM 1464 N HIS A 95 6.655 -8.296 -7.558 1.00 0.00 N ATOM 1465 CA HIS A 95 6.483 -8.971 -8.830 1.00 0.00 C ATOM 1466 C HIS A 95 6.670 -10.477 -8.666 1.00 0.00 C ATOM 1467 O HIS A 95 6.191 -11.251 -9.491 1.00 0.00 O ATOM 1468 CB HIS A 95 7.453 -8.346 -9.830 1.00 0.00 C ATOM 1469 CG HIS A 95 7.214 -6.870 -10.038 1.00 0.00 C ATOM 1470 ND1 HIS A 95 8.175 -5.953 -10.368 1.00 0.00 N ATOM 1471 CD2 HIS A 95 6.041 -6.180 -9.866 1.00 0.00 C ATOM 1472 CE1 HIS A 95 7.584 -4.754 -10.436 1.00 0.00 C ATOM 1473 NE2 HIS A 95 6.269 -4.836 -10.179 1.00 0.00 N ATOM 0 H HIS A 95 7.524 -7.770 -7.467 1.00 0.00 H new ATOM 0 HA HIS A 95 5.470 -8.842 -9.211 1.00 0.00 H new ATOM 0 HB2 HIS A 95 8.474 -8.498 -9.481 1.00 0.00 H new ATOM 0 HB3 HIS A 95 7.363 -8.862 -10.786 1.00 0.00 H new ATOM 0 HD2 HIS A 95 5.101 -6.603 -9.544 1.00 0.00 H new ATOM 0 HE1 HIS A 95 8.101 -3.835 -10.669 1.00 0.00 H new ATOM 0 HE2 HIS A 95 5.584 -4.081 -10.206 1.00 0.00 H new ATOM 1481 N GLY A 96 7.321 -10.902 -7.583 1.00 0.00 N ATOM 1482 CA GLY A 96 7.487 -12.288 -7.187 1.00 0.00 C ATOM 1483 C GLY A 96 6.198 -12.855 -6.598 1.00 0.00 C ATOM 1484 O GLY A 96 5.902 -14.048 -6.718 1.00 0.00 O ATOM 0 H GLY A 96 7.765 -10.254 -6.932 1.00 0.00 H new ATOM 0 HA2 GLY A 96 7.787 -12.882 -8.051 1.00 0.00 H new ATOM 0 HA3 GLY A 96 8.289 -12.365 -6.453 1.00 0.00 H new ATOM 1488 N CYS A 97 5.408 -11.990 -5.969 1.00 0.00 N ATOM 1489 CA CYS A 97 4.223 -12.340 -5.213 1.00 0.00 C ATOM 1490 C CYS A 97 3.011 -12.392 -6.120 1.00 0.00 C ATOM 1491 O CYS A 97 2.089 -13.159 -5.838 1.00 0.00 O ATOM 1492 CB CYS A 97 4.013 -11.363 -4.056 1.00 0.00 C ATOM 1493 SG CYS A 97 4.972 -11.809 -2.588 1.00 0.00 S ATOM 0 H CYS A 97 5.589 -10.986 -5.976 1.00 0.00 H new ATOM 0 HA CYS A 97 4.363 -13.333 -4.786 1.00 0.00 H new ATOM 0 HB2 CYS A 97 4.292 -10.360 -4.377 1.00 0.00 H new ATOM 0 HB3 CYS A 97 2.954 -11.332 -3.799 1.00 0.00 H new ATOM 1498 N GLU A 98 3.036 -11.692 -7.254 1.00 0.00 N ATOM 1499 CA GLU A 98 2.083 -11.935 -8.323 1.00 0.00 C ATOM 1500 C GLU A 98 2.139 -13.397 -8.790 1.00 0.00 C ATOM 1501 O GLU A 98 1.156 -13.910 -9.325 1.00 0.00 O ATOM 1502 CB GLU A 98 2.406 -11.077 -9.538 1.00 0.00 C ATOM 1503 CG GLU A 98 2.218 -9.587 -9.325 1.00 0.00 C ATOM 1504 CD GLU A 98 2.503 -8.867 -10.646 1.00 0.00 C ATOM 1505 OE1 GLU A 98 1.657 -8.903 -11.570 1.00 0.00 O ATOM 1506 OE2 GLU A 98 3.599 -8.286 -10.806 1.00 0.00 O ATOM 0 H GLU A 98 3.710 -10.952 -7.451 1.00 0.00 H new ATOM 0 HA GLU A 98 1.098 -11.694 -7.924 1.00 0.00 H new ATOM 0 HB2 GLU A 98 3.439 -11.261 -9.833 1.00 0.00 H new ATOM 0 HB3 GLU A 98 1.776 -11.395 -10.369 1.00 0.00 H new ATOM 0 HG2 GLU A 98 1.202 -9.377 -8.991 1.00 0.00 H new ATOM 0 HG3 GLU A 98 2.890 -9.228 -8.545 1.00 0.00 H new ATOM 1513 N LYS A 99 3.304 -14.051 -8.657 1.00 0.00 N ATOM 1514 CA LYS A 99 3.545 -15.358 -9.263 1.00 0.00 C ATOM 1515 C LYS A 99 3.059 -16.466 -8.354 1.00 0.00 C ATOM 1516 O LYS A 99 2.405 -17.396 -8.819 1.00 0.00 O ATOM 1517 CB LYS A 99 5.002 -15.580 -9.645 1.00 0.00 C ATOM 1518 CG LYS A 99 5.640 -14.383 -10.323 1.00 0.00 C ATOM 1519 CD LYS A 99 4.888 -13.851 -11.538 1.00 0.00 C ATOM 1520 CE LYS A 99 5.031 -14.734 -12.771 1.00 0.00 C ATOM 1521 NZ LYS A 99 4.148 -14.255 -13.850 1.00 0.00 N ATOM 0 H LYS A 99 4.097 -13.686 -8.129 1.00 0.00 H new ATOM 0 HA LYS A 99 2.974 -15.378 -10.191 1.00 0.00 H new ATOM 0 HB2 LYS A 99 5.571 -15.825 -8.748 1.00 0.00 H new ATOM 0 HB3 LYS A 99 5.068 -16.441 -10.310 1.00 0.00 H new ATOM 0 HG2 LYS A 99 5.734 -13.579 -9.593 1.00 0.00 H new ATOM 0 HG3 LYS A 99 6.650 -14.655 -10.630 1.00 0.00 H new ATOM 0 HD2 LYS A 99 3.831 -13.756 -11.289 1.00 0.00 H new ATOM 0 HD3 LYS A 99 5.252 -12.851 -11.772 1.00 0.00 H new ATOM 0 HE2 LYS A 99 6.067 -14.730 -13.111 1.00 0.00 H new ATOM 0 HE3 LYS A 99 4.782 -15.765 -12.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 4.256 -14.867 -14.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 3.160 -14.281 -13.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 4.404 -13.279 -14.101 1.00 0.00 H new ATOM 1535 N SER A 100 3.376 -16.369 -7.063 1.00 0.00 N ATOM 1536 CA SER A 100 2.887 -17.324 -6.091 1.00 0.00 C ATOM 1537 C SER A 100 1.361 -17.228 -5.990 1.00 0.00 C ATOM 1538 O SER A 100 0.689 -18.258 -5.902 1.00 0.00 O ATOM 1539 CB SER A 100 3.628 -17.125 -4.768 1.00 0.00 C ATOM 1540 OG SER A 100 3.596 -15.778 -4.320 1.00 0.00 O ATOM 0 H SER A 100 3.970 -15.636 -6.674 1.00 0.00 H new ATOM 0 HA SER A 100 3.095 -18.347 -6.403 1.00 0.00 H new ATOM 0 HB2 SER A 100 3.184 -17.767 -4.007 1.00 0.00 H new ATOM 0 HB3 SER A 100 4.665 -17.440 -4.886 1.00 0.00 H new ATOM 0 HG SER A 100 3.919 -15.733 -3.396 1.00 0.00 H new ATOM 1546 N THR A 101 0.807 -16.014 -6.081 1.00 0.00 N ATOM 1547 CA THR A 101 -0.633 -15.781 -6.005 1.00 0.00 C ATOM 1548 C THR A 101 -1.300 -16.273 -7.299 1.00 0.00 C ATOM 1549 O THR A 101 -0.861 -15.881 -8.377 1.00 0.00 O ATOM 1550 CB THR A 101 -0.919 -14.292 -5.747 1.00 0.00 C ATOM 1551 OG1 THR A 101 -0.118 -13.846 -4.663 1.00 0.00 O ATOM 1552 CG2 THR A 101 -2.376 -14.020 -5.377 1.00 0.00 C ATOM 0 H THR A 101 1.352 -15.162 -6.210 1.00 0.00 H new ATOM 0 HA THR A 101 -1.053 -16.342 -5.170 1.00 0.00 H new ATOM 0 HB THR A 101 -0.694 -13.765 -6.674 1.00 0.00 H new ATOM 0 HG1 THR A 101 0.815 -13.772 -4.954 1.00 0.00 H new ATOM 0 HG21 THR A 101 -2.515 -12.952 -5.207 1.00 0.00 H new ATOM 0 HG22 THR A 101 -3.025 -14.346 -6.190 1.00 0.00 H new ATOM 0 HG23 THR A 101 -2.629 -14.568 -4.469 1.00 0.00 H new ATOM 1560 N PRO A 102 -2.323 -17.141 -7.239 1.00 0.00 N ATOM 1561 CA PRO A 102 -3.046 -17.585 -8.428 1.00 0.00 C ATOM 1562 C PRO A 102 -3.944 -16.470 -8.987 1.00 0.00 C ATOM 1563 O PRO A 102 -4.615 -15.767 -8.226 1.00 0.00 O ATOM 1564 CB PRO A 102 -3.853 -18.799 -7.965 1.00 0.00 C ATOM 1565 CG PRO A 102 -4.067 -18.562 -6.472 1.00 0.00 C ATOM 1566 CD PRO A 102 -2.827 -17.794 -6.038 1.00 0.00 C ATOM 0 HA PRO A 102 -2.375 -17.842 -9.247 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -4.802 -18.872 -8.496 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -3.313 -19.728 -8.147 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -4.976 -17.990 -6.285 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -4.164 -19.502 -5.929 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -3.070 -17.062 -5.268 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -2.080 -18.465 -5.615 1.00 0.00 H new ATOM 1574 N ALA A 103 -3.997 -16.338 -10.315 1.00 0.00 N ATOM 1575 CA ALA A 103 -4.758 -15.357 -11.069 1.00 0.00 C ATOM 1576 C ALA A 103 -6.250 -15.474 -10.761 1.00 0.00 C ATOM 1577 O ALA A 103 -6.954 -16.361 -11.251 1.00 0.00 O ATOM 1578 CB ALA A 103 -4.475 -15.523 -12.562 1.00 0.00 C ATOM 0 H ALA A 103 -3.470 -16.960 -10.928 1.00 0.00 H new ATOM 0 HA ALA A 103 -4.447 -14.356 -10.771 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -5.047 -14.786 -13.125 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -3.411 -15.377 -12.749 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -4.764 -16.525 -12.878 1.00 0.00 H new ATOM 1584 N ASN A 104 -6.703 -14.583 -9.890 1.00 0.00 N ATOM 1585 CA ASN A 104 -8.108 -14.406 -9.540 1.00 0.00 C ATOM 1586 C ASN A 104 -8.818 -13.565 -10.600 1.00 0.00 C ATOM 1587 O ASN A 104 -8.227 -12.649 -11.173 1.00 0.00 O ATOM 1588 CB ASN A 104 -8.233 -13.712 -8.176 1.00 0.00 C ATOM 1589 CG ASN A 104 -9.534 -14.038 -7.478 1.00 0.00 C ATOM 1590 OD1 ASN A 104 -10.618 -13.883 -8.017 1.00 0.00 O ATOM 1591 ND2 ASN A 104 -9.452 -14.523 -6.262 1.00 0.00 N ATOM 0 H ASN A 104 -6.085 -13.943 -9.391 1.00 0.00 H new ATOM 0 HA ASN A 104 -8.574 -15.390 -9.489 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -7.399 -14.012 -7.542 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -8.158 -12.633 -8.313 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -10.300 -14.776 -5.755 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -8.540 -14.648 -5.823 1.00 0.00 H new ATOM 1598 N ASP A 105 -10.106 -13.834 -10.795 1.00 0.00 N ATOM 1599 CA ASP A 105 -11.081 -13.013 -11.484 1.00 0.00 C ATOM 1600 C ASP A 105 -11.184 -11.618 -10.870 1.00 0.00 C ATOM 1601 O ASP A 105 -11.300 -10.635 -11.606 1.00 0.00 O ATOM 1602 CB ASP A 105 -12.429 -13.741 -11.430 1.00 0.00 C ATOM 1603 CG ASP A 105 -13.659 -12.904 -11.794 1.00 0.00 C ATOM 1604 OD1 ASP A 105 -13.657 -12.104 -12.756 1.00 0.00 O ATOM 1605 OD2 ASP A 105 -14.708 -13.130 -11.147 1.00 0.00 O ATOM 0 H ASP A 105 -10.520 -14.699 -10.447 1.00 0.00 H new ATOM 0 HA ASP A 105 -10.771 -12.868 -12.519 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -12.384 -14.597 -12.103 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -12.567 -14.134 -10.423 1.00 0.00 H new ATOM 1610 N ASP A 106 -11.100 -11.515 -9.539 1.00 0.00 N ATOM 1611 CA ASP A 106 -11.209 -10.238 -8.850 1.00 0.00 C ATOM 1612 C ASP A 106 -9.801 -9.723 -8.612 1.00 0.00 C ATOM 1613 O ASP A 106 -9.055 -10.297 -7.805 1.00 0.00 O ATOM 1614 CB ASP A 106 -11.943 -10.338 -7.504 1.00 0.00 C ATOM 1615 CG ASP A 106 -12.419 -8.962 -7.026 1.00 0.00 C ATOM 1616 OD1 ASP A 106 -11.900 -7.932 -7.508 1.00 0.00 O ATOM 1617 OD2 ASP A 106 -13.310 -8.918 -6.146 1.00 0.00 O ATOM 0 H ASP A 106 -10.956 -12.312 -8.919 1.00 0.00 H new ATOM 0 HA ASP A 106 -11.795 -9.564 -9.475 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -12.798 -11.007 -7.602 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -11.280 -10.775 -6.757 1.00 0.00 H new ATOM 1622 N LYS A 107 -9.412 -8.639 -9.289 1.00 0.00 N ATOM 1623 CA LYS A 107 -8.134 -8.017 -9.029 1.00 0.00 C ATOM 1624 C LYS A 107 -8.027 -7.587 -7.568 1.00 0.00 C ATOM 1625 O LYS A 107 -6.914 -7.588 -7.055 1.00 0.00 O ATOM 1626 CB LYS A 107 -7.919 -6.831 -9.979 1.00 0.00 C ATOM 1627 CG LYS A 107 -6.678 -7.011 -10.865 1.00 0.00 C ATOM 1628 CD LYS A 107 -7.049 -7.663 -12.200 1.00 0.00 C ATOM 1629 CE LYS A 107 -7.684 -6.625 -13.134 1.00 0.00 C ATOM 1630 NZ LYS A 107 -6.721 -5.619 -13.623 1.00 0.00 N ATOM 0 H LYS A 107 -9.967 -8.185 -10.014 1.00 0.00 H new ATOM 0 HA LYS A 107 -7.346 -8.747 -9.214 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -8.799 -6.710 -10.611 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -7.817 -5.916 -9.396 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -6.212 -6.042 -11.046 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -5.943 -7.627 -10.347 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -6.160 -8.087 -12.666 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -7.744 -8.486 -12.031 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -8.130 -7.137 -13.987 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -8.493 -6.119 -12.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -7.118 -5.132 -14.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -6.532 -4.925 -12.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -5.833 -6.090 -13.891 1.00 0.00 H new ATOM 1644 N CYS A 108 -9.129 -7.285 -6.874 1.00 0.00 N ATOM 1645 CA CYS A 108 -9.106 -6.934 -5.460 1.00 0.00 C ATOM 1646 C CYS A 108 -8.568 -8.097 -4.628 1.00 0.00 C ATOM 1647 O CYS A 108 -7.588 -7.945 -3.899 1.00 0.00 O ATOM 1648 CB CYS A 108 -10.508 -6.511 -5.001 1.00 0.00 C ATOM 1649 SG CYS A 108 -11.072 -5.050 -5.903 1.00 0.00 S ATOM 0 H CYS A 108 -10.063 -7.279 -7.284 1.00 0.00 H new ATOM 0 HA CYS A 108 -8.434 -6.088 -5.312 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -11.208 -7.332 -5.157 1.00 0.00 H new ATOM 0 HB3 CYS A 108 -10.496 -6.300 -3.932 1.00 0.00 H new ATOM 1654 N ILE A 109 -9.207 -9.260 -4.748 1.00 0.00 N ATOM 1655 CA ILE A 109 -8.885 -10.475 -4.009 1.00 0.00 C ATOM 1656 C ILE A 109 -7.471 -10.954 -4.356 1.00 0.00 C ATOM 1657 O ILE A 109 -6.722 -11.348 -3.456 1.00 0.00 O ATOM 1658 CB ILE A 109 -10.013 -11.506 -4.272 1.00 0.00 C ATOM 1659 CG1 ILE A 109 -11.362 -10.971 -3.729 1.00 0.00 C ATOM 1660 CG2 ILE A 109 -9.673 -12.834 -3.591 1.00 0.00 C ATOM 1661 CD1 ILE A 109 -12.579 -11.854 -4.015 1.00 0.00 C ATOM 0 H ILE A 109 -9.992 -9.384 -5.387 1.00 0.00 H new ATOM 0 HA ILE A 109 -8.854 -10.303 -2.933 1.00 0.00 H new ATOM 0 HB ILE A 109 -10.101 -11.665 -5.347 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -11.274 -10.840 -2.650 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -11.541 -9.984 -4.156 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -10.469 -13.554 -3.780 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -8.734 -13.218 -3.991 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -9.573 -12.677 -2.517 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -13.471 -11.391 -3.594 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -12.702 -11.966 -5.092 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -12.431 -12.835 -3.563 1.00 0.00 H new ATOM 1673 N TRP A 110 -7.089 -10.882 -5.631 1.00 0.00 N ATOM 1674 CA TRP A 110 -5.716 -11.106 -6.060 1.00 0.00 C ATOM 1675 C TRP A 110 -4.762 -10.152 -5.330 1.00 0.00 C ATOM 1676 O TRP A 110 -3.819 -10.614 -4.697 1.00 0.00 O ATOM 1677 CB TRP A 110 -5.635 -10.956 -7.581 1.00 0.00 C ATOM 1678 CG TRP A 110 -4.300 -11.211 -8.194 1.00 0.00 C ATOM 1679 CD1 TRP A 110 -3.763 -12.423 -8.446 1.00 0.00 C ATOM 1680 CD2 TRP A 110 -3.347 -10.235 -8.697 1.00 0.00 C ATOM 1681 NE1 TRP A 110 -2.543 -12.265 -9.075 1.00 0.00 N ATOM 1682 CE2 TRP A 110 -2.229 -10.931 -9.248 1.00 0.00 C ATOM 1683 CE3 TRP A 110 -3.338 -8.827 -8.754 1.00 0.00 C ATOM 1684 CZ2 TRP A 110 -1.144 -10.252 -9.831 1.00 0.00 C ATOM 1685 CZ3 TRP A 110 -2.271 -8.140 -9.353 1.00 0.00 C ATOM 1686 CH2 TRP A 110 -1.187 -8.846 -9.893 1.00 0.00 C ATOM 0 H TRP A 110 -7.729 -10.666 -6.395 1.00 0.00 H new ATOM 0 HA TRP A 110 -5.405 -12.118 -5.801 1.00 0.00 H new ATOM 0 HB2 TRP A 110 -6.356 -11.638 -8.032 1.00 0.00 H new ATOM 0 HB3 TRP A 110 -5.946 -9.945 -7.843 1.00 0.00 H new ATOM 0 HD1 TRP A 110 -4.217 -13.370 -8.195 1.00 0.00 H new ATOM 0 HE1 TRP A 110 -1.948 -13.038 -9.374 1.00 0.00 H new ATOM 0 HE3 TRP A 110 -4.162 -8.270 -8.332 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 -0.297 -10.797 -10.222 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 -2.285 -7.061 -9.398 1.00 0.00 H new ATOM 0 HH2 TRP A 110 -0.377 -8.306 -10.361 1.00 0.00 H new ATOM 1697 N THR A 111 -5.015 -8.843 -5.367 1.00 0.00 N ATOM 1698 CA THR A 111 -4.165 -7.802 -4.791 1.00 0.00 C ATOM 1699 C THR A 111 -3.942 -8.017 -3.287 1.00 0.00 C ATOM 1700 O THR A 111 -2.809 -7.866 -2.818 1.00 0.00 O ATOM 1701 CB THR A 111 -4.760 -6.425 -5.163 1.00 0.00 C ATOM 1702 OG1 THR A 111 -4.682 -6.291 -6.565 1.00 0.00 O ATOM 1703 CG2 THR A 111 -4.092 -5.192 -4.549 1.00 0.00 C ATOM 0 H THR A 111 -5.849 -8.465 -5.816 1.00 0.00 H new ATOM 0 HA THR A 111 -3.161 -7.850 -5.213 1.00 0.00 H new ATOM 0 HB THR A 111 -5.771 -6.436 -4.757 1.00 0.00 H new ATOM 0 HG1 THR A 111 -5.306 -6.916 -6.989 1.00 0.00 H new ATOM 0 HG21 THR A 111 -4.605 -4.293 -4.890 1.00 0.00 H new ATOM 0 HG22 THR A 111 -4.148 -5.251 -3.462 1.00 0.00 H new ATOM 0 HG23 THR A 111 -3.047 -5.153 -4.857 1.00 0.00 H new ATOM 1711 N LEU A 112 -4.952 -8.426 -2.506 1.00 0.00 N ATOM 1712 CA LEU A 112 -4.747 -8.803 -1.111 1.00 0.00 C ATOM 1713 C LEU A 112 -3.804 -9.994 -1.046 1.00 0.00 C ATOM 1714 O LEU A 112 -2.830 -9.938 -0.297 1.00 0.00 O ATOM 1715 CB LEU A 112 -6.103 -9.072 -0.452 1.00 0.00 C ATOM 1716 CG LEU A 112 -6.137 -9.519 1.016 1.00 0.00 C ATOM 1717 CD1 LEU A 112 -5.878 -11.017 1.132 1.00 0.00 C ATOM 1718 CD2 LEU A 112 -5.215 -8.686 1.912 1.00 0.00 C ATOM 0 H LEU A 112 -5.919 -8.502 -2.823 1.00 0.00 H new ATOM 0 HA LEU A 112 -4.278 -7.993 -0.553 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -6.696 -8.161 -0.533 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -6.610 -9.836 -1.041 1.00 0.00 H new ATOM 0 HG LEU A 112 -7.143 -9.332 1.391 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -5.907 -11.311 2.181 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -6.644 -11.562 0.581 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -4.897 -11.250 0.717 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -5.281 -9.048 2.938 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -4.187 -8.776 1.561 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -5.520 -7.640 1.876 1.00 0.00 H new ATOM 1730 N GLY A 113 -4.070 -11.041 -1.832 1.00 0.00 N ATOM 1731 CA GLY A 113 -3.203 -12.210 -1.910 1.00 0.00 C ATOM 1732 C GLY A 113 -1.733 -11.836 -2.145 1.00 0.00 C ATOM 1733 O GLY A 113 -0.863 -12.282 -1.384 1.00 0.00 O ATOM 0 H GLY A 113 -4.894 -11.098 -2.431 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -3.286 -12.782 -0.986 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -3.543 -12.858 -2.718 1.00 0.00 H new ATOM 1737 N VAL A 114 -1.467 -10.989 -3.147 1.00 0.00 N ATOM 1738 CA VAL A 114 -0.152 -10.439 -3.471 1.00 0.00 C ATOM 1739 C VAL A 114 0.429 -9.739 -2.230 1.00 0.00 C ATOM 1740 O VAL A 114 1.551 -10.041 -1.833 1.00 0.00 O ATOM 1741 CB VAL A 114 -0.245 -9.520 -4.715 1.00 0.00 C ATOM 1742 CG1 VAL A 114 1.093 -8.855 -5.063 1.00 0.00 C ATOM 1743 CG2 VAL A 114 -0.677 -10.312 -5.960 1.00 0.00 C ATOM 0 H VAL A 114 -2.195 -10.656 -3.779 1.00 0.00 H new ATOM 0 HA VAL A 114 0.540 -11.238 -3.739 1.00 0.00 H new ATOM 0 HB VAL A 114 -0.979 -8.759 -4.451 1.00 0.00 H new ATOM 0 HG11 VAL A 114 0.967 -8.223 -5.942 1.00 0.00 H new ATOM 0 HG12 VAL A 114 1.426 -8.245 -4.223 1.00 0.00 H new ATOM 0 HG13 VAL A 114 1.838 -9.623 -5.271 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -0.733 -9.641 -6.817 1.00 0.00 H new ATOM 0 HG22 VAL A 114 0.051 -11.098 -6.162 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -1.655 -10.760 -5.785 1.00 0.00 H new ATOM 1753 N ALA A 115 -0.311 -8.842 -1.567 1.00 0.00 N ATOM 1754 CA ALA A 115 0.211 -8.100 -0.419 1.00 0.00 C ATOM 1755 C ALA A 115 0.449 -8.968 0.821 1.00 0.00 C ATOM 1756 O ALA A 115 1.375 -8.686 1.585 1.00 0.00 O ATOM 1757 CB ALA A 115 -0.717 -6.942 -0.057 1.00 0.00 C ATOM 0 H ALA A 115 -1.275 -8.614 -1.809 1.00 0.00 H new ATOM 0 HA ALA A 115 1.183 -7.721 -0.734 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -0.310 -6.404 0.799 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -0.801 -6.264 -0.906 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -1.703 -7.331 0.195 1.00 0.00 H new ATOM 1763 N THR A 116 -0.359 -10.006 1.071 1.00 0.00 N ATOM 1764 CA THR A 116 -0.078 -10.914 2.189 1.00 0.00 C ATOM 1765 C THR A 116 1.251 -11.632 1.920 1.00 0.00 C ATOM 1766 O THR A 116 2.087 -11.738 2.817 1.00 0.00 O ATOM 1767 CB THR A 116 -1.213 -11.931 2.406 1.00 0.00 C ATOM 1768 OG1 THR A 116 -2.503 -11.373 2.240 1.00 0.00 O ATOM 1769 CG2 THR A 116 -1.150 -12.546 3.808 1.00 0.00 C ATOM 0 H THR A 116 -1.192 -10.235 0.529 1.00 0.00 H new ATOM 0 HA THR A 116 -0.006 -10.327 3.105 1.00 0.00 H new ATOM 0 HB THR A 116 -1.058 -12.692 1.641 1.00 0.00 H new ATOM 0 HG1 THR A 116 -2.603 -11.048 1.321 1.00 0.00 H new ATOM 0 HG21 THR A 116 -1.965 -13.260 3.929 1.00 0.00 H new ATOM 0 HG22 THR A 116 -0.197 -13.058 3.938 1.00 0.00 H new ATOM 0 HG23 THR A 116 -1.244 -11.758 4.555 1.00 0.00 H new ATOM 1777 N CYS A 117 1.454 -12.068 0.670 1.00 0.00 N ATOM 1778 CA CYS A 117 2.715 -12.633 0.230 1.00 0.00 C ATOM 1779 C CYS A 117 3.847 -11.627 0.428 1.00 0.00 C ATOM 1780 O CYS A 117 4.873 -12.019 0.986 1.00 0.00 O ATOM 1781 CB CYS A 117 2.591 -13.111 -1.219 1.00 0.00 C ATOM 1782 SG CYS A 117 4.141 -13.591 -2.014 1.00 0.00 S ATOM 0 H CYS A 117 0.741 -12.034 -0.058 1.00 0.00 H new ATOM 0 HA CYS A 117 2.963 -13.504 0.837 1.00 0.00 H new ATOM 0 HB2 CYS A 117 1.910 -13.962 -1.246 1.00 0.00 H new ATOM 0 HB3 CYS A 117 2.132 -12.317 -1.807 1.00 0.00 H new ATOM 1787 N PHE A 118 3.665 -10.353 0.034 1.00 0.00 N ATOM 1788 CA PHE A 118 4.690 -9.340 0.205 1.00 0.00 C ATOM 1789 C PHE A 118 5.155 -9.324 1.666 1.00 0.00 C ATOM 1790 O PHE A 118 6.302 -9.651 1.955 1.00 0.00 O ATOM 1791 CB PHE A 118 4.172 -7.974 -0.295 1.00 0.00 C ATOM 1792 CG PHE A 118 5.146 -6.814 -0.190 1.00 0.00 C ATOM 1793 CD1 PHE A 118 6.494 -7.042 0.114 1.00 0.00 C ATOM 1794 CD2 PHE A 118 4.722 -5.492 -0.409 1.00 0.00 C ATOM 1795 CE1 PHE A 118 7.409 -5.993 0.184 1.00 0.00 C ATOM 1796 CE2 PHE A 118 5.628 -4.425 -0.289 1.00 0.00 C ATOM 1797 CZ PHE A 118 6.967 -4.676 0.023 1.00 0.00 C ATOM 0 H PHE A 118 2.810 -10.013 -0.405 1.00 0.00 H new ATOM 0 HA PHE A 118 5.565 -9.574 -0.401 1.00 0.00 H new ATOM 0 HB2 PHE A 118 3.875 -8.080 -1.338 1.00 0.00 H new ATOM 0 HB3 PHE A 118 3.274 -7.720 0.268 1.00 0.00 H new ATOM 0 HD1 PHE A 118 6.831 -8.051 0.298 1.00 0.00 H new ATOM 0 HD2 PHE A 118 3.693 -5.295 -0.671 1.00 0.00 H new ATOM 0 HE1 PHE A 118 8.455 -6.196 0.362 1.00 0.00 H new ATOM 0 HE2 PHE A 118 5.290 -3.410 -0.438 1.00 0.00 H new ATOM 0 HZ PHE A 118 7.659 -3.855 0.139 1.00 0.00 H new ATOM 1807 N LYS A 119 4.251 -9.013 2.593 1.00 0.00 N ATOM 1808 CA LYS A 119 4.486 -9.014 4.041 1.00 0.00 C ATOM 1809 C LYS A 119 5.348 -10.179 4.489 1.00 0.00 C ATOM 1810 O LYS A 119 6.351 -10.008 5.177 1.00 0.00 O ATOM 1811 CB LYS A 119 3.149 -9.103 4.784 1.00 0.00 C ATOM 1812 CG LYS A 119 3.374 -8.732 6.256 1.00 0.00 C ATOM 1813 CD LYS A 119 2.081 -8.624 7.056 1.00 0.00 C ATOM 1814 CE LYS A 119 2.437 -8.617 8.547 1.00 0.00 C ATOM 1815 NZ LYS A 119 1.373 -8.034 9.380 1.00 0.00 N ATOM 0 H LYS A 119 3.298 -8.743 2.350 1.00 0.00 H new ATOM 0 HA LYS A 119 5.008 -8.086 4.274 1.00 0.00 H new ATOM 0 HB2 LYS A 119 2.421 -8.429 4.332 1.00 0.00 H new ATOM 0 HB3 LYS A 119 2.741 -10.111 4.707 1.00 0.00 H new ATOM 0 HG2 LYS A 119 4.017 -9.481 6.718 1.00 0.00 H new ATOM 0 HG3 LYS A 119 3.905 -7.781 6.307 1.00 0.00 H new ATOM 0 HD2 LYS A 119 1.544 -7.713 6.789 1.00 0.00 H new ATOM 0 HD3 LYS A 119 1.422 -9.461 6.827 1.00 0.00 H new ATOM 0 HE2 LYS A 119 2.632 -9.638 8.875 1.00 0.00 H new ATOM 0 HE3 LYS A 119 3.358 -8.054 8.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 1.669 -7.095 9.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 0.503 -7.943 8.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 1.194 -8.652 10.197 1.00 0.00 H new ATOM 1829 N ALA A 120 4.887 -11.371 4.136 1.00 0.00 N ATOM 1830 CA ALA A 120 5.565 -12.613 4.487 1.00 0.00 C ATOM 1831 C ALA A 120 7.040 -12.594 4.047 1.00 0.00 C ATOM 1832 O ALA A 120 7.915 -12.902 4.849 1.00 0.00 O ATOM 1833 CB ALA A 120 4.796 -13.810 3.923 1.00 0.00 C ATOM 0 H ALA A 120 4.031 -11.505 3.597 1.00 0.00 H new ATOM 0 HA ALA A 120 5.576 -12.713 5.572 1.00 0.00 H new ATOM 0 HB1 ALA A 120 5.311 -14.732 4.191 1.00 0.00 H new ATOM 0 HB2 ALA A 120 3.788 -13.823 4.338 1.00 0.00 H new ATOM 0 HB3 ALA A 120 4.740 -13.728 2.838 1.00 0.00 H new ATOM 1839 N GLU A 121 7.350 -12.189 2.812 1.00 0.00 N ATOM 1840 CA GLU A 121 8.731 -12.025 2.359 1.00 0.00 C ATOM 1841 C GLU A 121 9.469 -10.885 3.082 1.00 0.00 C ATOM 1842 O GLU A 121 10.679 -10.995 3.285 1.00 0.00 O ATOM 1843 CB GLU A 121 8.765 -11.765 0.853 1.00 0.00 C ATOM 1844 CG GLU A 121 8.481 -12.984 -0.034 1.00 0.00 C ATOM 1845 CD GLU A 121 9.662 -13.957 -0.138 1.00 0.00 C ATOM 1846 OE1 GLU A 121 10.779 -13.524 -0.495 1.00 0.00 O ATOM 1847 OE2 GLU A 121 9.487 -15.171 0.131 1.00 0.00 O ATOM 0 H GLU A 121 6.652 -11.967 2.102 1.00 0.00 H new ATOM 0 HA GLU A 121 9.246 -12.955 2.598 1.00 0.00 H new ATOM 0 HB2 GLU A 121 8.036 -10.990 0.619 1.00 0.00 H new ATOM 0 HB3 GLU A 121 9.746 -11.369 0.592 1.00 0.00 H new ATOM 0 HG2 GLU A 121 7.616 -13.517 0.361 1.00 0.00 H new ATOM 0 HG3 GLU A 121 8.215 -12.641 -1.034 1.00 0.00 H new ATOM 1854 N ILE A 122 8.803 -9.800 3.499 1.00 0.00 N ATOM 1855 CA ILE A 122 9.424 -8.781 4.354 1.00 0.00 C ATOM 1856 C ILE A 122 9.920 -9.447 5.645 1.00 0.00 C ATOM 1857 O ILE A 122 11.050 -9.209 6.064 1.00 0.00 O ATOM 1858 CB ILE A 122 8.485 -7.584 4.654 1.00 0.00 C ATOM 1859 CG1 ILE A 122 7.914 -6.942 3.378 1.00 0.00 C ATOM 1860 CG2 ILE A 122 9.199 -6.512 5.494 1.00 0.00 C ATOM 1861 CD1 ILE A 122 6.905 -5.814 3.644 1.00 0.00 C ATOM 0 H ILE A 122 7.831 -9.606 3.257 1.00 0.00 H new ATOM 0 HA ILE A 122 10.269 -8.355 3.813 1.00 0.00 H new ATOM 0 HB ILE A 122 7.650 -7.993 5.223 1.00 0.00 H new ATOM 0 HG12 ILE A 122 8.737 -6.546 2.783 1.00 0.00 H new ATOM 0 HG13 ILE A 122 7.431 -7.714 2.780 1.00 0.00 H new ATOM 0 HG21 ILE A 122 8.515 -5.686 5.688 1.00 0.00 H new ATOM 0 HG22 ILE A 122 9.521 -6.946 6.441 1.00 0.00 H new ATOM 0 HG23 ILE A 122 10.068 -6.143 4.950 1.00 0.00 H new ATOM 0 HD11 ILE A 122 6.549 -5.413 2.695 1.00 0.00 H new ATOM 0 HD12 ILE A 122 6.061 -6.207 4.211 1.00 0.00 H new ATOM 0 HD13 ILE A 122 7.388 -5.021 4.214 1.00 0.00 H new ATOM 1873 N HIS A 123 9.117 -10.322 6.257 1.00 0.00 N ATOM 1874 CA HIS A 123 9.474 -11.046 7.481 1.00 0.00 C ATOM 1875 C HIS A 123 10.660 -12.012 7.276 1.00 0.00 C ATOM 1876 O HIS A 123 11.225 -12.521 8.245 1.00 0.00 O ATOM 1877 CB HIS A 123 8.226 -11.787 7.986 1.00 0.00 C ATOM 1878 CG HIS A 123 8.195 -12.088 9.469 1.00 0.00 C ATOM 1879 ND1 HIS A 123 7.762 -13.264 10.042 1.00 0.00 N ATOM 1880 CD2 HIS A 123 8.522 -11.235 10.488 1.00 0.00 C ATOM 1881 CE1 HIS A 123 7.872 -13.140 11.374 1.00 0.00 C ATOM 1882 NE2 HIS A 123 8.313 -11.912 11.697 1.00 0.00 N ATOM 0 H HIS A 123 8.185 -10.551 5.910 1.00 0.00 H new ATOM 0 HA HIS A 123 9.810 -10.327 8.229 1.00 0.00 H new ATOM 0 HB2 HIS A 123 7.347 -11.192 7.737 1.00 0.00 H new ATOM 0 HB3 HIS A 123 8.139 -12.727 7.441 1.00 0.00 H new ATOM 0 HD2 HIS A 123 8.878 -10.221 10.380 1.00 0.00 H new ATOM 0 HE1 HIS A 123 7.639 -13.918 12.086 1.00 0.00 H new ATOM 0 HE2 HIS A 123 8.465 -11.545 12.637 1.00 0.00 H new ATOM 1890 N LYS A 124 11.052 -12.260 6.021 1.00 0.00 N ATOM 1891 CA LYS A 124 12.217 -13.057 5.625 1.00 0.00 C ATOM 1892 C LYS A 124 13.416 -12.183 5.223 1.00 0.00 C ATOM 1893 O LYS A 124 14.444 -12.737 4.831 1.00 0.00 O ATOM 1894 CB LYS A 124 11.829 -14.002 4.470 1.00 0.00 C ATOM 1895 CG LYS A 124 10.758 -15.034 4.853 1.00 0.00 C ATOM 1896 CD LYS A 124 10.216 -15.791 3.634 1.00 0.00 C ATOM 1897 CE LYS A 124 11.262 -16.702 2.983 1.00 0.00 C ATOM 1898 NZ LYS A 124 11.603 -16.304 1.601 1.00 0.00 N ATOM 0 H LYS A 124 10.542 -11.893 5.218 1.00 0.00 H new ATOM 0 HA LYS A 124 12.528 -13.641 6.491 1.00 0.00 H new ATOM 0 HB2 LYS A 124 11.465 -13.407 3.632 1.00 0.00 H new ATOM 0 HB3 LYS A 124 12.720 -14.527 4.126 1.00 0.00 H new ATOM 0 HG2 LYS A 124 11.180 -15.746 5.562 1.00 0.00 H new ATOM 0 HG3 LYS A 124 9.935 -14.529 5.360 1.00 0.00 H new ATOM 0 HD2 LYS A 124 9.358 -16.391 3.937 1.00 0.00 H new ATOM 0 HD3 LYS A 124 9.858 -15.073 2.896 1.00 0.00 H new ATOM 0 HE2 LYS A 124 12.168 -16.696 3.590 1.00 0.00 H new ATOM 0 HE3 LYS A 124 10.889 -17.726 2.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 11.985 -17.124 1.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 10.749 -15.960 1.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 12.316 -15.547 1.624 1.00 0.00 H new ATOM 1912 N LEU A 125 13.321 -10.849 5.259 1.00 0.00 N ATOM 1913 CA LEU A 125 14.465 -9.966 5.011 1.00 0.00 C ATOM 1914 C LEU A 125 15.397 -9.994 6.215 1.00 0.00 C ATOM 1915 O LEU A 125 15.000 -10.388 7.314 1.00 0.00 O ATOM 1916 CB LEU A 125 14.002 -8.512 4.788 1.00 0.00 C ATOM 1917 CG LEU A 125 13.344 -8.288 3.419 1.00 0.00 C ATOM 1918 CD1 LEU A 125 12.556 -6.981 3.368 1.00 0.00 C ATOM 1919 CD2 LEU A 125 14.425 -8.237 2.337 1.00 0.00 C ATOM 0 H LEU A 125 12.452 -10.353 5.460 1.00 0.00 H new ATOM 0 HA LEU A 125 14.979 -10.319 4.117 1.00 0.00 H new ATOM 0 HB2 LEU A 125 13.296 -8.238 5.572 1.00 0.00 H new ATOM 0 HB3 LEU A 125 14.859 -7.846 4.885 1.00 0.00 H new ATOM 0 HG LEU A 125 12.655 -9.116 3.251 1.00 0.00 H new ATOM 0 HD11 LEU A 125 12.108 -6.864 2.381 1.00 0.00 H new ATOM 0 HD12 LEU A 125 11.770 -7.000 4.123 1.00 0.00 H new ATOM 0 HD13 LEU A 125 13.226 -6.144 3.563 1.00 0.00 H new ATOM 0 HD21 LEU A 125 13.959 -8.078 1.364 1.00 0.00 H new ATOM 0 HD22 LEU A 125 15.113 -7.418 2.548 1.00 0.00 H new ATOM 0 HD23 LEU A 125 14.974 -9.179 2.327 1.00 0.00 H new ATOM 1931 N ASN A 126 16.602 -9.448 6.043 1.00 0.00 N ATOM 1932 CA ASN A 126 17.508 -9.125 7.148 1.00 0.00 C ATOM 1933 C ASN A 126 17.515 -7.619 7.462 1.00 0.00 C ATOM 1934 O ASN A 126 18.444 -7.088 8.078 1.00 0.00 O ATOM 1935 CB ASN A 126 18.908 -9.687 6.882 1.00 0.00 C ATOM 1936 CG ASN A 126 19.785 -9.552 8.124 1.00 0.00 C ATOM 1937 OD1 ASN A 126 19.395 -9.945 9.220 1.00 0.00 O ATOM 1938 ND2 ASN A 126 20.981 -9.010 7.998 1.00 0.00 N ATOM 0 H ASN A 126 16.980 -9.215 5.125 1.00 0.00 H new ATOM 0 HA ASN A 126 17.135 -9.612 8.049 1.00 0.00 H new ATOM 0 HB2 ASN A 126 18.836 -10.736 6.593 1.00 0.00 H new ATOM 0 HB3 ASN A 126 19.366 -9.157 6.047 1.00 0.00 H new ATOM 0 HD21 ASN A 126 21.587 -8.916 8.813 1.00 0.00 H new ATOM 0 HD22 ASN A 126 21.300 -8.685 7.085 1.00 0.00 H new ATOM 1945 N TRP A 127 16.516 -6.878 6.990 1.00 0.00 N ATOM 1946 CA TRP A 127 16.209 -5.533 7.460 1.00 0.00 C ATOM 1947 C TRP A 127 14.697 -5.424 7.676 1.00 0.00 C ATOM 1948 O TRP A 127 14.014 -6.453 7.657 1.00 0.00 O ATOM 1949 CB TRP A 127 16.823 -4.477 6.526 1.00 0.00 C ATOM 1950 CG TRP A 127 16.305 -4.419 5.123 1.00 0.00 C ATOM 1951 CD1 TRP A 127 16.449 -5.371 4.172 1.00 0.00 C ATOM 1952 CD2 TRP A 127 15.529 -3.353 4.505 1.00 0.00 C ATOM 1953 NE1 TRP A 127 15.775 -4.987 3.031 1.00 0.00 N ATOM 1954 CE2 TRP A 127 15.130 -3.785 3.209 1.00 0.00 C ATOM 1955 CE3 TRP A 127 15.047 -2.100 4.941 1.00 0.00 C ATOM 1956 CZ2 TRP A 127 14.210 -3.062 2.440 1.00 0.00 C ATOM 1957 CZ3 TRP A 127 14.168 -1.337 4.153 1.00 0.00 C ATOM 1958 CH2 TRP A 127 13.727 -1.830 2.915 1.00 0.00 C ATOM 0 H TRP A 127 15.886 -7.203 6.256 1.00 0.00 H new ATOM 0 HA TRP A 127 16.671 -5.331 8.426 1.00 0.00 H new ATOM 0 HB2 TRP A 127 16.676 -3.497 6.981 1.00 0.00 H new ATOM 0 HB3 TRP A 127 17.898 -4.650 6.482 1.00 0.00 H new ATOM 0 HD1 TRP A 127 17.005 -6.289 4.288 1.00 0.00 H new ATOM 0 HE1 TRP A 127 15.757 -5.526 2.165 1.00 0.00 H new ATOM 0 HE3 TRP A 127 15.361 -1.719 5.902 1.00 0.00 H new ATOM 0 HZ2 TRP A 127 13.874 -3.448 1.489 1.00 0.00 H new ATOM 0 HZ3 TRP A 127 13.832 -0.371 4.500 1.00 0.00 H new ATOM 0 HH2 TRP A 127 13.018 -1.264 2.329 1.00 0.00 H new ATOM 1969 N ALA A 128 14.187 -4.224 7.959 1.00 0.00 N ATOM 1970 CA ALA A 128 12.769 -3.974 8.209 1.00 0.00 C ATOM 1971 C ALA A 128 12.401 -2.603 7.625 1.00 0.00 C ATOM 1972 O ALA A 128 13.105 -1.633 7.935 1.00 0.00 O ATOM 1973 CB ALA A 128 12.497 -4.016 9.719 1.00 0.00 C ATOM 0 H ALA A 128 14.761 -3.383 8.022 1.00 0.00 H new ATOM 0 HA ALA A 128 12.158 -4.741 7.732 1.00 0.00 H new ATOM 0 HB1 ALA A 128 11.439 -3.829 9.903 1.00 0.00 H new ATOM 0 HB2 ALA A 128 12.766 -4.997 10.110 1.00 0.00 H new ATOM 0 HB3 ALA A 128 13.093 -3.251 10.217 1.00 0.00 H new ATOM 1979 N PRO A 129 11.337 -2.476 6.813 1.00 0.00 N ATOM 1980 CA PRO A 129 10.983 -1.239 6.130 1.00 0.00 C ATOM 1981 C PRO A 129 10.120 -0.375 7.055 1.00 0.00 C ATOM 1982 O PRO A 129 9.659 -0.833 8.104 1.00 0.00 O ATOM 1983 CB PRO A 129 10.224 -1.715 4.889 1.00 0.00 C ATOM 1984 CG PRO A 129 9.448 -2.921 5.411 1.00 0.00 C ATOM 1985 CD PRO A 129 10.340 -3.499 6.511 1.00 0.00 C ATOM 0 HA PRO A 129 11.835 -0.617 5.857 1.00 0.00 H new ATOM 0 HB2 PRO A 129 9.559 -0.943 4.500 1.00 0.00 H new ATOM 0 HB3 PRO A 129 10.902 -1.989 4.080 1.00 0.00 H new ATOM 0 HG2 PRO A 129 8.474 -2.628 5.802 1.00 0.00 H new ATOM 0 HG3 PRO A 129 9.268 -3.650 4.621 1.00 0.00 H new ATOM 0 HD2 PRO A 129 9.754 -3.744 7.397 1.00 0.00 H new ATOM 0 HD3 PRO A 129 10.818 -4.421 6.179 1.00 0.00 H new ATOM 1993 N SER A 130 9.892 0.884 6.696 1.00 0.00 N ATOM 1994 CA SER A 130 8.784 1.654 7.244 1.00 0.00 C ATOM 1995 C SER A 130 7.518 1.224 6.490 1.00 0.00 C ATOM 1996 O SER A 130 7.604 0.919 5.297 1.00 0.00 O ATOM 1997 CB SER A 130 9.037 3.157 7.046 1.00 0.00 C ATOM 1998 OG SER A 130 10.422 3.452 7.047 1.00 0.00 O ATOM 0 H SER A 130 10.465 1.394 6.024 1.00 0.00 H new ATOM 0 HA SER A 130 8.676 1.473 8.313 1.00 0.00 H new ATOM 0 HB2 SER A 130 8.595 3.481 6.104 1.00 0.00 H new ATOM 0 HB3 SER A 130 8.543 3.718 7.839 1.00 0.00 H new ATOM 0 HG SER A 130 10.551 4.415 6.917 1.00 0.00 H new ATOM 2004 N MET A 131 6.345 1.305 7.126 1.00 0.00 N ATOM 2005 CA MET A 131 5.066 1.141 6.436 1.00 0.00 C ATOM 2006 C MET A 131 4.972 2.100 5.257 1.00 0.00 C ATOM 2007 O MET A 131 4.598 1.686 4.163 1.00 0.00 O ATOM 2008 CB MET A 131 3.905 1.384 7.404 1.00 0.00 C ATOM 2009 CG MET A 131 3.337 0.068 7.922 1.00 0.00 C ATOM 2010 SD MET A 131 2.107 -0.696 6.834 1.00 0.00 S ATOM 2011 CE MET A 131 2.974 -2.202 6.343 1.00 0.00 C ATOM 0 H MET A 131 6.257 1.485 8.126 1.00 0.00 H new ATOM 0 HA MET A 131 5.004 0.119 6.062 1.00 0.00 H new ATOM 0 HB2 MET A 131 4.247 1.991 8.242 1.00 0.00 H new ATOM 0 HB3 MET A 131 3.120 1.949 6.901 1.00 0.00 H new ATOM 0 HG2 MET A 131 4.157 -0.634 8.072 1.00 0.00 H new ATOM 0 HG3 MET A 131 2.883 0.241 8.898 1.00 0.00 H new ATOM 0 HE1 MET A 131 2.343 -2.782 5.669 1.00 0.00 H new ATOM 0 HE2 MET A 131 3.902 -1.939 5.835 1.00 0.00 H new ATOM 0 HE3 MET A 131 3.201 -2.796 7.228 1.00 0.00 H new ATOM 2021 N ASP A 132 5.386 3.359 5.457 1.00 0.00 N ATOM 2022 CA ASP A 132 5.329 4.387 4.427 1.00 0.00 C ATOM 2023 C ASP A 132 5.963 3.875 3.133 1.00 0.00 C ATOM 2024 O ASP A 132 5.363 4.020 2.069 1.00 0.00 O ATOM 2025 CB ASP A 132 6.006 5.678 4.900 1.00 0.00 C ATOM 2026 CG ASP A 132 5.135 6.472 5.881 1.00 0.00 C ATOM 2027 OD1 ASP A 132 4.134 7.081 5.444 1.00 0.00 O ATOM 2028 OD2 ASP A 132 5.504 6.522 7.077 1.00 0.00 O ATOM 0 H ASP A 132 5.770 3.687 6.343 1.00 0.00 H new ATOM 0 HA ASP A 132 4.283 4.619 4.229 1.00 0.00 H new ATOM 0 HB2 ASP A 132 6.955 5.433 5.378 1.00 0.00 H new ATOM 0 HB3 ASP A 132 6.236 6.302 4.036 1.00 0.00 H new ATOM 2033 N VAL A 133 7.126 3.218 3.229 1.00 0.00 N ATOM 2034 CA VAL A 133 7.789 2.547 2.118 1.00 0.00 C ATOM 2035 C VAL A 133 6.971 1.319 1.703 1.00 0.00 C ATOM 2036 O VAL A 133 6.412 1.326 0.614 1.00 0.00 O ATOM 2037 CB VAL A 133 9.249 2.190 2.491 1.00 0.00 C ATOM 2038 CG1 VAL A 133 9.937 1.293 1.451 1.00 0.00 C ATOM 2039 CG2 VAL A 133 10.072 3.468 2.727 1.00 0.00 C ATOM 0 H VAL A 133 7.640 3.140 4.107 1.00 0.00 H new ATOM 0 HA VAL A 133 7.843 3.217 1.260 1.00 0.00 H new ATOM 0 HB VAL A 133 9.201 1.613 3.415 1.00 0.00 H new ATOM 0 HG11 VAL A 133 10.957 1.080 1.772 1.00 0.00 H new ATOM 0 HG12 VAL A 133 9.384 0.359 1.354 1.00 0.00 H new ATOM 0 HG13 VAL A 133 9.959 1.803 0.488 1.00 0.00 H new ATOM 0 HG21 VAL A 133 11.095 3.199 2.988 1.00 0.00 H new ATOM 0 HG22 VAL A 133 10.076 4.071 1.819 1.00 0.00 H new ATOM 0 HG23 VAL A 133 9.629 4.041 3.541 1.00 0.00 H new ATOM 2049 N ALA A 134 6.874 0.286 2.550 1.00 0.00 N ATOM 2050 CA ALA A 134 6.375 -1.036 2.162 1.00 0.00 C ATOM 2051 C ALA A 134 4.899 -1.053 1.754 1.00 0.00 C ATOM 2052 O ALA A 134 4.384 -2.083 1.323 1.00 0.00 O ATOM 2053 CB ALA A 134 6.569 -2.013 3.317 1.00 0.00 C ATOM 0 H ALA A 134 7.143 0.347 3.532 1.00 0.00 H new ATOM 0 HA ALA A 134 6.951 -1.327 1.284 1.00 0.00 H new ATOM 0 HB1 ALA A 134 6.198 -2.996 3.028 1.00 0.00 H new ATOM 0 HB2 ALA A 134 7.629 -2.083 3.561 1.00 0.00 H new ATOM 0 HB3 ALA A 134 6.019 -1.659 4.189 1.00 0.00 H new ATOM 2059 N VAL A 135 4.177 0.043 1.927 1.00 0.00 N ATOM 2060 CA VAL A 135 2.908 0.275 1.272 1.00 0.00 C ATOM 2061 C VAL A 135 3.134 1.127 0.023 1.00 0.00 C ATOM 2062 O VAL A 135 2.640 0.760 -1.038 1.00 0.00 O ATOM 2063 CB VAL A 135 1.929 0.923 2.259 1.00 0.00 C ATOM 2064 CG1 VAL A 135 0.616 1.226 1.530 1.00 0.00 C ATOM 2065 CG2 VAL A 135 1.680 0.029 3.490 1.00 0.00 C ATOM 0 H VAL A 135 4.465 0.807 2.538 1.00 0.00 H new ATOM 0 HA VAL A 135 2.463 -0.667 0.951 1.00 0.00 H new ATOM 0 HB VAL A 135 2.367 1.850 2.629 1.00 0.00 H new ATOM 0 HG11 VAL A 135 -0.087 1.687 2.224 1.00 0.00 H new ATOM 0 HG12 VAL A 135 0.809 1.908 0.702 1.00 0.00 H new ATOM 0 HG13 VAL A 135 0.191 0.299 1.145 1.00 0.00 H new ATOM 0 HG21 VAL A 135 0.981 0.524 4.164 1.00 0.00 H new ATOM 0 HG22 VAL A 135 1.260 -0.924 3.169 1.00 0.00 H new ATOM 0 HG23 VAL A 135 2.622 -0.146 4.009 1.00 0.00 H new ATOM 2075 N GLY A 136 3.830 2.259 0.142 1.00 0.00 N ATOM 2076 CA GLY A 136 3.996 3.248 -0.908 1.00 0.00 C ATOM 2077 C GLY A 136 4.510 2.637 -2.208 1.00 0.00 C ATOM 2078 O GLY A 136 4.090 3.074 -3.276 1.00 0.00 O ATOM 0 H GLY A 136 4.308 2.515 1.006 1.00 0.00 H new ATOM 0 HA2 GLY A 136 3.041 3.740 -1.094 1.00 0.00 H new ATOM 0 HA3 GLY A 136 4.691 4.017 -0.572 1.00 0.00 H new ATOM 2082 N GLU A 137 5.376 1.625 -2.138 1.00 0.00 N ATOM 2083 CA GLU A 137 5.949 0.995 -3.318 1.00 0.00 C ATOM 2084 C GLU A 137 4.985 -0.019 -3.917 1.00 0.00 C ATOM 2085 O GLU A 137 4.667 0.110 -5.090 1.00 0.00 O ATOM 2086 CB GLU A 137 7.253 0.294 -2.986 1.00 0.00 C ATOM 2087 CG GLU A 137 8.226 1.183 -2.194 1.00 0.00 C ATOM 2088 CD GLU A 137 9.711 0.877 -2.344 1.00 0.00 C ATOM 2089 OE1 GLU A 137 10.144 -0.205 -1.896 1.00 0.00 O ATOM 2090 OE2 GLU A 137 10.422 1.828 -2.751 1.00 0.00 O ATOM 0 H GLU A 137 5.697 1.222 -1.258 1.00 0.00 H new ATOM 0 HA GLU A 137 6.140 1.787 -4.042 1.00 0.00 H new ATOM 0 HB2 GLU A 137 7.039 -0.606 -2.409 1.00 0.00 H new ATOM 0 HB3 GLU A 137 7.733 -0.027 -3.911 1.00 0.00 H new ATOM 0 HG2 GLU A 137 8.060 2.218 -2.492 1.00 0.00 H new ATOM 0 HG3 GLU A 137 7.969 1.111 -1.137 1.00 0.00 H new ATOM 2097 N ILE A 138 4.442 -0.975 -3.143 1.00 0.00 N ATOM 2098 CA ILE A 138 3.522 -1.946 -3.740 1.00 0.00 C ATOM 2099 C ILE A 138 2.286 -1.223 -4.314 1.00 0.00 C ATOM 2100 O ILE A 138 1.605 -1.738 -5.201 1.00 0.00 O ATOM 2101 CB ILE A 138 3.169 -3.100 -2.760 1.00 0.00 C ATOM 2102 CG1 ILE A 138 2.292 -4.185 -3.442 1.00 0.00 C ATOM 2103 CG2 ILE A 138 2.492 -2.565 -1.482 1.00 0.00 C ATOM 2104 CD1 ILE A 138 2.067 -5.507 -2.677 1.00 0.00 C ATOM 0 H ILE A 138 4.617 -1.092 -2.145 1.00 0.00 H new ATOM 0 HA ILE A 138 4.024 -2.434 -4.575 1.00 0.00 H new ATOM 0 HB ILE A 138 4.107 -3.572 -2.469 1.00 0.00 H new ATOM 0 HG12 ILE A 138 1.316 -3.747 -3.649 1.00 0.00 H new ATOM 0 HG13 ILE A 138 2.744 -4.426 -4.404 1.00 0.00 H new ATOM 0 HG21 ILE A 138 2.258 -3.397 -0.818 1.00 0.00 H new ATOM 0 HG22 ILE A 138 3.166 -1.875 -0.975 1.00 0.00 H new ATOM 0 HG23 ILE A 138 1.572 -2.044 -1.748 1.00 0.00 H new ATOM 0 HD11 ILE A 138 1.438 -6.169 -3.272 1.00 0.00 H new ATOM 0 HD12 ILE A 138 3.027 -5.989 -2.492 1.00 0.00 H new ATOM 0 HD13 ILE A 138 1.577 -5.298 -1.726 1.00 0.00 H new ATOM 2116 N LEU A 139 1.970 -0.021 -3.824 1.00 0.00 N ATOM 2117 CA LEU A 139 1.008 0.884 -4.435 1.00 0.00 C ATOM 2118 C LEU A 139 1.553 1.550 -5.698 1.00 0.00 C ATOM 2119 O LEU A 139 0.830 1.699 -6.669 1.00 0.00 O ATOM 2120 CB LEU A 139 0.653 1.997 -3.459 1.00 0.00 C ATOM 2121 CG LEU A 139 -0.236 1.613 -2.265 1.00 0.00 C ATOM 2122 CD1 LEU A 139 -0.659 2.886 -1.541 1.00 0.00 C ATOM 2123 CD2 LEU A 139 -1.487 0.844 -2.654 1.00 0.00 C ATOM 0 H LEU A 139 2.388 0.353 -2.972 1.00 0.00 H new ATOM 0 HA LEU A 139 0.139 0.280 -4.695 1.00 0.00 H new ATOM 0 HB2 LEU A 139 1.581 2.417 -3.071 1.00 0.00 H new ATOM 0 HB3 LEU A 139 0.152 2.790 -4.015 1.00 0.00 H new ATOM 0 HG LEU A 139 0.358 0.955 -1.631 1.00 0.00 H new ATOM 0 HD11 LEU A 139 -1.291 2.628 -0.691 1.00 0.00 H new ATOM 0 HD12 LEU A 139 0.226 3.415 -1.188 1.00 0.00 H new ATOM 0 HD13 LEU A 139 -1.215 3.526 -2.226 1.00 0.00 H new ATOM 0 HD21 LEU A 139 -2.063 0.609 -1.759 1.00 0.00 H new ATOM 0 HD22 LEU A 139 -2.093 1.451 -3.326 1.00 0.00 H new ATOM 0 HD23 LEU A 139 -1.204 -0.081 -3.157 1.00 0.00 H new ATOM 2135 N ALA A 140 2.799 1.996 -5.711 1.00 0.00 N ATOM 2136 CA ALA A 140 3.450 2.438 -6.936 1.00 0.00 C ATOM 2137 C ALA A 140 3.491 1.346 -8.029 1.00 0.00 C ATOM 2138 O ALA A 140 3.827 1.679 -9.164 1.00 0.00 O ATOM 2139 CB ALA A 140 4.863 2.959 -6.638 1.00 0.00 C ATOM 0 H ALA A 140 3.385 2.062 -4.879 1.00 0.00 H new ATOM 0 HA ALA A 140 2.844 3.252 -7.334 1.00 0.00 H new ATOM 0 HB1 ALA A 140 5.334 3.285 -7.566 1.00 0.00 H new ATOM 0 HB2 ALA A 140 4.803 3.800 -5.947 1.00 0.00 H new ATOM 0 HB3 ALA A 140 5.457 2.163 -6.190 1.00 0.00 H new ATOM 2145 N GLU A 141 3.156 0.081 -7.745 1.00 0.00 N ATOM 2146 CA GLU A 141 3.382 -1.058 -8.628 1.00 0.00 C ATOM 2147 C GLU A 141 2.068 -1.731 -9.060 1.00 0.00 C ATOM 2148 O GLU A 141 1.698 -1.698 -10.242 1.00 0.00 O ATOM 2149 CB GLU A 141 4.312 -2.028 -7.878 1.00 0.00 C ATOM 2150 CG GLU A 141 5.721 -1.438 -7.749 1.00 0.00 C ATOM 2151 CD GLU A 141 6.663 -2.270 -6.884 1.00 0.00 C ATOM 2152 OE1 GLU A 141 6.584 -2.232 -5.632 1.00 0.00 O ATOM 2153 OE2 GLU A 141 7.553 -2.882 -7.508 1.00 0.00 O ATOM 0 H GLU A 141 2.707 -0.180 -6.867 1.00 0.00 H new ATOM 0 HA GLU A 141 3.846 -0.729 -9.558 1.00 0.00 H new ATOM 0 HB2 GLU A 141 3.907 -2.235 -6.887 1.00 0.00 H new ATOM 0 HB3 GLU A 141 4.358 -2.979 -8.409 1.00 0.00 H new ATOM 0 HG2 GLU A 141 6.153 -1.335 -8.744 1.00 0.00 H new ATOM 0 HG3 GLU A 141 5.647 -0.435 -7.328 1.00 0.00 H new ATOM 2160 N VAL A 142 1.378 -2.381 -8.116 1.00 0.00 N ATOM 2161 CA VAL A 142 0.266 -3.293 -8.384 1.00 0.00 C ATOM 2162 C VAL A 142 -0.852 -2.550 -9.108 1.00 0.00 C ATOM 2163 O VAL A 142 -1.200 -1.407 -8.752 1.00 0.00 O ATOM 2164 CB VAL A 142 -0.186 -3.943 -7.068 1.00 0.00 C ATOM 2165 CG1 VAL A 142 -1.647 -4.405 -7.046 1.00 0.00 C ATOM 2166 CG2 VAL A 142 0.745 -5.096 -6.684 1.00 0.00 C ATOM 0 H VAL A 142 1.584 -2.284 -7.122 1.00 0.00 H new ATOM 0 HA VAL A 142 0.579 -4.099 -9.047 1.00 0.00 H new ATOM 0 HB VAL A 142 -0.122 -3.149 -6.324 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -1.873 -4.850 -6.077 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -2.302 -3.550 -7.214 1.00 0.00 H new ATOM 0 HG13 VAL A 142 -1.807 -5.144 -7.831 1.00 0.00 H new ATOM 0 HG21 VAL A 142 0.406 -5.542 -5.749 1.00 0.00 H new ATOM 0 HG22 VAL A 142 0.733 -5.850 -7.471 1.00 0.00 H new ATOM 0 HG23 VAL A 142 1.760 -4.718 -6.559 1.00 0.00 H new