USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 743 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 94 THR OG1 : rot 48:sc= 0.822 USER MOD Set 1.2: A 116 THR OG1 : rot 180:sc=-0.000444 USER MOD Set 2.1: A 53 GLN : amide:sc= -10.3! C(o=-11!,f=-11!) USER MOD Set 2.2: A 83 THR OG1 : rot 85:sc= -0.547 USER MOD Single : A 32 GLN : amide:sc= -1.47 X(o=-1.5,f=-1.7) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 96:sc= 1.13 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 44:sc= 0.21 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot -49:sc= 1.03 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0.279 USER MOD Single : A 60 ASN : amide:sc= -4.64! C(o=-4.6!,f=-2.5!) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot -62:sc= 0.675 USER MOD Single : A 69 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.271) USER MOD Single : A 71 THR OG1 : rot 161:sc= -0.347 USER MOD Single : A 74 ASN : amide:sc= -0.117 X(o=-0.12,f=-0.096) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot -24:sc= -0.104 USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.132 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 180:sc= -0.436 USER MOD Single : A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 SER OG : rot 180:sc= -0.877 USER MOD Single : A 106 THR OG1 : rot -58:sc= 0.133 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 THR OG1 : rot 180:sc= -1.13 USER MOD Single : A 114 THR OG1 : rot 180:sc= -3.62! USER MOD Single : A 119 ASN : amide:sc= -3.1 K(o=-3.1,f=-13!) USER MOD Single : A 122 LYS NZ :NH3+ -118:sc= -0.0202 (180deg=-0.222) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 125 TYR OH : rot 180:sc= 0 USER MOD Single : A 126 THR OG1 : rot 93:sc= 1.13 USER MOD Single : A 130 THR OG1 : rot -21:sc= 0.416 USER MOD Single : A 131 SER OG : rot 180:sc= -0.351 USER MOD Single : A 132 ASN : amide:sc= -0.986 K(o=-0.99,f=-2.4!) USER MOD Single : A 143 GLN : amide:sc= -1.84! C(o=-1.8!,f=-9.1!) USER MOD Single : A 144 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 137 N ALA A 31 -11.936 -12.746 -0.216 1.00 0.00 N ATOM 138 CA ALA A 31 -12.778 -11.673 -0.731 1.00 0.00 C ATOM 139 C ALA A 31 -12.145 -11.048 -1.973 1.00 0.00 C ATOM 140 O ALA A 31 -11.742 -9.883 -1.971 1.00 0.00 O ATOM 141 CB ALA A 31 -12.979 -10.592 0.337 1.00 0.00 C ATOM 0 HA ALA A 31 -13.746 -12.098 -0.997 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -13.610 -9.798 -0.063 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -13.459 -11.030 1.212 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -12.012 -10.178 0.622 1.00 0.00 H new ATOM 147 N GLN A 32 -12.064 -11.841 -3.038 1.00 0.00 N ATOM 148 CA GLN A 32 -11.483 -11.365 -4.293 1.00 0.00 C ATOM 149 C GLN A 32 -12.252 -10.153 -4.813 1.00 0.00 C ATOM 150 O GLN A 32 -11.689 -9.271 -5.460 1.00 0.00 O ATOM 151 CB GLN A 32 -11.517 -12.467 -5.352 1.00 0.00 C ATOM 152 CG GLN A 32 -10.526 -12.135 -6.469 1.00 0.00 C ATOM 153 CD GLN A 32 -11.208 -11.252 -7.510 1.00 0.00 C ATOM 154 OE1 GLN A 32 -12.297 -11.570 -7.985 1.00 0.00 O ATOM 155 NE2 GLN A 32 -10.625 -10.150 -7.894 1.00 0.00 N ATOM 0 H GLN A 32 -12.390 -12.807 -3.059 1.00 0.00 H new ATOM 0 HA GLN A 32 -10.449 -11.082 -4.097 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -11.264 -13.427 -4.901 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -12.523 -12.562 -5.761 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -9.656 -11.624 -6.057 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -10.166 -13.052 -6.935 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -9.722 -9.887 -7.500 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -11.072 -9.552 -8.588 1.00 0.00 H new ATOM 164 N LEU A 33 -13.550 -10.119 -4.515 1.00 0.00 N ATOM 165 CA LEU A 33 -14.391 -9.010 -4.952 1.00 0.00 C ATOM 166 C LEU A 33 -14.113 -7.774 -4.105 1.00 0.00 C ATOM 167 O LEU A 33 -13.949 -6.669 -4.625 1.00 0.00 O ATOM 168 CB LEU A 33 -15.870 -9.376 -4.829 1.00 0.00 C ATOM 169 CG LEU A 33 -16.806 -8.633 -5.787 1.00 0.00 C ATOM 170 CD1 LEU A 33 -18.095 -9.435 -5.968 1.00 0.00 C ATOM 171 CD2 LEU A 33 -17.139 -7.257 -5.207 1.00 0.00 C ATOM 0 H LEU A 33 -14.036 -10.838 -3.979 1.00 0.00 H new ATOM 0 HA LEU A 33 -14.158 -8.800 -5.996 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -15.978 -10.447 -4.998 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -16.193 -9.181 -3.806 1.00 0.00 H new ATOM 0 HG LEU A 33 -16.316 -8.513 -6.753 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -18.760 -8.905 -6.650 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -17.858 -10.416 -6.381 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -18.587 -9.556 -5.003 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -17.805 -6.727 -5.888 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -17.629 -7.378 -4.241 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -16.221 -6.684 -5.079 1.00 0.00 H new ATOM 183 N SER A 34 -14.056 -7.974 -2.792 1.00 0.00 N ATOM 184 CA SER A 34 -13.791 -6.871 -1.874 1.00 0.00 C ATOM 185 C SER A 34 -12.400 -6.301 -2.130 1.00 0.00 C ATOM 186 O SER A 34 -12.201 -5.086 -2.132 1.00 0.00 O ATOM 187 CB SER A 34 -13.877 -7.346 -0.424 1.00 0.00 C ATOM 188 OG SER A 34 -14.180 -6.238 0.415 1.00 0.00 O ATOM 0 H SER A 34 -14.188 -8.880 -2.343 1.00 0.00 H new ATOM 0 HA SER A 34 -14.542 -6.099 -2.043 1.00 0.00 H new ATOM 0 HB2 SER A 34 -14.645 -8.113 -0.325 1.00 0.00 H new ATOM 0 HB3 SER A 34 -12.933 -7.799 -0.121 1.00 0.00 H new ATOM 0 HG SER A 34 -14.238 -6.539 1.346 1.00 0.00 H new ATOM 194 N GLU A 35 -11.440 -7.195 -2.351 1.00 0.00 N ATOM 195 CA GLU A 35 -10.065 -6.776 -2.614 1.00 0.00 C ATOM 196 C GLU A 35 -10.001 -5.932 -3.883 1.00 0.00 C ATOM 197 O GLU A 35 -9.189 -5.014 -3.995 1.00 0.00 O ATOM 198 CB GLU A 35 -9.157 -7.997 -2.781 1.00 0.00 C ATOM 199 CG GLU A 35 -7.731 -7.633 -2.363 1.00 0.00 C ATOM 200 CD GLU A 35 -6.858 -8.883 -2.393 1.00 0.00 C ATOM 201 OE1 GLU A 35 -7.349 -9.934 -2.016 1.00 0.00 O ATOM 202 OE2 GLU A 35 -5.710 -8.770 -2.793 1.00 0.00 O ATOM 0 H GLU A 35 -11.585 -8.205 -2.354 1.00 0.00 H new ATOM 0 HA GLU A 35 -9.724 -6.184 -1.765 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -9.526 -8.824 -2.174 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -9.169 -8.333 -3.818 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.325 -6.877 -3.035 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -7.733 -7.202 -1.362 1.00 0.00 H new ATOM 209 N ALA A 36 -10.872 -6.254 -4.836 1.00 0.00 N ATOM 210 CA ALA A 36 -10.917 -5.522 -6.101 1.00 0.00 C ATOM 211 C ALA A 36 -11.210 -4.045 -5.855 1.00 0.00 C ATOM 212 O ALA A 36 -10.440 -3.169 -6.248 1.00 0.00 O ATOM 213 CB ALA A 36 -12.006 -6.094 -7.007 1.00 0.00 C ATOM 0 H ALA A 36 -11.552 -7.011 -4.759 1.00 0.00 H new ATOM 0 HA ALA A 36 -9.945 -5.625 -6.583 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -12.028 -5.539 -7.945 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -11.795 -7.144 -7.211 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -12.973 -6.008 -6.512 1.00 0.00 H new ATOM 219 N MET A 37 -12.335 -3.781 -5.195 1.00 0.00 N ATOM 220 CA MET A 37 -12.728 -2.404 -4.892 1.00 0.00 C ATOM 221 C MET A 37 -11.689 -1.760 -3.986 1.00 0.00 C ATOM 222 O MET A 37 -11.352 -0.585 -4.132 1.00 0.00 O ATOM 223 CB MET A 37 -14.089 -2.356 -4.183 1.00 0.00 C ATOM 224 CG MET A 37 -15.074 -3.310 -4.864 1.00 0.00 C ATOM 225 SD MET A 37 -16.766 -2.867 -4.400 1.00 0.00 S ATOM 226 CE MET A 37 -17.548 -3.274 -5.980 1.00 0.00 C ATOM 0 H MET A 37 -12.986 -4.493 -4.862 1.00 0.00 H new ATOM 0 HA MET A 37 -12.800 -1.864 -5.836 1.00 0.00 H new ATOM 0 HB2 MET A 37 -13.971 -2.631 -3.135 1.00 0.00 H new ATOM 0 HB3 MET A 37 -14.482 -1.340 -4.204 1.00 0.00 H new ATOM 0 HG2 MET A 37 -14.957 -3.258 -5.946 1.00 0.00 H new ATOM 0 HG3 MET A 37 -14.863 -4.338 -4.570 1.00 0.00 H new ATOM 0 HE1 MET A 37 -18.618 -3.073 -5.919 1.00 0.00 H new ATOM 0 HE2 MET A 37 -17.109 -2.666 -6.771 1.00 0.00 H new ATOM 0 HE3 MET A 37 -17.389 -4.329 -6.204 1.00 0.00 H new ATOM 236 N THR A 38 -11.185 -2.553 -3.049 1.00 0.00 N ATOM 237 CA THR A 38 -10.177 -2.067 -2.111 1.00 0.00 C ATOM 238 C THR A 38 -8.909 -1.664 -2.860 1.00 0.00 C ATOM 239 O THR A 38 -8.307 -0.628 -2.577 1.00 0.00 O ATOM 240 CB THR A 38 -9.829 -3.149 -1.085 1.00 0.00 C ATOM 241 OG1 THR A 38 -11.024 -3.634 -0.490 1.00 0.00 O ATOM 242 CG2 THR A 38 -8.924 -2.559 -0.002 1.00 0.00 C ATOM 0 H THR A 38 -11.454 -3.528 -2.917 1.00 0.00 H new ATOM 0 HA THR A 38 -10.588 -1.200 -1.594 1.00 0.00 H new ATOM 0 HB THR A 38 -9.309 -3.967 -1.583 1.00 0.00 H new ATOM 0 HG1 THR A 38 -11.312 -4.449 -0.952 1.00 0.00 H new ATOM 0 HG21 THR A 38 -8.678 -3.331 0.727 1.00 0.00 H new ATOM 0 HG22 THR A 38 -8.007 -2.185 -0.458 1.00 0.00 H new ATOM 0 HG23 THR A 38 -9.441 -1.740 0.498 1.00 0.00 H new ATOM 250 N LEU A 39 -8.514 -2.496 -3.820 1.00 0.00 N ATOM 251 CA LEU A 39 -7.316 -2.217 -4.609 1.00 0.00 C ATOM 252 C LEU A 39 -7.529 -0.990 -5.490 1.00 0.00 C ATOM 253 O LEU A 39 -6.588 -0.254 -5.789 1.00 0.00 O ATOM 254 CB LEU A 39 -6.968 -3.414 -5.496 1.00 0.00 C ATOM 255 CG LEU A 39 -5.478 -3.586 -5.797 1.00 0.00 C ATOM 256 CD1 LEU A 39 -4.958 -2.348 -6.531 1.00 0.00 C ATOM 257 CD2 LEU A 39 -4.710 -3.759 -4.485 1.00 0.00 C ATOM 0 H LEU A 39 -8.998 -3.359 -4.069 1.00 0.00 H new ATOM 0 HA LEU A 39 -6.495 -2.028 -3.917 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.333 -4.321 -5.015 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.505 -3.316 -6.440 1.00 0.00 H new ATOM 0 HG LEU A 39 -5.334 -4.467 -6.423 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -3.896 -2.471 -6.745 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -5.505 -2.223 -7.466 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.102 -1.467 -5.906 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -3.648 -3.882 -4.698 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -4.855 -2.878 -3.860 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -5.079 -4.641 -3.961 1.00 0.00 H new ATOM 269 N ALA A 40 -8.777 -0.776 -5.904 1.00 0.00 N ATOM 270 CA ALA A 40 -9.105 0.368 -6.753 1.00 0.00 C ATOM 271 C ALA A 40 -8.758 1.675 -6.046 1.00 0.00 C ATOM 272 O ALA A 40 -8.150 2.572 -6.632 1.00 0.00 O ATOM 273 CB ALA A 40 -10.596 0.370 -7.095 1.00 0.00 C ATOM 0 H ALA A 40 -9.570 -1.373 -5.668 1.00 0.00 H new ATOM 0 HA ALA A 40 -8.521 0.284 -7.669 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -10.823 1.228 -7.728 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -10.849 -0.548 -7.625 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -11.180 0.432 -6.177 1.00 0.00 H new ATOM 279 N SER A 41 -9.146 1.771 -4.778 1.00 0.00 N ATOM 280 CA SER A 41 -8.869 2.971 -3.995 1.00 0.00 C ATOM 281 C SER A 41 -7.363 3.169 -3.849 1.00 0.00 C ATOM 282 O SER A 41 -6.858 4.288 -3.931 1.00 0.00 O ATOM 283 CB SER A 41 -9.493 2.859 -2.603 1.00 0.00 C ATOM 284 OG SER A 41 -9.626 4.159 -2.043 1.00 0.00 O ATOM 0 H SER A 41 -9.648 1.040 -4.274 1.00 0.00 H new ATOM 0 HA SER A 41 -9.302 3.824 -4.518 1.00 0.00 H new ATOM 0 HB2 SER A 41 -10.468 2.376 -2.667 1.00 0.00 H new ATOM 0 HB3 SER A 41 -8.870 2.236 -1.961 1.00 0.00 H new ATOM 0 HG SER A 41 -10.027 4.092 -1.151 1.00 0.00 H new ATOM 290 N GLY A 42 -6.654 2.065 -3.634 1.00 0.00 N ATOM 291 CA GLY A 42 -5.203 2.120 -3.480 1.00 0.00 C ATOM 292 C GLY A 42 -4.531 2.472 -4.803 1.00 0.00 C ATOM 293 O GLY A 42 -3.476 3.105 -4.831 1.00 0.00 O ATOM 0 H GLY A 42 -7.055 1.130 -3.563 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -4.941 2.861 -2.725 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -4.834 1.158 -3.124 1.00 0.00 H new ATOM 297 N LEU A 43 -5.154 2.052 -5.903 1.00 0.00 N ATOM 298 CA LEU A 43 -4.608 2.325 -7.229 1.00 0.00 C ATOM 299 C LEU A 43 -4.587 3.827 -7.500 1.00 0.00 C ATOM 300 O LEU A 43 -3.589 4.373 -7.970 1.00 0.00 O ATOM 301 CB LEU A 43 -5.445 1.636 -8.306 1.00 0.00 C ATOM 302 CG LEU A 43 -4.687 1.288 -9.589 1.00 0.00 C ATOM 303 CD1 LEU A 43 -3.482 0.410 -9.249 1.00 0.00 C ATOM 304 CD2 LEU A 43 -5.617 0.529 -10.540 1.00 0.00 C ATOM 0 H LEU A 43 -6.028 1.527 -5.902 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.590 1.937 -7.258 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.864 0.720 -7.889 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -6.285 2.283 -8.562 1.00 0.00 H new ATOM 0 HG LEU A 43 -4.344 2.205 -10.068 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.943 0.163 -10.163 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.819 0.948 -8.571 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -3.824 -0.507 -8.770 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -5.078 0.280 -11.454 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -5.959 -0.388 -10.060 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -6.477 1.153 -10.784 1.00 0.00 H new ATOM 316 N LYS A 44 -5.703 4.489 -7.198 1.00 0.00 N ATOM 317 CA LYS A 44 -5.803 5.932 -7.413 1.00 0.00 C ATOM 318 C LYS A 44 -4.753 6.668 -6.588 1.00 0.00 C ATOM 319 O LYS A 44 -4.148 7.637 -7.046 1.00 0.00 O ATOM 320 CB LYS A 44 -7.192 6.438 -7.021 1.00 0.00 C ATOM 321 CG LYS A 44 -8.254 5.701 -7.840 1.00 0.00 C ATOM 322 CD LYS A 44 -9.530 5.551 -7.009 1.00 0.00 C ATOM 323 CE LYS A 44 -10.680 5.103 -7.913 1.00 0.00 C ATOM 324 NZ LYS A 44 -11.578 4.185 -7.156 1.00 0.00 N ATOM 0 H LYS A 44 -6.541 4.056 -6.809 1.00 0.00 H new ATOM 0 HA LYS A 44 -5.633 6.126 -8.472 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -7.362 6.277 -5.956 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -7.262 7.511 -7.196 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -8.467 6.251 -8.757 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -7.883 4.720 -8.136 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -9.374 4.823 -6.213 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -9.778 6.498 -6.530 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -11.240 5.970 -8.264 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -10.287 4.599 -8.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -12.360 3.880 -7.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -11.039 3.353 -6.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -11.962 4.681 -6.327 1.00 0.00 H new ATOM 338 N THR A 45 -4.539 6.189 -5.365 1.00 0.00 N ATOM 339 CA THR A 45 -3.553 6.804 -4.480 1.00 0.00 C ATOM 340 C THR A 45 -2.140 6.547 -4.997 1.00 0.00 C ATOM 341 O THR A 45 -1.235 7.356 -4.798 1.00 0.00 O ATOM 342 CB THR A 45 -3.677 6.240 -3.064 1.00 0.00 C ATOM 343 OG1 THR A 45 -3.991 4.856 -3.134 1.00 0.00 O ATOM 344 CG2 THR A 45 -4.786 6.978 -2.313 1.00 0.00 C ATOM 0 H THR A 45 -5.028 5.387 -4.968 1.00 0.00 H new ATOM 0 HA THR A 45 -3.743 7.877 -4.459 1.00 0.00 H new ATOM 0 HB THR A 45 -2.733 6.374 -2.536 1.00 0.00 H new ATOM 0 HG1 THR A 45 -3.433 4.428 -3.817 1.00 0.00 H new ATOM 0 HG21 THR A 45 -4.873 6.575 -1.304 1.00 0.00 H new ATOM 0 HG22 THR A 45 -4.545 8.040 -2.260 1.00 0.00 H new ATOM 0 HG23 THR A 45 -5.732 6.846 -2.839 1.00 0.00 H new ATOM 352 N LYS A 46 -1.962 5.410 -5.667 1.00 0.00 N ATOM 353 CA LYS A 46 -0.654 5.056 -6.211 1.00 0.00 C ATOM 354 C LYS A 46 -0.328 5.929 -7.419 1.00 0.00 C ATOM 355 O LYS A 46 0.734 6.549 -7.489 1.00 0.00 O ATOM 356 CB LYS A 46 -0.628 3.587 -6.637 1.00 0.00 C ATOM 357 CG LYS A 46 -0.474 2.698 -5.400 1.00 0.00 C ATOM 358 CD LYS A 46 0.975 2.751 -4.911 1.00 0.00 C ATOM 359 CE LYS A 46 1.010 2.538 -3.396 1.00 0.00 C ATOM 360 NZ LYS A 46 1.136 1.084 -3.101 1.00 0.00 N ATOM 0 H LYS A 46 -2.698 4.726 -5.844 1.00 0.00 H new ATOM 0 HA LYS A 46 0.090 5.219 -5.431 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -1.547 3.335 -7.167 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.197 3.412 -7.328 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -1.148 3.034 -4.612 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -0.751 1.671 -5.640 1.00 0.00 H new ATOM 0 HD2 LYS A 46 1.567 1.984 -5.411 1.00 0.00 H new ATOM 0 HD3 LYS A 46 1.421 3.713 -5.164 1.00 0.00 H new ATOM 0 HE2 LYS A 46 1.848 3.082 -2.961 1.00 0.00 H new ATOM 0 HE3 LYS A 46 0.102 2.935 -2.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 1.160 0.939 -2.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 0.322 0.576 -3.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 2.014 0.719 -3.522 1.00 0.00 H new ATOM 374 N VAL A 47 -1.258 5.973 -8.370 1.00 0.00 N ATOM 375 CA VAL A 47 -1.063 6.775 -9.576 1.00 0.00 C ATOM 376 C VAL A 47 -0.939 8.254 -9.212 1.00 0.00 C ATOM 377 O VAL A 47 -0.215 9.010 -9.863 1.00 0.00 O ATOM 378 CB VAL A 47 -2.238 6.582 -10.542 1.00 0.00 C ATOM 379 CG1 VAL A 47 -1.962 7.323 -11.853 1.00 0.00 C ATOM 380 CG2 VAL A 47 -2.413 5.089 -10.832 1.00 0.00 C ATOM 0 H VAL A 47 -2.144 5.469 -8.331 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.145 6.446 -10.062 1.00 0.00 H new ATOM 0 HB VAL A 47 -3.146 6.980 -10.089 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -2.801 7.181 -12.534 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.835 8.386 -11.650 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.054 6.929 -12.309 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -3.248 4.947 -11.519 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -1.501 4.697 -11.283 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -2.615 4.559 -9.901 1.00 0.00 H new ATOM 390 N SER A 48 -1.649 8.656 -8.157 1.00 0.00 N ATOM 391 CA SER A 48 -1.608 10.047 -7.702 1.00 0.00 C ATOM 392 C SER A 48 -0.174 10.452 -7.368 1.00 0.00 C ATOM 393 O SER A 48 0.227 11.599 -7.561 1.00 0.00 O ATOM 394 CB SER A 48 -2.483 10.235 -6.460 1.00 0.00 C ATOM 395 OG SER A 48 -1.807 9.720 -5.318 1.00 0.00 O ATOM 0 H SER A 48 -2.253 8.046 -7.606 1.00 0.00 H new ATOM 0 HA SER A 48 -1.988 10.676 -8.507 1.00 0.00 H new ATOM 0 HB2 SER A 48 -2.707 11.292 -6.317 1.00 0.00 H new ATOM 0 HB3 SER A 48 -3.436 9.723 -6.593 1.00 0.00 H new ATOM 0 HG SER A 48 -1.475 8.819 -5.513 1.00 0.00 H new ATOM 401 N ASP A 49 0.590 9.485 -6.870 1.00 0.00 N ATOM 402 CA ASP A 49 1.981 9.734 -6.515 1.00 0.00 C ATOM 403 C ASP A 49 2.841 9.835 -7.772 1.00 0.00 C ATOM 404 O ASP A 49 3.859 10.525 -7.783 1.00 0.00 O ATOM 405 CB ASP A 49 2.518 8.607 -5.632 1.00 0.00 C ATOM 406 CG ASP A 49 2.021 8.796 -4.204 1.00 0.00 C ATOM 407 OD1 ASP A 49 0.961 8.277 -3.893 1.00 0.00 O ATOM 408 OD2 ASP A 49 2.706 9.459 -3.442 1.00 0.00 O ATOM 0 H ASP A 49 0.272 8.530 -6.705 1.00 0.00 H new ATOM 0 HA ASP A 49 2.026 10.675 -5.967 1.00 0.00 H new ATOM 0 HB2 ASP A 49 2.190 7.642 -6.017 1.00 0.00 H new ATOM 0 HB3 ASP A 49 3.608 8.604 -5.651 1.00 0.00 H new ATOM 413 N ILE A 50 2.421 9.138 -8.832 1.00 0.00 N ATOM 414 CA ILE A 50 3.171 9.161 -10.089 1.00 0.00 C ATOM 415 C ILE A 50 3.266 10.587 -10.622 1.00 0.00 C ATOM 416 O ILE A 50 4.361 11.130 -10.767 1.00 0.00 O ATOM 417 CB ILE A 50 2.517 8.241 -11.127 1.00 0.00 C ATOM 418 CG1 ILE A 50 2.464 6.817 -10.553 1.00 0.00 C ATOM 419 CG2 ILE A 50 3.341 8.244 -12.424 1.00 0.00 C ATOM 420 CD1 ILE A 50 1.762 5.876 -11.536 1.00 0.00 C ATOM 0 H ILE A 50 1.580 8.561 -8.846 1.00 0.00 H new ATOM 0 HA ILE A 50 4.179 8.794 -9.896 1.00 0.00 H new ATOM 0 HB ILE A 50 1.510 8.594 -11.351 1.00 0.00 H new ATOM 0 HG12 ILE A 50 3.474 6.459 -10.354 1.00 0.00 H new ATOM 0 HG13 ILE A 50 1.934 6.821 -9.600 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.870 7.588 -13.156 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.389 9.257 -12.822 1.00 0.00 H new ATOM 0 HG23 ILE A 50 4.350 7.889 -12.215 1.00 0.00 H new ATOM 0 HD11 ILE A 50 1.731 4.870 -11.118 1.00 0.00 H new ATOM 0 HD12 ILE A 50 0.745 6.227 -11.713 1.00 0.00 H new ATOM 0 HD13 ILE A 50 2.309 5.860 -12.478 1.00 0.00 H new ATOM 432 N PHE A 51 2.118 11.214 -10.872 1.00 0.00 N ATOM 433 CA PHE A 51 2.123 12.603 -11.339 1.00 0.00 C ATOM 434 C PHE A 51 2.812 13.475 -10.278 1.00 0.00 C ATOM 435 O PHE A 51 3.439 14.487 -10.593 1.00 0.00 O ATOM 436 CB PHE A 51 0.681 13.091 -11.594 1.00 0.00 C ATOM 437 CG PHE A 51 0.641 14.590 -11.840 1.00 0.00 C ATOM 438 CD1 PHE A 51 0.948 15.112 -13.105 1.00 0.00 C ATOM 439 CD2 PHE A 51 0.297 15.453 -10.794 1.00 0.00 C ATOM 440 CE1 PHE A 51 0.909 16.496 -13.319 1.00 0.00 C ATOM 441 CE2 PHE A 51 0.258 16.835 -11.008 1.00 0.00 C ATOM 442 CZ PHE A 51 0.564 17.356 -12.271 1.00 0.00 C ATOM 0 H PHE A 51 1.193 10.797 -10.763 1.00 0.00 H new ATOM 0 HA PHE A 51 2.668 12.675 -12.280 1.00 0.00 H new ATOM 0 HB2 PHE A 51 0.265 12.568 -12.455 1.00 0.00 H new ATOM 0 HB3 PHE A 51 0.054 12.844 -10.737 1.00 0.00 H new ATOM 0 HD1 PHE A 51 1.214 14.447 -13.914 1.00 0.00 H new ATOM 0 HD2 PHE A 51 0.061 15.052 -9.820 1.00 0.00 H new ATOM 0 HE1 PHE A 51 1.145 16.899 -14.293 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -0.008 17.500 -10.199 1.00 0.00 H new ATOM 0 HZ PHE A 51 0.534 18.423 -12.436 1.00 0.00 H new ATOM 452 N SER A 52 2.703 13.047 -9.020 1.00 0.00 N ATOM 453 CA SER A 52 3.331 13.765 -7.923 1.00 0.00 C ATOM 454 C SER A 52 4.855 13.596 -7.972 1.00 0.00 C ATOM 455 O SER A 52 5.588 14.380 -7.368 1.00 0.00 O ATOM 456 CB SER A 52 2.817 13.247 -6.580 1.00 0.00 C ATOM 457 OG SER A 52 3.067 14.220 -5.574 1.00 0.00 O ATOM 0 H SER A 52 2.188 12.212 -8.742 1.00 0.00 H new ATOM 0 HA SER A 52 3.079 14.820 -8.026 1.00 0.00 H new ATOM 0 HB2 SER A 52 1.749 13.038 -6.643 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.311 12.309 -6.326 1.00 0.00 H new ATOM 0 HG SER A 52 2.737 13.891 -4.712 1.00 0.00 H new ATOM 463 N GLN A 53 5.334 12.565 -8.700 1.00 0.00 N ATOM 464 CA GLN A 53 6.781 12.313 -8.817 1.00 0.00 C ATOM 465 C GLN A 53 7.533 13.619 -9.125 1.00 0.00 C ATOM 466 O GLN A 53 8.074 14.264 -8.227 1.00 0.00 O ATOM 467 CB GLN A 53 7.078 11.297 -9.939 1.00 0.00 C ATOM 468 CG GLN A 53 6.516 9.916 -9.601 1.00 0.00 C ATOM 469 CD GLN A 53 6.393 9.097 -10.894 1.00 0.00 C ATOM 470 OE1 GLN A 53 6.613 9.614 -11.992 1.00 0.00 O ATOM 471 NE2 GLN A 53 6.048 7.839 -10.836 1.00 0.00 N ATOM 0 H GLN A 53 4.747 11.903 -9.208 1.00 0.00 H new ATOM 0 HA GLN A 53 7.119 11.907 -7.864 1.00 0.00 H new ATOM 0 HB2 GLN A 53 6.645 11.649 -10.875 1.00 0.00 H new ATOM 0 HB3 GLN A 53 8.155 11.226 -10.093 1.00 0.00 H new ATOM 0 HG2 GLN A 53 7.170 9.406 -8.893 1.00 0.00 H new ATOM 0 HG3 GLN A 53 5.542 10.013 -9.122 1.00 0.00 H new ATOM 0 HE21 GLN A 53 5.864 7.402 -9.933 1.00 0.00 H new ATOM 0 HE22 GLN A 53 5.963 7.294 -11.694 1.00 0.00 H new ATOM 480 N ASP A 54 7.544 14.008 -10.402 1.00 0.00 N ATOM 481 CA ASP A 54 8.209 15.241 -10.816 1.00 0.00 C ATOM 482 C ASP A 54 7.215 16.399 -10.867 1.00 0.00 C ATOM 483 O ASP A 54 7.577 17.562 -10.688 1.00 0.00 O ATOM 484 CB ASP A 54 8.845 15.070 -12.195 1.00 0.00 C ATOM 485 CG ASP A 54 10.201 14.388 -12.048 1.00 0.00 C ATOM 486 OD1 ASP A 54 11.157 15.077 -11.733 1.00 0.00 O ATOM 487 OD2 ASP A 54 10.264 13.187 -12.253 1.00 0.00 O ATOM 0 H ASP A 54 7.102 13.489 -11.161 1.00 0.00 H new ATOM 0 HA ASP A 54 8.984 15.463 -10.083 1.00 0.00 H new ATOM 0 HB2 ASP A 54 8.194 14.475 -12.836 1.00 0.00 H new ATOM 0 HB3 ASP A 54 8.964 16.041 -12.675 1.00 0.00 H new ATOM 492 N GLY A 55 5.958 16.061 -11.147 1.00 0.00 N ATOM 493 CA GLY A 55 4.902 17.064 -11.264 1.00 0.00 C ATOM 494 C GLY A 55 4.439 17.191 -12.722 1.00 0.00 C ATOM 495 O GLY A 55 3.830 18.188 -13.109 1.00 0.00 O ATOM 0 H GLY A 55 5.646 15.101 -11.297 1.00 0.00 H new ATOM 0 HA2 GLY A 55 4.058 16.788 -10.631 1.00 0.00 H new ATOM 0 HA3 GLY A 55 5.266 18.027 -10.907 1.00 0.00 H new ATOM 499 N SER A 56 4.739 16.163 -13.526 1.00 0.00 N ATOM 500 CA SER A 56 4.364 16.151 -14.934 1.00 0.00 C ATOM 501 C SER A 56 4.280 14.690 -15.409 1.00 0.00 C ATOM 502 O SER A 56 3.952 13.804 -14.620 1.00 0.00 O ATOM 503 CB SER A 56 5.400 16.934 -15.752 1.00 0.00 C ATOM 504 OG SER A 56 4.876 17.191 -17.049 1.00 0.00 O ATOM 0 H SER A 56 5.241 15.330 -13.219 1.00 0.00 H new ATOM 0 HA SER A 56 3.393 16.628 -15.072 1.00 0.00 H new ATOM 0 HB2 SER A 56 5.642 17.872 -15.252 1.00 0.00 H new ATOM 0 HB3 SER A 56 6.327 16.365 -15.827 1.00 0.00 H new ATOM 0 HG SER A 56 5.534 17.693 -17.574 1.00 0.00 H new ATOM 510 N CYS A 57 4.574 14.430 -16.688 1.00 0.00 N ATOM 511 CA CYS A 57 4.521 13.061 -17.202 1.00 0.00 C ATOM 512 C CYS A 57 5.923 12.513 -17.499 1.00 0.00 C ATOM 513 O CYS A 57 6.358 12.505 -18.652 1.00 0.00 O ATOM 514 CB CYS A 57 3.680 12.987 -18.483 1.00 0.00 C ATOM 515 SG CYS A 57 1.968 12.540 -18.092 1.00 0.00 S ATOM 0 H CYS A 57 4.846 15.135 -17.373 1.00 0.00 H new ATOM 0 HA CYS A 57 4.060 12.452 -16.424 1.00 0.00 H new ATOM 0 HB2 CYS A 57 3.703 13.948 -18.996 1.00 0.00 H new ATOM 0 HB3 CYS A 57 4.108 12.251 -19.164 1.00 0.00 H new ATOM 520 N PRO A 58 6.637 12.010 -16.479 1.00 0.00 N ATOM 521 CA PRO A 58 7.972 11.424 -16.693 1.00 0.00 C ATOM 522 C PRO A 58 7.862 10.028 -17.298 1.00 0.00 C ATOM 523 O PRO A 58 7.498 9.068 -16.620 1.00 0.00 O ATOM 524 CB PRO A 58 8.542 11.367 -15.281 1.00 0.00 C ATOM 525 CG PRO A 58 7.355 11.350 -14.329 1.00 0.00 C ATOM 526 CD PRO A 58 6.178 11.989 -15.070 1.00 0.00 C ATOM 0 HA PRO A 58 8.592 11.993 -17.386 1.00 0.00 H new ATOM 0 HB2 PRO A 58 9.157 10.477 -15.148 1.00 0.00 H new ATOM 0 HB3 PRO A 58 9.181 12.228 -15.087 1.00 0.00 H new ATOM 0 HG2 PRO A 58 7.115 10.330 -14.031 1.00 0.00 H new ATOM 0 HG3 PRO A 58 7.583 11.903 -13.418 1.00 0.00 H new ATOM 0 HD2 PRO A 58 5.264 11.407 -14.953 1.00 0.00 H new ATOM 0 HD3 PRO A 58 5.966 12.992 -14.700 1.00 0.00 H new ATOM 534 N ALA A 59 8.157 9.932 -18.590 1.00 0.00 N ATOM 535 CA ALA A 59 8.058 8.653 -19.285 1.00 0.00 C ATOM 536 C ALA A 59 9.265 7.773 -18.988 1.00 0.00 C ATOM 537 O ALA A 59 10.408 8.156 -19.234 1.00 0.00 O ATOM 538 CB ALA A 59 7.965 8.873 -20.796 1.00 0.00 C ATOM 0 H ALA A 59 8.463 10.713 -19.171 1.00 0.00 H new ATOM 0 HA ALA A 59 7.157 8.154 -18.928 1.00 0.00 H new ATOM 0 HB1 ALA A 59 7.892 7.909 -21.300 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.081 9.469 -21.023 1.00 0.00 H new ATOM 0 HB3 ALA A 59 8.856 9.397 -21.143 1.00 0.00 H new ATOM 544 N ASN A 60 8.986 6.585 -18.457 1.00 0.00 N ATOM 545 CA ASN A 60 10.045 5.629 -18.125 1.00 0.00 C ATOM 546 C ASN A 60 10.685 5.065 -19.401 1.00 0.00 C ATOM 547 O ASN A 60 10.602 3.868 -19.682 1.00 0.00 O ATOM 548 CB ASN A 60 9.470 4.471 -17.300 1.00 0.00 C ATOM 549 CG ASN A 60 9.124 4.962 -15.899 1.00 0.00 C ATOM 550 OD1 ASN A 60 8.011 4.748 -15.419 1.00 0.00 O ATOM 551 ND2 ASN A 60 10.021 5.608 -15.204 1.00 0.00 N ATOM 0 H ASN A 60 8.042 6.260 -18.247 1.00 0.00 H new ATOM 0 HA ASN A 60 10.805 6.153 -17.545 1.00 0.00 H new ATOM 0 HB2 ASN A 60 8.580 4.072 -17.786 1.00 0.00 H new ATOM 0 HB3 ASN A 60 10.194 3.658 -17.243 1.00 0.00 H new ATOM 0 HD21 ASN A 60 9.799 5.935 -14.264 1.00 0.00 H new ATOM 0 HD22 ASN A 60 10.943 5.786 -15.601 1.00 0.00 H new ATOM 558 N THR A 61 11.338 5.939 -20.166 1.00 0.00 N ATOM 559 CA THR A 61 12.000 5.508 -21.398 1.00 0.00 C ATOM 560 C THR A 61 13.396 4.993 -21.069 1.00 0.00 C ATOM 561 O THR A 61 13.885 4.036 -21.670 1.00 0.00 O ATOM 562 CB THR A 61 12.097 6.659 -22.410 1.00 0.00 C ATOM 563 OG1 THR A 61 12.913 6.258 -23.502 1.00 0.00 O ATOM 564 CG2 THR A 61 12.700 7.902 -21.748 1.00 0.00 C ATOM 0 H THR A 61 11.423 6.934 -19.960 1.00 0.00 H new ATOM 0 HA THR A 61 11.406 4.712 -21.847 1.00 0.00 H new ATOM 0 HB THR A 61 11.096 6.903 -22.767 1.00 0.00 H new ATOM 0 HG1 THR A 61 12.975 6.990 -24.150 1.00 0.00 H new ATOM 0 HG21 THR A 61 12.762 8.709 -22.478 1.00 0.00 H new ATOM 0 HG22 THR A 61 12.069 8.213 -20.916 1.00 0.00 H new ATOM 0 HG23 THR A 61 13.699 7.669 -21.379 1.00 0.00 H new ATOM 572 N ALA A 62 14.018 5.632 -20.083 1.00 0.00 N ATOM 573 CA ALA A 62 15.348 5.237 -19.635 1.00 0.00 C ATOM 574 C ALA A 62 15.347 5.117 -18.114 1.00 0.00 C ATOM 575 O ALA A 62 16.335 5.424 -17.446 1.00 0.00 O ATOM 576 CB ALA A 62 16.393 6.271 -20.059 1.00 0.00 C ATOM 0 H ALA A 62 13.622 6.426 -19.579 1.00 0.00 H new ATOM 0 HA ALA A 62 15.602 4.280 -20.090 1.00 0.00 H new ATOM 0 HB1 ALA A 62 17.378 5.956 -19.714 1.00 0.00 H new ATOM 0 HB2 ALA A 62 16.400 6.357 -21.146 1.00 0.00 H new ATOM 0 HB3 ALA A 62 16.147 7.238 -19.620 1.00 0.00 H new ATOM 582 N ALA A 63 14.208 4.676 -17.580 1.00 0.00 N ATOM 583 CA ALA A 63 14.047 4.520 -16.138 1.00 0.00 C ATOM 584 C ALA A 63 15.092 3.559 -15.574 1.00 0.00 C ATOM 585 O ALA A 63 16.084 3.248 -16.232 1.00 0.00 O ATOM 586 CB ALA A 63 12.642 3.992 -15.828 1.00 0.00 C ATOM 0 H ALA A 63 13.385 4.421 -18.126 1.00 0.00 H new ATOM 0 HA ALA A 63 14.185 5.495 -15.670 1.00 0.00 H new ATOM 0 HB1 ALA A 63 12.526 3.877 -14.750 1.00 0.00 H new ATOM 0 HB2 ALA A 63 11.898 4.697 -16.200 1.00 0.00 H new ATOM 0 HB3 ALA A 63 12.501 3.026 -16.313 1.00 0.00 H new ATOM 592 N THR A 64 14.856 3.105 -14.342 1.00 0.00 N ATOM 593 CA THR A 64 15.776 2.180 -13.669 1.00 0.00 C ATOM 594 C THR A 64 17.184 2.767 -13.610 1.00 0.00 C ATOM 595 O THR A 64 18.179 2.041 -13.648 1.00 0.00 O ATOM 596 CB THR A 64 15.832 0.820 -14.384 1.00 0.00 C ATOM 597 OG1 THR A 64 16.596 0.936 -15.576 1.00 0.00 O ATOM 598 CG2 THR A 64 14.416 0.344 -14.725 1.00 0.00 C ATOM 0 H THR A 64 14.038 3.361 -13.789 1.00 0.00 H new ATOM 0 HA THR A 64 15.397 2.031 -12.658 1.00 0.00 H new ATOM 0 HB THR A 64 16.301 0.092 -13.722 1.00 0.00 H new ATOM 0 HG1 THR A 64 16.166 1.578 -16.179 1.00 0.00 H new ATOM 0 HG21 THR A 64 14.468 -0.620 -15.231 1.00 0.00 H new ATOM 0 HG22 THR A 64 13.836 0.241 -13.808 1.00 0.00 H new ATOM 0 HG23 THR A 64 13.935 1.071 -15.379 1.00 0.00 H new ATOM 606 N ALA A 65 17.256 4.092 -13.516 1.00 0.00 N ATOM 607 CA ALA A 65 18.546 4.774 -13.448 1.00 0.00 C ATOM 608 C ALA A 65 18.771 5.342 -12.051 1.00 0.00 C ATOM 609 O ALA A 65 19.898 5.383 -11.556 1.00 0.00 O ATOM 610 CB ALA A 65 18.604 5.916 -14.466 1.00 0.00 C ATOM 0 H ALA A 65 16.445 4.710 -13.485 1.00 0.00 H new ATOM 0 HA ALA A 65 19.325 4.047 -13.677 1.00 0.00 H new ATOM 0 HB1 ALA A 65 19.572 6.413 -14.401 1.00 0.00 H new ATOM 0 HB2 ALA A 65 18.469 5.515 -15.471 1.00 0.00 H new ATOM 0 HB3 ALA A 65 17.813 6.634 -14.252 1.00 0.00 H new ATOM 616 N GLY A 66 17.684 5.778 -11.422 1.00 0.00 N ATOM 617 CA GLY A 66 17.767 6.343 -10.079 1.00 0.00 C ATOM 618 C GLY A 66 16.376 6.643 -9.533 1.00 0.00 C ATOM 619 O GLY A 66 16.165 7.639 -8.841 1.00 0.00 O ATOM 0 H GLY A 66 16.743 5.752 -11.816 1.00 0.00 H new ATOM 0 HA2 GLY A 66 18.280 5.646 -9.417 1.00 0.00 H new ATOM 0 HA3 GLY A 66 18.360 7.257 -10.100 1.00 0.00 H new ATOM 623 N ILE A 67 15.426 5.767 -9.851 1.00 0.00 N ATOM 624 CA ILE A 67 14.053 5.945 -9.387 1.00 0.00 C ATOM 625 C ILE A 67 13.531 4.653 -8.767 1.00 0.00 C ATOM 626 O ILE A 67 14.067 3.570 -9.001 1.00 0.00 O ATOM 627 CB ILE A 67 13.143 6.356 -10.550 1.00 0.00 C ATOM 628 CG1 ILE A 67 13.705 7.624 -11.199 1.00 0.00 C ATOM 629 CG2 ILE A 67 11.722 6.632 -10.031 1.00 0.00 C ATOM 630 CD1 ILE A 67 12.834 8.019 -12.390 1.00 0.00 C ATOM 0 H ILE A 67 15.579 4.936 -10.422 1.00 0.00 H new ATOM 0 HA ILE A 67 14.048 6.733 -8.634 1.00 0.00 H new ATOM 0 HB ILE A 67 13.103 5.550 -11.283 1.00 0.00 H new ATOM 0 HG12 ILE A 67 13.733 8.435 -10.471 1.00 0.00 H new ATOM 0 HG13 ILE A 67 14.731 7.453 -11.526 1.00 0.00 H new ATOM 0 HG21 ILE A 67 11.081 6.924 -10.863 1.00 0.00 H new ATOM 0 HG22 ILE A 67 11.324 5.731 -9.564 1.00 0.00 H new ATOM 0 HG23 ILE A 67 11.753 7.437 -9.297 1.00 0.00 H new ATOM 0 HD11 ILE A 67 13.235 8.922 -12.851 1.00 0.00 H new ATOM 0 HD12 ILE A 67 12.828 7.210 -13.121 1.00 0.00 H new ATOM 0 HD13 ILE A 67 11.816 8.207 -12.050 1.00 0.00 H new ATOM 642 N GLU A 68 12.477 4.789 -7.971 1.00 0.00 N ATOM 643 CA GLU A 68 11.876 3.641 -7.310 1.00 0.00 C ATOM 644 C GLU A 68 10.360 3.658 -7.492 1.00 0.00 C ATOM 645 O GLU A 68 9.749 2.647 -7.840 1.00 0.00 O ATOM 646 CB GLU A 68 12.206 3.663 -5.816 1.00 0.00 C ATOM 647 CG GLU A 68 11.708 2.376 -5.168 1.00 0.00 C ATOM 648 CD GLU A 68 12.545 2.070 -3.930 1.00 0.00 C ATOM 649 OE1 GLU A 68 12.831 2.995 -3.189 1.00 0.00 O ATOM 650 OE2 GLU A 68 12.886 0.914 -3.741 1.00 0.00 O ATOM 0 H GLU A 68 12.024 5.680 -7.769 1.00 0.00 H new ATOM 0 HA GLU A 68 12.281 2.734 -7.758 1.00 0.00 H new ATOM 0 HB2 GLU A 68 13.282 3.763 -5.671 1.00 0.00 H new ATOM 0 HB3 GLU A 68 11.739 4.526 -5.342 1.00 0.00 H new ATOM 0 HG2 GLU A 68 10.658 2.478 -4.894 1.00 0.00 H new ATOM 0 HG3 GLU A 68 11.774 1.551 -5.877 1.00 0.00 H new ATOM 657 N LYS A 69 9.762 4.821 -7.249 1.00 0.00 N ATOM 658 CA LYS A 69 8.315 4.967 -7.385 1.00 0.00 C ATOM 659 C LYS A 69 7.891 4.803 -8.840 1.00 0.00 C ATOM 660 O LYS A 69 7.099 3.922 -9.177 1.00 0.00 O ATOM 661 CB LYS A 69 7.867 6.344 -6.891 1.00 0.00 C ATOM 662 CG LYS A 69 8.069 6.439 -5.377 1.00 0.00 C ATOM 663 CD LYS A 69 6.979 7.325 -4.770 1.00 0.00 C ATOM 664 CE LYS A 69 5.822 6.451 -4.282 1.00 0.00 C ATOM 665 NZ LYS A 69 4.916 7.261 -3.420 1.00 0.00 N ATOM 0 H LYS A 69 10.250 5.668 -6.960 1.00 0.00 H new ATOM 0 HA LYS A 69 7.845 4.191 -6.781 1.00 0.00 H new ATOM 0 HB2 LYS A 69 8.438 7.125 -7.394 1.00 0.00 H new ATOM 0 HB3 LYS A 69 6.818 6.506 -7.139 1.00 0.00 H new ATOM 0 HG2 LYS A 69 8.034 5.445 -4.932 1.00 0.00 H new ATOM 0 HG3 LYS A 69 9.053 6.852 -5.156 1.00 0.00 H new ATOM 0 HD2 LYS A 69 7.386 7.904 -3.941 1.00 0.00 H new ATOM 0 HD3 LYS A 69 6.621 8.039 -5.512 1.00 0.00 H new ATOM 0 HE2 LYS A 69 5.270 6.051 -5.133 1.00 0.00 H new ATOM 0 HE3 LYS A 69 6.207 5.598 -3.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 4.007 6.767 -3.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 5.353 7.393 -2.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 4.755 8.189 -3.861 1.00 0.00 H new ATOM 679 N ASP A 70 8.419 5.670 -9.700 1.00 0.00 N ATOM 680 CA ASP A 70 8.081 5.624 -11.121 1.00 0.00 C ATOM 681 C ASP A 70 8.457 4.281 -11.736 1.00 0.00 C ATOM 682 O ASP A 70 7.691 3.705 -12.508 1.00 0.00 O ATOM 683 CB ASP A 70 8.805 6.741 -11.880 1.00 0.00 C ATOM 684 CG ASP A 70 7.989 7.148 -13.103 1.00 0.00 C ATOM 685 OD1 ASP A 70 7.280 6.306 -13.630 1.00 0.00 O ATOM 686 OD2 ASP A 70 8.088 8.298 -13.499 1.00 0.00 O ATOM 0 H ASP A 70 9.076 6.406 -9.442 1.00 0.00 H new ATOM 0 HA ASP A 70 7.003 5.761 -11.204 1.00 0.00 H new ATOM 0 HB2 ASP A 70 8.952 7.601 -11.227 1.00 0.00 H new ATOM 0 HB3 ASP A 70 9.794 6.402 -12.188 1.00 0.00 H new ATOM 691 N THR A 71 9.637 3.784 -11.390 1.00 0.00 N ATOM 692 CA THR A 71 10.088 2.503 -11.922 1.00 0.00 C ATOM 693 C THR A 71 9.430 1.358 -11.158 1.00 0.00 C ATOM 694 O THR A 71 10.044 0.734 -10.292 1.00 0.00 O ATOM 695 CB THR A 71 11.611 2.378 -11.809 1.00 0.00 C ATOM 696 OG1 THR A 71 12.222 3.522 -12.387 1.00 0.00 O ATOM 697 CG2 THR A 71 12.077 1.121 -12.544 1.00 0.00 C ATOM 0 H THR A 71 10.291 4.239 -10.753 1.00 0.00 H new ATOM 0 HA THR A 71 9.804 2.451 -12.973 1.00 0.00 H new ATOM 0 HB THR A 71 11.894 2.307 -10.759 1.00 0.00 H new ATOM 0 HG1 THR A 71 13.142 3.602 -12.059 1.00 0.00 H new ATOM 0 HG21 THR A 71 13.160 1.033 -12.463 1.00 0.00 H new ATOM 0 HG22 THR A 71 11.607 0.244 -12.099 1.00 0.00 H new ATOM 0 HG23 THR A 71 11.796 1.189 -13.595 1.00 0.00 H new ATOM 705 N ASP A 72 8.166 1.091 -11.484 1.00 0.00 N ATOM 706 CA ASP A 72 7.437 0.020 -10.811 1.00 0.00 C ATOM 707 C ASP A 72 7.657 -1.320 -11.545 1.00 0.00 C ATOM 708 O ASP A 72 8.743 -1.892 -11.451 1.00 0.00 O ATOM 709 CB ASP A 72 5.946 0.374 -10.709 1.00 0.00 C ATOM 710 CG ASP A 72 5.755 1.474 -9.670 1.00 0.00 C ATOM 711 OD1 ASP A 72 6.141 1.261 -8.532 1.00 0.00 O ATOM 712 OD2 ASP A 72 5.224 2.514 -10.027 1.00 0.00 O ATOM 0 H ASP A 72 7.635 1.591 -12.196 1.00 0.00 H new ATOM 0 HA ASP A 72 7.820 -0.092 -9.797 1.00 0.00 H new ATOM 0 HB2 ASP A 72 5.573 0.705 -11.678 1.00 0.00 H new ATOM 0 HB3 ASP A 72 5.370 -0.508 -10.430 1.00 0.00 H new ATOM 717 N ILE A 73 6.638 -1.820 -12.281 1.00 0.00 N ATOM 718 CA ILE A 73 6.750 -3.089 -13.020 1.00 0.00 C ATOM 719 C ILE A 73 7.505 -4.157 -12.212 1.00 0.00 C ATOM 720 O ILE A 73 8.570 -4.629 -12.611 1.00 0.00 O ATOM 721 CB ILE A 73 7.464 -2.863 -14.354 1.00 0.00 C ATOM 722 CG1 ILE A 73 6.780 -1.723 -15.114 1.00 0.00 C ATOM 723 CG2 ILE A 73 7.411 -4.146 -15.192 1.00 0.00 C ATOM 724 CD1 ILE A 73 7.570 -1.407 -16.386 1.00 0.00 C ATOM 0 H ILE A 73 5.732 -1.361 -12.376 1.00 0.00 H new ATOM 0 HA ILE A 73 5.737 -3.450 -13.198 1.00 0.00 H new ATOM 0 HB ILE A 73 8.505 -2.599 -14.166 1.00 0.00 H new ATOM 0 HG12 ILE A 73 5.758 -2.004 -15.369 1.00 0.00 H new ATOM 0 HG13 ILE A 73 6.719 -0.837 -14.482 1.00 0.00 H new ATOM 0 HG21 ILE A 73 7.920 -3.982 -16.142 1.00 0.00 H new ATOM 0 HG22 ILE A 73 7.903 -4.954 -14.651 1.00 0.00 H new ATOM 0 HG23 ILE A 73 6.372 -4.415 -15.380 1.00 0.00 H new ATOM 0 HD11 ILE A 73 7.082 -0.595 -16.925 1.00 0.00 H new ATOM 0 HD12 ILE A 73 8.584 -1.107 -16.120 1.00 0.00 H new ATOM 0 HD13 ILE A 73 7.608 -2.293 -17.020 1.00 0.00 H new ATOM 736 N ASN A 74 6.939 -4.518 -11.068 1.00 0.00 N ATOM 737 CA ASN A 74 7.562 -5.519 -10.202 1.00 0.00 C ATOM 738 C ASN A 74 6.702 -6.775 -10.129 1.00 0.00 C ATOM 739 O ASN A 74 5.474 -6.711 -10.167 1.00 0.00 O ATOM 740 CB ASN A 74 7.774 -4.971 -8.783 1.00 0.00 C ATOM 741 CG ASN A 74 6.539 -4.199 -8.322 1.00 0.00 C ATOM 742 OD1 ASN A 74 5.617 -4.775 -7.744 1.00 0.00 O ATOM 743 ND2 ASN A 74 6.469 -2.914 -8.548 1.00 0.00 N ATOM 0 H ASN A 74 6.059 -4.139 -10.718 1.00 0.00 H new ATOM 0 HA ASN A 74 8.532 -5.766 -10.634 1.00 0.00 H new ATOM 0 HB2 ASN A 74 7.975 -5.792 -8.095 1.00 0.00 H new ATOM 0 HB3 ASN A 74 8.647 -4.318 -8.765 1.00 0.00 H new ATOM 0 HD21 ASN A 74 5.650 -2.387 -8.245 1.00 0.00 H new ATOM 0 HD22 ASN A 74 7.234 -2.438 -9.027 1.00 0.00 H new ATOM 750 N GLY A 75 7.369 -7.922 -10.028 1.00 0.00 N ATOM 751 CA GLY A 75 6.666 -9.199 -9.955 1.00 0.00 C ATOM 752 C GLY A 75 7.163 -10.144 -11.042 1.00 0.00 C ATOM 753 O GLY A 75 7.937 -9.755 -11.916 1.00 0.00 O ATOM 0 H GLY A 75 8.386 -7.993 -9.995 1.00 0.00 H new ATOM 0 HA2 GLY A 75 6.820 -9.650 -8.975 1.00 0.00 H new ATOM 0 HA3 GLY A 75 5.594 -9.038 -10.067 1.00 0.00 H new ATOM 757 N LYS A 76 6.700 -11.389 -10.985 1.00 0.00 N ATOM 758 CA LYS A 76 7.092 -12.382 -11.976 1.00 0.00 C ATOM 759 C LYS A 76 6.236 -12.214 -13.227 1.00 0.00 C ATOM 760 O LYS A 76 5.458 -13.094 -13.599 1.00 0.00 O ATOM 761 CB LYS A 76 6.915 -13.795 -11.416 1.00 0.00 C ATOM 762 CG LYS A 76 7.666 -14.790 -12.300 1.00 0.00 C ATOM 763 CD LYS A 76 9.093 -14.963 -11.775 1.00 0.00 C ATOM 764 CE LYS A 76 9.145 -16.154 -10.817 1.00 0.00 C ATOM 765 NZ LYS A 76 10.550 -16.374 -10.372 1.00 0.00 N ATOM 0 H LYS A 76 6.059 -11.731 -10.269 1.00 0.00 H new ATOM 0 HA LYS A 76 8.143 -12.236 -12.227 1.00 0.00 H new ATOM 0 HB2 LYS A 76 7.292 -13.843 -10.394 1.00 0.00 H new ATOM 0 HB3 LYS A 76 5.857 -14.053 -11.378 1.00 0.00 H new ATOM 0 HG2 LYS A 76 7.150 -15.750 -12.305 1.00 0.00 H new ATOM 0 HG3 LYS A 76 7.687 -14.434 -13.330 1.00 0.00 H new ATOM 0 HD2 LYS A 76 9.781 -15.121 -12.606 1.00 0.00 H new ATOM 0 HD3 LYS A 76 9.415 -14.057 -11.263 1.00 0.00 H new ATOM 0 HE2 LYS A 76 8.504 -15.969 -9.955 1.00 0.00 H new ATOM 0 HE3 LYS A 76 8.765 -17.048 -11.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 10.585 -17.184 -9.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 11.150 -16.569 -11.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 10.897 -15.523 -9.885 1.00 0.00 H new ATOM 779 N TYR A 77 6.382 -11.053 -13.858 1.00 0.00 N ATOM 780 CA TYR A 77 5.616 -10.739 -15.061 1.00 0.00 C ATOM 781 C TYR A 77 4.127 -10.710 -14.746 1.00 0.00 C ATOM 782 O TYR A 77 3.296 -10.975 -15.612 1.00 0.00 O ATOM 783 CB TYR A 77 5.880 -11.771 -16.163 1.00 0.00 C ATOM 784 CG TYR A 77 7.107 -11.369 -16.945 1.00 0.00 C ATOM 785 CD1 TYR A 77 7.013 -10.387 -17.938 1.00 0.00 C ATOM 786 CD2 TYR A 77 8.338 -11.979 -16.676 1.00 0.00 C ATOM 787 CE1 TYR A 77 8.152 -10.014 -18.663 1.00 0.00 C ATOM 788 CE2 TYR A 77 9.476 -11.606 -17.401 1.00 0.00 C ATOM 789 CZ TYR A 77 9.383 -10.624 -18.394 1.00 0.00 C ATOM 790 OH TYR A 77 10.506 -10.256 -19.109 1.00 0.00 O ATOM 0 H TYR A 77 7.021 -10.316 -13.559 1.00 0.00 H new ATOM 0 HA TYR A 77 5.934 -9.758 -15.413 1.00 0.00 H new ATOM 0 HB2 TYR A 77 6.023 -12.759 -15.725 1.00 0.00 H new ATOM 0 HB3 TYR A 77 5.018 -11.838 -16.827 1.00 0.00 H new ATOM 0 HD1 TYR A 77 6.063 -9.917 -18.145 1.00 0.00 H new ATOM 0 HD2 TYR A 77 8.410 -12.737 -15.910 1.00 0.00 H new ATOM 0 HE1 TYR A 77 8.081 -9.256 -19.429 1.00 0.00 H new ATOM 0 HE2 TYR A 77 10.426 -12.076 -17.194 1.00 0.00 H new ATOM 0 HH TYR A 77 11.277 -10.774 -18.797 1.00 0.00 H new ATOM 800 N VAL A 78 3.796 -10.371 -13.500 1.00 0.00 N ATOM 801 CA VAL A 78 2.396 -10.299 -13.096 1.00 0.00 C ATOM 802 C VAL A 78 1.955 -8.840 -12.907 1.00 0.00 C ATOM 803 O VAL A 78 0.937 -8.562 -12.274 1.00 0.00 O ATOM 804 CB VAL A 78 2.183 -11.089 -11.794 1.00 0.00 C ATOM 805 CG1 VAL A 78 2.940 -10.425 -10.638 1.00 0.00 C ATOM 806 CG2 VAL A 78 0.689 -11.145 -11.464 1.00 0.00 C ATOM 0 H VAL A 78 4.467 -10.146 -12.765 1.00 0.00 H new ATOM 0 HA VAL A 78 1.787 -10.740 -13.886 1.00 0.00 H new ATOM 0 HB VAL A 78 2.565 -12.101 -11.931 1.00 0.00 H new ATOM 0 HG11 VAL A 78 2.780 -10.995 -9.723 1.00 0.00 H new ATOM 0 HG12 VAL A 78 4.005 -10.399 -10.868 1.00 0.00 H new ATOM 0 HG13 VAL A 78 2.574 -9.408 -10.500 1.00 0.00 H new ATOM 0 HG21 VAL A 78 0.541 -11.705 -10.541 1.00 0.00 H new ATOM 0 HG22 VAL A 78 0.306 -10.132 -11.339 1.00 0.00 H new ATOM 0 HG23 VAL A 78 0.155 -11.637 -12.277 1.00 0.00 H new ATOM 816 N ALA A 79 2.725 -7.908 -13.472 1.00 0.00 N ATOM 817 CA ALA A 79 2.385 -6.496 -13.359 1.00 0.00 C ATOM 818 C ALA A 79 3.131 -5.676 -14.407 1.00 0.00 C ATOM 819 O ALA A 79 4.325 -5.870 -14.636 1.00 0.00 O ATOM 820 CB ALA A 79 2.739 -5.968 -11.967 1.00 0.00 C ATOM 0 H ALA A 79 3.573 -8.104 -14.003 1.00 0.00 H new ATOM 0 HA ALA A 79 1.312 -6.398 -13.522 1.00 0.00 H new ATOM 0 HB1 ALA A 79 2.478 -4.912 -11.901 1.00 0.00 H new ATOM 0 HB2 ALA A 79 2.183 -6.527 -11.214 1.00 0.00 H new ATOM 0 HB3 ALA A 79 3.808 -6.089 -11.793 1.00 0.00 H new ATOM 826 N LYS A 80 2.416 -4.746 -15.030 1.00 0.00 N ATOM 827 CA LYS A 80 3.015 -3.883 -16.043 1.00 0.00 C ATOM 828 C LYS A 80 2.490 -2.458 -15.881 1.00 0.00 C ATOM 829 O LYS A 80 1.491 -2.079 -16.492 1.00 0.00 O ATOM 830 CB LYS A 80 2.685 -4.398 -17.455 1.00 0.00 C ATOM 831 CG LYS A 80 3.976 -4.610 -18.251 1.00 0.00 C ATOM 832 CD LYS A 80 3.641 -5.193 -19.625 1.00 0.00 C ATOM 833 CE LYS A 80 4.641 -4.673 -20.659 1.00 0.00 C ATOM 834 NZ LYS A 80 5.906 -5.454 -20.562 1.00 0.00 N ATOM 0 H LYS A 80 1.427 -4.570 -14.853 1.00 0.00 H new ATOM 0 HA LYS A 80 4.097 -3.891 -15.912 1.00 0.00 H new ATOM 0 HB2 LYS A 80 2.131 -5.334 -17.389 1.00 0.00 H new ATOM 0 HB3 LYS A 80 2.043 -3.684 -17.971 1.00 0.00 H new ATOM 0 HG2 LYS A 80 4.504 -3.664 -18.365 1.00 0.00 H new ATOM 0 HG3 LYS A 80 4.642 -5.284 -17.711 1.00 0.00 H new ATOM 0 HD2 LYS A 80 3.674 -6.282 -19.587 1.00 0.00 H new ATOM 0 HD3 LYS A 80 2.627 -4.915 -19.912 1.00 0.00 H new ATOM 0 HE2 LYS A 80 4.223 -4.761 -21.662 1.00 0.00 H new ATOM 0 HE3 LYS A 80 4.840 -3.615 -20.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 6.587 -5.101 -21.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 6.307 -5.348 -19.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 5.709 -6.459 -20.745 1.00 0.00 H new ATOM 848 N VAL A 81 3.167 -1.675 -15.041 1.00 0.00 N ATOM 849 CA VAL A 81 2.745 -0.295 -14.801 1.00 0.00 C ATOM 850 C VAL A 81 3.835 0.682 -15.225 1.00 0.00 C ATOM 851 O VAL A 81 5.024 0.406 -15.088 1.00 0.00 O ATOM 852 CB VAL A 81 2.429 -0.076 -13.319 1.00 0.00 C ATOM 853 CG1 VAL A 81 1.783 1.299 -13.133 1.00 0.00 C ATOM 854 CG2 VAL A 81 1.461 -1.159 -12.835 1.00 0.00 C ATOM 0 H VAL A 81 3.996 -1.966 -14.523 1.00 0.00 H new ATOM 0 HA VAL A 81 1.847 -0.116 -15.393 1.00 0.00 H new ATOM 0 HB VAL A 81 3.352 -0.128 -12.742 1.00 0.00 H new ATOM 0 HG11 VAL A 81 1.558 1.455 -12.078 1.00 0.00 H new ATOM 0 HG12 VAL A 81 2.470 2.073 -13.476 1.00 0.00 H new ATOM 0 HG13 VAL A 81 0.861 1.349 -13.712 1.00 0.00 H new ATOM 0 HG21 VAL A 81 1.237 -1.002 -11.780 1.00 0.00 H new ATOM 0 HG22 VAL A 81 0.539 -1.107 -13.413 1.00 0.00 H new ATOM 0 HG23 VAL A 81 1.917 -2.140 -12.967 1.00 0.00 H new ATOM 864 N THR A 82 3.414 1.831 -15.747 1.00 0.00 N ATOM 865 CA THR A 82 4.369 2.841 -16.193 1.00 0.00 C ATOM 866 C THR A 82 3.699 4.207 -16.300 1.00 0.00 C ATOM 867 O THR A 82 2.475 4.318 -16.372 1.00 0.00 O ATOM 868 CB THR A 82 4.944 2.451 -17.560 1.00 0.00 C ATOM 869 OG1 THR A 82 5.457 1.128 -17.493 1.00 0.00 O ATOM 870 CG2 THR A 82 6.066 3.412 -17.951 1.00 0.00 C ATOM 0 H THR A 82 2.434 2.084 -15.870 1.00 0.00 H new ATOM 0 HA THR A 82 5.173 2.898 -15.459 1.00 0.00 H new ATOM 0 HB THR A 82 4.154 2.504 -18.309 1.00 0.00 H new ATOM 0 HG1 THR A 82 5.686 0.913 -16.565 1.00 0.00 H new ATOM 0 HG21 THR A 82 6.468 3.126 -18.923 1.00 0.00 H new ATOM 0 HG22 THR A 82 5.673 4.427 -18.005 1.00 0.00 H new ATOM 0 HG23 THR A 82 6.859 3.369 -17.204 1.00 0.00 H new ATOM 878 N THR A 83 4.528 5.246 -16.303 1.00 0.00 N ATOM 879 CA THR A 83 4.037 6.615 -16.395 1.00 0.00 C ATOM 880 C THR A 83 3.900 7.031 -17.861 1.00 0.00 C ATOM 881 O THR A 83 4.683 6.620 -18.718 1.00 0.00 O ATOM 882 CB THR A 83 5.025 7.552 -15.678 1.00 0.00 C ATOM 883 OG1 THR A 83 5.067 7.219 -14.299 1.00 0.00 O ATOM 884 CG2 THR A 83 4.604 9.016 -15.833 1.00 0.00 C ATOM 0 H THR A 83 5.543 5.165 -16.243 1.00 0.00 H new ATOM 0 HA THR A 83 3.057 6.680 -15.922 1.00 0.00 H new ATOM 0 HB THR A 83 6.010 7.427 -16.127 1.00 0.00 H new ATOM 0 HG1 THR A 83 5.699 6.484 -14.159 1.00 0.00 H new ATOM 0 HG21 THR A 83 5.319 9.657 -15.317 1.00 0.00 H new ATOM 0 HG22 THR A 83 4.580 9.278 -16.891 1.00 0.00 H new ATOM 0 HG23 THR A 83 3.613 9.157 -15.402 1.00 0.00 H new ATOM 892 N GLY A 84 2.891 7.855 -18.129 1.00 0.00 N ATOM 893 CA GLY A 84 2.644 8.333 -19.487 1.00 0.00 C ATOM 894 C GLY A 84 1.626 9.470 -19.489 1.00 0.00 C ATOM 895 O GLY A 84 1.013 9.775 -18.467 1.00 0.00 O ATOM 0 H GLY A 84 2.235 8.204 -17.430 1.00 0.00 H new ATOM 0 HA2 GLY A 84 3.578 8.676 -19.931 1.00 0.00 H new ATOM 0 HA3 GLY A 84 2.279 7.512 -20.105 1.00 0.00 H new ATOM 899 N GLY A 85 1.452 10.092 -20.654 1.00 0.00 N ATOM 900 CA GLY A 85 0.501 11.194 -20.784 1.00 0.00 C ATOM 901 C GLY A 85 1.210 12.490 -21.169 1.00 0.00 C ATOM 902 O GLY A 85 2.348 12.477 -21.640 1.00 0.00 O ATOM 0 H GLY A 85 1.951 9.855 -21.512 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -0.246 10.947 -21.538 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -0.031 11.333 -19.843 1.00 0.00 H new ATOM 906 N THR A 86 0.521 13.610 -20.962 1.00 0.00 N ATOM 907 CA THR A 86 1.085 14.914 -21.286 1.00 0.00 C ATOM 908 C THR A 86 0.516 15.988 -20.362 1.00 0.00 C ATOM 909 O THR A 86 -0.501 16.612 -20.666 1.00 0.00 O ATOM 910 CB THR A 86 0.771 15.287 -22.736 1.00 0.00 C ATOM 911 OG1 THR A 86 1.162 14.223 -23.593 1.00 0.00 O ATOM 912 CG2 THR A 86 1.534 16.555 -23.113 1.00 0.00 C ATOM 0 H THR A 86 -0.422 13.639 -20.574 1.00 0.00 H new ATOM 0 HA THR A 86 2.165 14.855 -21.151 1.00 0.00 H new ATOM 0 HB THR A 86 -0.299 15.464 -22.843 1.00 0.00 H new ATOM 0 HG1 THR A 86 0.960 14.460 -24.522 1.00 0.00 H new ATOM 0 HG21 THR A 86 1.310 16.821 -24.146 1.00 0.00 H new ATOM 0 HG22 THR A 86 1.232 17.370 -22.455 1.00 0.00 H new ATOM 0 HG23 THR A 86 2.605 16.380 -23.007 1.00 0.00 H new ATOM 920 N ALA A 87 1.186 16.200 -19.234 1.00 0.00 N ATOM 921 CA ALA A 87 0.742 17.207 -18.271 1.00 0.00 C ATOM 922 C ALA A 87 1.723 18.374 -18.236 1.00 0.00 C ATOM 923 O ALA A 87 2.654 18.444 -19.038 1.00 0.00 O ATOM 924 CB ALA A 87 0.631 16.605 -16.870 1.00 0.00 C ATOM 0 H ALA A 87 2.030 15.695 -18.964 1.00 0.00 H new ATOM 0 HA ALA A 87 -0.239 17.563 -18.586 1.00 0.00 H new ATOM 0 HB1 ALA A 87 0.299 17.372 -16.170 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -0.090 15.788 -16.881 1.00 0.00 H new ATOM 0 HB3 ALA A 87 1.604 16.226 -16.559 1.00 0.00 H new ATOM 930 N ALA A 88 1.503 19.291 -17.294 1.00 0.00 N ATOM 931 CA ALA A 88 2.372 20.460 -17.155 1.00 0.00 C ATOM 932 C ALA A 88 1.851 21.364 -16.038 1.00 0.00 C ATOM 933 O ALA A 88 1.548 22.540 -16.250 1.00 0.00 O ATOM 934 CB ALA A 88 2.432 21.256 -18.468 1.00 0.00 C ATOM 0 H ALA A 88 0.738 19.249 -16.621 1.00 0.00 H new ATOM 0 HA ALA A 88 3.376 20.112 -16.910 1.00 0.00 H new ATOM 0 HB1 ALA A 88 3.084 22.120 -18.340 1.00 0.00 H new ATOM 0 HB2 ALA A 88 2.824 20.620 -19.262 1.00 0.00 H new ATOM 0 HB3 ALA A 88 1.431 21.593 -18.735 1.00 0.00 H new ATOM 940 N ALA A 89 1.741 20.795 -14.841 1.00 0.00 N ATOM 941 CA ALA A 89 1.244 21.549 -13.693 1.00 0.00 C ATOM 942 C ALA A 89 -0.192 22.001 -13.945 1.00 0.00 C ATOM 943 O ALA A 89 -0.580 23.118 -13.604 1.00 0.00 O ATOM 944 CB ALA A 89 2.123 22.776 -13.427 1.00 0.00 C ATOM 0 H ALA A 89 1.986 19.825 -14.641 1.00 0.00 H new ATOM 0 HA ALA A 89 1.274 20.897 -12.820 1.00 0.00 H new ATOM 0 HB1 ALA A 89 1.734 23.323 -12.568 1.00 0.00 H new ATOM 0 HB2 ALA A 89 3.144 22.454 -13.221 1.00 0.00 H new ATOM 0 HB3 ALA A 89 2.117 23.425 -14.303 1.00 0.00 H new ATOM 950 N SER A 90 -0.977 21.113 -14.551 1.00 0.00 N ATOM 951 CA SER A 90 -2.373 21.422 -14.848 1.00 0.00 C ATOM 952 C SER A 90 -3.207 20.143 -14.950 1.00 0.00 C ATOM 953 O SER A 90 -4.241 20.116 -15.616 1.00 0.00 O ATOM 954 CB SER A 90 -2.480 22.189 -16.165 1.00 0.00 C ATOM 955 OG SER A 90 -2.192 21.309 -17.245 1.00 0.00 O ATOM 0 H SER A 90 -0.674 20.184 -14.843 1.00 0.00 H new ATOM 0 HA SER A 90 -2.756 22.035 -14.032 1.00 0.00 H new ATOM 0 HB2 SER A 90 -3.481 22.605 -16.277 1.00 0.00 H new ATOM 0 HB3 SER A 90 -1.784 23.028 -16.168 1.00 0.00 H new ATOM 0 HG SER A 90 -2.261 21.797 -18.092 1.00 0.00 H new ATOM 961 N GLY A 91 -2.750 19.086 -14.275 1.00 0.00 N ATOM 962 CA GLY A 91 -3.465 17.806 -14.288 1.00 0.00 C ATOM 963 C GLY A 91 -3.746 17.333 -15.712 1.00 0.00 C ATOM 964 O GLY A 91 -4.767 17.679 -16.305 1.00 0.00 O ATOM 0 H GLY A 91 -1.896 19.089 -13.717 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -2.875 17.054 -13.764 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -4.405 17.908 -13.746 1.00 0.00 H new ATOM 968 N GLY A 92 -2.831 16.535 -16.251 1.00 0.00 N ATOM 969 CA GLY A 92 -2.997 16.019 -17.605 1.00 0.00 C ATOM 970 C GLY A 92 -2.121 14.794 -17.834 1.00 0.00 C ATOM 971 O GLY A 92 -1.632 14.564 -18.940 1.00 0.00 O ATOM 0 H GLY A 92 -1.978 16.234 -15.779 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -4.042 15.760 -17.773 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -2.741 16.794 -18.327 1.00 0.00 H new ATOM 975 N CYS A 93 -1.924 14.006 -16.779 1.00 0.00 N ATOM 976 CA CYS A 93 -1.099 12.807 -16.894 1.00 0.00 C ATOM 977 C CYS A 93 -1.951 11.551 -16.771 1.00 0.00 C ATOM 978 O CYS A 93 -2.886 11.489 -15.973 1.00 0.00 O ATOM 979 CB CYS A 93 -0.011 12.784 -15.813 1.00 0.00 C ATOM 980 SG CYS A 93 1.492 13.587 -16.432 1.00 0.00 S ATOM 0 H CYS A 93 -2.316 14.172 -15.852 1.00 0.00 H new ATOM 0 HA CYS A 93 -0.627 12.828 -17.876 1.00 0.00 H new ATOM 0 HB2 CYS A 93 -0.365 13.296 -14.918 1.00 0.00 H new ATOM 0 HB3 CYS A 93 0.208 11.755 -15.527 1.00 0.00 H new ATOM 985 N THR A 94 -1.612 10.549 -17.575 1.00 0.00 N ATOM 986 CA THR A 94 -2.344 9.288 -17.559 1.00 0.00 C ATOM 987 C THR A 94 -1.377 8.114 -17.472 1.00 0.00 C ATOM 988 O THR A 94 -0.582 7.867 -18.378 1.00 0.00 O ATOM 989 CB THR A 94 -3.206 9.140 -18.818 1.00 0.00 C ATOM 990 OG1 THR A 94 -3.707 7.812 -18.891 1.00 0.00 O ATOM 991 CG2 THR A 94 -2.365 9.438 -20.060 1.00 0.00 C ATOM 0 H THR A 94 -0.841 10.585 -18.241 1.00 0.00 H new ATOM 0 HA THR A 94 -2.993 9.291 -16.683 1.00 0.00 H new ATOM 0 HB THR A 94 -4.037 9.844 -18.772 1.00 0.00 H new ATOM 0 HG1 THR A 94 -4.082 7.556 -18.023 1.00 0.00 H new ATOM 0 HG21 THR A 94 -2.983 9.331 -20.952 1.00 0.00 H new ATOM 0 HG22 THR A 94 -1.982 10.457 -20.004 1.00 0.00 H new ATOM 0 HG23 THR A 94 -1.531 8.739 -20.111 1.00 0.00 H new ATOM 999 N ILE A 95 -1.461 7.396 -16.359 1.00 0.00 N ATOM 1000 CA ILE A 95 -0.599 6.240 -16.130 1.00 0.00 C ATOM 1001 C ILE A 95 -1.369 4.965 -16.469 1.00 0.00 C ATOM 1002 O ILE A 95 -2.558 4.845 -16.177 1.00 0.00 O ATOM 1003 CB ILE A 95 -0.134 6.227 -14.662 1.00 0.00 C ATOM 1004 CG1 ILE A 95 0.749 7.459 -14.417 1.00 0.00 C ATOM 1005 CG2 ILE A 95 0.674 4.955 -14.345 1.00 0.00 C ATOM 1006 CD1 ILE A 95 -0.122 8.707 -14.253 1.00 0.00 C ATOM 0 H ILE A 95 -2.115 7.592 -15.601 1.00 0.00 H new ATOM 0 HA ILE A 95 0.282 6.297 -16.769 1.00 0.00 H new ATOM 0 HB ILE A 95 -1.011 6.244 -14.015 1.00 0.00 H new ATOM 0 HG12 ILE A 95 1.355 7.309 -13.524 1.00 0.00 H new ATOM 0 HG13 ILE A 95 1.438 7.594 -15.251 1.00 0.00 H new ATOM 0 HG21 ILE A 95 0.989 4.974 -13.302 1.00 0.00 H new ATOM 0 HG22 ILE A 95 0.053 4.076 -14.521 1.00 0.00 H new ATOM 0 HG23 ILE A 95 1.553 4.913 -14.988 1.00 0.00 H new ATOM 0 HD11 ILE A 95 0.515 9.575 -14.080 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -0.709 8.863 -15.158 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -0.793 8.574 -13.404 1.00 0.00 H new ATOM 1018 N VAL A 96 -0.680 4.020 -17.103 1.00 0.00 N ATOM 1019 CA VAL A 96 -1.318 2.765 -17.492 1.00 0.00 C ATOM 1020 C VAL A 96 -0.730 1.585 -16.715 1.00 0.00 C ATOM 1021 O VAL A 96 0.482 1.369 -16.700 1.00 0.00 O ATOM 1022 CB VAL A 96 -1.151 2.533 -19.006 1.00 0.00 C ATOM 1023 CG1 VAL A 96 0.335 2.401 -19.361 1.00 0.00 C ATOM 1024 CG2 VAL A 96 -1.889 1.257 -19.425 1.00 0.00 C ATOM 0 H VAL A 96 0.305 4.096 -17.355 1.00 0.00 H new ATOM 0 HA VAL A 96 -2.379 2.836 -17.254 1.00 0.00 H new ATOM 0 HB VAL A 96 -1.572 3.387 -19.537 1.00 0.00 H new ATOM 0 HG11 VAL A 96 0.440 2.237 -20.434 1.00 0.00 H new ATOM 0 HG12 VAL A 96 0.859 3.315 -19.081 1.00 0.00 H new ATOM 0 HG13 VAL A 96 0.764 1.557 -18.822 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -1.766 1.101 -20.497 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.478 0.405 -18.884 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -2.949 1.357 -19.193 1.00 0.00 H new ATOM 1034 N ALA A 97 -1.615 0.819 -16.083 1.00 0.00 N ATOM 1035 CA ALA A 97 -1.195 -0.351 -15.315 1.00 0.00 C ATOM 1036 C ALA A 97 -1.715 -1.615 -15.991 1.00 0.00 C ATOM 1037 O ALA A 97 -2.682 -1.570 -16.752 1.00 0.00 O ATOM 1038 CB ALA A 97 -1.741 -0.284 -13.887 1.00 0.00 C ATOM 0 H ALA A 97 -2.621 0.985 -16.087 1.00 0.00 H new ATOM 0 HA ALA A 97 -0.106 -0.368 -15.275 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -1.417 -1.164 -13.332 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -1.365 0.613 -13.396 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -2.830 -0.253 -13.915 1.00 0.00 H new ATOM 1044 N THR A 98 -1.065 -2.743 -15.718 1.00 0.00 N ATOM 1045 CA THR A 98 -1.489 -4.001 -16.330 1.00 0.00 C ATOM 1046 C THR A 98 -1.083 -5.203 -15.479 1.00 0.00 C ATOM 1047 O THR A 98 -0.131 -5.150 -14.702 1.00 0.00 O ATOM 1048 CB THR A 98 -0.865 -4.147 -17.722 1.00 0.00 C ATOM 1049 OG1 THR A 98 -1.116 -2.968 -18.475 1.00 0.00 O ATOM 1050 CG2 THR A 98 -1.475 -5.352 -18.439 1.00 0.00 C ATOM 0 H THR A 98 -0.262 -2.814 -15.093 1.00 0.00 H new ATOM 0 HA THR A 98 -2.576 -3.977 -16.406 1.00 0.00 H new ATOM 0 HB THR A 98 0.210 -4.297 -17.623 1.00 0.00 H new ATOM 0 HG1 THR A 98 -0.717 -3.057 -19.366 1.00 0.00 H new ATOM 0 HG21 THR A 98 -1.028 -5.451 -19.428 1.00 0.00 H new ATOM 0 HG22 THR A 98 -1.282 -6.256 -17.861 1.00 0.00 H new ATOM 0 HG23 THR A 98 -2.551 -5.209 -18.540 1.00 0.00 H new ATOM 1058 N MET A 99 -1.825 -6.294 -15.659 1.00 0.00 N ATOM 1059 CA MET A 99 -1.561 -7.536 -14.934 1.00 0.00 C ATOM 1060 C MET A 99 -1.607 -8.702 -15.916 1.00 0.00 C ATOM 1061 O MET A 99 -2.673 -9.066 -16.411 1.00 0.00 O ATOM 1062 CB MET A 99 -2.612 -7.766 -13.846 1.00 0.00 C ATOM 1063 CG MET A 99 -2.557 -6.625 -12.826 1.00 0.00 C ATOM 1064 SD MET A 99 -1.449 -7.075 -11.467 1.00 0.00 S ATOM 1065 CE MET A 99 -0.989 -5.394 -10.981 1.00 0.00 C ATOM 0 H MET A 99 -2.615 -6.343 -16.302 1.00 0.00 H new ATOM 0 HA MET A 99 -0.580 -7.464 -14.465 1.00 0.00 H new ATOM 0 HB2 MET A 99 -3.605 -7.821 -14.292 1.00 0.00 H new ATOM 0 HB3 MET A 99 -2.433 -8.720 -13.349 1.00 0.00 H new ATOM 0 HG2 MET A 99 -2.207 -5.711 -13.306 1.00 0.00 H new ATOM 0 HG3 MET A 99 -3.556 -6.420 -12.441 1.00 0.00 H new ATOM 0 HE1 MET A 99 -0.296 -5.435 -10.141 1.00 0.00 H new ATOM 0 HE2 MET A 99 -0.511 -4.890 -11.821 1.00 0.00 H new ATOM 0 HE3 MET A 99 -1.882 -4.843 -10.688 1.00 0.00 H new ATOM 1075 N LYS A 100 -0.442 -9.268 -16.218 1.00 0.00 N ATOM 1076 CA LYS A 100 -0.384 -10.374 -17.173 1.00 0.00 C ATOM 1077 C LYS A 100 0.058 -11.670 -16.502 1.00 0.00 C ATOM 1078 O LYS A 100 0.929 -11.675 -15.641 1.00 0.00 O ATOM 1079 CB LYS A 100 0.589 -10.029 -18.298 1.00 0.00 C ATOM 1080 CG LYS A 100 0.092 -8.777 -19.031 1.00 0.00 C ATOM 1081 CD LYS A 100 -0.613 -9.187 -20.326 1.00 0.00 C ATOM 1082 CE LYS A 100 -1.734 -8.192 -20.635 1.00 0.00 C ATOM 1083 NZ LYS A 100 -2.088 -8.276 -22.080 1.00 0.00 N ATOM 0 H LYS A 100 0.457 -8.988 -15.826 1.00 0.00 H new ATOM 0 HA LYS A 100 -1.386 -10.523 -17.575 1.00 0.00 H new ATOM 0 HB2 LYS A 100 1.586 -9.855 -17.892 1.00 0.00 H new ATOM 0 HB3 LYS A 100 0.669 -10.864 -18.994 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -0.593 -8.218 -18.394 1.00 0.00 H new ATOM 0 HG3 LYS A 100 0.930 -8.117 -19.254 1.00 0.00 H new ATOM 0 HD2 LYS A 100 0.101 -9.213 -21.149 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -1.022 -10.193 -20.227 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -2.608 -8.411 -20.022 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -1.415 -7.180 -20.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -2.850 -7.600 -22.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -1.253 -8.047 -22.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -2.409 -9.240 -22.303 1.00 0.00 H new ATOM 1097 N ALA A 101 -0.558 -12.776 -16.914 1.00 0.00 N ATOM 1098 CA ALA A 101 -0.226 -14.087 -16.351 1.00 0.00 C ATOM 1099 C ALA A 101 -0.357 -14.075 -14.827 1.00 0.00 C ATOM 1100 O ALA A 101 0.377 -14.766 -14.121 1.00 0.00 O ATOM 1101 CB ALA A 101 1.205 -14.480 -16.723 1.00 0.00 C ATOM 0 H ALA A 101 -1.284 -12.793 -17.630 1.00 0.00 H new ATOM 0 HA ALA A 101 -0.926 -14.813 -16.765 1.00 0.00 H new ATOM 0 HB1 ALA A 101 1.437 -15.456 -16.297 1.00 0.00 H new ATOM 0 HB2 ALA A 101 1.299 -14.526 -17.808 1.00 0.00 H new ATOM 0 HB3 ALA A 101 1.900 -13.738 -16.329 1.00 0.00 H new ATOM 1107 N SER A 102 -1.297 -13.275 -14.334 1.00 0.00 N ATOM 1108 CA SER A 102 -1.515 -13.171 -12.893 1.00 0.00 C ATOM 1109 C SER A 102 -2.343 -14.375 -12.395 1.00 0.00 C ATOM 1110 O SER A 102 -2.152 -15.492 -12.876 1.00 0.00 O ATOM 1111 CB SER A 102 -2.222 -11.844 -12.584 1.00 0.00 C ATOM 1112 OG SER A 102 -2.064 -11.538 -11.205 1.00 0.00 O ATOM 0 H SER A 102 -1.914 -12.695 -14.902 1.00 0.00 H new ATOM 0 HA SER A 102 -0.558 -13.186 -12.371 1.00 0.00 H new ATOM 0 HB2 SER A 102 -1.804 -11.045 -13.196 1.00 0.00 H new ATOM 0 HB3 SER A 102 -3.281 -11.916 -12.833 1.00 0.00 H new ATOM 0 HG SER A 102 -2.513 -10.690 -11.004 1.00 0.00 H new ATOM 1118 N ASP A 103 -3.259 -14.160 -11.439 1.00 0.00 N ATOM 1119 CA ASP A 103 -4.073 -15.260 -10.927 1.00 0.00 C ATOM 1120 C ASP A 103 -5.432 -14.748 -10.453 1.00 0.00 C ATOM 1121 O ASP A 103 -6.470 -15.331 -10.765 1.00 0.00 O ATOM 1122 CB ASP A 103 -3.366 -15.963 -9.762 1.00 0.00 C ATOM 1123 CG ASP A 103 -2.919 -14.933 -8.731 1.00 0.00 C ATOM 1124 OD1 ASP A 103 -2.056 -14.133 -9.056 1.00 0.00 O ATOM 1125 OD2 ASP A 103 -3.444 -14.959 -7.629 1.00 0.00 O ATOM 0 H ASP A 103 -3.449 -13.252 -11.015 1.00 0.00 H new ATOM 0 HA ASP A 103 -4.218 -15.971 -11.740 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -4.038 -16.686 -9.300 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -2.504 -16.520 -10.130 1.00 0.00 H new ATOM 1130 N VAL A 104 -5.416 -13.651 -9.698 1.00 0.00 N ATOM 1131 CA VAL A 104 -6.658 -13.070 -9.191 1.00 0.00 C ATOM 1132 C VAL A 104 -7.556 -12.645 -10.350 1.00 0.00 C ATOM 1133 O VAL A 104 -7.088 -12.083 -11.341 1.00 0.00 O ATOM 1134 CB VAL A 104 -6.364 -11.853 -8.310 1.00 0.00 C ATOM 1135 CG1 VAL A 104 -5.584 -12.299 -7.071 1.00 0.00 C ATOM 1136 CG2 VAL A 104 -5.533 -10.834 -9.097 1.00 0.00 C ATOM 0 H VAL A 104 -4.569 -13.152 -9.426 1.00 0.00 H new ATOM 0 HA VAL A 104 -7.167 -13.828 -8.596 1.00 0.00 H new ATOM 0 HB VAL A 104 -7.304 -11.393 -8.005 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -5.374 -11.434 -6.442 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -6.176 -13.021 -6.509 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -4.646 -12.761 -7.378 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -5.326 -9.969 -8.467 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -4.593 -11.292 -9.406 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -6.088 -10.515 -9.979 1.00 0.00 H new ATOM 1146 N ALA A 105 -8.851 -12.923 -10.216 1.00 0.00 N ATOM 1147 CA ALA A 105 -9.812 -12.572 -11.261 1.00 0.00 C ATOM 1148 C ALA A 105 -9.494 -13.332 -12.545 1.00 0.00 C ATOM 1149 O ALA A 105 -8.428 -13.158 -13.132 1.00 0.00 O ATOM 1150 CB ALA A 105 -9.782 -11.068 -11.547 1.00 0.00 C ATOM 0 H ALA A 105 -9.257 -13.386 -9.403 1.00 0.00 H new ATOM 0 HA ALA A 105 -10.806 -12.846 -10.908 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -10.505 -10.832 -12.328 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -10.035 -10.520 -10.640 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -8.784 -10.780 -11.878 1.00 0.00 H new ATOM 1156 N THR A 106 -10.434 -14.178 -12.963 1.00 0.00 N ATOM 1157 CA THR A 106 -10.265 -14.982 -14.179 1.00 0.00 C ATOM 1158 C THR A 106 -9.050 -15.908 -14.043 1.00 0.00 C ATOM 1159 O THR A 106 -8.108 -15.602 -13.311 1.00 0.00 O ATOM 1160 CB THR A 106 -10.094 -14.100 -15.431 1.00 0.00 C ATOM 1161 OG1 THR A 106 -8.758 -13.624 -15.511 1.00 0.00 O ATOM 1162 CG2 THR A 106 -11.059 -12.910 -15.378 1.00 0.00 C ATOM 0 H THR A 106 -11.320 -14.327 -12.481 1.00 0.00 H new ATOM 0 HA THR A 106 -11.171 -15.576 -14.300 1.00 0.00 H new ATOM 0 HB THR A 106 -10.317 -14.701 -16.313 1.00 0.00 H new ATOM 0 HG1 THR A 106 -8.541 -13.120 -14.699 1.00 0.00 H new ATOM 0 HG21 THR A 106 -10.928 -12.295 -16.268 1.00 0.00 H new ATOM 0 HG22 THR A 106 -12.085 -13.275 -15.337 1.00 0.00 H new ATOM 0 HG23 THR A 106 -10.851 -12.312 -14.490 1.00 0.00 H new ATOM 1170 N PRO A 107 -9.051 -17.058 -14.740 1.00 0.00 N ATOM 1171 CA PRO A 107 -7.930 -18.012 -14.671 1.00 0.00 C ATOM 1172 C PRO A 107 -6.776 -17.630 -15.593 1.00 0.00 C ATOM 1173 O PRO A 107 -5.609 -17.869 -15.283 1.00 0.00 O ATOM 1174 CB PRO A 107 -8.581 -19.311 -15.131 1.00 0.00 C ATOM 1175 CG PRO A 107 -9.792 -18.931 -15.976 1.00 0.00 C ATOM 1176 CD PRO A 107 -10.155 -17.481 -15.635 1.00 0.00 C ATOM 0 HA PRO A 107 -7.481 -18.059 -13.679 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -7.879 -19.909 -15.712 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -8.883 -19.915 -14.275 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -9.565 -19.030 -17.038 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -10.630 -19.596 -15.766 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -10.210 -16.859 -16.528 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -11.124 -17.414 -15.139 1.00 0.00 H new ATOM 1184 N LEU A 108 -7.117 -17.033 -16.732 1.00 0.00 N ATOM 1185 CA LEU A 108 -6.110 -16.619 -17.702 1.00 0.00 C ATOM 1186 C LEU A 108 -5.139 -15.619 -17.081 1.00 0.00 C ATOM 1187 O LEU A 108 -3.974 -15.931 -16.837 1.00 0.00 O ATOM 1188 CB LEU A 108 -6.790 -15.974 -18.912 1.00 0.00 C ATOM 1189 CG LEU A 108 -7.479 -16.939 -19.890 1.00 0.00 C ATOM 1190 CD1 LEU A 108 -6.426 -17.618 -20.768 1.00 0.00 C ATOM 1191 CD2 LEU A 108 -8.271 -18.011 -19.129 1.00 0.00 C ATOM 0 H LEU A 108 -8.078 -16.826 -17.004 1.00 0.00 H new ATOM 0 HA LEU A 108 -5.554 -17.503 -18.016 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -7.533 -15.263 -18.550 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -6.043 -15.402 -19.462 1.00 0.00 H new ATOM 0 HG LEU A 108 -8.169 -16.367 -20.511 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -6.916 -18.302 -21.461 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -5.879 -16.862 -21.331 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -5.732 -18.175 -20.139 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -8.750 -18.683 -19.841 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -7.594 -18.580 -18.492 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -9.032 -17.532 -18.513 1.00 0.00 H new ATOM 1203 N ARG A 109 -5.634 -14.412 -16.832 1.00 0.00 N ATOM 1204 CA ARG A 109 -4.807 -13.367 -16.243 1.00 0.00 C ATOM 1205 C ARG A 109 -5.645 -12.131 -15.928 1.00 0.00 C ATOM 1206 O ARG A 109 -6.860 -12.122 -16.121 1.00 0.00 O ATOM 1207 CB ARG A 109 -3.683 -12.978 -17.203 1.00 0.00 C ATOM 1208 CG ARG A 109 -4.276 -12.565 -18.553 1.00 0.00 C ATOM 1209 CD ARG A 109 -4.441 -11.046 -18.596 1.00 0.00 C ATOM 1210 NE ARG A 109 -4.550 -10.575 -19.979 1.00 0.00 N ATOM 1211 CZ ARG A 109 -5.655 -10.771 -20.714 1.00 0.00 C ATOM 1212 NH1 ARG A 109 -6.694 -11.406 -20.224 1.00 0.00 N ATOM 1213 NH2 ARG A 109 -5.698 -10.325 -21.939 1.00 0.00 N ATOM 0 H ARG A 109 -6.596 -14.135 -17.027 1.00 0.00 H new ATOM 0 HA ARG A 109 -4.380 -13.756 -15.318 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -3.102 -12.157 -16.784 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -2.999 -13.816 -17.337 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -3.625 -12.894 -19.363 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -5.241 -13.050 -18.702 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -5.331 -10.756 -18.037 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -3.590 -10.569 -18.110 1.00 0.00 H new ATOM 0 HE ARG A 109 -3.760 -10.082 -20.396 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -6.671 -11.761 -19.268 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -7.525 -11.545 -20.799 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -4.896 -9.832 -22.331 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -6.534 -10.469 -22.505 1.00 0.00 H new ATOM 1227 N GLY A 110 -4.980 -11.086 -15.441 1.00 0.00 N ATOM 1228 CA GLY A 110 -5.673 -9.847 -15.103 1.00 0.00 C ATOM 1229 C GLY A 110 -6.175 -9.150 -16.362 1.00 0.00 C ATOM 1230 O GLY A 110 -7.181 -9.551 -16.945 1.00 0.00 O ATOM 0 H GLY A 110 -3.974 -11.072 -15.273 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -6.512 -10.063 -14.442 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -5.000 -9.185 -14.559 1.00 0.00 H new ATOM 1234 N LYS A 111 -5.453 -8.099 -16.769 1.00 0.00 N ATOM 1235 CA LYS A 111 -5.797 -7.312 -17.968 1.00 0.00 C ATOM 1236 C LYS A 111 -5.089 -5.961 -17.894 1.00 0.00 C ATOM 1237 O LYS A 111 -4.218 -5.758 -17.048 1.00 0.00 O ATOM 1238 CB LYS A 111 -7.319 -7.090 -18.092 1.00 0.00 C ATOM 1239 CG LYS A 111 -7.883 -7.993 -19.200 1.00 0.00 C ATOM 1240 CD LYS A 111 -7.420 -7.486 -20.568 1.00 0.00 C ATOM 1241 CE LYS A 111 -8.454 -7.864 -21.629 1.00 0.00 C ATOM 1242 NZ LYS A 111 -8.451 -6.840 -22.712 1.00 0.00 N ATOM 0 H LYS A 111 -4.619 -7.769 -16.283 1.00 0.00 H new ATOM 0 HA LYS A 111 -5.471 -7.869 -18.847 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -7.808 -7.313 -17.143 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -7.527 -6.045 -18.320 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -7.549 -9.020 -19.050 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -8.972 -8.002 -19.155 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -7.289 -6.404 -20.542 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -6.451 -7.918 -20.819 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -8.225 -8.846 -22.042 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -9.445 -7.931 -21.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -9.154 -7.096 -23.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -8.689 -5.910 -22.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -7.507 -6.798 -23.147 1.00 0.00 H new ATOM 1256 N THR A 112 -5.456 -5.035 -18.781 1.00 0.00 N ATOM 1257 CA THR A 112 -4.819 -3.718 -18.780 1.00 0.00 C ATOM 1258 C THR A 112 -5.800 -2.639 -18.329 1.00 0.00 C ATOM 1259 O THR A 112 -6.987 -2.679 -18.653 1.00 0.00 O ATOM 1260 CB THR A 112 -4.295 -3.370 -20.177 1.00 0.00 C ATOM 1261 OG1 THR A 112 -5.387 -3.228 -21.071 1.00 0.00 O ATOM 1262 CG2 THR A 112 -3.368 -4.483 -20.674 1.00 0.00 C ATOM 0 H THR A 112 -6.174 -5.167 -19.494 1.00 0.00 H new ATOM 0 HA THR A 112 -3.984 -3.756 -18.080 1.00 0.00 H new ATOM 0 HB THR A 112 -3.739 -2.433 -20.130 1.00 0.00 H new ATOM 0 HG1 THR A 112 -5.052 -3.004 -21.964 1.00 0.00 H new ATOM 0 HG21 THR A 112 -2.998 -4.231 -21.668 1.00 0.00 H new ATOM 0 HG22 THR A 112 -2.527 -4.589 -19.989 1.00 0.00 H new ATOM 0 HG23 THR A 112 -3.919 -5.422 -20.719 1.00 0.00 H new ATOM 1270 N LEU A 113 -5.282 -1.671 -17.574 1.00 0.00 N ATOM 1271 CA LEU A 113 -6.106 -0.575 -17.069 1.00 0.00 C ATOM 1272 C LEU A 113 -5.310 0.729 -17.085 1.00 0.00 C ATOM 1273 O LEU A 113 -4.081 0.722 -17.012 1.00 0.00 O ATOM 1274 CB LEU A 113 -6.566 -0.875 -15.639 1.00 0.00 C ATOM 1275 CG LEU A 113 -7.307 0.265 -14.929 1.00 0.00 C ATOM 1276 CD1 LEU A 113 -8.316 -0.318 -13.936 1.00 0.00 C ATOM 1277 CD2 LEU A 113 -6.297 1.135 -14.176 1.00 0.00 C ATOM 0 H LEU A 113 -4.301 -1.624 -17.300 1.00 0.00 H new ATOM 0 HA LEU A 113 -6.980 -0.472 -17.712 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -7.217 -1.749 -15.662 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -5.693 -1.143 -15.044 1.00 0.00 H new ATOM 0 HG LEU A 113 -7.834 0.870 -15.667 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -8.841 0.493 -13.433 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -9.035 -0.939 -14.470 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -7.791 -0.924 -13.197 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -6.821 1.946 -13.670 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -5.772 0.528 -13.439 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -5.578 1.552 -14.882 1.00 0.00 H new ATOM 1289 N THR A 114 -6.021 1.851 -17.183 1.00 0.00 N ATOM 1290 CA THR A 114 -5.361 3.156 -17.214 1.00 0.00 C ATOM 1291 C THR A 114 -6.241 4.231 -16.574 1.00 0.00 C ATOM 1292 O THR A 114 -7.468 4.143 -16.587 1.00 0.00 O ATOM 1293 CB THR A 114 -5.054 3.561 -18.657 1.00 0.00 C ATOM 1294 OG1 THR A 114 -4.500 2.450 -19.350 1.00 0.00 O ATOM 1295 CG2 THR A 114 -4.055 4.720 -18.668 1.00 0.00 C ATOM 0 H THR A 114 -7.039 1.885 -17.242 1.00 0.00 H new ATOM 0 HA THR A 114 -4.433 3.071 -16.648 1.00 0.00 H new ATOM 0 HB THR A 114 -5.975 3.877 -19.148 1.00 0.00 H new ATOM 0 HG1 THR A 114 -4.304 2.706 -20.275 1.00 0.00 H new ATOM 0 HG21 THR A 114 -3.839 5.005 -19.698 1.00 0.00 H new ATOM 0 HG22 THR A 114 -4.480 5.572 -18.137 1.00 0.00 H new ATOM 0 HG23 THR A 114 -3.133 4.410 -18.177 1.00 0.00 H new ATOM 1303 N LEU A 115 -5.586 5.251 -16.024 1.00 0.00 N ATOM 1304 CA LEU A 115 -6.295 6.360 -15.382 1.00 0.00 C ATOM 1305 C LEU A 115 -5.613 7.681 -15.741 1.00 0.00 C ATOM 1306 O LEU A 115 -4.487 7.694 -16.236 1.00 0.00 O ATOM 1307 CB LEU A 115 -6.292 6.188 -13.861 1.00 0.00 C ATOM 1308 CG LEU A 115 -7.482 5.413 -13.292 1.00 0.00 C ATOM 1309 CD1 LEU A 115 -7.260 3.913 -13.496 1.00 0.00 C ATOM 1310 CD2 LEU A 115 -7.616 5.711 -11.798 1.00 0.00 C ATOM 0 H LEU A 115 -4.570 5.334 -16.009 1.00 0.00 H new ATOM 0 HA LEU A 115 -7.326 6.367 -15.737 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -5.374 5.677 -13.571 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -6.267 7.175 -13.400 1.00 0.00 H new ATOM 0 HG LEU A 115 -8.393 5.717 -13.807 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -8.108 3.361 -13.090 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -7.165 3.701 -14.561 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -6.349 3.607 -12.982 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -8.464 5.159 -11.392 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -6.705 5.407 -11.283 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -7.775 6.779 -11.653 1.00 0.00 H new ATOM 1322 N THR A 116 -6.305 8.792 -15.487 1.00 0.00 N ATOM 1323 CA THR A 116 -5.746 10.110 -15.796 1.00 0.00 C ATOM 1324 C THR A 116 -5.811 11.029 -14.578 1.00 0.00 C ATOM 1325 O THR A 116 -6.568 10.788 -13.640 1.00 0.00 O ATOM 1326 CB THR A 116 -6.513 10.760 -16.950 1.00 0.00 C ATOM 1327 OG1 THR A 116 -6.709 9.804 -17.983 1.00 0.00 O ATOM 1328 CG2 THR A 116 -5.716 11.945 -17.494 1.00 0.00 C ATOM 0 H THR A 116 -7.238 8.808 -15.075 1.00 0.00 H new ATOM 0 HA THR A 116 -4.704 9.968 -16.083 1.00 0.00 H new ATOM 0 HB THR A 116 -7.480 11.112 -16.591 1.00 0.00 H new ATOM 0 HG1 THR A 116 -7.202 10.218 -18.722 1.00 0.00 H new ATOM 0 HG21 THR A 116 -6.264 12.406 -18.316 1.00 0.00 H new ATOM 0 HG22 THR A 116 -5.567 12.678 -16.701 1.00 0.00 H new ATOM 0 HG23 THR A 116 -4.748 11.598 -17.854 1.00 0.00 H new ATOM 1336 N LEU A 117 -5.001 12.089 -14.608 1.00 0.00 N ATOM 1337 CA LEU A 117 -4.967 13.047 -13.502 1.00 0.00 C ATOM 1338 C LEU A 117 -5.356 14.442 -13.988 1.00 0.00 C ATOM 1339 O LEU A 117 -4.858 14.921 -15.007 1.00 0.00 O ATOM 1340 CB LEU A 117 -3.563 13.109 -12.888 1.00 0.00 C ATOM 1341 CG LEU A 117 -3.529 13.296 -11.360 1.00 0.00 C ATOM 1342 CD1 LEU A 117 -2.515 12.331 -10.737 1.00 0.00 C ATOM 1343 CD2 LEU A 117 -3.133 14.742 -11.015 1.00 0.00 C ATOM 0 H LEU A 117 -4.366 12.304 -15.377 1.00 0.00 H new ATOM 0 HA LEU A 117 -5.680 12.712 -12.749 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -3.032 12.190 -13.138 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -3.016 13.930 -13.352 1.00 0.00 H new ATOM 0 HG LEU A 117 -4.521 13.087 -10.960 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -2.497 12.470 -9.656 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -2.801 11.305 -10.966 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -1.524 12.531 -11.145 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -3.112 14.865 -9.932 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -2.146 14.956 -11.424 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -3.861 15.431 -11.444 1.00 0.00 H new ATOM 1355 N GLY A 118 -6.252 15.089 -13.246 1.00 0.00 N ATOM 1356 CA GLY A 118 -6.698 16.433 -13.611 1.00 0.00 C ATOM 1357 C GLY A 118 -6.809 17.327 -12.380 1.00 0.00 C ATOM 1358 O GLY A 118 -7.887 17.815 -12.046 1.00 0.00 O ATOM 0 H GLY A 118 -6.679 14.712 -12.400 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -5.997 16.872 -14.321 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -7.665 16.376 -14.111 1.00 0.00 H new ATOM 1362 N ASN A 119 -5.682 17.540 -11.709 1.00 0.00 N ATOM 1363 CA ASN A 119 -5.669 18.380 -10.512 1.00 0.00 C ATOM 1364 C ASN A 119 -5.676 19.861 -10.889 1.00 0.00 C ATOM 1365 O ASN A 119 -6.203 20.697 -10.156 1.00 0.00 O ATOM 1366 CB ASN A 119 -4.428 18.086 -9.665 1.00 0.00 C ATOM 1367 CG ASN A 119 -3.176 18.207 -10.527 1.00 0.00 C ATOM 1368 OD1 ASN A 119 -3.069 17.563 -11.571 1.00 0.00 O ATOM 1369 ND2 ASN A 119 -2.216 19.003 -10.153 1.00 0.00 N ATOM 0 H ASN A 119 -4.776 17.149 -11.967 1.00 0.00 H new ATOM 0 HA ASN A 119 -6.566 18.152 -9.936 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -4.374 18.783 -8.828 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -4.494 17.084 -9.242 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -1.376 19.093 -10.725 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -2.304 19.537 -9.288 1.00 0.00 H new ATOM 1376 N ALA A 120 -5.085 20.175 -12.047 1.00 0.00 N ATOM 1377 CA ALA A 120 -5.022 21.563 -12.536 1.00 0.00 C ATOM 1378 C ALA A 120 -3.986 22.404 -11.774 1.00 0.00 C ATOM 1379 O ALA A 120 -3.807 23.586 -12.068 1.00 0.00 O ATOM 1380 CB ALA A 120 -6.386 22.251 -12.418 1.00 0.00 C ATOM 0 H ALA A 120 -4.644 19.492 -12.663 1.00 0.00 H new ATOM 0 HA ALA A 120 -4.723 21.501 -13.582 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -6.310 23.274 -12.786 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -7.121 21.706 -13.010 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -6.698 22.263 -11.374 1.00 0.00 H new ATOM 1386 N ASP A 121 -3.305 21.799 -10.800 1.00 0.00 N ATOM 1387 CA ASP A 121 -2.302 22.523 -10.022 1.00 0.00 C ATOM 1388 C ASP A 121 -2.930 23.721 -9.308 1.00 0.00 C ATOM 1389 O ASP A 121 -2.261 24.715 -9.027 1.00 0.00 O ATOM 1390 CB ASP A 121 -1.173 23.012 -10.932 1.00 0.00 C ATOM 1391 CG ASP A 121 -0.021 23.537 -10.082 1.00 0.00 C ATOM 1392 OD1 ASP A 121 0.583 22.741 -9.383 1.00 0.00 O ATOM 1393 OD2 ASP A 121 0.238 24.727 -10.141 1.00 0.00 O ATOM 0 H ASP A 121 -3.428 20.822 -10.534 1.00 0.00 H new ATOM 0 HA ASP A 121 -1.897 21.838 -9.277 1.00 0.00 H new ATOM 0 HB2 ASP A 121 -0.827 22.198 -11.568 1.00 0.00 H new ATOM 0 HB3 ASP A 121 -1.539 23.799 -11.592 1.00 0.00 H new ATOM 1398 N LYS A 122 -4.226 23.613 -9.014 1.00 0.00 N ATOM 1399 CA LYS A 122 -4.941 24.690 -8.329 1.00 0.00 C ATOM 1400 C LYS A 122 -6.410 24.313 -8.141 1.00 0.00 C ATOM 1401 O LYS A 122 -7.306 25.146 -8.286 1.00 0.00 O ATOM 1402 CB LYS A 122 -4.853 25.994 -9.129 1.00 0.00 C ATOM 1403 CG LYS A 122 -5.378 25.763 -10.549 1.00 0.00 C ATOM 1404 CD LYS A 122 -4.580 26.617 -11.536 1.00 0.00 C ATOM 1405 CE LYS A 122 -5.066 28.066 -11.471 1.00 0.00 C ATOM 1406 NZ LYS A 122 -4.194 28.842 -10.545 1.00 0.00 N ATOM 0 H LYS A 122 -4.798 22.798 -9.237 1.00 0.00 H new ATOM 0 HA LYS A 122 -4.475 24.838 -7.355 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -5.435 26.774 -8.638 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -3.821 26.342 -9.164 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -5.292 24.709 -10.812 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -6.436 26.020 -10.603 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -3.517 26.568 -11.298 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -4.698 26.228 -12.547 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -5.046 28.512 -12.465 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -6.100 28.099 -11.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -4.762 29.196 -9.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -3.437 28.227 -10.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -3.774 29.645 -11.055 1.00 0.00 H new ATOM 1420 N GLY A 123 -6.647 23.045 -7.817 1.00 0.00 N ATOM 1421 CA GLY A 123 -8.010 22.563 -7.612 1.00 0.00 C ATOM 1422 C GLY A 123 -8.075 21.610 -6.424 1.00 0.00 C ATOM 1423 O GLY A 123 -7.946 22.022 -5.271 1.00 0.00 O ATOM 0 H GLY A 123 -5.922 22.339 -7.692 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -8.678 23.408 -7.443 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -8.360 22.055 -8.511 1.00 0.00 H new ATOM 1427 N SER A 124 -8.278 20.328 -6.718 1.00 0.00 N ATOM 1428 CA SER A 124 -8.361 19.321 -5.663 1.00 0.00 C ATOM 1429 C SER A 124 -8.194 17.918 -6.242 1.00 0.00 C ATOM 1430 O SER A 124 -8.819 16.963 -5.779 1.00 0.00 O ATOM 1431 CB SER A 124 -9.710 19.411 -4.947 1.00 0.00 C ATOM 1432 OG SER A 124 -9.541 19.056 -3.580 1.00 0.00 O ATOM 0 H SER A 124 -8.387 19.965 -7.665 1.00 0.00 H new ATOM 0 HA SER A 124 -7.558 19.513 -4.952 1.00 0.00 H new ATOM 0 HB2 SER A 124 -10.110 20.422 -5.025 1.00 0.00 H new ATOM 0 HB3 SER A 124 -10.431 18.745 -5.421 1.00 0.00 H new ATOM 0 HG SER A 124 -10.403 19.114 -3.118 1.00 0.00 H new ATOM 1438 N TYR A 125 -7.338 17.805 -7.257 1.00 0.00 N ATOM 1439 CA TYR A 125 -7.084 16.517 -7.897 1.00 0.00 C ATOM 1440 C TYR A 125 -8.349 15.963 -8.545 1.00 0.00 C ATOM 1441 O TYR A 125 -9.426 15.952 -7.950 1.00 0.00 O ATOM 1442 CB TYR A 125 -6.563 15.495 -6.884 1.00 0.00 C ATOM 1443 CG TYR A 125 -5.263 15.981 -6.291 1.00 0.00 C ATOM 1444 CD1 TYR A 125 -5.272 16.917 -5.249 1.00 0.00 C ATOM 1445 CD2 TYR A 125 -4.045 15.494 -6.781 1.00 0.00 C ATOM 1446 CE1 TYR A 125 -4.064 17.365 -4.700 1.00 0.00 C ATOM 1447 CE2 TYR A 125 -2.838 15.941 -6.232 1.00 0.00 C ATOM 1448 CZ TYR A 125 -2.847 16.877 -5.190 1.00 0.00 C ATOM 1449 OH TYR A 125 -1.657 17.318 -4.648 1.00 0.00 O ATOM 0 H TYR A 125 -6.812 18.585 -7.651 1.00 0.00 H new ATOM 0 HA TYR A 125 -6.330 16.687 -8.665 1.00 0.00 H new ATOM 0 HB2 TYR A 125 -7.299 15.344 -6.095 1.00 0.00 H new ATOM 0 HB3 TYR A 125 -6.414 14.531 -7.370 1.00 0.00 H new ATOM 0 HD1 TYR A 125 -6.210 17.293 -4.869 1.00 0.00 H new ATOM 0 HD2 TYR A 125 -4.037 14.772 -7.584 1.00 0.00 H new ATOM 0 HE1 TYR A 125 -4.071 18.088 -3.898 1.00 0.00 H new ATOM 0 HE2 TYR A 125 -1.900 15.564 -6.612 1.00 0.00 H new ATOM 0 HH TYR A 125 -0.908 16.879 -5.102 1.00 0.00 H new ATOM 1459 N THR A 126 -8.186 15.481 -9.767 1.00 0.00 N ATOM 1460 CA THR A 126 -9.293 14.893 -10.516 1.00 0.00 C ATOM 1461 C THR A 126 -8.813 13.602 -11.161 1.00 0.00 C ATOM 1462 O THR A 126 -7.608 13.366 -11.263 1.00 0.00 O ATOM 1463 CB THR A 126 -9.794 15.850 -11.602 1.00 0.00 C ATOM 1464 OG1 THR A 126 -10.038 17.127 -11.028 1.00 0.00 O ATOM 1465 CG2 THR A 126 -11.088 15.309 -12.209 1.00 0.00 C ATOM 0 H THR A 126 -7.296 15.484 -10.265 1.00 0.00 H new ATOM 0 HA THR A 126 -10.118 14.696 -9.831 1.00 0.00 H new ATOM 0 HB THR A 126 -9.039 15.938 -12.383 1.00 0.00 H new ATOM 0 HG1 THR A 126 -9.240 17.688 -11.126 1.00 0.00 H new ATOM 0 HG21 THR A 126 -11.441 15.992 -12.981 1.00 0.00 H new ATOM 0 HG22 THR A 126 -10.902 14.329 -12.649 1.00 0.00 H new ATOM 0 HG23 THR A 126 -11.845 15.219 -11.430 1.00 0.00 H new ATOM 1473 N TRP A 127 -9.748 12.753 -11.578 1.00 0.00 N ATOM 1474 CA TRP A 127 -9.357 11.484 -12.182 1.00 0.00 C ATOM 1475 C TRP A 127 -10.253 11.095 -13.351 1.00 0.00 C ATOM 1476 O TRP A 127 -11.456 11.354 -13.358 1.00 0.00 O ATOM 1477 CB TRP A 127 -9.408 10.370 -11.138 1.00 0.00 C ATOM 1478 CG TRP A 127 -8.235 10.502 -10.228 1.00 0.00 C ATOM 1479 CD1 TRP A 127 -8.237 11.164 -9.048 1.00 0.00 C ATOM 1480 CD2 TRP A 127 -6.891 9.978 -10.403 1.00 0.00 C ATOM 1481 NE1 TRP A 127 -6.975 11.078 -8.488 1.00 0.00 N ATOM 1482 CE2 TRP A 127 -6.111 10.357 -9.287 1.00 0.00 C ATOM 1483 CE3 TRP A 127 -6.278 9.216 -11.414 1.00 0.00 C ATOM 1484 CZ2 TRP A 127 -4.769 9.994 -9.178 1.00 0.00 C ATOM 1485 CZ3 TRP A 127 -4.928 8.849 -11.308 1.00 0.00 C ATOM 1486 CH2 TRP A 127 -4.176 9.239 -10.192 1.00 0.00 C ATOM 0 H TRP A 127 -10.753 12.913 -11.512 1.00 0.00 H new ATOM 0 HA TRP A 127 -8.342 11.615 -12.558 1.00 0.00 H new ATOM 0 HB2 TRP A 127 -10.335 10.431 -10.568 1.00 0.00 H new ATOM 0 HB3 TRP A 127 -9.397 9.396 -11.627 1.00 0.00 H new ATOM 0 HD1 TRP A 127 -9.084 11.675 -8.615 1.00 0.00 H new ATOM 0 HE1 TRP A 127 -6.715 11.496 -7.595 1.00 0.00 H new ATOM 0 HE3 TRP A 127 -6.850 8.911 -12.278 1.00 0.00 H new ATOM 0 HZ2 TRP A 127 -4.193 10.295 -8.316 1.00 0.00 H new ATOM 0 HZ3 TRP A 127 -4.467 8.264 -12.090 1.00 0.00 H new ATOM 0 HH2 TRP A 127 -3.137 8.955 -10.116 1.00 0.00 H new ATOM 1497 N ALA A 128 -9.634 10.434 -14.326 1.00 0.00 N ATOM 1498 CA ALA A 128 -10.344 9.952 -15.505 1.00 0.00 C ATOM 1499 C ALA A 128 -10.016 8.475 -15.691 1.00 0.00 C ATOM 1500 O ALA A 128 -8.879 8.112 -15.993 1.00 0.00 O ATOM 1501 CB ALA A 128 -9.924 10.730 -16.754 1.00 0.00 C ATOM 0 H ALA A 128 -8.637 10.220 -14.321 1.00 0.00 H new ATOM 0 HA ALA A 128 -11.415 10.095 -15.363 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -10.468 10.351 -17.619 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -10.151 11.787 -16.617 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -8.853 10.607 -16.916 1.00 0.00 H new ATOM 1507 N CYS A 129 -11.011 7.626 -15.474 1.00 0.00 N ATOM 1508 CA CYS A 129 -10.800 6.186 -15.584 1.00 0.00 C ATOM 1509 C CYS A 129 -10.799 5.726 -17.037 1.00 0.00 C ATOM 1510 O CYS A 129 -11.481 6.289 -17.893 1.00 0.00 O ATOM 1511 CB CYS A 129 -11.893 5.431 -14.831 1.00 0.00 C ATOM 1512 SG CYS A 129 -11.368 3.720 -14.556 1.00 0.00 S ATOM 0 H CYS A 129 -11.961 7.902 -15.224 1.00 0.00 H new ATOM 0 HA CYS A 129 -9.825 5.970 -15.147 1.00 0.00 H new ATOM 0 HB2 CYS A 129 -12.095 5.918 -13.877 1.00 0.00 H new ATOM 0 HB3 CYS A 129 -12.822 5.450 -15.401 1.00 0.00 H new ATOM 1517 N THR A 130 -10.019 4.680 -17.287 1.00 0.00 N ATOM 1518 CA THR A 130 -9.905 4.104 -18.622 1.00 0.00 C ATOM 1519 C THR A 130 -9.392 2.670 -18.500 1.00 0.00 C ATOM 1520 O THR A 130 -8.317 2.326 -18.997 1.00 0.00 O ATOM 1521 CB THR A 130 -8.941 4.926 -19.483 1.00 0.00 C ATOM 1522 OG1 THR A 130 -9.362 6.283 -19.495 1.00 0.00 O ATOM 1523 CG2 THR A 130 -8.932 4.380 -20.912 1.00 0.00 C ATOM 0 H THR A 130 -9.454 4.212 -16.579 1.00 0.00 H new ATOM 0 HA THR A 130 -10.884 4.112 -19.100 1.00 0.00 H new ATOM 0 HB THR A 130 -7.936 4.859 -19.067 1.00 0.00 H new ATOM 0 HG1 THR A 130 -10.310 6.333 -19.253 1.00 0.00 H new ATOM 0 HG21 THR A 130 -8.245 4.967 -21.522 1.00 0.00 H new ATOM 0 HG22 THR A 130 -8.609 3.339 -20.902 1.00 0.00 H new ATOM 0 HG23 THR A 130 -9.936 4.444 -21.332 1.00 0.00 H new ATOM 1531 N SER A 131 -10.170 1.843 -17.809 1.00 0.00 N ATOM 1532 CA SER A 131 -9.789 0.451 -17.593 1.00 0.00 C ATOM 1533 C SER A 131 -10.084 -0.395 -18.822 1.00 0.00 C ATOM 1534 O SER A 131 -10.994 -0.107 -19.600 1.00 0.00 O ATOM 1535 CB SER A 131 -10.548 -0.134 -16.401 1.00 0.00 C ATOM 1536 OG SER A 131 -10.353 -1.543 -16.360 1.00 0.00 O ATOM 0 H SER A 131 -11.062 2.109 -17.392 1.00 0.00 H new ATOM 0 HA SER A 131 -8.717 0.434 -17.394 1.00 0.00 H new ATOM 0 HB2 SER A 131 -10.197 0.320 -15.474 1.00 0.00 H new ATOM 0 HB3 SER A 131 -11.610 0.095 -16.485 1.00 0.00 H new ATOM 0 HG SER A 131 -10.838 -1.918 -15.595 1.00 0.00 H new ATOM 1542 N ASN A 132 -9.301 -1.456 -18.973 1.00 0.00 N ATOM 1543 CA ASN A 132 -9.469 -2.372 -20.091 1.00 0.00 C ATOM 1544 C ASN A 132 -9.317 -3.808 -19.598 1.00 0.00 C ATOM 1545 O ASN A 132 -8.471 -4.569 -20.076 1.00 0.00 O ATOM 1546 CB ASN A 132 -8.433 -2.089 -21.182 1.00 0.00 C ATOM 1547 CG ASN A 132 -8.979 -2.546 -22.530 1.00 0.00 C ATOM 1548 OD1 ASN A 132 -10.047 -2.106 -22.956 1.00 0.00 O ATOM 1549 ND2 ASN A 132 -8.303 -3.413 -23.234 1.00 0.00 N ATOM 0 H ASN A 132 -8.544 -1.702 -18.335 1.00 0.00 H new ATOM 0 HA ASN A 132 -10.464 -2.231 -20.514 1.00 0.00 H new ATOM 0 HB2 ASN A 132 -8.203 -1.024 -21.213 1.00 0.00 H new ATOM 0 HB3 ASN A 132 -7.502 -2.610 -20.959 1.00 0.00 H new ATOM 0 HD21 ASN A 132 -8.660 -3.726 -24.137 1.00 0.00 H new ATOM 0 HD22 ASN A 132 -7.418 -3.778 -22.881 1.00 0.00 H new ATOM 1556 N ALA A 133 -10.143 -4.162 -18.617 1.00 0.00 N ATOM 1557 CA ALA A 133 -10.101 -5.504 -18.046 1.00 0.00 C ATOM 1558 C ALA A 133 -11.511 -6.070 -17.901 1.00 0.00 C ATOM 1559 O ALA A 133 -12.099 -6.045 -16.819 1.00 0.00 O ATOM 1560 CB ALA A 133 -9.424 -5.483 -16.674 1.00 0.00 C ATOM 0 H ALA A 133 -10.843 -3.545 -18.205 1.00 0.00 H new ATOM 0 HA ALA A 133 -9.527 -6.138 -18.722 1.00 0.00 H new ATOM 0 HB1 ALA A 133 -9.402 -6.493 -16.264 1.00 0.00 H new ATOM 0 HB2 ALA A 133 -8.405 -5.111 -16.777 1.00 0.00 H new ATOM 0 HB3 ALA A 133 -9.982 -4.831 -16.003 1.00 0.00 H new ATOM 1566 N ASP A 134 -12.047 -6.581 -19.007 1.00 0.00 N ATOM 1567 CA ASP A 134 -13.392 -7.156 -19.001 1.00 0.00 C ATOM 1568 C ASP A 134 -14.421 -6.111 -18.580 1.00 0.00 C ATOM 1569 O ASP A 134 -14.705 -5.940 -17.395 1.00 0.00 O ATOM 1570 CB ASP A 134 -13.463 -8.342 -18.037 1.00 0.00 C ATOM 1571 CG ASP A 134 -14.687 -9.190 -18.363 1.00 0.00 C ATOM 1572 OD1 ASP A 134 -15.731 -8.614 -18.622 1.00 0.00 O ATOM 1573 OD2 ASP A 134 -14.563 -10.404 -18.349 1.00 0.00 O ATOM 0 H ASP A 134 -11.577 -6.609 -19.912 1.00 0.00 H new ATOM 0 HA ASP A 134 -13.615 -7.496 -20.012 1.00 0.00 H new ATOM 0 HB2 ASP A 134 -12.558 -8.944 -18.118 1.00 0.00 H new ATOM 0 HB3 ASP A 134 -13.518 -7.985 -17.008 1.00 0.00 H new ATOM 1704 N CYS A 142 -15.382 3.967 -15.618 1.00 0.00 N ATOM 1705 CA CYS A 142 -14.329 3.302 -16.381 1.00 0.00 C ATOM 1706 C CYS A 142 -14.887 2.768 -17.696 1.00 0.00 C ATOM 1707 O CYS A 142 -15.599 1.764 -17.722 1.00 0.00 O ATOM 1708 CB CYS A 142 -13.736 2.141 -15.582 1.00 0.00 C ATOM 1709 SG CYS A 142 -13.064 2.763 -14.021 1.00 0.00 S ATOM 0 HA CYS A 142 -13.547 4.034 -16.585 1.00 0.00 H new ATOM 0 HB2 CYS A 142 -14.502 1.391 -15.387 1.00 0.00 H new ATOM 0 HB3 CYS A 142 -12.951 1.652 -16.159 1.00 0.00 H new ATOM 1714 N GLN A 143 -14.556 3.450 -18.787 1.00 0.00 N ATOM 1715 CA GLN A 143 -15.030 3.038 -20.106 1.00 0.00 C ATOM 1716 C GLN A 143 -14.046 2.070 -20.742 1.00 0.00 C ATOM 1717 O GLN A 143 -12.881 1.987 -20.355 1.00 0.00 O ATOM 1718 CB GLN A 143 -15.208 4.258 -21.017 1.00 0.00 C ATOM 1719 CG GLN A 143 -15.866 3.879 -22.352 1.00 0.00 C ATOM 1720 CD GLN A 143 -17.224 3.227 -22.101 1.00 0.00 C ATOM 1721 OE1 GLN A 143 -17.429 2.059 -22.431 1.00 0.00 O ATOM 1722 NE2 GLN A 143 -18.171 3.920 -21.530 1.00 0.00 N ATOM 0 H GLN A 143 -13.967 4.283 -18.787 1.00 0.00 H new ATOM 0 HA GLN A 143 -15.993 2.542 -19.982 1.00 0.00 H new ATOM 0 HB2 GLN A 143 -15.818 5.005 -20.510 1.00 0.00 H new ATOM 0 HB3 GLN A 143 -14.237 4.715 -21.207 1.00 0.00 H new ATOM 0 HG2 GLN A 143 -15.989 4.768 -22.971 1.00 0.00 H new ATOM 0 HG3 GLN A 143 -15.221 3.194 -22.903 1.00 0.00 H new ATOM 0 HE21 GLN A 143 -18.001 4.888 -21.257 1.00 0.00 H new ATOM 0 HE22 GLN A 143 -19.081 3.494 -21.357 1.00 0.00 H new ATOM 1731 N THR A 144 -14.542 1.342 -21.724 1.00 0.00 N ATOM 1732 CA THR A 144 -13.723 0.365 -22.437 1.00 0.00 C ATOM 1733 C THR A 144 -12.585 1.061 -23.176 1.00 0.00 C ATOM 1734 O THR A 144 -12.760 1.560 -24.288 1.00 0.00 O ATOM 1735 CB THR A 144 -14.575 -0.413 -23.447 1.00 0.00 C ATOM 1736 OG1 THR A 144 -13.732 -1.237 -24.241 1.00 0.00 O ATOM 1737 CG2 THR A 144 -15.340 0.563 -24.347 1.00 0.00 C ATOM 0 H THR A 144 -15.506 1.404 -22.050 1.00 0.00 H new ATOM 0 HA THR A 144 -13.309 -0.327 -21.704 1.00 0.00 H new ATOM 0 HB THR A 144 -15.291 -1.035 -22.910 1.00 0.00 H new ATOM 0 HG1 THR A 144 -14.276 -1.736 -24.886 1.00 0.00 H new ATOM 0 HG21 THR A 144 -15.943 0.003 -25.062 1.00 0.00 H new ATOM 0 HG22 THR A 144 -15.990 1.188 -23.735 1.00 0.00 H new ATOM 0 HG23 THR A 144 -14.632 1.193 -24.885 1.00 0.00 H new ATOM 1745 N ALA A 145 -11.416 1.090 -22.543 1.00 0.00 N ATOM 1746 CA ALA A 145 -10.248 1.729 -23.146 1.00 0.00 C ATOM 1747 C ALA A 145 -9.873 1.035 -24.452 1.00 0.00 C ATOM 1748 O ALA A 145 -9.741 -0.187 -24.508 1.00 0.00 O ATOM 1749 CB ALA A 145 -9.055 1.670 -22.192 1.00 0.00 C ATOM 0 H ALA A 145 -11.251 0.683 -21.622 1.00 0.00 H new ATOM 0 HA ALA A 145 -10.502 2.770 -23.348 1.00 0.00 H new ATOM 0 HB1 ALA A 145 -8.194 2.150 -22.656 1.00 0.00 H new ATOM 0 HB2 ALA A 145 -9.304 2.188 -21.266 1.00 0.00 H new ATOM 0 HB3 ALA A 145 -8.816 0.629 -21.973 1.00 0.00 H new