USER MOD reduce.3.24.130724 H: found=0, std=0, add=620, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 614 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 61 CYS SG : rot -165:sc= 0.229 USER MOD Set 1.2: A 63 HIS : no HD1:sc= -1.46 K(o=-1.3,f=-0.53) USER MOD Set 1.3: A 85 CYS SG : rot 47:sc= 0.303 USER MOD Set 1.4: A 88 CYS SG : rot -58:sc= 2.31 USER MOD Set 1.5: A 90 THR OG1 : rot 92:sc= 1.38 USER MOD Set 1.6: A 92 TYR OH : rot -46:sc= -4.09! USER MOD Set 2.1: A 28 CYS SG : rot 120:sc= 0.652 USER MOD Set 2.2: A 31 CYS SG : rot -54:sc= -0.276 USER MOD Set 2.3: A 39 SER OG : rot 84:sc= 0.0257 USER MOD Set 2.4: A 66 HIS : no HE2:sc= -4.2! C(o=-4.1!,f=-10!) USER MOD Set 2.5: A 69 CYS SG : rot 180:sc= -0.253 USER MOD Single : A 11 GLN : amide:sc= -0.0506 K(o=-0.051,f=-1.2) USER MOD Single : A 15 LYS NZ :NH3+ -176:sc= -0.0725 (180deg=-0.093) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot -71:sc= -1.74! USER MOD Single : A 21 LYS NZ :NH3+ -157:sc= -0.0868 (180deg=-0.487) USER MOD Single : A 32 MET CE :methyl 148:sc= -0.432 (180deg=-1.81!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 99:sc= -0.884 USER MOD Single : A 44 MET CE :methyl -168:sc= 0 (180deg=-0.0782) USER MOD Single : A 45 THR OG1 : rot -75:sc= -1.36! USER MOD Single : A 47 SER OG : rot 180:sc=-0.00778 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl -139:sc= -0.469 (180deg=-1.38) USER MOD Single : A 59 THR OG1 : rot -71:sc= 0.115 USER MOD Single : A 60 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0284) USER MOD Single : A 62 SER OG : rot 2:sc= 0.427 USER MOD Single : A 73 MET CE :methyl 134:sc= -0.618 (180deg=-2.59!) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 CYS SG : rot 81:sc= 0.0765 USER MOD Single : A 82 SER OG : rot -10:sc= 0.986 USER MOD Single : A 84 GLN : amide:sc= -0.0253 K(o=-0.025,f=-1.7!) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ -128:sc=-0.00526 (180deg=-0.638) USER MOD ----------------------------------------------------------------- ATOM 66 N GLU A 8 -2.825 8.667 -0.852 1.00 0.00 N ATOM 67 CA GLU A 8 -1.838 7.916 -1.619 1.00 0.00 C ATOM 68 C GLU A 8 -2.242 6.449 -1.738 1.00 0.00 C ATOM 69 O GLU A 8 -2.951 5.904 -0.892 1.00 0.00 O ATOM 70 CB GLU A 8 -0.460 8.025 -0.962 1.00 0.00 C ATOM 71 CG GLU A 8 0.069 9.448 -0.891 1.00 0.00 C ATOM 72 CD GLU A 8 -0.653 10.288 0.144 1.00 0.00 C ATOM 73 OE1 GLU A 8 -1.189 9.707 1.111 1.00 0.00 O ATOM 74 OE2 GLU A 8 -0.681 11.526 -0.013 1.00 0.00 O ATOM 0 HA GLU A 8 -1.791 8.344 -2.620 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -0.514 7.616 0.047 1.00 0.00 H new ATOM 0 HB3 GLU A 8 0.248 7.410 -1.518 1.00 0.00 H new ATOM 0 HG2 GLU A 8 1.133 9.425 -0.656 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -0.031 9.918 -1.869 1.00 0.00 H new ATOM 81 N PRO A 9 -1.780 5.794 -2.813 1.00 0.00 N ATOM 82 CA PRO A 9 -2.080 4.382 -3.069 1.00 0.00 C ATOM 83 C PRO A 9 -1.382 3.453 -2.082 1.00 0.00 C ATOM 84 O PRO A 9 -1.975 2.489 -1.598 1.00 0.00 O ATOM 85 CB PRO A 9 -1.545 4.157 -4.485 1.00 0.00 C ATOM 86 CG PRO A 9 -0.481 5.186 -4.656 1.00 0.00 C ATOM 87 CD PRO A 9 -0.930 6.381 -3.862 1.00 0.00 C ATOM 0 HA PRO A 9 -3.143 4.165 -2.961 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -1.144 3.150 -4.601 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -2.333 4.275 -5.229 1.00 0.00 H new ATOM 0 HG2 PRO A 9 0.480 4.817 -4.297 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -0.351 5.442 -5.707 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -0.084 6.922 -3.438 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -1.484 7.088 -4.479 1.00 0.00 H new ATOM 95 N GLU A 10 -0.120 3.750 -1.788 1.00 0.00 N ATOM 96 CA GLU A 10 0.657 2.939 -0.858 1.00 0.00 C ATOM 97 C GLU A 10 -0.184 2.540 0.351 1.00 0.00 C ATOM 98 O GLU A 10 -0.123 1.401 0.813 1.00 0.00 O ATOM 99 CB GLU A 10 1.901 3.703 -0.398 1.00 0.00 C ATOM 100 CG GLU A 10 2.993 2.807 0.162 1.00 0.00 C ATOM 101 CD GLU A 10 3.824 3.496 1.226 1.00 0.00 C ATOM 102 OE1 GLU A 10 3.989 4.731 1.145 1.00 0.00 O ATOM 103 OE2 GLU A 10 4.311 2.800 2.142 1.00 0.00 O ATOM 0 H GLU A 10 0.385 4.545 -2.180 1.00 0.00 H new ATOM 0 HA GLU A 10 0.967 2.032 -1.378 1.00 0.00 H new ATOM 0 HB2 GLU A 10 2.302 4.268 -1.240 1.00 0.00 H new ATOM 0 HB3 GLU A 10 1.611 4.428 0.363 1.00 0.00 H new ATOM 0 HG2 GLU A 10 2.541 1.910 0.584 1.00 0.00 H new ATOM 0 HG3 GLU A 10 3.645 2.484 -0.650 1.00 0.00 H new ATOM 110 N GLN A 11 -0.967 3.487 0.858 1.00 0.00 N ATOM 111 CA GLN A 11 -1.820 3.235 2.014 1.00 0.00 C ATOM 112 C GLN A 11 -2.896 2.206 1.683 1.00 0.00 C ATOM 113 O GLN A 11 -3.063 1.215 2.394 1.00 0.00 O ATOM 114 CB GLN A 11 -2.469 4.535 2.489 1.00 0.00 C ATOM 115 CG GLN A 11 -1.471 5.566 2.992 1.00 0.00 C ATOM 116 CD GLN A 11 -2.084 6.537 3.982 1.00 0.00 C ATOM 117 OE1 GLN A 11 -3.301 6.564 4.171 1.00 0.00 O ATOM 118 NE2 GLN A 11 -1.243 7.342 4.620 1.00 0.00 N ATOM 0 H GLN A 11 -1.028 4.435 0.487 1.00 0.00 H new ATOM 0 HA GLN A 11 -1.196 2.836 2.814 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -3.042 4.966 1.668 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -3.177 4.308 3.286 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -0.632 5.054 3.463 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -1.070 6.122 2.144 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -0.242 7.286 4.433 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -1.598 8.017 5.298 1.00 0.00 H new ATOM 127 N VAL A 12 -3.625 2.448 0.598 1.00 0.00 N ATOM 128 CA VAL A 12 -4.685 1.543 0.171 1.00 0.00 C ATOM 129 C VAL A 12 -4.188 0.103 0.115 1.00 0.00 C ATOM 130 O VAL A 12 -4.911 -0.828 0.472 1.00 0.00 O ATOM 131 CB VAL A 12 -5.239 1.938 -1.211 1.00 0.00 C ATOM 132 CG1 VAL A 12 -6.333 0.975 -1.643 1.00 0.00 C ATOM 133 CG2 VAL A 12 -5.755 3.369 -1.188 1.00 0.00 C ATOM 0 H VAL A 12 -3.501 3.264 -0.001 1.00 0.00 H new ATOM 0 HA VAL A 12 -5.483 1.621 0.909 1.00 0.00 H new ATOM 0 HB VAL A 12 -4.429 1.879 -1.938 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -6.712 1.270 -2.621 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -5.927 -0.035 -1.701 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -7.146 0.998 -0.917 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -6.143 3.632 -2.172 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -6.551 3.457 -0.449 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -4.941 4.045 -0.926 1.00 0.00 H new ATOM 143 N ILE A 13 -2.951 -0.073 -0.336 1.00 0.00 N ATOM 144 CA ILE A 13 -2.356 -1.400 -0.438 1.00 0.00 C ATOM 145 C ILE A 13 -2.251 -2.062 0.932 1.00 0.00 C ATOM 146 O ILE A 13 -2.835 -3.120 1.168 1.00 0.00 O ATOM 147 CB ILE A 13 -0.956 -1.343 -1.076 1.00 0.00 C ATOM 148 CG1 ILE A 13 -1.035 -0.726 -2.475 1.00 0.00 C ATOM 149 CG2 ILE A 13 -0.345 -2.734 -1.139 1.00 0.00 C ATOM 150 CD1 ILE A 13 -1.803 -1.572 -3.466 1.00 0.00 C ATOM 0 H ILE A 13 -2.341 0.687 -0.637 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.013 -1.991 -1.076 1.00 0.00 H new ATOM 0 HB ILE A 13 -0.316 -0.715 -0.457 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -1.506 0.254 -2.405 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -0.024 -0.568 -2.851 1.00 0.00 H new ATOM 0 HG21 ILE A 13 0.644 -2.677 -1.593 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -0.259 -3.140 -0.131 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -0.982 -3.384 -1.739 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -1.818 -1.073 -4.435 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -1.320 -2.544 -3.566 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -2.825 -1.709 -3.112 1.00 0.00 H new ATOM 162 N ARG A 14 -1.505 -1.430 1.832 1.00 0.00 N ATOM 163 CA ARG A 14 -1.323 -1.957 3.180 1.00 0.00 C ATOM 164 C ARG A 14 -2.665 -2.107 3.890 1.00 0.00 C ATOM 165 O ARG A 14 -2.879 -3.057 4.644 1.00 0.00 O ATOM 166 CB ARG A 14 -0.405 -1.040 3.989 1.00 0.00 C ATOM 167 CG ARG A 14 1.064 -1.172 3.623 1.00 0.00 C ATOM 168 CD ARG A 14 1.756 -2.231 4.466 1.00 0.00 C ATOM 169 NE ARG A 14 1.676 -1.932 5.894 1.00 0.00 N ATOM 170 CZ ARG A 14 0.731 -2.413 6.694 1.00 0.00 C ATOM 171 NH1 ARG A 14 -0.209 -3.213 6.209 1.00 0.00 N ATOM 172 NH2 ARG A 14 0.726 -2.096 7.982 1.00 0.00 N ATOM 0 H ARG A 14 -1.017 -0.553 1.653 1.00 0.00 H new ATOM 0 HA ARG A 14 -0.862 -2.941 3.100 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -0.716 -0.006 3.841 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -0.528 -1.261 5.049 1.00 0.00 H new ATOM 0 HG2 ARG A 14 1.155 -1.429 2.568 1.00 0.00 H new ATOM 0 HG3 ARG A 14 1.562 -0.212 3.762 1.00 0.00 H new ATOM 0 HD2 ARG A 14 1.301 -3.202 4.273 1.00 0.00 H new ATOM 0 HD3 ARG A 14 2.802 -2.304 4.169 1.00 0.00 H new ATOM 0 HE ARG A 14 2.385 -1.320 6.299 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -0.207 -3.460 5.219 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -0.933 -3.581 6.826 1.00 0.00 H new ATOM 0 HH21 ARG A 14 1.448 -1.482 8.359 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -0.000 -2.466 8.595 1.00 0.00 H new ATOM 186 N LYS A 15 -3.567 -1.162 3.645 1.00 0.00 N ATOM 187 CA LYS A 15 -4.889 -1.187 4.260 1.00 0.00 C ATOM 188 C LYS A 15 -5.570 -2.533 4.031 1.00 0.00 C ATOM 189 O LYS A 15 -6.361 -2.988 4.857 1.00 0.00 O ATOM 190 CB LYS A 15 -5.758 -0.062 3.695 1.00 0.00 C ATOM 191 CG LYS A 15 -7.212 -0.141 4.128 1.00 0.00 C ATOM 192 CD LYS A 15 -8.142 0.414 3.062 1.00 0.00 C ATOM 193 CE LYS A 15 -8.340 1.914 3.221 1.00 0.00 C ATOM 194 NZ LYS A 15 -7.293 2.691 2.502 1.00 0.00 N ATOM 0 H LYS A 15 -3.406 -0.369 3.024 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.766 -1.039 5.333 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.346 0.897 4.009 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -5.710 -0.089 2.606 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -7.475 -1.178 4.337 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -7.347 0.415 5.056 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -7.732 0.203 2.074 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -9.107 -0.090 3.121 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -9.323 2.193 2.842 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -8.321 2.173 4.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -7.423 3.706 2.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -6.352 2.395 2.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -7.371 2.516 1.480 1.00 0.00 H new ATOM 208 N TYR A 16 -5.256 -3.166 2.906 1.00 0.00 N ATOM 209 CA TYR A 16 -5.838 -4.459 2.568 1.00 0.00 C ATOM 210 C TYR A 16 -4.821 -5.581 2.759 1.00 0.00 C ATOM 211 O TYR A 16 -5.185 -6.730 3.013 1.00 0.00 O ATOM 212 CB TYR A 16 -6.343 -4.454 1.124 1.00 0.00 C ATOM 213 CG TYR A 16 -7.387 -3.395 0.852 1.00 0.00 C ATOM 214 CD1 TYR A 16 -8.474 -3.229 1.701 1.00 0.00 C ATOM 215 CD2 TYR A 16 -7.286 -2.559 -0.254 1.00 0.00 C ATOM 216 CE1 TYR A 16 -9.431 -2.263 1.456 1.00 0.00 C ATOM 217 CE2 TYR A 16 -8.237 -1.590 -0.506 1.00 0.00 C ATOM 218 CZ TYR A 16 -9.308 -1.446 0.351 1.00 0.00 C ATOM 219 OH TYR A 16 -10.258 -0.482 0.104 1.00 0.00 O ATOM 0 H TYR A 16 -4.601 -2.804 2.213 1.00 0.00 H new ATOM 0 HA TYR A 16 -6.679 -4.636 3.239 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -5.498 -4.300 0.453 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -6.761 -5.433 0.891 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -8.573 -3.866 2.568 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -6.449 -2.669 -0.928 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -10.271 -2.148 2.126 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -8.143 -0.948 -1.370 1.00 0.00 H new ATOM 0 HH TYR A 16 -10.023 0.008 -0.712 1.00 0.00 H new ATOM 229 N THR A 17 -3.542 -5.239 2.636 1.00 0.00 N ATOM 230 CA THR A 17 -2.472 -6.215 2.794 1.00 0.00 C ATOM 231 C THR A 17 -1.691 -5.972 4.080 1.00 0.00 C ATOM 232 O THR A 17 -1.216 -4.864 4.328 1.00 0.00 O ATOM 233 CB THR A 17 -1.497 -6.178 1.601 1.00 0.00 C ATOM 234 OG1 THR A 17 -0.834 -4.910 1.549 1.00 0.00 O ATOM 235 CG2 THR A 17 -2.234 -6.425 0.293 1.00 0.00 C ATOM 0 H THR A 17 -3.223 -4.293 2.427 1.00 0.00 H new ATOM 0 HA THR A 17 -2.944 -7.196 2.839 1.00 0.00 H new ATOM 0 HB THR A 17 -0.758 -6.968 1.739 1.00 0.00 H new ATOM 0 HG1 THR A 17 -1.470 -4.219 1.269 1.00 0.00 H new ATOM 0 HG21 THR A 17 -1.526 -6.394 -0.535 1.00 0.00 H new ATOM 0 HG22 THR A 17 -2.713 -7.403 0.325 1.00 0.00 H new ATOM 0 HG23 THR A 17 -2.992 -5.654 0.151 1.00 0.00 H new ATOM 243 N GLU A 18 -1.563 -7.014 4.895 1.00 0.00 N ATOM 244 CA GLU A 18 -0.840 -6.912 6.157 1.00 0.00 C ATOM 245 C GLU A 18 0.557 -7.515 6.034 1.00 0.00 C ATOM 246 O GLU A 18 0.709 -8.726 5.884 1.00 0.00 O ATOM 247 CB GLU A 18 -1.615 -7.616 7.273 1.00 0.00 C ATOM 248 CG GLU A 18 -1.209 -7.173 8.669 1.00 0.00 C ATOM 249 CD GLU A 18 -1.999 -7.875 9.757 1.00 0.00 C ATOM 250 OE1 GLU A 18 -1.596 -8.987 10.157 1.00 0.00 O ATOM 251 OE2 GLU A 18 -3.019 -7.313 10.206 1.00 0.00 O ATOM 0 H GLU A 18 -1.950 -7.938 4.704 1.00 0.00 H new ATOM 0 HA GLU A 18 -0.740 -5.855 6.405 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -2.680 -7.430 7.137 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.466 -8.692 7.185 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.146 -7.368 8.813 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.350 -6.096 8.760 1.00 0.00 H new ATOM 258 N GLU A 19 1.572 -6.659 6.099 1.00 0.00 N ATOM 259 CA GLU A 19 2.955 -7.107 5.994 1.00 0.00 C ATOM 260 C GLU A 19 3.232 -8.253 6.963 1.00 0.00 C ATOM 261 O GLU A 19 2.861 -8.192 8.136 1.00 0.00 O ATOM 262 CB GLU A 19 3.913 -5.947 6.272 1.00 0.00 C ATOM 263 CG GLU A 19 5.332 -6.199 5.789 1.00 0.00 C ATOM 264 CD GLU A 19 6.293 -5.103 6.206 1.00 0.00 C ATOM 265 OE1 GLU A 19 6.580 -4.995 7.417 1.00 0.00 O ATOM 266 OE2 GLU A 19 6.759 -4.354 5.323 1.00 0.00 O ATOM 0 H GLU A 19 1.462 -5.653 6.224 1.00 0.00 H new ATOM 0 HA GLU A 19 3.116 -7.467 4.978 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.529 -5.047 5.791 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.933 -5.752 7.344 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.682 -7.153 6.183 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.332 -6.283 4.702 1.00 0.00 H new ATOM 273 N LEU A 20 3.885 -9.297 6.464 1.00 0.00 N ATOM 274 CA LEU A 20 4.211 -10.458 7.285 1.00 0.00 C ATOM 275 C LEU A 20 5.679 -10.437 7.699 1.00 0.00 C ATOM 276 O LEU A 20 6.554 -10.085 6.908 1.00 0.00 O ATOM 277 CB LEU A 20 3.903 -11.748 6.523 1.00 0.00 C ATOM 278 CG LEU A 20 2.519 -11.833 5.879 1.00 0.00 C ATOM 279 CD1 LEU A 20 2.342 -13.166 5.168 1.00 0.00 C ATOM 280 CD2 LEU A 20 1.431 -11.636 6.924 1.00 0.00 C ATOM 0 H LEU A 20 4.199 -9.363 5.496 1.00 0.00 H new ATOM 0 HA LEU A 20 3.598 -10.419 8.185 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.653 -11.873 5.742 1.00 0.00 H new ATOM 0 HB3 LEU A 20 4.014 -12.587 7.210 1.00 0.00 H new ATOM 0 HG LEU A 20 2.434 -11.036 5.140 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.351 -13.208 4.716 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.100 -13.268 4.391 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.448 -13.979 5.887 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.453 -11.700 6.447 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.514 -12.411 7.686 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.545 -10.656 7.388 1.00 0.00 H new ATOM 292 N LYS A 21 5.942 -10.818 8.945 1.00 0.00 N ATOM 293 CA LYS A 21 7.304 -10.846 9.465 1.00 0.00 C ATOM 294 C LYS A 21 8.266 -11.438 8.439 1.00 0.00 C ATOM 295 O LYS A 21 9.418 -11.016 8.338 1.00 0.00 O ATOM 296 CB LYS A 21 7.360 -11.659 10.760 1.00 0.00 C ATOM 297 CG LYS A 21 6.763 -13.049 10.633 1.00 0.00 C ATOM 298 CD LYS A 21 6.159 -13.520 11.945 1.00 0.00 C ATOM 299 CE LYS A 21 5.070 -14.557 11.717 1.00 0.00 C ATOM 300 NZ LYS A 21 3.891 -13.978 11.016 1.00 0.00 N ATOM 0 H LYS A 21 5.230 -11.112 9.613 1.00 0.00 H new ATOM 0 HA LYS A 21 7.608 -9.820 9.673 1.00 0.00 H new ATOM 0 HB2 LYS A 21 8.399 -11.747 11.079 1.00 0.00 H new ATOM 0 HB3 LYS A 21 6.831 -11.116 11.543 1.00 0.00 H new ATOM 0 HG2 LYS A 21 5.996 -13.047 9.859 1.00 0.00 H new ATOM 0 HG3 LYS A 21 7.535 -13.750 10.315 1.00 0.00 H new ATOM 0 HD2 LYS A 21 6.941 -13.944 12.575 1.00 0.00 H new ATOM 0 HD3 LYS A 21 5.744 -12.667 12.483 1.00 0.00 H new ATOM 0 HE2 LYS A 21 5.472 -15.383 11.130 1.00 0.00 H new ATOM 0 HE3 LYS A 21 4.756 -14.970 12.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 3.050 -14.557 11.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 3.730 -13.007 11.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 4.068 -13.966 9.991 1.00 0.00 H new ATOM 314 N VAL A 22 7.785 -12.417 7.680 1.00 0.00 N ATOM 315 CA VAL A 22 8.601 -13.065 6.660 1.00 0.00 C ATOM 316 C VAL A 22 7.738 -13.601 5.524 1.00 0.00 C ATOM 317 O VAL A 22 6.700 -14.220 5.758 1.00 0.00 O ATOM 318 CB VAL A 22 9.427 -14.222 7.253 1.00 0.00 C ATOM 319 CG1 VAL A 22 8.511 -15.283 7.843 1.00 0.00 C ATOM 320 CG2 VAL A 22 10.340 -14.822 6.195 1.00 0.00 C ATOM 0 H VAL A 22 6.834 -12.779 7.752 1.00 0.00 H new ATOM 0 HA VAL A 22 9.280 -12.307 6.270 1.00 0.00 H new ATOM 0 HB VAL A 22 10.050 -13.827 8.055 1.00 0.00 H new ATOM 0 HG11 VAL A 22 9.112 -16.093 8.257 1.00 0.00 H new ATOM 0 HG12 VAL A 22 7.904 -14.841 8.633 1.00 0.00 H new ATOM 0 HG13 VAL A 22 7.860 -15.677 7.062 1.00 0.00 H new ATOM 0 HG21 VAL A 22 10.916 -15.638 6.632 1.00 0.00 H new ATOM 0 HG22 VAL A 22 9.739 -15.203 5.370 1.00 0.00 H new ATOM 0 HG23 VAL A 22 11.020 -14.055 5.824 1.00 0.00 H new ATOM 330 N ALA A 23 8.174 -13.360 4.292 1.00 0.00 N ATOM 331 CA ALA A 23 7.443 -13.822 3.119 1.00 0.00 C ATOM 332 C ALA A 23 6.961 -15.257 3.301 1.00 0.00 C ATOM 333 O ALA A 23 7.738 -16.166 3.594 1.00 0.00 O ATOM 334 CB ALA A 23 8.313 -13.710 1.876 1.00 0.00 C ATOM 0 H ALA A 23 9.030 -12.847 4.081 1.00 0.00 H new ATOM 0 HA ALA A 23 6.567 -13.185 2.995 1.00 0.00 H new ATOM 0 HB1 ALA A 23 7.754 -14.059 1.008 1.00 0.00 H new ATOM 0 HB2 ALA A 23 8.603 -12.670 1.727 1.00 0.00 H new ATOM 0 HB3 ALA A 23 9.207 -14.321 2.001 1.00 0.00 H new ATOM 340 N PRO A 24 5.648 -15.468 3.126 1.00 0.00 N ATOM 341 CA PRO A 24 5.033 -16.791 3.267 1.00 0.00 C ATOM 342 C PRO A 24 5.435 -17.740 2.143 1.00 0.00 C ATOM 343 O PRO A 24 6.132 -17.348 1.208 1.00 0.00 O ATOM 344 CB PRO A 24 3.533 -16.494 3.204 1.00 0.00 C ATOM 345 CG PRO A 24 3.431 -15.223 2.433 1.00 0.00 C ATOM 346 CD PRO A 24 4.663 -14.431 2.775 1.00 0.00 C ATOM 0 HA PRO A 24 5.345 -17.289 4.185 1.00 0.00 H new ATOM 0 HB2 PRO A 24 2.990 -17.301 2.711 1.00 0.00 H new ATOM 0 HB3 PRO A 24 3.108 -16.387 4.202 1.00 0.00 H new ATOM 0 HG2 PRO A 24 3.378 -15.419 1.362 1.00 0.00 H new ATOM 0 HG3 PRO A 24 2.528 -14.675 2.702 1.00 0.00 H new ATOM 0 HD2 PRO A 24 4.999 -13.826 1.933 1.00 0.00 H new ATOM 0 HD3 PRO A 24 4.484 -13.749 3.606 1.00 0.00 H new ATOM 354 N GLU A 25 4.992 -18.989 2.242 1.00 0.00 N ATOM 355 CA GLU A 25 5.307 -19.994 1.233 1.00 0.00 C ATOM 356 C GLU A 25 4.328 -19.918 0.065 1.00 0.00 C ATOM 357 O GLU A 25 3.974 -20.936 -0.528 1.00 0.00 O ATOM 358 CB GLU A 25 5.276 -21.394 1.848 1.00 0.00 C ATOM 359 CG GLU A 25 6.403 -21.650 2.836 1.00 0.00 C ATOM 360 CD GLU A 25 6.497 -23.106 3.248 1.00 0.00 C ATOM 361 OE1 GLU A 25 5.451 -23.693 3.595 1.00 0.00 O ATOM 362 OE2 GLU A 25 7.617 -23.659 3.224 1.00 0.00 O ATOM 0 H GLU A 25 4.414 -19.329 3.010 1.00 0.00 H new ATOM 0 HA GLU A 25 6.310 -19.792 0.858 1.00 0.00 H new ATOM 0 HB2 GLU A 25 4.321 -21.539 2.353 1.00 0.00 H new ATOM 0 HB3 GLU A 25 5.329 -22.134 1.049 1.00 0.00 H new ATOM 0 HG2 GLU A 25 7.349 -21.340 2.391 1.00 0.00 H new ATOM 0 HG3 GLU A 25 6.251 -21.034 3.723 1.00 0.00 H new ATOM 369 N GLU A 26 3.894 -18.703 -0.257 1.00 0.00 N ATOM 370 CA GLU A 26 2.954 -18.495 -1.353 1.00 0.00 C ATOM 371 C GLU A 26 3.687 -18.081 -2.626 1.00 0.00 C ATOM 372 O GLU A 26 4.907 -17.923 -2.629 1.00 0.00 O ATOM 373 CB GLU A 26 1.924 -17.428 -0.975 1.00 0.00 C ATOM 374 CG GLU A 26 0.683 -17.992 -0.303 1.00 0.00 C ATOM 375 CD GLU A 26 -0.350 -18.480 -1.300 1.00 0.00 C ATOM 376 OE1 GLU A 26 -0.869 -17.648 -2.072 1.00 0.00 O ATOM 377 OE2 GLU A 26 -0.638 -19.695 -1.307 1.00 0.00 O ATOM 0 H GLU A 26 4.178 -17.850 0.224 1.00 0.00 H new ATOM 0 HA GLU A 26 2.439 -19.437 -1.540 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.391 -16.704 -0.307 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.627 -16.887 -1.874 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.971 -18.817 0.349 1.00 0.00 H new ATOM 0 HG3 GLU A 26 0.237 -17.225 0.330 1.00 0.00 H new ATOM 384 N ASP A 27 2.932 -17.910 -3.706 1.00 0.00 N ATOM 385 CA ASP A 27 3.508 -17.514 -4.986 1.00 0.00 C ATOM 386 C ASP A 27 2.721 -16.363 -5.604 1.00 0.00 C ATOM 387 O ASP A 27 1.489 -16.360 -5.589 1.00 0.00 O ATOM 388 CB ASP A 27 3.534 -18.704 -5.947 1.00 0.00 C ATOM 389 CG ASP A 27 3.784 -20.018 -5.234 1.00 0.00 C ATOM 390 OD1 ASP A 27 4.398 -19.996 -4.146 1.00 0.00 O ATOM 391 OD2 ASP A 27 3.366 -21.069 -5.764 1.00 0.00 O ATOM 0 H ASP A 27 1.920 -18.039 -3.721 1.00 0.00 H new ATOM 0 HA ASP A 27 4.529 -17.177 -4.808 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.585 -18.758 -6.480 1.00 0.00 H new ATOM 0 HB3 ASP A 27 4.311 -18.546 -6.695 1.00 0.00 H new ATOM 396 N CYS A 28 3.439 -15.385 -6.146 1.00 0.00 N ATOM 397 CA CYS A 28 2.809 -14.227 -6.768 1.00 0.00 C ATOM 398 C CYS A 28 2.489 -14.503 -8.234 1.00 0.00 C ATOM 399 O CYS A 28 3.391 -14.663 -9.057 1.00 0.00 O ATOM 400 CB CYS A 28 3.720 -13.003 -6.655 1.00 0.00 C ATOM 401 SG CYS A 28 3.116 -11.541 -7.559 1.00 0.00 S ATOM 0 H CYS A 28 4.459 -15.372 -6.167 1.00 0.00 H new ATOM 0 HA CYS A 28 1.875 -14.027 -6.242 1.00 0.00 H new ATOM 0 HB2 CYS A 28 3.834 -12.744 -5.602 1.00 0.00 H new ATOM 0 HB3 CYS A 28 4.710 -13.264 -7.028 1.00 0.00 H new ATOM 0 HG CYS A 28 2.931 -10.561 -6.725 1.00 0.00 H new ATOM 406 N ILE A 29 1.200 -14.558 -8.552 1.00 0.00 N ATOM 407 CA ILE A 29 0.761 -14.814 -9.918 1.00 0.00 C ATOM 408 C ILE A 29 0.944 -13.580 -10.794 1.00 0.00 C ATOM 409 O ILE A 29 1.197 -13.690 -11.994 1.00 0.00 O ATOM 410 CB ILE A 29 -0.716 -15.248 -9.963 1.00 0.00 C ATOM 411 CG1 ILE A 29 -1.616 -14.124 -9.445 1.00 0.00 C ATOM 412 CG2 ILE A 29 -0.921 -16.516 -9.148 1.00 0.00 C ATOM 413 CD1 ILE A 29 -2.028 -13.138 -10.516 1.00 0.00 C ATOM 0 H ILE A 29 0.442 -14.429 -7.882 1.00 0.00 H new ATOM 0 HA ILE A 29 1.381 -15.624 -10.302 1.00 0.00 H new ATOM 0 HB ILE A 29 -0.986 -15.457 -10.998 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.511 -14.561 -9.001 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -1.095 -13.589 -8.651 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -1.970 -16.810 -9.190 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -0.304 -17.316 -9.558 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -0.637 -16.333 -8.112 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.664 -12.369 -10.078 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -1.140 -12.673 -10.944 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -2.577 -13.660 -11.299 1.00 0.00 H new ATOM 425 N ILE A 30 0.816 -12.405 -10.186 1.00 0.00 N ATOM 426 CA ILE A 30 0.970 -11.150 -10.911 1.00 0.00 C ATOM 427 C ILE A 30 2.287 -11.117 -11.680 1.00 0.00 C ATOM 428 O ILE A 30 2.329 -10.714 -12.843 1.00 0.00 O ATOM 429 CB ILE A 30 0.914 -9.940 -9.959 1.00 0.00 C ATOM 430 CG1 ILE A 30 -0.485 -9.802 -9.356 1.00 0.00 C ATOM 431 CG2 ILE A 30 1.307 -8.668 -10.695 1.00 0.00 C ATOM 432 CD1 ILE A 30 -0.532 -8.910 -8.135 1.00 0.00 C ATOM 0 H ILE A 30 0.606 -12.296 -9.194 1.00 0.00 H new ATOM 0 HA ILE A 30 0.140 -11.088 -11.615 1.00 0.00 H new ATOM 0 HB ILE A 30 1.624 -10.102 -9.148 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -1.160 -9.404 -10.113 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -0.855 -10.791 -9.088 1.00 0.00 H new ATOM 0 HG21 ILE A 30 1.262 -7.822 -10.009 1.00 0.00 H new ATOM 0 HG22 ILE A 30 2.321 -8.769 -11.081 1.00 0.00 H new ATOM 0 HG23 ILE A 30 0.619 -8.500 -11.524 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.555 -8.859 -7.761 1.00 0.00 H new ATOM 0 HD12 ILE A 30 0.117 -9.319 -7.361 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -0.193 -7.909 -8.402 1.00 0.00 H new ATOM 444 N CYS A 31 3.360 -11.544 -11.023 1.00 0.00 N ATOM 445 CA CYS A 31 4.679 -11.566 -11.644 1.00 0.00 C ATOM 446 C CYS A 31 5.159 -12.999 -11.851 1.00 0.00 C ATOM 447 O CYS A 31 6.226 -13.231 -12.420 1.00 0.00 O ATOM 448 CB CYS A 31 5.684 -10.799 -10.782 1.00 0.00 C ATOM 449 SG CYS A 31 5.964 -11.531 -9.138 1.00 0.00 S ATOM 0 H CYS A 31 3.342 -11.880 -10.060 1.00 0.00 H new ATOM 0 HA CYS A 31 4.603 -11.083 -12.618 1.00 0.00 H new ATOM 0 HB2 CYS A 31 6.635 -10.747 -11.312 1.00 0.00 H new ATOM 0 HB3 CYS A 31 5.332 -9.775 -10.657 1.00 0.00 H new ATOM 0 HG CYS A 31 4.824 -11.687 -8.533 1.00 0.00 H new ATOM 454 N MET A 32 4.364 -13.957 -11.386 1.00 0.00 N ATOM 455 CA MET A 32 4.707 -15.368 -11.522 1.00 0.00 C ATOM 456 C MET A 32 6.080 -15.654 -10.920 1.00 0.00 C ATOM 457 O MET A 32 6.862 -16.423 -11.476 1.00 0.00 O ATOM 458 CB MET A 32 4.688 -15.780 -12.995 1.00 0.00 C ATOM 459 CG MET A 32 3.291 -16.043 -13.533 1.00 0.00 C ATOM 460 SD MET A 32 3.304 -17.002 -15.060 1.00 0.00 S ATOM 461 CE MET A 32 4.278 -18.420 -14.560 1.00 0.00 C ATOM 0 H MET A 32 3.478 -13.782 -10.912 1.00 0.00 H new ATOM 0 HA MET A 32 3.963 -15.951 -10.979 1.00 0.00 H new ATOM 0 HB2 MET A 32 5.156 -14.995 -13.590 1.00 0.00 H new ATOM 0 HB3 MET A 32 5.292 -16.678 -13.121 1.00 0.00 H new ATOM 0 HG2 MET A 32 2.710 -16.575 -12.780 1.00 0.00 H new ATOM 0 HG3 MET A 32 2.789 -15.092 -13.710 1.00 0.00 H new ATOM 0 HE1 MET A 32 3.937 -19.304 -15.099 1.00 0.00 H new ATOM 0 HE2 MET A 32 5.328 -18.238 -14.788 1.00 0.00 H new ATOM 0 HE3 MET A 32 4.162 -18.582 -13.488 1.00 0.00 H new ATOM 471 N GLU A 33 6.364 -15.028 -9.782 1.00 0.00 N ATOM 472 CA GLU A 33 7.643 -15.216 -9.107 1.00 0.00 C ATOM 473 C GLU A 33 7.436 -15.534 -7.628 1.00 0.00 C ATOM 474 O GLU A 33 6.610 -14.915 -6.958 1.00 0.00 O ATOM 475 CB GLU A 33 8.511 -13.965 -9.254 1.00 0.00 C ATOM 476 CG GLU A 33 8.870 -13.639 -10.694 1.00 0.00 C ATOM 477 CD GLU A 33 10.214 -12.948 -10.818 1.00 0.00 C ATOM 478 OE1 GLU A 33 10.357 -11.828 -10.286 1.00 0.00 O ATOM 479 OE2 GLU A 33 11.123 -13.529 -11.447 1.00 0.00 O ATOM 0 H GLU A 33 5.727 -14.387 -9.309 1.00 0.00 H new ATOM 0 HA GLU A 33 8.151 -16.059 -9.575 1.00 0.00 H new ATOM 0 HB2 GLU A 33 7.986 -13.115 -8.818 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.429 -14.100 -8.681 1.00 0.00 H new ATOM 0 HG2 GLU A 33 8.883 -14.559 -11.278 1.00 0.00 H new ATOM 0 HG3 GLU A 33 8.097 -13.001 -11.122 1.00 0.00 H new ATOM 486 N LYS A 34 8.192 -16.505 -7.127 1.00 0.00 N ATOM 487 CA LYS A 34 8.095 -16.906 -5.729 1.00 0.00 C ATOM 488 C LYS A 34 8.376 -15.727 -4.803 1.00 0.00 C ATOM 489 O LYS A 34 9.445 -15.119 -4.863 1.00 0.00 O ATOM 490 CB LYS A 34 9.074 -18.045 -5.434 1.00 0.00 C ATOM 491 CG LYS A 34 8.501 -19.425 -5.702 1.00 0.00 C ATOM 492 CD LYS A 34 9.583 -20.407 -6.120 1.00 0.00 C ATOM 493 CE LYS A 34 9.953 -20.237 -7.586 1.00 0.00 C ATOM 494 NZ LYS A 34 10.579 -21.467 -8.145 1.00 0.00 N ATOM 0 H LYS A 34 8.879 -17.029 -7.669 1.00 0.00 H new ATOM 0 HA LYS A 34 7.078 -17.253 -5.547 1.00 0.00 H new ATOM 0 HB2 LYS A 34 9.970 -17.909 -6.040 1.00 0.00 H new ATOM 0 HB3 LYS A 34 9.383 -17.986 -4.390 1.00 0.00 H new ATOM 0 HG2 LYS A 34 8.001 -19.793 -4.806 1.00 0.00 H new ATOM 0 HG3 LYS A 34 7.745 -19.360 -6.485 1.00 0.00 H new ATOM 0 HD2 LYS A 34 10.468 -20.260 -5.501 1.00 0.00 H new ATOM 0 HD3 LYS A 34 9.238 -21.426 -5.946 1.00 0.00 H new ATOM 0 HE2 LYS A 34 9.060 -19.991 -8.160 1.00 0.00 H new ATOM 0 HE3 LYS A 34 10.641 -19.398 -7.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 10.817 -21.312 -9.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 11.445 -21.688 -7.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 9.913 -22.262 -8.067 1.00 0.00 H new ATOM 508 N LEU A 35 7.411 -15.410 -3.946 1.00 0.00 N ATOM 509 CA LEU A 35 7.556 -14.305 -3.006 1.00 0.00 C ATOM 510 C LEU A 35 8.976 -14.241 -2.454 1.00 0.00 C ATOM 511 O LEU A 35 9.505 -13.161 -2.196 1.00 0.00 O ATOM 512 CB LEU A 35 6.556 -14.452 -1.858 1.00 0.00 C ATOM 513 CG LEU A 35 5.086 -14.574 -2.259 1.00 0.00 C ATOM 514 CD1 LEU A 35 4.293 -15.284 -1.173 1.00 0.00 C ATOM 515 CD2 LEU A 35 4.494 -13.200 -2.542 1.00 0.00 C ATOM 0 H LEU A 35 6.520 -15.903 -3.883 1.00 0.00 H new ATOM 0 HA LEU A 35 7.353 -13.377 -3.541 1.00 0.00 H new ATOM 0 HB2 LEU A 35 6.828 -15.333 -1.277 1.00 0.00 H new ATOM 0 HB3 LEU A 35 6.662 -13.591 -1.198 1.00 0.00 H new ATOM 0 HG LEU A 35 5.027 -15.168 -3.171 1.00 0.00 H new ATOM 0 HD11 LEU A 35 3.249 -15.361 -1.476 1.00 0.00 H new ATOM 0 HD12 LEU A 35 4.701 -16.283 -1.019 1.00 0.00 H new ATOM 0 HD13 LEU A 35 4.360 -14.717 -0.244 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.447 -13.306 -2.826 1.00 0.00 H new ATOM 0 HD22 LEU A 35 4.566 -12.581 -1.647 1.00 0.00 H new ATOM 0 HD23 LEU A 35 5.044 -12.727 -3.355 1.00 0.00 H new ATOM 527 N ALA A 36 9.589 -15.407 -2.276 1.00 0.00 N ATOM 528 CA ALA A 36 10.949 -15.485 -1.759 1.00 0.00 C ATOM 529 C ALA A 36 11.871 -14.516 -2.492 1.00 0.00 C ATOM 530 O ALA A 36 12.662 -13.806 -1.871 1.00 0.00 O ATOM 531 CB ALA A 36 11.477 -16.907 -1.872 1.00 0.00 C ATOM 0 H ALA A 36 9.164 -16.311 -2.483 1.00 0.00 H new ATOM 0 HA ALA A 36 10.928 -15.200 -0.707 1.00 0.00 H new ATOM 0 HB1 ALA A 36 12.494 -16.950 -1.482 1.00 0.00 H new ATOM 0 HB2 ALA A 36 10.839 -17.579 -1.297 1.00 0.00 H new ATOM 0 HB3 ALA A 36 11.477 -17.213 -2.918 1.00 0.00 H new ATOM 537 N VAL A 37 11.765 -14.493 -3.817 1.00 0.00 N ATOM 538 CA VAL A 37 12.589 -13.612 -4.635 1.00 0.00 C ATOM 539 C VAL A 37 12.008 -12.203 -4.682 1.00 0.00 C ATOM 540 O VAL A 37 10.940 -11.943 -4.128 1.00 0.00 O ATOM 541 CB VAL A 37 12.726 -14.146 -6.073 1.00 0.00 C ATOM 542 CG1 VAL A 37 13.317 -15.548 -6.067 1.00 0.00 C ATOM 543 CG2 VAL A 37 11.379 -14.130 -6.778 1.00 0.00 C ATOM 0 H VAL A 37 11.116 -15.075 -4.347 1.00 0.00 H new ATOM 0 HA VAL A 37 13.575 -13.581 -4.171 1.00 0.00 H new ATOM 0 HB VAL A 37 13.405 -13.493 -6.622 1.00 0.00 H new ATOM 0 HG11 VAL A 37 13.407 -15.909 -7.091 1.00 0.00 H new ATOM 0 HG12 VAL A 37 14.303 -15.525 -5.603 1.00 0.00 H new ATOM 0 HG13 VAL A 37 12.665 -16.215 -5.503 1.00 0.00 H new ATOM 0 HG21 VAL A 37 11.495 -14.511 -7.793 1.00 0.00 H new ATOM 0 HG22 VAL A 37 10.675 -14.759 -6.233 1.00 0.00 H new ATOM 0 HG23 VAL A 37 11.000 -13.109 -6.815 1.00 0.00 H new ATOM 553 N ALA A 38 12.718 -11.298 -5.347 1.00 0.00 N ATOM 554 CA ALA A 38 12.271 -9.916 -5.468 1.00 0.00 C ATOM 555 C ALA A 38 10.966 -9.827 -6.253 1.00 0.00 C ATOM 556 O ALA A 38 10.465 -10.832 -6.758 1.00 0.00 O ATOM 557 CB ALA A 38 13.347 -9.070 -6.133 1.00 0.00 C ATOM 0 H ALA A 38 13.605 -11.497 -5.810 1.00 0.00 H new ATOM 0 HA ALA A 38 12.088 -9.530 -4.465 1.00 0.00 H new ATOM 0 HB1 ALA A 38 13.000 -8.040 -6.217 1.00 0.00 H new ATOM 0 HB2 ALA A 38 14.256 -9.099 -5.532 1.00 0.00 H new ATOM 0 HB3 ALA A 38 13.557 -9.464 -7.127 1.00 0.00 H new ATOM 563 N SER A 39 10.421 -8.619 -6.351 1.00 0.00 N ATOM 564 CA SER A 39 9.171 -8.400 -7.070 1.00 0.00 C ATOM 565 C SER A 39 9.424 -8.267 -8.569 1.00 0.00 C ATOM 566 O SER A 39 10.492 -7.828 -8.993 1.00 0.00 O ATOM 567 CB SER A 39 8.469 -7.146 -6.546 1.00 0.00 C ATOM 568 OG SER A 39 7.464 -6.711 -7.445 1.00 0.00 O ATOM 0 H SER A 39 10.825 -7.777 -5.942 1.00 0.00 H new ATOM 0 HA SER A 39 8.527 -9.264 -6.902 1.00 0.00 H new ATOM 0 HB2 SER A 39 8.025 -7.354 -5.572 1.00 0.00 H new ATOM 0 HB3 SER A 39 9.200 -6.351 -6.400 1.00 0.00 H new ATOM 0 HG SER A 39 6.639 -7.214 -7.282 1.00 0.00 H new ATOM 574 N GLY A 40 8.431 -8.651 -9.366 1.00 0.00 N ATOM 575 CA GLY A 40 8.564 -8.567 -10.809 1.00 0.00 C ATOM 576 C GLY A 40 8.565 -7.136 -11.309 1.00 0.00 C ATOM 577 O GLY A 40 9.256 -6.809 -12.275 1.00 0.00 O ATOM 0 H GLY A 40 7.538 -9.018 -9.038 1.00 0.00 H new ATOM 0 HA2 GLY A 40 9.489 -9.056 -11.115 1.00 0.00 H new ATOM 0 HA3 GLY A 40 7.745 -9.112 -11.279 1.00 0.00 H new ATOM 581 N TYR A 41 7.790 -6.281 -10.652 1.00 0.00 N ATOM 582 CA TYR A 41 7.701 -4.877 -11.038 1.00 0.00 C ATOM 583 C TYR A 41 8.674 -4.027 -10.227 1.00 0.00 C ATOM 584 O TYR A 41 8.526 -2.808 -10.140 1.00 0.00 O ATOM 585 CB TYR A 41 6.274 -4.363 -10.846 1.00 0.00 C ATOM 586 CG TYR A 41 5.247 -5.106 -11.671 1.00 0.00 C ATOM 587 CD1 TYR A 41 5.038 -6.468 -11.495 1.00 0.00 C ATOM 588 CD2 TYR A 41 4.484 -4.444 -12.626 1.00 0.00 C ATOM 589 CE1 TYR A 41 4.101 -7.150 -12.247 1.00 0.00 C ATOM 590 CE2 TYR A 41 3.544 -5.118 -13.381 1.00 0.00 C ATOM 591 CZ TYR A 41 3.357 -6.471 -13.189 1.00 0.00 C ATOM 592 OH TYR A 41 2.421 -7.147 -13.939 1.00 0.00 O ATOM 0 H TYR A 41 7.214 -6.535 -9.849 1.00 0.00 H new ATOM 0 HA TYR A 41 7.969 -4.798 -12.092 1.00 0.00 H new ATOM 0 HB2 TYR A 41 6.007 -4.442 -9.792 1.00 0.00 H new ATOM 0 HB3 TYR A 41 6.240 -3.305 -11.105 1.00 0.00 H new ATOM 0 HD1 TYR A 41 5.618 -7.003 -10.758 1.00 0.00 H new ATOM 0 HD2 TYR A 41 4.629 -3.385 -12.780 1.00 0.00 H new ATOM 0 HE1 TYR A 41 3.952 -8.209 -12.098 1.00 0.00 H new ATOM 0 HE2 TYR A 41 2.958 -4.588 -14.118 1.00 0.00 H new ATOM 0 HH TYR A 41 1.983 -6.523 -14.555 1.00 0.00 H new ATOM 602 N SER A 42 9.668 -4.679 -9.634 1.00 0.00 N ATOM 603 CA SER A 42 10.664 -3.985 -8.827 1.00 0.00 C ATOM 604 C SER A 42 11.146 -2.719 -9.529 1.00 0.00 C ATOM 605 O SER A 42 11.161 -1.637 -8.941 1.00 0.00 O ATOM 606 CB SER A 42 11.852 -4.906 -8.540 1.00 0.00 C ATOM 607 OG SER A 42 11.524 -5.869 -7.554 1.00 0.00 O ATOM 0 H SER A 42 9.805 -5.688 -9.697 1.00 0.00 H new ATOM 0 HA SER A 42 10.197 -3.702 -7.884 1.00 0.00 H new ATOM 0 HB2 SER A 42 12.156 -5.410 -9.458 1.00 0.00 H new ATOM 0 HB3 SER A 42 12.703 -4.313 -8.205 1.00 0.00 H new ATOM 0 HG SER A 42 11.290 -6.716 -7.989 1.00 0.00 H new ATOM 613 N ASP A 43 11.539 -2.862 -10.790 1.00 0.00 N ATOM 614 CA ASP A 43 12.021 -1.731 -11.574 1.00 0.00 C ATOM 615 C ASP A 43 10.858 -0.864 -12.048 1.00 0.00 C ATOM 616 O ASP A 43 10.852 0.349 -11.841 1.00 0.00 O ATOM 617 CB ASP A 43 12.829 -2.223 -12.775 1.00 0.00 C ATOM 618 CG ASP A 43 13.079 -1.128 -13.793 1.00 0.00 C ATOM 619 OD1 ASP A 43 13.828 -0.182 -13.474 1.00 0.00 O ATOM 620 OD2 ASP A 43 12.524 -1.217 -14.909 1.00 0.00 O ATOM 0 H ASP A 43 11.533 -3.750 -11.291 1.00 0.00 H new ATOM 0 HA ASP A 43 12.665 -1.126 -10.936 1.00 0.00 H new ATOM 0 HB2 ASP A 43 13.784 -2.618 -12.429 1.00 0.00 H new ATOM 0 HB3 ASP A 43 12.298 -3.046 -13.254 1.00 0.00 H new ATOM 625 N MET A 44 9.878 -1.495 -12.685 1.00 0.00 N ATOM 626 CA MET A 44 8.710 -0.781 -13.189 1.00 0.00 C ATOM 627 C MET A 44 8.225 0.250 -12.175 1.00 0.00 C ATOM 628 O MET A 44 7.973 1.405 -12.520 1.00 0.00 O ATOM 629 CB MET A 44 7.584 -1.765 -13.511 1.00 0.00 C ATOM 630 CG MET A 44 6.294 -1.090 -13.948 1.00 0.00 C ATOM 631 SD MET A 44 5.335 -2.100 -15.093 1.00 0.00 S ATOM 632 CE MET A 44 3.666 -1.627 -14.646 1.00 0.00 C ATOM 0 H MET A 44 9.869 -2.499 -12.865 1.00 0.00 H new ATOM 0 HA MET A 44 8.999 -0.260 -14.102 1.00 0.00 H new ATOM 0 HB2 MET A 44 7.917 -2.440 -14.300 1.00 0.00 H new ATOM 0 HB3 MET A 44 7.384 -2.377 -12.631 1.00 0.00 H new ATOM 0 HG2 MET A 44 5.688 -0.869 -13.069 1.00 0.00 H new ATOM 0 HG3 MET A 44 6.529 -0.136 -14.420 1.00 0.00 H new ATOM 0 HE1 MET A 44 2.957 -2.313 -15.109 1.00 0.00 H new ATOM 0 HE2 MET A 44 3.554 -1.667 -13.562 1.00 0.00 H new ATOM 0 HE3 MET A 44 3.470 -0.613 -14.994 1.00 0.00 H new ATOM 642 N THR A 45 8.096 -0.173 -10.921 1.00 0.00 N ATOM 643 CA THR A 45 7.640 0.713 -9.858 1.00 0.00 C ATOM 644 C THR A 45 8.810 1.453 -9.220 1.00 0.00 C ATOM 645 O THR A 45 8.844 2.684 -9.206 1.00 0.00 O ATOM 646 CB THR A 45 6.882 -0.064 -8.765 1.00 0.00 C ATOM 647 OG1 THR A 45 7.642 -1.209 -8.361 1.00 0.00 O ATOM 648 CG2 THR A 45 5.516 -0.508 -9.266 1.00 0.00 C ATOM 0 H THR A 45 8.301 -1.125 -10.617 1.00 0.00 H new ATOM 0 HA THR A 45 6.963 1.434 -10.316 1.00 0.00 H new ATOM 0 HB THR A 45 6.741 0.598 -7.911 1.00 0.00 H new ATOM 0 HG1 THR A 45 7.583 -1.901 -9.052 1.00 0.00 H new ATOM 0 HG21 THR A 45 4.999 -1.055 -8.477 1.00 0.00 H new ATOM 0 HG22 THR A 45 4.929 0.367 -9.546 1.00 0.00 H new ATOM 0 HG23 THR A 45 5.640 -1.155 -10.135 1.00 0.00 H new ATOM 656 N ASP A 46 9.766 0.697 -8.693 1.00 0.00 N ATOM 657 CA ASP A 46 10.940 1.282 -8.055 1.00 0.00 C ATOM 658 C ASP A 46 10.533 2.355 -7.050 1.00 0.00 C ATOM 659 O ASP A 46 11.156 3.414 -6.971 1.00 0.00 O ATOM 660 CB ASP A 46 11.874 1.880 -9.107 1.00 0.00 C ATOM 661 CG ASP A 46 13.277 2.101 -8.577 1.00 0.00 C ATOM 662 OD1 ASP A 46 13.971 1.101 -8.298 1.00 0.00 O ATOM 663 OD2 ASP A 46 13.682 3.275 -8.441 1.00 0.00 O ATOM 0 H ASP A 46 9.752 -0.323 -8.695 1.00 0.00 H new ATOM 0 HA ASP A 46 11.466 0.490 -7.522 1.00 0.00 H new ATOM 0 HB2 ASP A 46 11.915 1.217 -9.971 1.00 0.00 H new ATOM 0 HB3 ASP A 46 11.466 2.829 -9.453 1.00 0.00 H new ATOM 668 N SER A 47 9.483 2.074 -6.284 1.00 0.00 N ATOM 669 CA SER A 47 8.989 3.017 -5.287 1.00 0.00 C ATOM 670 C SER A 47 10.002 3.196 -4.160 1.00 0.00 C ATOM 671 O SER A 47 10.857 2.338 -3.936 1.00 0.00 O ATOM 672 CB SER A 47 7.654 2.537 -4.717 1.00 0.00 C ATOM 673 OG SER A 47 7.128 3.472 -3.792 1.00 0.00 O ATOM 0 H SER A 47 8.958 1.201 -6.335 1.00 0.00 H new ATOM 0 HA SER A 47 8.841 3.980 -5.776 1.00 0.00 H new ATOM 0 HB2 SER A 47 6.943 2.384 -5.529 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.790 1.573 -4.227 1.00 0.00 H new ATOM 0 HG SER A 47 6.273 3.142 -3.444 1.00 0.00 H new ATOM 679 N LYS A 48 9.900 4.316 -3.453 1.00 0.00 N ATOM 680 CA LYS A 48 10.804 4.609 -2.348 1.00 0.00 C ATOM 681 C LYS A 48 10.273 4.029 -1.041 1.00 0.00 C ATOM 682 O LYS A 48 11.005 3.376 -0.299 1.00 0.00 O ATOM 683 CB LYS A 48 10.996 6.121 -2.206 1.00 0.00 C ATOM 684 CG LYS A 48 12.189 6.505 -1.348 1.00 0.00 C ATOM 685 CD LYS A 48 12.780 7.836 -1.779 1.00 0.00 C ATOM 686 CE LYS A 48 11.977 9.006 -1.231 1.00 0.00 C ATOM 687 NZ LYS A 48 12.612 10.314 -1.554 1.00 0.00 N ATOM 0 H LYS A 48 9.199 5.037 -3.626 1.00 0.00 H new ATOM 0 HA LYS A 48 11.766 4.145 -2.566 1.00 0.00 H new ATOM 0 HB2 LYS A 48 11.116 6.558 -3.197 1.00 0.00 H new ATOM 0 HB3 LYS A 48 10.094 6.554 -1.774 1.00 0.00 H new ATOM 0 HG2 LYS A 48 11.883 6.563 -0.303 1.00 0.00 H new ATOM 0 HG3 LYS A 48 12.951 5.729 -1.415 1.00 0.00 H new ATOM 0 HD2 LYS A 48 13.811 7.907 -1.432 1.00 0.00 H new ATOM 0 HD3 LYS A 48 12.805 7.889 -2.867 1.00 0.00 H new ATOM 0 HE2 LYS A 48 10.969 8.980 -1.644 1.00 0.00 H new ATOM 0 HE3 LYS A 48 11.881 8.906 -0.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 12.035 11.086 -1.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 13.565 10.350 -1.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 12.681 10.421 -2.586 1.00 0.00 H new ATOM 701 N ALA A 49 8.995 4.270 -0.769 1.00 0.00 N ATOM 702 CA ALA A 49 8.365 3.768 0.446 1.00 0.00 C ATOM 703 C ALA A 49 8.234 2.249 0.409 1.00 0.00 C ATOM 704 O ALA A 49 8.815 1.545 1.237 1.00 0.00 O ATOM 705 CB ALA A 49 7.000 4.413 0.638 1.00 0.00 C ATOM 0 H ALA A 49 8.376 4.810 -1.373 1.00 0.00 H new ATOM 0 HA ALA A 49 9.001 4.031 1.291 1.00 0.00 H new ATOM 0 HB1 ALA A 49 6.541 4.029 1.549 1.00 0.00 H new ATOM 0 HB2 ALA A 49 7.116 5.494 0.718 1.00 0.00 H new ATOM 0 HB3 ALA A 49 6.364 4.179 -0.215 1.00 0.00 H new ATOM 711 N LEU A 50 7.468 1.749 -0.554 1.00 0.00 N ATOM 712 CA LEU A 50 7.260 0.312 -0.698 1.00 0.00 C ATOM 713 C LEU A 50 8.529 -0.374 -1.192 1.00 0.00 C ATOM 714 O LEU A 50 9.379 0.250 -1.826 1.00 0.00 O ATOM 715 CB LEU A 50 6.109 0.039 -1.667 1.00 0.00 C ATOM 716 CG LEU A 50 4.712 -0.024 -1.049 1.00 0.00 C ATOM 717 CD1 LEU A 50 3.646 0.136 -2.122 1.00 0.00 C ATOM 718 CD2 LEU A 50 4.520 -1.331 -0.294 1.00 0.00 C ATOM 0 H LEU A 50 6.981 2.317 -1.247 1.00 0.00 H new ATOM 0 HA LEU A 50 7.007 -0.094 0.281 1.00 0.00 H new ATOM 0 HB2 LEU A 50 6.112 0.816 -2.431 1.00 0.00 H new ATOM 0 HB3 LEU A 50 6.303 -0.906 -2.173 1.00 0.00 H new ATOM 0 HG LEU A 50 4.612 0.799 -0.341 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.658 0.089 -1.664 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.770 1.099 -2.618 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.745 -0.665 -2.855 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.520 -1.358 0.139 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.641 -2.169 -0.981 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.262 -1.404 0.501 1.00 0.00 H new ATOM 730 N GLY A 51 8.651 -1.665 -0.897 1.00 0.00 N ATOM 731 CA GLY A 51 9.818 -2.416 -1.320 1.00 0.00 C ATOM 732 C GLY A 51 9.458 -3.612 -2.179 1.00 0.00 C ATOM 733 O GLY A 51 8.375 -4.185 -2.061 1.00 0.00 O ATOM 0 H GLY A 51 7.962 -2.204 -0.372 1.00 0.00 H new ATOM 0 HA2 GLY A 51 10.486 -1.760 -1.878 1.00 0.00 H new ATOM 0 HA3 GLY A 51 10.366 -2.756 -0.441 1.00 0.00 H new ATOM 737 N PRO A 52 10.381 -4.005 -3.070 1.00 0.00 N ATOM 738 CA PRO A 52 10.178 -5.143 -3.971 1.00 0.00 C ATOM 739 C PRO A 52 10.182 -6.476 -3.232 1.00 0.00 C ATOM 740 O PRO A 52 9.386 -7.365 -3.531 1.00 0.00 O ATOM 741 CB PRO A 52 11.371 -5.057 -4.926 1.00 0.00 C ATOM 742 CG PRO A 52 12.423 -4.338 -4.154 1.00 0.00 C ATOM 743 CD PRO A 52 11.695 -3.368 -3.265 1.00 0.00 C ATOM 0 HA PRO A 52 9.210 -5.099 -4.471 1.00 0.00 H new ATOM 0 HB2 PRO A 52 11.709 -6.048 -5.227 1.00 0.00 H new ATOM 0 HB3 PRO A 52 11.111 -4.518 -5.837 1.00 0.00 H new ATOM 0 HG2 PRO A 52 13.020 -5.035 -3.565 1.00 0.00 H new ATOM 0 HG3 PRO A 52 13.109 -3.816 -4.822 1.00 0.00 H new ATOM 0 HD2 PRO A 52 12.215 -3.222 -2.318 1.00 0.00 H new ATOM 0 HD3 PRO A 52 11.601 -2.387 -3.732 1.00 0.00 H new ATOM 751 N MET A 53 11.084 -6.607 -2.264 1.00 0.00 N ATOM 752 CA MET A 53 11.190 -7.833 -1.480 1.00 0.00 C ATOM 753 C MET A 53 10.027 -7.954 -0.501 1.00 0.00 C ATOM 754 O MET A 53 9.525 -9.050 -0.251 1.00 0.00 O ATOM 755 CB MET A 53 12.518 -7.864 -0.720 1.00 0.00 C ATOM 756 CG MET A 53 13.675 -8.409 -1.541 1.00 0.00 C ATOM 757 SD MET A 53 13.827 -10.202 -1.422 1.00 0.00 S ATOM 758 CE MET A 53 14.823 -10.554 -2.869 1.00 0.00 C ATOM 0 H MET A 53 11.751 -5.881 -2.004 1.00 0.00 H new ATOM 0 HA MET A 53 11.153 -8.679 -2.167 1.00 0.00 H new ATOM 0 HB2 MET A 53 12.762 -6.854 -0.389 1.00 0.00 H new ATOM 0 HB3 MET A 53 12.400 -8.473 0.176 1.00 0.00 H new ATOM 0 HG2 MET A 53 13.538 -8.128 -2.585 1.00 0.00 H new ATOM 0 HG3 MET A 53 14.603 -7.946 -1.205 1.00 0.00 H new ATOM 0 HE1 MET A 53 14.449 -11.453 -3.358 1.00 0.00 H new ATOM 0 HE2 MET A 53 14.768 -9.714 -3.562 1.00 0.00 H new ATOM 0 HE3 MET A 53 15.859 -10.709 -2.569 1.00 0.00 H new ATOM 768 N VAL A 54 9.604 -6.822 0.052 1.00 0.00 N ATOM 769 CA VAL A 54 8.499 -6.802 1.004 1.00 0.00 C ATOM 770 C VAL A 54 7.338 -7.659 0.515 1.00 0.00 C ATOM 771 O VAL A 54 7.021 -7.676 -0.674 1.00 0.00 O ATOM 772 CB VAL A 54 7.996 -5.367 1.249 1.00 0.00 C ATOM 773 CG1 VAL A 54 6.885 -5.361 2.288 1.00 0.00 C ATOM 774 CG2 VAL A 54 9.144 -4.466 1.679 1.00 0.00 C ATOM 0 H VAL A 54 10.010 -5.907 -0.143 1.00 0.00 H new ATOM 0 HA VAL A 54 8.879 -7.211 1.940 1.00 0.00 H new ATOM 0 HB VAL A 54 7.590 -4.979 0.315 1.00 0.00 H new ATOM 0 HG11 VAL A 54 6.542 -4.339 2.448 1.00 0.00 H new ATOM 0 HG12 VAL A 54 6.054 -5.972 1.935 1.00 0.00 H new ATOM 0 HG13 VAL A 54 7.262 -5.768 3.226 1.00 0.00 H new ATOM 0 HG21 VAL A 54 8.770 -3.456 1.848 1.00 0.00 H new ATOM 0 HG22 VAL A 54 9.582 -4.850 2.601 1.00 0.00 H new ATOM 0 HG23 VAL A 54 9.903 -4.446 0.897 1.00 0.00 H new ATOM 784 N VAL A 55 6.704 -8.371 1.442 1.00 0.00 N ATOM 785 CA VAL A 55 5.575 -9.231 1.107 1.00 0.00 C ATOM 786 C VAL A 55 4.512 -9.192 2.199 1.00 0.00 C ATOM 787 O VAL A 55 4.827 -9.100 3.384 1.00 0.00 O ATOM 788 CB VAL A 55 6.024 -10.689 0.894 1.00 0.00 C ATOM 789 CG1 VAL A 55 4.847 -11.553 0.468 1.00 0.00 C ATOM 790 CG2 VAL A 55 7.146 -10.757 -0.131 1.00 0.00 C ATOM 0 H VAL A 55 6.953 -8.369 2.431 1.00 0.00 H new ATOM 0 HA VAL A 55 5.151 -8.850 0.178 1.00 0.00 H new ATOM 0 HB VAL A 55 6.404 -11.076 1.840 1.00 0.00 H new ATOM 0 HG11 VAL A 55 5.183 -12.580 0.322 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.079 -11.529 1.241 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.434 -11.170 -0.465 1.00 0.00 H new ATOM 0 HG21 VAL A 55 7.451 -11.794 -0.269 1.00 0.00 H new ATOM 0 HG22 VAL A 55 6.796 -10.352 -1.081 1.00 0.00 H new ATOM 0 HG23 VAL A 55 7.996 -10.173 0.221 1.00 0.00 H new ATOM 800 N GLY A 56 3.249 -9.264 1.790 1.00 0.00 N ATOM 801 CA GLY A 56 2.157 -9.236 2.745 1.00 0.00 C ATOM 802 C GLY A 56 0.987 -10.098 2.315 1.00 0.00 C ATOM 803 O GLY A 56 0.958 -10.601 1.191 1.00 0.00 O ATOM 0 H GLY A 56 2.963 -9.341 0.814 1.00 0.00 H new ATOM 0 HA2 GLY A 56 2.518 -9.577 3.715 1.00 0.00 H new ATOM 0 HA3 GLY A 56 1.818 -8.208 2.875 1.00 0.00 H new ATOM 807 N ARG A 57 0.020 -10.271 3.210 1.00 0.00 N ATOM 808 CA ARG A 57 -1.156 -11.081 2.917 1.00 0.00 C ATOM 809 C ARG A 57 -2.434 -10.262 3.077 1.00 0.00 C ATOM 810 O ARG A 57 -2.632 -9.594 4.092 1.00 0.00 O ATOM 811 CB ARG A 57 -1.202 -12.303 3.837 1.00 0.00 C ATOM 812 CG ARG A 57 -0.572 -13.546 3.230 1.00 0.00 C ATOM 813 CD ARG A 57 -0.688 -14.741 4.163 1.00 0.00 C ATOM 814 NE ARG A 57 0.006 -15.914 3.639 1.00 0.00 N ATOM 815 CZ ARG A 57 0.089 -17.070 4.288 1.00 0.00 C ATOM 816 NH1 ARG A 57 -0.476 -17.207 5.480 1.00 0.00 N ATOM 817 NH2 ARG A 57 0.738 -18.092 3.745 1.00 0.00 N ATOM 0 H ARG A 57 0.028 -9.861 4.144 1.00 0.00 H new ATOM 0 HA ARG A 57 -1.087 -11.416 1.882 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -0.690 -12.065 4.769 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -2.240 -12.518 4.089 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -1.057 -13.775 2.281 1.00 0.00 H new ATOM 0 HG3 ARG A 57 0.479 -13.354 3.012 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -0.275 -14.481 5.138 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -1.740 -14.981 4.316 1.00 0.00 H new ATOM 0 HE ARG A 57 0.452 -15.842 2.724 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -0.976 -16.424 5.901 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -0.411 -18.096 5.976 1.00 0.00 H new ATOM 0 HH21 ARG A 57 1.174 -17.990 2.828 1.00 0.00 H new ATOM 0 HH22 ARG A 57 0.801 -18.979 4.244 1.00 0.00 H new ATOM 831 N LEU A 58 -3.296 -10.319 2.068 1.00 0.00 N ATOM 832 CA LEU A 58 -4.555 -9.582 2.096 1.00 0.00 C ATOM 833 C LEU A 58 -5.340 -9.893 3.367 1.00 0.00 C ATOM 834 O LEU A 58 -5.035 -10.850 4.080 1.00 0.00 O ATOM 835 CB LEU A 58 -5.397 -9.925 0.866 1.00 0.00 C ATOM 836 CG LEU A 58 -4.776 -9.585 -0.489 1.00 0.00 C ATOM 837 CD1 LEU A 58 -5.234 -10.573 -1.550 1.00 0.00 C ATOM 838 CD2 LEU A 58 -5.129 -8.161 -0.895 1.00 0.00 C ATOM 0 H LEU A 58 -3.147 -10.867 1.221 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.324 -8.517 2.085 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -5.614 -10.993 0.886 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -6.351 -9.404 0.947 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.692 -9.658 -0.399 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -4.782 -10.315 -2.507 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -4.930 -11.580 -1.265 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -6.320 -10.534 -1.639 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -4.679 -7.936 -1.862 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -6.212 -8.061 -0.967 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.749 -7.465 -0.147 1.00 0.00 H new ATOM 850 N THR A 59 -6.354 -9.079 3.644 1.00 0.00 N ATOM 851 CA THR A 59 -7.183 -9.267 4.827 1.00 0.00 C ATOM 852 C THR A 59 -8.562 -9.799 4.453 1.00 0.00 C ATOM 853 O THR A 59 -9.508 -9.708 5.236 1.00 0.00 O ATOM 854 CB THR A 59 -7.349 -7.952 5.612 1.00 0.00 C ATOM 855 OG1 THR A 59 -7.819 -6.917 4.740 1.00 0.00 O ATOM 856 CG2 THR A 59 -6.032 -7.530 6.245 1.00 0.00 C ATOM 0 H THR A 59 -6.620 -8.283 3.064 1.00 0.00 H new ATOM 0 HA THR A 59 -6.673 -9.996 5.457 1.00 0.00 H new ATOM 0 HB THR A 59 -8.078 -8.117 6.405 1.00 0.00 H new ATOM 0 HG1 THR A 59 -7.103 -6.660 4.122 1.00 0.00 H new ATOM 0 HG21 THR A 59 -6.174 -6.599 6.794 1.00 0.00 H new ATOM 0 HG22 THR A 59 -5.692 -8.307 6.930 1.00 0.00 H new ATOM 0 HG23 THR A 59 -5.285 -7.381 5.465 1.00 0.00 H new ATOM 864 N LYS A 60 -8.670 -10.357 3.252 1.00 0.00 N ATOM 865 CA LYS A 60 -9.932 -10.907 2.774 1.00 0.00 C ATOM 866 C LYS A 60 -9.780 -12.379 2.404 1.00 0.00 C ATOM 867 O LYS A 60 -10.314 -13.258 3.081 1.00 0.00 O ATOM 868 CB LYS A 60 -10.431 -10.115 1.563 1.00 0.00 C ATOM 869 CG LYS A 60 -11.301 -8.926 1.930 1.00 0.00 C ATOM 870 CD LYS A 60 -12.303 -8.608 0.833 1.00 0.00 C ATOM 871 CE LYS A 60 -13.433 -9.626 0.798 1.00 0.00 C ATOM 872 NZ LYS A 60 -14.399 -9.420 1.912 1.00 0.00 N ATOM 0 H LYS A 60 -7.897 -10.440 2.591 1.00 0.00 H new ATOM 0 HA LYS A 60 -10.662 -10.827 3.579 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -9.573 -9.763 0.991 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -10.997 -10.781 0.912 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -11.831 -9.135 2.859 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -10.671 -8.055 2.112 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -12.715 -7.611 0.992 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -11.796 -8.593 -0.132 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -13.957 -9.554 -0.155 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -13.018 -10.632 0.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -15.229 -10.029 1.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -13.944 -9.662 2.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -14.699 -8.425 1.931 1.00 0.00 H new ATOM 886 N CYS A 61 -9.046 -12.641 1.328 1.00 0.00 N ATOM 887 CA CYS A 61 -8.822 -14.006 0.868 1.00 0.00 C ATOM 888 C CYS A 61 -7.517 -14.562 1.431 1.00 0.00 C ATOM 889 O CYS A 61 -7.121 -15.684 1.116 1.00 0.00 O ATOM 890 CB CYS A 61 -8.792 -14.054 -0.661 1.00 0.00 C ATOM 891 SG CYS A 61 -7.733 -12.783 -1.423 1.00 0.00 S ATOM 0 H CYS A 61 -8.596 -11.925 0.758 1.00 0.00 H new ATOM 0 HA CYS A 61 -9.645 -14.623 1.227 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -8.445 -15.038 -0.976 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -9.808 -13.939 -1.038 1.00 0.00 H new ATOM 0 HG CYS A 61 -8.005 -12.694 -2.691 1.00 0.00 H new ATOM 896 N SER A 62 -6.854 -13.768 2.266 1.00 0.00 N ATOM 897 CA SER A 62 -5.592 -14.179 2.871 1.00 0.00 C ATOM 898 C SER A 62 -4.616 -14.674 1.808 1.00 0.00 C ATOM 899 O SER A 62 -3.915 -15.667 2.006 1.00 0.00 O ATOM 900 CB SER A 62 -5.832 -15.276 3.909 1.00 0.00 C ATOM 901 OG SER A 62 -6.264 -16.477 3.293 1.00 0.00 O ATOM 0 H SER A 62 -7.169 -12.837 2.539 1.00 0.00 H new ATOM 0 HA SER A 62 -5.155 -13.311 3.365 1.00 0.00 H new ATOM 0 HB2 SER A 62 -4.914 -15.460 4.467 1.00 0.00 H new ATOM 0 HB3 SER A 62 -6.581 -14.943 4.628 1.00 0.00 H new ATOM 0 HG SER A 62 -6.282 -16.358 2.320 1.00 0.00 H new ATOM 907 N HIS A 63 -4.576 -13.975 0.678 1.00 0.00 N ATOM 908 CA HIS A 63 -3.686 -14.343 -0.418 1.00 0.00 C ATOM 909 C HIS A 63 -2.452 -13.445 -0.440 1.00 0.00 C ATOM 910 O HIS A 63 -2.557 -12.236 -0.643 1.00 0.00 O ATOM 911 CB HIS A 63 -4.423 -14.250 -1.754 1.00 0.00 C ATOM 912 CG HIS A 63 -5.380 -15.378 -1.990 1.00 0.00 C ATOM 913 ND1 HIS A 63 -6.034 -15.572 -3.188 1.00 0.00 N ATOM 914 CD2 HIS A 63 -5.792 -16.375 -1.172 1.00 0.00 C ATOM 915 CE1 HIS A 63 -6.807 -16.639 -3.097 1.00 0.00 C ATOM 916 NE2 HIS A 63 -6.679 -17.145 -1.884 1.00 0.00 N ATOM 0 H HIS A 63 -5.149 -13.151 0.497 1.00 0.00 H new ATOM 0 HA HIS A 63 -3.362 -15.372 -0.261 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -4.969 -13.307 -1.794 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -3.692 -14.230 -2.562 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -5.481 -16.535 -0.150 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -7.437 -17.031 -3.882 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -7.160 -17.973 -1.533 1.00 0.00 H new ATOM 924 N ALA A 64 -1.286 -14.046 -0.229 1.00 0.00 N ATOM 925 CA ALA A 64 -0.033 -13.301 -0.226 1.00 0.00 C ATOM 926 C ALA A 64 0.218 -12.644 -1.579 1.00 0.00 C ATOM 927 O ALA A 64 -0.114 -13.204 -2.624 1.00 0.00 O ATOM 928 CB ALA A 64 1.125 -14.218 0.140 1.00 0.00 C ATOM 0 H ALA A 64 -1.183 -15.046 -0.058 1.00 0.00 H new ATOM 0 HA ALA A 64 -0.109 -12.513 0.523 1.00 0.00 H new ATOM 0 HB1 ALA A 64 2.054 -13.649 0.138 1.00 0.00 H new ATOM 0 HB2 ALA A 64 0.958 -14.637 1.132 1.00 0.00 H new ATOM 0 HB3 ALA A 64 1.193 -15.026 -0.588 1.00 0.00 H new ATOM 934 N PHE A 65 0.806 -11.452 -1.553 1.00 0.00 N ATOM 935 CA PHE A 65 1.100 -10.718 -2.778 1.00 0.00 C ATOM 936 C PHE A 65 2.122 -9.615 -2.519 1.00 0.00 C ATOM 937 O PHE A 65 2.030 -8.887 -1.529 1.00 0.00 O ATOM 938 CB PHE A 65 -0.182 -10.115 -3.357 1.00 0.00 C ATOM 939 CG PHE A 65 -0.895 -11.029 -4.313 1.00 0.00 C ATOM 940 CD1 PHE A 65 -0.488 -11.125 -5.633 1.00 0.00 C ATOM 941 CD2 PHE A 65 -1.973 -11.790 -3.890 1.00 0.00 C ATOM 942 CE1 PHE A 65 -1.142 -11.965 -6.516 1.00 0.00 C ATOM 943 CE2 PHE A 65 -2.630 -12.632 -4.767 1.00 0.00 C ATOM 944 CZ PHE A 65 -2.215 -12.718 -6.082 1.00 0.00 C ATOM 0 H PHE A 65 1.088 -10.974 -0.697 1.00 0.00 H new ATOM 0 HA PHE A 65 1.522 -11.418 -3.499 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -0.856 -9.860 -2.539 1.00 0.00 H new ATOM 0 HB3 PHE A 65 0.063 -9.185 -3.870 1.00 0.00 H new ATOM 0 HD1 PHE A 65 0.350 -10.537 -5.977 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -2.303 -11.724 -2.864 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -0.814 -12.032 -7.543 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -3.467 -13.222 -4.425 1.00 0.00 H new ATOM 0 HZ PHE A 65 -2.729 -13.373 -6.770 1.00 0.00 H new ATOM 954 N HIS A 66 3.096 -9.496 -3.415 1.00 0.00 N ATOM 955 CA HIS A 66 4.136 -8.482 -3.284 1.00 0.00 C ATOM 956 C HIS A 66 3.524 -7.095 -3.113 1.00 0.00 C ATOM 957 O HIS A 66 3.070 -6.482 -4.081 1.00 0.00 O ATOM 958 CB HIS A 66 5.053 -8.500 -4.508 1.00 0.00 C ATOM 959 CG HIS A 66 5.893 -9.736 -4.608 1.00 0.00 C ATOM 960 ND1 HIS A 66 5.496 -10.862 -5.300 1.00 0.00 N ATOM 961 CD2 HIS A 66 7.116 -10.020 -4.101 1.00 0.00 C ATOM 962 CE1 HIS A 66 6.438 -11.784 -5.212 1.00 0.00 C ATOM 963 NE2 HIS A 66 7.432 -11.298 -4.491 1.00 0.00 N ATOM 0 H HIS A 66 3.187 -10.089 -4.240 1.00 0.00 H new ATOM 0 HA HIS A 66 4.724 -8.713 -2.396 1.00 0.00 H new ATOM 0 HB2 HIS A 66 4.445 -8.410 -5.408 1.00 0.00 H new ATOM 0 HB3 HIS A 66 5.706 -7.628 -4.475 1.00 0.00 H new ATOM 0 HD1 HIS A 66 4.614 -10.966 -5.801 1.00 0.00 H new ATOM 0 HD2 HIS A 66 7.729 -9.363 -3.501 1.00 0.00 H new ATOM 0 HE1 HIS A 66 6.401 -12.768 -5.655 1.00 0.00 H new ATOM 971 N LEU A 67 3.514 -6.606 -1.878 1.00 0.00 N ATOM 972 CA LEU A 67 2.956 -5.291 -1.580 1.00 0.00 C ATOM 973 C LEU A 67 3.274 -4.300 -2.695 1.00 0.00 C ATOM 974 O LEU A 67 2.524 -3.350 -2.928 1.00 0.00 O ATOM 975 CB LEU A 67 3.505 -4.773 -0.250 1.00 0.00 C ATOM 976 CG LEU A 67 3.264 -5.665 0.969 1.00 0.00 C ATOM 977 CD1 LEU A 67 3.712 -4.963 2.241 1.00 0.00 C ATOM 978 CD2 LEU A 67 1.797 -6.058 1.061 1.00 0.00 C ATOM 0 H LEU A 67 3.886 -7.100 -1.067 1.00 0.00 H new ATOM 0 HA LEU A 67 1.873 -5.391 -1.505 1.00 0.00 H new ATOM 0 HB2 LEU A 67 4.579 -4.621 -0.358 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.063 -3.796 -0.053 1.00 0.00 H new ATOM 0 HG LEU A 67 3.855 -6.573 0.853 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.533 -5.613 3.098 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.776 -4.735 2.175 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.149 -4.038 2.363 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.644 -6.692 1.934 1.00 0.00 H new ATOM 0 HD22 LEU A 67 1.185 -5.161 1.153 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.509 -6.603 0.162 1.00 0.00 H new ATOM 990 N LEU A 68 4.387 -4.528 -3.383 1.00 0.00 N ATOM 991 CA LEU A 68 4.803 -3.656 -4.476 1.00 0.00 C ATOM 992 C LEU A 68 4.012 -3.958 -5.744 1.00 0.00 C ATOM 993 O LEU A 68 3.476 -3.053 -6.385 1.00 0.00 O ATOM 994 CB LEU A 68 6.301 -3.819 -4.743 1.00 0.00 C ATOM 995 CG LEU A 68 6.871 -2.991 -5.895 1.00 0.00 C ATOM 996 CD1 LEU A 68 7.217 -1.587 -5.423 1.00 0.00 C ATOM 997 CD2 LEU A 68 8.096 -3.673 -6.487 1.00 0.00 C ATOM 0 H LEU A 68 5.018 -5.309 -3.204 1.00 0.00 H new ATOM 0 HA LEU A 68 4.603 -2.625 -4.183 1.00 0.00 H new ATOM 0 HB2 LEU A 68 6.842 -3.560 -3.833 1.00 0.00 H new ATOM 0 HB3 LEU A 68 6.501 -4.871 -4.944 1.00 0.00 H new ATOM 0 HG LEU A 68 6.111 -2.914 -6.673 1.00 0.00 H new ATOM 0 HD11 LEU A 68 7.621 -1.012 -6.256 1.00 0.00 H new ATOM 0 HD12 LEU A 68 6.318 -1.098 -5.047 1.00 0.00 H new ATOM 0 HD13 LEU A 68 7.960 -1.643 -4.627 1.00 0.00 H new ATOM 0 HD21 LEU A 68 8.488 -3.070 -7.306 1.00 0.00 H new ATOM 0 HD22 LEU A 68 8.860 -3.781 -5.717 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.818 -4.658 -6.863 1.00 0.00 H new ATOM 1009 N CYS A 69 3.942 -5.236 -6.101 1.00 0.00 N ATOM 1010 CA CYS A 69 3.215 -5.659 -7.292 1.00 0.00 C ATOM 1011 C CYS A 69 1.787 -5.122 -7.277 1.00 0.00 C ATOM 1012 O CYS A 69 1.362 -4.428 -8.202 1.00 0.00 O ATOM 1013 CB CYS A 69 3.197 -7.186 -7.389 1.00 0.00 C ATOM 1014 SG CYS A 69 4.780 -7.916 -7.915 1.00 0.00 S ATOM 0 H CYS A 69 4.380 -5.997 -5.582 1.00 0.00 H new ATOM 0 HA CYS A 69 3.728 -5.253 -8.164 1.00 0.00 H new ATOM 0 HB2 CYS A 69 2.924 -7.598 -6.417 1.00 0.00 H new ATOM 0 HB3 CYS A 69 2.420 -7.486 -8.092 1.00 0.00 H new ATOM 0 HG CYS A 69 4.666 -9.210 -7.965 1.00 0.00 H new ATOM 1019 N LEU A 70 1.050 -5.447 -6.220 1.00 0.00 N ATOM 1020 CA LEU A 70 -0.331 -4.998 -6.083 1.00 0.00 C ATOM 1021 C LEU A 70 -0.452 -3.508 -6.389 1.00 0.00 C ATOM 1022 O LEU A 70 -1.393 -3.075 -7.055 1.00 0.00 O ATOM 1023 CB LEU A 70 -0.844 -5.284 -4.670 1.00 0.00 C ATOM 1024 CG LEU A 70 -0.799 -6.745 -4.224 1.00 0.00 C ATOM 1025 CD1 LEU A 70 -0.812 -6.840 -2.706 1.00 0.00 C ATOM 1026 CD2 LEU A 70 -1.966 -7.520 -4.818 1.00 0.00 C ATOM 0 H LEU A 70 1.386 -6.020 -5.446 1.00 0.00 H new ATOM 0 HA LEU A 70 -0.939 -5.548 -6.801 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.260 -4.692 -3.966 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.874 -4.935 -4.601 1.00 0.00 H new ATOM 0 HG LEU A 70 0.128 -7.188 -4.588 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.780 -7.888 -2.407 1.00 0.00 H new ATOM 0 HD12 LEU A 70 0.056 -6.320 -2.301 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -1.722 -6.381 -2.320 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -1.918 -8.558 -4.490 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -2.904 -7.077 -4.484 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -1.913 -7.481 -5.906 1.00 0.00 H new ATOM 1038 N LEU A 71 0.506 -2.730 -5.899 1.00 0.00 N ATOM 1039 CA LEU A 71 0.509 -1.288 -6.121 1.00 0.00 C ATOM 1040 C LEU A 71 0.598 -0.967 -7.609 1.00 0.00 C ATOM 1041 O LEU A 71 -0.132 -0.116 -8.116 1.00 0.00 O ATOM 1042 CB LEU A 71 1.677 -0.639 -5.376 1.00 0.00 C ATOM 1043 CG LEU A 71 1.799 0.879 -5.511 1.00 0.00 C ATOM 1044 CD1 LEU A 71 0.910 1.578 -4.495 1.00 0.00 C ATOM 1045 CD2 LEU A 71 3.248 1.314 -5.344 1.00 0.00 C ATOM 0 H LEU A 71 1.291 -3.073 -5.345 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.427 -0.884 -5.736 1.00 0.00 H new ATOM 0 HB2 LEU A 71 1.587 -0.883 -4.318 1.00 0.00 H new ATOM 0 HB3 LEU A 71 2.604 -1.091 -5.730 1.00 0.00 H new ATOM 0 HG LEU A 71 1.468 1.164 -6.510 1.00 0.00 H new ATOM 0 HD11 LEU A 71 1.010 2.658 -4.606 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -0.128 1.291 -4.661 1.00 0.00 H new ATOM 0 HD13 LEU A 71 1.210 1.287 -3.488 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.316 2.397 -5.443 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.606 1.016 -4.358 1.00 0.00 H new ATOM 0 HD23 LEU A 71 3.861 0.840 -6.111 1.00 0.00 H new ATOM 1057 N ALA A 72 1.497 -1.655 -8.305 1.00 0.00 N ATOM 1058 CA ALA A 72 1.679 -1.446 -9.736 1.00 0.00 C ATOM 1059 C ALA A 72 0.403 -1.769 -10.505 1.00 0.00 C ATOM 1060 O ALA A 72 -0.044 -0.986 -11.342 1.00 0.00 O ATOM 1061 CB ALA A 72 2.836 -2.291 -10.250 1.00 0.00 C ATOM 0 H ALA A 72 2.111 -2.362 -7.901 1.00 0.00 H new ATOM 0 HA ALA A 72 1.912 -0.394 -9.897 1.00 0.00 H new ATOM 0 HB1 ALA A 72 2.961 -2.125 -11.320 1.00 0.00 H new ATOM 0 HB2 ALA A 72 3.752 -2.009 -9.730 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.626 -3.345 -10.068 1.00 0.00 H new ATOM 1067 N MET A 73 -0.180 -2.928 -10.215 1.00 0.00 N ATOM 1068 CA MET A 73 -1.406 -3.354 -10.879 1.00 0.00 C ATOM 1069 C MET A 73 -2.542 -2.375 -10.603 1.00 0.00 C ATOM 1070 O MET A 73 -3.278 -1.991 -11.512 1.00 0.00 O ATOM 1071 CB MET A 73 -1.802 -4.757 -10.415 1.00 0.00 C ATOM 1072 CG MET A 73 -2.903 -5.386 -11.253 1.00 0.00 C ATOM 1073 SD MET A 73 -3.901 -6.562 -10.319 1.00 0.00 S ATOM 1074 CE MET A 73 -4.484 -5.524 -8.982 1.00 0.00 C ATOM 0 H MET A 73 0.177 -3.589 -9.525 1.00 0.00 H new ATOM 0 HA MET A 73 -1.220 -3.374 -11.953 1.00 0.00 H new ATOM 0 HB2 MET A 73 -0.923 -5.401 -10.442 1.00 0.00 H new ATOM 0 HB3 MET A 73 -2.130 -4.708 -9.377 1.00 0.00 H new ATOM 0 HG2 MET A 73 -3.548 -4.601 -11.647 1.00 0.00 H new ATOM 0 HG3 MET A 73 -2.458 -5.893 -12.109 1.00 0.00 H new ATOM 0 HE1 MET A 73 -5.553 -5.683 -8.838 1.00 0.00 H new ATOM 0 HE2 MET A 73 -3.952 -5.779 -8.065 1.00 0.00 H new ATOM 0 HE3 MET A 73 -4.302 -4.478 -9.228 1.00 0.00 H new ATOM 1084 N TYR A 74 -2.680 -1.976 -9.344 1.00 0.00 N ATOM 1085 CA TYR A 74 -3.729 -1.044 -8.948 1.00 0.00 C ATOM 1086 C TYR A 74 -3.609 0.270 -9.715 1.00 0.00 C ATOM 1087 O TYR A 74 -4.566 0.725 -10.341 1.00 0.00 O ATOM 1088 CB TYR A 74 -3.662 -0.777 -7.443 1.00 0.00 C ATOM 1089 CG TYR A 74 -4.354 0.500 -7.023 1.00 0.00 C ATOM 1090 CD1 TYR A 74 -5.703 0.504 -6.689 1.00 0.00 C ATOM 1091 CD2 TYR A 74 -3.661 1.702 -6.962 1.00 0.00 C ATOM 1092 CE1 TYR A 74 -6.340 1.668 -6.305 1.00 0.00 C ATOM 1093 CE2 TYR A 74 -4.289 2.871 -6.578 1.00 0.00 C ATOM 1094 CZ TYR A 74 -5.629 2.849 -6.251 1.00 0.00 C ATOM 1095 OH TYR A 74 -6.259 4.011 -5.869 1.00 0.00 O ATOM 0 H TYR A 74 -2.079 -2.283 -8.580 1.00 0.00 H new ATOM 0 HA TYR A 74 -4.691 -1.497 -9.187 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -4.113 -1.616 -6.913 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -2.617 -0.732 -7.137 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -6.263 -0.419 -6.730 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -2.612 1.723 -7.219 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -7.389 1.654 -6.048 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -3.734 3.797 -6.534 1.00 0.00 H new ATOM 0 HH TYR A 74 -5.617 4.751 -5.883 1.00 0.00 H new ATOM 1105 N CYS A 75 -2.426 0.872 -9.660 1.00 0.00 N ATOM 1106 CA CYS A 75 -2.179 2.134 -10.350 1.00 0.00 C ATOM 1107 C CYS A 75 -2.695 2.080 -11.784 1.00 0.00 C ATOM 1108 O CYS A 75 -3.578 2.847 -12.165 1.00 0.00 O ATOM 1109 CB CYS A 75 -0.684 2.457 -10.345 1.00 0.00 C ATOM 1110 SG CYS A 75 -0.073 3.101 -8.769 1.00 0.00 S ATOM 0 H CYS A 75 -1.624 0.508 -9.146 1.00 0.00 H new ATOM 0 HA CYS A 75 -2.716 2.921 -9.820 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -0.127 1.554 -10.597 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -0.478 3.187 -11.128 1.00 0.00 H new ATOM 0 HG CYS A 75 0.146 2.114 -7.952 1.00 0.00 H new ATOM 1185 N GLY A 81 -9.754 4.115 -5.305 1.00 0.00 N ATOM 1186 CA GLY A 81 -9.756 3.713 -3.910 1.00 0.00 C ATOM 1187 C GLY A 81 -10.302 2.313 -3.711 1.00 0.00 C ATOM 1188 O GLY A 81 -11.232 2.107 -2.931 1.00 0.00 O ATOM 0 HA2 GLY A 81 -8.740 3.762 -3.519 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -10.354 4.418 -3.333 1.00 0.00 H new ATOM 1192 N SER A 82 -9.724 1.348 -4.419 1.00 0.00 N ATOM 1193 CA SER A 82 -10.162 -0.039 -4.321 1.00 0.00 C ATOM 1194 C SER A 82 -9.088 -0.986 -4.846 1.00 0.00 C ATOM 1195 O SER A 82 -8.448 -0.716 -5.863 1.00 0.00 O ATOM 1196 CB SER A 82 -11.463 -0.242 -5.101 1.00 0.00 C ATOM 1197 OG SER A 82 -12.526 0.494 -4.522 1.00 0.00 O ATOM 0 H SER A 82 -8.951 1.501 -5.067 1.00 0.00 H new ATOM 0 HA SER A 82 -10.338 -0.265 -3.269 1.00 0.00 H new ATOM 0 HB2 SER A 82 -11.322 0.070 -6.136 1.00 0.00 H new ATOM 0 HB3 SER A 82 -11.718 -1.302 -5.119 1.00 0.00 H new ATOM 0 HG SER A 82 -12.241 0.853 -3.656 1.00 0.00 H new ATOM 1203 N LEU A 83 -8.894 -2.098 -4.144 1.00 0.00 N ATOM 1204 CA LEU A 83 -7.897 -3.087 -4.538 1.00 0.00 C ATOM 1205 C LEU A 83 -8.542 -4.451 -4.761 1.00 0.00 C ATOM 1206 O LEU A 83 -9.173 -5.004 -3.861 1.00 0.00 O ATOM 1207 CB LEU A 83 -6.807 -3.194 -3.470 1.00 0.00 C ATOM 1208 CG LEU A 83 -5.522 -3.908 -3.892 1.00 0.00 C ATOM 1209 CD1 LEU A 83 -5.827 -5.320 -4.367 1.00 0.00 C ATOM 1210 CD2 LEU A 83 -4.807 -3.120 -4.980 1.00 0.00 C ATOM 0 H LEU A 83 -9.414 -2.337 -3.300 1.00 0.00 H new ATOM 0 HA LEU A 83 -7.448 -2.761 -5.476 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -6.548 -2.187 -3.141 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -7.222 -3.715 -2.607 1.00 0.00 H new ATOM 0 HG LEU A 83 -4.864 -3.973 -3.026 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -4.901 -5.812 -4.663 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -6.295 -5.883 -3.559 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -6.505 -5.279 -5.220 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -3.895 -3.643 -5.268 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -5.459 -3.024 -5.848 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -4.554 -2.129 -4.604 1.00 0.00 H new ATOM 1222 N GLN A 84 -8.377 -4.988 -5.966 1.00 0.00 N ATOM 1223 CA GLN A 84 -8.943 -6.289 -6.306 1.00 0.00 C ATOM 1224 C GLN A 84 -7.842 -7.327 -6.498 1.00 0.00 C ATOM 1225 O GLN A 84 -6.786 -7.031 -7.057 1.00 0.00 O ATOM 1226 CB GLN A 84 -9.789 -6.184 -7.575 1.00 0.00 C ATOM 1227 CG GLN A 84 -10.644 -7.413 -7.839 1.00 0.00 C ATOM 1228 CD GLN A 84 -11.160 -7.470 -9.264 1.00 0.00 C ATOM 1229 OE1 GLN A 84 -10.698 -6.731 -10.134 1.00 0.00 O ATOM 1230 NE2 GLN A 84 -12.122 -8.351 -9.511 1.00 0.00 N ATOM 0 H GLN A 84 -7.857 -4.543 -6.722 1.00 0.00 H new ATOM 0 HA GLN A 84 -9.579 -6.609 -5.480 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -10.437 -5.311 -7.499 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -9.131 -6.019 -8.428 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -10.059 -8.309 -7.632 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -11.489 -7.418 -7.150 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -12.476 -8.944 -8.760 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -12.507 -8.435 -10.452 1.00 0.00 H new ATOM 1239 N CYS A 85 -8.097 -8.545 -6.032 1.00 0.00 N ATOM 1240 CA CYS A 85 -7.128 -9.628 -6.152 1.00 0.00 C ATOM 1241 C CYS A 85 -7.133 -10.208 -7.563 1.00 0.00 C ATOM 1242 O CYS A 85 -8.139 -10.730 -8.043 1.00 0.00 O ATOM 1243 CB CYS A 85 -7.435 -10.729 -5.134 1.00 0.00 C ATOM 1244 SG CYS A 85 -6.146 -12.011 -5.016 1.00 0.00 S ATOM 0 H CYS A 85 -8.967 -8.807 -5.568 1.00 0.00 H new ATOM 0 HA CYS A 85 -6.137 -9.221 -5.949 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -7.571 -10.274 -4.153 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -8.380 -11.202 -5.400 1.00 0.00 H new ATOM 0 HG CYS A 85 -4.978 -11.446 -4.933 1.00 0.00 H new ATOM 1249 N PRO A 86 -5.981 -10.116 -8.244 1.00 0.00 N ATOM 1250 CA PRO A 86 -5.826 -10.627 -9.609 1.00 0.00 C ATOM 1251 C PRO A 86 -5.851 -12.151 -9.664 1.00 0.00 C ATOM 1252 O PRO A 86 -5.592 -12.748 -10.709 1.00 0.00 O ATOM 1253 CB PRO A 86 -4.453 -10.099 -10.032 1.00 0.00 C ATOM 1254 CG PRO A 86 -3.712 -9.907 -8.754 1.00 0.00 C ATOM 1255 CD PRO A 86 -4.742 -9.507 -7.734 1.00 0.00 C ATOM 0 HA PRO A 86 -6.640 -10.306 -10.259 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -3.941 -10.806 -10.685 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -4.541 -9.163 -10.583 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -3.204 -10.824 -8.456 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -2.947 -9.138 -8.858 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -4.490 -9.880 -6.741 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -4.830 -8.423 -7.655 1.00 0.00 H new ATOM 1263 N SER A 87 -6.165 -12.775 -8.533 1.00 0.00 N ATOM 1264 CA SER A 87 -6.220 -14.229 -8.452 1.00 0.00 C ATOM 1265 C SER A 87 -7.654 -14.708 -8.252 1.00 0.00 C ATOM 1266 O SER A 87 -8.224 -15.378 -9.114 1.00 0.00 O ATOM 1267 CB SER A 87 -5.338 -14.731 -7.307 1.00 0.00 C ATOM 1268 OG SER A 87 -5.304 -16.148 -7.273 1.00 0.00 O ATOM 0 H SER A 87 -6.385 -12.296 -7.660 1.00 0.00 H new ATOM 0 HA SER A 87 -5.848 -14.635 -9.393 1.00 0.00 H new ATOM 0 HB2 SER A 87 -4.327 -14.343 -7.426 1.00 0.00 H new ATOM 0 HB3 SER A 87 -5.716 -14.350 -6.358 1.00 0.00 H new ATOM 0 HG SER A 87 -4.733 -16.444 -6.534 1.00 0.00 H new ATOM 1274 N CYS A 88 -8.233 -14.361 -7.107 1.00 0.00 N ATOM 1275 CA CYS A 88 -9.601 -14.754 -6.790 1.00 0.00 C ATOM 1276 C CYS A 88 -10.595 -13.700 -7.270 1.00 0.00 C ATOM 1277 O CYS A 88 -11.805 -13.926 -7.271 1.00 0.00 O ATOM 1278 CB CYS A 88 -9.756 -14.968 -5.284 1.00 0.00 C ATOM 1279 SG CYS A 88 -9.295 -13.523 -4.275 1.00 0.00 S ATOM 0 H CYS A 88 -7.775 -13.808 -6.383 1.00 0.00 H new ATOM 0 HA CYS A 88 -9.813 -15.690 -7.307 1.00 0.00 H new ATOM 0 HB2 CYS A 88 -10.792 -15.231 -5.070 1.00 0.00 H new ATOM 0 HB3 CYS A 88 -9.143 -15.818 -4.984 1.00 0.00 H new ATOM 0 HG CYS A 88 -8.060 -13.199 -4.520 1.00 0.00 H new ATOM 1284 N LYS A 89 -10.075 -12.548 -7.679 1.00 0.00 N ATOM 1285 CA LYS A 89 -10.915 -11.459 -8.164 1.00 0.00 C ATOM 1286 C LYS A 89 -11.866 -10.979 -7.073 1.00 0.00 C ATOM 1287 O LYS A 89 -13.064 -10.811 -7.308 1.00 0.00 O ATOM 1288 CB LYS A 89 -11.713 -11.909 -9.390 1.00 0.00 C ATOM 1289 CG LYS A 89 -10.846 -12.240 -10.592 1.00 0.00 C ATOM 1290 CD LYS A 89 -10.540 -11.001 -11.417 1.00 0.00 C ATOM 1291 CE LYS A 89 -9.628 -11.324 -12.591 1.00 0.00 C ATOM 1292 NZ LYS A 89 -8.262 -11.712 -12.141 1.00 0.00 N ATOM 0 H LYS A 89 -9.076 -12.344 -7.684 1.00 0.00 H new ATOM 0 HA LYS A 89 -10.265 -10.630 -8.446 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -12.304 -12.786 -9.126 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -12.415 -11.122 -9.665 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -9.914 -12.694 -10.255 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -11.352 -12.977 -11.215 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -11.470 -10.569 -11.786 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -10.068 -10.249 -10.785 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -10.062 -12.135 -13.176 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -9.561 -10.457 -13.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -7.555 -11.138 -12.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -8.175 -11.551 -11.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -8.101 -12.718 -12.348 1.00 0.00 H new ATOM 1306 N THR A 90 -11.327 -10.757 -5.878 1.00 0.00 N ATOM 1307 CA THR A 90 -12.128 -10.296 -4.751 1.00 0.00 C ATOM 1308 C THR A 90 -11.898 -8.813 -4.483 1.00 0.00 C ATOM 1309 O THR A 90 -10.776 -8.390 -4.205 1.00 0.00 O ATOM 1310 CB THR A 90 -11.808 -11.093 -3.472 1.00 0.00 C ATOM 1311 OG1 THR A 90 -12.108 -12.479 -3.670 1.00 0.00 O ATOM 1312 CG2 THR A 90 -12.605 -10.561 -2.290 1.00 0.00 C ATOM 0 H THR A 90 -10.338 -10.889 -5.666 1.00 0.00 H new ATOM 0 HA THR A 90 -13.172 -10.456 -5.019 1.00 0.00 H new ATOM 0 HB THR A 90 -10.746 -10.979 -3.256 1.00 0.00 H new ATOM 0 HG1 THR A 90 -11.307 -12.945 -3.989 1.00 0.00 H new ATOM 0 HG21 THR A 90 -12.363 -11.139 -1.398 1.00 0.00 H new ATOM 0 HG22 THR A 90 -12.353 -9.514 -2.123 1.00 0.00 H new ATOM 0 HG23 THR A 90 -13.671 -10.649 -2.501 1.00 0.00 H new ATOM 1320 N ILE A 91 -12.967 -8.029 -4.569 1.00 0.00 N ATOM 1321 CA ILE A 91 -12.881 -6.593 -4.334 1.00 0.00 C ATOM 1322 C ILE A 91 -12.844 -6.281 -2.842 1.00 0.00 C ATOM 1323 O ILE A 91 -13.456 -6.982 -2.036 1.00 0.00 O ATOM 1324 CB ILE A 91 -14.066 -5.846 -4.974 1.00 0.00 C ATOM 1325 CG1 ILE A 91 -14.163 -6.181 -6.464 1.00 0.00 C ATOM 1326 CG2 ILE A 91 -13.917 -4.345 -4.772 1.00 0.00 C ATOM 1327 CD1 ILE A 91 -15.553 -6.001 -7.034 1.00 0.00 C ATOM 0 H ILE A 91 -13.903 -8.364 -4.800 1.00 0.00 H new ATOM 0 HA ILE A 91 -11.955 -6.253 -4.797 1.00 0.00 H new ATOM 0 HB ILE A 91 -14.986 -6.169 -4.487 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -13.468 -5.549 -7.016 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -13.847 -7.213 -6.618 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -14.762 -3.831 -5.230 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -13.891 -4.122 -3.705 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -12.991 -4.006 -5.236 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -15.548 -6.256 -8.094 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -16.250 -6.653 -6.507 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -15.865 -4.964 -6.912 1.00 0.00 H new ATOM 1339 N TYR A 92 -12.125 -5.225 -2.481 1.00 0.00 N ATOM 1340 CA TYR A 92 -12.008 -4.820 -1.085 1.00 0.00 C ATOM 1341 C TYR A 92 -12.706 -3.485 -0.845 1.00 0.00 C ATOM 1342 O TYR A 92 -13.314 -3.268 0.202 1.00 0.00 O ATOM 1343 CB TYR A 92 -10.536 -4.718 -0.684 1.00 0.00 C ATOM 1344 CG TYR A 92 -9.813 -6.046 -0.691 1.00 0.00 C ATOM 1345 CD1 TYR A 92 -9.802 -6.847 -1.826 1.00 0.00 C ATOM 1346 CD2 TYR A 92 -9.141 -6.499 0.437 1.00 0.00 C ATOM 1347 CE1 TYR A 92 -9.144 -8.061 -1.837 1.00 0.00 C ATOM 1348 CE2 TYR A 92 -8.478 -7.712 0.435 1.00 0.00 C ATOM 1349 CZ TYR A 92 -8.483 -8.489 -0.705 1.00 0.00 C ATOM 1350 OH TYR A 92 -7.825 -9.698 -0.711 1.00 0.00 O ATOM 0 H TYR A 92 -11.614 -4.633 -3.136 1.00 0.00 H new ATOM 0 HA TYR A 92 -12.493 -5.579 -0.471 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -10.029 -4.034 -1.365 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -10.469 -4.283 0.313 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -10.317 -6.514 -2.715 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -9.136 -5.893 1.331 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -9.147 -8.672 -2.728 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -7.959 -8.049 1.320 1.00 0.00 H new ATOM 0 HH TYR A 92 -8.401 -10.382 -1.112 1.00 0.00 H new