USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 585 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 5 LYS NZ :NH3+ -120:sc= 0.591 (180deg=-0.285) USER MOD Set 1.2: A 71 THR OG1 : rot 180:sc= -0.192! USER MOD Single : A 1 MET CE :methyl 134:sc= -0.314 (180deg=-1.53) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 MET CE :methyl -160:sc= -0.0212 (180deg=-0.44) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 39 MET CE :methyl -139:sc= -0.241 (180deg=-1.37) USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.618 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -166:sc= -0.0103 (180deg=-0.279) USER MOD Single : A 49 SER OG : rot 72:sc= 0.515 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ -163:sc= -0.0253 (180deg=-0.36) USER MOD Single : A 60 TYR OH : rot 150:sc= -0.193 USER MOD Single : A 64 GLN : amide:sc= -6.1! C(o=-6.1!,f=-4.2!) USER MOD Single : A 70 SER OG : rot 180:sc= -0.194 USER MOD Single : A 74 GLN : amide:sc= -0.333 K(o=-0.33,f=-1.8!) USER MOD Single : A 77 THR OG1 : rot -13:sc= 0.523! USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 71.844 0.529 -10.592 1.00 0.00 N ATOM 2 CA MET A 1 70.515 0.016 -10.158 1.00 0.00 C ATOM 3 C MET A 1 70.599 -1.488 -9.931 1.00 0.00 C ATOM 4 O MET A 1 70.183 -2.277 -10.779 1.00 0.00 O ATOM 5 CB MET A 1 69.478 0.319 -11.241 1.00 0.00 C ATOM 6 CG MET A 1 68.093 -0.116 -10.760 1.00 0.00 C ATOM 7 SD MET A 1 66.855 0.325 -12.004 1.00 0.00 S ATOM 8 CE MET A 1 67.423 -0.796 -13.309 1.00 0.00 C ATOM 0 H1 MET A 1 71.786 1.556 -10.747 1.00 0.00 H new ATOM 0 H2 MET A 1 72.551 0.329 -9.856 1.00 0.00 H new ATOM 0 H3 MET A 1 72.125 0.061 -11.477 1.00 0.00 H new ATOM 0 HA MET A 1 70.220 0.502 -9.228 1.00 0.00 H new ATOM 0 HB2 MET A 1 69.477 1.385 -11.470 1.00 0.00 H new ATOM 0 HB3 MET A 1 69.735 -0.204 -12.162 1.00 0.00 H new ATOM 0 HG2 MET A 1 68.079 -1.191 -10.583 1.00 0.00 H new ATOM 0 HG3 MET A 1 67.858 0.366 -9.811 1.00 0.00 H new ATOM 0 HE1 MET A 1 66.567 -1.316 -13.740 1.00 0.00 H new ATOM 0 HE2 MET A 1 67.929 -0.223 -14.086 1.00 0.00 H new ATOM 0 HE3 MET A 1 68.115 -1.525 -12.887 1.00 0.00 H new ATOM 20 N TYR A 2 71.140 -1.879 -8.780 1.00 0.00 N ATOM 21 CA TYR A 2 71.277 -3.291 -8.445 1.00 0.00 C ATOM 22 C TYR A 2 69.975 -3.803 -7.843 1.00 0.00 C ATOM 23 O TYR A 2 69.409 -3.177 -6.947 1.00 0.00 O ATOM 24 CB TYR A 2 72.423 -3.482 -7.443 1.00 0.00 C ATOM 25 CG TYR A 2 72.900 -4.929 -7.461 1.00 0.00 C ATOM 26 CD1 TYR A 2 72.105 -5.942 -6.899 1.00 0.00 C ATOM 27 CD2 TYR A 2 74.138 -5.256 -8.040 1.00 0.00 C ATOM 28 CE1 TYR A 2 72.549 -7.270 -6.914 1.00 0.00 C ATOM 29 CE2 TYR A 2 74.573 -6.585 -8.055 1.00 0.00 C ATOM 30 CZ TYR A 2 73.782 -7.590 -7.492 1.00 0.00 C ATOM 31 OH TYR A 2 74.214 -8.900 -7.516 1.00 0.00 O ATOM 0 H TYR A 2 71.489 -1.239 -8.067 1.00 0.00 H new ATOM 0 HA TYR A 2 71.501 -3.854 -9.351 1.00 0.00 H new ATOM 0 HB2 TYR A 2 73.249 -2.816 -7.692 1.00 0.00 H new ATOM 0 HB3 TYR A 2 72.088 -3.214 -6.441 1.00 0.00 H new ATOM 0 HD1 TYR A 2 71.151 -5.696 -6.455 1.00 0.00 H new ATOM 0 HD2 TYR A 2 74.753 -4.481 -8.473 1.00 0.00 H new ATOM 0 HE1 TYR A 2 71.939 -8.048 -6.479 1.00 0.00 H new ATOM 0 HE2 TYR A 2 75.523 -6.835 -8.503 1.00 0.00 H new ATOM 0 HH TYR A 2 75.089 -8.948 -7.954 1.00 0.00 H new ATOM 41 N GLU A 3 69.503 -4.940 -8.343 1.00 0.00 N ATOM 42 CA GLU A 3 68.259 -5.528 -7.848 1.00 0.00 C ATOM 43 C GLU A 3 68.563 -6.696 -6.919 1.00 0.00 C ATOM 44 O GLU A 3 69.079 -7.724 -7.359 1.00 0.00 O ATOM 45 CB GLU A 3 67.418 -6.025 -9.031 1.00 0.00 C ATOM 46 CG GLU A 3 67.110 -4.855 -9.982 1.00 0.00 C ATOM 47 CD GLU A 3 68.300 -4.588 -10.902 1.00 0.00 C ATOM 48 OE1 GLU A 3 69.314 -5.244 -10.734 1.00 0.00 O ATOM 49 OE2 GLU A 3 68.168 -3.746 -11.775 1.00 0.00 O ATOM 0 H GLU A 3 69.958 -5.471 -9.086 1.00 0.00 H new ATOM 0 HA GLU A 3 67.705 -4.768 -7.297 1.00 0.00 H new ATOM 0 HB2 GLU A 3 67.954 -6.809 -9.566 1.00 0.00 H new ATOM 0 HB3 GLU A 3 66.489 -6.465 -8.669 1.00 0.00 H new ATOM 0 HG2 GLU A 3 66.227 -5.085 -10.577 1.00 0.00 H new ATOM 0 HG3 GLU A 3 66.881 -3.959 -9.404 1.00 0.00 H new ATOM 56 N PHE A 4 68.239 -6.542 -5.637 1.00 0.00 N ATOM 57 CA PHE A 4 68.487 -7.618 -4.676 1.00 0.00 C ATOM 58 C PHE A 4 67.387 -8.668 -4.784 1.00 0.00 C ATOM 59 O PHE A 4 66.284 -8.488 -4.269 1.00 0.00 O ATOM 60 CB PHE A 4 68.566 -7.056 -3.233 1.00 0.00 C ATOM 61 CG PHE A 4 68.411 -8.162 -2.187 1.00 0.00 C ATOM 62 CD1 PHE A 4 69.315 -9.243 -2.137 1.00 0.00 C ATOM 63 CD2 PHE A 4 67.355 -8.104 -1.253 1.00 0.00 C ATOM 64 CE1 PHE A 4 69.157 -10.247 -1.176 1.00 0.00 C ATOM 65 CE2 PHE A 4 67.203 -9.114 -0.296 1.00 0.00 C ATOM 66 CZ PHE A 4 68.104 -10.184 -0.259 1.00 0.00 C ATOM 0 H PHE A 4 67.813 -5.703 -5.244 1.00 0.00 H new ATOM 0 HA PHE A 4 69.445 -8.084 -4.908 1.00 0.00 H new ATOM 0 HB2 PHE A 4 69.522 -6.551 -3.091 1.00 0.00 H new ATOM 0 HB3 PHE A 4 67.786 -6.308 -3.090 1.00 0.00 H new ATOM 0 HD1 PHE A 4 70.131 -9.296 -2.842 1.00 0.00 H new ATOM 0 HD2 PHE A 4 66.661 -7.277 -1.277 1.00 0.00 H new ATOM 0 HE1 PHE A 4 69.851 -11.074 -1.142 1.00 0.00 H new ATOM 0 HE2 PHE A 4 66.390 -9.067 0.414 1.00 0.00 H new ATOM 0 HZ PHE A 4 67.986 -10.963 0.480 1.00 0.00 H new ATOM 76 N LYS A 5 67.709 -9.763 -5.467 1.00 0.00 N ATOM 77 CA LYS A 5 66.766 -10.864 -5.664 1.00 0.00 C ATOM 78 C LYS A 5 67.255 -12.085 -4.898 1.00 0.00 C ATOM 79 O LYS A 5 68.457 -12.311 -4.795 1.00 0.00 O ATOM 80 CB LYS A 5 66.667 -11.214 -7.152 1.00 0.00 C ATOM 81 CG LYS A 5 66.041 -10.052 -7.926 1.00 0.00 C ATOM 82 CD LYS A 5 66.005 -10.409 -9.413 1.00 0.00 C ATOM 83 CE LYS A 5 65.417 -9.248 -10.216 1.00 0.00 C ATOM 84 NZ LYS A 5 63.978 -9.086 -9.875 1.00 0.00 N ATOM 0 H LYS A 5 68.622 -9.913 -5.897 1.00 0.00 H new ATOM 0 HA LYS A 5 65.784 -10.561 -5.301 1.00 0.00 H new ATOM 0 HB2 LYS A 5 67.658 -11.433 -7.549 1.00 0.00 H new ATOM 0 HB3 LYS A 5 66.066 -12.114 -7.283 1.00 0.00 H new ATOM 0 HG2 LYS A 5 65.033 -9.856 -7.561 1.00 0.00 H new ATOM 0 HG3 LYS A 5 66.619 -9.141 -7.771 1.00 0.00 H new ATOM 0 HD2 LYS A 5 67.012 -10.633 -9.766 1.00 0.00 H new ATOM 0 HD3 LYS A 5 65.407 -11.307 -9.565 1.00 0.00 H new ATOM 0 HE2 LYS A 5 65.959 -8.328 -9.996 1.00 0.00 H new ATOM 0 HE3 LYS A 5 65.529 -9.437 -11.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 63.402 -9.209 -10.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 63.706 -9.800 -9.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 63.819 -8.135 -9.485 1.00 0.00 H new ATOM 98 N LEU A 6 66.325 -12.871 -4.375 1.00 0.00 N ATOM 99 CA LEU A 6 66.705 -14.081 -3.626 1.00 0.00 C ATOM 100 C LEU A 6 67.441 -15.060 -4.565 1.00 0.00 C ATOM 101 O LEU A 6 66.814 -15.616 -5.467 1.00 0.00 O ATOM 102 CB LEU A 6 65.461 -14.798 -3.012 1.00 0.00 C ATOM 103 CG LEU A 6 65.230 -14.354 -1.550 1.00 0.00 C ATOM 104 CD1 LEU A 6 63.795 -14.694 -1.130 1.00 0.00 C ATOM 105 CD2 LEU A 6 66.195 -15.092 -0.607 1.00 0.00 C ATOM 0 H LEU A 6 65.321 -12.707 -4.447 1.00 0.00 H new ATOM 0 HA LEU A 6 67.357 -13.774 -2.809 1.00 0.00 H new ATOM 0 HB2 LEU A 6 64.577 -14.573 -3.608 1.00 0.00 H new ATOM 0 HB3 LEU A 6 65.604 -15.878 -3.049 1.00 0.00 H new ATOM 0 HG LEU A 6 65.403 -13.280 -1.486 1.00 0.00 H new ATOM 0 HD11 LEU A 6 63.634 -14.380 -0.099 1.00 0.00 H new ATOM 0 HD12 LEU A 6 63.092 -14.174 -1.781 1.00 0.00 H new ATOM 0 HD13 LEU A 6 63.637 -15.770 -1.211 1.00 0.00 H new ATOM 0 HD21 LEU A 6 66.020 -14.768 0.419 1.00 0.00 H new ATOM 0 HD22 LEU A 6 66.027 -16.166 -0.682 1.00 0.00 H new ATOM 0 HD23 LEU A 6 67.223 -14.865 -0.888 1.00 0.00 H new ATOM 117 N PRO A 7 68.731 -15.309 -4.391 1.00 0.00 N ATOM 118 CA PRO A 7 69.461 -16.265 -5.284 1.00 0.00 C ATOM 119 C PRO A 7 68.840 -17.659 -5.259 1.00 0.00 C ATOM 120 O PRO A 7 68.312 -18.099 -4.238 1.00 0.00 O ATOM 121 CB PRO A 7 70.901 -16.296 -4.732 1.00 0.00 C ATOM 122 CG PRO A 7 71.036 -15.065 -3.896 1.00 0.00 C ATOM 123 CD PRO A 7 69.637 -14.741 -3.365 1.00 0.00 C ATOM 0 HA PRO A 7 69.419 -15.948 -6.326 1.00 0.00 H new ATOM 0 HB2 PRO A 7 71.074 -17.194 -4.139 1.00 0.00 H new ATOM 0 HB3 PRO A 7 71.631 -16.303 -5.541 1.00 0.00 H new ATOM 0 HG2 PRO A 7 71.734 -15.229 -3.075 1.00 0.00 H new ATOM 0 HG3 PRO A 7 71.428 -14.237 -4.486 1.00 0.00 H new ATOM 0 HD2 PRO A 7 69.466 -15.191 -2.387 1.00 0.00 H new ATOM 0 HD3 PRO A 7 69.491 -13.667 -3.252 1.00 0.00 H new ATOM 221 N GLU A 15 60.109 -20.768 -1.799 1.00 0.00 N ATOM 222 CA GLU A 15 59.119 -19.707 -1.670 1.00 0.00 C ATOM 223 C GLU A 15 59.652 -18.598 -0.774 1.00 0.00 C ATOM 224 O GLU A 15 60.489 -18.843 0.096 1.00 0.00 O ATOM 225 CB GLU A 15 57.814 -20.270 -1.102 1.00 0.00 C ATOM 226 CG GLU A 15 56.763 -19.162 -1.010 1.00 0.00 C ATOM 227 CD GLU A 15 55.440 -19.745 -0.530 1.00 0.00 C ATOM 228 OE1 GLU A 15 55.456 -20.467 0.453 1.00 0.00 O ATOM 229 OE2 GLU A 15 54.428 -19.462 -1.152 1.00 0.00 O ATOM 0 HA GLU A 15 58.918 -19.291 -2.657 1.00 0.00 H new ATOM 0 HB2 GLU A 15 57.449 -21.077 -1.738 1.00 0.00 H new ATOM 0 HB3 GLU A 15 57.992 -20.697 -0.115 1.00 0.00 H new ATOM 0 HG2 GLU A 15 57.099 -18.385 -0.323 1.00 0.00 H new ATOM 0 HG3 GLU A 15 56.631 -18.691 -1.984 1.00 0.00 H new ATOM 236 N GLY A 16 59.182 -17.368 -0.993 1.00 0.00 N ATOM 237 CA GLY A 16 59.639 -16.238 -0.192 1.00 0.00 C ATOM 238 C GLY A 16 58.662 -15.953 0.942 1.00 0.00 C ATOM 239 O GLY A 16 57.453 -16.006 0.745 1.00 0.00 O ATOM 0 H GLY A 16 58.494 -17.134 -1.709 1.00 0.00 H new ATOM 0 HA2 GLY A 16 60.627 -16.451 0.217 1.00 0.00 H new ATOM 0 HA3 GLY A 16 59.739 -15.355 -0.823 1.00 0.00 H new ATOM 243 N GLU A 17 59.186 -15.640 2.123 1.00 0.00 N ATOM 244 CA GLU A 17 58.345 -15.330 3.274 1.00 0.00 C ATOM 245 C GLU A 17 59.105 -14.397 4.204 1.00 0.00 C ATOM 246 O GLU A 17 60.158 -14.756 4.731 1.00 0.00 O ATOM 247 CB GLU A 17 57.961 -16.610 4.015 1.00 0.00 C ATOM 248 CG GLU A 17 57.045 -16.266 5.192 1.00 0.00 C ATOM 249 CD GLU A 17 56.588 -17.536 5.902 1.00 0.00 C ATOM 250 OE1 GLU A 17 56.744 -18.605 5.335 1.00 0.00 O ATOM 251 OE2 GLU A 17 56.087 -17.416 7.008 1.00 0.00 O ATOM 0 H GLU A 17 60.188 -15.594 2.308 1.00 0.00 H new ATOM 0 HA GLU A 17 57.430 -14.846 2.933 1.00 0.00 H new ATOM 0 HB2 GLU A 17 57.456 -17.297 3.337 1.00 0.00 H new ATOM 0 HB3 GLU A 17 58.857 -17.117 4.374 1.00 0.00 H new ATOM 0 HG2 GLU A 17 57.572 -15.620 5.894 1.00 0.00 H new ATOM 0 HG3 GLU A 17 56.178 -15.710 4.835 1.00 0.00 H new ATOM 258 N ILE A 18 58.592 -13.185 4.371 1.00 0.00 N ATOM 259 CA ILE A 18 59.257 -12.180 5.208 1.00 0.00 C ATOM 260 C ILE A 18 58.589 -12.052 6.571 1.00 0.00 C ATOM 261 O ILE A 18 57.416 -11.688 6.669 1.00 0.00 O ATOM 262 CB ILE A 18 59.224 -10.824 4.486 1.00 0.00 C ATOM 263 CG1 ILE A 18 60.070 -10.897 3.195 1.00 0.00 C ATOM 264 CG2 ILE A 18 59.766 -9.727 5.409 1.00 0.00 C ATOM 265 CD1 ILE A 18 61.570 -10.707 3.499 1.00 0.00 C ATOM 0 H ILE A 18 57.722 -12.870 3.943 1.00 0.00 H new ATOM 0 HA ILE A 18 60.287 -12.497 5.372 1.00 0.00 H new ATOM 0 HB ILE A 18 58.194 -10.585 4.222 1.00 0.00 H new ATOM 0 HG12 ILE A 18 59.914 -11.860 2.709 1.00 0.00 H new ATOM 0 HG13 ILE A 18 59.738 -10.130 2.496 1.00 0.00 H new ATOM 0 HG21 ILE A 18 59.739 -8.769 4.890 1.00 0.00 H new ATOM 0 HG22 ILE A 18 59.151 -9.670 6.307 1.00 0.00 H new ATOM 0 HG23 ILE A 18 60.794 -9.960 5.687 1.00 0.00 H new ATOM 0 HD11 ILE A 18 62.139 -10.763 2.571 1.00 0.00 H new ATOM 0 HD12 ILE A 18 61.727 -9.733 3.962 1.00 0.00 H new ATOM 0 HD13 ILE A 18 61.906 -11.490 4.179 1.00 0.00 H new ATOM 277 N VAL A 19 59.353 -12.349 7.623 1.00 0.00 N ATOM 278 CA VAL A 19 58.842 -12.264 8.988 1.00 0.00 C ATOM 279 C VAL A 19 59.130 -10.894 9.608 1.00 0.00 C ATOM 280 O VAL A 19 58.300 -10.363 10.344 1.00 0.00 O ATOM 281 CB VAL A 19 59.484 -13.355 9.850 1.00 0.00 C ATOM 282 CG1 VAL A 19 60.996 -13.133 9.904 1.00 0.00 C ATOM 283 CG2 VAL A 19 58.906 -13.293 11.268 1.00 0.00 C ATOM 0 H VAL A 19 60.325 -12.650 7.555 1.00 0.00 H new ATOM 0 HA VAL A 19 57.762 -12.404 8.951 1.00 0.00 H new ATOM 0 HB VAL A 19 59.274 -14.333 9.417 1.00 0.00 H new ATOM 0 HG11 VAL A 19 61.456 -13.908 10.517 1.00 0.00 H new ATOM 0 HG12 VAL A 19 61.406 -13.177 8.895 1.00 0.00 H new ATOM 0 HG13 VAL A 19 61.205 -12.155 10.338 1.00 0.00 H new ATOM 0 HG21 VAL A 19 59.363 -14.070 11.881 1.00 0.00 H new ATOM 0 HG22 VAL A 19 59.115 -12.316 11.704 1.00 0.00 H new ATOM 0 HG23 VAL A 19 57.828 -13.449 11.229 1.00 0.00 H new ATOM 293 N ARG A 20 60.325 -10.341 9.353 1.00 0.00 N ATOM 294 CA ARG A 20 60.698 -9.045 9.946 1.00 0.00 C ATOM 295 C ARG A 20 61.557 -8.188 9.001 1.00 0.00 C ATOM 296 O ARG A 20 62.506 -8.679 8.389 1.00 0.00 O ATOM 297 CB ARG A 20 61.488 -9.314 11.238 1.00 0.00 C ATOM 298 CG ARG A 20 61.808 -7.998 11.961 1.00 0.00 C ATOM 299 CD ARG A 20 62.684 -8.282 13.181 1.00 0.00 C ATOM 300 NE ARG A 20 61.945 -9.064 14.167 1.00 0.00 N ATOM 301 CZ ARG A 20 61.112 -8.480 15.022 1.00 0.00 C ATOM 302 NH1 ARG A 20 60.952 -7.184 14.996 1.00 0.00 N ATOM 303 NH2 ARG A 20 60.452 -9.199 15.887 1.00 0.00 N ATOM 0 H ARG A 20 61.037 -10.759 8.754 1.00 0.00 H new ATOM 0 HA ARG A 20 59.782 -8.489 10.144 1.00 0.00 H new ATOM 0 HB2 ARG A 20 60.910 -9.965 11.895 1.00 0.00 H new ATOM 0 HB3 ARG A 20 62.413 -9.840 11.002 1.00 0.00 H new ATOM 0 HG2 ARG A 20 62.321 -7.315 11.284 1.00 0.00 H new ATOM 0 HG3 ARG A 20 60.885 -7.507 12.270 1.00 0.00 H new ATOM 0 HD2 ARG A 20 63.580 -8.823 12.876 1.00 0.00 H new ATOM 0 HD3 ARG A 20 63.015 -7.343 13.626 1.00 0.00 H new ATOM 0 HE ARG A 20 62.070 -10.076 14.200 1.00 0.00 H new ATOM 0 HH11 ARG A 20 61.466 -6.620 14.319 1.00 0.00 H new ATOM 0 HH12 ARG A 20 60.313 -6.736 15.652 1.00 0.00 H new ATOM 0 HH21 ARG A 20 60.575 -10.211 15.908 1.00 0.00 H new ATOM 0 HH22 ARG A 20 59.813 -8.749 16.542 1.00 0.00 H new ATOM 317 N TRP A 21 61.244 -6.883 8.945 1.00 0.00 N ATOM 318 CA TRP A 21 62.012 -5.917 8.137 1.00 0.00 C ATOM 319 C TRP A 21 62.767 -4.983 9.096 1.00 0.00 C ATOM 320 O TRP A 21 62.254 -4.665 10.169 1.00 0.00 O ATOM 321 CB TRP A 21 61.073 -5.043 7.260 1.00 0.00 C ATOM 322 CG TRP A 21 60.741 -5.684 5.944 1.00 0.00 C ATOM 323 CD1 TRP A 21 59.487 -6.004 5.558 1.00 0.00 C ATOM 324 CD2 TRP A 21 61.615 -6.031 4.818 1.00 0.00 C ATOM 325 NE1 TRP A 21 59.528 -6.543 4.287 1.00 0.00 N ATOM 326 CE2 TRP A 21 60.813 -6.585 3.786 1.00 0.00 C ATOM 327 CE3 TRP A 21 63.005 -5.936 4.585 1.00 0.00 C ATOM 328 CZ2 TRP A 21 61.365 -7.019 2.577 1.00 0.00 C ATOM 329 CZ3 TRP A 21 63.556 -6.367 3.365 1.00 0.00 C ATOM 330 CH2 TRP A 21 62.740 -6.909 2.369 1.00 0.00 C ATOM 0 H TRP A 21 60.461 -6.470 9.452 1.00 0.00 H new ATOM 0 HA TRP A 21 62.691 -6.469 7.487 1.00 0.00 H new ATOM 0 HB2 TRP A 21 60.150 -4.848 7.807 1.00 0.00 H new ATOM 0 HB3 TRP A 21 61.546 -4.078 7.079 1.00 0.00 H new ATOM 0 HD1 TRP A 21 58.594 -5.861 6.149 1.00 0.00 H new ATOM 0 HE1 TRP A 21 58.706 -6.871 3.779 1.00 0.00 H new ATOM 0 HE3 TRP A 21 63.650 -5.529 5.350 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 60.731 -7.437 1.809 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 64.619 -6.278 3.197 1.00 0.00 H new ATOM 0 HH2 TRP A 21 63.174 -7.243 1.438 1.00 0.00 H new ATOM 341 N ASP A 22 63.968 -4.525 8.712 1.00 0.00 N ATOM 342 CA ASP A 22 64.738 -3.605 9.570 1.00 0.00 C ATOM 343 C ASP A 22 65.232 -2.392 8.781 1.00 0.00 C ATOM 344 O ASP A 22 66.243 -1.781 9.133 1.00 0.00 O ATOM 345 CB ASP A 22 65.929 -4.337 10.192 1.00 0.00 C ATOM 346 CG ASP A 22 66.687 -3.411 11.137 1.00 0.00 C ATOM 347 OD1 ASP A 22 66.177 -2.340 11.426 1.00 0.00 O ATOM 348 OD2 ASP A 22 67.768 -3.787 11.562 1.00 0.00 O ATOM 0 H ASP A 22 64.422 -4.769 7.832 1.00 0.00 H new ATOM 0 HA ASP A 22 64.076 -3.252 10.360 1.00 0.00 H new ATOM 0 HB2 ASP A 22 65.581 -5.216 10.735 1.00 0.00 H new ATOM 0 HB3 ASP A 22 66.597 -4.692 9.407 1.00 0.00 H new ATOM 353 N VAL A 23 64.512 -2.035 7.717 1.00 0.00 N ATOM 354 CA VAL A 23 64.887 -0.883 6.891 1.00 0.00 C ATOM 355 C VAL A 23 63.657 -0.047 6.532 1.00 0.00 C ATOM 356 O VAL A 23 62.536 -0.554 6.505 1.00 0.00 O ATOM 357 CB VAL A 23 65.591 -1.377 5.616 1.00 0.00 C ATOM 358 CG1 VAL A 23 66.615 -2.456 6.002 1.00 0.00 C ATOM 359 CG2 VAL A 23 64.559 -1.961 4.634 1.00 0.00 C ATOM 0 H VAL A 23 63.671 -2.522 7.407 1.00 0.00 H new ATOM 0 HA VAL A 23 65.569 -0.248 7.458 1.00 0.00 H new ATOM 0 HB VAL A 23 66.098 -0.543 5.131 1.00 0.00 H new ATOM 0 HG11 VAL A 23 67.121 -2.815 5.106 1.00 0.00 H new ATOM 0 HG12 VAL A 23 67.348 -2.033 6.688 1.00 0.00 H new ATOM 0 HG13 VAL A 23 66.103 -3.287 6.486 1.00 0.00 H new ATOM 0 HG21 VAL A 23 65.068 -2.308 3.735 1.00 0.00 H new ATOM 0 HG22 VAL A 23 64.042 -2.798 5.104 1.00 0.00 H new ATOM 0 HG23 VAL A 23 63.835 -1.191 4.367 1.00 0.00 H new ATOM 369 N LYS A 24 63.878 1.239 6.254 1.00 0.00 N ATOM 370 CA LYS A 24 62.782 2.143 5.894 1.00 0.00 C ATOM 371 C LYS A 24 63.213 3.127 4.805 1.00 0.00 C ATOM 372 O LYS A 24 64.375 3.528 4.736 1.00 0.00 O ATOM 373 CB LYS A 24 62.324 2.923 7.129 1.00 0.00 C ATOM 374 CG LYS A 24 61.696 1.962 8.141 1.00 0.00 C ATOM 375 CD LYS A 24 61.229 2.740 9.372 1.00 0.00 C ATOM 376 CE LYS A 24 60.595 1.770 10.370 1.00 0.00 C ATOM 377 NZ LYS A 24 60.178 2.512 11.592 1.00 0.00 N ATOM 0 H LYS A 24 64.799 1.677 6.271 1.00 0.00 H new ATOM 0 HA LYS A 24 61.959 1.539 5.511 1.00 0.00 H new ATOM 0 HB2 LYS A 24 63.171 3.439 7.580 1.00 0.00 H new ATOM 0 HB3 LYS A 24 61.602 3.687 6.842 1.00 0.00 H new ATOM 0 HG2 LYS A 24 60.853 1.441 7.687 1.00 0.00 H new ATOM 0 HG3 LYS A 24 62.421 1.202 8.433 1.00 0.00 H new ATOM 0 HD2 LYS A 24 62.072 3.255 9.833 1.00 0.00 H new ATOM 0 HD3 LYS A 24 60.508 3.505 9.082 1.00 0.00 H new ATOM 0 HE2 LYS A 24 59.733 1.280 9.918 1.00 0.00 H new ATOM 0 HE3 LYS A 24 61.306 0.987 10.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 59.747 1.851 12.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 61.010 2.960 12.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 59.485 3.244 11.334 1.00 0.00 H new ATOM 391 N GLU A 25 62.260 3.499 3.954 1.00 0.00 N ATOM 392 CA GLU A 25 62.525 4.435 2.860 1.00 0.00 C ATOM 393 C GLU A 25 63.128 5.747 3.364 1.00 0.00 C ATOM 394 O GLU A 25 62.713 6.281 4.391 1.00 0.00 O ATOM 395 CB GLU A 25 61.220 4.741 2.126 1.00 0.00 C ATOM 396 CG GLU A 25 60.756 3.493 1.382 1.00 0.00 C ATOM 397 CD GLU A 25 59.425 3.766 0.691 1.00 0.00 C ATOM 398 OE1 GLU A 25 58.943 4.881 0.802 1.00 0.00 O ATOM 399 OE2 GLU A 25 58.911 2.862 0.060 1.00 0.00 O ATOM 0 H GLU A 25 61.296 3.168 3.999 1.00 0.00 H new ATOM 0 HA GLU A 25 63.245 3.965 2.190 1.00 0.00 H new ATOM 0 HB2 GLU A 25 60.457 5.060 2.835 1.00 0.00 H new ATOM 0 HB3 GLU A 25 61.368 5.563 1.425 1.00 0.00 H new ATOM 0 HG2 GLU A 25 61.504 3.199 0.646 1.00 0.00 H new ATOM 0 HG3 GLU A 25 60.650 2.662 2.079 1.00 0.00 H new ATOM 406 N GLY A 26 64.092 6.274 2.609 1.00 0.00 N ATOM 407 CA GLY A 26 64.733 7.542 2.955 1.00 0.00 C ATOM 408 C GLY A 26 65.864 7.361 3.964 1.00 0.00 C ATOM 409 O GLY A 26 66.445 8.341 4.432 1.00 0.00 O ATOM 0 H GLY A 26 64.446 5.843 1.755 1.00 0.00 H new ATOM 0 HA2 GLY A 26 65.126 8.007 2.051 1.00 0.00 H new ATOM 0 HA3 GLY A 26 63.988 8.223 3.366 1.00 0.00 H new ATOM 413 N ASP A 27 66.183 6.114 4.300 1.00 0.00 N ATOM 414 CA ASP A 27 67.256 5.831 5.261 1.00 0.00 C ATOM 415 C ASP A 27 68.478 5.242 4.570 1.00 0.00 C ATOM 416 O ASP A 27 68.382 4.241 3.860 1.00 0.00 O ATOM 417 CB ASP A 27 66.767 4.858 6.333 1.00 0.00 C ATOM 418 CG ASP A 27 67.745 4.840 7.506 1.00 0.00 C ATOM 419 OD1 ASP A 27 68.143 5.911 7.935 1.00 0.00 O ATOM 420 OD2 ASP A 27 68.068 3.758 7.967 1.00 0.00 O ATOM 0 H ASP A 27 65.720 5.285 3.926 1.00 0.00 H new ATOM 0 HA ASP A 27 67.538 6.776 5.724 1.00 0.00 H new ATOM 0 HB2 ASP A 27 65.776 5.153 6.679 1.00 0.00 H new ATOM 0 HB3 ASP A 27 66.673 3.857 5.912 1.00 0.00 H new ATOM 425 N MET A 28 69.630 5.872 4.788 1.00 0.00 N ATOM 426 CA MET A 28 70.876 5.399 4.189 1.00 0.00 C ATOM 427 C MET A 28 71.504 4.322 5.067 1.00 0.00 C ATOM 428 O MET A 28 71.667 4.506 6.273 1.00 0.00 O ATOM 429 CB MET A 28 71.858 6.564 4.021 1.00 0.00 C ATOM 430 CG MET A 28 71.296 7.553 2.998 1.00 0.00 C ATOM 431 SD MET A 28 72.489 8.889 2.715 1.00 0.00 S ATOM 432 CE MET A 28 72.251 9.773 4.278 1.00 0.00 C ATOM 0 H MET A 28 69.727 6.704 5.370 1.00 0.00 H new ATOM 0 HA MET A 28 70.653 4.977 3.209 1.00 0.00 H new ATOM 0 HB2 MET A 28 72.016 7.062 4.977 1.00 0.00 H new ATOM 0 HB3 MET A 28 72.828 6.193 3.691 1.00 0.00 H new ATOM 0 HG2 MET A 28 71.083 7.039 2.061 1.00 0.00 H new ATOM 0 HG3 MET A 28 70.353 7.965 3.357 1.00 0.00 H new ATOM 0 HE1 MET A 28 72.610 10.797 4.175 1.00 0.00 H new ATOM 0 HE2 MET A 28 71.191 9.783 4.532 1.00 0.00 H new ATOM 0 HE3 MET A 28 72.809 9.271 5.069 1.00 0.00 H new ATOM 442 N VAL A 29 71.852 3.193 4.449 1.00 0.00 N ATOM 443 CA VAL A 29 72.461 2.077 5.180 1.00 0.00 C ATOM 444 C VAL A 29 73.714 1.591 4.457 1.00 0.00 C ATOM 445 O VAL A 29 73.726 1.445 3.235 1.00 0.00 O ATOM 446 CB VAL A 29 71.447 0.936 5.320 1.00 0.00 C ATOM 447 CG1 VAL A 29 72.047 -0.204 6.150 1.00 0.00 C ATOM 448 CG2 VAL A 29 70.191 1.459 6.020 1.00 0.00 C ATOM 0 H VAL A 29 71.725 3.026 3.451 1.00 0.00 H new ATOM 0 HA VAL A 29 72.750 2.418 6.174 1.00 0.00 H new ATOM 0 HB VAL A 29 71.193 0.562 4.328 1.00 0.00 H new ATOM 0 HG11 VAL A 29 71.318 -1.009 6.243 1.00 0.00 H new ATOM 0 HG12 VAL A 29 72.943 -0.581 5.657 1.00 0.00 H new ATOM 0 HG13 VAL A 29 72.307 0.166 7.142 1.00 0.00 H new ATOM 0 HG21 VAL A 29 69.467 0.650 6.121 1.00 0.00 H new ATOM 0 HG22 VAL A 29 70.455 1.835 7.008 1.00 0.00 H new ATOM 0 HG23 VAL A 29 69.754 2.265 5.430 1.00 0.00 H new ATOM 458 N GLU A 30 74.776 1.356 5.223 1.00 0.00 N ATOM 459 CA GLU A 30 76.048 0.899 4.660 1.00 0.00 C ATOM 460 C GLU A 30 76.117 -0.629 4.633 1.00 0.00 C ATOM 461 O GLU A 30 75.439 -1.306 5.405 1.00 0.00 O ATOM 462 CB GLU A 30 77.203 1.451 5.498 1.00 0.00 C ATOM 463 CG GLU A 30 77.285 2.968 5.319 1.00 0.00 C ATOM 464 CD GLU A 30 78.362 3.542 6.232 1.00 0.00 C ATOM 465 OE1 GLU A 30 79.020 2.763 6.904 1.00 0.00 O ATOM 466 OE2 GLU A 30 78.505 4.754 6.259 1.00 0.00 O ATOM 0 H GLU A 30 74.783 1.474 6.236 1.00 0.00 H new ATOM 0 HA GLU A 30 76.125 1.264 3.636 1.00 0.00 H new ATOM 0 HB2 GLU A 30 77.053 1.206 6.549 1.00 0.00 H new ATOM 0 HB3 GLU A 30 78.141 0.987 5.193 1.00 0.00 H new ATOM 0 HG2 GLU A 30 77.511 3.208 4.280 1.00 0.00 H new ATOM 0 HG3 GLU A 30 76.321 3.422 5.549 1.00 0.00 H new ATOM 473 N LYS A 31 76.950 -1.159 3.738 1.00 0.00 N ATOM 474 CA LYS A 31 77.114 -2.608 3.603 1.00 0.00 C ATOM 475 C LYS A 31 77.641 -3.222 4.898 1.00 0.00 C ATOM 476 O LYS A 31 78.625 -2.744 5.460 1.00 0.00 O ATOM 477 CB LYS A 31 78.099 -2.898 2.467 1.00 0.00 C ATOM 478 CG LYS A 31 78.176 -4.406 2.218 1.00 0.00 C ATOM 479 CD LYS A 31 79.107 -4.691 1.038 1.00 0.00 C ATOM 480 CE LYS A 31 79.153 -6.200 0.794 1.00 0.00 C ATOM 481 NZ LYS A 31 80.012 -6.504 -0.385 1.00 0.00 N ATOM 0 H LYS A 31 77.521 -0.609 3.096 1.00 0.00 H new ATOM 0 HA LYS A 31 76.142 -3.049 3.383 1.00 0.00 H new ATOM 0 HB2 LYS A 31 77.781 -2.386 1.559 1.00 0.00 H new ATOM 0 HB3 LYS A 31 79.086 -2.512 2.722 1.00 0.00 H new ATOM 0 HG2 LYS A 31 78.541 -4.913 3.111 1.00 0.00 H new ATOM 0 HG3 LYS A 31 77.181 -4.801 2.011 1.00 0.00 H new ATOM 0 HD2 LYS A 31 78.752 -4.176 0.145 1.00 0.00 H new ATOM 0 HD3 LYS A 31 80.108 -4.313 1.248 1.00 0.00 H new ATOM 0 HE2 LYS A 31 79.542 -6.707 1.677 1.00 0.00 H new ATOM 0 HE3 LYS A 31 78.145 -6.580 0.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 80.036 -7.532 -0.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 79.624 -6.035 -1.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 80.977 -6.158 -0.210 1.00 0.00 H new ATOM 495 N ASP A 32 76.966 -4.285 5.346 1.00 0.00 N ATOM 496 CA ASP A 32 77.333 -5.009 6.577 1.00 0.00 C ATOM 497 C ASP A 32 76.527 -4.494 7.771 1.00 0.00 C ATOM 498 O ASP A 32 77.076 -3.858 8.671 1.00 0.00 O ATOM 499 CB ASP A 32 78.840 -4.887 6.881 1.00 0.00 C ATOM 500 CG ASP A 32 79.295 -6.029 7.791 1.00 0.00 C ATOM 501 OD1 ASP A 32 78.767 -7.122 7.658 1.00 0.00 O ATOM 502 OD2 ASP A 32 80.173 -5.793 8.604 1.00 0.00 O ATOM 0 H ASP A 32 76.151 -4.671 4.870 1.00 0.00 H new ATOM 0 HA ASP A 32 77.099 -6.061 6.411 1.00 0.00 H new ATOM 0 HB2 ASP A 32 79.408 -4.907 5.951 1.00 0.00 H new ATOM 0 HB3 ASP A 32 79.045 -3.929 7.359 1.00 0.00 H new ATOM 507 N GLN A 33 75.223 -4.786 7.765 1.00 0.00 N ATOM 508 CA GLN A 33 74.329 -4.362 8.836 1.00 0.00 C ATOM 509 C GLN A 33 72.932 -4.922 8.561 1.00 0.00 C ATOM 510 O GLN A 33 72.758 -6.136 8.489 1.00 0.00 O ATOM 511 CB GLN A 33 74.286 -2.828 8.925 1.00 0.00 C ATOM 512 CG GLN A 33 73.617 -2.411 10.238 1.00 0.00 C ATOM 513 CD GLN A 33 73.605 -0.892 10.366 1.00 0.00 C ATOM 514 OE1 GLN A 33 74.345 -0.201 9.664 1.00 0.00 O ATOM 515 NE2 GLN A 33 72.803 -0.327 11.227 1.00 0.00 N ATOM 0 H GLN A 33 74.765 -5.317 7.024 1.00 0.00 H new ATOM 0 HA GLN A 33 74.694 -4.742 9.790 1.00 0.00 H new ATOM 0 HB2 GLN A 33 75.296 -2.422 8.874 1.00 0.00 H new ATOM 0 HB3 GLN A 33 73.735 -2.419 8.078 1.00 0.00 H new ATOM 0 HG2 GLN A 33 72.597 -2.794 10.272 1.00 0.00 H new ATOM 0 HG3 GLN A 33 74.150 -2.850 11.081 1.00 0.00 H new ATOM 0 HE21 GLN A 33 72.191 -0.901 11.807 1.00 0.00 H new ATOM 0 HE22 GLN A 33 72.788 0.689 11.320 1.00 0.00 H new ATOM 524 N ASP A 34 71.954 -4.028 8.389 1.00 0.00 N ATOM 525 CA ASP A 34 70.567 -4.415 8.101 1.00 0.00 C ATOM 526 C ASP A 34 70.205 -5.769 8.700 1.00 0.00 C ATOM 527 O ASP A 34 70.578 -6.816 8.170 1.00 0.00 O ATOM 528 CB ASP A 34 70.344 -4.465 6.591 1.00 0.00 C ATOM 529 CG ASP A 34 68.875 -4.748 6.292 1.00 0.00 C ATOM 530 OD1 ASP A 34 68.138 -4.992 7.235 1.00 0.00 O ATOM 531 OD2 ASP A 34 68.508 -4.712 5.131 1.00 0.00 O ATOM 0 H ASP A 34 72.099 -3.020 8.445 1.00 0.00 H new ATOM 0 HA ASP A 34 69.925 -3.662 8.558 1.00 0.00 H new ATOM 0 HB2 ASP A 34 70.640 -3.518 6.139 1.00 0.00 H new ATOM 0 HB3 ASP A 34 70.970 -5.239 6.148 1.00 0.00 H new ATOM 536 N LEU A 35 69.444 -5.747 9.790 1.00 0.00 N ATOM 537 CA LEU A 35 69.014 -6.993 10.425 1.00 0.00 C ATOM 538 C LEU A 35 67.763 -7.506 9.731 1.00 0.00 C ATOM 539 O LEU A 35 66.647 -7.110 10.055 1.00 0.00 O ATOM 540 CB LEU A 35 68.731 -6.794 11.923 1.00 0.00 C ATOM 541 CG LEU A 35 68.414 -8.143 12.585 1.00 0.00 C ATOM 542 CD1 LEU A 35 69.641 -9.077 12.545 1.00 0.00 C ATOM 543 CD2 LEU A 35 68.008 -7.896 14.045 1.00 0.00 C ATOM 0 H LEU A 35 69.116 -4.897 10.248 1.00 0.00 H new ATOM 0 HA LEU A 35 69.820 -7.720 10.330 1.00 0.00 H new ATOM 0 HB2 LEU A 35 69.595 -6.337 12.406 1.00 0.00 H new ATOM 0 HB3 LEU A 35 67.893 -6.110 12.055 1.00 0.00 H new ATOM 0 HG LEU A 35 67.600 -8.622 12.040 1.00 0.00 H new ATOM 0 HD11 LEU A 35 69.392 -10.026 13.020 1.00 0.00 H new ATOM 0 HD12 LEU A 35 69.930 -9.254 11.509 1.00 0.00 H new ATOM 0 HD13 LEU A 35 70.470 -8.612 13.078 1.00 0.00 H new ATOM 0 HD21 LEU A 35 67.780 -8.848 14.525 1.00 0.00 H new ATOM 0 HD22 LEU A 35 68.828 -7.410 14.573 1.00 0.00 H new ATOM 0 HD23 LEU A 35 67.127 -7.255 14.074 1.00 0.00 H new ATOM 555 N VAL A 36 67.969 -8.397 8.771 1.00 0.00 N ATOM 556 CA VAL A 36 66.872 -8.985 8.004 1.00 0.00 C ATOM 557 C VAL A 36 66.821 -10.487 8.242 1.00 0.00 C ATOM 558 O VAL A 36 67.839 -11.177 8.190 1.00 0.00 O ATOM 559 CB VAL A 36 67.058 -8.673 6.496 1.00 0.00 C ATOM 560 CG1 VAL A 36 68.550 -8.539 6.179 1.00 0.00 C ATOM 561 CG2 VAL A 36 66.455 -9.796 5.628 1.00 0.00 C ATOM 0 H VAL A 36 68.893 -8.733 8.501 1.00 0.00 H new ATOM 0 HA VAL A 36 65.927 -8.552 8.333 1.00 0.00 H new ATOM 0 HB VAL A 36 66.544 -7.739 6.271 1.00 0.00 H new ATOM 0 HG11 VAL A 36 68.679 -8.320 5.119 1.00 0.00 H new ATOM 0 HG12 VAL A 36 68.977 -7.729 6.771 1.00 0.00 H new ATOM 0 HG13 VAL A 36 69.059 -9.472 6.421 1.00 0.00 H new ATOM 0 HG21 VAL A 36 66.596 -9.557 4.574 1.00 0.00 H new ATOM 0 HG22 VAL A 36 66.952 -10.739 5.856 1.00 0.00 H new ATOM 0 HG23 VAL A 36 65.390 -9.887 5.840 1.00 0.00 H new ATOM 571 N GLU A 37 65.613 -10.982 8.486 1.00 0.00 N ATOM 572 CA GLU A 37 65.400 -12.408 8.717 1.00 0.00 C ATOM 573 C GLU A 37 64.479 -12.960 7.640 1.00 0.00 C ATOM 574 O GLU A 37 63.298 -12.616 7.586 1.00 0.00 O ATOM 575 CB GLU A 37 64.762 -12.625 10.089 1.00 0.00 C ATOM 576 CG GLU A 37 65.771 -12.269 11.180 1.00 0.00 C ATOM 577 CD GLU A 37 65.136 -12.410 12.560 1.00 0.00 C ATOM 578 OE1 GLU A 37 63.995 -12.835 12.630 1.00 0.00 O ATOM 579 OE2 GLU A 37 65.802 -12.081 13.528 1.00 0.00 O ATOM 0 H GLU A 37 64.765 -10.417 8.529 1.00 0.00 H new ATOM 0 HA GLU A 37 66.360 -12.924 8.683 1.00 0.00 H new ATOM 0 HB2 GLU A 37 63.869 -12.008 10.189 1.00 0.00 H new ATOM 0 HB3 GLU A 37 64.446 -13.663 10.195 1.00 0.00 H new ATOM 0 HG2 GLU A 37 66.642 -12.921 11.105 1.00 0.00 H new ATOM 0 HG3 GLU A 37 66.124 -11.248 11.038 1.00 0.00 H new ATOM 586 N VAL A 38 65.020 -13.831 6.793 1.00 0.00 N ATOM 587 CA VAL A 38 64.249 -14.444 5.715 1.00 0.00 C ATOM 588 C VAL A 38 64.067 -15.933 5.994 1.00 0.00 C ATOM 589 O VAL A 38 65.020 -16.630 6.350 1.00 0.00 O ATOM 590 CB VAL A 38 64.968 -14.235 4.374 1.00 0.00 C ATOM 591 CG1 VAL A 38 64.914 -12.755 3.997 1.00 0.00 C ATOM 592 CG2 VAL A 38 66.433 -14.666 4.484 1.00 0.00 C ATOM 0 H VAL A 38 65.995 -14.130 6.833 1.00 0.00 H new ATOM 0 HA VAL A 38 63.267 -13.974 5.661 1.00 0.00 H new ATOM 0 HB VAL A 38 64.473 -14.836 3.612 1.00 0.00 H new ATOM 0 HG11 VAL A 38 65.424 -12.603 3.045 1.00 0.00 H new ATOM 0 HG12 VAL A 38 63.874 -12.440 3.906 1.00 0.00 H new ATOM 0 HG13 VAL A 38 65.406 -12.164 4.770 1.00 0.00 H new ATOM 0 HG21 VAL A 38 66.930 -14.512 3.526 1.00 0.00 H new ATOM 0 HG22 VAL A 38 66.930 -14.072 5.251 1.00 0.00 H new ATOM 0 HG23 VAL A 38 66.483 -15.721 4.753 1.00 0.00 H new ATOM 602 N MET A 39 62.829 -16.408 5.848 1.00 0.00 N ATOM 603 CA MET A 39 62.503 -17.813 6.098 1.00 0.00 C ATOM 604 C MET A 39 61.970 -18.472 4.831 1.00 0.00 C ATOM 605 O MET A 39 61.005 -18.001 4.232 1.00 0.00 O ATOM 606 CB MET A 39 61.447 -17.897 7.202 1.00 0.00 C ATOM 607 CG MET A 39 61.150 -19.362 7.534 1.00 0.00 C ATOM 608 SD MET A 39 59.949 -19.429 8.889 1.00 0.00 S ATOM 609 CE MET A 39 58.465 -19.454 7.853 1.00 0.00 C ATOM 0 H MET A 39 62.034 -15.839 5.557 1.00 0.00 H new ATOM 0 HA MET A 39 63.407 -18.336 6.408 1.00 0.00 H new ATOM 0 HB2 MET A 39 61.799 -17.378 8.093 1.00 0.00 H new ATOM 0 HB3 MET A 39 60.534 -17.396 6.881 1.00 0.00 H new ATOM 0 HG2 MET A 39 60.756 -19.874 6.656 1.00 0.00 H new ATOM 0 HG3 MET A 39 62.068 -19.877 7.819 1.00 0.00 H new ATOM 0 HE1 MET A 39 57.702 -18.813 8.295 1.00 0.00 H new ATOM 0 HE2 MET A 39 58.711 -19.090 6.855 1.00 0.00 H new ATOM 0 HE3 MET A 39 58.087 -20.474 7.784 1.00 0.00 H new ATOM 619 N THR A 40 62.610 -19.563 4.427 1.00 0.00 N ATOM 620 CA THR A 40 62.202 -20.288 3.223 1.00 0.00 C ATOM 621 C THR A 40 61.176 -21.365 3.568 1.00 0.00 C ATOM 622 O THR A 40 59.969 -21.134 3.496 1.00 0.00 O ATOM 623 CB THR A 40 63.432 -20.941 2.566 1.00 0.00 C ATOM 624 OG1 THR A 40 63.035 -22.137 1.905 1.00 0.00 O ATOM 625 CG2 THR A 40 64.481 -21.274 3.634 1.00 0.00 C ATOM 0 H THR A 40 63.412 -19.967 4.912 1.00 0.00 H new ATOM 0 HA THR A 40 61.749 -19.580 2.529 1.00 0.00 H new ATOM 0 HB THR A 40 63.863 -20.247 1.845 1.00 0.00 H new ATOM 0 HG1 THR A 40 63.816 -22.553 1.485 1.00 0.00 H new ATOM 0 HG21 THR A 40 65.348 -21.736 3.161 1.00 0.00 H new ATOM 0 HG22 THR A 40 64.788 -20.359 4.140 1.00 0.00 H new ATOM 0 HG23 THR A 40 64.054 -21.965 4.361 1.00 0.00 H new ATOM 633 N ASP A 41 61.666 -22.543 3.943 1.00 0.00 N ATOM 634 CA ASP A 41 60.784 -23.663 4.294 1.00 0.00 C ATOM 635 C ASP A 41 60.377 -23.587 5.764 1.00 0.00 C ATOM 636 O ASP A 41 59.190 -23.504 6.084 1.00 0.00 O ATOM 637 CB ASP A 41 61.512 -24.986 4.040 1.00 0.00 C ATOM 638 CG ASP A 41 62.866 -24.972 4.744 1.00 0.00 C ATOM 639 OD1 ASP A 41 63.369 -23.891 4.998 1.00 0.00 O ATOM 640 OD2 ASP A 41 63.375 -26.044 5.031 1.00 0.00 O ATOM 0 H ASP A 41 62.662 -22.751 4.013 1.00 0.00 H new ATOM 0 HA ASP A 41 59.888 -23.606 3.677 1.00 0.00 H new ATOM 0 HB2 ASP A 41 60.911 -25.819 4.404 1.00 0.00 H new ATOM 0 HB3 ASP A 41 61.650 -25.137 2.969 1.00 0.00 H new ATOM 645 N LYS A 42 61.364 -23.611 6.656 1.00 0.00 N ATOM 646 CA LYS A 42 61.087 -23.548 8.094 1.00 0.00 C ATOM 647 C LYS A 42 62.400 -23.413 8.877 1.00 0.00 C ATOM 648 O LYS A 42 62.710 -24.238 9.736 1.00 0.00 O ATOM 649 CB LYS A 42 60.329 -24.826 8.532 1.00 0.00 C ATOM 650 CG LYS A 42 59.377 -24.535 9.700 1.00 0.00 C ATOM 651 CD LYS A 42 60.164 -24.112 10.943 1.00 0.00 C ATOM 652 CE LYS A 42 59.201 -23.956 12.121 1.00 0.00 C ATOM 653 NZ LYS A 42 59.956 -23.565 13.346 1.00 0.00 N ATOM 0 H LYS A 42 62.353 -23.673 6.415 1.00 0.00 H new ATOM 0 HA LYS A 42 60.467 -22.677 8.304 1.00 0.00 H new ATOM 0 HB2 LYS A 42 59.764 -25.223 7.689 1.00 0.00 H new ATOM 0 HB3 LYS A 42 61.045 -25.594 8.826 1.00 0.00 H new ATOM 0 HG2 LYS A 42 58.679 -23.747 9.419 1.00 0.00 H new ATOM 0 HG3 LYS A 42 58.784 -25.422 9.923 1.00 0.00 H new ATOM 0 HD2 LYS A 42 60.925 -24.856 11.177 1.00 0.00 H new ATOM 0 HD3 LYS A 42 60.684 -23.172 10.756 1.00 0.00 H new ATOM 0 HE2 LYS A 42 58.450 -23.201 11.890 1.00 0.00 H new ATOM 0 HE3 LYS A 42 58.670 -24.892 12.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 59.295 -23.461 14.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 60.657 -24.300 13.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 60.443 -22.661 13.180 1.00 0.00 H new ATOM 667 N VAL A 43 63.163 -22.361 8.577 1.00 0.00 N ATOM 668 CA VAL A 43 64.436 -22.126 9.263 1.00 0.00 C ATOM 669 C VAL A 43 64.775 -20.640 9.257 1.00 0.00 C ATOM 670 O VAL A 43 64.386 -19.911 8.345 1.00 0.00 O ATOM 671 CB VAL A 43 65.569 -22.936 8.610 1.00 0.00 C ATOM 672 CG1 VAL A 43 65.748 -22.548 7.137 1.00 0.00 C ATOM 673 CG2 VAL A 43 66.874 -22.670 9.365 1.00 0.00 C ATOM 0 H VAL A 43 62.926 -21.664 7.871 1.00 0.00 H new ATOM 0 HA VAL A 43 64.332 -22.458 10.296 1.00 0.00 H new ATOM 0 HB VAL A 43 65.311 -23.994 8.657 1.00 0.00 H new ATOM 0 HG11 VAL A 43 66.555 -23.136 6.701 1.00 0.00 H new ATOM 0 HG12 VAL A 43 64.823 -22.743 6.594 1.00 0.00 H new ATOM 0 HG13 VAL A 43 65.993 -21.488 7.067 1.00 0.00 H new ATOM 0 HG21 VAL A 43 67.682 -23.241 8.908 1.00 0.00 H new ATOM 0 HG22 VAL A 43 67.110 -21.607 9.320 1.00 0.00 H new ATOM 0 HG23 VAL A 43 66.760 -22.972 10.406 1.00 0.00 H new ATOM 683 N THR A 44 65.510 -20.196 10.273 1.00 0.00 N ATOM 684 CA THR A 44 65.896 -18.784 10.369 1.00 0.00 C ATOM 685 C THR A 44 67.275 -18.578 9.754 1.00 0.00 C ATOM 686 O THR A 44 68.275 -19.106 10.241 1.00 0.00 O ATOM 687 CB THR A 44 65.933 -18.346 11.838 1.00 0.00 C ATOM 688 OG1 THR A 44 64.807 -18.876 12.524 1.00 0.00 O ATOM 689 CG2 THR A 44 65.904 -16.818 11.934 1.00 0.00 C ATOM 0 H THR A 44 65.849 -20.783 11.035 1.00 0.00 H new ATOM 0 HA THR A 44 65.161 -18.186 9.829 1.00 0.00 H new ATOM 0 HB THR A 44 66.851 -18.719 12.292 1.00 0.00 H new ATOM 0 HG1 THR A 44 64.834 -18.596 13.463 1.00 0.00 H new ATOM 0 HG21 THR A 44 65.931 -16.519 12.982 1.00 0.00 H new ATOM 0 HG22 THR A 44 66.769 -16.404 11.416 1.00 0.00 H new ATOM 0 HG23 THR A 44 64.991 -16.442 11.472 1.00 0.00 H new ATOM 697 N VAL A 45 67.315 -17.797 8.680 1.00 0.00 N ATOM 698 CA VAL A 45 68.572 -17.503 7.983 1.00 0.00 C ATOM 699 C VAL A 45 68.862 -16.001 8.044 1.00 0.00 C ATOM 700 O VAL A 45 68.089 -15.192 7.529 1.00 0.00 O ATOM 701 CB VAL A 45 68.449 -17.959 6.520 1.00 0.00 C ATOM 702 CG1 VAL A 45 69.832 -18.210 5.904 1.00 0.00 C ATOM 703 CG2 VAL A 45 67.632 -19.252 6.467 1.00 0.00 C ATOM 0 H VAL A 45 66.493 -17.354 8.269 1.00 0.00 H new ATOM 0 HA VAL A 45 69.393 -18.035 8.463 1.00 0.00 H new ATOM 0 HB VAL A 45 67.955 -17.172 5.950 1.00 0.00 H new ATOM 0 HG11 VAL A 45 69.716 -18.531 4.869 1.00 0.00 H new ATOM 0 HG12 VAL A 45 70.417 -17.291 5.935 1.00 0.00 H new ATOM 0 HG13 VAL A 45 70.347 -18.987 6.470 1.00 0.00 H new ATOM 0 HG21 VAL A 45 67.540 -19.582 5.432 1.00 0.00 H new ATOM 0 HG22 VAL A 45 68.134 -20.024 7.051 1.00 0.00 H new ATOM 0 HG23 VAL A 45 66.639 -19.072 6.880 1.00 0.00 H new ATOM 713 N LYS A 46 69.970 -15.629 8.687 1.00 0.00 N ATOM 714 CA LYS A 46 70.338 -14.215 8.817 1.00 0.00 C ATOM 715 C LYS A 46 71.373 -13.811 7.766 1.00 0.00 C ATOM 716 O LYS A 46 72.368 -14.505 7.555 1.00 0.00 O ATOM 717 CB LYS A 46 70.864 -13.941 10.241 1.00 0.00 C ATOM 718 CG LYS A 46 72.318 -14.417 10.426 1.00 0.00 C ATOM 719 CD LYS A 46 72.418 -15.931 10.210 1.00 0.00 C ATOM 720 CE LYS A 46 73.808 -16.414 10.629 1.00 0.00 C ATOM 721 NZ LYS A 46 74.843 -15.767 9.775 1.00 0.00 N ATOM 0 H LYS A 46 70.624 -16.279 9.123 1.00 0.00 H new ATOM 0 HA LYS A 46 69.448 -13.609 8.646 1.00 0.00 H new ATOM 0 HB2 LYS A 46 70.804 -12.873 10.449 1.00 0.00 H new ATOM 0 HB3 LYS A 46 70.224 -14.444 10.966 1.00 0.00 H new ATOM 0 HG2 LYS A 46 72.969 -13.899 9.721 1.00 0.00 H new ATOM 0 HG3 LYS A 46 72.666 -14.163 11.427 1.00 0.00 H new ATOM 0 HD2 LYS A 46 71.652 -16.444 10.792 1.00 0.00 H new ATOM 0 HD3 LYS A 46 72.237 -16.173 9.163 1.00 0.00 H new ATOM 0 HE2 LYS A 46 73.986 -16.174 11.677 1.00 0.00 H new ATOM 0 HE3 LYS A 46 73.871 -17.498 10.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 75.750 -16.262 9.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 74.550 -15.814 8.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 74.953 -14.772 10.056 1.00 0.00 H new ATOM 735 N ILE A 47 71.125 -12.676 7.110 1.00 0.00 N ATOM 736 CA ILE A 47 72.033 -12.160 6.079 1.00 0.00 C ATOM 737 C ILE A 47 72.173 -10.640 6.231 1.00 0.00 C ATOM 738 O ILE A 47 71.446 -9.883 5.589 1.00 0.00 O ATOM 739 CB ILE A 47 71.481 -12.464 4.679 1.00 0.00 C ATOM 740 CG1 ILE A 47 71.144 -13.953 4.539 1.00 0.00 C ATOM 741 CG2 ILE A 47 72.530 -12.081 3.633 1.00 0.00 C ATOM 742 CD1 ILE A 47 70.340 -14.174 3.253 1.00 0.00 C ATOM 0 H ILE A 47 70.303 -12.095 7.273 1.00 0.00 H new ATOM 0 HA ILE A 47 73.003 -12.643 6.200 1.00 0.00 H new ATOM 0 HB ILE A 47 70.569 -11.886 4.528 1.00 0.00 H new ATOM 0 HG12 ILE A 47 72.060 -14.544 4.515 1.00 0.00 H new ATOM 0 HG13 ILE A 47 70.570 -14.290 5.402 1.00 0.00 H new ATOM 0 HG21 ILE A 47 72.144 -12.294 2.636 1.00 0.00 H new ATOM 0 HG22 ILE A 47 72.755 -11.018 3.715 1.00 0.00 H new ATOM 0 HG23 ILE A 47 73.439 -12.658 3.801 1.00 0.00 H new ATOM 0 HD11 ILE A 47 70.099 -15.232 3.152 1.00 0.00 H new ATOM 0 HD12 ILE A 47 69.418 -13.595 3.296 1.00 0.00 H new ATOM 0 HD13 ILE A 47 70.930 -13.852 2.395 1.00 0.00 H new ATOM 754 N PRO A 48 73.064 -10.178 7.077 1.00 0.00 N ATOM 755 CA PRO A 48 73.263 -8.718 7.315 1.00 0.00 C ATOM 756 C PRO A 48 74.256 -8.068 6.340 1.00 0.00 C ATOM 757 O PRO A 48 75.210 -7.419 6.764 1.00 0.00 O ATOM 758 CB PRO A 48 73.800 -8.694 8.745 1.00 0.00 C ATOM 759 CG PRO A 48 74.625 -9.943 8.851 1.00 0.00 C ATOM 760 CD PRO A 48 73.975 -10.981 7.912 1.00 0.00 C ATOM 0 HA PRO A 48 72.347 -8.147 7.165 1.00 0.00 H new ATOM 0 HB2 PRO A 48 74.401 -7.803 8.930 1.00 0.00 H new ATOM 0 HB3 PRO A 48 72.990 -8.689 9.474 1.00 0.00 H new ATOM 0 HG2 PRO A 48 75.658 -9.751 8.561 1.00 0.00 H new ATOM 0 HG3 PRO A 48 74.645 -10.308 9.878 1.00 0.00 H new ATOM 0 HD2 PRO A 48 74.721 -11.497 7.308 1.00 0.00 H new ATOM 0 HD3 PRO A 48 73.436 -11.745 8.472 1.00 0.00 H new ATOM 768 N SER A 49 74.028 -8.231 5.041 1.00 0.00 N ATOM 769 CA SER A 49 74.922 -7.632 4.054 1.00 0.00 C ATOM 770 C SER A 49 74.362 -7.738 2.632 1.00 0.00 C ATOM 771 O SER A 49 75.083 -8.113 1.707 1.00 0.00 O ATOM 772 CB SER A 49 76.288 -8.317 4.104 1.00 0.00 C ATOM 773 OG SER A 49 76.178 -9.626 3.561 1.00 0.00 O ATOM 0 H SER A 49 73.249 -8.761 4.652 1.00 0.00 H new ATOM 0 HA SER A 49 75.018 -6.575 4.304 1.00 0.00 H new ATOM 0 HB2 SER A 49 77.019 -7.737 3.540 1.00 0.00 H new ATOM 0 HB3 SER A 49 76.645 -8.367 5.133 1.00 0.00 H new ATOM 0 HG SER A 49 76.062 -9.569 2.590 1.00 0.00 H new ATOM 779 N PRO A 50 73.113 -7.399 2.431 1.00 0.00 N ATOM 780 CA PRO A 50 72.481 -7.443 1.080 1.00 0.00 C ATOM 781 C PRO A 50 72.982 -6.305 0.191 1.00 0.00 C ATOM 782 O PRO A 50 72.287 -5.875 -0.726 1.00 0.00 O ATOM 783 CB PRO A 50 70.982 -7.295 1.381 1.00 0.00 C ATOM 784 CG PRO A 50 70.934 -6.509 2.653 1.00 0.00 C ATOM 785 CD PRO A 50 72.161 -6.942 3.462 1.00 0.00 C ATOM 0 HA PRO A 50 72.717 -8.357 0.534 1.00 0.00 H new ATOM 0 HB2 PRO A 50 70.464 -6.777 0.574 1.00 0.00 H new ATOM 0 HB3 PRO A 50 70.502 -8.267 1.496 1.00 0.00 H new ATOM 0 HG2 PRO A 50 70.957 -5.438 2.451 1.00 0.00 H new ATOM 0 HG3 PRO A 50 70.014 -6.710 3.202 1.00 0.00 H new ATOM 0 HD2 PRO A 50 72.568 -6.116 4.046 1.00 0.00 H new ATOM 0 HD3 PRO A 50 71.917 -7.739 4.164 1.00 0.00 H new ATOM 793 N VAL A 51 74.186 -5.810 0.487 1.00 0.00 N ATOM 794 CA VAL A 51 74.766 -4.701 -0.280 1.00 0.00 C ATOM 795 C VAL A 51 73.952 -3.434 -0.051 1.00 0.00 C ATOM 796 O VAL A 51 73.277 -2.938 -0.952 1.00 0.00 O ATOM 797 CB VAL A 51 74.797 -5.034 -1.776 1.00 0.00 C ATOM 798 CG1 VAL A 51 75.731 -4.053 -2.490 1.00 0.00 C ATOM 799 CG2 VAL A 51 75.308 -6.464 -1.976 1.00 0.00 C ATOM 0 H VAL A 51 74.775 -6.155 1.245 1.00 0.00 H new ATOM 0 HA VAL A 51 75.789 -4.542 0.061 1.00 0.00 H new ATOM 0 HB VAL A 51 73.792 -4.952 -2.189 1.00 0.00 H new ATOM 0 HG11 VAL A 51 75.757 -4.285 -3.555 1.00 0.00 H new ATOM 0 HG12 VAL A 51 75.366 -3.035 -2.349 1.00 0.00 H new ATOM 0 HG13 VAL A 51 76.735 -4.139 -2.075 1.00 0.00 H new ATOM 0 HG21 VAL A 51 75.329 -6.697 -3.041 1.00 0.00 H new ATOM 0 HG22 VAL A 51 76.314 -6.552 -1.566 1.00 0.00 H new ATOM 0 HG23 VAL A 51 74.645 -7.162 -1.464 1.00 0.00 H new ATOM 809 N ARG A 52 74.019 -2.939 1.177 1.00 0.00 N ATOM 810 CA ARG A 52 73.293 -1.738 1.567 1.00 0.00 C ATOM 811 C ARG A 52 73.978 -0.477 1.044 1.00 0.00 C ATOM 812 O ARG A 52 75.196 -0.442 0.875 1.00 0.00 O ATOM 813 CB ARG A 52 73.184 -1.687 3.092 1.00 0.00 C ATOM 814 CG ARG A 52 72.183 -2.748 3.574 1.00 0.00 C ATOM 815 CD ARG A 52 70.721 -2.335 3.269 1.00 0.00 C ATOM 816 NE ARG A 52 70.194 -3.154 2.183 1.00 0.00 N ATOM 817 CZ ARG A 52 68.886 -3.265 1.979 1.00 0.00 C ATOM 818 NH1 ARG A 52 68.052 -2.576 2.708 1.00 0.00 N ATOM 819 NH2 ARG A 52 68.434 -4.058 1.046 1.00 0.00 N ATOM 0 H ARG A 52 74.573 -3.354 1.926 1.00 0.00 H new ATOM 0 HA ARG A 52 72.297 -1.777 1.127 1.00 0.00 H new ATOM 0 HB2 ARG A 52 74.161 -1.863 3.542 1.00 0.00 H new ATOM 0 HB3 ARG A 52 72.860 -0.696 3.410 1.00 0.00 H new ATOM 0 HG2 ARG A 52 72.401 -3.700 3.091 1.00 0.00 H new ATOM 0 HG3 ARG A 52 72.302 -2.900 4.647 1.00 0.00 H new ATOM 0 HD2 ARG A 52 70.105 -2.456 4.160 1.00 0.00 H new ATOM 0 HD3 ARG A 52 70.681 -1.281 2.995 1.00 0.00 H new ATOM 0 HE ARG A 52 70.841 -3.650 1.570 1.00 0.00 H new ATOM 0 HH11 ARG A 52 68.404 -1.952 3.434 1.00 0.00 H new ATOM 0 HH12 ARG A 52 67.048 -2.661 2.552 1.00 0.00 H new ATOM 0 HH21 ARG A 52 69.085 -4.594 0.472 1.00 0.00 H new ATOM 0 HH22 ARG A 52 67.429 -4.142 0.891 1.00 0.00 H new ATOM 833 N GLY A 53 73.171 0.548 0.787 1.00 0.00 N ATOM 834 CA GLY A 53 73.667 1.822 0.275 1.00 0.00 C ATOM 835 C GLY A 53 72.571 2.882 0.363 1.00 0.00 C ATOM 836 O GLY A 53 72.409 3.527 1.399 1.00 0.00 O ATOM 0 H GLY A 53 72.161 0.520 0.927 1.00 0.00 H new ATOM 0 HA2 GLY A 53 74.538 2.139 0.848 1.00 0.00 H new ATOM 0 HA3 GLY A 53 73.991 1.707 -0.759 1.00 0.00 H new ATOM 840 N LYS A 54 71.805 3.048 -0.720 1.00 0.00 N ATOM 841 CA LYS A 54 70.703 4.020 -0.743 1.00 0.00 C ATOM 842 C LYS A 54 69.398 3.295 -1.069 1.00 0.00 C ATOM 843 O LYS A 54 69.356 2.462 -1.974 1.00 0.00 O ATOM 844 CB LYS A 54 70.983 5.102 -1.796 1.00 0.00 C ATOM 845 CG LYS A 54 72.180 5.944 -1.344 1.00 0.00 C ATOM 846 CD LYS A 54 72.409 7.106 -2.317 1.00 0.00 C ATOM 847 CE LYS A 54 72.913 6.583 -3.666 1.00 0.00 C ATOM 848 NZ LYS A 54 73.509 7.711 -4.434 1.00 0.00 N ATOM 0 H LYS A 54 71.925 2.526 -1.588 1.00 0.00 H new ATOM 0 HA LYS A 54 70.617 4.497 0.233 1.00 0.00 H new ATOM 0 HB2 LYS A 54 71.191 4.642 -2.762 1.00 0.00 H new ATOM 0 HB3 LYS A 54 70.106 5.735 -1.927 1.00 0.00 H new ATOM 0 HG2 LYS A 54 72.003 6.330 -0.340 1.00 0.00 H new ATOM 0 HG3 LYS A 54 73.073 5.321 -1.293 1.00 0.00 H new ATOM 0 HD2 LYS A 54 71.480 7.659 -2.458 1.00 0.00 H new ATOM 0 HD3 LYS A 54 73.134 7.803 -1.896 1.00 0.00 H new ATOM 0 HE2 LYS A 54 73.655 5.799 -3.512 1.00 0.00 H new ATOM 0 HE3 LYS A 54 72.091 6.138 -4.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 73.853 7.363 -5.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 72.788 8.444 -4.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 74.303 8.115 -3.897 1.00 0.00 H new ATOM 862 N ILE A 55 68.335 3.590 -0.309 1.00 0.00 N ATOM 863 CA ILE A 55 67.036 2.934 -0.515 1.00 0.00 C ATOM 864 C ILE A 55 66.070 3.898 -1.211 1.00 0.00 C ATOM 865 O ILE A 55 65.788 4.981 -0.699 1.00 0.00 O ATOM 866 CB ILE A 55 66.459 2.510 0.848 1.00 0.00 C ATOM 867 CG1 ILE A 55 67.575 1.956 1.750 1.00 0.00 C ATOM 868 CG2 ILE A 55 65.381 1.435 0.654 1.00 0.00 C ATOM 869 CD1 ILE A 55 68.320 0.803 1.067 1.00 0.00 C ATOM 0 H ILE A 55 68.348 4.273 0.448 1.00 0.00 H new ATOM 0 HA ILE A 55 67.170 2.053 -1.143 1.00 0.00 H new ATOM 0 HB ILE A 55 66.015 3.385 1.322 1.00 0.00 H new ATOM 0 HG12 ILE A 55 68.278 2.753 1.994 1.00 0.00 H new ATOM 0 HG13 ILE A 55 67.147 1.609 2.691 1.00 0.00 H new ATOM 0 HG21 ILE A 55 64.980 1.143 1.624 1.00 0.00 H new ATOM 0 HG22 ILE A 55 64.578 1.833 0.034 1.00 0.00 H new ATOM 0 HG23 ILE A 55 65.819 0.565 0.165 1.00 0.00 H new ATOM 0 HD11 ILE A 55 69.103 0.433 1.729 1.00 0.00 H new ATOM 0 HD12 ILE A 55 67.620 -0.003 0.847 1.00 0.00 H new ATOM 0 HD13 ILE A 55 68.768 1.158 0.139 1.00 0.00 H new ATOM 881 N VAL A 56 65.581 3.512 -2.391 1.00 0.00 N ATOM 882 CA VAL A 56 64.670 4.372 -3.156 1.00 0.00 C ATOM 883 C VAL A 56 63.200 4.163 -2.763 1.00 0.00 C ATOM 884 O VAL A 56 62.487 5.133 -2.505 1.00 0.00 O ATOM 885 CB VAL A 56 64.856 4.111 -4.667 1.00 0.00 C ATOM 886 CG1 VAL A 56 63.679 4.693 -5.467 1.00 0.00 C ATOM 887 CG2 VAL A 56 66.154 4.779 -5.140 1.00 0.00 C ATOM 0 H VAL A 56 65.796 2.620 -2.836 1.00 0.00 H new ATOM 0 HA VAL A 56 64.921 5.407 -2.922 1.00 0.00 H new ATOM 0 HB VAL A 56 64.900 3.034 -4.831 1.00 0.00 H new ATOM 0 HG11 VAL A 56 63.829 4.499 -6.529 1.00 0.00 H new ATOM 0 HG12 VAL A 56 62.750 4.225 -5.140 1.00 0.00 H new ATOM 0 HG13 VAL A 56 63.622 5.769 -5.300 1.00 0.00 H new ATOM 0 HG21 VAL A 56 66.289 4.597 -6.206 1.00 0.00 H new ATOM 0 HG22 VAL A 56 66.098 5.852 -4.959 1.00 0.00 H new ATOM 0 HG23 VAL A 56 66.999 4.363 -4.591 1.00 0.00 H new ATOM 897 N LYS A 57 62.733 2.916 -2.751 1.00 0.00 N ATOM 898 CA LYS A 57 61.327 2.653 -2.426 1.00 0.00 C ATOM 899 C LYS A 57 61.138 1.237 -1.891 1.00 0.00 C ATOM 900 O LYS A 57 61.976 0.363 -2.104 1.00 0.00 O ATOM 901 CB LYS A 57 60.474 2.854 -3.685 1.00 0.00 C ATOM 902 CG LYS A 57 58.985 2.765 -3.342 1.00 0.00 C ATOM 903 CD LYS A 57 58.154 3.102 -4.580 1.00 0.00 C ATOM 904 CE LYS A 57 56.667 3.056 -4.226 1.00 0.00 C ATOM 905 NZ LYS A 57 56.276 1.659 -3.884 1.00 0.00 N ATOM 0 H LYS A 57 63.290 2.087 -2.957 1.00 0.00 H new ATOM 0 HA LYS A 57 61.013 3.349 -1.648 1.00 0.00 H new ATOM 0 HB2 LYS A 57 60.694 3.825 -4.129 1.00 0.00 H new ATOM 0 HB3 LYS A 57 60.728 2.098 -4.428 1.00 0.00 H new ATOM 0 HG2 LYS A 57 58.742 1.763 -2.990 1.00 0.00 H new ATOM 0 HG3 LYS A 57 58.746 3.454 -2.532 1.00 0.00 H new ATOM 0 HD2 LYS A 57 58.420 4.092 -4.951 1.00 0.00 H new ATOM 0 HD3 LYS A 57 58.370 2.394 -5.380 1.00 0.00 H new ATOM 0 HE2 LYS A 57 56.463 3.718 -3.384 1.00 0.00 H new ATOM 0 HE3 LYS A 57 56.072 3.415 -5.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 55.241 1.568 -3.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 56.709 1.001 -4.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 56.605 1.432 -2.924 1.00 0.00 H new ATOM 919 N ILE A 58 60.023 1.017 -1.188 1.00 0.00 N ATOM 920 CA ILE A 58 59.719 -0.292 -0.619 1.00 0.00 C ATOM 921 C ILE A 58 58.755 -1.048 -1.538 1.00 0.00 C ATOM 922 O ILE A 58 57.630 -0.607 -1.769 1.00 0.00 O ATOM 923 CB ILE A 58 59.112 -0.093 0.788 1.00 0.00 C ATOM 924 CG1 ILE A 58 59.281 -1.373 1.615 1.00 0.00 C ATOM 925 CG2 ILE A 58 57.624 0.279 0.689 1.00 0.00 C ATOM 926 CD1 ILE A 58 58.410 -1.309 2.881 1.00 0.00 C ATOM 0 H ILE A 58 59.318 1.731 -1.001 1.00 0.00 H new ATOM 0 HA ILE A 58 60.628 -0.886 -0.530 1.00 0.00 H new ATOM 0 HB ILE A 58 59.639 0.724 1.281 1.00 0.00 H new ATOM 0 HG12 ILE A 58 59.002 -2.240 1.017 1.00 0.00 H new ATOM 0 HG13 ILE A 58 60.328 -1.500 1.891 1.00 0.00 H new ATOM 0 HG21 ILE A 58 57.215 0.415 1.690 1.00 0.00 H new ATOM 0 HG22 ILE A 58 57.517 1.206 0.125 1.00 0.00 H new ATOM 0 HG23 ILE A 58 57.082 -0.519 0.181 1.00 0.00 H new ATOM 0 HD11 ILE A 58 58.540 -2.224 3.459 1.00 0.00 H new ATOM 0 HD12 ILE A 58 58.709 -0.453 3.486 1.00 0.00 H new ATOM 0 HD13 ILE A 58 57.363 -1.205 2.597 1.00 0.00 H new ATOM 938 N LEU A 59 59.210 -2.174 -2.096 1.00 0.00 N ATOM 939 CA LEU A 59 58.363 -2.951 -3.010 1.00 0.00 C ATOM 940 C LEU A 59 57.709 -4.139 -2.302 1.00 0.00 C ATOM 941 O LEU A 59 56.759 -4.726 -2.820 1.00 0.00 O ATOM 942 CB LEU A 59 59.185 -3.453 -4.202 1.00 0.00 C ATOM 943 CG LEU A 59 59.654 -2.269 -5.059 1.00 0.00 C ATOM 944 CD1 LEU A 59 60.634 -2.779 -6.123 1.00 0.00 C ATOM 945 CD2 LEU A 59 58.453 -1.585 -5.749 1.00 0.00 C ATOM 0 H LEU A 59 60.139 -2.563 -1.937 1.00 0.00 H new ATOM 0 HA LEU A 59 57.573 -2.289 -3.364 1.00 0.00 H new ATOM 0 HB2 LEU A 59 60.047 -4.018 -3.847 1.00 0.00 H new ATOM 0 HB3 LEU A 59 58.585 -4.133 -4.806 1.00 0.00 H new ATOM 0 HG LEU A 59 60.145 -1.539 -4.416 1.00 0.00 H new ATOM 0 HD11 LEU A 59 60.972 -1.944 -6.736 1.00 0.00 H new ATOM 0 HD12 LEU A 59 61.492 -3.242 -5.635 1.00 0.00 H new ATOM 0 HD13 LEU A 59 60.135 -3.514 -6.754 1.00 0.00 H new ATOM 0 HD21 LEU A 59 58.807 -0.749 -6.351 1.00 0.00 H new ATOM 0 HD22 LEU A 59 57.944 -2.304 -6.391 1.00 0.00 H new ATOM 0 HD23 LEU A 59 57.759 -1.219 -4.993 1.00 0.00 H new ATOM 957 N TYR A 60 58.235 -4.509 -1.130 1.00 0.00 N ATOM 958 CA TYR A 60 57.698 -5.654 -0.372 1.00 0.00 C ATOM 959 C TYR A 60 57.200 -5.216 1.009 1.00 0.00 C ATOM 960 O TYR A 60 57.788 -4.348 1.652 1.00 0.00 O ATOM 961 CB TYR A 60 58.794 -6.741 -0.210 1.00 0.00 C ATOM 962 CG TYR A 60 58.689 -7.798 -1.311 1.00 0.00 C ATOM 963 CD1 TYR A 60 58.693 -7.428 -2.668 1.00 0.00 C ATOM 964 CD2 TYR A 60 58.579 -9.163 -0.969 1.00 0.00 C ATOM 965 CE1 TYR A 60 58.590 -8.412 -3.664 1.00 0.00 C ATOM 966 CE2 TYR A 60 58.478 -10.132 -1.967 1.00 0.00 C ATOM 967 CZ TYR A 60 58.484 -9.760 -3.311 1.00 0.00 C ATOM 968 OH TYR A 60 58.388 -10.729 -4.289 1.00 0.00 O ATOM 0 H TYR A 60 59.024 -4.040 -0.685 1.00 0.00 H new ATOM 0 HA TYR A 60 56.855 -6.064 -0.928 1.00 0.00 H new ATOM 0 HB2 TYR A 60 59.779 -6.276 -0.241 1.00 0.00 H new ATOM 0 HB3 TYR A 60 58.697 -7.217 0.766 1.00 0.00 H new ATOM 0 HD1 TYR A 60 58.775 -6.387 -2.944 1.00 0.00 H new ATOM 0 HD2 TYR A 60 58.573 -9.458 0.070 1.00 0.00 H new ATOM 0 HE1 TYR A 60 58.593 -8.127 -4.706 1.00 0.00 H new ATOM 0 HE2 TYR A 60 58.395 -11.175 -1.698 1.00 0.00 H new ATOM 0 HH TYR A 60 58.789 -11.562 -3.964 1.00 0.00 H new ATOM 978 N ARG A 61 56.108 -5.846 1.455 1.00 0.00 N ATOM 979 CA ARG A 61 55.519 -5.546 2.765 1.00 0.00 C ATOM 980 C ARG A 61 55.487 -6.799 3.642 1.00 0.00 C ATOM 981 O ARG A 61 55.710 -7.911 3.165 1.00 0.00 O ATOM 982 CB ARG A 61 54.098 -5.005 2.594 1.00 0.00 C ATOM 983 CG ARG A 61 54.141 -3.671 1.848 1.00 0.00 C ATOM 984 CD ARG A 61 52.716 -3.173 1.620 1.00 0.00 C ATOM 985 NE ARG A 61 52.081 -2.910 2.906 1.00 0.00 N ATOM 986 CZ ARG A 61 50.816 -2.519 2.996 1.00 0.00 C ATOM 987 NH1 ARG A 61 50.093 -2.382 1.919 1.00 0.00 N ATOM 988 NH2 ARG A 61 50.295 -2.292 4.171 1.00 0.00 N ATOM 0 H ARG A 61 55.614 -6.567 0.929 1.00 0.00 H new ATOM 0 HA ARG A 61 56.137 -4.791 3.251 1.00 0.00 H new ATOM 0 HB2 ARG A 61 53.490 -5.722 2.042 1.00 0.00 H new ATOM 0 HB3 ARG A 61 53.629 -4.873 3.569 1.00 0.00 H new ATOM 0 HG2 ARG A 61 54.707 -2.938 2.423 1.00 0.00 H new ATOM 0 HG3 ARG A 61 54.653 -3.792 0.893 1.00 0.00 H new ATOM 0 HD2 ARG A 61 52.729 -2.265 1.016 1.00 0.00 H new ATOM 0 HD3 ARG A 61 52.144 -3.917 1.065 1.00 0.00 H new ATOM 0 HE ARG A 61 52.625 -3.030 3.761 1.00 0.00 H new ATOM 0 HH11 ARG A 61 50.500 -2.576 1.004 1.00 0.00 H new ATOM 0 HH12 ARG A 61 49.121 -2.081 1.992 1.00 0.00 H new ATOM 0 HH21 ARG A 61 50.859 -2.415 5.012 1.00 0.00 H new ATOM 0 HH22 ARG A 61 49.323 -1.991 4.249 1.00 0.00 H new ATOM 1002 N GLU A 62 55.228 -6.591 4.929 1.00 0.00 N ATOM 1003 CA GLU A 62 55.185 -7.691 5.897 1.00 0.00 C ATOM 1004 C GLU A 62 54.050 -8.670 5.601 1.00 0.00 C ATOM 1005 O GLU A 62 52.961 -8.270 5.189 1.00 0.00 O ATOM 1006 CB GLU A 62 54.989 -7.137 7.311 1.00 0.00 C ATOM 1007 CG GLU A 62 56.233 -6.363 7.746 1.00 0.00 C ATOM 1008 CD GLU A 62 56.002 -5.736 9.116 1.00 0.00 C ATOM 1009 OE1 GLU A 62 54.939 -5.956 9.674 1.00 0.00 O ATOM 1010 OE2 GLU A 62 56.888 -5.044 9.587 1.00 0.00 O ATOM 0 H GLU A 62 55.044 -5.671 5.330 1.00 0.00 H new ATOM 0 HA GLU A 62 56.134 -8.222 5.819 1.00 0.00 H new ATOM 0 HB2 GLU A 62 54.117 -6.484 7.337 1.00 0.00 H new ATOM 0 HB3 GLU A 62 54.797 -7.954 8.007 1.00 0.00 H new ATOM 0 HG2 GLU A 62 57.093 -7.031 7.783 1.00 0.00 H new ATOM 0 HG3 GLU A 62 56.463 -5.587 7.016 1.00 0.00 H new ATOM 1017 N GLY A 63 54.306 -9.955 5.844 1.00 0.00 N ATOM 1018 CA GLY A 63 53.282 -10.983 5.632 1.00 0.00 C ATOM 1019 C GLY A 63 53.162 -11.381 4.167 1.00 0.00 C ATOM 1020 O GLY A 63 52.273 -12.153 3.803 1.00 0.00 O ATOM 0 H GLY A 63 55.201 -10.308 6.183 1.00 0.00 H new ATOM 0 HA2 GLY A 63 53.524 -11.863 6.227 1.00 0.00 H new ATOM 0 HA3 GLY A 63 52.320 -10.614 5.987 1.00 0.00 H new ATOM 1024 N GLN A 64 54.047 -10.863 3.324 1.00 0.00 N ATOM 1025 CA GLN A 64 53.998 -11.189 1.904 1.00 0.00 C ATOM 1026 C GLN A 64 54.681 -12.517 1.619 1.00 0.00 C ATOM 1027 O GLN A 64 55.844 -12.725 1.966 1.00 0.00 O ATOM 1028 CB GLN A 64 54.664 -10.089 1.073 1.00 0.00 C ATOM 1029 CG GLN A 64 53.758 -8.856 1.034 1.00 0.00 C ATOM 1030 CD GLN A 64 54.327 -7.836 0.056 1.00 0.00 C ATOM 1031 OE1 GLN A 64 53.756 -6.760 -0.124 1.00 0.00 O ATOM 1032 NE2 GLN A 64 55.417 -8.118 -0.602 1.00 0.00 N ATOM 0 H GLN A 64 54.796 -10.225 3.593 1.00 0.00 H new ATOM 0 HA GLN A 64 52.947 -11.268 1.625 1.00 0.00 H new ATOM 0 HB2 GLN A 64 55.631 -9.829 1.504 1.00 0.00 H new ATOM 0 HB3 GLN A 64 54.852 -10.447 0.061 1.00 0.00 H new ATOM 0 HG2 GLN A 64 52.750 -9.142 0.732 1.00 0.00 H new ATOM 0 HG3 GLN A 64 53.680 -8.417 2.029 1.00 0.00 H new ATOM 0 HE21 GLN A 64 55.888 -9.010 -0.451 1.00 0.00 H new ATOM 0 HE22 GLN A 64 55.799 -7.446 -1.268 1.00 0.00 H new ATOM 1041 N VAL A 65 53.948 -13.398 0.945 1.00 0.00 N ATOM 1042 CA VAL A 65 54.467 -14.712 0.563 1.00 0.00 C ATOM 1043 C VAL A 65 54.377 -14.843 -0.951 1.00 0.00 C ATOM 1044 O VAL A 65 53.307 -14.669 -1.532 1.00 0.00 O ATOM 1045 CB VAL A 65 53.660 -15.822 1.247 1.00 0.00 C ATOM 1046 CG1 VAL A 65 52.160 -15.569 1.080 1.00 0.00 C ATOM 1047 CG2 VAL A 65 54.016 -17.182 0.637 1.00 0.00 C ATOM 0 H VAL A 65 52.987 -13.226 0.650 1.00 0.00 H new ATOM 0 HA VAL A 65 55.505 -14.809 0.880 1.00 0.00 H new ATOM 0 HB VAL A 65 53.907 -15.824 2.309 1.00 0.00 H new ATOM 0 HG11 VAL A 65 51.600 -16.365 1.571 1.00 0.00 H new ATOM 0 HG12 VAL A 65 51.900 -14.611 1.531 1.00 0.00 H new ATOM 0 HG13 VAL A 65 51.910 -15.550 0.019 1.00 0.00 H new ATOM 0 HG21 VAL A 65 53.438 -17.964 1.129 1.00 0.00 H new ATOM 0 HG22 VAL A 65 53.784 -17.175 -0.428 1.00 0.00 H new ATOM 0 HG23 VAL A 65 55.080 -17.376 0.775 1.00 0.00 H new ATOM 1057 N VAL A 66 55.509 -15.125 -1.587 1.00 0.00 N ATOM 1058 CA VAL A 66 55.537 -15.243 -3.048 1.00 0.00 C ATOM 1059 C VAL A 66 56.621 -16.233 -3.508 1.00 0.00 C ATOM 1060 O VAL A 66 57.605 -16.451 -2.806 1.00 0.00 O ATOM 1061 CB VAL A 66 55.791 -13.851 -3.672 1.00 0.00 C ATOM 1062 CG1 VAL A 66 54.470 -13.201 -4.109 1.00 0.00 C ATOM 1063 CG2 VAL A 66 56.456 -12.934 -2.643 1.00 0.00 C ATOM 0 H VAL A 66 56.407 -15.275 -1.127 1.00 0.00 H new ATOM 0 HA VAL A 66 54.572 -15.626 -3.382 1.00 0.00 H new ATOM 0 HB VAL A 66 56.437 -13.985 -4.539 1.00 0.00 H new ATOM 0 HG11 VAL A 66 54.673 -12.223 -4.545 1.00 0.00 H new ATOM 0 HG12 VAL A 66 53.980 -13.834 -4.849 1.00 0.00 H new ATOM 0 HG13 VAL A 66 53.818 -13.084 -3.243 1.00 0.00 H new ATOM 0 HG21 VAL A 66 56.632 -11.955 -3.088 1.00 0.00 H new ATOM 0 HG22 VAL A 66 55.804 -12.826 -1.776 1.00 0.00 H new ATOM 0 HG23 VAL A 66 57.406 -13.367 -2.330 1.00 0.00 H new ATOM 1073 N PRO A 67 56.458 -16.819 -4.676 1.00 0.00 N ATOM 1074 CA PRO A 67 57.449 -17.789 -5.240 1.00 0.00 C ATOM 1075 C PRO A 67 58.739 -17.090 -5.677 1.00 0.00 C ATOM 1076 O PRO A 67 58.722 -15.910 -6.028 1.00 0.00 O ATOM 1077 CB PRO A 67 56.703 -18.397 -6.438 1.00 0.00 C ATOM 1078 CG PRO A 67 55.765 -17.324 -6.877 1.00 0.00 C ATOM 1079 CD PRO A 67 55.324 -16.614 -5.597 1.00 0.00 C ATOM 0 HA PRO A 67 57.770 -18.536 -4.514 1.00 0.00 H new ATOM 0 HB2 PRO A 67 57.392 -18.673 -7.236 1.00 0.00 H new ATOM 0 HB3 PRO A 67 56.166 -19.302 -6.154 1.00 0.00 H new ATOM 0 HG2 PRO A 67 56.255 -16.631 -7.561 1.00 0.00 H new ATOM 0 HG3 PRO A 67 54.910 -17.744 -7.407 1.00 0.00 H new ATOM 0 HD2 PRO A 67 55.136 -15.555 -5.771 1.00 0.00 H new ATOM 0 HD3 PRO A 67 54.403 -17.040 -5.199 1.00 0.00 H new ATOM 1087 N VAL A 68 59.852 -17.820 -5.640 1.00 0.00 N ATOM 1088 CA VAL A 68 61.150 -17.261 -6.024 1.00 0.00 C ATOM 1089 C VAL A 68 61.130 -16.775 -7.473 1.00 0.00 C ATOM 1090 O VAL A 68 60.729 -17.499 -8.384 1.00 0.00 O ATOM 1091 CB VAL A 68 62.241 -18.335 -5.842 1.00 0.00 C ATOM 1092 CG1 VAL A 68 61.796 -19.642 -6.511 1.00 0.00 C ATOM 1093 CG2 VAL A 68 63.560 -17.877 -6.479 1.00 0.00 C ATOM 0 H VAL A 68 59.883 -18.797 -5.349 1.00 0.00 H new ATOM 0 HA VAL A 68 61.366 -16.405 -5.385 1.00 0.00 H new ATOM 0 HB VAL A 68 62.393 -18.493 -4.774 1.00 0.00 H new ATOM 0 HG11 VAL A 68 62.569 -20.399 -6.381 1.00 0.00 H new ATOM 0 HG12 VAL A 68 60.869 -19.988 -6.054 1.00 0.00 H new ATOM 0 HG13 VAL A 68 61.633 -19.469 -7.575 1.00 0.00 H new ATOM 0 HG21 VAL A 68 64.318 -18.648 -6.340 1.00 0.00 H new ATOM 0 HG22 VAL A 68 63.409 -17.704 -7.545 1.00 0.00 H new ATOM 0 HG23 VAL A 68 63.891 -16.953 -6.005 1.00 0.00 H new ATOM 1103 N GLY A 69 61.578 -15.533 -7.660 1.00 0.00 N ATOM 1104 CA GLY A 69 61.633 -14.914 -8.990 1.00 0.00 C ATOM 1105 C GLY A 69 60.935 -13.556 -8.986 1.00 0.00 C ATOM 1106 O GLY A 69 60.023 -13.320 -9.779 1.00 0.00 O ATOM 0 H GLY A 69 61.910 -14.932 -6.906 1.00 0.00 H new ATOM 0 HA2 GLY A 69 62.672 -14.793 -9.297 1.00 0.00 H new ATOM 0 HA3 GLY A 69 61.159 -15.569 -9.721 1.00 0.00 H new ATOM 1110 N SER A 70 61.357 -12.666 -8.085 1.00 0.00 N ATOM 1111 CA SER A 70 60.752 -11.338 -7.994 1.00 0.00 C ATOM 1112 C SER A 70 61.725 -10.326 -7.394 1.00 0.00 C ATOM 1113 O SER A 70 62.746 -10.696 -6.812 1.00 0.00 O ATOM 1114 CB SER A 70 59.490 -11.394 -7.136 1.00 0.00 C ATOM 1115 OG SER A 70 58.562 -12.306 -7.708 1.00 0.00 O ATOM 0 H SER A 70 62.107 -12.839 -7.416 1.00 0.00 H new ATOM 0 HA SER A 70 60.498 -11.019 -9.005 1.00 0.00 H new ATOM 0 HB2 SER A 70 59.742 -11.704 -6.122 1.00 0.00 H new ATOM 0 HB3 SER A 70 59.043 -10.402 -7.064 1.00 0.00 H new ATOM 0 HG SER A 70 57.754 -12.341 -7.154 1.00 0.00 H new ATOM 1121 N THR A 71 61.386 -9.045 -7.528 1.00 0.00 N ATOM 1122 CA THR A 71 62.217 -7.964 -6.992 1.00 0.00 C ATOM 1123 C THR A 71 61.726 -7.557 -5.605 1.00 0.00 C ATOM 1124 O THR A 71 60.623 -7.033 -5.456 1.00 0.00 O ATOM 1125 CB THR A 71 62.153 -6.756 -7.939 1.00 0.00 C ATOM 1126 OG1 THR A 71 62.851 -7.064 -9.139 1.00 0.00 O ATOM 1127 CG2 THR A 71 62.783 -5.527 -7.278 1.00 0.00 C ATOM 0 H THR A 71 60.541 -8.728 -8.003 1.00 0.00 H new ATOM 0 HA THR A 71 63.247 -8.313 -6.910 1.00 0.00 H new ATOM 0 HB THR A 71 61.110 -6.535 -8.165 1.00 0.00 H new ATOM 0 HG1 THR A 71 62.811 -6.296 -9.747 1.00 0.00 H new ATOM 0 HG21 THR A 71 62.730 -4.679 -7.961 1.00 0.00 H new ATOM 0 HG22 THR A 71 62.242 -5.289 -6.362 1.00 0.00 H new ATOM 0 HG23 THR A 71 63.826 -5.736 -7.040 1.00 0.00 H new ATOM 1135 N LEU A 72 62.558 -7.800 -4.594 1.00 0.00 N ATOM 1136 CA LEU A 72 62.196 -7.457 -3.221 1.00 0.00 C ATOM 1137 C LEU A 72 62.201 -5.943 -3.001 1.00 0.00 C ATOM 1138 O LEU A 72 61.273 -5.393 -2.409 1.00 0.00 O ATOM 1139 CB LEU A 72 63.192 -8.094 -2.251 1.00 0.00 C ATOM 1140 CG LEU A 72 63.136 -9.624 -2.349 1.00 0.00 C ATOM 1141 CD1 LEU A 72 64.240 -10.218 -1.464 1.00 0.00 C ATOM 1142 CD2 LEU A 72 61.760 -10.145 -1.898 1.00 0.00 C ATOM 0 H LEU A 72 63.478 -8.229 -4.698 1.00 0.00 H new ATOM 0 HA LEU A 72 61.189 -7.834 -3.040 1.00 0.00 H new ATOM 0 HB2 LEU A 72 64.200 -7.746 -2.476 1.00 0.00 H new ATOM 0 HB3 LEU A 72 62.967 -7.781 -1.232 1.00 0.00 H new ATOM 0 HG LEU A 72 63.289 -9.925 -3.385 1.00 0.00 H new ATOM 0 HD11 LEU A 72 64.210 -11.306 -1.526 1.00 0.00 H new ATOM 0 HD12 LEU A 72 65.212 -9.862 -1.806 1.00 0.00 H new ATOM 0 HD13 LEU A 72 64.084 -9.909 -0.431 1.00 0.00 H new ATOM 0 HD21 LEU A 72 61.740 -11.232 -1.975 1.00 0.00 H new ATOM 0 HD22 LEU A 72 61.581 -9.851 -0.864 1.00 0.00 H new ATOM 0 HD23 LEU A 72 60.984 -9.722 -2.536 1.00 0.00 H new ATOM 1154 N LEU A 73 63.261 -5.287 -3.464 1.00 0.00 N ATOM 1155 CA LEU A 73 63.408 -3.840 -3.297 1.00 0.00 C ATOM 1156 C LEU A 73 64.442 -3.323 -4.316 1.00 0.00 C ATOM 1157 O LEU A 73 65.252 -4.100 -4.823 1.00 0.00 O ATOM 1158 CB LEU A 73 63.783 -3.573 -1.798 1.00 0.00 C ATOM 1159 CG LEU A 73 64.949 -2.579 -1.604 1.00 0.00 C ATOM 1160 CD1 LEU A 73 64.479 -1.132 -1.813 1.00 0.00 C ATOM 1161 CD2 LEU A 73 65.493 -2.714 -0.171 1.00 0.00 C ATOM 0 H LEU A 73 64.033 -5.733 -3.959 1.00 0.00 H new ATOM 0 HA LEU A 73 62.488 -3.292 -3.502 1.00 0.00 H new ATOM 0 HB2 LEU A 73 62.905 -3.191 -1.278 1.00 0.00 H new ATOM 0 HB3 LEU A 73 64.046 -4.520 -1.327 1.00 0.00 H new ATOM 0 HG LEU A 73 65.723 -2.810 -2.336 1.00 0.00 H new ATOM 0 HD11 LEU A 73 65.319 -0.452 -1.671 1.00 0.00 H new ATOM 0 HD12 LEU A 73 64.088 -1.019 -2.824 1.00 0.00 H new ATOM 0 HD13 LEU A 73 63.696 -0.896 -1.093 1.00 0.00 H new ATOM 0 HD21 LEU A 73 66.317 -2.015 -0.027 1.00 0.00 H new ATOM 0 HD22 LEU A 73 64.699 -2.491 0.542 1.00 0.00 H new ATOM 0 HD23 LEU A 73 65.849 -3.732 -0.011 1.00 0.00 H new ATOM 1173 N GLN A 74 64.401 -2.022 -4.644 1.00 0.00 N ATOM 1174 CA GLN A 74 65.337 -1.451 -5.635 1.00 0.00 C ATOM 1175 C GLN A 74 66.447 -0.659 -4.949 1.00 0.00 C ATOM 1176 O GLN A 74 66.180 0.204 -4.115 1.00 0.00 O ATOM 1177 CB GLN A 74 64.581 -0.523 -6.586 1.00 0.00 C ATOM 1178 CG GLN A 74 65.539 0.025 -7.646 1.00 0.00 C ATOM 1179 CD GLN A 74 64.752 0.813 -8.688 1.00 0.00 C ATOM 1180 OE1 GLN A 74 63.535 0.669 -8.784 1.00 0.00 O ATOM 1181 NE2 GLN A 74 65.380 1.643 -9.477 1.00 0.00 N ATOM 0 H GLN A 74 63.742 -1.352 -4.247 1.00 0.00 H new ATOM 0 HA GLN A 74 65.784 -2.276 -6.190 1.00 0.00 H new ATOM 0 HB2 GLN A 74 63.765 -1.064 -7.065 1.00 0.00 H new ATOM 0 HB3 GLN A 74 64.133 0.299 -6.027 1.00 0.00 H new ATOM 0 HG2 GLN A 74 66.286 0.666 -7.179 1.00 0.00 H new ATOM 0 HG3 GLN A 74 66.076 -0.794 -8.124 1.00 0.00 H new ATOM 0 HE21 GLN A 74 66.390 1.760 -9.394 1.00 0.00 H new ATOM 0 HE22 GLN A 74 64.861 2.174 -10.176 1.00 0.00 H new ATOM 1190 N ILE A 75 67.700 -0.978 -5.296 1.00 0.00 N ATOM 1191 CA ILE A 75 68.861 -0.315 -4.684 1.00 0.00 C ATOM 1192 C ILE A 75 69.816 0.256 -5.725 1.00 0.00 C ATOM 1193 O ILE A 75 70.245 -0.439 -6.647 1.00 0.00 O ATOM 1194 CB ILE A 75 69.602 -1.342 -3.821 1.00 0.00 C ATOM 1195 CG1 ILE A 75 68.688 -1.818 -2.666 1.00 0.00 C ATOM 1196 CG2 ILE A 75 70.875 -0.725 -3.229 1.00 0.00 C ATOM 1197 CD1 ILE A 75 69.085 -3.237 -2.234 1.00 0.00 C ATOM 0 H ILE A 75 67.936 -1.685 -5.992 1.00 0.00 H new ATOM 0 HA ILE A 75 68.502 0.521 -4.083 1.00 0.00 H new ATOM 0 HB ILE A 75 69.872 -2.189 -4.451 1.00 0.00 H new ATOM 0 HG12 ILE A 75 68.771 -1.135 -1.821 1.00 0.00 H new ATOM 0 HG13 ILE A 75 67.646 -1.804 -2.986 1.00 0.00 H new ATOM 0 HG21 ILE A 75 71.389 -1.467 -2.619 1.00 0.00 H new ATOM 0 HG22 ILE A 75 71.532 -0.401 -4.036 1.00 0.00 H new ATOM 0 HG23 ILE A 75 70.610 0.132 -2.610 1.00 0.00 H new ATOM 0 HD11 ILE A 75 68.437 -3.564 -1.421 1.00 0.00 H new ATOM 0 HD12 ILE A 75 68.979 -3.918 -3.079 1.00 0.00 H new ATOM 0 HD13 ILE A 75 70.121 -3.238 -1.895 1.00 0.00 H new ATOM 1209 N ASP A 76 70.154 1.534 -5.555 1.00 0.00 N ATOM 1210 CA ASP A 76 71.077 2.217 -6.466 1.00 0.00 C ATOM 1211 C ASP A 76 72.475 2.284 -5.855 1.00 0.00 C ATOM 1212 O ASP A 76 72.681 2.933 -4.829 1.00 0.00 O ATOM 1213 CB ASP A 76 70.595 3.643 -6.741 1.00 0.00 C ATOM 1214 CG ASP A 76 69.331 3.626 -7.593 1.00 0.00 C ATOM 1215 OD1 ASP A 76 69.056 2.600 -8.195 1.00 0.00 O ATOM 1216 OD2 ASP A 76 68.659 4.643 -7.641 1.00 0.00 O ATOM 0 H ASP A 76 69.804 2.118 -4.796 1.00 0.00 H new ATOM 0 HA ASP A 76 71.109 1.653 -7.398 1.00 0.00 H new ATOM 0 HB2 ASP A 76 70.398 4.154 -5.799 1.00 0.00 H new ATOM 0 HB3 ASP A 76 71.377 4.205 -7.252 1.00 0.00 H new ATOM 1221 N THR A 77 73.435 1.623 -6.488 1.00 0.00 N ATOM 1222 CA THR A 77 74.804 1.634 -5.989 1.00 0.00 C ATOM 1223 C THR A 77 75.350 3.058 -5.975 1.00 0.00 C ATOM 1224 O THR A 77 74.746 3.907 -6.610 1.00 0.00 O ATOM 1225 CB THR A 77 75.696 0.757 -6.870 1.00 0.00 C ATOM 1226 OG1 THR A 77 77.054 0.945 -6.499 1.00 0.00 O ATOM 1227 CG2 THR A 77 75.507 1.146 -8.337 1.00 0.00 C ATOM 1228 OXT THR A 77 76.360 3.281 -5.330 1.00 0.00 O ATOM 0 H THR A 77 73.294 1.078 -7.339 1.00 0.00 H new ATOM 0 HA THR A 77 74.802 1.240 -4.973 1.00 0.00 H new ATOM 0 HB THR A 77 75.424 -0.290 -6.737 1.00 0.00 H new ATOM 0 HG1 THR A 77 77.128 1.730 -5.917 1.00 0.00 H new ATOM 0 HG21 THR A 77 76.143 0.521 -8.964 1.00 0.00 H new ATOM 0 HG22 THR A 77 74.464 1.002 -8.620 1.00 0.00 H new ATOM 0 HG23 THR A 77 75.779 2.193 -8.474 1.00 0.00 H new