USER MOD reduce.3.24.130724 H: found=0, std=0, add=854, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 854 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 86 TYR OH : rot 174:sc= 0 USER MOD Set 1.2: A 124 SER OG : rot -105:sc= 1.29 USER MOD Set 2.1: A 118 GLN : amide:sc= -0.0994 X(o=-0.099,f=-0.29) USER MOD Set 2.2: A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 67 ASN : amide:sc= 1.83 K(o=1.8,f=-0.68) USER MOD Set 3.2: A 68 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 46 SER OG : rot -135:sc= 1.3 USER MOD Set 4.2: A 50 GLN : amide:sc= 1.55 K(o=2.9,f=0.99) USER MOD Set 5.1: A 40 MET CE :methyl -153:sc= -1.02 (180deg=-2.3) USER MOD Set 5.2: A 43 MET CE :methyl 174:sc= -1.43 (180deg=-1.38) USER MOD Set 6.1: A 36 GLN : amide:sc= -0.339 K(o=0.025,f=-5.2!) USER MOD Set 6.2: A 81 SER OG : rot 86:sc= 0.364 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.014 USER MOD Single : A 11 ASN : amide:sc= -0.071 K(o=-0.071,f=-8.1!) USER MOD Single : A 13 ASN : amide:sc= -0.0157 X(o=-0.016,f=0) USER MOD Single : A 16 MET CE :methyl -179:sc= -4.79! (180deg=-4.79!) USER MOD Single : A 17 THR OG1 : rot 54:sc= 1.22 USER MOD Single : A 18 MET CE :methyl -157:sc= 0 (180deg=-0.0665) USER MOD Single : A 19 THR OG1 : rot 4:sc= 0.808 USER MOD Single : A 20 ASN : amide:sc= -0.0969 K(o=-0.097,f=-0.8) USER MOD Single : A 21 ASN : amide:sc= -0.407 K(o=-0.41,f=-1.1) USER MOD Single : A 24 GLN :FLIP amide:sc= -0.0128 F(o=-1,f=-0.013) USER MOD Single : A 27 SER OG : rot 27:sc= 0.146 USER MOD Single : A 29 SER OG : rot -93:sc= 1.51 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.583 USER MOD Single : A 37 MET CE :methyl 174:sc= -0.498 (180deg=-0.612) USER MOD Single : A 42 MET CE :methyl 147:sc= -0.157 (180deg=-0.95) USER MOD Single : A 48 ASN :FLIP amide:sc= -0.341 F(o=-0.85!,f=-0.34) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 MET CE :methyl 140:sc= -2.31 (180deg=-2.51) USER MOD Single : A 52 GLN : amide:sc= 0.00259 X(o=0.0026,f=0) USER MOD Single : A 53 LYS NZ :NH3+ -168:sc=-0.00637 (180deg=-0.141) USER MOD Single : A 54 MET CE :methyl 132:sc= -1.56 (180deg=-2.86!) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 GLN : amide:sc= -0.0182! C(o=-0.018!,f=-4.2!) USER MOD Single : A 61 HIS : no HD1:sc= -0.0581 X(o=-0.058,f=-0.00022) USER MOD Single : A 66 MET CE :methyl -138:sc= -0.746 (180deg=-1.32) USER MOD Single : A 70 MET CE :methyl -169:sc= 0 (180deg=-0.0925) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=-0.5) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0.0271 USER MOD Single : A 91 ASN : amide:sc=-0.00228 K(o=-0.0023,f=-1.1) USER MOD Single : A 92 THR OG1 : rot 78:sc= 0.101 USER MOD Single : A 100 SER OG : rot -80:sc= 0.98 USER MOD Single : A 101 MET CE :methyl -150:sc= -0.215 (180deg=-2.42) USER MOD Single : A 102 MET CE :methyl -151:sc= -0.408 (180deg=-1.44!) USER MOD Single : A 103 GLN : amide:sc= -1.15 K(o=-1.2,f=-2.8!) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 110 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 113 THR OG1 : rot 135:sc= 1.4 USER MOD Single : A 114 ASN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 117 MET CE :methyl -149:sc= -1.22 (180deg=-3.07!) USER MOD Single : A 122 MET CE :methyl -153:sc= -0.26 (180deg=-0.936) USER MOD ----------------------------------------------------------------- ATOM 81 N ILE A 8 9.316 8.331 -3.886 1.00 0.00 N ATOM 82 CA ILE A 8 8.802 9.329 -2.944 1.00 0.00 C ATOM 83 C ILE A 8 8.093 10.494 -3.655 1.00 0.00 C ATOM 84 O ILE A 8 7.280 11.201 -3.057 1.00 0.00 O ATOM 85 CB ILE A 8 9.954 9.869 -2.059 1.00 0.00 C ATOM 86 CG1 ILE A 8 9.451 10.896 -1.041 1.00 0.00 C ATOM 87 CG2 ILE A 8 11.056 10.470 -2.920 1.00 0.00 C ATOM 88 CD1 ILE A 8 8.518 10.327 0.003 1.00 0.00 C ATOM 0 HA ILE A 8 8.061 8.831 -2.319 1.00 0.00 H new ATOM 0 HB ILE A 8 10.363 9.025 -1.504 1.00 0.00 H new ATOM 0 HG12 ILE A 8 10.309 11.345 -0.540 1.00 0.00 H new ATOM 0 HG13 ILE A 8 8.938 11.697 -1.573 1.00 0.00 H new ATOM 0 HG21 ILE A 8 11.855 10.843 -2.280 1.00 0.00 H new ATOM 0 HG22 ILE A 8 11.453 9.706 -3.588 1.00 0.00 H new ATOM 0 HG23 ILE A 8 10.650 11.292 -3.510 1.00 0.00 H new ATOM 0 HD11 ILE A 8 8.208 11.119 0.685 1.00 0.00 H new ATOM 0 HD12 ILE A 8 7.640 9.904 -0.485 1.00 0.00 H new ATOM 0 HD13 ILE A 8 9.032 9.546 0.564 1.00 0.00 H new ATOM 100 N TRP A 9 8.374 10.668 -4.941 1.00 0.00 N ATOM 101 CA TRP A 9 7.773 11.745 -5.722 1.00 0.00 C ATOM 102 C TRP A 9 6.393 11.331 -6.240 1.00 0.00 C ATOM 103 O TRP A 9 5.985 11.737 -7.325 1.00 0.00 O ATOM 104 CB TRP A 9 8.669 12.104 -6.912 1.00 0.00 C ATOM 105 CG TRP A 9 10.086 12.431 -6.544 1.00 0.00 C ATOM 106 CD1 TRP A 9 11.139 11.563 -6.500 1.00 0.00 C ATOM 107 CD2 TRP A 9 10.613 13.717 -6.185 1.00 0.00 C ATOM 108 NE1 TRP A 9 12.283 12.226 -6.129 1.00 0.00 N ATOM 109 CE2 TRP A 9 11.986 13.548 -5.931 1.00 0.00 C ATOM 110 CE3 TRP A 9 10.057 14.993 -6.056 1.00 0.00 C ATOM 111 CZ2 TRP A 9 12.811 14.607 -5.553 1.00 0.00 C ATOM 112 CZ3 TRP A 9 10.875 16.043 -5.678 1.00 0.00 C ATOM 113 CH2 TRP A 9 12.238 15.844 -5.432 1.00 0.00 C ATOM 0 H TRP A 9 9.016 10.076 -5.467 1.00 0.00 H new ATOM 0 HA TRP A 9 7.666 12.613 -5.071 1.00 0.00 H new ATOM 0 HB2 TRP A 9 8.672 11.270 -7.614 1.00 0.00 H new ATOM 0 HB3 TRP A 9 8.236 12.958 -7.433 1.00 0.00 H new ATOM 0 HD1 TRP A 9 11.081 10.508 -6.724 1.00 0.00 H new ATOM 0 HE1 TRP A 9 13.204 11.802 -6.019 1.00 0.00 H new ATOM 0 HE3 TRP A 9 9.007 15.157 -6.248 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 13.863 14.456 -5.363 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 10.455 17.032 -5.571 1.00 0.00 H new ATOM 0 HH2 TRP A 9 12.851 16.684 -5.141 1.00 0.00 H new ATOM 124 N THR A 10 5.676 10.534 -5.455 1.00 0.00 N ATOM 125 CA THR A 10 4.370 10.031 -5.860 1.00 0.00 C ATOM 126 C THR A 10 3.391 11.180 -6.084 1.00 0.00 C ATOM 127 O THR A 10 2.693 11.234 -7.101 1.00 0.00 O ATOM 128 CB THR A 10 3.786 9.078 -4.801 1.00 0.00 C ATOM 129 OG1 THR A 10 4.831 8.297 -4.212 1.00 0.00 O ATOM 130 CG2 THR A 10 2.750 8.150 -5.423 1.00 0.00 C ATOM 0 H THR A 10 5.979 10.222 -4.532 1.00 0.00 H new ATOM 0 HA THR A 10 4.512 9.485 -6.793 1.00 0.00 H new ATOM 0 HB THR A 10 3.303 9.680 -4.031 1.00 0.00 H new ATOM 0 HG1 THR A 10 4.450 7.695 -3.539 1.00 0.00 H new ATOM 0 HG21 THR A 10 2.350 7.485 -4.657 1.00 0.00 H new ATOM 0 HG22 THR A 10 1.940 8.742 -5.848 1.00 0.00 H new ATOM 0 HG23 THR A 10 3.218 7.558 -6.209 1.00 0.00 H new ATOM 138 N ASN A 11 3.346 12.102 -5.130 1.00 0.00 N ATOM 139 CA ASN A 11 2.474 13.247 -5.219 1.00 0.00 C ATOM 140 C ASN A 11 3.150 14.456 -4.570 1.00 0.00 C ATOM 141 O ASN A 11 4.105 14.299 -3.802 1.00 0.00 O ATOM 142 CB ASN A 11 1.114 12.924 -4.574 1.00 0.00 C ATOM 143 CG ASN A 11 1.053 13.130 -3.069 1.00 0.00 C ATOM 144 OD1 ASN A 11 2.041 13.025 -2.367 1.00 0.00 O ATOM 145 ND2 ASN A 11 -0.134 13.405 -2.567 1.00 0.00 N ATOM 0 H ASN A 11 3.912 12.070 -4.282 1.00 0.00 H new ATOM 0 HA ASN A 11 2.286 13.493 -6.264 1.00 0.00 H new ATOM 0 HB2 ASN A 11 0.350 13.545 -5.042 1.00 0.00 H new ATOM 0 HB3 ASN A 11 0.861 11.887 -4.794 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -0.244 13.537 -1.562 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -0.942 13.486 -3.184 1.00 0.00 H new ATOM 152 N PRO A 12 2.686 15.670 -4.898 1.00 0.00 N ATOM 153 CA PRO A 12 3.256 16.919 -4.381 1.00 0.00 C ATOM 154 C PRO A 12 3.473 16.916 -2.870 1.00 0.00 C ATOM 155 O PRO A 12 4.555 17.260 -2.390 1.00 0.00 O ATOM 156 CB PRO A 12 2.212 17.968 -4.768 1.00 0.00 C ATOM 157 CG PRO A 12 1.550 17.416 -5.983 1.00 0.00 C ATOM 158 CD PRO A 12 1.580 15.917 -5.836 1.00 0.00 C ATOM 0 HA PRO A 12 4.249 17.098 -4.792 1.00 0.00 H new ATOM 0 HB2 PRO A 12 1.494 18.127 -3.964 1.00 0.00 H new ATOM 0 HB3 PRO A 12 2.677 18.932 -4.974 1.00 0.00 H new ATOM 0 HG2 PRO A 12 0.525 17.778 -6.066 1.00 0.00 H new ATOM 0 HG3 PRO A 12 2.073 17.729 -6.887 1.00 0.00 H new ATOM 0 HD2 PRO A 12 0.636 15.536 -5.448 1.00 0.00 H new ATOM 0 HD3 PRO A 12 1.752 15.426 -6.794 1.00 0.00 H new ATOM 166 N ASN A 13 2.452 16.512 -2.127 1.00 0.00 N ATOM 167 CA ASN A 13 2.517 16.534 -0.668 1.00 0.00 C ATOM 168 C ASN A 13 3.620 15.618 -0.155 1.00 0.00 C ATOM 169 O ASN A 13 4.377 15.986 0.737 1.00 0.00 O ATOM 170 CB ASN A 13 1.172 16.122 -0.063 1.00 0.00 C ATOM 171 CG ASN A 13 1.163 16.204 1.455 1.00 0.00 C ATOM 172 OD1 ASN A 13 0.886 17.255 2.030 1.00 0.00 O ATOM 173 ND2 ASN A 13 1.443 15.090 2.114 1.00 0.00 N ATOM 0 H ASN A 13 1.571 16.166 -2.506 1.00 0.00 H new ATOM 0 HA ASN A 13 2.746 17.554 -0.360 1.00 0.00 H new ATOM 0 HB2 ASN A 13 0.387 16.764 -0.462 1.00 0.00 H new ATOM 0 HB3 ASN A 13 0.937 15.103 -0.369 1.00 0.00 H new ATOM 0 HD21 ASN A 13 1.433 15.085 3.134 1.00 0.00 H new ATOM 0 HD22 ASN A 13 1.668 14.237 1.602 1.00 0.00 H new ATOM 180 N ALA A 14 3.727 14.443 -0.752 1.00 0.00 N ATOM 181 CA ALA A 14 4.657 13.421 -0.285 1.00 0.00 C ATOM 182 C ALA A 14 6.099 13.864 -0.475 1.00 0.00 C ATOM 183 O ALA A 14 6.935 13.715 0.419 1.00 0.00 O ATOM 184 CB ALA A 14 4.405 12.112 -1.021 1.00 0.00 C ATOM 0 H ALA A 14 3.178 14.169 -1.567 1.00 0.00 H new ATOM 0 HA ALA A 14 4.490 13.269 0.781 1.00 0.00 H new ATOM 0 HB1 ALA A 14 5.104 11.355 -0.666 1.00 0.00 H new ATOM 0 HB2 ALA A 14 3.384 11.780 -0.833 1.00 0.00 H new ATOM 0 HB3 ALA A 14 4.547 12.263 -2.091 1.00 0.00 H new ATOM 190 N ALA A 15 6.370 14.434 -1.634 1.00 0.00 N ATOM 191 CA ALA A 15 7.713 14.856 -1.989 1.00 0.00 C ATOM 192 C ALA A 15 8.109 16.118 -1.243 1.00 0.00 C ATOM 193 O ALA A 15 9.208 16.212 -0.702 1.00 0.00 O ATOM 194 CB ALA A 15 7.811 15.078 -3.486 1.00 0.00 C ATOM 0 H ALA A 15 5.670 14.617 -2.353 1.00 0.00 H new ATOM 0 HA ALA A 15 8.404 14.064 -1.699 1.00 0.00 H new ATOM 0 HB1 ALA A 15 8.822 15.394 -3.741 1.00 0.00 H new ATOM 0 HB2 ALA A 15 7.579 14.150 -4.008 1.00 0.00 H new ATOM 0 HB3 ALA A 15 7.103 15.850 -3.786 1.00 0.00 H new ATOM 200 N MET A 16 7.202 17.083 -1.201 1.00 0.00 N ATOM 201 CA MET A 16 7.484 18.356 -0.562 1.00 0.00 C ATOM 202 C MET A 16 7.695 18.184 0.934 1.00 0.00 C ATOM 203 O MET A 16 8.494 18.896 1.538 1.00 0.00 O ATOM 204 CB MET A 16 6.355 19.349 -0.832 1.00 0.00 C ATOM 205 CG MET A 16 6.732 20.482 -1.774 1.00 0.00 C ATOM 206 SD MET A 16 8.047 21.549 -1.139 1.00 0.00 S ATOM 207 CE MET A 16 9.499 20.869 -1.944 1.00 0.00 C ATOM 0 H MET A 16 6.267 17.007 -1.601 1.00 0.00 H new ATOM 0 HA MET A 16 8.406 18.750 -0.988 1.00 0.00 H new ATOM 0 HB2 MET A 16 5.505 18.810 -1.252 1.00 0.00 H new ATOM 0 HB3 MET A 16 6.026 19.774 0.116 1.00 0.00 H new ATOM 0 HG2 MET A 16 7.048 20.060 -2.728 1.00 0.00 H new ATOM 0 HG3 MET A 16 5.848 21.088 -1.971 1.00 0.00 H new ATOM 0 HE1 MET A 16 10.383 21.422 -1.627 1.00 0.00 H new ATOM 0 HE2 MET A 16 9.609 19.820 -1.670 1.00 0.00 H new ATOM 0 HE3 MET A 16 9.388 20.952 -3.025 1.00 0.00 H new ATOM 217 N THR A 17 7.000 17.218 1.521 1.00 0.00 N ATOM 218 CA THR A 17 7.121 16.960 2.948 1.00 0.00 C ATOM 219 C THR A 17 8.563 16.634 3.336 1.00 0.00 C ATOM 220 O THR A 17 9.116 17.256 4.239 1.00 0.00 O ATOM 221 CB THR A 17 6.174 15.826 3.400 1.00 0.00 C ATOM 222 OG1 THR A 17 4.813 16.243 3.245 1.00 0.00 O ATOM 223 CG2 THR A 17 6.421 15.440 4.853 1.00 0.00 C ATOM 0 H THR A 17 6.349 16.603 1.032 1.00 0.00 H new ATOM 0 HA THR A 17 6.827 17.874 3.464 1.00 0.00 H new ATOM 0 HB THR A 17 6.372 14.955 2.776 1.00 0.00 H new ATOM 0 HG1 THR A 17 4.666 16.546 2.324 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.738 14.640 5.138 1.00 0.00 H new ATOM 0 HG22 THR A 17 7.449 15.098 4.969 1.00 0.00 H new ATOM 0 HG23 THR A 17 6.253 16.306 5.493 1.00 0.00 H new ATOM 231 N MET A 18 9.187 15.693 2.637 1.00 0.00 N ATOM 232 CA MET A 18 10.550 15.294 2.987 1.00 0.00 C ATOM 233 C MET A 18 11.548 16.408 2.676 1.00 0.00 C ATOM 234 O MET A 18 12.519 16.602 3.408 1.00 0.00 O ATOM 235 CB MET A 18 10.945 13.971 2.308 1.00 0.00 C ATOM 236 CG MET A 18 10.801 13.941 0.792 1.00 0.00 C ATOM 237 SD MET A 18 12.153 14.759 -0.081 1.00 0.00 S ATOM 238 CE MET A 18 11.731 14.356 -1.772 1.00 0.00 C ATOM 0 H MET A 18 8.784 15.199 1.841 1.00 0.00 H new ATOM 0 HA MET A 18 10.577 15.121 4.063 1.00 0.00 H new ATOM 0 HB2 MET A 18 11.982 13.749 2.561 1.00 0.00 H new ATOM 0 HB3 MET A 18 10.336 13.171 2.729 1.00 0.00 H new ATOM 0 HG2 MET A 18 10.742 12.904 0.462 1.00 0.00 H new ATOM 0 HG3 MET A 18 9.861 14.418 0.516 1.00 0.00 H new ATOM 0 HE1 MET A 18 12.625 14.413 -2.393 1.00 0.00 H new ATOM 0 HE2 MET A 18 11.323 13.346 -1.814 1.00 0.00 H new ATOM 0 HE3 MET A 18 10.988 15.063 -2.140 1.00 0.00 H new ATOM 248 N THR A 19 11.280 17.162 1.619 1.00 0.00 N ATOM 249 CA THR A 19 12.123 18.288 1.251 1.00 0.00 C ATOM 250 C THR A 19 12.064 19.385 2.323 1.00 0.00 C ATOM 251 O THR A 19 13.093 19.911 2.753 1.00 0.00 O ATOM 252 CB THR A 19 11.676 18.864 -0.104 1.00 0.00 C ATOM 253 OG1 THR A 19 11.672 17.829 -1.099 1.00 0.00 O ATOM 254 CG2 THR A 19 12.587 19.994 -0.547 1.00 0.00 C ATOM 0 H THR A 19 10.483 17.013 1.000 1.00 0.00 H new ATOM 0 HA THR A 19 13.150 17.932 1.171 1.00 0.00 H new ATOM 0 HB THR A 19 10.668 19.262 0.014 1.00 0.00 H new ATOM 0 HG1 THR A 19 11.890 16.971 -0.679 1.00 0.00 H new ATOM 0 HG21 THR A 19 12.246 20.381 -1.507 1.00 0.00 H new ATOM 0 HG22 THR A 19 12.564 20.792 0.195 1.00 0.00 H new ATOM 0 HG23 THR A 19 13.606 19.622 -0.647 1.00 0.00 H new ATOM 262 N ASN A 20 10.853 19.704 2.768 1.00 0.00 N ATOM 263 CA ASN A 20 10.644 20.752 3.760 1.00 0.00 C ATOM 264 C ASN A 20 11.108 20.316 5.145 1.00 0.00 C ATOM 265 O ASN A 20 11.595 21.137 5.926 1.00 0.00 O ATOM 266 CB ASN A 20 9.170 21.155 3.793 1.00 0.00 C ATOM 267 CG ASN A 20 8.792 22.052 2.630 1.00 0.00 C ATOM 268 OD1 ASN A 20 9.568 22.914 2.215 1.00 0.00 O ATOM 269 ND2 ASN A 20 7.613 21.835 2.076 1.00 0.00 N ATOM 0 H ASN A 20 9.996 19.248 2.455 1.00 0.00 H new ATOM 0 HA ASN A 20 11.245 21.614 3.469 1.00 0.00 H new ATOM 0 HB2 ASN A 20 8.550 20.259 3.774 1.00 0.00 H new ATOM 0 HB3 ASN A 20 8.957 21.670 4.730 1.00 0.00 H new ATOM 0 HD21 ASN A 20 7.316 22.391 1.274 1.00 0.00 H new ATOM 0 HD22 ASN A 20 6.999 21.111 2.450 1.00 0.00 H new ATOM 276 N ASN A 21 10.965 19.029 5.451 1.00 0.00 N ATOM 277 CA ASN A 21 11.440 18.493 6.723 1.00 0.00 C ATOM 278 C ASN A 21 12.957 18.592 6.808 1.00 0.00 C ATOM 279 O ASN A 21 13.520 18.789 7.882 1.00 0.00 O ATOM 280 CB ASN A 21 11.023 17.035 6.909 1.00 0.00 C ATOM 281 CG ASN A 21 9.549 16.855 7.204 1.00 0.00 C ATOM 282 OD1 ASN A 21 8.892 17.739 7.746 1.00 0.00 O ATOM 283 ND2 ASN A 21 9.025 15.687 6.862 1.00 0.00 N ATOM 0 H ASN A 21 10.526 18.341 4.839 1.00 0.00 H new ATOM 0 HA ASN A 21 10.986 19.089 7.515 1.00 0.00 H new ATOM 0 HB2 ASN A 21 11.275 16.477 6.007 1.00 0.00 H new ATOM 0 HB3 ASN A 21 11.603 16.602 7.724 1.00 0.00 H new ATOM 0 HD21 ASN A 21 8.040 15.496 7.048 1.00 0.00 H new ATOM 0 HD22 ASN A 21 9.606 14.979 6.413 1.00 0.00 H new ATOM 290 N LEU A 22 13.612 18.454 5.664 1.00 0.00 N ATOM 291 CA LEU A 22 15.061 18.574 5.591 1.00 0.00 C ATOM 292 C LEU A 22 15.476 19.977 6.013 1.00 0.00 C ATOM 293 O LEU A 22 16.445 20.162 6.755 1.00 0.00 O ATOM 294 CB LEU A 22 15.545 18.281 4.166 1.00 0.00 C ATOM 295 CG LEU A 22 17.050 18.446 3.933 1.00 0.00 C ATOM 296 CD1 LEU A 22 17.840 17.465 4.783 1.00 0.00 C ATOM 297 CD2 LEU A 22 17.386 18.267 2.458 1.00 0.00 C ATOM 0 H LEU A 22 13.161 18.258 4.770 1.00 0.00 H new ATOM 0 HA LEU A 22 15.517 17.849 6.265 1.00 0.00 H new ATOM 0 HB2 LEU A 22 15.265 17.259 3.909 1.00 0.00 H new ATOM 0 HB3 LEU A 22 15.014 18.939 3.478 1.00 0.00 H new ATOM 0 HG LEU A 22 17.331 19.456 4.231 1.00 0.00 H new ATOM 0 HD11 LEU A 22 18.906 17.601 4.600 1.00 0.00 H new ATOM 0 HD12 LEU A 22 17.627 17.643 5.837 1.00 0.00 H new ATOM 0 HD13 LEU A 22 17.555 16.446 4.522 1.00 0.00 H new ATOM 0 HD21 LEU A 22 18.459 18.388 2.312 1.00 0.00 H new ATOM 0 HD22 LEU A 22 17.086 17.270 2.135 1.00 0.00 H new ATOM 0 HD23 LEU A 22 16.854 19.015 1.870 1.00 0.00 H new ATOM 309 N VAL A 23 14.706 20.955 5.556 1.00 0.00 N ATOM 310 CA VAL A 23 14.942 22.348 5.889 1.00 0.00 C ATOM 311 C VAL A 23 14.765 22.587 7.387 1.00 0.00 C ATOM 312 O VAL A 23 15.643 23.155 8.036 1.00 0.00 O ATOM 313 CB VAL A 23 13.986 23.276 5.109 1.00 0.00 C ATOM 314 CG1 VAL A 23 14.246 24.738 5.441 1.00 0.00 C ATOM 315 CG2 VAL A 23 14.112 23.033 3.613 1.00 0.00 C ATOM 0 H VAL A 23 13.903 20.803 4.946 1.00 0.00 H new ATOM 0 HA VAL A 23 15.969 22.579 5.607 1.00 0.00 H new ATOM 0 HB VAL A 23 12.966 23.042 5.413 1.00 0.00 H new ATOM 0 HG11 VAL A 23 13.558 25.367 4.877 1.00 0.00 H new ATOM 0 HG12 VAL A 23 14.095 24.901 6.508 1.00 0.00 H new ATOM 0 HG13 VAL A 23 15.272 24.994 5.176 1.00 0.00 H new ATOM 0 HG21 VAL A 23 13.431 23.695 3.078 1.00 0.00 H new ATOM 0 HG22 VAL A 23 15.136 23.233 3.297 1.00 0.00 H new ATOM 0 HG23 VAL A 23 13.859 21.996 3.390 1.00 0.00 H new ATOM 325 N GLN A 24 13.647 22.121 7.940 1.00 0.00 N ATOM 326 CA GLN A 24 13.332 22.383 9.343 1.00 0.00 C ATOM 327 C GLN A 24 14.304 21.650 10.268 1.00 0.00 C ATOM 328 O GLN A 24 14.622 22.127 11.358 1.00 0.00 O ATOM 329 CB GLN A 24 11.888 21.982 9.665 1.00 0.00 C ATOM 330 CG GLN A 24 11.658 20.481 9.740 1.00 0.00 C ATOM 331 CD GLN A 24 10.218 20.116 10.044 1.00 0.00 C ATOM 332 OE1 GLN A 24 9.286 20.944 9.602 1.00 0.00 O flip ATOM 333 NE2 GLN A 24 9.947 19.092 10.670 1.00 0.00 N flip ATOM 0 H GLN A 24 12.950 21.565 7.444 1.00 0.00 H new ATOM 0 HA GLN A 24 13.438 23.455 9.512 1.00 0.00 H new ATOM 0 HB2 GLN A 24 11.603 22.430 10.617 1.00 0.00 H new ATOM 0 HB3 GLN A 24 11.229 22.401 8.905 1.00 0.00 H new ATOM 0 HG2 GLN A 24 11.950 20.027 8.793 1.00 0.00 H new ATOM 0 HG3 GLN A 24 12.304 20.058 10.509 1.00 0.00 H new ATOM 0 HE21 GLN A 24 10.695 18.479 10.994 1.00 0.00 H new ATOM 0 HE22 GLN A 24 8.974 18.856 10.865 1.00 0.00 H new ATOM 342 N CYS A 25 14.781 20.497 9.817 1.00 0.00 N ATOM 343 CA CYS A 25 15.718 19.698 10.590 1.00 0.00 C ATOM 344 C CYS A 25 17.081 20.381 10.651 1.00 0.00 C ATOM 345 O CYS A 25 17.709 20.445 11.708 1.00 0.00 O ATOM 346 CB CYS A 25 15.850 18.304 9.967 1.00 0.00 C ATOM 347 SG CYS A 25 16.967 17.172 10.862 1.00 0.00 S ATOM 0 H CYS A 25 14.531 20.094 8.914 1.00 0.00 H new ATOM 0 HA CYS A 25 15.339 19.599 11.607 1.00 0.00 H new ATOM 0 HB2 CYS A 25 14.861 17.850 9.914 1.00 0.00 H new ATOM 0 HB3 CYS A 25 16.207 18.411 8.943 1.00 0.00 H new ATOM 352 N ALA A 26 17.520 20.914 9.518 1.00 0.00 N ATOM 353 CA ALA A 26 18.825 21.554 9.434 1.00 0.00 C ATOM 354 C ALA A 26 18.804 22.953 10.041 1.00 0.00 C ATOM 355 O ALA A 26 19.813 23.427 10.562 1.00 0.00 O ATOM 356 CB ALA A 26 19.287 21.616 7.989 1.00 0.00 C ATOM 0 H ALA A 26 16.992 20.916 8.646 1.00 0.00 H new ATOM 0 HA ALA A 26 19.528 20.952 10.010 1.00 0.00 H new ATOM 0 HB1 ALA A 26 20.264 22.097 7.940 1.00 0.00 H new ATOM 0 HB2 ALA A 26 19.359 20.606 7.586 1.00 0.00 H new ATOM 0 HB3 ALA A 26 18.570 22.190 7.402 1.00 0.00 H new ATOM 362 N SER A 27 17.648 23.605 9.981 1.00 0.00 N ATOM 363 CA SER A 27 17.497 24.965 10.491 1.00 0.00 C ATOM 364 C SER A 27 17.622 25.004 12.021 1.00 0.00 C ATOM 365 O SER A 27 17.905 26.049 12.607 1.00 0.00 O ATOM 366 CB SER A 27 16.140 25.534 10.049 1.00 0.00 C ATOM 367 OG SER A 27 16.040 26.921 10.317 1.00 0.00 O ATOM 0 H SER A 27 16.796 23.211 9.582 1.00 0.00 H new ATOM 0 HA SER A 27 18.298 25.579 10.079 1.00 0.00 H new ATOM 0 HB2 SER A 27 16.002 25.359 8.982 1.00 0.00 H new ATOM 0 HB3 SER A 27 15.338 25.005 10.565 1.00 0.00 H new ATOM 0 HG SER A 27 16.936 27.319 10.322 1.00 0.00 H new ATOM 373 N ARG A 28 17.422 23.860 12.665 1.00 0.00 N ATOM 374 CA ARG A 28 17.520 23.776 14.119 1.00 0.00 C ATOM 375 C ARG A 28 18.532 22.717 14.527 1.00 0.00 C ATOM 376 O ARG A 28 18.431 22.114 15.593 1.00 0.00 O ATOM 377 CB ARG A 28 16.152 23.467 14.723 1.00 0.00 C ATOM 378 CG ARG A 28 15.127 24.552 14.455 1.00 0.00 C ATOM 379 CD ARG A 28 15.582 25.893 15.013 1.00 0.00 C ATOM 380 NE ARG A 28 14.592 26.946 14.805 1.00 0.00 N ATOM 381 CZ ARG A 28 14.754 27.972 13.969 1.00 0.00 C ATOM 382 NH1 ARG A 28 15.832 28.052 13.195 1.00 0.00 N ATOM 383 NH2 ARG A 28 13.822 28.914 13.896 1.00 0.00 N ATOM 0 H ARG A 28 17.191 22.979 12.205 1.00 0.00 H new ATOM 0 HA ARG A 28 17.861 24.739 14.499 1.00 0.00 H new ATOM 0 HB2 ARG A 28 15.787 22.523 14.319 1.00 0.00 H new ATOM 0 HB3 ARG A 28 16.258 23.333 15.800 1.00 0.00 H new ATOM 0 HG2 ARG A 28 14.960 24.640 13.381 1.00 0.00 H new ATOM 0 HG3 ARG A 28 14.174 24.273 14.904 1.00 0.00 H new ATOM 0 HD2 ARG A 28 15.782 25.791 16.080 1.00 0.00 H new ATOM 0 HD3 ARG A 28 16.520 26.181 14.539 1.00 0.00 H new ATOM 0 HE ARG A 28 13.721 26.893 15.333 1.00 0.00 H new ATOM 0 HH11 ARG A 28 16.545 27.324 13.237 1.00 0.00 H new ATOM 0 HH12 ARG A 28 15.946 28.841 12.559 1.00 0.00 H new ATOM 0 HH21 ARG A 28 12.987 28.851 14.478 1.00 0.00 H new ATOM 0 HH22 ARG A 28 13.941 29.701 13.258 1.00 0.00 H new ATOM 397 N SER A 29 19.511 22.509 13.665 1.00 0.00 N ATOM 398 CA SER A 29 20.576 21.551 13.924 1.00 0.00 C ATOM 399 C SER A 29 21.556 22.090 14.961 1.00 0.00 C ATOM 400 O SER A 29 22.052 21.353 15.812 1.00 0.00 O ATOM 401 CB SER A 29 21.322 21.249 12.626 1.00 0.00 C ATOM 402 OG SER A 29 21.822 22.445 12.040 1.00 0.00 O ATOM 0 H SER A 29 19.592 22.994 12.772 1.00 0.00 H new ATOM 0 HA SER A 29 20.128 20.637 14.315 1.00 0.00 H new ATOM 0 HB2 SER A 29 22.146 20.565 12.826 1.00 0.00 H new ATOM 0 HB3 SER A 29 20.654 20.747 11.926 1.00 0.00 H new ATOM 0 HG SER A 29 21.169 22.792 11.397 1.00 0.00 H new ATOM 408 N GLY A 30 21.825 23.386 14.881 1.00 0.00 N ATOM 409 CA GLY A 30 22.833 23.993 15.727 1.00 0.00 C ATOM 410 C GLY A 30 24.193 23.948 15.069 1.00 0.00 C ATOM 411 O GLY A 30 25.210 24.260 15.686 1.00 0.00 O ATOM 0 H GLY A 30 21.360 24.031 14.242 1.00 0.00 H new ATOM 0 HA2 GLY A 30 22.561 25.027 15.937 1.00 0.00 H new ATOM 0 HA3 GLY A 30 22.871 23.472 16.684 1.00 0.00 H new ATOM 415 N VAL A 31 24.205 23.542 13.808 1.00 0.00 N ATOM 416 CA VAL A 31 25.433 23.447 13.039 1.00 0.00 C ATOM 417 C VAL A 31 25.453 24.498 11.936 1.00 0.00 C ATOM 418 O VAL A 31 26.423 25.240 11.787 1.00 0.00 O ATOM 419 CB VAL A 31 25.589 22.046 12.412 1.00 0.00 C ATOM 420 CG1 VAL A 31 26.901 21.937 11.655 1.00 0.00 C ATOM 421 CG2 VAL A 31 25.495 20.964 13.478 1.00 0.00 C ATOM 0 H VAL A 31 23.367 23.271 13.293 1.00 0.00 H new ATOM 0 HA VAL A 31 26.265 23.621 13.722 1.00 0.00 H new ATOM 0 HB VAL A 31 24.773 21.900 11.704 1.00 0.00 H new ATOM 0 HG11 VAL A 31 26.989 20.941 11.222 1.00 0.00 H new ATOM 0 HG12 VAL A 31 26.925 22.682 10.860 1.00 0.00 H new ATOM 0 HG13 VAL A 31 27.731 22.110 12.340 1.00 0.00 H new ATOM 0 HG21 VAL A 31 25.608 19.985 13.013 1.00 0.00 H new ATOM 0 HG22 VAL A 31 26.285 21.109 14.215 1.00 0.00 H new ATOM 0 HG23 VAL A 31 24.525 21.022 13.971 1.00 0.00 H new ATOM 431 N LEU A 32 24.363 24.565 11.178 1.00 0.00 N ATOM 432 CA LEU A 32 24.256 25.494 10.056 1.00 0.00 C ATOM 433 C LEU A 32 24.116 26.931 10.542 1.00 0.00 C ATOM 434 O LEU A 32 23.490 27.191 11.573 1.00 0.00 O ATOM 435 CB LEU A 32 23.061 25.138 9.158 1.00 0.00 C ATOM 436 CG LEU A 32 23.251 23.930 8.232 1.00 0.00 C ATOM 437 CD1 LEU A 32 23.316 22.630 9.019 1.00 0.00 C ATOM 438 CD2 LEU A 32 22.134 23.882 7.201 1.00 0.00 C ATOM 0 H LEU A 32 23.537 23.984 11.321 1.00 0.00 H new ATOM 0 HA LEU A 32 25.175 25.407 9.476 1.00 0.00 H new ATOM 0 HB2 LEU A 32 22.197 24.950 9.795 1.00 0.00 H new ATOM 0 HB3 LEU A 32 22.822 26.007 8.545 1.00 0.00 H new ATOM 0 HG LEU A 32 24.203 24.045 7.714 1.00 0.00 H new ATOM 0 HD11 LEU A 32 23.451 21.795 8.332 1.00 0.00 H new ATOM 0 HD12 LEU A 32 24.155 22.667 9.714 1.00 0.00 H new ATOM 0 HD13 LEU A 32 22.389 22.495 9.576 1.00 0.00 H new ATOM 0 HD21 LEU A 32 22.278 23.021 6.548 1.00 0.00 H new ATOM 0 HD22 LEU A 32 21.173 23.796 7.709 1.00 0.00 H new ATOM 0 HD23 LEU A 32 22.149 24.795 6.606 1.00 0.00 H new ATOM 450 N THR A 33 24.697 27.858 9.791 1.00 0.00 N ATOM 451 CA THR A 33 24.619 29.272 10.126 1.00 0.00 C ATOM 452 C THR A 33 23.274 29.846 9.698 1.00 0.00 C ATOM 453 O THR A 33 22.499 29.176 9.011 1.00 0.00 O ATOM 454 CB THR A 33 25.751 30.071 9.446 1.00 0.00 C ATOM 455 OG1 THR A 33 25.625 30.000 8.018 1.00 0.00 O ATOM 456 CG2 THR A 33 27.112 29.541 9.858 1.00 0.00 C ATOM 0 H THR A 33 25.228 27.654 8.944 1.00 0.00 H new ATOM 0 HA THR A 33 24.728 29.360 11.207 1.00 0.00 H new ATOM 0 HB THR A 33 25.665 31.109 9.766 1.00 0.00 H new ATOM 0 HG1 THR A 33 26.348 30.512 7.600 1.00 0.00 H new ATOM 0 HG21 THR A 33 27.893 30.121 9.365 1.00 0.00 H new ATOM 0 HG22 THR A 33 27.224 29.627 10.939 1.00 0.00 H new ATOM 0 HG23 THR A 33 27.198 28.494 9.566 1.00 0.00 H new ATOM 464 N ALA A 34 23.003 31.087 10.088 1.00 0.00 N ATOM 465 CA ALA A 34 21.751 31.742 9.733 1.00 0.00 C ATOM 466 C ALA A 34 21.676 31.970 8.230 1.00 0.00 C ATOM 467 O ALA A 34 20.588 32.052 7.655 1.00 0.00 O ATOM 468 CB ALA A 34 21.603 33.057 10.482 1.00 0.00 C ATOM 0 H ALA A 34 23.634 31.659 10.650 1.00 0.00 H new ATOM 0 HA ALA A 34 20.928 31.089 10.023 1.00 0.00 H new ATOM 0 HB1 ALA A 34 20.662 33.531 10.203 1.00 0.00 H new ATOM 0 HB2 ALA A 34 21.610 32.867 11.555 1.00 0.00 H new ATOM 0 HB3 ALA A 34 22.431 33.717 10.225 1.00 0.00 H new ATOM 474 N ASP A 35 22.840 32.064 7.595 1.00 0.00 N ATOM 475 CA ASP A 35 22.915 32.204 6.145 1.00 0.00 C ATOM 476 C ASP A 35 22.729 30.846 5.487 1.00 0.00 C ATOM 477 O ASP A 35 21.889 30.674 4.607 1.00 0.00 O ATOM 478 CB ASP A 35 24.266 32.794 5.717 1.00 0.00 C ATOM 479 CG ASP A 35 24.453 34.231 6.152 1.00 0.00 C ATOM 480 OD1 ASP A 35 24.012 35.143 5.418 1.00 0.00 O ATOM 481 OD2 ASP A 35 25.058 34.459 7.222 1.00 0.00 O ATOM 0 H ASP A 35 23.746 32.046 8.063 1.00 0.00 H new ATOM 0 HA ASP A 35 22.123 32.882 5.828 1.00 0.00 H new ATOM 0 HB2 ASP A 35 25.069 32.187 6.135 1.00 0.00 H new ATOM 0 HB3 ASP A 35 24.354 32.735 4.632 1.00 0.00 H new ATOM 486 N GLN A 36 23.501 29.878 5.961 1.00 0.00 N ATOM 487 CA GLN A 36 23.514 28.536 5.398 1.00 0.00 C ATOM 488 C GLN A 36 22.138 27.875 5.492 1.00 0.00 C ATOM 489 O GLN A 36 21.712 27.173 4.575 1.00 0.00 O ATOM 490 CB GLN A 36 24.560 27.700 6.136 1.00 0.00 C ATOM 491 CG GLN A 36 24.766 26.307 5.575 1.00 0.00 C ATOM 492 CD GLN A 36 25.848 25.551 6.316 1.00 0.00 C ATOM 493 OE1 GLN A 36 26.070 25.771 7.507 1.00 0.00 O ATOM 494 NE2 GLN A 36 26.531 24.666 5.616 1.00 0.00 N ATOM 0 H GLN A 36 24.137 30.002 6.749 1.00 0.00 H new ATOM 0 HA GLN A 36 23.769 28.601 4.340 1.00 0.00 H new ATOM 0 HB2 GLN A 36 25.512 28.231 6.113 1.00 0.00 H new ATOM 0 HB3 GLN A 36 24.266 27.616 7.182 1.00 0.00 H new ATOM 0 HG2 GLN A 36 23.830 25.751 5.633 1.00 0.00 H new ATOM 0 HG3 GLN A 36 25.030 26.377 4.520 1.00 0.00 H new ATOM 0 HE21 GLN A 36 26.313 24.516 4.631 1.00 0.00 H new ATOM 0 HE22 GLN A 36 27.278 24.131 6.060 1.00 0.00 H new ATOM 503 N MET A 37 21.437 28.117 6.592 1.00 0.00 N ATOM 504 CA MET A 37 20.116 27.527 6.795 1.00 0.00 C ATOM 505 C MET A 37 19.063 28.210 5.931 1.00 0.00 C ATOM 506 O MET A 37 17.981 27.664 5.717 1.00 0.00 O ATOM 507 CB MET A 37 19.697 27.610 8.264 1.00 0.00 C ATOM 508 CG MET A 37 19.426 29.028 8.745 1.00 0.00 C ATOM 509 SD MET A 37 18.835 29.092 10.449 1.00 0.00 S ATOM 510 CE MET A 37 20.194 28.316 11.322 1.00 0.00 C ATOM 0 H MET A 37 21.757 28.714 7.355 1.00 0.00 H new ATOM 0 HA MET A 37 20.186 26.480 6.501 1.00 0.00 H new ATOM 0 HB2 MET A 37 18.800 27.009 8.411 1.00 0.00 H new ATOM 0 HB3 MET A 37 20.480 27.170 8.881 1.00 0.00 H new ATOM 0 HG2 MET A 37 20.340 29.616 8.661 1.00 0.00 H new ATOM 0 HG3 MET A 37 18.687 29.493 8.092 1.00 0.00 H new ATOM 0 HE1 MET A 37 20.020 28.380 12.396 1.00 0.00 H new ATOM 0 HE2 MET A 37 20.265 27.269 11.028 1.00 0.00 H new ATOM 0 HE3 MET A 37 21.125 28.827 11.074 1.00 0.00 H new ATOM 520 N ASP A 38 19.372 29.402 5.437 1.00 0.00 N ATOM 521 CA ASP A 38 18.414 30.159 4.639 1.00 0.00 C ATOM 522 C ASP A 38 18.384 29.632 3.212 1.00 0.00 C ATOM 523 O ASP A 38 17.333 29.603 2.568 1.00 0.00 O ATOM 524 CB ASP A 38 18.748 31.653 4.650 1.00 0.00 C ATOM 525 CG ASP A 38 17.657 32.488 4.013 1.00 0.00 C ATOM 526 OD1 ASP A 38 16.617 32.716 4.673 1.00 0.00 O ATOM 527 OD2 ASP A 38 17.823 32.914 2.855 1.00 0.00 O ATOM 0 H ASP A 38 20.271 29.864 5.573 1.00 0.00 H new ATOM 0 HA ASP A 38 17.426 30.031 5.082 1.00 0.00 H new ATOM 0 HB2 ASP A 38 18.901 31.982 5.678 1.00 0.00 H new ATOM 0 HB3 ASP A 38 19.686 31.818 4.119 1.00 0.00 H new ATOM 532 N ASP A 39 19.540 29.178 2.732 1.00 0.00 N ATOM 533 CA ASP A 39 19.626 28.574 1.404 1.00 0.00 C ATOM 534 C ASP A 39 18.736 27.339 1.330 1.00 0.00 C ATOM 535 O ASP A 39 18.175 27.023 0.281 1.00 0.00 O ATOM 536 CB ASP A 39 21.062 28.185 1.053 1.00 0.00 C ATOM 537 CG ASP A 39 21.932 29.367 0.687 1.00 0.00 C ATOM 538 OD1 ASP A 39 21.794 29.892 -0.439 1.00 0.00 O ATOM 539 OD2 ASP A 39 22.790 29.749 1.504 1.00 0.00 O ATOM 0 H ASP A 39 20.424 29.216 3.239 1.00 0.00 H new ATOM 0 HA ASP A 39 19.287 29.318 0.684 1.00 0.00 H new ATOM 0 HB2 ASP A 39 21.507 27.664 1.901 1.00 0.00 H new ATOM 0 HB3 ASP A 39 21.047 27.482 0.220 1.00 0.00 H new ATOM 544 N MET A 40 18.608 26.659 2.466 1.00 0.00 N ATOM 545 CA MET A 40 17.762 25.475 2.578 1.00 0.00 C ATOM 546 C MET A 40 16.332 25.794 2.157 1.00 0.00 C ATOM 547 O MET A 40 15.709 25.048 1.401 1.00 0.00 O ATOM 548 CB MET A 40 17.762 24.960 4.024 1.00 0.00 C ATOM 549 CG MET A 40 19.131 24.550 4.544 1.00 0.00 C ATOM 550 SD MET A 40 19.761 23.055 3.760 1.00 0.00 S ATOM 551 CE MET A 40 18.569 21.838 4.312 1.00 0.00 C ATOM 0 H MET A 40 19.086 26.912 3.331 1.00 0.00 H new ATOM 0 HA MET A 40 18.164 24.707 1.917 1.00 0.00 H new ATOM 0 HB2 MET A 40 17.358 25.736 4.673 1.00 0.00 H new ATOM 0 HB3 MET A 40 17.090 24.105 4.092 1.00 0.00 H new ATOM 0 HG2 MET A 40 19.836 25.365 4.379 1.00 0.00 H new ATOM 0 HG3 MET A 40 19.073 24.392 5.621 1.00 0.00 H new ATOM 0 HE1 MET A 40 19.038 20.854 4.337 1.00 0.00 H new ATOM 0 HE2 MET A 40 18.219 22.099 5.311 1.00 0.00 H new ATOM 0 HE3 MET A 40 17.723 21.819 3.625 1.00 0.00 H new ATOM 561 N GLY A 41 15.825 26.922 2.638 1.00 0.00 N ATOM 562 CA GLY A 41 14.456 27.299 2.359 1.00 0.00 C ATOM 563 C GLY A 41 14.243 27.703 0.912 1.00 0.00 C ATOM 564 O GLY A 41 13.281 27.269 0.275 1.00 0.00 O ATOM 0 H GLY A 41 16.341 27.584 3.218 1.00 0.00 H new ATOM 0 HA2 GLY A 41 13.797 26.464 2.600 1.00 0.00 H new ATOM 0 HA3 GLY A 41 14.172 28.127 3.009 1.00 0.00 H new ATOM 568 N MET A 42 15.155 28.510 0.379 1.00 0.00 N ATOM 569 CA MET A 42 15.009 29.020 -0.980 1.00 0.00 C ATOM 570 C MET A 42 15.125 27.904 -2.015 1.00 0.00 C ATOM 571 O MET A 42 14.476 27.953 -3.060 1.00 0.00 O ATOM 572 CB MET A 42 16.035 30.118 -1.268 1.00 0.00 C ATOM 573 CG MET A 42 17.465 29.617 -1.345 1.00 0.00 C ATOM 574 SD MET A 42 18.659 30.928 -1.678 1.00 0.00 S ATOM 575 CE MET A 42 18.453 31.950 -0.220 1.00 0.00 C ATOM 0 H MET A 42 15.997 28.823 0.863 1.00 0.00 H new ATOM 0 HA MET A 42 14.010 29.449 -1.057 1.00 0.00 H new ATOM 0 HB2 MET A 42 15.779 30.603 -2.210 1.00 0.00 H new ATOM 0 HB3 MET A 42 15.968 30.878 -0.489 1.00 0.00 H new ATOM 0 HG2 MET A 42 17.723 29.129 -0.405 1.00 0.00 H new ATOM 0 HG3 MET A 42 17.537 28.861 -2.127 1.00 0.00 H new ATOM 0 HE1 MET A 42 19.408 32.406 0.042 1.00 0.00 H new ATOM 0 HE2 MET A 42 17.721 32.732 -0.424 1.00 0.00 H new ATOM 0 HE3 MET A 42 18.105 31.335 0.610 1.00 0.00 H new ATOM 585 N MET A 43 15.934 26.884 -1.726 1.00 0.00 N ATOM 586 CA MET A 43 16.112 25.797 -2.668 1.00 0.00 C ATOM 587 C MET A 43 14.871 24.910 -2.650 1.00 0.00 C ATOM 588 O MET A 43 14.471 24.373 -3.678 1.00 0.00 O ATOM 589 CB MET A 43 17.370 24.988 -2.332 1.00 0.00 C ATOM 590 CG MET A 43 17.087 23.788 -1.456 1.00 0.00 C ATOM 591 SD MET A 43 18.498 23.245 -0.495 1.00 0.00 S ATOM 592 CE MET A 43 17.606 22.388 0.789 1.00 0.00 C ATOM 0 H MET A 43 16.465 26.794 -0.860 1.00 0.00 H new ATOM 0 HA MET A 43 16.244 26.206 -3.670 1.00 0.00 H new ATOM 0 HB2 MET A 43 17.837 24.652 -3.258 1.00 0.00 H new ATOM 0 HB3 MET A 43 18.088 25.636 -1.829 1.00 0.00 H new ATOM 0 HG2 MET A 43 16.269 24.030 -0.778 1.00 0.00 H new ATOM 0 HG3 MET A 43 16.748 22.964 -2.083 1.00 0.00 H new ATOM 0 HE1 MET A 43 18.312 21.878 1.444 1.00 0.00 H new ATOM 0 HE2 MET A 43 17.025 23.105 1.369 1.00 0.00 H new ATOM 0 HE3 MET A 43 16.935 21.656 0.339 1.00 0.00 H new ATOM 602 N ALA A 44 14.249 24.790 -1.474 1.00 0.00 N ATOM 603 CA ALA A 44 13.034 23.997 -1.323 1.00 0.00 C ATOM 604 C ALA A 44 11.927 24.528 -2.224 1.00 0.00 C ATOM 605 O ALA A 44 11.207 23.750 -2.857 1.00 0.00 O ATOM 606 CB ALA A 44 12.581 23.988 0.128 1.00 0.00 C ATOM 0 H ALA A 44 14.570 25.234 -0.614 1.00 0.00 H new ATOM 0 HA ALA A 44 13.256 22.973 -1.623 1.00 0.00 H new ATOM 0 HB1 ALA A 44 11.673 23.392 0.222 1.00 0.00 H new ATOM 0 HB2 ALA A 44 13.365 23.557 0.751 1.00 0.00 H new ATOM 0 HB3 ALA A 44 12.380 25.009 0.453 1.00 0.00 H new ATOM 612 N ASP A 45 11.806 25.855 -2.292 1.00 0.00 N ATOM 613 CA ASP A 45 10.826 26.493 -3.171 1.00 0.00 C ATOM 614 C ASP A 45 11.095 26.120 -4.622 1.00 0.00 C ATOM 615 O ASP A 45 10.182 25.764 -5.369 1.00 0.00 O ATOM 616 CB ASP A 45 10.857 28.014 -3.013 1.00 0.00 C ATOM 617 CG ASP A 45 9.889 28.710 -3.950 1.00 0.00 C ATOM 618 OD1 ASP A 45 8.670 28.702 -3.668 1.00 0.00 O ATOM 619 OD2 ASP A 45 10.339 29.266 -4.976 1.00 0.00 O ATOM 0 H ASP A 45 12.373 26.507 -1.750 1.00 0.00 H new ATOM 0 HA ASP A 45 9.836 26.135 -2.887 1.00 0.00 H new ATOM 0 HB2 ASP A 45 10.613 28.275 -1.983 1.00 0.00 H new ATOM 0 HB3 ASP A 45 11.867 28.376 -3.203 1.00 0.00 H new ATOM 624 N SER A 46 12.363 26.177 -5.001 1.00 0.00 N ATOM 625 CA SER A 46 12.787 25.807 -6.341 1.00 0.00 C ATOM 626 C SER A 46 12.416 24.351 -6.630 1.00 0.00 C ATOM 627 O SER A 46 11.968 24.018 -7.729 1.00 0.00 O ATOM 628 CB SER A 46 14.299 26.019 -6.472 1.00 0.00 C ATOM 629 OG SER A 46 14.754 25.796 -7.796 1.00 0.00 O ATOM 0 H SER A 46 13.123 26.479 -4.391 1.00 0.00 H new ATOM 0 HA SER A 46 12.277 26.436 -7.071 1.00 0.00 H new ATOM 0 HB2 SER A 46 14.550 27.035 -6.169 1.00 0.00 H new ATOM 0 HB3 SER A 46 14.820 25.345 -5.791 1.00 0.00 H new ATOM 0 HG SER A 46 15.567 25.249 -7.775 1.00 0.00 H new ATOM 635 N VAL A 47 12.579 23.494 -5.626 1.00 0.00 N ATOM 636 CA VAL A 47 12.277 22.074 -5.765 1.00 0.00 C ATOM 637 C VAL A 47 10.809 21.839 -6.114 1.00 0.00 C ATOM 638 O VAL A 47 10.512 21.164 -7.100 1.00 0.00 O ATOM 639 CB VAL A 47 12.633 21.279 -4.489 1.00 0.00 C ATOM 640 CG1 VAL A 47 12.219 19.818 -4.624 1.00 0.00 C ATOM 641 CG2 VAL A 47 14.122 21.377 -4.200 1.00 0.00 C ATOM 0 H VAL A 47 12.921 23.761 -4.703 1.00 0.00 H new ATOM 0 HA VAL A 47 12.897 21.713 -6.585 1.00 0.00 H new ATOM 0 HB VAL A 47 12.083 21.716 -3.655 1.00 0.00 H new ATOM 0 HG11 VAL A 47 12.481 19.280 -3.713 1.00 0.00 H new ATOM 0 HG12 VAL A 47 11.143 19.758 -4.784 1.00 0.00 H new ATOM 0 HG13 VAL A 47 12.738 19.370 -5.471 1.00 0.00 H new ATOM 0 HG21 VAL A 47 14.356 20.811 -3.298 1.00 0.00 H new ATOM 0 HG22 VAL A 47 14.683 20.968 -5.040 1.00 0.00 H new ATOM 0 HG23 VAL A 47 14.396 22.422 -4.054 1.00 0.00 H new ATOM 651 N ASN A 48 9.884 22.395 -5.331 1.00 0.00 N ATOM 652 CA ASN A 48 8.470 22.153 -5.584 1.00 0.00 C ATOM 653 C ASN A 48 8.014 22.822 -6.872 1.00 0.00 C ATOM 654 O ASN A 48 7.094 22.342 -7.521 1.00 0.00 O ATOM 655 CB ASN A 48 7.568 22.577 -4.419 1.00 0.00 C ATOM 656 CG ASN A 48 7.712 24.023 -3.998 1.00 0.00 C ATOM 657 OD1 ASN A 48 8.338 24.238 -2.853 1.00 0.00 O flip ATOM 658 ND2 ASN A 48 7.210 24.929 -4.661 1.00 0.00 N flip ATOM 0 H ASN A 48 10.084 23.001 -4.536 1.00 0.00 H new ATOM 0 HA ASN A 48 8.369 21.073 -5.690 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.530 22.396 -4.697 1.00 0.00 H new ATOM 0 HB3 ASN A 48 7.783 21.940 -3.561 1.00 0.00 H new ATOM 0 HD21 ASN A 48 6.736 24.716 -5.539 1.00 0.00 H new ATOM 0 HD22 ASN A 48 7.267 25.893 -4.333 1.00 0.00 H new ATOM 665 N SER A 49 8.666 23.912 -7.252 1.00 0.00 N ATOM 666 CA SER A 49 8.366 24.562 -8.522 1.00 0.00 C ATOM 667 C SER A 49 8.646 23.596 -9.677 1.00 0.00 C ATOM 668 O SER A 49 7.891 23.523 -10.648 1.00 0.00 O ATOM 669 CB SER A 49 9.194 25.844 -8.672 1.00 0.00 C ATOM 670 OG SER A 49 8.819 26.572 -9.830 1.00 0.00 O ATOM 0 H SER A 49 9.400 24.362 -6.705 1.00 0.00 H new ATOM 0 HA SER A 49 7.311 24.835 -8.544 1.00 0.00 H new ATOM 0 HB2 SER A 49 9.062 26.469 -7.789 1.00 0.00 H new ATOM 0 HB3 SER A 49 10.253 25.590 -8.727 1.00 0.00 H new ATOM 0 HG SER A 49 9.364 27.384 -9.897 1.00 0.00 H new ATOM 676 N GLN A 50 9.716 22.823 -9.536 1.00 0.00 N ATOM 677 CA GLN A 50 10.103 21.847 -10.546 1.00 0.00 C ATOM 678 C GLN A 50 9.308 20.550 -10.384 1.00 0.00 C ATOM 679 O GLN A 50 9.147 19.787 -11.330 1.00 0.00 O ATOM 680 CB GLN A 50 11.600 21.558 -10.442 1.00 0.00 C ATOM 681 CG GLN A 50 12.477 22.776 -10.680 1.00 0.00 C ATOM 682 CD GLN A 50 13.918 22.544 -10.272 1.00 0.00 C ATOM 683 OE1 GLN A 50 14.746 22.113 -11.075 1.00 0.00 O ATOM 684 NE2 GLN A 50 14.222 22.829 -9.018 1.00 0.00 N ATOM 0 H GLN A 50 10.335 22.854 -8.726 1.00 0.00 H new ATOM 0 HA GLN A 50 9.883 22.263 -11.529 1.00 0.00 H new ATOM 0 HB2 GLN A 50 11.815 21.155 -9.452 1.00 0.00 H new ATOM 0 HB3 GLN A 50 11.863 20.786 -11.165 1.00 0.00 H new ATOM 0 HG2 GLN A 50 12.441 23.045 -11.736 1.00 0.00 H new ATOM 0 HG3 GLN A 50 12.077 23.622 -10.122 1.00 0.00 H new ATOM 0 HE21 GLN A 50 13.503 23.184 -8.387 1.00 0.00 H new ATOM 0 HE22 GLN A 50 15.175 22.694 -8.681 1.00 0.00 H new ATOM 693 N MET A 51 8.815 20.307 -9.179 1.00 0.00 N ATOM 694 CA MET A 51 8.054 19.096 -8.894 1.00 0.00 C ATOM 695 C MET A 51 6.602 19.234 -9.351 1.00 0.00 C ATOM 696 O MET A 51 5.969 18.256 -9.749 1.00 0.00 O ATOM 697 CB MET A 51 8.129 18.773 -7.398 1.00 0.00 C ATOM 698 CG MET A 51 7.335 17.543 -6.982 1.00 0.00 C ATOM 699 SD MET A 51 5.761 17.955 -6.204 1.00 0.00 S ATOM 700 CE MET A 51 6.329 18.733 -4.691 1.00 0.00 C ATOM 0 H MET A 51 8.927 20.932 -8.381 1.00 0.00 H new ATOM 0 HA MET A 51 8.495 18.271 -9.454 1.00 0.00 H new ATOM 0 HB2 MET A 51 9.173 18.627 -7.122 1.00 0.00 H new ATOM 0 HB3 MET A 51 7.767 19.633 -6.834 1.00 0.00 H new ATOM 0 HG2 MET A 51 7.150 16.922 -7.859 1.00 0.00 H new ATOM 0 HG3 MET A 51 7.932 16.948 -6.291 1.00 0.00 H new ATOM 0 HE1 MET A 51 5.701 19.596 -4.468 1.00 0.00 H new ATOM 0 HE2 MET A 51 6.269 18.019 -3.870 1.00 0.00 H new ATOM 0 HE3 MET A 51 7.362 19.058 -4.815 1.00 0.00 H new ATOM 710 N GLN A 52 6.085 20.452 -9.327 1.00 0.00 N ATOM 711 CA GLN A 52 4.708 20.699 -9.737 1.00 0.00 C ATOM 712 C GLN A 52 4.560 20.635 -11.254 1.00 0.00 C ATOM 713 O GLN A 52 3.458 20.441 -11.763 1.00 0.00 O ATOM 714 CB GLN A 52 4.216 22.044 -9.205 1.00 0.00 C ATOM 715 CG GLN A 52 4.063 22.067 -7.695 1.00 0.00 C ATOM 716 CD GLN A 52 3.594 23.408 -7.178 1.00 0.00 C ATOM 717 OE1 GLN A 52 2.396 23.651 -7.043 1.00 0.00 O ATOM 718 NE2 GLN A 52 4.537 24.286 -6.884 1.00 0.00 N ATOM 0 H GLN A 52 6.594 21.284 -9.029 1.00 0.00 H new ATOM 0 HA GLN A 52 4.089 19.911 -9.307 1.00 0.00 H new ATOM 0 HB2 GLN A 52 4.915 22.824 -9.505 1.00 0.00 H new ATOM 0 HB3 GLN A 52 3.257 22.281 -9.665 1.00 0.00 H new ATOM 0 HG2 GLN A 52 3.353 21.297 -7.394 1.00 0.00 H new ATOM 0 HG3 GLN A 52 5.018 21.818 -7.233 1.00 0.00 H new ATOM 0 HE21 GLN A 52 5.519 24.042 -7.012 1.00 0.00 H new ATOM 0 HE22 GLN A 52 4.283 25.208 -6.529 1.00 0.00 H new ATOM 727 N LYS A 53 5.667 20.797 -11.976 1.00 0.00 N ATOM 728 CA LYS A 53 5.647 20.638 -13.423 1.00 0.00 C ATOM 729 C LYS A 53 5.910 19.182 -13.796 1.00 0.00 C ATOM 730 O LYS A 53 5.775 18.786 -14.954 1.00 0.00 O ATOM 731 CB LYS A 53 6.643 21.583 -14.095 1.00 0.00 C ATOM 732 CG LYS A 53 8.092 21.359 -13.721 1.00 0.00 C ATOM 733 CD LYS A 53 8.765 20.331 -14.621 1.00 0.00 C ATOM 734 CE LYS A 53 10.241 20.165 -14.285 1.00 0.00 C ATOM 735 NZ LYS A 53 11.029 21.401 -14.552 1.00 0.00 N ATOM 0 H LYS A 53 6.578 21.036 -11.585 1.00 0.00 H new ATOM 0 HA LYS A 53 4.656 20.906 -13.790 1.00 0.00 H new ATOM 0 HB2 LYS A 53 6.543 21.483 -15.176 1.00 0.00 H new ATOM 0 HB3 LYS A 53 6.373 22.609 -13.844 1.00 0.00 H new ATOM 0 HG2 LYS A 53 8.632 22.304 -13.784 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.151 21.026 -12.685 1.00 0.00 H new ATOM 0 HD2 LYS A 53 8.259 19.371 -14.518 1.00 0.00 H new ATOM 0 HD3 LYS A 53 8.661 20.636 -15.662 1.00 0.00 H new ATOM 0 HE2 LYS A 53 10.343 19.893 -13.234 1.00 0.00 H new ATOM 0 HE3 LYS A 53 10.653 19.342 -14.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 12.045 21.182 -14.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 10.797 21.763 -15.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 10.796 22.122 -13.839 1.00 0.00 H new ATOM 749 N MET A 54 6.286 18.392 -12.794 1.00 0.00 N ATOM 750 CA MET A 54 6.485 16.961 -12.969 1.00 0.00 C ATOM 751 C MET A 54 5.131 16.282 -13.139 1.00 0.00 C ATOM 752 O MET A 54 4.918 15.511 -14.075 1.00 0.00 O ATOM 753 CB MET A 54 7.212 16.372 -11.755 1.00 0.00 C ATOM 754 CG MET A 54 7.517 14.889 -11.878 1.00 0.00 C ATOM 755 SD MET A 54 7.828 14.099 -10.284 1.00 0.00 S ATOM 756 CE MET A 54 9.237 15.024 -9.685 1.00 0.00 C ATOM 0 H MET A 54 6.460 18.725 -11.846 1.00 0.00 H new ATOM 0 HA MET A 54 7.095 16.791 -13.856 1.00 0.00 H new ATOM 0 HB2 MET A 54 8.146 16.914 -11.606 1.00 0.00 H new ATOM 0 HB3 MET A 54 6.603 16.535 -10.866 1.00 0.00 H new ATOM 0 HG2 MET A 54 6.680 14.391 -12.367 1.00 0.00 H new ATOM 0 HG3 MET A 54 8.387 14.755 -12.520 1.00 0.00 H new ATOM 0 HE1 MET A 54 9.061 15.328 -8.653 1.00 0.00 H new ATOM 0 HE2 MET A 54 10.129 14.399 -9.732 1.00 0.00 H new ATOM 0 HE3 MET A 54 9.381 15.909 -10.304 1.00 0.00 H new ATOM 766 N GLY A 55 4.218 16.596 -12.225 1.00 0.00 N ATOM 767 CA GLY A 55 2.875 16.061 -12.294 1.00 0.00 C ATOM 768 C GLY A 55 2.652 14.935 -11.302 1.00 0.00 C ATOM 769 O GLY A 55 3.485 14.038 -11.197 1.00 0.00 O ATOM 0 H GLY A 55 4.389 17.216 -11.433 1.00 0.00 H new ATOM 0 HA2 GLY A 55 2.158 16.859 -12.101 1.00 0.00 H new ATOM 0 HA3 GLY A 55 2.683 15.697 -13.303 1.00 0.00 H new ATOM 773 N PRO A 56 1.541 14.970 -10.539 1.00 0.00 N ATOM 774 CA PRO A 56 1.183 13.889 -9.613 1.00 0.00 C ATOM 775 C PRO A 56 1.067 12.551 -10.329 1.00 0.00 C ATOM 776 O PRO A 56 0.428 12.460 -11.382 1.00 0.00 O ATOM 777 CB PRO A 56 -0.177 14.317 -9.057 1.00 0.00 C ATOM 778 CG PRO A 56 -0.211 15.792 -9.244 1.00 0.00 C ATOM 779 CD PRO A 56 0.556 16.064 -10.508 1.00 0.00 C ATOM 0 HA PRO A 56 1.938 13.745 -8.840 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -0.994 13.831 -9.590 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -0.278 14.048 -8.005 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -1.237 16.152 -9.324 1.00 0.00 H new ATOM 0 HG3 PRO A 56 0.241 16.304 -8.395 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -0.092 16.049 -11.384 1.00 0.00 H new ATOM 0 HD3 PRO A 56 1.039 17.041 -10.485 1.00 0.00 H new ATOM 787 N ASN A 57 1.672 11.525 -9.734 1.00 0.00 N ATOM 788 CA ASN A 57 1.764 10.202 -10.351 1.00 0.00 C ATOM 789 C ASN A 57 2.518 10.312 -11.674 1.00 0.00 C ATOM 790 O ASN A 57 1.936 10.172 -12.753 1.00 0.00 O ATOM 791 CB ASN A 57 0.376 9.589 -10.578 1.00 0.00 C ATOM 792 CG ASN A 57 -0.426 9.439 -9.298 1.00 0.00 C ATOM 793 OD1 ASN A 57 -0.310 8.443 -8.584 1.00 0.00 O ATOM 794 ND2 ASN A 57 -1.265 10.425 -9.011 1.00 0.00 N ATOM 0 H ASN A 57 2.111 11.586 -8.815 1.00 0.00 H new ATOM 0 HA ASN A 57 2.306 9.542 -9.673 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -0.180 10.213 -11.277 1.00 0.00 H new ATOM 0 HB3 ASN A 57 0.490 8.611 -11.045 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -1.844 10.374 -8.173 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -1.332 11.234 -9.629 1.00 0.00 H new ATOM 801 N PRO A 58 3.825 10.592 -11.600 1.00 0.00 N ATOM 802 CA PRO A 58 4.629 10.931 -12.770 1.00 0.00 C ATOM 803 C PRO A 58 5.159 9.716 -13.529 1.00 0.00 C ATOM 804 O PRO A 58 5.284 8.618 -12.975 1.00 0.00 O ATOM 805 CB PRO A 58 5.783 11.715 -12.155 1.00 0.00 C ATOM 806 CG PRO A 58 5.983 11.092 -10.816 1.00 0.00 C ATOM 807 CD PRO A 58 4.630 10.606 -10.362 1.00 0.00 C ATOM 0 HA PRO A 58 4.047 11.472 -13.516 1.00 0.00 H new ATOM 0 HB2 PRO A 58 6.683 11.642 -12.766 1.00 0.00 H new ATOM 0 HB3 PRO A 58 5.542 12.774 -12.068 1.00 0.00 H new ATOM 0 HG2 PRO A 58 6.692 10.266 -10.875 1.00 0.00 H new ATOM 0 HG3 PRO A 58 6.393 11.814 -10.110 1.00 0.00 H new ATOM 0 HD2 PRO A 58 4.691 9.614 -9.914 1.00 0.00 H new ATOM 0 HD3 PRO A 58 4.198 11.269 -9.612 1.00 0.00 H new ATOM 815 N PRO A 59 5.467 9.903 -14.825 1.00 0.00 N ATOM 816 CA PRO A 59 6.089 8.867 -15.647 1.00 0.00 C ATOM 817 C PRO A 59 7.533 8.606 -15.223 1.00 0.00 C ATOM 818 O PRO A 59 8.250 9.531 -14.830 1.00 0.00 O ATOM 819 CB PRO A 59 6.032 9.447 -17.062 1.00 0.00 C ATOM 820 CG PRO A 59 5.967 10.923 -16.870 1.00 0.00 C ATOM 821 CD PRO A 59 5.220 11.143 -15.585 1.00 0.00 C ATOM 0 HA PRO A 59 5.583 7.906 -15.558 1.00 0.00 H new ATOM 0 HB2 PRO A 59 6.910 9.162 -17.641 1.00 0.00 H new ATOM 0 HB3 PRO A 59 5.160 9.081 -17.604 1.00 0.00 H new ATOM 0 HG2 PRO A 59 6.967 11.354 -16.818 1.00 0.00 H new ATOM 0 HG3 PRO A 59 5.456 11.403 -17.705 1.00 0.00 H new ATOM 0 HD2 PRO A 59 5.588 12.020 -15.052 1.00 0.00 H new ATOM 0 HD3 PRO A 59 4.156 11.300 -15.761 1.00 0.00 H new ATOM 829 N GLN A 60 7.945 7.346 -15.340 1.00 0.00 N ATOM 830 CA GLN A 60 9.230 6.856 -14.825 1.00 0.00 C ATOM 831 C GLN A 60 10.401 7.791 -15.144 1.00 0.00 C ATOM 832 O GLN A 60 11.220 8.088 -14.275 1.00 0.00 O ATOM 833 CB GLN A 60 9.543 5.462 -15.388 1.00 0.00 C ATOM 834 CG GLN A 60 8.397 4.464 -15.280 1.00 0.00 C ATOM 835 CD GLN A 60 7.425 4.553 -16.446 1.00 0.00 C ATOM 836 OE1 GLN A 60 6.449 5.301 -16.407 1.00 0.00 O ATOM 837 NE2 GLN A 60 7.692 3.801 -17.501 1.00 0.00 N ATOM 0 H GLN A 60 7.391 6.624 -15.801 1.00 0.00 H new ATOM 0 HA GLN A 60 9.121 6.814 -13.741 1.00 0.00 H new ATOM 0 HB2 GLN A 60 9.823 5.562 -16.437 1.00 0.00 H new ATOM 0 HB3 GLN A 60 10.410 5.059 -14.864 1.00 0.00 H new ATOM 0 HG2 GLN A 60 8.804 3.454 -15.229 1.00 0.00 H new ATOM 0 HG3 GLN A 60 7.857 4.637 -14.349 1.00 0.00 H new ATOM 0 HE21 GLN A 60 8.510 3.192 -17.499 1.00 0.00 H new ATOM 0 HE22 GLN A 60 7.080 3.830 -18.316 1.00 0.00 H new ATOM 846 N HIS A 61 10.463 8.267 -16.383 1.00 0.00 N ATOM 847 CA HIS A 61 11.611 9.051 -16.850 1.00 0.00 C ATOM 848 C HIS A 61 11.746 10.392 -16.122 1.00 0.00 C ATOM 849 O HIS A 61 12.814 10.997 -16.132 1.00 0.00 O ATOM 850 CB HIS A 61 11.536 9.277 -18.369 1.00 0.00 C ATOM 851 CG HIS A 61 10.357 10.085 -18.833 1.00 0.00 C ATOM 852 ND1 HIS A 61 9.201 9.519 -19.321 1.00 0.00 N ATOM 853 CD2 HIS A 61 10.166 11.425 -18.883 1.00 0.00 C ATOM 854 CE1 HIS A 61 8.354 10.474 -19.656 1.00 0.00 C ATOM 855 NE2 HIS A 61 8.915 11.639 -19.400 1.00 0.00 N ATOM 0 H HIS A 61 9.736 8.126 -17.084 1.00 0.00 H new ATOM 0 HA HIS A 61 12.501 8.467 -16.617 1.00 0.00 H new ATOM 0 HB2 HIS A 61 12.449 9.776 -18.693 1.00 0.00 H new ATOM 0 HB3 HIS A 61 11.510 8.307 -18.865 1.00 0.00 H new ATOM 0 HD2 HIS A 61 10.869 12.184 -18.573 1.00 0.00 H new ATOM 0 HE1 HIS A 61 7.368 10.326 -20.070 1.00 0.00 H new ATOM 0 HE2 HIS A 61 8.488 12.551 -19.561 1.00 0.00 H new ATOM 863 N ARG A 62 10.675 10.858 -15.490 1.00 0.00 N ATOM 864 CA ARG A 62 10.708 12.147 -14.808 1.00 0.00 C ATOM 865 C ARG A 62 11.392 12.041 -13.451 1.00 0.00 C ATOM 866 O ARG A 62 11.958 13.014 -12.961 1.00 0.00 O ATOM 867 CB ARG A 62 9.296 12.716 -14.641 1.00 0.00 C ATOM 868 CG ARG A 62 8.721 13.322 -15.914 1.00 0.00 C ATOM 869 CD ARG A 62 9.524 14.534 -16.373 1.00 0.00 C ATOM 870 NE ARG A 62 8.923 15.187 -17.535 1.00 0.00 N ATOM 871 CZ ARG A 62 9.494 16.182 -18.218 1.00 0.00 C ATOM 872 NH1 ARG A 62 10.702 16.624 -17.882 1.00 0.00 N ATOM 873 NH2 ARG A 62 8.851 16.740 -19.235 1.00 0.00 N ATOM 0 H ARG A 62 9.782 10.369 -15.435 1.00 0.00 H new ATOM 0 HA ARG A 62 11.288 12.828 -15.431 1.00 0.00 H new ATOM 0 HB2 ARG A 62 8.633 11.922 -14.297 1.00 0.00 H new ATOM 0 HB3 ARG A 62 9.312 13.478 -13.862 1.00 0.00 H new ATOM 0 HG2 ARG A 62 8.713 12.571 -16.703 1.00 0.00 H new ATOM 0 HG3 ARG A 62 7.685 13.615 -15.742 1.00 0.00 H new ATOM 0 HD2 ARG A 62 9.598 15.250 -15.554 1.00 0.00 H new ATOM 0 HD3 ARG A 62 10.540 14.223 -16.618 1.00 0.00 H new ATOM 0 HE ARG A 62 8.007 14.861 -17.844 1.00 0.00 H new ATOM 0 HH11 ARG A 62 11.199 16.203 -17.097 1.00 0.00 H new ATOM 0 HH12 ARG A 62 11.132 17.385 -18.409 1.00 0.00 H new ATOM 0 HH21 ARG A 62 7.922 16.409 -19.494 1.00 0.00 H new ATOM 0 HH22 ARG A 62 9.286 17.500 -19.758 1.00 0.00 H new ATOM 887 N LEU A 63 11.356 10.855 -12.858 1.00 0.00 N ATOM 888 CA LEU A 63 11.934 10.653 -11.534 1.00 0.00 C ATOM 889 C LEU A 63 13.455 10.712 -11.594 1.00 0.00 C ATOM 890 O LEU A 63 14.103 11.237 -10.688 1.00 0.00 O ATOM 891 CB LEU A 63 11.487 9.312 -10.933 1.00 0.00 C ATOM 892 CG LEU A 63 9.998 9.192 -10.575 1.00 0.00 C ATOM 893 CD1 LEU A 63 9.523 10.417 -9.815 1.00 0.00 C ATOM 894 CD2 LEU A 63 9.147 8.965 -11.814 1.00 0.00 C ATOM 0 H LEU A 63 10.935 10.022 -13.269 1.00 0.00 H new ATOM 0 HA LEU A 63 11.574 11.457 -10.892 1.00 0.00 H new ATOM 0 HB2 LEU A 63 11.734 8.520 -11.640 1.00 0.00 H new ATOM 0 HB3 LEU A 63 12.072 9.128 -10.032 1.00 0.00 H new ATOM 0 HG LEU A 63 9.884 8.322 -9.928 1.00 0.00 H new ATOM 0 HD11 LEU A 63 8.466 10.308 -9.573 1.00 0.00 H new ATOM 0 HD12 LEU A 63 10.097 10.519 -8.894 1.00 0.00 H new ATOM 0 HD13 LEU A 63 9.664 11.305 -10.431 1.00 0.00 H new ATOM 0 HD21 LEU A 63 8.099 8.884 -11.526 1.00 0.00 H new ATOM 0 HD22 LEU A 63 9.271 9.803 -12.499 1.00 0.00 H new ATOM 0 HD23 LEU A 63 9.460 8.044 -12.306 1.00 0.00 H new ATOM 906 N ARG A 64 14.013 10.185 -12.680 1.00 0.00 N ATOM 907 CA ARG A 64 15.462 10.147 -12.873 1.00 0.00 C ATOM 908 C ARG A 64 16.075 11.543 -12.779 1.00 0.00 C ATOM 909 O ARG A 64 16.886 11.822 -11.894 1.00 0.00 O ATOM 910 CB ARG A 64 15.806 9.545 -14.241 1.00 0.00 C ATOM 911 CG ARG A 64 15.902 8.023 -14.281 1.00 0.00 C ATOM 912 CD ARG A 64 14.588 7.333 -13.946 1.00 0.00 C ATOM 913 NE ARG A 64 14.480 7.010 -12.525 1.00 0.00 N ATOM 914 CZ ARG A 64 13.750 6.002 -12.052 1.00 0.00 C ATOM 915 NH1 ARG A 64 13.023 5.255 -12.879 1.00 0.00 N ATOM 916 NH2 ARG A 64 13.747 5.744 -10.751 1.00 0.00 N ATOM 0 H ARG A 64 13.480 9.775 -13.447 1.00 0.00 H new ATOM 0 HA ARG A 64 15.877 9.525 -12.080 1.00 0.00 H new ATOM 0 HB2 ARG A 64 15.051 9.863 -14.959 1.00 0.00 H new ATOM 0 HB3 ARG A 64 16.757 9.961 -14.573 1.00 0.00 H new ATOM 0 HG2 ARG A 64 16.226 7.711 -15.274 1.00 0.00 H new ATOM 0 HG3 ARG A 64 16.667 7.695 -13.578 1.00 0.00 H new ATOM 0 HD2 ARG A 64 13.758 7.977 -14.234 1.00 0.00 H new ATOM 0 HD3 ARG A 64 14.500 6.418 -14.532 1.00 0.00 H new ATOM 0 HE ARG A 64 14.992 7.588 -11.859 1.00 0.00 H new ATOM 0 HH11 ARG A 64 13.024 5.454 -13.879 1.00 0.00 H new ATOM 0 HH12 ARG A 64 12.465 4.484 -12.512 1.00 0.00 H new ATOM 0 HH21 ARG A 64 14.303 6.317 -10.116 1.00 0.00 H new ATOM 0 HH22 ARG A 64 13.189 4.973 -10.385 1.00 0.00 H new ATOM 930 N ALA A 65 15.657 12.419 -13.683 1.00 0.00 N ATOM 931 CA ALA A 65 16.266 13.739 -13.824 1.00 0.00 C ATOM 932 C ALA A 65 15.950 14.653 -12.643 1.00 0.00 C ATOM 933 O ALA A 65 16.696 15.589 -12.359 1.00 0.00 O ATOM 934 CB ALA A 65 15.807 14.385 -15.123 1.00 0.00 C ATOM 0 H ALA A 65 14.893 12.239 -14.335 1.00 0.00 H new ATOM 0 HA ALA A 65 17.347 13.599 -13.843 1.00 0.00 H new ATOM 0 HB1 ALA A 65 16.265 15.369 -15.222 1.00 0.00 H new ATOM 0 HB2 ALA A 65 16.105 13.760 -15.965 1.00 0.00 H new ATOM 0 HB3 ALA A 65 14.722 14.489 -15.114 1.00 0.00 H new ATOM 940 N MET A 66 14.863 14.368 -11.939 1.00 0.00 N ATOM 941 CA MET A 66 14.410 15.249 -10.869 1.00 0.00 C ATOM 942 C MET A 66 15.118 14.938 -9.562 1.00 0.00 C ATOM 943 O MET A 66 15.368 15.830 -8.754 1.00 0.00 O ATOM 944 CB MET A 66 12.896 15.158 -10.689 1.00 0.00 C ATOM 945 CG MET A 66 12.120 16.031 -11.664 1.00 0.00 C ATOM 946 SD MET A 66 12.490 17.788 -11.471 1.00 0.00 S ATOM 947 CE MET A 66 12.087 18.039 -9.740 1.00 0.00 C ATOM 0 H MET A 66 14.283 13.542 -12.086 1.00 0.00 H new ATOM 0 HA MET A 66 14.662 16.270 -11.157 1.00 0.00 H new ATOM 0 HB2 MET A 66 12.584 14.121 -10.813 1.00 0.00 H new ATOM 0 HB3 MET A 66 12.640 15.448 -9.670 1.00 0.00 H new ATOM 0 HG2 MET A 66 12.352 15.725 -12.684 1.00 0.00 H new ATOM 0 HG3 MET A 66 11.052 15.871 -11.518 1.00 0.00 H new ATOM 0 HE1 MET A 66 11.551 18.981 -9.624 1.00 0.00 H new ATOM 0 HE2 MET A 66 11.459 17.219 -9.390 1.00 0.00 H new ATOM 0 HE3 MET A 66 13.005 18.069 -9.153 1.00 0.00 H new ATOM 957 N ASN A 67 15.452 13.674 -9.360 1.00 0.00 N ATOM 958 CA ASN A 67 16.171 13.269 -8.161 1.00 0.00 C ATOM 959 C ASN A 67 17.585 13.855 -8.180 1.00 0.00 C ATOM 960 O ASN A 67 18.114 14.273 -7.150 1.00 0.00 O ATOM 961 CB ASN A 67 16.181 11.735 -8.044 1.00 0.00 C ATOM 962 CG ASN A 67 17.550 11.109 -8.225 1.00 0.00 C ATOM 963 OD1 ASN A 67 18.274 10.886 -7.257 1.00 0.00 O ATOM 964 ND2 ASN A 67 17.913 10.819 -9.465 1.00 0.00 N ATOM 0 H ASN A 67 15.239 12.914 -10.006 1.00 0.00 H new ATOM 0 HA ASN A 67 15.664 13.659 -7.278 1.00 0.00 H new ATOM 0 HB2 ASN A 67 15.791 11.453 -7.066 1.00 0.00 H new ATOM 0 HB3 ASN A 67 15.502 11.320 -8.789 1.00 0.00 H new ATOM 0 HD21 ASN A 67 18.823 10.395 -9.644 1.00 0.00 H new ATOM 0 HD22 ASN A 67 17.283 11.020 -10.241 1.00 0.00 H new ATOM 971 N THR A 68 18.170 13.928 -9.374 1.00 0.00 N ATOM 972 CA THR A 68 19.487 14.521 -9.554 1.00 0.00 C ATOM 973 C THR A 68 19.407 16.045 -9.456 1.00 0.00 C ATOM 974 O THR A 68 20.312 16.696 -8.930 1.00 0.00 O ATOM 975 CB THR A 68 20.090 14.115 -10.917 1.00 0.00 C ATOM 976 OG1 THR A 68 20.149 12.683 -11.009 1.00 0.00 O ATOM 977 CG2 THR A 68 21.486 14.695 -11.106 1.00 0.00 C ATOM 0 H THR A 68 17.747 13.580 -10.234 1.00 0.00 H new ATOM 0 HA THR A 68 20.135 14.148 -8.760 1.00 0.00 H new ATOM 0 HB THR A 68 19.449 14.515 -11.702 1.00 0.00 H new ATOM 0 HG1 THR A 68 20.530 12.426 -11.875 1.00 0.00 H new ATOM 0 HG21 THR A 68 21.879 14.389 -12.075 1.00 0.00 H new ATOM 0 HG22 THR A 68 21.437 15.783 -11.061 1.00 0.00 H new ATOM 0 HG23 THR A 68 22.142 14.329 -10.316 1.00 0.00 H new ATOM 985 N ALA A 69 18.306 16.605 -9.951 1.00 0.00 N ATOM 986 CA ALA A 69 18.101 18.047 -9.940 1.00 0.00 C ATOM 987 C ALA A 69 18.030 18.584 -8.513 1.00 0.00 C ATOM 988 O ALA A 69 18.681 19.576 -8.183 1.00 0.00 O ATOM 989 CB ALA A 69 16.834 18.407 -10.705 1.00 0.00 C ATOM 0 H ALA A 69 17.539 16.076 -10.367 1.00 0.00 H new ATOM 0 HA ALA A 69 18.955 18.512 -10.432 1.00 0.00 H new ATOM 0 HB1 ALA A 69 16.694 19.488 -10.688 1.00 0.00 H new ATOM 0 HB2 ALA A 69 16.924 18.069 -11.737 1.00 0.00 H new ATOM 0 HB3 ALA A 69 15.977 17.923 -10.238 1.00 0.00 H new ATOM 995 N MET A 70 17.255 17.913 -7.667 1.00 0.00 N ATOM 996 CA MET A 70 17.072 18.351 -6.286 1.00 0.00 C ATOM 997 C MET A 70 18.388 18.250 -5.525 1.00 0.00 C ATOM 998 O MET A 70 18.775 19.167 -4.800 1.00 0.00 O ATOM 999 CB MET A 70 15.983 17.509 -5.608 1.00 0.00 C ATOM 1000 CG MET A 70 15.551 18.030 -4.242 1.00 0.00 C ATOM 1001 SD MET A 70 16.578 17.424 -2.887 1.00 0.00 S ATOM 1002 CE MET A 70 15.977 15.746 -2.730 1.00 0.00 C ATOM 0 H MET A 70 16.744 17.065 -7.912 1.00 0.00 H new ATOM 0 HA MET A 70 16.754 19.393 -6.281 1.00 0.00 H new ATOM 0 HB2 MET A 70 15.111 17.468 -6.261 1.00 0.00 H new ATOM 0 HB3 MET A 70 16.346 16.487 -5.497 1.00 0.00 H new ATOM 0 HG2 MET A 70 15.580 19.120 -4.251 1.00 0.00 H new ATOM 0 HG3 MET A 70 14.516 17.740 -4.061 1.00 0.00 H new ATOM 0 HE1 MET A 70 16.370 15.303 -1.815 1.00 0.00 H new ATOM 0 HE2 MET A 70 14.888 15.752 -2.692 1.00 0.00 H new ATOM 0 HE3 MET A 70 16.307 15.160 -3.588 1.00 0.00 H new ATOM 1012 N ALA A 71 19.090 17.141 -5.734 1.00 0.00 N ATOM 1013 CA ALA A 71 20.378 16.899 -5.090 1.00 0.00 C ATOM 1014 C ALA A 71 21.380 18.009 -5.402 1.00 0.00 C ATOM 1015 O ALA A 71 22.191 18.386 -4.555 1.00 0.00 O ATOM 1016 CB ALA A 71 20.933 15.555 -5.534 1.00 0.00 C ATOM 0 H ALA A 71 18.785 16.388 -6.351 1.00 0.00 H new ATOM 0 HA ALA A 71 20.218 16.889 -4.012 1.00 0.00 H new ATOM 0 HB1 ALA A 71 21.894 15.380 -5.050 1.00 0.00 H new ATOM 0 HB2 ALA A 71 20.237 14.764 -5.255 1.00 0.00 H new ATOM 0 HB3 ALA A 71 21.066 15.556 -6.616 1.00 0.00 H new ATOM 1022 N ALA A 72 21.302 18.543 -6.615 1.00 0.00 N ATOM 1023 CA ALA A 72 22.236 19.567 -7.065 1.00 0.00 C ATOM 1024 C ALA A 72 22.020 20.885 -6.330 1.00 0.00 C ATOM 1025 O ALA A 72 22.960 21.658 -6.133 1.00 0.00 O ATOM 1026 CB ALA A 72 22.101 19.773 -8.565 1.00 0.00 C ATOM 0 H ALA A 72 20.599 18.282 -7.306 1.00 0.00 H new ATOM 0 HA ALA A 72 23.245 19.223 -6.838 1.00 0.00 H new ATOM 0 HB1 ALA A 72 22.803 20.540 -8.892 1.00 0.00 H new ATOM 0 HB2 ALA A 72 22.319 18.838 -9.082 1.00 0.00 H new ATOM 0 HB3 ALA A 72 21.084 20.089 -8.799 1.00 0.00 H new ATOM 1032 N GLU A 73 20.787 21.136 -5.915 1.00 0.00 N ATOM 1033 CA GLU A 73 20.453 22.390 -5.255 1.00 0.00 C ATOM 1034 C GLU A 73 20.710 22.304 -3.755 1.00 0.00 C ATOM 1035 O GLU A 73 20.993 23.312 -3.107 1.00 0.00 O ATOM 1036 CB GLU A 73 19.002 22.773 -5.555 1.00 0.00 C ATOM 1037 CG GLU A 73 18.759 22.977 -7.044 1.00 0.00 C ATOM 1038 CD GLU A 73 17.348 23.419 -7.372 1.00 0.00 C ATOM 1039 OE1 GLU A 73 17.080 24.638 -7.323 1.00 0.00 O ATOM 1040 OE2 GLU A 73 16.517 22.557 -7.714 1.00 0.00 O ATOM 0 H GLU A 73 20.004 20.491 -6.023 1.00 0.00 H new ATOM 0 HA GLU A 73 21.100 23.174 -5.648 1.00 0.00 H new ATOM 0 HB2 GLU A 73 18.338 21.993 -5.183 1.00 0.00 H new ATOM 0 HB3 GLU A 73 18.751 23.688 -5.019 1.00 0.00 H new ATOM 0 HG2 GLU A 73 19.461 23.722 -7.420 1.00 0.00 H new ATOM 0 HG3 GLU A 73 18.971 22.046 -7.569 1.00 0.00 H new ATOM 1047 N VAL A 74 20.641 21.097 -3.207 1.00 0.00 N ATOM 1048 CA VAL A 74 20.964 20.888 -1.798 1.00 0.00 C ATOM 1049 C VAL A 74 22.472 20.999 -1.584 1.00 0.00 C ATOM 1050 O VAL A 74 22.938 21.382 -0.511 1.00 0.00 O ATOM 1051 CB VAL A 74 20.467 19.512 -1.301 1.00 0.00 C ATOM 1052 CG1 VAL A 74 20.795 19.306 0.172 1.00 0.00 C ATOM 1053 CG2 VAL A 74 18.975 19.374 -1.535 1.00 0.00 C ATOM 0 H VAL A 74 20.367 20.253 -3.710 1.00 0.00 H new ATOM 0 HA VAL A 74 20.455 21.661 -1.222 1.00 0.00 H new ATOM 0 HB VAL A 74 20.986 18.741 -1.871 1.00 0.00 H new ATOM 0 HG11 VAL A 74 20.433 18.329 0.492 1.00 0.00 H new ATOM 0 HG12 VAL A 74 21.874 19.358 0.315 1.00 0.00 H new ATOM 0 HG13 VAL A 74 20.313 20.084 0.764 1.00 0.00 H new ATOM 0 HG21 VAL A 74 18.640 18.400 -1.180 1.00 0.00 H new ATOM 0 HG22 VAL A 74 18.448 20.159 -0.993 1.00 0.00 H new ATOM 0 HG23 VAL A 74 18.764 19.464 -2.601 1.00 0.00 H new ATOM 1063 N ALA A 75 23.231 20.691 -2.629 1.00 0.00 N ATOM 1064 CA ALA A 75 24.686 20.756 -2.580 1.00 0.00 C ATOM 1065 C ALA A 75 25.172 22.179 -2.295 1.00 0.00 C ATOM 1066 O ALA A 75 26.247 22.378 -1.726 1.00 0.00 O ATOM 1067 CB ALA A 75 25.267 20.252 -3.892 1.00 0.00 C ATOM 0 H ALA A 75 22.857 20.391 -3.529 1.00 0.00 H new ATOM 0 HA ALA A 75 25.029 20.120 -1.764 1.00 0.00 H new ATOM 0 HB1 ALA A 75 26.355 20.302 -3.851 1.00 0.00 H new ATOM 0 HB2 ALA A 75 24.957 19.220 -4.054 1.00 0.00 H new ATOM 0 HB3 ALA A 75 24.906 20.872 -4.712 1.00 0.00 H new ATOM 1073 N GLU A 76 24.354 23.160 -2.660 1.00 0.00 N ATOM 1074 CA GLU A 76 24.707 24.570 -2.510 1.00 0.00 C ATOM 1075 C GLU A 76 24.874 24.963 -1.045 1.00 0.00 C ATOM 1076 O GLU A 76 25.669 25.844 -0.722 1.00 0.00 O ATOM 1077 CB GLU A 76 23.644 25.451 -3.167 1.00 0.00 C ATOM 1078 CG GLU A 76 23.625 25.344 -4.680 1.00 0.00 C ATOM 1079 CD GLU A 76 24.871 25.928 -5.314 1.00 0.00 C ATOM 1080 OE1 GLU A 76 25.905 25.230 -5.369 1.00 0.00 O ATOM 1081 OE2 GLU A 76 24.818 27.096 -5.757 1.00 0.00 O ATOM 0 H GLU A 76 23.432 23.003 -3.066 1.00 0.00 H new ATOM 0 HA GLU A 76 25.666 24.722 -3.006 1.00 0.00 H new ATOM 0 HB2 GLU A 76 22.664 25.176 -2.778 1.00 0.00 H new ATOM 0 HB3 GLU A 76 23.819 26.489 -2.886 1.00 0.00 H new ATOM 0 HG2 GLU A 76 23.531 24.297 -4.967 1.00 0.00 H new ATOM 0 HG3 GLU A 76 22.747 25.860 -5.067 1.00 0.00 H new ATOM 1088 N VAL A 77 24.136 24.306 -0.159 1.00 0.00 N ATOM 1089 CA VAL A 77 24.196 24.638 1.262 1.00 0.00 C ATOM 1090 C VAL A 77 25.393 23.959 1.919 1.00 0.00 C ATOM 1091 O VAL A 77 25.883 24.405 2.953 1.00 0.00 O ATOM 1092 CB VAL A 77 22.903 24.238 2.015 1.00 0.00 C ATOM 1093 CG1 VAL A 77 21.677 24.719 1.263 1.00 0.00 C ATOM 1094 CG2 VAL A 77 22.834 22.737 2.242 1.00 0.00 C ATOM 0 H VAL A 77 23.495 23.548 -0.394 1.00 0.00 H new ATOM 0 HA VAL A 77 24.302 25.721 1.327 1.00 0.00 H new ATOM 0 HB VAL A 77 22.925 24.722 2.992 1.00 0.00 H new ATOM 0 HG11 VAL A 77 20.779 24.428 1.808 1.00 0.00 H new ATOM 0 HG12 VAL A 77 21.710 25.805 1.170 1.00 0.00 H new ATOM 0 HG13 VAL A 77 21.660 24.270 0.270 1.00 0.00 H new ATOM 0 HG21 VAL A 77 21.914 22.491 2.773 1.00 0.00 H new ATOM 0 HG22 VAL A 77 22.847 22.223 1.281 1.00 0.00 H new ATOM 0 HG23 VAL A 77 23.691 22.419 2.835 1.00 0.00 H new ATOM 1104 N VAL A 78 25.873 22.891 1.297 1.00 0.00 N ATOM 1105 CA VAL A 78 26.946 22.093 1.872 1.00 0.00 C ATOM 1106 C VAL A 78 28.312 22.612 1.426 1.00 0.00 C ATOM 1107 O VAL A 78 29.284 22.557 2.177 1.00 0.00 O ATOM 1108 CB VAL A 78 26.803 20.606 1.476 1.00 0.00 C ATOM 1109 CG1 VAL A 78 27.775 19.737 2.258 1.00 0.00 C ATOM 1110 CG2 VAL A 78 25.375 20.128 1.688 1.00 0.00 C ATOM 0 H VAL A 78 25.536 22.557 0.394 1.00 0.00 H new ATOM 0 HA VAL A 78 26.872 22.178 2.956 1.00 0.00 H new ATOM 0 HB VAL A 78 27.044 20.517 0.417 1.00 0.00 H new ATOM 0 HG11 VAL A 78 27.653 18.696 1.960 1.00 0.00 H new ATOM 0 HG12 VAL A 78 28.796 20.057 2.051 1.00 0.00 H new ATOM 0 HG13 VAL A 78 27.573 19.835 3.325 1.00 0.00 H new ATOM 0 HG21 VAL A 78 25.296 19.079 1.403 1.00 0.00 H new ATOM 0 HG22 VAL A 78 25.106 20.240 2.738 1.00 0.00 H new ATOM 0 HG23 VAL A 78 24.698 20.722 1.075 1.00 0.00 H new ATOM 1120 N ALA A 79 28.361 23.151 0.211 1.00 0.00 N ATOM 1121 CA ALA A 79 29.608 23.634 -0.383 1.00 0.00 C ATOM 1122 C ALA A 79 30.194 24.819 0.382 1.00 0.00 C ATOM 1123 O ALA A 79 31.376 25.130 0.250 1.00 0.00 O ATOM 1124 CB ALA A 79 29.371 24.019 -1.834 1.00 0.00 C ATOM 0 H ALA A 79 27.544 23.266 -0.388 1.00 0.00 H new ATOM 0 HA ALA A 79 30.333 22.822 -0.327 1.00 0.00 H new ATOM 0 HB1 ALA A 79 30.302 24.378 -2.272 1.00 0.00 H new ATOM 0 HB2 ALA A 79 29.021 23.149 -2.389 1.00 0.00 H new ATOM 0 HB3 ALA A 79 28.619 24.807 -1.883 1.00 0.00 H new ATOM 1130 N THR A 80 29.366 25.474 1.183 1.00 0.00 N ATOM 1131 CA THR A 80 29.787 26.653 1.924 1.00 0.00 C ATOM 1132 C THR A 80 30.370 26.269 3.294 1.00 0.00 C ATOM 1133 O THR A 80 30.645 27.128 4.135 1.00 0.00 O ATOM 1134 CB THR A 80 28.594 27.613 2.097 1.00 0.00 C ATOM 1135 OG1 THR A 80 27.821 27.619 0.886 1.00 0.00 O ATOM 1136 CG2 THR A 80 29.059 29.033 2.398 1.00 0.00 C ATOM 0 H THR A 80 28.394 25.207 1.336 1.00 0.00 H new ATOM 0 HA THR A 80 30.572 27.154 1.358 1.00 0.00 H new ATOM 0 HB THR A 80 27.993 27.266 2.938 1.00 0.00 H new ATOM 0 HG1 THR A 80 27.058 28.226 0.988 1.00 0.00 H new ATOM 0 HG21 THR A 80 28.192 29.683 2.514 1.00 0.00 H new ATOM 0 HG22 THR A 80 29.642 29.038 3.319 1.00 0.00 H new ATOM 0 HG23 THR A 80 29.677 29.395 1.576 1.00 0.00 H new ATOM 1144 N SER A 81 30.572 24.973 3.504 1.00 0.00 N ATOM 1145 CA SER A 81 31.119 24.476 4.758 1.00 0.00 C ATOM 1146 C SER A 81 32.621 24.223 4.627 1.00 0.00 C ATOM 1147 O SER A 81 33.064 23.594 3.664 1.00 0.00 O ATOM 1148 CB SER A 81 30.413 23.179 5.156 1.00 0.00 C ATOM 1149 OG SER A 81 29.006 23.322 5.083 1.00 0.00 O ATOM 0 H SER A 81 30.364 24.247 2.819 1.00 0.00 H new ATOM 0 HA SER A 81 30.956 25.230 5.528 1.00 0.00 H new ATOM 0 HB2 SER A 81 30.734 22.370 4.500 1.00 0.00 H new ATOM 0 HB3 SER A 81 30.701 22.900 6.170 1.00 0.00 H new ATOM 0 HG SER A 81 28.706 23.144 4.167 1.00 0.00 H new ATOM 1155 N PRO A 82 33.426 24.712 5.582 1.00 0.00 N ATOM 1156 CA PRO A 82 34.868 24.458 5.593 1.00 0.00 C ATOM 1157 C PRO A 82 35.175 22.991 5.895 1.00 0.00 C ATOM 1158 O PRO A 82 34.582 22.413 6.804 1.00 0.00 O ATOM 1159 CB PRO A 82 35.387 25.363 6.715 1.00 0.00 C ATOM 1160 CG PRO A 82 34.212 25.583 7.606 1.00 0.00 C ATOM 1161 CD PRO A 82 32.999 25.550 6.719 1.00 0.00 C ATOM 0 HA PRO A 82 35.333 24.662 4.629 1.00 0.00 H new ATOM 0 HB2 PRO A 82 36.209 24.892 7.254 1.00 0.00 H new ATOM 0 HB3 PRO A 82 35.765 26.306 6.319 1.00 0.00 H new ATOM 0 HG2 PRO A 82 34.155 24.810 8.372 1.00 0.00 H new ATOM 0 HG3 PRO A 82 34.290 26.539 8.123 1.00 0.00 H new ATOM 0 HD2 PRO A 82 32.138 25.122 7.232 1.00 0.00 H new ATOM 0 HD3 PRO A 82 32.712 26.550 6.395 1.00 0.00 H new ATOM 1169 N PRO A 83 36.100 22.377 5.129 1.00 0.00 N ATOM 1170 CA PRO A 83 36.468 20.955 5.266 1.00 0.00 C ATOM 1171 C PRO A 83 36.622 20.479 6.714 1.00 0.00 C ATOM 1172 O PRO A 83 36.149 19.399 7.068 1.00 0.00 O ATOM 1173 CB PRO A 83 37.807 20.882 4.540 1.00 0.00 C ATOM 1174 CG PRO A 83 37.695 21.906 3.466 1.00 0.00 C ATOM 1175 CD PRO A 83 36.854 23.022 4.035 1.00 0.00 C ATOM 0 HA PRO A 83 35.689 20.308 4.864 1.00 0.00 H new ATOM 0 HB2 PRO A 83 38.637 21.099 5.212 1.00 0.00 H new ATOM 0 HB3 PRO A 83 37.983 19.889 4.127 1.00 0.00 H new ATOM 0 HG2 PRO A 83 38.679 22.271 3.172 1.00 0.00 H new ATOM 0 HG3 PRO A 83 37.231 21.485 2.574 1.00 0.00 H new ATOM 0 HD2 PRO A 83 37.473 23.840 4.404 1.00 0.00 H new ATOM 0 HD3 PRO A 83 36.186 23.442 3.283 1.00 0.00 H new ATOM 1183 N GLN A 84 37.262 21.292 7.553 1.00 0.00 N ATOM 1184 CA GLN A 84 37.521 20.912 8.943 1.00 0.00 C ATOM 1185 C GLN A 84 36.224 20.698 9.729 1.00 0.00 C ATOM 1186 O GLN A 84 36.209 19.978 10.727 1.00 0.00 O ATOM 1187 CB GLN A 84 38.390 21.967 9.639 1.00 0.00 C ATOM 1188 CG GLN A 84 37.752 23.346 9.717 1.00 0.00 C ATOM 1189 CD GLN A 84 38.607 24.338 10.477 1.00 0.00 C ATOM 1190 OE1 GLN A 84 39.836 24.239 10.493 1.00 0.00 O ATOM 1191 NE2 GLN A 84 37.968 25.304 11.109 1.00 0.00 N ATOM 0 H GLN A 84 37.610 22.216 7.297 1.00 0.00 H new ATOM 0 HA GLN A 84 38.058 19.964 8.922 1.00 0.00 H new ATOM 0 HB2 GLN A 84 38.617 21.626 10.649 1.00 0.00 H new ATOM 0 HB3 GLN A 84 39.339 22.047 9.109 1.00 0.00 H new ATOM 0 HG2 GLN A 84 37.577 23.720 8.708 1.00 0.00 H new ATOM 0 HG3 GLN A 84 36.778 23.266 10.200 1.00 0.00 H new ATOM 0 HE21 GLN A 84 36.950 25.352 11.072 1.00 0.00 H new ATOM 0 HE22 GLN A 84 38.492 26.003 11.635 1.00 0.00 H new ATOM 1200 N SER A 85 35.140 21.309 9.276 1.00 0.00 N ATOM 1201 CA SER A 85 33.857 21.188 9.956 1.00 0.00 C ATOM 1202 C SER A 85 32.812 20.564 9.029 1.00 0.00 C ATOM 1203 O SER A 85 31.650 20.404 9.403 1.00 0.00 O ATOM 1204 CB SER A 85 33.392 22.567 10.434 1.00 0.00 C ATOM 1205 OG SER A 85 34.404 23.208 11.194 1.00 0.00 O ATOM 0 H SER A 85 35.122 21.894 8.441 1.00 0.00 H new ATOM 0 HA SER A 85 33.977 20.534 10.820 1.00 0.00 H new ATOM 0 HB2 SER A 85 33.131 23.185 9.575 1.00 0.00 H new ATOM 0 HB3 SER A 85 32.490 22.462 11.037 1.00 0.00 H new ATOM 0 HG SER A 85 34.086 24.087 11.487 1.00 0.00 H new ATOM 1211 N TYR A 86 33.247 20.192 7.829 1.00 0.00 N ATOM 1212 CA TYR A 86 32.359 19.649 6.803 1.00 0.00 C ATOM 1213 C TYR A 86 31.657 18.386 7.297 1.00 0.00 C ATOM 1214 O TYR A 86 30.452 18.221 7.108 1.00 0.00 O ATOM 1215 CB TYR A 86 33.168 19.349 5.535 1.00 0.00 C ATOM 1216 CG TYR A 86 32.349 18.848 4.364 1.00 0.00 C ATOM 1217 CD1 TYR A 86 31.929 17.525 4.293 1.00 0.00 C ATOM 1218 CD2 TYR A 86 32.008 19.700 3.320 1.00 0.00 C ATOM 1219 CE1 TYR A 86 31.192 17.065 3.218 1.00 0.00 C ATOM 1220 CE2 TYR A 86 31.269 19.246 2.242 1.00 0.00 C ATOM 1221 CZ TYR A 86 30.865 17.928 2.197 1.00 0.00 C ATOM 1222 OH TYR A 86 30.127 17.469 1.131 1.00 0.00 O ATOM 0 H TYR A 86 34.223 20.258 7.539 1.00 0.00 H new ATOM 0 HA TYR A 86 31.591 20.389 6.577 1.00 0.00 H new ATOM 0 HB2 TYR A 86 33.692 20.255 5.232 1.00 0.00 H new ATOM 0 HB3 TYR A 86 33.928 18.605 5.773 1.00 0.00 H new ATOM 0 HD1 TYR A 86 32.183 16.844 5.092 1.00 0.00 H new ATOM 0 HD2 TYR A 86 32.325 20.732 3.351 1.00 0.00 H new ATOM 0 HE1 TYR A 86 30.874 16.034 3.179 1.00 0.00 H new ATOM 0 HE2 TYR A 86 31.010 19.921 1.439 1.00 0.00 H new ATOM 0 HH TYR A 86 29.896 18.220 0.545 1.00 0.00 H new ATOM 1232 N SER A 87 32.419 17.511 7.939 1.00 0.00 N ATOM 1233 CA SER A 87 31.907 16.233 8.415 1.00 0.00 C ATOM 1234 C SER A 87 30.703 16.424 9.341 1.00 0.00 C ATOM 1235 O SER A 87 29.738 15.662 9.285 1.00 0.00 O ATOM 1236 CB SER A 87 33.023 15.496 9.150 1.00 0.00 C ATOM 1237 OG SER A 87 34.250 15.625 8.451 1.00 0.00 O ATOM 0 H SER A 87 33.406 17.666 8.144 1.00 0.00 H new ATOM 0 HA SER A 87 31.573 15.648 7.558 1.00 0.00 H new ATOM 0 HB2 SER A 87 33.129 15.897 10.158 1.00 0.00 H new ATOM 0 HB3 SER A 87 32.765 14.442 9.251 1.00 0.00 H new ATOM 0 HG SER A 87 34.955 15.148 8.937 1.00 0.00 H new ATOM 1243 N ALA A 88 30.753 17.472 10.160 1.00 0.00 N ATOM 1244 CA ALA A 88 29.710 17.729 11.147 1.00 0.00 C ATOM 1245 C ALA A 88 28.427 18.176 10.464 1.00 0.00 C ATOM 1246 O ALA A 88 27.328 17.880 10.929 1.00 0.00 O ATOM 1247 CB ALA A 88 30.172 18.777 12.149 1.00 0.00 C ATOM 0 H ALA A 88 31.508 18.158 10.159 1.00 0.00 H new ATOM 0 HA ALA A 88 29.509 16.802 11.684 1.00 0.00 H new ATOM 0 HB1 ALA A 88 29.382 18.957 12.878 1.00 0.00 H new ATOM 0 HB2 ALA A 88 31.065 18.421 12.662 1.00 0.00 H new ATOM 0 HB3 ALA A 88 30.400 19.705 11.625 1.00 0.00 H new ATOM 1253 N VAL A 89 28.590 18.876 9.352 1.00 0.00 N ATOM 1254 CA VAL A 89 27.466 19.366 8.570 1.00 0.00 C ATOM 1255 C VAL A 89 26.845 18.235 7.754 1.00 0.00 C ATOM 1256 O VAL A 89 25.621 18.102 7.674 1.00 0.00 O ATOM 1257 CB VAL A 89 27.916 20.494 7.618 1.00 0.00 C ATOM 1258 CG1 VAL A 89 26.750 21.016 6.789 1.00 0.00 C ATOM 1259 CG2 VAL A 89 28.567 21.627 8.397 1.00 0.00 C ATOM 0 H VAL A 89 29.503 19.120 8.967 1.00 0.00 H new ATOM 0 HA VAL A 89 26.722 19.758 9.264 1.00 0.00 H new ATOM 0 HB VAL A 89 28.654 20.076 6.933 1.00 0.00 H new ATOM 0 HG11 VAL A 89 27.100 21.810 6.129 1.00 0.00 H new ATOM 0 HG12 VAL A 89 26.335 20.204 6.192 1.00 0.00 H new ATOM 0 HG13 VAL A 89 25.979 21.409 7.452 1.00 0.00 H new ATOM 0 HG21 VAL A 89 28.877 22.412 7.707 1.00 0.00 H new ATOM 0 HG22 VAL A 89 27.853 22.034 9.112 1.00 0.00 H new ATOM 0 HG23 VAL A 89 29.439 21.248 8.930 1.00 0.00 H new ATOM 1269 N LEU A 90 27.702 17.409 7.157 1.00 0.00 N ATOM 1270 CA LEU A 90 27.256 16.319 6.309 1.00 0.00 C ATOM 1271 C LEU A 90 26.421 15.321 7.096 1.00 0.00 C ATOM 1272 O LEU A 90 25.426 14.792 6.593 1.00 0.00 O ATOM 1273 CB LEU A 90 28.454 15.609 5.697 1.00 0.00 C ATOM 1274 CG LEU A 90 28.124 14.811 4.445 1.00 0.00 C ATOM 1275 CD1 LEU A 90 27.796 15.743 3.290 1.00 0.00 C ATOM 1276 CD2 LEU A 90 29.258 13.867 4.081 1.00 0.00 C ATOM 0 H LEU A 90 28.715 17.480 7.250 1.00 0.00 H new ATOM 0 HA LEU A 90 26.638 16.740 5.516 1.00 0.00 H new ATOM 0 HB2 LEU A 90 29.217 16.348 5.454 1.00 0.00 H new ATOM 0 HB3 LEU A 90 28.885 14.938 6.440 1.00 0.00 H new ATOM 0 HG LEU A 90 27.244 14.202 4.653 1.00 0.00 H new ATOM 0 HD11 LEU A 90 27.562 15.155 2.403 1.00 0.00 H new ATOM 0 HD12 LEU A 90 26.937 16.360 3.553 1.00 0.00 H new ATOM 0 HD13 LEU A 90 28.653 16.384 3.085 1.00 0.00 H new ATOM 0 HD21 LEU A 90 28.993 13.310 3.182 1.00 0.00 H new ATOM 0 HD22 LEU A 90 30.166 14.442 3.898 1.00 0.00 H new ATOM 0 HD23 LEU A 90 29.429 13.171 4.902 1.00 0.00 H new ATOM 1288 N ASN A 91 26.843 15.058 8.325 1.00 0.00 N ATOM 1289 CA ASN A 91 26.108 14.161 9.215 1.00 0.00 C ATOM 1290 C ASN A 91 24.673 14.640 9.405 1.00 0.00 C ATOM 1291 O ASN A 91 23.739 13.838 9.405 1.00 0.00 O ATOM 1292 CB ASN A 91 26.796 14.043 10.578 1.00 0.00 C ATOM 1293 CG ASN A 91 28.110 13.287 10.510 1.00 0.00 C ATOM 1294 OD1 ASN A 91 28.305 12.435 9.644 1.00 0.00 O ATOM 1295 ND2 ASN A 91 29.016 13.583 11.430 1.00 0.00 N ATOM 0 H ASN A 91 27.691 15.452 8.732 1.00 0.00 H new ATOM 0 HA ASN A 91 26.095 13.177 8.746 1.00 0.00 H new ATOM 0 HB2 ASN A 91 26.977 15.041 10.976 1.00 0.00 H new ATOM 0 HB3 ASN A 91 26.127 13.538 11.275 1.00 0.00 H new ATOM 0 HD21 ASN A 91 29.913 13.098 11.437 1.00 0.00 H new ATOM 0 HD22 ASN A 91 28.816 14.296 12.132 1.00 0.00 H new ATOM 1302 N THR A 92 24.510 15.950 9.555 1.00 0.00 N ATOM 1303 CA THR A 92 23.195 16.553 9.703 1.00 0.00 C ATOM 1304 C THR A 92 22.349 16.321 8.453 1.00 0.00 C ATOM 1305 O THR A 92 21.233 15.801 8.532 1.00 0.00 O ATOM 1306 CB THR A 92 23.316 18.067 9.956 1.00 0.00 C ATOM 1307 OG1 THR A 92 24.215 18.306 11.045 1.00 0.00 O ATOM 1308 CG2 THR A 92 21.957 18.675 10.272 1.00 0.00 C ATOM 0 H THR A 92 25.281 16.618 9.577 1.00 0.00 H new ATOM 0 HA THR A 92 22.710 16.082 10.558 1.00 0.00 H new ATOM 0 HB THR A 92 23.703 18.536 9.051 1.00 0.00 H new ATOM 0 HG1 THR A 92 25.139 18.208 10.734 1.00 0.00 H new ATOM 0 HG21 THR A 92 22.069 19.745 10.447 1.00 0.00 H new ATOM 0 HG22 THR A 92 21.282 18.513 9.432 1.00 0.00 H new ATOM 0 HG23 THR A 92 21.546 18.203 11.164 1.00 0.00 H new ATOM 1316 N ILE A 93 22.902 16.693 7.301 1.00 0.00 N ATOM 1317 CA ILE A 93 22.194 16.595 6.027 1.00 0.00 C ATOM 1318 C ILE A 93 21.736 15.163 5.757 1.00 0.00 C ATOM 1319 O ILE A 93 20.573 14.927 5.425 1.00 0.00 O ATOM 1320 CB ILE A 93 23.080 17.075 4.852 1.00 0.00 C ATOM 1321 CG1 ILE A 93 23.574 18.508 5.099 1.00 0.00 C ATOM 1322 CG2 ILE A 93 22.324 16.991 3.531 1.00 0.00 C ATOM 1323 CD1 ILE A 93 22.462 19.528 5.239 1.00 0.00 C ATOM 0 H ILE A 93 23.847 17.068 7.224 1.00 0.00 H new ATOM 0 HA ILE A 93 21.320 17.242 6.101 1.00 0.00 H new ATOM 0 HB ILE A 93 23.946 16.416 4.790 1.00 0.00 H new ATOM 0 HG12 ILE A 93 24.181 18.521 6.004 1.00 0.00 H new ATOM 0 HG13 ILE A 93 24.223 18.804 4.275 1.00 0.00 H new ATOM 0 HG21 ILE A 93 22.968 17.334 2.721 1.00 0.00 H new ATOM 0 HG22 ILE A 93 22.027 15.959 3.347 1.00 0.00 H new ATOM 0 HG23 ILE A 93 21.436 17.621 3.580 1.00 0.00 H new ATOM 0 HD11 ILE A 93 22.893 20.514 5.411 1.00 0.00 H new ATOM 0 HD12 ILE A 93 21.868 19.546 4.325 1.00 0.00 H new ATOM 0 HD13 ILE A 93 21.825 19.258 6.081 1.00 0.00 H new ATOM 1335 N GLY A 94 22.653 14.216 5.922 1.00 0.00 N ATOM 1336 CA GLY A 94 22.341 12.824 5.657 1.00 0.00 C ATOM 1337 C GLY A 94 21.271 12.281 6.578 1.00 0.00 C ATOM 1338 O GLY A 94 20.371 11.561 6.145 1.00 0.00 O ATOM 0 H GLY A 94 23.608 14.388 6.235 1.00 0.00 H new ATOM 0 HA2 GLY A 94 22.012 12.720 4.623 1.00 0.00 H new ATOM 0 HA3 GLY A 94 23.246 12.226 5.765 1.00 0.00 H new ATOM 1342 N ALA A 95 21.363 12.643 7.846 1.00 0.00 N ATOM 1343 CA ALA A 95 20.419 12.173 8.850 1.00 0.00 C ATOM 1344 C ALA A 95 19.027 12.717 8.577 1.00 0.00 C ATOM 1345 O ALA A 95 18.059 11.962 8.490 1.00 0.00 O ATOM 1346 CB ALA A 95 20.880 12.577 10.242 1.00 0.00 C ATOM 0 H ALA A 95 22.086 13.265 8.208 1.00 0.00 H new ATOM 0 HA ALA A 95 20.379 11.085 8.797 1.00 0.00 H new ATOM 0 HB1 ALA A 95 20.164 12.218 10.981 1.00 0.00 H new ATOM 0 HB2 ALA A 95 21.858 12.140 10.443 1.00 0.00 H new ATOM 0 HB3 ALA A 95 20.949 13.663 10.301 1.00 0.00 H new ATOM 1352 N CYS A 96 18.941 14.031 8.415 1.00 0.00 N ATOM 1353 CA CYS A 96 17.663 14.694 8.217 1.00 0.00 C ATOM 1354 C CYS A 96 16.948 14.169 6.974 1.00 0.00 C ATOM 1355 O CYS A 96 15.729 14.018 6.980 1.00 0.00 O ATOM 1356 CB CYS A 96 17.858 16.207 8.116 1.00 0.00 C ATOM 1357 SG CYS A 96 18.560 16.969 9.619 1.00 0.00 S ATOM 0 H CYS A 96 19.745 14.659 8.417 1.00 0.00 H new ATOM 0 HA CYS A 96 17.037 14.474 9.082 1.00 0.00 H new ATOM 0 HB2 CYS A 96 18.513 16.423 7.272 1.00 0.00 H new ATOM 0 HB3 CYS A 96 16.897 16.673 7.900 1.00 0.00 H new ATOM 1362 N LEU A 97 17.706 13.874 5.919 1.00 0.00 N ATOM 1363 CA LEU A 97 17.121 13.345 4.688 1.00 0.00 C ATOM 1364 C LEU A 97 16.567 11.940 4.897 1.00 0.00 C ATOM 1365 O LEU A 97 15.484 11.614 4.417 1.00 0.00 O ATOM 1366 CB LEU A 97 18.140 13.336 3.556 1.00 0.00 C ATOM 1367 CG LEU A 97 17.857 14.335 2.431 1.00 0.00 C ATOM 1368 CD1 LEU A 97 18.882 14.184 1.332 1.00 0.00 C ATOM 1369 CD2 LEU A 97 16.454 14.142 1.869 1.00 0.00 C ATOM 0 H LEU A 97 18.719 13.991 5.891 1.00 0.00 H new ATOM 0 HA LEU A 97 16.298 14.005 4.413 1.00 0.00 H new ATOM 0 HB2 LEU A 97 19.126 13.547 3.971 1.00 0.00 H new ATOM 0 HB3 LEU A 97 18.181 12.333 3.131 1.00 0.00 H new ATOM 0 HG LEU A 97 17.923 15.341 2.845 1.00 0.00 H new ATOM 0 HD11 LEU A 97 18.671 14.899 0.537 1.00 0.00 H new ATOM 0 HD12 LEU A 97 19.877 14.372 1.735 1.00 0.00 H new ATOM 0 HD13 LEU A 97 18.838 13.172 0.930 1.00 0.00 H new ATOM 0 HD21 LEU A 97 16.279 14.864 1.072 1.00 0.00 H new ATOM 0 HD22 LEU A 97 16.357 13.132 1.471 1.00 0.00 H new ATOM 0 HD23 LEU A 97 15.721 14.292 2.662 1.00 0.00 H new ATOM 1381 N ARG A 98 17.302 11.121 5.630 1.00 0.00 N ATOM 1382 CA ARG A 98 16.901 9.752 5.875 1.00 0.00 C ATOM 1383 C ARG A 98 15.601 9.708 6.678 1.00 0.00 C ATOM 1384 O ARG A 98 14.684 8.954 6.353 1.00 0.00 O ATOM 1385 CB ARG A 98 18.022 9.035 6.617 1.00 0.00 C ATOM 1386 CG ARG A 98 17.634 7.683 7.167 1.00 0.00 C ATOM 1387 CD ARG A 98 18.136 7.539 8.585 1.00 0.00 C ATOM 1388 NE ARG A 98 19.594 7.579 8.660 1.00 0.00 N ATOM 1389 CZ ARG A 98 20.271 8.115 9.675 1.00 0.00 C ATOM 1390 NH1 ARG A 98 19.625 8.704 10.678 1.00 0.00 N ATOM 1391 NH2 ARG A 98 21.596 8.082 9.673 1.00 0.00 N ATOM 0 H ARG A 98 18.185 11.386 6.067 1.00 0.00 H new ATOM 0 HA ARG A 98 16.718 9.249 4.925 1.00 0.00 H new ATOM 0 HB2 ARG A 98 18.868 8.911 5.942 1.00 0.00 H new ATOM 0 HB3 ARG A 98 18.360 9.666 7.439 1.00 0.00 H new ATOM 0 HG2 ARG A 98 16.550 7.569 7.143 1.00 0.00 H new ATOM 0 HG3 ARG A 98 18.052 6.893 6.542 1.00 0.00 H new ATOM 0 HD2 ARG A 98 17.720 8.338 9.199 1.00 0.00 H new ATOM 0 HD3 ARG A 98 17.778 6.598 9.002 1.00 0.00 H new ATOM 0 HE ARG A 98 20.125 7.173 7.890 1.00 0.00 H new ATOM 0 HH11 ARG A 98 18.606 8.747 10.673 1.00 0.00 H new ATOM 0 HH12 ARG A 98 20.149 9.112 11.452 1.00 0.00 H new ATOM 0 HH21 ARG A 98 22.094 7.647 8.896 1.00 0.00 H new ATOM 0 HH22 ARG A 98 22.118 8.491 10.448 1.00 0.00 H new ATOM 1405 N GLU A 99 15.527 10.534 7.716 1.00 0.00 N ATOM 1406 CA GLU A 99 14.341 10.594 8.563 1.00 0.00 C ATOM 1407 C GLU A 99 13.148 11.122 7.772 1.00 0.00 C ATOM 1408 O GLU A 99 12.112 10.461 7.671 1.00 0.00 O ATOM 1409 CB GLU A 99 14.579 11.509 9.768 1.00 0.00 C ATOM 1410 CG GLU A 99 15.878 11.253 10.518 1.00 0.00 C ATOM 1411 CD GLU A 99 15.925 9.908 11.210 1.00 0.00 C ATOM 1412 OE1 GLU A 99 15.045 9.632 12.052 1.00 0.00 O ATOM 1413 OE2 GLU A 99 16.872 9.132 10.950 1.00 0.00 O ATOM 0 H GLU A 99 16.274 11.171 7.991 1.00 0.00 H new ATOM 0 HA GLU A 99 14.132 9.583 8.913 1.00 0.00 H new ATOM 0 HB2 GLU A 99 14.571 12.544 9.427 1.00 0.00 H new ATOM 0 HB3 GLU A 99 13.747 11.395 10.462 1.00 0.00 H new ATOM 0 HG2 GLU A 99 16.711 11.321 9.818 1.00 0.00 H new ATOM 0 HG3 GLU A 99 16.020 12.039 11.260 1.00 0.00 H new ATOM 1420 N SER A 100 13.320 12.310 7.195 1.00 0.00 N ATOM 1421 CA SER A 100 12.239 13.016 6.507 1.00 0.00 C ATOM 1422 C SER A 100 11.575 12.154 5.434 1.00 0.00 C ATOM 1423 O SER A 100 10.373 12.280 5.191 1.00 0.00 O ATOM 1424 CB SER A 100 12.765 14.310 5.891 1.00 0.00 C ATOM 1425 OG SER A 100 13.892 14.068 5.078 1.00 0.00 O ATOM 0 H SER A 100 14.209 12.809 7.191 1.00 0.00 H new ATOM 0 HA SER A 100 11.478 13.249 7.252 1.00 0.00 H new ATOM 0 HB2 SER A 100 11.980 14.779 5.298 1.00 0.00 H new ATOM 0 HB3 SER A 100 13.028 15.012 6.683 1.00 0.00 H new ATOM 0 HG SER A 100 14.687 13.971 5.642 1.00 0.00 H new ATOM 1431 N MET A 101 12.357 11.283 4.805 1.00 0.00 N ATOM 1432 CA MET A 101 11.836 10.371 3.791 1.00 0.00 C ATOM 1433 C MET A 101 10.678 9.540 4.334 1.00 0.00 C ATOM 1434 O MET A 101 9.599 9.499 3.738 1.00 0.00 O ATOM 1435 CB MET A 101 12.945 9.450 3.281 1.00 0.00 C ATOM 1436 CG MET A 101 13.851 10.096 2.245 1.00 0.00 C ATOM 1437 SD MET A 101 13.021 10.365 0.666 1.00 0.00 S ATOM 1438 CE MET A 101 12.700 8.677 0.156 1.00 0.00 C ATOM 0 H MET A 101 13.357 11.189 4.980 1.00 0.00 H new ATOM 0 HA MET A 101 11.463 10.974 2.963 1.00 0.00 H new ATOM 0 HB2 MET A 101 13.551 9.123 4.126 1.00 0.00 H new ATOM 0 HB3 MET A 101 12.493 8.557 2.849 1.00 0.00 H new ATOM 0 HG2 MET A 101 14.212 11.050 2.628 1.00 0.00 H new ATOM 0 HG3 MET A 101 14.725 9.464 2.088 1.00 0.00 H new ATOM 0 HE1 MET A 101 12.703 8.619 -0.932 1.00 0.00 H new ATOM 0 HE2 MET A 101 13.474 8.023 0.556 1.00 0.00 H new ATOM 0 HE3 MET A 101 11.728 8.361 0.534 1.00 0.00 H new ATOM 1448 N MET A 102 10.883 8.902 5.479 1.00 0.00 N ATOM 1449 CA MET A 102 9.847 8.047 6.039 1.00 0.00 C ATOM 1450 C MET A 102 8.884 8.856 6.895 1.00 0.00 C ATOM 1451 O MET A 102 7.771 8.417 7.184 1.00 0.00 O ATOM 1452 CB MET A 102 10.444 6.890 6.839 1.00 0.00 C ATOM 1453 CG MET A 102 11.027 7.273 8.186 1.00 0.00 C ATOM 1454 SD MET A 102 11.659 5.834 9.072 1.00 0.00 S ATOM 1455 CE MET A 102 10.230 4.750 9.016 1.00 0.00 C ATOM 0 H MET A 102 11.740 8.958 6.029 1.00 0.00 H new ATOM 0 HA MET A 102 9.290 7.617 5.207 1.00 0.00 H new ATOM 0 HB2 MET A 102 9.669 6.139 6.996 1.00 0.00 H new ATOM 0 HB3 MET A 102 11.226 6.421 6.242 1.00 0.00 H new ATOM 0 HG2 MET A 102 11.831 7.994 8.043 1.00 0.00 H new ATOM 0 HG3 MET A 102 10.262 7.764 8.788 1.00 0.00 H new ATOM 0 HE1 MET A 102 10.234 4.097 9.889 1.00 0.00 H new ATOM 0 HE2 MET A 102 9.319 5.349 9.015 1.00 0.00 H new ATOM 0 HE3 MET A 102 10.267 4.145 8.110 1.00 0.00 H new ATOM 1465 N GLN A 103 9.317 10.041 7.298 1.00 0.00 N ATOM 1466 CA GLN A 103 8.433 10.975 7.989 1.00 0.00 C ATOM 1467 C GLN A 103 7.343 11.470 7.045 1.00 0.00 C ATOM 1468 O GLN A 103 6.261 11.855 7.482 1.00 0.00 O ATOM 1469 CB GLN A 103 9.211 12.173 8.541 1.00 0.00 C ATOM 1470 CG GLN A 103 9.490 12.104 10.039 1.00 0.00 C ATOM 1471 CD GLN A 103 10.350 10.922 10.435 1.00 0.00 C ATOM 1472 OE1 GLN A 103 11.573 11.015 10.463 1.00 0.00 O ATOM 1473 NE2 GLN A 103 9.719 9.809 10.765 1.00 0.00 N ATOM 0 H GLN A 103 10.269 10.380 7.161 1.00 0.00 H new ATOM 0 HA GLN A 103 7.978 10.442 8.824 1.00 0.00 H new ATOM 0 HB2 GLN A 103 10.160 12.251 8.010 1.00 0.00 H new ATOM 0 HB3 GLN A 103 8.651 13.084 8.329 1.00 0.00 H new ATOM 0 HG2 GLN A 103 9.983 13.024 10.352 1.00 0.00 H new ATOM 0 HG3 GLN A 103 8.543 12.051 10.576 1.00 0.00 H new ATOM 0 HE21 GLN A 103 8.700 9.770 10.729 1.00 0.00 H new ATOM 0 HE22 GLN A 103 10.251 8.988 11.056 1.00 0.00 H new ATOM 1482 N ALA A 104 7.638 11.464 5.748 1.00 0.00 N ATOM 1483 CA ALA A 104 6.677 11.897 4.749 1.00 0.00 C ATOM 1484 C ALA A 104 5.574 10.864 4.580 1.00 0.00 C ATOM 1485 O ALA A 104 4.442 11.087 5.001 1.00 0.00 O ATOM 1486 CB ALA A 104 7.370 12.166 3.420 1.00 0.00 C ATOM 0 H ALA A 104 8.536 11.163 5.368 1.00 0.00 H new ATOM 0 HA ALA A 104 6.223 12.826 5.092 1.00 0.00 H new ATOM 0 HB1 ALA A 104 6.633 12.489 2.684 1.00 0.00 H new ATOM 0 HB2 ALA A 104 8.119 12.947 3.552 1.00 0.00 H new ATOM 0 HB3 ALA A 104 7.855 11.254 3.071 1.00 0.00 H new ATOM 1492 N THR A 105 5.926 9.723 3.988 1.00 0.00 N ATOM 1493 CA THR A 105 4.956 8.666 3.697 1.00 0.00 C ATOM 1494 C THR A 105 5.555 7.621 2.751 1.00 0.00 C ATOM 1495 O THR A 105 5.073 6.491 2.668 1.00 0.00 O ATOM 1496 CB THR A 105 3.661 9.234 3.065 1.00 0.00 C ATOM 1497 OG1 THR A 105 2.682 8.199 2.913 1.00 0.00 O ATOM 1498 CG2 THR A 105 3.946 9.870 1.712 1.00 0.00 C ATOM 0 H THR A 105 6.880 9.506 3.699 1.00 0.00 H new ATOM 0 HA THR A 105 4.705 8.198 4.649 1.00 0.00 H new ATOM 0 HB THR A 105 3.273 10.001 3.735 1.00 0.00 H new ATOM 0 HG1 THR A 105 1.869 8.574 2.514 1.00 0.00 H new ATOM 0 HG21 THR A 105 3.019 10.260 1.291 1.00 0.00 H new ATOM 0 HG22 THR A 105 4.660 10.684 1.836 1.00 0.00 H new ATOM 0 HG23 THR A 105 4.363 9.121 1.039 1.00 0.00 H new ATOM 1506 N GLY A 106 6.615 7.996 2.043 1.00 0.00 N ATOM 1507 CA GLY A 106 7.211 7.101 1.073 1.00 0.00 C ATOM 1508 C GLY A 106 8.274 6.202 1.670 1.00 0.00 C ATOM 1509 O GLY A 106 8.952 5.483 0.937 1.00 0.00 O ATOM 0 H GLY A 106 7.071 8.905 2.125 1.00 0.00 H new ATOM 0 HA2 GLY A 106 6.430 6.484 0.628 1.00 0.00 H new ATOM 0 HA3 GLY A 106 7.651 7.689 0.267 1.00 0.00 H new ATOM 1513 N SER A 107 8.413 6.230 3.002 1.00 0.00 N ATOM 1514 CA SER A 107 9.451 5.483 3.693 1.00 0.00 C ATOM 1515 C SER A 107 10.844 5.963 3.277 1.00 0.00 C ATOM 1516 O SER A 107 10.992 6.807 2.391 1.00 0.00 O ATOM 1517 CB SER A 107 9.280 3.989 3.427 1.00 0.00 C ATOM 1518 OG SER A 107 7.990 3.550 3.825 1.00 0.00 O ATOM 0 H SER A 107 7.808 6.771 3.621 1.00 0.00 H new ATOM 0 HA SER A 107 9.354 5.658 4.764 1.00 0.00 H new ATOM 0 HB2 SER A 107 9.427 3.785 2.366 1.00 0.00 H new ATOM 0 HB3 SER A 107 10.043 3.429 3.968 1.00 0.00 H new ATOM 0 HG SER A 107 7.901 2.591 3.644 1.00 0.00 H new ATOM 1524 N VAL A 108 11.865 5.448 3.935 1.00 0.00 N ATOM 1525 CA VAL A 108 13.224 5.808 3.606 1.00 0.00 C ATOM 1526 C VAL A 108 13.842 4.728 2.726 1.00 0.00 C ATOM 1527 O VAL A 108 14.158 3.620 3.171 1.00 0.00 O ATOM 1528 CB VAL A 108 14.073 6.095 4.866 1.00 0.00 C ATOM 1529 CG1 VAL A 108 13.804 5.076 5.958 1.00 0.00 C ATOM 1530 CG2 VAL A 108 15.554 6.159 4.523 1.00 0.00 C ATOM 0 H VAL A 108 11.776 4.779 4.700 1.00 0.00 H new ATOM 0 HA VAL A 108 13.208 6.742 3.044 1.00 0.00 H new ATOM 0 HB VAL A 108 13.777 7.071 5.250 1.00 0.00 H new ATOM 0 HG11 VAL A 108 14.417 5.306 6.830 1.00 0.00 H new ATOM 0 HG12 VAL A 108 12.751 5.110 6.236 1.00 0.00 H new ATOM 0 HG13 VAL A 108 14.051 4.079 5.594 1.00 0.00 H new ATOM 0 HG21 VAL A 108 16.128 6.362 5.427 1.00 0.00 H new ATOM 0 HG22 VAL A 108 15.871 5.206 4.098 1.00 0.00 H new ATOM 0 HG23 VAL A 108 15.725 6.955 3.798 1.00 0.00 H new ATOM 1540 N ASP A 109 13.943 5.074 1.456 1.00 0.00 N ATOM 1541 CA ASP A 109 14.403 4.169 0.409 1.00 0.00 C ATOM 1542 C ASP A 109 15.899 3.858 0.532 1.00 0.00 C ATOM 1543 O ASP A 109 16.620 4.501 1.296 1.00 0.00 O ATOM 1544 CB ASP A 109 14.097 4.789 -0.959 1.00 0.00 C ATOM 1545 CG ASP A 109 14.519 3.904 -2.112 1.00 0.00 C ATOM 1546 OD1 ASP A 109 14.190 2.702 -2.092 1.00 0.00 O ATOM 1547 OD2 ASP A 109 15.204 4.402 -3.021 1.00 0.00 O ATOM 0 H ASP A 109 13.705 6.005 1.114 1.00 0.00 H new ATOM 0 HA ASP A 109 13.873 3.223 0.518 1.00 0.00 H new ATOM 0 HB2 ASP A 109 13.028 4.987 -1.032 1.00 0.00 H new ATOM 0 HB3 ASP A 109 14.606 5.750 -1.039 1.00 0.00 H new ATOM 1552 N ASN A 110 16.353 2.868 -0.227 1.00 0.00 N ATOM 1553 CA ASN A 110 17.748 2.447 -0.199 1.00 0.00 C ATOM 1554 C ASN A 110 18.511 2.986 -1.404 1.00 0.00 C ATOM 1555 O ASN A 110 19.738 3.038 -1.392 1.00 0.00 O ATOM 1556 CB ASN A 110 17.848 0.917 -0.180 1.00 0.00 C ATOM 1557 CG ASN A 110 17.291 0.303 1.088 1.00 0.00 C ATOM 1558 OD1 ASN A 110 18.009 0.121 2.073 1.00 0.00 O ATOM 1559 ND2 ASN A 110 16.009 -0.031 1.074 1.00 0.00 N ATOM 0 H ASN A 110 15.770 2.338 -0.874 1.00 0.00 H new ATOM 0 HA ASN A 110 18.194 2.852 0.709 1.00 0.00 H new ATOM 0 HB2 ASN A 110 17.312 0.513 -1.039 1.00 0.00 H new ATOM 0 HB3 ASN A 110 18.892 0.625 -0.290 1.00 0.00 H new ATOM 0 HD21 ASN A 110 15.583 -0.455 1.898 1.00 0.00 H new ATOM 0 HD22 ASN A 110 15.448 0.136 0.239 1.00 0.00 H new ATOM 1566 N ALA A 111 17.790 3.387 -2.444 1.00 0.00 N ATOM 1567 CA ALA A 111 18.426 3.850 -3.671 1.00 0.00 C ATOM 1568 C ALA A 111 18.404 5.371 -3.767 1.00 0.00 C ATOM 1569 O ALA A 111 19.443 5.996 -3.972 1.00 0.00 O ATOM 1570 CB ALA A 111 17.753 3.231 -4.889 1.00 0.00 C ATOM 0 H ALA A 111 16.770 3.401 -2.463 1.00 0.00 H new ATOM 0 HA ALA A 111 19.468 3.530 -3.647 1.00 0.00 H new ATOM 0 HB1 ALA A 111 18.241 3.588 -5.796 1.00 0.00 H new ATOM 0 HB2 ALA A 111 17.834 2.145 -4.837 1.00 0.00 H new ATOM 0 HB3 ALA A 111 16.701 3.516 -4.907 1.00 0.00 H new ATOM 1576 N PHE A 112 17.223 5.962 -3.610 1.00 0.00 N ATOM 1577 CA PHE A 112 17.068 7.413 -3.689 1.00 0.00 C ATOM 1578 C PHE A 112 17.928 8.106 -2.640 1.00 0.00 C ATOM 1579 O PHE A 112 18.742 8.973 -2.958 1.00 0.00 O ATOM 1580 CB PHE A 112 15.596 7.804 -3.498 1.00 0.00 C ATOM 1581 CG PHE A 112 15.365 9.292 -3.410 1.00 0.00 C ATOM 1582 CD1 PHE A 112 15.179 10.049 -4.556 1.00 0.00 C ATOM 1583 CD2 PHE A 112 15.337 9.934 -2.178 1.00 0.00 C ATOM 1584 CE1 PHE A 112 14.968 11.414 -4.474 1.00 0.00 C ATOM 1585 CE2 PHE A 112 15.128 11.297 -2.093 1.00 0.00 C ATOM 1586 CZ PHE A 112 14.944 12.037 -3.243 1.00 0.00 C ATOM 0 H PHE A 112 16.356 5.457 -3.427 1.00 0.00 H new ATOM 0 HA PHE A 112 17.396 7.736 -4.677 1.00 0.00 H new ATOM 0 HB2 PHE A 112 15.014 7.404 -4.328 1.00 0.00 H new ATOM 0 HB3 PHE A 112 15.220 7.334 -2.589 1.00 0.00 H new ATOM 0 HD1 PHE A 112 15.199 9.568 -5.523 1.00 0.00 H new ATOM 0 HD2 PHE A 112 15.481 9.360 -1.275 1.00 0.00 H new ATOM 0 HE1 PHE A 112 14.822 11.992 -5.374 1.00 0.00 H new ATOM 0 HE2 PHE A 112 15.109 11.782 -1.128 1.00 0.00 H new ATOM 0 HZ PHE A 112 14.781 13.103 -3.180 1.00 0.00 H new ATOM 1596 N THR A 113 17.751 7.697 -1.393 1.00 0.00 N ATOM 1597 CA THR A 113 18.458 8.290 -0.268 1.00 0.00 C ATOM 1598 C THR A 113 19.968 8.059 -0.383 1.00 0.00 C ATOM 1599 O THR A 113 20.770 8.744 0.250 1.00 0.00 O ATOM 1600 CB THR A 113 17.936 7.684 1.044 1.00 0.00 C ATOM 1601 OG1 THR A 113 16.657 7.078 0.805 1.00 0.00 O ATOM 1602 CG2 THR A 113 17.788 8.747 2.120 1.00 0.00 C ATOM 0 H THR A 113 17.113 6.945 -1.132 1.00 0.00 H new ATOM 0 HA THR A 113 18.277 9.365 -0.274 1.00 0.00 H new ATOM 0 HB THR A 113 18.654 6.940 1.390 1.00 0.00 H new ATOM 0 HG1 THR A 113 16.627 6.198 1.235 1.00 0.00 H new ATOM 0 HG21 THR A 113 17.417 8.288 3.036 1.00 0.00 H new ATOM 0 HG22 THR A 113 18.757 9.208 2.312 1.00 0.00 H new ATOM 0 HG23 THR A 113 17.084 9.508 1.785 1.00 0.00 H new ATOM 1610 N ASN A 114 20.336 7.096 -1.215 1.00 0.00 N ATOM 1611 CA ASN A 114 21.731 6.743 -1.434 1.00 0.00 C ATOM 1612 C ASN A 114 22.326 7.570 -2.575 1.00 0.00 C ATOM 1613 O ASN A 114 23.414 8.137 -2.444 1.00 0.00 O ATOM 1614 CB ASN A 114 21.822 5.245 -1.742 1.00 0.00 C ATOM 1615 CG ASN A 114 23.228 4.759 -2.034 1.00 0.00 C ATOM 1616 OD1 ASN A 114 24.212 5.292 -1.521 1.00 0.00 O ATOM 1617 ND2 ASN A 114 23.324 3.730 -2.863 1.00 0.00 N ATOM 0 H ASN A 114 19.677 6.538 -1.757 1.00 0.00 H new ATOM 0 HA ASN A 114 22.307 6.963 -0.535 1.00 0.00 H new ATOM 0 HB2 ASN A 114 21.424 4.686 -0.895 1.00 0.00 H new ATOM 0 HB3 ASN A 114 21.186 5.022 -2.599 1.00 0.00 H new ATOM 0 HD21 ASN A 114 24.240 3.349 -3.099 1.00 0.00 H new ATOM 0 HD22 ASN A 114 22.482 3.319 -3.265 1.00 0.00 H new ATOM 1624 N GLU A 115 21.598 7.652 -3.687 1.00 0.00 N ATOM 1625 CA GLU A 115 22.032 8.386 -4.844 1.00 0.00 C ATOM 1626 C GLU A 115 22.120 9.877 -4.534 1.00 0.00 C ATOM 1627 O GLU A 115 23.166 10.496 -4.725 1.00 0.00 O ATOM 1628 CB GLU A 115 21.045 8.133 -5.981 1.00 0.00 C ATOM 1629 CG GLU A 115 21.519 8.681 -7.295 1.00 0.00 C ATOM 1630 CD GLU A 115 20.575 8.388 -8.447 1.00 0.00 C ATOM 1631 OE1 GLU A 115 20.144 7.224 -8.585 1.00 0.00 O ATOM 1632 OE2 GLU A 115 20.278 9.310 -9.236 1.00 0.00 O ATOM 0 H GLU A 115 20.688 7.204 -3.798 1.00 0.00 H new ATOM 0 HA GLU A 115 23.026 8.050 -5.138 1.00 0.00 H new ATOM 0 HB2 GLU A 115 20.878 7.060 -6.079 1.00 0.00 H new ATOM 0 HB3 GLU A 115 20.085 8.584 -5.730 1.00 0.00 H new ATOM 0 HG2 GLU A 115 21.647 9.760 -7.205 1.00 0.00 H new ATOM 0 HG3 GLU A 115 22.499 8.262 -7.523 1.00 0.00 H new ATOM 1639 N VAL A 116 21.025 10.434 -4.026 1.00 0.00 N ATOM 1640 CA VAL A 116 20.952 11.857 -3.712 1.00 0.00 C ATOM 1641 C VAL A 116 22.082 12.275 -2.775 1.00 0.00 C ATOM 1642 O VAL A 116 22.758 13.271 -3.018 1.00 0.00 O ATOM 1643 CB VAL A 116 19.587 12.226 -3.084 1.00 0.00 C ATOM 1644 CG1 VAL A 116 19.571 13.669 -2.598 1.00 0.00 C ATOM 1645 CG2 VAL A 116 18.467 11.993 -4.085 1.00 0.00 C ATOM 0 H VAL A 116 20.170 9.917 -3.822 1.00 0.00 H new ATOM 0 HA VAL A 116 21.059 12.398 -4.652 1.00 0.00 H new ATOM 0 HB VAL A 116 19.430 11.581 -2.219 1.00 0.00 H new ATOM 0 HG11 VAL A 116 18.598 13.895 -2.162 1.00 0.00 H new ATOM 0 HG12 VAL A 116 20.347 13.808 -1.845 1.00 0.00 H new ATOM 0 HG13 VAL A 116 19.757 14.338 -3.438 1.00 0.00 H new ATOM 0 HG21 VAL A 116 17.512 12.257 -3.630 1.00 0.00 H new ATOM 0 HG22 VAL A 116 18.632 12.612 -4.967 1.00 0.00 H new ATOM 0 HG23 VAL A 116 18.452 10.943 -4.377 1.00 0.00 H new ATOM 1655 N MET A 117 22.304 11.488 -1.725 1.00 0.00 N ATOM 1656 CA MET A 117 23.330 11.779 -0.752 1.00 0.00 C ATOM 1657 C MET A 117 24.701 11.844 -1.412 1.00 0.00 C ATOM 1658 O MET A 117 25.471 12.770 -1.158 1.00 0.00 O ATOM 1659 CB MET A 117 23.296 10.707 0.328 1.00 0.00 C ATOM 1660 CG MET A 117 24.378 10.848 1.371 1.00 0.00 C ATOM 1661 SD MET A 117 23.944 11.931 2.759 1.00 0.00 S ATOM 1662 CE MET A 117 23.842 13.548 1.985 1.00 0.00 C ATOM 0 H MET A 117 21.776 10.637 -1.534 1.00 0.00 H new ATOM 0 HA MET A 117 23.141 12.754 -0.303 1.00 0.00 H new ATOM 0 HB2 MET A 117 22.325 10.735 0.822 1.00 0.00 H new ATOM 0 HB3 MET A 117 23.386 9.728 -0.144 1.00 0.00 H new ATOM 0 HG2 MET A 117 24.622 9.859 1.760 1.00 0.00 H new ATOM 0 HG3 MET A 117 25.279 11.234 0.893 1.00 0.00 H new ATOM 0 HE1 MET A 117 24.130 14.315 2.704 1.00 0.00 H new ATOM 0 HE2 MET A 117 24.514 13.584 1.127 1.00 0.00 H new ATOM 0 HE3 MET A 117 22.820 13.729 1.653 1.00 0.00 H new ATOM 1672 N GLN A 118 24.983 10.879 -2.281 1.00 0.00 N ATOM 1673 CA GLN A 118 26.259 10.832 -2.982 1.00 0.00 C ATOM 1674 C GLN A 118 26.468 12.105 -3.794 1.00 0.00 C ATOM 1675 O GLN A 118 27.527 12.732 -3.731 1.00 0.00 O ATOM 1676 CB GLN A 118 26.320 9.616 -3.906 1.00 0.00 C ATOM 1677 CG GLN A 118 27.692 9.398 -4.523 1.00 0.00 C ATOM 1678 CD GLN A 118 28.737 9.038 -3.486 1.00 0.00 C ATOM 1679 OE1 GLN A 118 29.374 9.910 -2.895 1.00 0.00 O ATOM 1680 NE2 GLN A 118 28.916 7.750 -3.259 1.00 0.00 N ATOM 0 H GLN A 118 24.344 10.119 -2.516 1.00 0.00 H new ATOM 0 HA GLN A 118 27.052 10.751 -2.238 1.00 0.00 H new ATOM 0 HB2 GLN A 118 26.037 8.726 -3.344 1.00 0.00 H new ATOM 0 HB3 GLN A 118 25.586 9.737 -4.703 1.00 0.00 H new ATOM 0 HG2 GLN A 118 27.632 8.603 -5.266 1.00 0.00 H new ATOM 0 HG3 GLN A 118 28.000 10.302 -5.048 1.00 0.00 H new ATOM 0 HE21 GLN A 118 28.366 7.061 -3.772 1.00 0.00 H new ATOM 0 HE22 GLN A 118 29.604 7.444 -2.571 1.00 0.00 H new ATOM 1689 N LEU A 119 25.448 12.486 -4.548 1.00 0.00 N ATOM 1690 CA LEU A 119 25.513 13.679 -5.372 1.00 0.00 C ATOM 1691 C LEU A 119 25.628 14.944 -4.530 1.00 0.00 C ATOM 1692 O LEU A 119 26.418 15.815 -4.854 1.00 0.00 O ATOM 1693 CB LEU A 119 24.310 13.765 -6.309 1.00 0.00 C ATOM 1694 CG LEU A 119 24.458 12.983 -7.616 1.00 0.00 C ATOM 1695 CD1 LEU A 119 24.342 11.487 -7.393 1.00 0.00 C ATOM 1696 CD2 LEU A 119 23.431 13.448 -8.627 1.00 0.00 C ATOM 0 H LEU A 119 24.563 11.983 -4.605 1.00 0.00 H new ATOM 0 HA LEU A 119 26.417 13.602 -5.977 1.00 0.00 H new ATOM 0 HB2 LEU A 119 23.429 13.400 -5.781 1.00 0.00 H new ATOM 0 HB3 LEU A 119 24.127 14.813 -6.547 1.00 0.00 H new ATOM 0 HG LEU A 119 25.456 13.180 -8.007 1.00 0.00 H new ATOM 0 HD11 LEU A 119 24.453 10.968 -8.345 1.00 0.00 H new ATOM 0 HD12 LEU A 119 25.124 11.160 -6.708 1.00 0.00 H new ATOM 0 HD13 LEU A 119 23.366 11.257 -6.966 1.00 0.00 H new ATOM 0 HD21 LEU A 119 23.549 12.883 -9.552 1.00 0.00 H new ATOM 0 HD22 LEU A 119 22.429 13.287 -8.228 1.00 0.00 H new ATOM 0 HD23 LEU A 119 23.575 14.509 -8.830 1.00 0.00 H new ATOM 1708 N VAL A 120 24.860 15.041 -3.447 1.00 0.00 N ATOM 1709 CA VAL A 120 24.939 16.210 -2.565 1.00 0.00 C ATOM 1710 C VAL A 120 26.381 16.448 -2.120 1.00 0.00 C ATOM 1711 O VAL A 120 26.865 17.579 -2.120 1.00 0.00 O ATOM 1712 CB VAL A 120 24.026 16.065 -1.324 1.00 0.00 C ATOM 1713 CG1 VAL A 120 24.256 17.205 -0.340 1.00 0.00 C ATOM 1714 CG2 VAL A 120 22.564 16.027 -1.743 1.00 0.00 C ATOM 0 H VAL A 120 24.183 14.335 -3.159 1.00 0.00 H new ATOM 0 HA VAL A 120 24.589 17.068 -3.139 1.00 0.00 H new ATOM 0 HB VAL A 120 24.279 15.127 -0.829 1.00 0.00 H new ATOM 0 HG11 VAL A 120 23.602 17.079 0.523 1.00 0.00 H new ATOM 0 HG12 VAL A 120 25.295 17.198 -0.011 1.00 0.00 H new ATOM 0 HG13 VAL A 120 24.036 18.155 -0.826 1.00 0.00 H new ATOM 0 HG21 VAL A 120 21.935 15.925 -0.859 1.00 0.00 H new ATOM 0 HG22 VAL A 120 22.311 16.950 -2.264 1.00 0.00 H new ATOM 0 HG23 VAL A 120 22.398 15.179 -2.407 1.00 0.00 H new ATOM 1724 N LYS A 121 27.061 15.370 -1.761 1.00 0.00 N ATOM 1725 CA LYS A 121 28.466 15.418 -1.381 1.00 0.00 C ATOM 1726 C LYS A 121 29.357 15.827 -2.558 1.00 0.00 C ATOM 1727 O LYS A 121 30.168 16.749 -2.454 1.00 0.00 O ATOM 1728 CB LYS A 121 28.885 14.037 -0.872 1.00 0.00 C ATOM 1729 CG LYS A 121 28.174 13.621 0.404 1.00 0.00 C ATOM 1730 CD LYS A 121 27.920 12.118 0.464 1.00 0.00 C ATOM 1731 CE LYS A 121 29.199 11.311 0.291 1.00 0.00 C ATOM 1732 NZ LYS A 121 28.943 9.847 0.357 1.00 0.00 N ATOM 0 H LYS A 121 26.654 14.435 -1.725 1.00 0.00 H new ATOM 0 HA LYS A 121 28.589 16.168 -0.599 1.00 0.00 H new ATOM 0 HB2 LYS A 121 28.686 13.297 -1.647 1.00 0.00 H new ATOM 0 HB3 LYS A 121 29.961 14.034 -0.697 1.00 0.00 H new ATOM 0 HG2 LYS A 121 28.772 13.920 1.264 1.00 0.00 H new ATOM 0 HG3 LYS A 121 27.224 14.151 0.477 1.00 0.00 H new ATOM 0 HD2 LYS A 121 27.461 11.867 1.420 1.00 0.00 H new ATOM 0 HD3 LYS A 121 27.209 11.840 -0.314 1.00 0.00 H new ATOM 0 HE2 LYS A 121 29.657 11.557 -0.667 1.00 0.00 H new ATOM 0 HE3 LYS A 121 29.912 11.590 1.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 29.838 9.332 0.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 28.529 9.608 1.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 28.282 9.576 -0.399 1.00 0.00 H new ATOM 1746 N MET A 122 29.182 15.148 -3.682 1.00 0.00 N ATOM 1747 CA MET A 122 30.077 15.299 -4.829 1.00 0.00 C ATOM 1748 C MET A 122 29.810 16.590 -5.608 1.00 0.00 C ATOM 1749 O MET A 122 30.704 17.119 -6.269 1.00 0.00 O ATOM 1750 CB MET A 122 29.952 14.064 -5.735 1.00 0.00 C ATOM 1751 CG MET A 122 30.798 14.111 -7.002 1.00 0.00 C ATOM 1752 SD MET A 122 29.925 14.839 -8.404 1.00 0.00 S ATOM 1753 CE MET A 122 28.612 13.641 -8.648 1.00 0.00 C ATOM 0 H MET A 122 28.424 14.482 -3.828 1.00 0.00 H new ATOM 0 HA MET A 122 31.099 15.374 -4.459 1.00 0.00 H new ATOM 0 HB2 MET A 122 30.231 13.180 -5.161 1.00 0.00 H new ATOM 0 HB3 MET A 122 28.906 13.943 -6.018 1.00 0.00 H new ATOM 0 HG2 MET A 122 31.704 14.685 -6.807 1.00 0.00 H new ATOM 0 HG3 MET A 122 31.111 13.100 -7.261 1.00 0.00 H new ATOM 0 HE1 MET A 122 28.297 13.654 -9.691 1.00 0.00 H new ATOM 0 HE2 MET A 122 28.975 12.646 -8.391 1.00 0.00 H new ATOM 0 HE3 MET A 122 27.765 13.894 -8.010 1.00 0.00 H new ATOM 1763 N LEU A 123 28.597 17.110 -5.518 1.00 0.00 N ATOM 1764 CA LEU A 123 28.234 18.323 -6.246 1.00 0.00 C ATOM 1765 C LEU A 123 28.531 19.570 -5.419 1.00 0.00 C ATOM 1766 O LEU A 123 28.253 20.689 -5.849 1.00 0.00 O ATOM 1767 CB LEU A 123 26.748 18.305 -6.631 1.00 0.00 C ATOM 1768 CG LEU A 123 26.304 17.164 -7.555 1.00 0.00 C ATOM 1769 CD1 LEU A 123 24.793 17.164 -7.709 1.00 0.00 C ATOM 1770 CD2 LEU A 123 26.963 17.277 -8.921 1.00 0.00 C ATOM 0 H LEU A 123 27.846 16.716 -4.951 1.00 0.00 H new ATOM 0 HA LEU A 123 28.837 18.352 -7.154 1.00 0.00 H new ATOM 0 HB2 LEU A 123 26.157 18.255 -5.716 1.00 0.00 H new ATOM 0 HB3 LEU A 123 26.507 19.252 -7.115 1.00 0.00 H new ATOM 0 HG LEU A 123 26.616 16.225 -7.099 1.00 0.00 H new ATOM 0 HD11 LEU A 123 24.494 16.348 -8.368 1.00 0.00 H new ATOM 0 HD12 LEU A 123 24.328 17.031 -6.732 1.00 0.00 H new ATOM 0 HD13 LEU A 123 24.471 18.113 -8.138 1.00 0.00 H new ATOM 0 HD21 LEU A 123 26.630 16.455 -9.555 1.00 0.00 H new ATOM 0 HD22 LEU A 123 26.686 18.225 -9.381 1.00 0.00 H new ATOM 0 HD23 LEU A 123 28.046 17.231 -8.807 1.00 0.00 H new ATOM 1782 N SER A 124 29.094 19.383 -4.231 1.00 0.00 N ATOM 1783 CA SER A 124 29.408 20.507 -3.368 1.00 0.00 C ATOM 1784 C SER A 124 30.906 20.589 -3.122 1.00 0.00 C ATOM 1785 O SER A 124 31.576 21.513 -3.588 1.00 0.00 O ATOM 1786 CB SER A 124 28.655 20.385 -2.040 1.00 0.00 C ATOM 1787 OG SER A 124 28.890 19.128 -1.430 1.00 0.00 O ATOM 0 H SER A 124 29.340 18.470 -3.849 1.00 0.00 H new ATOM 0 HA SER A 124 29.090 21.423 -3.865 1.00 0.00 H new ATOM 0 HB2 SER A 124 28.969 21.183 -1.367 1.00 0.00 H new ATOM 0 HB3 SER A 124 27.586 20.514 -2.212 1.00 0.00 H new ATOM 0 HG SER A 124 28.098 18.561 -1.534 1.00 0.00 H new ATOM 1793 N ALA A 125 31.431 19.604 -2.412 1.00 0.00 N ATOM 1794 CA ALA A 125 32.832 19.591 -2.047 1.00 0.00 C ATOM 1795 C ALA A 125 33.309 18.180 -1.758 1.00 0.00 C ATOM 1796 O ALA A 125 32.933 17.573 -0.756 1.00 0.00 O ATOM 1797 CB ALA A 125 33.067 20.480 -0.842 1.00 0.00 C ATOM 0 H ALA A 125 30.901 18.799 -2.077 1.00 0.00 H new ATOM 0 HA ALA A 125 33.405 19.976 -2.891 1.00 0.00 H new ATOM 0 HB1 ALA A 125 34.124 20.462 -0.577 1.00 0.00 H new ATOM 0 HB2 ALA A 125 32.770 21.501 -1.080 1.00 0.00 H new ATOM 0 HB3 ALA A 125 32.476 20.117 -0.001 1.00 0.00 H new