USER MOD reduce.3.24.130724 H: found=0, std=0, add=854, rem=0, adj=36 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 63:sc= 2.15 USER MOD Set 1.2: A 121 LYS NZ :NH3+ -159:sc= 0.121 (180deg=-1.61) USER MOD Set 2.1: A 67 ASN : amide:sc= -0.695 K(o=-0.17,f=-1.3) USER MOD Set 2.2: A 68 THR OG1 : rot 11:sc= 0.521 USER MOD Set 3.1: A 46 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 50 GLN : amide:sc= 0.00504 X(o=0.005,f=0.22) USER MOD Set 4.1: A 36 GLN : amide:sc= 0.535 K(o=0.57,f=-6.9!) USER MOD Set 4.2: A 81 SER OG : rot 71:sc= 0.0342 USER MOD Set 5.1: A 18 MET CE :methyl -178:sc= 0 (180deg=-0.00761) USER MOD Set 5.2: A 70 MET CE :methyl -172:sc= -0.0105 (180deg=-0.171) USER MOD Set 6.1: A 16 MET CE :methyl 147:sc= -0.78 (180deg=-3.8) USER MOD Set 6.2: A 19 THR OG1 : rot -6:sc= 0.816 USER MOD Set 6.3: A 48 ASN : amide:sc= 1.14 K(o=1.2,f=-0.065) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0931 USER MOD Single : A 11 ASN : amide:sc= -0.649 K(o=-0.65,f=-6.1!) USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=-0.03) USER MOD Single : A 17 THR OG1 : rot 100:sc= 1.2 USER MOD Single : A 20 ASN : amide:sc= 1.18 K(o=1.2,f=-0.14) USER MOD Single : A 21 ASN : amide:sc= -0.0414 K(o=-0.041,f=-1.4!) USER MOD Single : A 24 GLN : amide:sc= -0.619 K(o=-0.62,f=-1.9!) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot -67:sc= 1.33 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.825 USER MOD Single : A 37 MET CE :methyl -172:sc= -0.934 (180deg=-1.02) USER MOD Single : A 40 MET CE :methyl 166:sc= -0.516 (180deg=-0.985) USER MOD Single : A 42 MET CE :methyl 160:sc= -0.129 (180deg=-0.726) USER MOD Single : A 43 MET CE :methyl -154:sc= -0.357 (180deg=-1.51) USER MOD Single : A 49 SER OG : rot 180:sc= 0.00232 USER MOD Single : A 51 MET CE :methyl 178:sc= -4.33! (180deg=-4.49!) USER MOD Single : A 52 GLN : amide:sc= -0.189 X(o=-0.19,f=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 MET CE :methyl 172:sc= -2.23 (180deg=-2.52) USER MOD Single : A 57 ASN : amide:sc= -0.0137 K(o=-0.014,f=-0.9) USER MOD Single : A 60 GLN : amide:sc= -2 X(o=-2,f=-1.5) USER MOD Single : A 61 HIS : no HD1:sc= -0.0663 X(o=-0.066,f=0) USER MOD Single : A 66 MET CE :methyl -174:sc= -0.346 (180deg=-0.53) USER MOD Single : A 80 THR OG1 : rot 69:sc= 0.599 USER MOD Single : A 84 GLN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 85 SER OG : rot 180:sc= -0.0562 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= 0.0724 X(o=0.072,f=-0.35) USER MOD Single : A 92 THR OG1 : rot 75:sc= 1.24 USER MOD Single : A 100 SER OG : rot 109:sc= 1.24 USER MOD Single : A 101 MET CE :methyl -155:sc= -0.134 (180deg=-0.749) USER MOD Single : A 102 MET CE :methyl -158:sc= -0.524 (180deg=-1.5!) USER MOD Single : A 103 GLN : amide:sc=-0.00531 X(o=-0.0053,f=0) USER MOD Single : A 105 THR OG1 : rot -28:sc= 0.0742 USER MOD Single : A 107 SER OG : rot 10:sc= 0.927 USER MOD Single : A 110 ASN :FLIP amide:sc=-0.00948 F(o=-1.5!,f=-0.0095) USER MOD Single : A 113 THR OG1 : rot -80:sc= 1.15 USER MOD Single : A 114 ASN : amide:sc= -0.0254 X(o=-0.025,f=0) USER MOD Single : A 117 MET CE :methyl 145:sc= -1.8! (180deg=-4.28!) USER MOD Single : A 118 GLN : amide:sc= -0.0269 K(o=-0.027,f=-1.3!) USER MOD Single : A 122 MET CE :methyl 144:sc= -0.67 (180deg=-1.95) USER MOD Single : A 124 SER OG : rot -81:sc= 1.36 USER MOD ----------------------------------------------------------------- ATOM 81 N ILE A 8 8.649 8.351 -3.725 1.00 0.00 N ATOM 82 CA ILE A 8 7.999 9.332 -2.872 1.00 0.00 C ATOM 83 C ILE A 8 7.559 10.549 -3.690 1.00 0.00 C ATOM 84 O ILE A 8 6.868 11.436 -3.196 1.00 0.00 O ATOM 85 CB ILE A 8 8.938 9.758 -1.718 1.00 0.00 C ATOM 86 CG1 ILE A 8 8.196 10.633 -0.705 1.00 0.00 C ATOM 87 CG2 ILE A 8 10.162 10.490 -2.263 1.00 0.00 C ATOM 88 CD1 ILE A 8 8.935 10.791 0.605 1.00 0.00 C ATOM 0 HA ILE A 8 7.111 8.874 -2.437 1.00 0.00 H new ATOM 0 HB ILE A 8 9.275 8.857 -1.206 1.00 0.00 H new ATOM 0 HG12 ILE A 8 8.028 11.618 -1.140 1.00 0.00 H new ATOM 0 HG13 ILE A 8 7.215 10.199 -0.511 1.00 0.00 H new ATOM 0 HG21 ILE A 8 10.810 10.781 -1.436 1.00 0.00 H new ATOM 0 HG22 ILE A 8 10.709 9.832 -2.938 1.00 0.00 H new ATOM 0 HG23 ILE A 8 9.842 11.380 -2.804 1.00 0.00 H new ATOM 0 HD11 ILE A 8 8.354 11.422 1.277 1.00 0.00 H new ATOM 0 HD12 ILE A 8 9.079 9.812 1.062 1.00 0.00 H new ATOM 0 HD13 ILE A 8 9.905 11.253 0.422 1.00 0.00 H new ATOM 100 N TRP A 9 7.944 10.566 -4.961 1.00 0.00 N ATOM 101 CA TRP A 9 7.546 11.641 -5.861 1.00 0.00 C ATOM 102 C TRP A 9 6.220 11.290 -6.526 1.00 0.00 C ATOM 103 O TRP A 9 5.774 11.964 -7.455 1.00 0.00 O ATOM 104 CB TRP A 9 8.614 11.873 -6.932 1.00 0.00 C ATOM 105 CG TRP A 9 9.961 12.259 -6.392 1.00 0.00 C ATOM 106 CD1 TRP A 9 11.050 11.448 -6.246 1.00 0.00 C ATOM 107 CD2 TRP A 9 10.365 13.559 -5.942 1.00 0.00 C ATOM 108 NE1 TRP A 9 12.106 12.162 -5.731 1.00 0.00 N ATOM 109 CE2 TRP A 9 11.708 13.460 -5.534 1.00 0.00 C ATOM 110 CE3 TRP A 9 9.720 14.795 -5.842 1.00 0.00 C ATOM 111 CZ2 TRP A 9 12.416 14.551 -5.037 1.00 0.00 C ATOM 112 CZ3 TRP A 9 10.423 15.876 -5.347 1.00 0.00 C ATOM 113 CH2 TRP A 9 11.759 15.748 -4.949 1.00 0.00 C ATOM 0 H TRP A 9 8.530 9.850 -5.390 1.00 0.00 H new ATOM 0 HA TRP A 9 7.433 12.556 -5.280 1.00 0.00 H new ATOM 0 HB2 TRP A 9 8.720 10.964 -7.524 1.00 0.00 H new ATOM 0 HB3 TRP A 9 8.269 12.656 -7.608 1.00 0.00 H new ATOM 0 HD1 TRP A 9 11.078 10.398 -6.498 1.00 0.00 H new ATOM 0 HE1 TRP A 9 13.033 11.788 -5.529 1.00 0.00 H new ATOM 0 HE3 TRP A 9 8.689 14.903 -6.147 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 13.448 14.456 -4.732 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 9.934 16.836 -5.266 1.00 0.00 H new ATOM 0 HH2 TRP A 9 12.282 16.611 -4.565 1.00 0.00 H new ATOM 124 N THR A 10 5.608 10.219 -6.039 1.00 0.00 N ATOM 125 CA THR A 10 4.350 9.724 -6.565 1.00 0.00 C ATOM 126 C THR A 10 3.224 10.718 -6.303 1.00 0.00 C ATOM 127 O THR A 10 2.324 10.899 -7.127 1.00 0.00 O ATOM 128 CB THR A 10 4.005 8.387 -5.890 1.00 0.00 C ATOM 129 OG1 THR A 10 5.220 7.737 -5.481 1.00 0.00 O ATOM 130 CG2 THR A 10 3.237 7.485 -6.841 1.00 0.00 C ATOM 0 H THR A 10 5.975 9.668 -5.263 1.00 0.00 H new ATOM 0 HA THR A 10 4.456 9.588 -7.641 1.00 0.00 H new ATOM 0 HB THR A 10 3.377 8.583 -5.021 1.00 0.00 H new ATOM 0 HG1 THR A 10 5.005 6.884 -5.048 1.00 0.00 H new ATOM 0 HG21 THR A 10 3.004 6.545 -6.342 1.00 0.00 H new ATOM 0 HG22 THR A 10 2.311 7.976 -7.141 1.00 0.00 H new ATOM 0 HG23 THR A 10 3.844 7.286 -7.724 1.00 0.00 H new ATOM 138 N ASN A 11 3.294 11.354 -5.146 1.00 0.00 N ATOM 139 CA ASN A 11 2.299 12.324 -4.730 1.00 0.00 C ATOM 140 C ASN A 11 2.977 13.576 -4.182 1.00 0.00 C ATOM 141 O ASN A 11 3.922 13.488 -3.394 1.00 0.00 O ATOM 142 CB ASN A 11 1.346 11.722 -3.683 1.00 0.00 C ATOM 143 CG ASN A 11 2.053 11.095 -2.489 1.00 0.00 C ATOM 144 OD1 ASN A 11 3.157 10.561 -2.602 1.00 0.00 O ATOM 145 ND2 ASN A 11 1.415 11.153 -1.333 1.00 0.00 N ATOM 0 H ASN A 11 4.043 11.211 -4.469 1.00 0.00 H new ATOM 0 HA ASN A 11 1.707 12.601 -5.602 1.00 0.00 H new ATOM 0 HB2 ASN A 11 0.675 12.503 -3.326 1.00 0.00 H new ATOM 0 HB3 ASN A 11 0.726 10.965 -4.164 1.00 0.00 H new ATOM 0 HD21 ASN A 11 1.836 10.747 -0.497 1.00 0.00 H new ATOM 0 HD22 ASN A 11 0.502 11.603 -1.277 1.00 0.00 H new ATOM 152 N PRO A 12 2.501 14.760 -4.603 1.00 0.00 N ATOM 153 CA PRO A 12 3.096 16.050 -4.230 1.00 0.00 C ATOM 154 C PRO A 12 3.206 16.245 -2.723 1.00 0.00 C ATOM 155 O PRO A 12 4.202 16.780 -2.230 1.00 0.00 O ATOM 156 CB PRO A 12 2.137 17.092 -4.829 1.00 0.00 C ATOM 157 CG PRO A 12 0.902 16.338 -5.188 1.00 0.00 C ATOM 158 CD PRO A 12 1.348 14.938 -5.492 1.00 0.00 C ATOM 0 HA PRO A 12 4.119 16.128 -4.599 1.00 0.00 H new ATOM 0 HB2 PRO A 12 1.919 17.883 -4.111 1.00 0.00 H new ATOM 0 HB3 PRO A 12 2.574 17.569 -5.706 1.00 0.00 H new ATOM 0 HG2 PRO A 12 0.185 16.350 -4.367 1.00 0.00 H new ATOM 0 HG3 PRO A 12 0.408 16.786 -6.050 1.00 0.00 H new ATOM 0 HD2 PRO A 12 0.563 14.210 -5.286 1.00 0.00 H new ATOM 0 HD3 PRO A 12 1.624 14.821 -6.540 1.00 0.00 H new ATOM 166 N ASN A 13 2.187 15.798 -1.996 1.00 0.00 N ATOM 167 CA ASN A 13 2.149 15.963 -0.548 1.00 0.00 C ATOM 168 C ASN A 13 3.338 15.278 0.118 1.00 0.00 C ATOM 169 O ASN A 13 3.980 15.849 0.996 1.00 0.00 O ATOM 170 CB ASN A 13 0.836 15.415 0.018 1.00 0.00 C ATOM 171 CG ASN A 13 0.801 15.417 1.536 1.00 0.00 C ATOM 172 OD1 ASN A 13 1.137 14.423 2.178 1.00 0.00 O ATOM 173 ND2 ASN A 13 0.399 16.534 2.118 1.00 0.00 N ATOM 0 H ASN A 13 1.376 15.318 -2.387 1.00 0.00 H new ATOM 0 HA ASN A 13 2.209 17.030 -0.331 1.00 0.00 H new ATOM 0 HB2 ASN A 13 0.006 16.012 -0.360 1.00 0.00 H new ATOM 0 HB3 ASN A 13 0.687 14.397 -0.343 1.00 0.00 H new ATOM 0 HD21 ASN A 13 0.359 16.593 3.136 1.00 0.00 H new ATOM 0 HD22 ASN A 13 0.129 17.337 1.549 1.00 0.00 H new ATOM 180 N ALA A 14 3.650 14.069 -0.328 1.00 0.00 N ATOM 181 CA ALA A 14 4.708 13.281 0.287 1.00 0.00 C ATOM 182 C ALA A 14 6.076 13.894 0.020 1.00 0.00 C ATOM 183 O ALA A 14 6.874 14.085 0.942 1.00 0.00 O ATOM 184 CB ALA A 14 4.665 11.853 -0.228 1.00 0.00 C ATOM 0 H ALA A 14 3.185 13.613 -1.113 1.00 0.00 H new ATOM 0 HA ALA A 14 4.543 13.277 1.364 1.00 0.00 H new ATOM 0 HB1 ALA A 14 5.461 11.274 0.239 1.00 0.00 H new ATOM 0 HB2 ALA A 14 3.701 11.407 0.016 1.00 0.00 H new ATOM 0 HB3 ALA A 14 4.802 11.852 -1.309 1.00 0.00 H new ATOM 190 N ALA A 15 6.332 14.209 -1.243 1.00 0.00 N ATOM 191 CA ALA A 15 7.607 14.780 -1.656 1.00 0.00 C ATOM 192 C ALA A 15 7.906 16.068 -0.900 1.00 0.00 C ATOM 193 O ALA A 15 8.938 16.189 -0.240 1.00 0.00 O ATOM 194 CB ALA A 15 7.598 15.034 -3.154 1.00 0.00 C ATOM 0 H ALA A 15 5.667 14.077 -2.005 1.00 0.00 H new ATOM 0 HA ALA A 15 8.395 14.065 -1.419 1.00 0.00 H new ATOM 0 HB1 ALA A 15 8.554 15.461 -3.456 1.00 0.00 H new ATOM 0 HB2 ALA A 15 7.437 14.094 -3.682 1.00 0.00 H new ATOM 0 HB3 ALA A 15 6.796 15.730 -3.400 1.00 0.00 H new ATOM 200 N MET A 16 6.988 17.018 -0.979 1.00 0.00 N ATOM 201 CA MET A 16 7.156 18.301 -0.331 1.00 0.00 C ATOM 202 C MET A 16 7.262 18.174 1.187 1.00 0.00 C ATOM 203 O MET A 16 7.930 18.984 1.828 1.00 0.00 O ATOM 204 CB MET A 16 6.011 19.216 -0.739 1.00 0.00 C ATOM 205 CG MET A 16 6.407 20.217 -1.803 1.00 0.00 C ATOM 206 SD MET A 16 7.746 19.633 -2.860 1.00 0.00 S ATOM 207 CE MET A 16 9.132 20.521 -2.165 1.00 0.00 C ATOM 0 H MET A 16 6.112 16.919 -1.492 1.00 0.00 H new ATOM 0 HA MET A 16 8.100 18.736 -0.660 1.00 0.00 H new ATOM 0 HB2 MET A 16 5.183 18.611 -1.107 1.00 0.00 H new ATOM 0 HB3 MET A 16 5.649 19.751 0.139 1.00 0.00 H new ATOM 0 HG2 MET A 16 5.538 20.445 -2.420 1.00 0.00 H new ATOM 0 HG3 MET A 16 6.710 21.148 -1.323 1.00 0.00 H new ATOM 0 HE1 MET A 16 10.033 19.913 -2.248 1.00 0.00 H new ATOM 0 HE2 MET A 16 9.274 21.456 -2.707 1.00 0.00 H new ATOM 0 HE3 MET A 16 8.936 20.737 -1.115 1.00 0.00 H new ATOM 217 N THR A 17 6.630 17.157 1.759 1.00 0.00 N ATOM 218 CA THR A 17 6.742 16.911 3.193 1.00 0.00 C ATOM 219 C THR A 17 8.193 16.648 3.595 1.00 0.00 C ATOM 220 O THR A 17 8.720 17.295 4.504 1.00 0.00 O ATOM 221 CB THR A 17 5.857 15.727 3.641 1.00 0.00 C ATOM 222 OG1 THR A 17 4.475 16.082 3.528 1.00 0.00 O ATOM 223 CG2 THR A 17 6.166 15.314 5.078 1.00 0.00 C ATOM 0 H THR A 17 6.039 16.494 1.258 1.00 0.00 H new ATOM 0 HA THR A 17 6.391 17.812 3.696 1.00 0.00 H new ATOM 0 HB THR A 17 6.073 14.880 2.990 1.00 0.00 H new ATOM 0 HG1 THR A 17 4.106 15.702 2.704 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.526 14.479 5.362 1.00 0.00 H new ATOM 0 HG22 THR A 17 7.211 15.013 5.153 1.00 0.00 H new ATOM 0 HG23 THR A 17 5.982 16.155 5.746 1.00 0.00 H new ATOM 231 N MET A 18 8.849 15.723 2.901 1.00 0.00 N ATOM 232 CA MET A 18 10.206 15.342 3.269 1.00 0.00 C ATOM 233 C MET A 18 11.202 16.455 2.959 1.00 0.00 C ATOM 234 O MET A 18 12.213 16.596 3.646 1.00 0.00 O ATOM 235 CB MET A 18 10.623 14.013 2.614 1.00 0.00 C ATOM 236 CG MET A 18 10.536 13.968 1.094 1.00 0.00 C ATOM 237 SD MET A 18 11.888 14.826 0.264 1.00 0.00 S ATOM 238 CE MET A 18 11.587 14.340 -1.433 1.00 0.00 C ATOM 0 H MET A 18 8.469 15.230 2.093 1.00 0.00 H new ATOM 0 HA MET A 18 10.215 15.186 4.348 1.00 0.00 H new ATOM 0 HB2 MET A 18 11.649 13.791 2.907 1.00 0.00 H new ATOM 0 HB3 MET A 18 9.997 13.218 3.019 1.00 0.00 H new ATOM 0 HG2 MET A 18 10.525 12.927 0.770 1.00 0.00 H new ATOM 0 HG3 MET A 18 9.590 14.409 0.780 1.00 0.00 H new ATOM 0 HE1 MET A 18 12.361 14.760 -2.075 1.00 0.00 H new ATOM 0 HE2 MET A 18 11.604 13.253 -1.509 1.00 0.00 H new ATOM 0 HE3 MET A 18 10.612 14.711 -1.750 1.00 0.00 H new ATOM 248 N THR A 19 10.900 17.262 1.951 1.00 0.00 N ATOM 249 CA THR A 19 11.759 18.377 1.598 1.00 0.00 C ATOM 250 C THR A 19 11.673 19.484 2.655 1.00 0.00 C ATOM 251 O THR A 19 12.692 20.042 3.064 1.00 0.00 O ATOM 252 CB THR A 19 11.386 18.941 0.216 1.00 0.00 C ATOM 253 OG1 THR A 19 11.316 17.873 -0.736 1.00 0.00 O ATOM 254 CG2 THR A 19 12.404 19.969 -0.250 1.00 0.00 C ATOM 0 H THR A 19 10.069 17.164 1.367 1.00 0.00 H new ATOM 0 HA THR A 19 12.784 18.008 1.558 1.00 0.00 H new ATOM 0 HB THR A 19 10.416 19.431 0.298 1.00 0.00 H new ATOM 0 HG1 THR A 19 11.620 17.041 -0.317 1.00 0.00 H new ATOM 0 HG21 THR A 19 12.114 20.350 -1.229 1.00 0.00 H new ATOM 0 HG22 THR A 19 12.442 20.793 0.463 1.00 0.00 H new ATOM 0 HG23 THR A 19 13.387 19.503 -0.318 1.00 0.00 H new ATOM 262 N ASN A 20 10.459 19.777 3.115 1.00 0.00 N ATOM 263 CA ASN A 20 10.260 20.809 4.128 1.00 0.00 C ATOM 264 C ASN A 20 10.848 20.379 5.463 1.00 0.00 C ATOM 265 O ASN A 20 11.536 21.156 6.126 1.00 0.00 O ATOM 266 CB ASN A 20 8.776 21.137 4.304 1.00 0.00 C ATOM 267 CG ASN A 20 8.263 22.136 3.285 1.00 0.00 C ATOM 268 OD1 ASN A 20 8.322 23.348 3.497 1.00 0.00 O ATOM 269 ND2 ASN A 20 7.734 21.637 2.183 1.00 0.00 N ATOM 0 H ASN A 20 9.603 19.317 2.804 1.00 0.00 H new ATOM 0 HA ASN A 20 10.776 21.705 3.783 1.00 0.00 H new ATOM 0 HB2 ASN A 20 8.195 20.218 4.227 1.00 0.00 H new ATOM 0 HB3 ASN A 20 8.614 21.534 5.306 1.00 0.00 H new ATOM 0 HD21 ASN A 20 7.356 22.262 1.471 1.00 0.00 H new ATOM 0 HD22 ASN A 20 7.704 20.627 2.044 1.00 0.00 H new ATOM 276 N ASN A 21 10.590 19.133 5.846 1.00 0.00 N ATOM 277 CA ASN A 21 11.083 18.612 7.113 1.00 0.00 C ATOM 278 C ASN A 21 12.604 18.550 7.122 1.00 0.00 C ATOM 279 O ASN A 21 13.233 18.660 8.175 1.00 0.00 O ATOM 280 CB ASN A 21 10.488 17.235 7.406 1.00 0.00 C ATOM 281 CG ASN A 21 9.026 17.302 7.804 1.00 0.00 C ATOM 282 OD1 ASN A 21 8.557 18.313 8.322 1.00 0.00 O ATOM 283 ND2 ASN A 21 8.296 16.220 7.577 1.00 0.00 N ATOM 0 H ASN A 21 10.044 18.468 5.298 1.00 0.00 H new ATOM 0 HA ASN A 21 10.765 19.296 7.900 1.00 0.00 H new ATOM 0 HB2 ASN A 21 10.592 16.604 6.523 1.00 0.00 H new ATOM 0 HB3 ASN A 21 11.057 16.761 8.206 1.00 0.00 H new ATOM 0 HD21 ASN A 21 7.309 16.207 7.834 1.00 0.00 H new ATOM 0 HD22 ASN A 21 8.721 15.400 7.145 1.00 0.00 H new ATOM 290 N LEU A 22 13.193 18.386 5.943 1.00 0.00 N ATOM 291 CA LEU A 22 14.640 18.419 5.795 1.00 0.00 C ATOM 292 C LEU A 22 15.165 19.804 6.152 1.00 0.00 C ATOM 293 O LEU A 22 16.103 19.945 6.941 1.00 0.00 O ATOM 294 CB LEU A 22 15.037 18.066 4.359 1.00 0.00 C ATOM 295 CG LEU A 22 16.522 18.230 4.028 1.00 0.00 C ATOM 296 CD1 LEU A 22 17.370 17.257 4.834 1.00 0.00 C ATOM 297 CD2 LEU A 22 16.754 18.040 2.537 1.00 0.00 C ATOM 0 H LEU A 22 12.686 18.228 5.072 1.00 0.00 H new ATOM 0 HA LEU A 22 15.078 17.684 6.470 1.00 0.00 H new ATOM 0 HB2 LEU A 22 14.751 17.032 4.165 1.00 0.00 H new ATOM 0 HB3 LEU A 22 14.459 18.690 3.677 1.00 0.00 H new ATOM 0 HG LEU A 22 16.824 19.241 4.300 1.00 0.00 H new ATOM 0 HD11 LEU A 22 18.421 17.394 4.580 1.00 0.00 H new ATOM 0 HD12 LEU A 22 17.226 17.444 5.898 1.00 0.00 H new ATOM 0 HD13 LEU A 22 17.071 16.235 4.602 1.00 0.00 H new ATOM 0 HD21 LEU A 22 17.815 18.159 2.316 1.00 0.00 H new ATOM 0 HD22 LEU A 22 16.432 17.041 2.243 1.00 0.00 H new ATOM 0 HD23 LEU A 22 16.182 18.783 1.982 1.00 0.00 H new ATOM 309 N VAL A 23 14.532 20.822 5.582 1.00 0.00 N ATOM 310 CA VAL A 23 14.929 22.202 5.814 1.00 0.00 C ATOM 311 C VAL A 23 14.719 22.594 7.272 1.00 0.00 C ATOM 312 O VAL A 23 15.613 23.155 7.901 1.00 0.00 O ATOM 313 CB VAL A 23 14.149 23.178 4.904 1.00 0.00 C ATOM 314 CG1 VAL A 23 14.573 24.619 5.157 1.00 0.00 C ATOM 315 CG2 VAL A 23 14.348 22.816 3.441 1.00 0.00 C ATOM 0 H VAL A 23 13.737 20.715 4.952 1.00 0.00 H new ATOM 0 HA VAL A 23 15.990 22.272 5.573 1.00 0.00 H new ATOM 0 HB VAL A 23 13.090 23.089 5.145 1.00 0.00 H new ATOM 0 HG11 VAL A 23 14.009 25.284 4.504 1.00 0.00 H new ATOM 0 HG12 VAL A 23 14.376 24.879 6.197 1.00 0.00 H new ATOM 0 HG13 VAL A 23 15.638 24.726 4.952 1.00 0.00 H new ATOM 0 HG21 VAL A 23 13.792 23.513 2.815 1.00 0.00 H new ATOM 0 HG22 VAL A 23 15.408 22.872 3.193 1.00 0.00 H new ATOM 0 HG23 VAL A 23 13.987 21.803 3.265 1.00 0.00 H new ATOM 325 N GLN A 24 13.547 22.276 7.816 1.00 0.00 N ATOM 326 CA GLN A 24 13.231 22.649 9.191 1.00 0.00 C ATOM 327 C GLN A 24 14.167 21.933 10.169 1.00 0.00 C ATOM 328 O GLN A 24 14.512 22.472 11.218 1.00 0.00 O ATOM 329 CB GLN A 24 11.750 22.362 9.509 1.00 0.00 C ATOM 330 CG GLN A 24 11.400 20.890 9.686 1.00 0.00 C ATOM 331 CD GLN A 24 11.548 20.415 11.121 1.00 0.00 C ATOM 332 OE1 GLN A 24 11.353 21.182 12.062 1.00 0.00 O ATOM 333 NE2 GLN A 24 11.905 19.154 11.298 1.00 0.00 N ATOM 0 H GLN A 24 12.808 21.766 7.332 1.00 0.00 H new ATOM 0 HA GLN A 24 13.388 23.722 9.306 1.00 0.00 H new ATOM 0 HB2 GLN A 24 11.480 22.896 10.420 1.00 0.00 H new ATOM 0 HB3 GLN A 24 11.136 22.771 8.707 1.00 0.00 H new ATOM 0 HG2 GLN A 24 10.374 20.724 9.358 1.00 0.00 H new ATOM 0 HG3 GLN A 24 12.042 20.289 9.042 1.00 0.00 H new ATOM 0 HE21 GLN A 24 12.057 18.549 10.491 1.00 0.00 H new ATOM 0 HE22 GLN A 24 12.028 18.786 12.241 1.00 0.00 H new ATOM 342 N CYS A 25 14.595 20.729 9.796 1.00 0.00 N ATOM 343 CA CYS A 25 15.515 19.949 10.615 1.00 0.00 C ATOM 344 C CYS A 25 16.878 20.633 10.674 1.00 0.00 C ATOM 345 O CYS A 25 17.447 20.818 11.749 1.00 0.00 O ATOM 346 CB CYS A 25 15.654 18.530 10.050 1.00 0.00 C ATOM 347 SG CYS A 25 16.588 17.377 11.112 1.00 0.00 S ATOM 0 H CYS A 25 14.317 20.272 8.927 1.00 0.00 H new ATOM 0 HA CYS A 25 15.115 19.883 11.627 1.00 0.00 H new ATOM 0 HB2 CYS A 25 14.658 18.121 9.881 1.00 0.00 H new ATOM 0 HB3 CYS A 25 16.145 18.587 9.078 1.00 0.00 H new ATOM 352 N ALA A 26 17.383 21.037 9.512 1.00 0.00 N ATOM 353 CA ALA A 26 18.671 21.713 9.432 1.00 0.00 C ATOM 354 C ALA A 26 18.584 23.118 10.015 1.00 0.00 C ATOM 355 O ALA A 26 19.553 23.630 10.572 1.00 0.00 O ATOM 356 CB ALA A 26 19.155 21.762 7.991 1.00 0.00 C ATOM 0 H ALA A 26 16.919 20.907 8.613 1.00 0.00 H new ATOM 0 HA ALA A 26 19.391 21.146 10.022 1.00 0.00 H new ATOM 0 HB1 ALA A 26 20.118 22.270 7.948 1.00 0.00 H new ATOM 0 HB2 ALA A 26 19.263 20.747 7.609 1.00 0.00 H new ATOM 0 HB3 ALA A 26 18.431 22.304 7.382 1.00 0.00 H new ATOM 362 N SER A 27 17.411 23.728 9.904 1.00 0.00 N ATOM 363 CA SER A 27 17.179 25.062 10.441 1.00 0.00 C ATOM 364 C SER A 27 17.240 25.054 11.967 1.00 0.00 C ATOM 365 O SER A 27 17.452 26.089 12.598 1.00 0.00 O ATOM 366 CB SER A 27 15.813 25.579 9.986 1.00 0.00 C ATOM 367 OG SER A 27 15.597 26.915 10.409 1.00 0.00 O ATOM 0 H SER A 27 16.600 23.316 9.443 1.00 0.00 H new ATOM 0 HA SER A 27 17.962 25.720 10.065 1.00 0.00 H new ATOM 0 HB2 SER A 27 15.745 25.525 8.899 1.00 0.00 H new ATOM 0 HB3 SER A 27 15.028 24.938 10.387 1.00 0.00 H new ATOM 0 HG SER A 27 14.717 27.217 10.102 1.00 0.00 H new ATOM 373 N ARG A 28 17.040 23.886 12.553 1.00 0.00 N ATOM 374 CA ARG A 28 17.039 23.755 13.998 1.00 0.00 C ATOM 375 C ARG A 28 18.242 22.950 14.469 1.00 0.00 C ATOM 376 O ARG A 28 18.311 22.547 15.627 1.00 0.00 O ATOM 377 CB ARG A 28 15.743 23.093 14.465 1.00 0.00 C ATOM 378 CG ARG A 28 14.491 23.874 14.101 1.00 0.00 C ATOM 379 CD ARG A 28 14.517 25.283 14.672 1.00 0.00 C ATOM 380 NE ARG A 28 13.326 26.047 14.302 1.00 0.00 N ATOM 381 CZ ARG A 28 13.331 27.354 14.033 1.00 0.00 C ATOM 382 NH1 ARG A 28 14.468 28.044 14.084 1.00 0.00 N ATOM 383 NH2 ARG A 28 12.200 27.973 13.720 1.00 0.00 N ATOM 0 H ARG A 28 16.876 23.015 12.049 1.00 0.00 H new ATOM 0 HA ARG A 28 17.104 24.752 14.434 1.00 0.00 H new ATOM 0 HB2 ARG A 28 15.678 22.096 14.030 1.00 0.00 H new ATOM 0 HB3 ARG A 28 15.780 22.967 15.547 1.00 0.00 H new ATOM 0 HG2 ARG A 28 14.396 23.923 13.016 1.00 0.00 H new ATOM 0 HG3 ARG A 28 13.613 23.347 14.474 1.00 0.00 H new ATOM 0 HD2 ARG A 28 14.592 25.232 15.758 1.00 0.00 H new ATOM 0 HD3 ARG A 28 15.406 25.802 14.315 1.00 0.00 H new ATOM 0 HE ARG A 28 12.437 25.550 14.246 1.00 0.00 H new ATOM 0 HH11 ARG A 28 15.339 27.574 14.329 1.00 0.00 H new ATOM 0 HH12 ARG A 28 14.468 29.043 13.878 1.00 0.00 H new ATOM 0 HH21 ARG A 28 11.325 27.450 13.685 1.00 0.00 H new ATOM 0 HH22 ARG A 28 12.205 28.972 13.515 1.00 0.00 H new ATOM 397 N SER A 29 19.189 22.720 13.571 1.00 0.00 N ATOM 398 CA SER A 29 20.382 21.960 13.910 1.00 0.00 C ATOM 399 C SER A 29 21.335 22.812 14.742 1.00 0.00 C ATOM 400 O SER A 29 21.863 22.367 15.761 1.00 0.00 O ATOM 401 CB SER A 29 21.090 21.474 12.640 1.00 0.00 C ATOM 402 OG SER A 29 21.562 22.567 11.865 1.00 0.00 O ATOM 0 H SER A 29 19.154 23.048 12.606 1.00 0.00 H new ATOM 0 HA SER A 29 20.079 21.092 14.496 1.00 0.00 H new ATOM 0 HB2 SER A 29 21.926 20.829 12.911 1.00 0.00 H new ATOM 0 HB3 SER A 29 20.403 20.873 12.045 1.00 0.00 H new ATOM 0 HG SER A 29 20.799 23.066 11.505 1.00 0.00 H new ATOM 408 N GLY A 30 21.540 24.048 14.302 1.00 0.00 N ATOM 409 CA GLY A 30 22.497 24.922 14.947 1.00 0.00 C ATOM 410 C GLY A 30 23.896 24.698 14.413 1.00 0.00 C ATOM 411 O GLY A 30 24.862 25.287 14.895 1.00 0.00 O ATOM 0 H GLY A 30 21.056 24.461 13.505 1.00 0.00 H new ATOM 0 HA2 GLY A 30 22.208 25.961 14.789 1.00 0.00 H new ATOM 0 HA3 GLY A 30 22.484 24.748 16.023 1.00 0.00 H new ATOM 415 N VAL A 31 23.992 23.834 13.409 1.00 0.00 N ATOM 416 CA VAL A 31 25.270 23.484 12.806 1.00 0.00 C ATOM 417 C VAL A 31 25.551 24.368 11.597 1.00 0.00 C ATOM 418 O VAL A 31 26.675 24.830 11.394 1.00 0.00 O ATOM 419 CB VAL A 31 25.287 22.004 12.363 1.00 0.00 C ATOM 420 CG1 VAL A 31 26.648 21.625 11.802 1.00 0.00 C ATOM 421 CG2 VAL A 31 24.907 21.088 13.519 1.00 0.00 C ATOM 0 H VAL A 31 23.191 23.360 12.993 1.00 0.00 H new ATOM 0 HA VAL A 31 26.042 23.639 13.559 1.00 0.00 H new ATOM 0 HB VAL A 31 24.546 21.879 11.573 1.00 0.00 H new ATOM 0 HG11 VAL A 31 26.637 20.579 11.496 1.00 0.00 H new ATOM 0 HG12 VAL A 31 26.874 22.253 10.940 1.00 0.00 H new ATOM 0 HG13 VAL A 31 27.411 21.772 12.567 1.00 0.00 H new ATOM 0 HG21 VAL A 31 24.926 20.051 13.183 1.00 0.00 H new ATOM 0 HG22 VAL A 31 25.618 21.218 14.335 1.00 0.00 H new ATOM 0 HG23 VAL A 31 23.905 21.338 13.867 1.00 0.00 H new ATOM 431 N LEU A 32 24.517 24.606 10.805 1.00 0.00 N ATOM 432 CA LEU A 32 24.647 25.400 9.593 1.00 0.00 C ATOM 433 C LEU A 32 24.569 26.885 9.920 1.00 0.00 C ATOM 434 O LEU A 32 24.032 27.272 10.960 1.00 0.00 O ATOM 435 CB LEU A 32 23.559 25.034 8.576 1.00 0.00 C ATOM 436 CG LEU A 32 23.699 23.661 7.903 1.00 0.00 C ATOM 437 CD1 LEU A 32 23.387 22.529 8.870 1.00 0.00 C ATOM 438 CD2 LEU A 32 22.798 23.580 6.683 1.00 0.00 C ATOM 0 H LEU A 32 23.574 24.259 10.981 1.00 0.00 H new ATOM 0 HA LEU A 32 25.620 25.182 9.153 1.00 0.00 H new ATOM 0 HB2 LEU A 32 22.592 25.073 9.078 1.00 0.00 H new ATOM 0 HB3 LEU A 32 23.545 25.798 7.798 1.00 0.00 H new ATOM 0 HG LEU A 32 24.736 23.548 7.587 1.00 0.00 H new ATOM 0 HD11 LEU A 32 23.497 21.573 8.358 1.00 0.00 H new ATOM 0 HD12 LEU A 32 24.076 22.570 9.713 1.00 0.00 H new ATOM 0 HD13 LEU A 32 22.364 22.632 9.232 1.00 0.00 H new ATOM 0 HD21 LEU A 32 22.907 22.602 6.215 1.00 0.00 H new ATOM 0 HD22 LEU A 32 21.761 23.724 6.986 1.00 0.00 H new ATOM 0 HD23 LEU A 32 23.079 24.356 5.971 1.00 0.00 H new ATOM 450 N THR A 33 25.108 27.708 9.033 1.00 0.00 N ATOM 451 CA THR A 33 25.103 29.148 9.223 1.00 0.00 C ATOM 452 C THR A 33 23.728 29.724 8.908 1.00 0.00 C ATOM 453 O THR A 33 22.873 29.041 8.336 1.00 0.00 O ATOM 454 CB THR A 33 26.163 29.837 8.333 1.00 0.00 C ATOM 455 OG1 THR A 33 25.810 29.718 6.946 1.00 0.00 O ATOM 456 CG2 THR A 33 27.531 29.217 8.547 1.00 0.00 C ATOM 0 H THR A 33 25.556 27.399 8.170 1.00 0.00 H new ATOM 0 HA THR A 33 25.347 29.340 10.268 1.00 0.00 H new ATOM 0 HB THR A 33 26.196 30.890 8.613 1.00 0.00 H new ATOM 0 HG1 THR A 33 26.490 30.161 6.396 1.00 0.00 H new ATOM 0 HG21 THR A 33 28.261 29.717 7.911 1.00 0.00 H new ATOM 0 HG22 THR A 33 27.822 29.330 9.591 1.00 0.00 H new ATOM 0 HG23 THR A 33 27.494 28.158 8.293 1.00 0.00 H new ATOM 464 N ALA A 34 23.520 30.984 9.269 1.00 0.00 N ATOM 465 CA ALA A 34 22.260 31.655 8.994 1.00 0.00 C ATOM 466 C ALA A 34 22.056 31.798 7.490 1.00 0.00 C ATOM 467 O ALA A 34 20.929 31.895 7.006 1.00 0.00 O ATOM 468 CB ALA A 34 22.224 33.013 9.679 1.00 0.00 C ATOM 0 H ALA A 34 24.209 31.560 9.753 1.00 0.00 H new ATOM 0 HA ALA A 34 21.445 31.052 9.393 1.00 0.00 H new ATOM 0 HB1 ALA A 34 21.275 33.504 9.464 1.00 0.00 H new ATOM 0 HB2 ALA A 34 22.328 32.880 10.756 1.00 0.00 H new ATOM 0 HB3 ALA A 34 23.043 33.629 9.308 1.00 0.00 H new ATOM 474 N ASP A 35 23.163 31.793 6.758 1.00 0.00 N ATOM 475 CA ASP A 35 23.120 31.875 5.307 1.00 0.00 C ATOM 476 C ASP A 35 22.802 30.504 4.727 1.00 0.00 C ATOM 477 O ASP A 35 21.891 30.359 3.915 1.00 0.00 O ATOM 478 CB ASP A 35 24.458 32.366 4.750 1.00 0.00 C ATOM 479 CG ASP A 35 25.013 33.555 5.501 1.00 0.00 C ATOM 480 OD1 ASP A 35 24.537 34.688 5.281 1.00 0.00 O ATOM 481 OD2 ASP A 35 25.934 33.361 6.326 1.00 0.00 O ATOM 0 H ASP A 35 24.103 31.733 7.149 1.00 0.00 H new ATOM 0 HA ASP A 35 22.343 32.586 5.024 1.00 0.00 H new ATOM 0 HB2 ASP A 35 25.181 31.551 4.787 1.00 0.00 H new ATOM 0 HB3 ASP A 35 24.332 32.633 3.701 1.00 0.00 H new ATOM 486 N GLN A 36 23.553 29.498 5.180 1.00 0.00 N ATOM 487 CA GLN A 36 23.379 28.115 4.730 1.00 0.00 C ATOM 488 C GLN A 36 21.929 27.652 4.865 1.00 0.00 C ATOM 489 O GLN A 36 21.381 27.028 3.955 1.00 0.00 O ATOM 490 CB GLN A 36 24.292 27.186 5.536 1.00 0.00 C ATOM 491 CG GLN A 36 25.669 26.986 4.928 1.00 0.00 C ATOM 492 CD GLN A 36 26.584 26.184 5.833 1.00 0.00 C ATOM 493 OE1 GLN A 36 26.495 26.271 7.057 1.00 0.00 O ATOM 494 NE2 GLN A 36 27.445 25.372 5.243 1.00 0.00 N ATOM 0 H GLN A 36 24.297 29.618 5.867 1.00 0.00 H new ATOM 0 HA GLN A 36 23.647 28.075 3.674 1.00 0.00 H new ATOM 0 HB2 GLN A 36 24.406 27.590 6.542 1.00 0.00 H new ATOM 0 HB3 GLN A 36 23.807 26.215 5.636 1.00 0.00 H new ATOM 0 HG2 GLN A 36 25.571 26.476 3.970 1.00 0.00 H new ATOM 0 HG3 GLN A 36 26.120 27.958 4.727 1.00 0.00 H new ATOM 0 HE21 GLN A 36 27.489 25.328 4.225 1.00 0.00 H new ATOM 0 HE22 GLN A 36 28.065 24.790 5.806 1.00 0.00 H new ATOM 503 N MET A 37 21.311 27.965 5.999 1.00 0.00 N ATOM 504 CA MET A 37 19.932 27.556 6.252 1.00 0.00 C ATOM 505 C MET A 37 18.966 28.251 5.296 1.00 0.00 C ATOM 506 O MET A 37 17.980 27.656 4.858 1.00 0.00 O ATOM 507 CB MET A 37 19.535 27.851 7.703 1.00 0.00 C ATOM 508 CG MET A 37 20.297 27.019 8.723 1.00 0.00 C ATOM 509 SD MET A 37 19.778 27.333 10.422 1.00 0.00 S ATOM 510 CE MET A 37 20.247 29.051 10.620 1.00 0.00 C ATOM 0 H MET A 37 21.740 28.498 6.755 1.00 0.00 H new ATOM 0 HA MET A 37 19.871 26.481 6.082 1.00 0.00 H new ATOM 0 HB2 MET A 37 19.704 28.908 7.910 1.00 0.00 H new ATOM 0 HB3 MET A 37 18.467 27.669 7.823 1.00 0.00 H new ATOM 0 HG2 MET A 37 20.159 25.962 8.497 1.00 0.00 H new ATOM 0 HG3 MET A 37 21.363 27.228 8.630 1.00 0.00 H new ATOM 0 HE1 MET A 37 20.120 29.345 11.662 1.00 0.00 H new ATOM 0 HE2 MET A 37 21.290 29.179 10.332 1.00 0.00 H new ATOM 0 HE3 MET A 37 19.617 29.676 9.987 1.00 0.00 H new ATOM 520 N ASP A 38 19.265 29.500 4.957 1.00 0.00 N ATOM 521 CA ASP A 38 18.396 30.280 4.076 1.00 0.00 C ATOM 522 C ASP A 38 18.515 29.789 2.639 1.00 0.00 C ATOM 523 O ASP A 38 17.532 29.781 1.892 1.00 0.00 O ATOM 524 CB ASP A 38 18.735 31.766 4.161 1.00 0.00 C ATOM 525 CG ASP A 38 17.790 32.628 3.347 1.00 0.00 C ATOM 526 OD1 ASP A 38 16.583 32.673 3.669 1.00 0.00 O ATOM 527 OD2 ASP A 38 18.252 33.280 2.392 1.00 0.00 O ATOM 0 H ASP A 38 20.098 29.995 5.276 1.00 0.00 H new ATOM 0 HA ASP A 38 17.366 30.144 4.405 1.00 0.00 H new ATOM 0 HB2 ASP A 38 18.703 32.083 5.203 1.00 0.00 H new ATOM 0 HB3 ASP A 38 19.756 31.922 3.812 1.00 0.00 H new ATOM 532 N ASP A 39 19.719 29.364 2.261 1.00 0.00 N ATOM 533 CA ASP A 39 19.938 28.751 0.951 1.00 0.00 C ATOM 534 C ASP A 39 19.066 27.512 0.801 1.00 0.00 C ATOM 535 O ASP A 39 18.502 27.256 -0.263 1.00 0.00 O ATOM 536 CB ASP A 39 21.402 28.350 0.753 1.00 0.00 C ATOM 537 CG ASP A 39 22.325 29.518 0.466 1.00 0.00 C ATOM 538 OD1 ASP A 39 22.234 30.098 -0.637 1.00 0.00 O ATOM 539 OD2 ASP A 39 23.179 29.828 1.320 1.00 0.00 O ATOM 0 H ASP A 39 20.556 29.432 2.840 1.00 0.00 H new ATOM 0 HA ASP A 39 19.674 29.493 0.197 1.00 0.00 H new ATOM 0 HB2 ASP A 39 21.752 27.835 1.648 1.00 0.00 H new ATOM 0 HB3 ASP A 39 21.466 27.638 -0.070 1.00 0.00 H new ATOM 544 N MET A 40 18.949 26.748 1.881 1.00 0.00 N ATOM 545 CA MET A 40 18.131 25.541 1.876 1.00 0.00 C ATOM 546 C MET A 40 16.654 25.896 1.803 1.00 0.00 C ATOM 547 O MET A 40 15.864 25.178 1.190 1.00 0.00 O ATOM 548 CB MET A 40 18.399 24.688 3.117 1.00 0.00 C ATOM 549 CG MET A 40 19.801 24.108 3.174 1.00 0.00 C ATOM 550 SD MET A 40 20.035 22.985 4.565 1.00 0.00 S ATOM 551 CE MET A 40 18.828 21.713 4.191 1.00 0.00 C ATOM 0 H MET A 40 19.410 26.943 2.770 1.00 0.00 H new ATOM 0 HA MET A 40 18.401 24.961 0.993 1.00 0.00 H new ATOM 0 HB2 MET A 40 18.231 25.295 4.006 1.00 0.00 H new ATOM 0 HB3 MET A 40 17.677 23.872 3.148 1.00 0.00 H new ATOM 0 HG2 MET A 40 20.008 23.577 2.245 1.00 0.00 H new ATOM 0 HG3 MET A 40 20.523 24.921 3.244 1.00 0.00 H new ATOM 0 HE1 MET A 40 19.019 20.837 4.811 1.00 0.00 H new ATOM 0 HE2 MET A 40 17.826 22.091 4.395 1.00 0.00 H new ATOM 0 HE3 MET A 40 18.904 21.437 3.139 1.00 0.00 H new ATOM 561 N GLY A 41 16.290 27.011 2.427 1.00 0.00 N ATOM 562 CA GLY A 41 14.916 27.471 2.389 1.00 0.00 C ATOM 563 C GLY A 41 14.444 27.753 0.977 1.00 0.00 C ATOM 564 O GLY A 41 13.386 27.280 0.561 1.00 0.00 O ATOM 0 H GLY A 41 16.925 27.605 2.960 1.00 0.00 H new ATOM 0 HA2 GLY A 41 14.270 26.719 2.842 1.00 0.00 H new ATOM 0 HA3 GLY A 41 14.821 28.376 2.989 1.00 0.00 H new ATOM 568 N MET A 42 15.245 28.502 0.226 1.00 0.00 N ATOM 569 CA MET A 42 14.900 28.846 -1.151 1.00 0.00 C ATOM 570 C MET A 42 15.033 27.624 -2.058 1.00 0.00 C ATOM 571 O MET A 42 14.406 27.547 -3.113 1.00 0.00 O ATOM 572 CB MET A 42 15.776 29.993 -1.661 1.00 0.00 C ATOM 573 CG MET A 42 17.241 29.626 -1.817 1.00 0.00 C ATOM 574 SD MET A 42 18.268 31.021 -2.316 1.00 0.00 S ATOM 575 CE MET A 42 18.094 32.102 -0.896 1.00 0.00 C ATOM 0 H MET A 42 16.136 28.882 0.546 1.00 0.00 H new ATOM 0 HA MET A 42 13.862 29.178 -1.169 1.00 0.00 H new ATOM 0 HB2 MET A 42 15.392 30.330 -2.624 1.00 0.00 H new ATOM 0 HB3 MET A 42 15.694 30.834 -0.972 1.00 0.00 H new ATOM 0 HG2 MET A 42 17.613 29.228 -0.873 1.00 0.00 H new ATOM 0 HG3 MET A 42 17.334 28.831 -2.557 1.00 0.00 H new ATOM 0 HE1 MET A 42 18.917 32.817 -0.880 1.00 0.00 H new ATOM 0 HE2 MET A 42 17.148 32.639 -0.961 1.00 0.00 H new ATOM 0 HE3 MET A 42 18.112 31.508 0.018 1.00 0.00 H new ATOM 585 N MET A 43 15.849 26.665 -1.629 1.00 0.00 N ATOM 586 CA MET A 43 16.009 25.411 -2.353 1.00 0.00 C ATOM 587 C MET A 43 14.688 24.646 -2.359 1.00 0.00 C ATOM 588 O MET A 43 14.273 24.118 -3.391 1.00 0.00 O ATOM 589 CB MET A 43 17.130 24.580 -1.708 1.00 0.00 C ATOM 590 CG MET A 43 17.377 23.223 -2.358 1.00 0.00 C ATOM 591 SD MET A 43 16.201 21.951 -1.850 1.00 0.00 S ATOM 592 CE MET A 43 16.458 21.910 -0.075 1.00 0.00 C ATOM 0 H MET A 43 16.411 26.735 -0.780 1.00 0.00 H new ATOM 0 HA MET A 43 16.288 25.616 -3.387 1.00 0.00 H new ATOM 0 HB2 MET A 43 18.055 25.156 -1.741 1.00 0.00 H new ATOM 0 HB3 MET A 43 16.888 24.425 -0.657 1.00 0.00 H new ATOM 0 HG2 MET A 43 17.332 23.335 -3.441 1.00 0.00 H new ATOM 0 HG3 MET A 43 18.386 22.891 -2.114 1.00 0.00 H new ATOM 0 HE1 MET A 43 16.187 20.927 0.309 1.00 0.00 H new ATOM 0 HE2 MET A 43 17.507 22.109 0.145 1.00 0.00 H new ATOM 0 HE3 MET A 43 15.837 22.669 0.400 1.00 0.00 H new ATOM 602 N ALA A 44 14.018 24.626 -1.210 1.00 0.00 N ATOM 603 CA ALA A 44 12.738 23.941 -1.073 1.00 0.00 C ATOM 604 C ALA A 44 11.690 24.559 -1.992 1.00 0.00 C ATOM 605 O ALA A 44 10.851 23.854 -2.555 1.00 0.00 O ATOM 606 CB ALA A 44 12.270 23.975 0.373 1.00 0.00 C ATOM 0 H ALA A 44 14.344 25.079 -0.356 1.00 0.00 H new ATOM 0 HA ALA A 44 12.874 22.901 -1.368 1.00 0.00 H new ATOM 0 HB1 ALA A 44 11.313 23.460 0.458 1.00 0.00 H new ATOM 0 HB2 ALA A 44 13.007 23.480 1.006 1.00 0.00 H new ATOM 0 HB3 ALA A 44 12.154 25.010 0.694 1.00 0.00 H new ATOM 612 N ASP A 45 11.746 25.878 -2.148 1.00 0.00 N ATOM 613 CA ASP A 45 10.853 26.578 -3.066 1.00 0.00 C ATOM 614 C ASP A 45 11.106 26.124 -4.497 1.00 0.00 C ATOM 615 O ASP A 45 10.171 25.903 -5.268 1.00 0.00 O ATOM 616 CB ASP A 45 11.036 28.096 -2.968 1.00 0.00 C ATOM 617 CG ASP A 45 10.469 28.678 -1.689 1.00 0.00 C ATOM 618 OD1 ASP A 45 9.226 28.712 -1.545 1.00 0.00 O ATOM 619 OD2 ASP A 45 11.255 29.127 -0.830 1.00 0.00 O ATOM 0 H ASP A 45 12.400 26.483 -1.651 1.00 0.00 H new ATOM 0 HA ASP A 45 9.829 26.335 -2.784 1.00 0.00 H new ATOM 0 HB2 ASP A 45 12.098 28.333 -3.029 1.00 0.00 H new ATOM 0 HB3 ASP A 45 10.553 28.571 -3.822 1.00 0.00 H new ATOM 624 N SER A 46 12.380 25.973 -4.839 1.00 0.00 N ATOM 625 CA SER A 46 12.772 25.509 -6.163 1.00 0.00 C ATOM 626 C SER A 46 12.239 24.098 -6.417 1.00 0.00 C ATOM 627 O SER A 46 11.728 23.802 -7.497 1.00 0.00 O ATOM 628 CB SER A 46 14.299 25.540 -6.300 1.00 0.00 C ATOM 629 OG SER A 46 14.710 25.128 -7.590 1.00 0.00 O ATOM 0 H SER A 46 13.162 26.166 -4.214 1.00 0.00 H new ATOM 0 HA SER A 46 12.340 26.176 -6.909 1.00 0.00 H new ATOM 0 HB2 SER A 46 14.663 26.549 -6.105 1.00 0.00 H new ATOM 0 HB3 SER A 46 14.747 24.889 -5.549 1.00 0.00 H new ATOM 0 HG SER A 46 15.688 25.159 -7.647 1.00 0.00 H new ATOM 635 N VAL A 47 12.344 23.235 -5.411 1.00 0.00 N ATOM 636 CA VAL A 47 11.841 21.870 -5.525 1.00 0.00 C ATOM 637 C VAL A 47 10.321 21.866 -5.669 1.00 0.00 C ATOM 638 O VAL A 47 9.771 21.083 -6.440 1.00 0.00 O ATOM 639 CB VAL A 47 12.245 21.002 -4.312 1.00 0.00 C ATOM 640 CG1 VAL A 47 11.718 19.580 -4.467 1.00 0.00 C ATOM 641 CG2 VAL A 47 13.756 20.992 -4.141 1.00 0.00 C ATOM 0 H VAL A 47 12.771 23.455 -4.511 1.00 0.00 H new ATOM 0 HA VAL A 47 12.293 21.439 -6.418 1.00 0.00 H new ATOM 0 HB VAL A 47 11.799 21.438 -3.418 1.00 0.00 H new ATOM 0 HG11 VAL A 47 12.014 18.986 -3.602 1.00 0.00 H new ATOM 0 HG12 VAL A 47 10.631 19.601 -4.538 1.00 0.00 H new ATOM 0 HG13 VAL A 47 12.132 19.135 -5.372 1.00 0.00 H new ATOM 0 HG21 VAL A 47 14.021 20.376 -3.282 1.00 0.00 H new ATOM 0 HG22 VAL A 47 14.221 20.583 -5.038 1.00 0.00 H new ATOM 0 HG23 VAL A 47 14.111 22.010 -3.980 1.00 0.00 H new ATOM 651 N ASN A 48 9.654 22.756 -4.934 1.00 0.00 N ATOM 652 CA ASN A 48 8.201 22.910 -5.025 1.00 0.00 C ATOM 653 C ASN A 48 7.753 23.050 -6.475 1.00 0.00 C ATOM 654 O ASN A 48 6.896 22.302 -6.944 1.00 0.00 O ATOM 655 CB ASN A 48 7.731 24.139 -4.238 1.00 0.00 C ATOM 656 CG ASN A 48 7.251 23.805 -2.841 1.00 0.00 C ATOM 657 OD1 ASN A 48 6.072 23.521 -2.629 1.00 0.00 O ATOM 658 ND2 ASN A 48 8.151 23.857 -1.874 1.00 0.00 N ATOM 0 H ASN A 48 10.099 23.385 -4.265 1.00 0.00 H new ATOM 0 HA ASN A 48 7.755 22.012 -4.597 1.00 0.00 H new ATOM 0 HB2 ASN A 48 8.550 24.855 -4.172 1.00 0.00 H new ATOM 0 HB3 ASN A 48 6.924 24.626 -4.786 1.00 0.00 H new ATOM 0 HD21 ASN A 48 7.878 23.658 -0.912 1.00 0.00 H new ATOM 0 HD22 ASN A 48 9.119 24.096 -2.090 1.00 0.00 H new ATOM 665 N SER A 49 8.337 24.007 -7.178 1.00 0.00 N ATOM 666 CA SER A 49 7.998 24.267 -8.555 1.00 0.00 C ATOM 667 C SER A 49 8.326 23.073 -9.453 1.00 0.00 C ATOM 668 O SER A 49 7.543 22.713 -10.334 1.00 0.00 O ATOM 669 CB SER A 49 8.766 25.500 -9.000 1.00 0.00 C ATOM 670 OG SER A 49 8.602 26.550 -8.063 1.00 0.00 O ATOM 0 H SER A 49 9.059 24.622 -6.803 1.00 0.00 H new ATOM 0 HA SER A 49 6.924 24.435 -8.639 1.00 0.00 H new ATOM 0 HB2 SER A 49 9.824 25.259 -9.104 1.00 0.00 H new ATOM 0 HB3 SER A 49 8.414 25.821 -9.980 1.00 0.00 H new ATOM 0 HG SER A 49 9.104 27.337 -8.362 1.00 0.00 H new ATOM 676 N GLN A 50 9.472 22.450 -9.211 1.00 0.00 N ATOM 677 CA GLN A 50 9.940 21.357 -10.056 1.00 0.00 C ATOM 678 C GLN A 50 9.130 20.080 -9.829 1.00 0.00 C ATOM 679 O GLN A 50 8.924 19.295 -10.753 1.00 0.00 O ATOM 680 CB GLN A 50 11.429 21.108 -9.820 1.00 0.00 C ATOM 681 CG GLN A 50 12.301 22.269 -10.272 1.00 0.00 C ATOM 682 CD GLN A 50 13.780 22.004 -10.093 1.00 0.00 C ATOM 683 OE1 GLN A 50 14.430 21.457 -10.983 1.00 0.00 O ATOM 684 NE2 GLN A 50 14.328 22.414 -8.963 1.00 0.00 N ATOM 0 H GLN A 50 10.095 22.682 -8.437 1.00 0.00 H new ATOM 0 HA GLN A 50 9.794 21.650 -11.096 1.00 0.00 H new ATOM 0 HB2 GLN A 50 11.598 20.925 -8.759 1.00 0.00 H new ATOM 0 HB3 GLN A 50 11.730 20.205 -10.351 1.00 0.00 H new ATOM 0 HG2 GLN A 50 12.100 22.479 -11.322 1.00 0.00 H new ATOM 0 HG3 GLN A 50 12.027 23.162 -9.710 1.00 0.00 H new ATOM 0 HE21 GLN A 50 13.753 22.863 -8.251 1.00 0.00 H new ATOM 0 HE22 GLN A 50 15.327 22.281 -8.803 1.00 0.00 H new ATOM 693 N MET A 51 8.671 19.876 -8.606 1.00 0.00 N ATOM 694 CA MET A 51 7.821 18.739 -8.289 1.00 0.00 C ATOM 695 C MET A 51 6.427 18.933 -8.882 1.00 0.00 C ATOM 696 O MET A 51 5.849 18.008 -9.453 1.00 0.00 O ATOM 697 CB MET A 51 7.759 18.548 -6.765 1.00 0.00 C ATOM 698 CG MET A 51 6.783 17.473 -6.298 1.00 0.00 C ATOM 699 SD MET A 51 5.097 18.086 -6.118 1.00 0.00 S ATOM 700 CE MET A 51 5.283 19.217 -4.738 1.00 0.00 C ATOM 0 H MET A 51 8.873 20.485 -7.813 1.00 0.00 H new ATOM 0 HA MET A 51 8.245 17.838 -8.732 1.00 0.00 H new ATOM 0 HB2 MET A 51 8.756 18.297 -6.403 1.00 0.00 H new ATOM 0 HB3 MET A 51 7.482 19.496 -6.304 1.00 0.00 H new ATOM 0 HG2 MET A 51 6.790 16.648 -7.011 1.00 0.00 H new ATOM 0 HG3 MET A 51 7.122 17.072 -5.343 1.00 0.00 H new ATOM 0 HE1 MET A 51 4.328 19.701 -4.533 1.00 0.00 H new ATOM 0 HE2 MET A 51 5.607 18.665 -3.856 1.00 0.00 H new ATOM 0 HE3 MET A 51 6.027 19.974 -4.986 1.00 0.00 H new ATOM 710 N GLN A 52 5.907 20.152 -8.779 1.00 0.00 N ATOM 711 CA GLN A 52 4.568 20.454 -9.279 1.00 0.00 C ATOM 712 C GLN A 52 4.520 20.424 -10.804 1.00 0.00 C ATOM 713 O GLN A 52 3.494 20.070 -11.387 1.00 0.00 O ATOM 714 CB GLN A 52 4.092 21.811 -8.764 1.00 0.00 C ATOM 715 CG GLN A 52 3.855 21.835 -7.262 1.00 0.00 C ATOM 716 CD GLN A 52 3.422 23.197 -6.762 1.00 0.00 C ATOM 717 OE1 GLN A 52 2.230 23.502 -6.706 1.00 0.00 O ATOM 718 NE2 GLN A 52 4.385 24.026 -6.401 1.00 0.00 N ATOM 0 H GLN A 52 6.389 20.945 -8.356 1.00 0.00 H new ATOM 0 HA GLN A 52 3.898 19.680 -8.905 1.00 0.00 H new ATOM 0 HB2 GLN A 52 4.832 22.569 -9.020 1.00 0.00 H new ATOM 0 HB3 GLN A 52 3.168 22.082 -9.275 1.00 0.00 H new ATOM 0 HG2 GLN A 52 3.093 21.099 -7.007 1.00 0.00 H new ATOM 0 HG3 GLN A 52 4.770 21.538 -6.749 1.00 0.00 H new ATOM 0 HE21 GLN A 52 5.360 23.733 -6.463 1.00 0.00 H new ATOM 0 HE22 GLN A 52 4.154 24.959 -6.060 1.00 0.00 H new ATOM 727 N LYS A 53 5.627 20.787 -11.451 1.00 0.00 N ATOM 728 CA LYS A 53 5.695 20.757 -12.909 1.00 0.00 C ATOM 729 C LYS A 53 5.752 19.317 -13.409 1.00 0.00 C ATOM 730 O LYS A 53 5.543 19.048 -14.591 1.00 0.00 O ATOM 731 CB LYS A 53 6.912 21.528 -13.424 1.00 0.00 C ATOM 732 CG LYS A 53 8.229 20.798 -13.239 1.00 0.00 C ATOM 733 CD LYS A 53 9.380 21.576 -13.842 1.00 0.00 C ATOM 734 CE LYS A 53 10.697 20.830 -13.689 1.00 0.00 C ATOM 735 NZ LYS A 53 11.844 21.581 -14.270 1.00 0.00 N ATOM 0 H LYS A 53 6.482 21.103 -10.992 1.00 0.00 H new ATOM 0 HA LYS A 53 4.795 21.237 -13.292 1.00 0.00 H new ATOM 0 HB2 LYS A 53 6.772 21.741 -14.484 1.00 0.00 H new ATOM 0 HB3 LYS A 53 6.965 22.488 -12.910 1.00 0.00 H new ATOM 0 HG2 LYS A 53 8.412 20.638 -12.176 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.170 19.814 -13.704 1.00 0.00 H new ATOM 0 HD2 LYS A 53 9.184 21.758 -14.899 1.00 0.00 H new ATOM 0 HD3 LYS A 53 9.454 22.551 -13.360 1.00 0.00 H new ATOM 0 HE2 LYS A 53 10.886 20.644 -12.632 1.00 0.00 H new ATOM 0 HE3 LYS A 53 10.619 19.857 -14.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 12.719 21.033 -14.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 11.679 21.736 -15.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 11.937 22.499 -13.790 1.00 0.00 H new ATOM 749 N MET A 54 6.058 18.401 -12.499 1.00 0.00 N ATOM 750 CA MET A 54 6.146 16.989 -12.829 1.00 0.00 C ATOM 751 C MET A 54 4.757 16.361 -12.827 1.00 0.00 C ATOM 752 O MET A 54 4.414 15.596 -13.729 1.00 0.00 O ATOM 753 CB MET A 54 7.077 16.282 -11.842 1.00 0.00 C ATOM 754 CG MET A 54 7.169 14.783 -12.048 1.00 0.00 C ATOM 755 SD MET A 54 8.603 14.055 -11.231 1.00 0.00 S ATOM 756 CE MET A 54 8.335 14.561 -9.534 1.00 0.00 C ATOM 0 H MET A 54 6.250 18.616 -11.521 1.00 0.00 H new ATOM 0 HA MET A 54 6.562 16.877 -13.830 1.00 0.00 H new ATOM 0 HB2 MET A 54 8.075 16.712 -11.927 1.00 0.00 H new ATOM 0 HB3 MET A 54 6.731 16.479 -10.827 1.00 0.00 H new ATOM 0 HG2 MET A 54 6.262 14.312 -11.669 1.00 0.00 H new ATOM 0 HG3 MET A 54 7.217 14.569 -13.116 1.00 0.00 H new ATOM 0 HE1 MET A 54 9.061 14.068 -8.888 1.00 0.00 H new ATOM 0 HE2 MET A 54 8.453 15.642 -9.454 1.00 0.00 H new ATOM 0 HE3 MET A 54 7.327 14.282 -9.226 1.00 0.00 H new ATOM 766 N GLY A 55 3.962 16.693 -11.816 1.00 0.00 N ATOM 767 CA GLY A 55 2.580 16.262 -11.783 1.00 0.00 C ATOM 768 C GLY A 55 2.407 14.811 -11.363 1.00 0.00 C ATOM 769 O GLY A 55 3.378 14.132 -11.031 1.00 0.00 O ATOM 0 H GLY A 55 4.253 17.255 -11.016 1.00 0.00 H new ATOM 0 HA2 GLY A 55 2.025 16.900 -11.095 1.00 0.00 H new ATOM 0 HA3 GLY A 55 2.141 16.401 -12.771 1.00 0.00 H new ATOM 773 N PRO A 56 1.158 14.321 -11.368 1.00 0.00 N ATOM 774 CA PRO A 56 0.832 12.941 -10.995 1.00 0.00 C ATOM 775 C PRO A 56 1.257 11.935 -12.059 1.00 0.00 C ATOM 776 O PRO A 56 1.324 12.267 -13.246 1.00 0.00 O ATOM 777 CB PRO A 56 -0.692 12.964 -10.859 1.00 0.00 C ATOM 778 CG PRO A 56 -1.134 14.055 -11.774 1.00 0.00 C ATOM 779 CD PRO A 56 -0.042 15.090 -11.742 1.00 0.00 C ATOM 0 HA PRO A 56 1.351 12.630 -10.089 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -1.130 12.007 -11.142 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -0.995 13.161 -9.831 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -1.285 13.679 -12.786 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -2.083 14.479 -11.446 1.00 0.00 H new ATOM 0 HD2 PRO A 56 0.079 15.574 -12.711 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -0.256 15.876 -11.017 1.00 0.00 H new ATOM 787 N ASN A 57 1.533 10.708 -11.617 1.00 0.00 N ATOM 788 CA ASN A 57 1.972 9.627 -12.505 1.00 0.00 C ATOM 789 C ASN A 57 3.156 10.064 -13.369 1.00 0.00 C ATOM 790 O ASN A 57 3.046 10.160 -14.595 1.00 0.00 O ATOM 791 CB ASN A 57 0.818 9.145 -13.391 1.00 0.00 C ATOM 792 CG ASN A 57 -0.257 8.409 -12.611 1.00 0.00 C ATOM 793 OD1 ASN A 57 0.017 7.764 -11.595 1.00 0.00 O ATOM 794 ND2 ASN A 57 -1.492 8.496 -13.082 1.00 0.00 N ATOM 0 H ASN A 57 1.460 10.434 -10.637 1.00 0.00 H new ATOM 0 HA ASN A 57 2.297 8.798 -11.876 1.00 0.00 H new ATOM 0 HB2 ASN A 57 0.372 10.002 -13.896 1.00 0.00 H new ATOM 0 HB3 ASN A 57 1.212 8.488 -14.166 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -2.256 8.020 -12.602 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -1.679 9.039 -13.925 1.00 0.00 H new ATOM 801 N PRO A 58 4.304 10.350 -12.737 1.00 0.00 N ATOM 802 CA PRO A 58 5.488 10.840 -13.433 1.00 0.00 C ATOM 803 C PRO A 58 6.242 9.731 -14.160 1.00 0.00 C ATOM 804 O PRO A 58 6.558 8.691 -13.571 1.00 0.00 O ATOM 805 CB PRO A 58 6.362 11.421 -12.310 1.00 0.00 C ATOM 806 CG PRO A 58 5.557 11.311 -11.055 1.00 0.00 C ATOM 807 CD PRO A 58 4.547 10.231 -11.299 1.00 0.00 C ATOM 0 HA PRO A 58 5.223 11.563 -14.205 1.00 0.00 H new ATOM 0 HB2 PRO A 58 7.298 10.870 -12.221 1.00 0.00 H new ATOM 0 HB3 PRO A 58 6.621 12.459 -12.516 1.00 0.00 H new ATOM 0 HG2 PRO A 58 6.193 11.064 -10.205 1.00 0.00 H new ATOM 0 HG3 PRO A 58 5.067 12.257 -10.823 1.00 0.00 H new ATOM 0 HD2 PRO A 58 4.932 9.247 -11.032 1.00 0.00 H new ATOM 0 HD3 PRO A 58 3.637 10.386 -10.719 1.00 0.00 H new ATOM 815 N PRO A 59 6.535 9.933 -15.456 1.00 0.00 N ATOM 816 CA PRO A 59 7.365 9.009 -16.228 1.00 0.00 C ATOM 817 C PRO A 59 8.801 8.970 -15.698 1.00 0.00 C ATOM 818 O PRO A 59 9.229 9.877 -14.981 1.00 0.00 O ATOM 819 CB PRO A 59 7.321 9.576 -17.652 1.00 0.00 C ATOM 820 CG PRO A 59 6.928 11.003 -17.492 1.00 0.00 C ATOM 821 CD PRO A 59 6.059 11.065 -16.271 1.00 0.00 C ATOM 0 HA PRO A 59 7.005 7.982 -16.170 1.00 0.00 H new ATOM 0 HB2 PRO A 59 8.291 9.487 -18.141 1.00 0.00 H new ATOM 0 HB3 PRO A 59 6.602 9.036 -18.269 1.00 0.00 H new ATOM 0 HG2 PRO A 59 7.807 11.638 -17.377 1.00 0.00 H new ATOM 0 HG3 PRO A 59 6.390 11.359 -18.371 1.00 0.00 H new ATOM 0 HD2 PRO A 59 6.171 12.014 -15.746 1.00 0.00 H new ATOM 0 HD3 PRO A 59 5.004 10.963 -16.523 1.00 0.00 H new ATOM 829 N GLN A 60 9.541 7.938 -16.083 1.00 0.00 N ATOM 830 CA GLN A 60 10.860 7.654 -15.512 1.00 0.00 C ATOM 831 C GLN A 60 11.811 8.845 -15.634 1.00 0.00 C ATOM 832 O GLN A 60 12.546 9.161 -14.695 1.00 0.00 O ATOM 833 CB GLN A 60 11.490 6.422 -16.183 1.00 0.00 C ATOM 834 CG GLN A 60 10.783 5.098 -15.895 1.00 0.00 C ATOM 835 CD GLN A 60 9.416 4.983 -16.546 1.00 0.00 C ATOM 836 OE1 GLN A 60 9.293 4.557 -17.692 1.00 0.00 O ATOM 837 NE2 GLN A 60 8.376 5.344 -15.813 1.00 0.00 N ATOM 0 H GLN A 60 9.248 7.273 -16.799 1.00 0.00 H new ATOM 0 HA GLN A 60 10.706 7.453 -14.452 1.00 0.00 H new ATOM 0 HB2 GLN A 60 11.505 6.582 -17.261 1.00 0.00 H new ATOM 0 HB3 GLN A 60 12.527 6.341 -15.859 1.00 0.00 H new ATOM 0 HG2 GLN A 60 11.411 4.278 -16.242 1.00 0.00 H new ATOM 0 HG3 GLN A 60 10.673 4.982 -14.817 1.00 0.00 H new ATOM 0 HE21 GLN A 60 8.517 5.693 -14.865 1.00 0.00 H new ATOM 0 HE22 GLN A 60 7.433 5.273 -16.196 1.00 0.00 H new ATOM 846 N HIS A 61 11.779 9.520 -16.777 1.00 0.00 N ATOM 847 CA HIS A 61 12.694 10.632 -17.037 1.00 0.00 C ATOM 848 C HIS A 61 12.393 11.840 -16.145 1.00 0.00 C ATOM 849 O HIS A 61 13.182 12.776 -16.069 1.00 0.00 O ATOM 850 CB HIS A 61 12.667 11.039 -18.521 1.00 0.00 C ATOM 851 CG HIS A 61 11.350 11.573 -19.009 1.00 0.00 C ATOM 852 ND1 HIS A 61 10.472 10.835 -19.776 1.00 0.00 N ATOM 853 CD2 HIS A 61 10.776 12.789 -18.857 1.00 0.00 C ATOM 854 CE1 HIS A 61 9.420 11.573 -20.070 1.00 0.00 C ATOM 855 NE2 HIS A 61 9.580 12.763 -19.528 1.00 0.00 N ATOM 0 H HIS A 61 11.132 9.319 -17.539 1.00 0.00 H new ATOM 0 HA HIS A 61 13.697 10.282 -16.793 1.00 0.00 H new ATOM 0 HB2 HIS A 61 13.433 11.796 -18.689 1.00 0.00 H new ATOM 0 HB3 HIS A 61 12.937 10.173 -19.125 1.00 0.00 H new ATOM 0 HD2 HIS A 61 11.184 13.625 -18.309 1.00 0.00 H new ATOM 0 HE1 HIS A 61 8.570 11.256 -20.656 1.00 0.00 H new ATOM 0 HE2 HIS A 61 8.921 13.539 -19.596 1.00 0.00 H new ATOM 863 N ARG A 62 11.252 11.819 -15.470 1.00 0.00 N ATOM 864 CA ARG A 62 10.888 12.906 -14.575 1.00 0.00 C ATOM 865 C ARG A 62 11.545 12.722 -13.213 1.00 0.00 C ATOM 866 O ARG A 62 12.134 13.655 -12.672 1.00 0.00 O ATOM 867 CB ARG A 62 9.370 13.001 -14.430 1.00 0.00 C ATOM 868 CG ARG A 62 8.679 13.610 -15.638 1.00 0.00 C ATOM 869 CD ARG A 62 8.989 15.092 -15.770 1.00 0.00 C ATOM 870 NE ARG A 62 8.260 15.710 -16.875 1.00 0.00 N ATOM 871 CZ ARG A 62 7.921 16.999 -16.915 1.00 0.00 C ATOM 872 NH1 ARG A 62 8.231 17.800 -15.902 1.00 0.00 N ATOM 873 NH2 ARG A 62 7.269 17.489 -17.963 1.00 0.00 N ATOM 0 H ARG A 62 10.567 11.065 -15.525 1.00 0.00 H new ATOM 0 HA ARG A 62 11.249 13.839 -15.007 1.00 0.00 H new ATOM 0 HB2 ARG A 62 8.967 12.003 -14.257 1.00 0.00 H new ATOM 0 HB3 ARG A 62 9.135 13.597 -13.549 1.00 0.00 H new ATOM 0 HG2 ARG A 62 8.997 13.089 -16.541 1.00 0.00 H new ATOM 0 HG3 ARG A 62 7.602 13.469 -15.551 1.00 0.00 H new ATOM 0 HD2 ARG A 62 8.734 15.599 -14.840 1.00 0.00 H new ATOM 0 HD3 ARG A 62 10.060 15.226 -15.923 1.00 0.00 H new ATOM 0 HE ARG A 62 7.994 15.120 -17.663 1.00 0.00 H new ATOM 0 HH11 ARG A 62 8.729 17.429 -15.093 1.00 0.00 H new ATOM 0 HH12 ARG A 62 7.971 18.786 -15.933 1.00 0.00 H new ATOM 0 HH21 ARG A 62 7.025 16.879 -18.743 1.00 0.00 H new ATOM 0 HH22 ARG A 62 7.012 18.476 -17.988 1.00 0.00 H new ATOM 887 N LEU A 63 11.471 11.507 -12.677 1.00 0.00 N ATOM 888 CA LEU A 63 12.063 11.208 -11.373 1.00 0.00 C ATOM 889 C LEU A 63 13.580 11.360 -11.444 1.00 0.00 C ATOM 890 O LEU A 63 14.225 11.787 -10.483 1.00 0.00 O ATOM 891 CB LEU A 63 11.722 9.779 -10.912 1.00 0.00 C ATOM 892 CG LEU A 63 10.239 9.471 -10.650 1.00 0.00 C ATOM 893 CD1 LEU A 63 9.562 10.631 -9.944 1.00 0.00 C ATOM 894 CD2 LEU A 63 9.511 9.122 -11.936 1.00 0.00 C ATOM 0 H LEU A 63 11.009 10.714 -13.123 1.00 0.00 H new ATOM 0 HA LEU A 63 11.648 11.912 -10.652 1.00 0.00 H new ATOM 0 HB2 LEU A 63 12.085 9.082 -11.668 1.00 0.00 H new ATOM 0 HB3 LEU A 63 12.278 9.575 -9.997 1.00 0.00 H new ATOM 0 HG LEU A 63 10.193 8.600 -9.996 1.00 0.00 H new ATOM 0 HD11 LEU A 63 8.514 10.389 -9.770 1.00 0.00 H new ATOM 0 HD12 LEU A 63 10.056 10.814 -8.990 1.00 0.00 H new ATOM 0 HD13 LEU A 63 9.630 11.524 -10.565 1.00 0.00 H new ATOM 0 HD21 LEU A 63 8.465 8.910 -11.716 1.00 0.00 H new ATOM 0 HD22 LEU A 63 9.573 9.962 -12.628 1.00 0.00 H new ATOM 0 HD23 LEU A 63 9.972 8.244 -12.388 1.00 0.00 H new ATOM 906 N ARG A 64 14.133 11.023 -12.605 1.00 0.00 N ATOM 907 CA ARG A 64 15.575 11.065 -12.824 1.00 0.00 C ATOM 908 C ARG A 64 16.116 12.489 -12.774 1.00 0.00 C ATOM 909 O ARG A 64 17.292 12.702 -12.495 1.00 0.00 O ATOM 910 CB ARG A 64 15.927 10.414 -14.152 1.00 0.00 C ATOM 911 CG ARG A 64 15.807 8.905 -14.108 1.00 0.00 C ATOM 912 CD ARG A 64 16.206 8.279 -15.425 1.00 0.00 C ATOM 913 NE ARG A 64 17.588 8.597 -15.794 1.00 0.00 N ATOM 914 CZ ARG A 64 18.387 7.779 -16.478 1.00 0.00 C ATOM 915 NH1 ARG A 64 17.962 6.577 -16.848 1.00 0.00 N ATOM 916 NH2 ARG A 64 19.616 8.169 -16.788 1.00 0.00 N ATOM 0 H ARG A 64 13.598 10.715 -13.417 1.00 0.00 H new ATOM 0 HA ARG A 64 16.046 10.506 -12.015 1.00 0.00 H new ATOM 0 HB2 ARG A 64 15.271 10.805 -14.930 1.00 0.00 H new ATOM 0 HB3 ARG A 64 16.946 10.686 -14.428 1.00 0.00 H new ATOM 0 HG2 ARG A 64 16.438 8.512 -13.311 1.00 0.00 H new ATOM 0 HG3 ARG A 64 14.781 8.627 -13.868 1.00 0.00 H new ATOM 0 HD2 ARG A 64 16.089 7.197 -15.361 1.00 0.00 H new ATOM 0 HD3 ARG A 64 15.533 8.627 -16.209 1.00 0.00 H new ATOM 0 HE ARG A 64 17.962 9.502 -15.509 1.00 0.00 H new ATOM 0 HH11 ARG A 64 17.018 6.274 -16.609 1.00 0.00 H new ATOM 0 HH12 ARG A 64 18.580 5.957 -17.371 1.00 0.00 H new ATOM 0 HH21 ARG A 64 19.946 9.091 -16.503 1.00 0.00 H new ATOM 0 HH22 ARG A 64 20.232 7.547 -17.311 1.00 0.00 H new ATOM 930 N ALA A 65 15.258 13.460 -13.034 1.00 0.00 N ATOM 931 CA ALA A 65 15.664 14.852 -12.980 1.00 0.00 C ATOM 932 C ALA A 65 15.543 15.398 -11.561 1.00 0.00 C ATOM 933 O ALA A 65 16.360 16.210 -11.123 1.00 0.00 O ATOM 934 CB ALA A 65 14.827 15.682 -13.939 1.00 0.00 C ATOM 0 H ALA A 65 14.280 13.311 -13.283 1.00 0.00 H new ATOM 0 HA ALA A 65 16.710 14.915 -13.281 1.00 0.00 H new ATOM 0 HB1 ALA A 65 15.142 16.724 -13.888 1.00 0.00 H new ATOM 0 HB2 ALA A 65 14.962 15.311 -14.955 1.00 0.00 H new ATOM 0 HB3 ALA A 65 13.775 15.607 -13.663 1.00 0.00 H new ATOM 940 N MET A 66 14.541 14.918 -10.836 1.00 0.00 N ATOM 941 CA MET A 66 14.212 15.457 -9.519 1.00 0.00 C ATOM 942 C MET A 66 15.284 15.156 -8.475 1.00 0.00 C ATOM 943 O MET A 66 15.581 16.005 -7.633 1.00 0.00 O ATOM 944 CB MET A 66 12.859 14.931 -9.052 1.00 0.00 C ATOM 945 CG MET A 66 11.702 15.441 -9.892 1.00 0.00 C ATOM 946 SD MET A 66 11.650 17.240 -9.991 1.00 0.00 S ATOM 947 CE MET A 66 11.489 17.675 -8.262 1.00 0.00 C ATOM 0 H MET A 66 13.938 14.153 -11.138 1.00 0.00 H new ATOM 0 HA MET A 66 14.164 16.541 -9.624 1.00 0.00 H new ATOM 0 HB2 MET A 66 12.869 13.841 -9.081 1.00 0.00 H new ATOM 0 HB3 MET A 66 12.702 15.221 -8.013 1.00 0.00 H new ATOM 0 HG2 MET A 66 11.780 15.028 -10.898 1.00 0.00 H new ATOM 0 HG3 MET A 66 10.765 15.078 -9.470 1.00 0.00 H new ATOM 0 HE1 MET A 66 11.337 18.750 -8.170 1.00 0.00 H new ATOM 0 HE2 MET A 66 10.636 17.150 -7.833 1.00 0.00 H new ATOM 0 HE3 MET A 66 12.396 17.390 -7.729 1.00 0.00 H new ATOM 957 N ASN A 67 15.864 13.959 -8.524 1.00 0.00 N ATOM 958 CA ASN A 67 16.919 13.597 -7.575 1.00 0.00 C ATOM 959 C ASN A 67 18.113 14.535 -7.721 1.00 0.00 C ATOM 960 O ASN A 67 18.700 14.969 -6.731 1.00 0.00 O ATOM 961 CB ASN A 67 17.372 12.138 -7.759 1.00 0.00 C ATOM 962 CG ASN A 67 17.952 11.855 -9.135 1.00 0.00 C ATOM 963 OD1 ASN A 67 19.120 12.130 -9.406 1.00 0.00 O ATOM 964 ND2 ASN A 67 17.144 11.282 -10.007 1.00 0.00 N ATOM 0 H ASN A 67 15.628 13.232 -9.199 1.00 0.00 H new ATOM 0 HA ASN A 67 16.504 13.697 -6.572 1.00 0.00 H new ATOM 0 HB2 ASN A 67 18.119 11.899 -7.002 1.00 0.00 H new ATOM 0 HB3 ASN A 67 16.522 11.477 -7.588 1.00 0.00 H new ATOM 0 HD21 ASN A 67 17.482 11.052 -10.941 1.00 0.00 H new ATOM 0 HD22 ASN A 67 16.181 11.069 -9.746 1.00 0.00 H new ATOM 971 N THR A 68 18.443 14.870 -8.960 1.00 0.00 N ATOM 972 CA THR A 68 19.567 15.741 -9.238 1.00 0.00 C ATOM 973 C THR A 68 19.202 17.193 -8.947 1.00 0.00 C ATOM 974 O THR A 68 20.042 17.979 -8.506 1.00 0.00 O ATOM 975 CB THR A 68 20.015 15.595 -10.704 1.00 0.00 C ATOM 976 OG1 THR A 68 20.203 14.207 -11.011 1.00 0.00 O ATOM 977 CG2 THR A 68 21.310 16.354 -10.963 1.00 0.00 C ATOM 0 H THR A 68 17.944 14.548 -9.789 1.00 0.00 H new ATOM 0 HA THR A 68 20.393 15.449 -8.589 1.00 0.00 H new ATOM 0 HB THR A 68 19.239 16.017 -11.343 1.00 0.00 H new ATOM 0 HG1 THR A 68 19.836 13.659 -10.286 1.00 0.00 H new ATOM 0 HG21 THR A 68 21.601 16.232 -12.006 1.00 0.00 H new ATOM 0 HG22 THR A 68 21.160 17.412 -10.749 1.00 0.00 H new ATOM 0 HG23 THR A 68 22.097 15.962 -10.319 1.00 0.00 H new ATOM 985 N ALA A 69 17.933 17.530 -9.168 1.00 0.00 N ATOM 986 CA ALA A 69 17.440 18.879 -8.934 1.00 0.00 C ATOM 987 C ALA A 69 17.702 19.319 -7.498 1.00 0.00 C ATOM 988 O ALA A 69 18.183 20.422 -7.260 1.00 0.00 O ATOM 989 CB ALA A 69 15.954 18.962 -9.250 1.00 0.00 C ATOM 0 H ALA A 69 17.226 16.880 -9.511 1.00 0.00 H new ATOM 0 HA ALA A 69 17.979 19.555 -9.598 1.00 0.00 H new ATOM 0 HB1 ALA A 69 15.600 19.977 -9.070 1.00 0.00 H new ATOM 0 HB2 ALA A 69 15.789 18.700 -10.295 1.00 0.00 H new ATOM 0 HB3 ALA A 69 15.407 18.268 -8.611 1.00 0.00 H new ATOM 995 N MET A 70 17.400 18.444 -6.548 1.00 0.00 N ATOM 996 CA MET A 70 17.639 18.737 -5.140 1.00 0.00 C ATOM 997 C MET A 70 19.134 18.765 -4.851 1.00 0.00 C ATOM 998 O MET A 70 19.653 19.722 -4.274 1.00 0.00 O ATOM 999 CB MET A 70 16.977 17.684 -4.252 1.00 0.00 C ATOM 1000 CG MET A 70 17.158 17.949 -2.764 1.00 0.00 C ATOM 1001 SD MET A 70 16.721 16.527 -1.741 1.00 0.00 S ATOM 1002 CE MET A 70 14.997 16.301 -2.171 1.00 0.00 C ATOM 0 H MET A 70 16.990 17.527 -6.726 1.00 0.00 H new ATOM 0 HA MET A 70 17.208 19.714 -4.921 1.00 0.00 H new ATOM 0 HB2 MET A 70 15.912 17.645 -4.480 1.00 0.00 H new ATOM 0 HB3 MET A 70 17.391 16.705 -4.492 1.00 0.00 H new ATOM 0 HG2 MET A 70 18.195 18.224 -2.572 1.00 0.00 H new ATOM 0 HG3 MET A 70 16.544 18.802 -2.474 1.00 0.00 H new ATOM 0 HE1 MET A 70 14.554 15.552 -1.515 1.00 0.00 H new ATOM 0 HE2 MET A 70 14.466 17.246 -2.054 1.00 0.00 H new ATOM 0 HE3 MET A 70 14.921 15.968 -3.206 1.00 0.00 H new ATOM 1012 N ALA A 71 19.812 17.710 -5.284 1.00 0.00 N ATOM 1013 CA ALA A 71 21.225 17.507 -4.992 1.00 0.00 C ATOM 1014 C ALA A 71 22.095 18.675 -5.454 1.00 0.00 C ATOM 1015 O ALA A 71 22.986 19.115 -4.730 1.00 0.00 O ATOM 1016 CB ALA A 71 21.699 16.217 -5.633 1.00 0.00 C ATOM 0 H ALA A 71 19.397 16.969 -5.849 1.00 0.00 H new ATOM 0 HA ALA A 71 21.328 17.445 -3.909 1.00 0.00 H new ATOM 0 HB1 ALA A 71 22.756 16.068 -5.413 1.00 0.00 H new ATOM 0 HB2 ALA A 71 21.124 15.381 -5.235 1.00 0.00 H new ATOM 0 HB3 ALA A 71 21.558 16.274 -6.712 1.00 0.00 H new ATOM 1022 N ALA A 72 21.830 19.180 -6.652 1.00 0.00 N ATOM 1023 CA ALA A 72 22.649 20.241 -7.222 1.00 0.00 C ATOM 1024 C ALA A 72 22.450 21.567 -6.493 1.00 0.00 C ATOM 1025 O ALA A 72 23.372 22.381 -6.412 1.00 0.00 O ATOM 1026 CB ALA A 72 22.353 20.399 -8.703 1.00 0.00 C ATOM 0 H ALA A 72 21.059 18.874 -7.245 1.00 0.00 H new ATOM 0 HA ALA A 72 23.693 19.954 -7.097 1.00 0.00 H new ATOM 0 HB1 ALA A 72 22.973 21.196 -9.115 1.00 0.00 H new ATOM 0 HB2 ALA A 72 22.572 19.465 -9.220 1.00 0.00 H new ATOM 0 HB3 ALA A 72 21.301 20.650 -8.839 1.00 0.00 H new ATOM 1032 N GLU A 73 21.257 21.781 -5.953 1.00 0.00 N ATOM 1033 CA GLU A 73 20.958 23.023 -5.253 1.00 0.00 C ATOM 1034 C GLU A 73 21.595 23.031 -3.865 1.00 0.00 C ATOM 1035 O GLU A 73 22.177 24.030 -3.443 1.00 0.00 O ATOM 1036 CB GLU A 73 19.448 23.234 -5.131 1.00 0.00 C ATOM 1037 CG GLU A 73 18.722 23.325 -6.464 1.00 0.00 C ATOM 1038 CD GLU A 73 19.278 24.408 -7.366 1.00 0.00 C ATOM 1039 OE1 GLU A 73 19.202 25.598 -6.992 1.00 0.00 O ATOM 1040 OE2 GLU A 73 19.778 24.074 -8.461 1.00 0.00 O ATOM 0 H GLU A 73 20.485 21.115 -5.986 1.00 0.00 H new ATOM 0 HA GLU A 73 21.378 23.841 -5.839 1.00 0.00 H new ATOM 0 HB2 GLU A 73 19.023 22.413 -4.554 1.00 0.00 H new ATOM 0 HB3 GLU A 73 19.265 24.148 -4.567 1.00 0.00 H new ATOM 0 HG2 GLU A 73 18.789 22.364 -6.975 1.00 0.00 H new ATOM 0 HG3 GLU A 73 17.664 23.517 -6.283 1.00 0.00 H new ATOM 1047 N VAL A 74 21.494 21.909 -3.160 1.00 0.00 N ATOM 1048 CA VAL A 74 22.026 21.818 -1.802 1.00 0.00 C ATOM 1049 C VAL A 74 23.548 21.705 -1.797 1.00 0.00 C ATOM 1050 O VAL A 74 24.190 21.942 -0.775 1.00 0.00 O ATOM 1051 CB VAL A 74 21.430 20.631 -1.021 1.00 0.00 C ATOM 1052 CG1 VAL A 74 19.948 20.847 -0.763 1.00 0.00 C ATOM 1053 CG2 VAL A 74 21.656 19.323 -1.758 1.00 0.00 C ATOM 0 H VAL A 74 21.053 21.055 -3.502 1.00 0.00 H new ATOM 0 HA VAL A 74 21.734 22.744 -1.306 1.00 0.00 H new ATOM 0 HB VAL A 74 21.943 20.571 -0.061 1.00 0.00 H new ATOM 0 HG11 VAL A 74 19.547 19.997 -0.210 1.00 0.00 H new ATOM 0 HG12 VAL A 74 19.809 21.757 -0.180 1.00 0.00 H new ATOM 0 HG13 VAL A 74 19.423 20.942 -1.714 1.00 0.00 H new ATOM 0 HG21 VAL A 74 21.225 18.503 -1.184 1.00 0.00 H new ATOM 0 HG22 VAL A 74 21.180 19.370 -2.737 1.00 0.00 H new ATOM 0 HG23 VAL A 74 22.726 19.156 -1.883 1.00 0.00 H new ATOM 1063 N ALA A 75 24.116 21.346 -2.938 1.00 0.00 N ATOM 1064 CA ALA A 75 25.566 21.247 -3.082 1.00 0.00 C ATOM 1065 C ALA A 75 26.254 22.551 -2.677 1.00 0.00 C ATOM 1066 O ALA A 75 27.372 22.540 -2.163 1.00 0.00 O ATOM 1067 CB ALA A 75 25.929 20.876 -4.512 1.00 0.00 C ATOM 0 H ALA A 75 23.594 21.117 -3.784 1.00 0.00 H new ATOM 0 HA ALA A 75 25.919 20.462 -2.413 1.00 0.00 H new ATOM 0 HB1 ALA A 75 27.013 20.805 -4.606 1.00 0.00 H new ATOM 0 HB2 ALA A 75 25.480 19.915 -4.764 1.00 0.00 H new ATOM 0 HB3 ALA A 75 25.555 21.641 -5.192 1.00 0.00 H new ATOM 1073 N GLU A 76 25.561 23.666 -2.885 1.00 0.00 N ATOM 1074 CA GLU A 76 26.086 24.981 -2.540 1.00 0.00 C ATOM 1075 C GLU A 76 26.396 25.083 -1.047 1.00 0.00 C ATOM 1076 O GLU A 76 27.493 25.485 -0.659 1.00 0.00 O ATOM 1077 CB GLU A 76 25.086 26.069 -2.928 1.00 0.00 C ATOM 1078 CG GLU A 76 24.904 26.228 -4.428 1.00 0.00 C ATOM 1079 CD GLU A 76 26.185 26.640 -5.121 1.00 0.00 C ATOM 1080 OE1 GLU A 76 26.694 27.740 -4.830 1.00 0.00 O ATOM 1081 OE2 GLU A 76 26.684 25.877 -5.972 1.00 0.00 O ATOM 0 H GLU A 76 24.627 23.683 -3.294 1.00 0.00 H new ATOM 0 HA GLU A 76 27.013 25.122 -3.095 1.00 0.00 H new ATOM 0 HB2 GLU A 76 24.121 25.840 -2.477 1.00 0.00 H new ATOM 0 HB3 GLU A 76 25.416 27.019 -2.509 1.00 0.00 H new ATOM 0 HG2 GLU A 76 24.551 25.287 -4.851 1.00 0.00 H new ATOM 0 HG3 GLU A 76 24.133 26.974 -4.621 1.00 0.00 H new ATOM 1088 N VAL A 77 25.435 24.699 -0.211 1.00 0.00 N ATOM 1089 CA VAL A 77 25.591 24.834 1.235 1.00 0.00 C ATOM 1090 C VAL A 77 26.644 23.866 1.756 1.00 0.00 C ATOM 1091 O VAL A 77 27.308 24.134 2.757 1.00 0.00 O ATOM 1092 CB VAL A 77 24.258 24.622 1.997 1.00 0.00 C ATOM 1093 CG1 VAL A 77 23.172 25.513 1.424 1.00 0.00 C ATOM 1094 CG2 VAL A 77 23.821 23.165 1.976 1.00 0.00 C ATOM 0 H VAL A 77 24.546 24.295 -0.507 1.00 0.00 H new ATOM 0 HA VAL A 77 25.917 25.858 1.420 1.00 0.00 H new ATOM 0 HB VAL A 77 24.427 24.897 3.038 1.00 0.00 H new ATOM 0 HG11 VAL A 77 22.243 25.351 1.971 1.00 0.00 H new ATOM 0 HG12 VAL A 77 23.471 26.557 1.517 1.00 0.00 H new ATOM 0 HG13 VAL A 77 23.021 25.272 0.372 1.00 0.00 H new ATOM 0 HG21 VAL A 77 22.883 23.059 2.521 1.00 0.00 H new ATOM 0 HG22 VAL A 77 23.680 22.842 0.944 1.00 0.00 H new ATOM 0 HG23 VAL A 77 24.586 22.549 2.448 1.00 0.00 H new ATOM 1104 N VAL A 78 26.811 22.754 1.055 1.00 0.00 N ATOM 1105 CA VAL A 78 27.805 21.762 1.428 1.00 0.00 C ATOM 1106 C VAL A 78 29.203 22.266 1.092 1.00 0.00 C ATOM 1107 O VAL A 78 30.145 22.076 1.860 1.00 0.00 O ATOM 1108 CB VAL A 78 27.542 20.417 0.725 1.00 0.00 C ATOM 1109 CG1 VAL A 78 28.581 19.384 1.121 1.00 0.00 C ATOM 1110 CG2 VAL A 78 26.141 19.920 1.050 1.00 0.00 C ATOM 0 H VAL A 78 26.269 22.517 0.224 1.00 0.00 H new ATOM 0 HA VAL A 78 27.733 21.600 2.504 1.00 0.00 H new ATOM 0 HB VAL A 78 27.618 20.572 -0.351 1.00 0.00 H new ATOM 0 HG11 VAL A 78 28.372 18.444 0.611 1.00 0.00 H new ATOM 0 HG12 VAL A 78 29.572 19.738 0.838 1.00 0.00 H new ATOM 0 HG13 VAL A 78 28.546 19.227 2.199 1.00 0.00 H new ATOM 0 HG21 VAL A 78 25.967 18.969 0.547 1.00 0.00 H new ATOM 0 HG22 VAL A 78 26.044 19.785 2.127 1.00 0.00 H new ATOM 0 HG23 VAL A 78 25.408 20.650 0.709 1.00 0.00 H new ATOM 1120 N ALA A 79 29.321 22.944 -0.044 1.00 0.00 N ATOM 1121 CA ALA A 79 30.588 23.537 -0.456 1.00 0.00 C ATOM 1122 C ALA A 79 31.023 24.618 0.530 1.00 0.00 C ATOM 1123 O ALA A 79 32.215 24.869 0.712 1.00 0.00 O ATOM 1124 CB ALA A 79 30.470 24.116 -1.857 1.00 0.00 C ATOM 0 H ALA A 79 28.553 23.097 -0.697 1.00 0.00 H new ATOM 0 HA ALA A 79 31.347 22.754 -0.464 1.00 0.00 H new ATOM 0 HB1 ALA A 79 31.423 24.555 -2.151 1.00 0.00 H new ATOM 0 HB2 ALA A 79 30.204 23.324 -2.557 1.00 0.00 H new ATOM 0 HB3 ALA A 79 29.697 24.885 -1.869 1.00 0.00 H new ATOM 1130 N THR A 80 30.041 25.242 1.173 1.00 0.00 N ATOM 1131 CA THR A 80 30.299 26.269 2.173 1.00 0.00 C ATOM 1132 C THR A 80 30.847 25.653 3.468 1.00 0.00 C ATOM 1133 O THR A 80 31.324 26.362 4.354 1.00 0.00 O ATOM 1134 CB THR A 80 29.005 27.059 2.480 1.00 0.00 C ATOM 1135 OG1 THR A 80 28.351 27.410 1.253 1.00 0.00 O ATOM 1136 CG2 THR A 80 29.295 28.327 3.270 1.00 0.00 C ATOM 0 H THR A 80 29.051 25.051 1.016 1.00 0.00 H new ATOM 0 HA THR A 80 31.048 26.949 1.767 1.00 0.00 H new ATOM 0 HB THR A 80 28.361 26.419 3.083 1.00 0.00 H new ATOM 0 HG1 THR A 80 28.004 26.600 0.824 1.00 0.00 H new ATOM 0 HG21 THR A 80 28.362 28.855 3.466 1.00 0.00 H new ATOM 0 HG22 THR A 80 29.770 28.066 4.216 1.00 0.00 H new ATOM 0 HG23 THR A 80 29.961 28.970 2.695 1.00 0.00 H new ATOM 1144 N SER A 81 30.792 24.331 3.567 1.00 0.00 N ATOM 1145 CA SER A 81 31.235 23.643 4.768 1.00 0.00 C ATOM 1146 C SER A 81 32.696 23.213 4.637 1.00 0.00 C ATOM 1147 O SER A 81 33.035 22.387 3.791 1.00 0.00 O ATOM 1148 CB SER A 81 30.343 22.431 5.030 1.00 0.00 C ATOM 1149 OG SER A 81 28.980 22.818 5.095 1.00 0.00 O ATOM 0 H SER A 81 30.445 23.717 2.830 1.00 0.00 H new ATOM 0 HA SER A 81 31.159 24.328 5.612 1.00 0.00 H new ATOM 0 HB2 SER A 81 30.480 21.694 4.238 1.00 0.00 H new ATOM 0 HB3 SER A 81 30.636 21.953 5.965 1.00 0.00 H new ATOM 0 HG SER A 81 28.667 23.066 4.200 1.00 0.00 H new ATOM 1155 N PRO A 82 33.581 23.784 5.469 1.00 0.00 N ATOM 1156 CA PRO A 82 35.007 23.456 5.450 1.00 0.00 C ATOM 1157 C PRO A 82 35.299 22.118 6.128 1.00 0.00 C ATOM 1158 O PRO A 82 34.435 21.565 6.815 1.00 0.00 O ATOM 1159 CB PRO A 82 35.632 24.611 6.239 1.00 0.00 C ATOM 1160 CG PRO A 82 34.571 25.032 7.194 1.00 0.00 C ATOM 1161 CD PRO A 82 33.258 24.798 6.492 1.00 0.00 C ATOM 0 HA PRO A 82 35.398 23.349 4.438 1.00 0.00 H new ATOM 0 HB2 PRO A 82 36.533 24.291 6.763 1.00 0.00 H new ATOM 0 HB3 PRO A 82 35.920 25.430 5.581 1.00 0.00 H new ATOM 0 HG2 PRO A 82 34.627 24.456 8.117 1.00 0.00 H new ATOM 0 HG3 PRO A 82 34.686 26.081 7.466 1.00 0.00 H new ATOM 0 HD2 PRO A 82 32.494 24.441 7.182 1.00 0.00 H new ATOM 0 HD3 PRO A 82 32.877 25.714 6.041 1.00 0.00 H new ATOM 1169 N PRO A 83 36.524 21.580 5.953 1.00 0.00 N ATOM 1170 CA PRO A 83 36.946 20.308 6.572 1.00 0.00 C ATOM 1171 C PRO A 83 37.090 20.386 8.095 1.00 0.00 C ATOM 1172 O PRO A 83 37.910 19.692 8.692 1.00 0.00 O ATOM 1173 CB PRO A 83 38.310 20.039 5.942 1.00 0.00 C ATOM 1174 CG PRO A 83 38.808 21.372 5.507 1.00 0.00 C ATOM 1175 CD PRO A 83 37.591 22.154 5.108 1.00 0.00 C ATOM 0 HA PRO A 83 36.203 19.529 6.400 1.00 0.00 H new ATOM 0 HB2 PRO A 83 38.991 19.579 6.658 1.00 0.00 H new ATOM 0 HB3 PRO A 83 38.226 19.355 5.097 1.00 0.00 H new ATOM 0 HG2 PRO A 83 39.346 21.871 6.313 1.00 0.00 H new ATOM 0 HG3 PRO A 83 39.502 21.276 4.672 1.00 0.00 H new ATOM 0 HD2 PRO A 83 37.720 23.220 5.293 1.00 0.00 H new ATOM 0 HD3 PRO A 83 37.369 22.039 4.047 1.00 0.00 H new ATOM 1183 N GLN A 84 36.304 21.244 8.710 1.00 0.00 N ATOM 1184 CA GLN A 84 36.241 21.337 10.161 1.00 0.00 C ATOM 1185 C GLN A 84 34.793 21.236 10.631 1.00 0.00 C ATOM 1186 O GLN A 84 34.515 21.251 11.830 1.00 0.00 O ATOM 1187 CB GLN A 84 36.860 22.651 10.651 1.00 0.00 C ATOM 1188 CG GLN A 84 38.328 22.808 10.285 1.00 0.00 C ATOM 1189 CD GLN A 84 38.956 24.056 10.872 1.00 0.00 C ATOM 1190 OE1 GLN A 84 38.564 24.529 11.941 1.00 0.00 O ATOM 1191 NE2 GLN A 84 39.930 24.607 10.170 1.00 0.00 N ATOM 0 H GLN A 84 35.690 21.897 8.223 1.00 0.00 H new ATOM 0 HA GLN A 84 36.812 20.509 10.581 1.00 0.00 H new ATOM 0 HB2 GLN A 84 36.299 23.486 10.231 1.00 0.00 H new ATOM 0 HB3 GLN A 84 36.756 22.710 11.734 1.00 0.00 H new ATOM 0 HG2 GLN A 84 38.878 21.934 10.632 1.00 0.00 H new ATOM 0 HG3 GLN A 84 38.425 22.836 9.200 1.00 0.00 H new ATOM 0 HE21 GLN A 84 40.226 24.185 9.290 1.00 0.00 H new ATOM 0 HE22 GLN A 84 40.386 25.454 10.508 1.00 0.00 H new ATOM 1200 N SER A 85 33.868 21.147 9.678 1.00 0.00 N ATOM 1201 CA SER A 85 32.447 21.055 9.997 1.00 0.00 C ATOM 1202 C SER A 85 31.682 20.322 8.893 1.00 0.00 C ATOM 1203 O SER A 85 30.448 20.339 8.857 1.00 0.00 O ATOM 1204 CB SER A 85 31.858 22.456 10.200 1.00 0.00 C ATOM 1205 OG SER A 85 32.522 23.144 11.250 1.00 0.00 O ATOM 0 H SER A 85 34.078 21.137 8.680 1.00 0.00 H new ATOM 0 HA SER A 85 32.344 20.486 10.921 1.00 0.00 H new ATOM 0 HB2 SER A 85 31.944 23.027 9.276 1.00 0.00 H new ATOM 0 HB3 SER A 85 30.795 22.377 10.428 1.00 0.00 H new ATOM 0 HG SER A 85 32.128 24.035 11.358 1.00 0.00 H new ATOM 1211 N TYR A 86 32.412 19.639 8.023 1.00 0.00 N ATOM 1212 CA TYR A 86 31.812 18.966 6.879 1.00 0.00 C ATOM 1213 C TYR A 86 30.980 17.776 7.337 1.00 0.00 C ATOM 1214 O TYR A 86 29.810 17.654 6.977 1.00 0.00 O ATOM 1215 CB TYR A 86 32.899 18.508 5.902 1.00 0.00 C ATOM 1216 CG TYR A 86 32.375 17.790 4.678 1.00 0.00 C ATOM 1217 CD1 TYR A 86 31.926 18.500 3.573 1.00 0.00 C ATOM 1218 CD2 TYR A 86 32.350 16.400 4.619 1.00 0.00 C ATOM 1219 CE1 TYR A 86 31.463 17.846 2.448 1.00 0.00 C ATOM 1220 CE2 TYR A 86 31.895 15.741 3.493 1.00 0.00 C ATOM 1221 CZ TYR A 86 31.454 16.468 2.412 1.00 0.00 C ATOM 1222 OH TYR A 86 31.010 15.820 1.281 1.00 0.00 O ATOM 0 H TYR A 86 33.425 19.536 8.088 1.00 0.00 H new ATOM 0 HA TYR A 86 31.156 19.671 6.368 1.00 0.00 H new ATOM 0 HB2 TYR A 86 33.472 19.378 5.581 1.00 0.00 H new ATOM 0 HB3 TYR A 86 33.589 17.848 6.428 1.00 0.00 H new ATOM 0 HD1 TYR A 86 31.939 19.580 3.593 1.00 0.00 H new ATOM 0 HD2 TYR A 86 32.692 15.826 5.468 1.00 0.00 H new ATOM 0 HE1 TYR A 86 31.109 18.412 1.599 1.00 0.00 H new ATOM 0 HE2 TYR A 86 31.886 14.661 3.462 1.00 0.00 H new ATOM 0 HH TYR A 86 31.598 16.037 0.528 1.00 0.00 H new ATOM 1232 N SER A 87 31.575 16.922 8.162 1.00 0.00 N ATOM 1233 CA SER A 87 30.889 15.731 8.655 1.00 0.00 C ATOM 1234 C SER A 87 29.890 16.083 9.753 1.00 0.00 C ATOM 1235 O SER A 87 29.335 15.202 10.404 1.00 0.00 O ATOM 1236 CB SER A 87 31.897 14.710 9.178 1.00 0.00 C ATOM 1237 OG SER A 87 32.840 14.365 8.178 1.00 0.00 O ATOM 0 H SER A 87 32.530 17.031 8.504 1.00 0.00 H new ATOM 0 HA SER A 87 30.341 15.295 7.819 1.00 0.00 H new ATOM 0 HB2 SER A 87 32.415 15.118 10.046 1.00 0.00 H new ATOM 0 HB3 SER A 87 31.372 13.815 9.512 1.00 0.00 H new ATOM 0 HG SER A 87 33.475 13.711 8.539 1.00 0.00 H new ATOM 1243 N ALA A 88 29.676 17.372 9.961 1.00 0.00 N ATOM 1244 CA ALA A 88 28.639 17.836 10.864 1.00 0.00 C ATOM 1245 C ALA A 88 27.433 18.300 10.054 1.00 0.00 C ATOM 1246 O ALA A 88 26.285 18.011 10.397 1.00 0.00 O ATOM 1247 CB ALA A 88 29.163 18.958 11.749 1.00 0.00 C ATOM 0 H ALA A 88 30.210 18.117 9.514 1.00 0.00 H new ATOM 0 HA ALA A 88 28.334 17.016 11.514 1.00 0.00 H new ATOM 0 HB1 ALA A 88 28.371 19.293 12.419 1.00 0.00 H new ATOM 0 HB2 ALA A 88 30.006 18.594 12.336 1.00 0.00 H new ATOM 0 HB3 ALA A 88 29.488 19.791 11.126 1.00 0.00 H new ATOM 1253 N VAL A 89 27.709 18.994 8.955 1.00 0.00 N ATOM 1254 CA VAL A 89 26.657 19.471 8.065 1.00 0.00 C ATOM 1255 C VAL A 89 26.134 18.324 7.207 1.00 0.00 C ATOM 1256 O VAL A 89 24.928 18.085 7.147 1.00 0.00 O ATOM 1257 CB VAL A 89 27.154 20.619 7.155 1.00 0.00 C ATOM 1258 CG1 VAL A 89 26.067 21.051 6.180 1.00 0.00 C ATOM 1259 CG2 VAL A 89 27.611 21.803 7.994 1.00 0.00 C ATOM 0 H VAL A 89 28.654 19.239 8.659 1.00 0.00 H new ATOM 0 HA VAL A 89 25.851 19.859 8.688 1.00 0.00 H new ATOM 0 HB VAL A 89 28.002 20.250 6.578 1.00 0.00 H new ATOM 0 HG11 VAL A 89 26.442 21.859 5.552 1.00 0.00 H new ATOM 0 HG12 VAL A 89 25.784 20.206 5.553 1.00 0.00 H new ATOM 0 HG13 VAL A 89 25.196 21.398 6.736 1.00 0.00 H new ATOM 0 HG21 VAL A 89 27.957 22.602 7.338 1.00 0.00 H new ATOM 0 HG22 VAL A 89 26.778 22.165 8.597 1.00 0.00 H new ATOM 0 HG23 VAL A 89 28.425 21.492 8.649 1.00 0.00 H new ATOM 1269 N LEU A 90 27.054 17.603 6.568 1.00 0.00 N ATOM 1270 CA LEU A 90 26.709 16.450 5.749 1.00 0.00 C ATOM 1271 C LEU A 90 25.957 15.423 6.593 1.00 0.00 C ATOM 1272 O LEU A 90 24.995 14.804 6.138 1.00 0.00 O ATOM 1273 CB LEU A 90 27.997 15.839 5.182 1.00 0.00 C ATOM 1274 CG LEU A 90 27.914 15.233 3.779 1.00 0.00 C ATOM 1275 CD1 LEU A 90 26.984 14.031 3.745 1.00 0.00 C ATOM 1276 CD2 LEU A 90 27.477 16.278 2.763 1.00 0.00 C ATOM 0 H LEU A 90 28.054 17.803 6.605 1.00 0.00 H new ATOM 0 HA LEU A 90 26.064 16.758 4.926 1.00 0.00 H new ATOM 0 HB2 LEU A 90 28.765 16.613 5.173 1.00 0.00 H new ATOM 0 HB3 LEU A 90 28.335 15.062 5.868 1.00 0.00 H new ATOM 0 HG LEU A 90 28.913 14.888 3.511 1.00 0.00 H new ATOM 0 HD11 LEU A 90 26.949 13.626 2.734 1.00 0.00 H new ATOM 0 HD12 LEU A 90 27.352 13.267 4.429 1.00 0.00 H new ATOM 0 HD13 LEU A 90 25.983 14.337 4.048 1.00 0.00 H new ATOM 0 HD21 LEU A 90 27.425 15.824 1.773 1.00 0.00 H new ATOM 0 HD22 LEU A 90 26.495 16.664 3.037 1.00 0.00 H new ATOM 0 HD23 LEU A 90 28.197 17.096 2.750 1.00 0.00 H new ATOM 1288 N ASN A 91 26.406 15.277 7.836 1.00 0.00 N ATOM 1289 CA ASN A 91 25.778 14.385 8.805 1.00 0.00 C ATOM 1290 C ASN A 91 24.305 14.742 8.973 1.00 0.00 C ATOM 1291 O ASN A 91 23.429 13.882 8.895 1.00 0.00 O ATOM 1292 CB ASN A 91 26.495 14.528 10.146 1.00 0.00 C ATOM 1293 CG ASN A 91 26.459 13.280 11.004 1.00 0.00 C ATOM 1294 OD1 ASN A 91 25.512 12.493 10.966 1.00 0.00 O ATOM 1295 ND2 ASN A 91 27.515 13.092 11.779 1.00 0.00 N ATOM 0 H ASN A 91 27.218 15.775 8.201 1.00 0.00 H new ATOM 0 HA ASN A 91 25.850 13.357 8.450 1.00 0.00 H new ATOM 0 HB2 ASN A 91 27.535 14.800 9.963 1.00 0.00 H new ATOM 0 HB3 ASN A 91 26.044 15.350 10.701 1.00 0.00 H new ATOM 0 HD21 ASN A 91 27.568 12.268 12.378 1.00 0.00 H new ATOM 0 HD22 ASN A 91 28.276 13.771 11.777 1.00 0.00 H new ATOM 1302 N THR A 92 24.050 16.029 9.178 1.00 0.00 N ATOM 1303 CA THR A 92 22.700 16.536 9.371 1.00 0.00 C ATOM 1304 C THR A 92 21.851 16.334 8.113 1.00 0.00 C ATOM 1305 O THR A 92 20.696 15.913 8.196 1.00 0.00 O ATOM 1306 CB THR A 92 22.736 18.033 9.747 1.00 0.00 C ATOM 1307 OG1 THR A 92 23.580 18.221 10.892 1.00 0.00 O ATOM 1308 CG2 THR A 92 21.343 18.565 10.056 1.00 0.00 C ATOM 0 H THR A 92 24.773 16.748 9.215 1.00 0.00 H new ATOM 0 HA THR A 92 22.245 15.975 10.187 1.00 0.00 H new ATOM 0 HB THR A 92 23.130 18.584 8.893 1.00 0.00 H new ATOM 0 HG1 THR A 92 24.519 18.144 10.622 1.00 0.00 H new ATOM 0 HG21 THR A 92 21.407 19.621 10.317 1.00 0.00 H new ATOM 0 HG22 THR A 92 20.705 18.445 9.180 1.00 0.00 H new ATOM 0 HG23 THR A 92 20.919 18.010 10.893 1.00 0.00 H new ATOM 1316 N ILE A 93 22.440 16.611 6.950 1.00 0.00 N ATOM 1317 CA ILE A 93 21.735 16.478 5.678 1.00 0.00 C ATOM 1318 C ILE A 93 21.223 15.053 5.474 1.00 0.00 C ATOM 1319 O ILE A 93 20.024 14.839 5.294 1.00 0.00 O ATOM 1320 CB ILE A 93 22.634 16.873 4.481 1.00 0.00 C ATOM 1321 CG1 ILE A 93 23.108 18.325 4.613 1.00 0.00 C ATOM 1322 CG2 ILE A 93 21.895 16.672 3.164 1.00 0.00 C ATOM 1323 CD1 ILE A 93 21.984 19.336 4.695 1.00 0.00 C ATOM 0 H ILE A 93 23.405 16.929 6.864 1.00 0.00 H new ATOM 0 HA ILE A 93 20.887 17.161 5.720 1.00 0.00 H new ATOM 0 HB ILE A 93 23.510 16.224 4.487 1.00 0.00 H new ATOM 0 HG12 ILE A 93 23.728 18.414 5.505 1.00 0.00 H new ATOM 0 HG13 ILE A 93 23.740 18.569 3.759 1.00 0.00 H new ATOM 0 HG21 ILE A 93 22.544 16.955 2.336 1.00 0.00 H new ATOM 0 HG22 ILE A 93 21.612 15.624 3.062 1.00 0.00 H new ATOM 0 HG23 ILE A 93 20.999 17.292 3.151 1.00 0.00 H new ATOM 0 HD11 ILE A 93 22.402 20.338 4.787 1.00 0.00 H new ATOM 0 HD12 ILE A 93 21.376 19.278 3.792 1.00 0.00 H new ATOM 0 HD13 ILE A 93 21.364 19.121 5.565 1.00 0.00 H new ATOM 1335 N GLY A 94 22.130 14.085 5.531 1.00 0.00 N ATOM 1336 CA GLY A 94 21.753 12.702 5.301 1.00 0.00 C ATOM 1337 C GLY A 94 20.771 12.184 6.332 1.00 0.00 C ATOM 1338 O GLY A 94 19.862 11.417 6.008 1.00 0.00 O ATOM 0 H GLY A 94 23.119 14.232 5.732 1.00 0.00 H new ATOM 0 HA2 GLY A 94 21.313 12.610 4.308 1.00 0.00 H new ATOM 0 HA3 GLY A 94 22.648 12.079 5.312 1.00 0.00 H new ATOM 1342 N ALA A 95 20.938 12.636 7.563 1.00 0.00 N ATOM 1343 CA ALA A 95 20.115 12.184 8.674 1.00 0.00 C ATOM 1344 C ALA A 95 18.695 12.716 8.557 1.00 0.00 C ATOM 1345 O ALA A 95 17.734 11.948 8.550 1.00 0.00 O ATOM 1346 CB ALA A 95 20.731 12.616 9.997 1.00 0.00 C ATOM 0 H ALA A 95 21.645 13.324 7.821 1.00 0.00 H new ATOM 0 HA ALA A 95 20.073 11.095 8.641 1.00 0.00 H new ATOM 0 HB1 ALA A 95 20.105 12.271 10.820 1.00 0.00 H new ATOM 0 HB2 ALA A 95 21.727 12.184 10.093 1.00 0.00 H new ATOM 0 HB3 ALA A 95 20.803 13.703 10.027 1.00 0.00 H new ATOM 1352 N CYS A 96 18.565 14.030 8.442 1.00 0.00 N ATOM 1353 CA CYS A 96 17.254 14.655 8.383 1.00 0.00 C ATOM 1354 C CYS A 96 16.501 14.228 7.127 1.00 0.00 C ATOM 1355 O CYS A 96 15.275 14.143 7.134 1.00 0.00 O ATOM 1356 CB CYS A 96 17.387 16.178 8.433 1.00 0.00 C ATOM 1357 SG CYS A 96 18.159 16.805 9.961 1.00 0.00 S ATOM 0 H CYS A 96 19.349 14.681 8.388 1.00 0.00 H new ATOM 0 HA CYS A 96 16.682 14.325 9.250 1.00 0.00 H new ATOM 0 HB2 CYS A 96 17.976 16.509 7.578 1.00 0.00 H new ATOM 0 HB3 CYS A 96 16.397 16.623 8.329 1.00 0.00 H new ATOM 1362 N LEU A 97 17.240 13.935 6.062 1.00 0.00 N ATOM 1363 CA LEU A 97 16.631 13.529 4.804 1.00 0.00 C ATOM 1364 C LEU A 97 15.943 12.174 4.943 1.00 0.00 C ATOM 1365 O LEU A 97 14.752 12.045 4.658 1.00 0.00 O ATOM 1366 CB LEU A 97 17.677 13.471 3.697 1.00 0.00 C ATOM 1367 CG LEU A 97 17.254 14.138 2.389 1.00 0.00 C ATOM 1368 CD1 LEU A 97 18.409 14.151 1.417 1.00 0.00 C ATOM 1369 CD2 LEU A 97 16.051 13.437 1.773 1.00 0.00 C ATOM 0 H LEU A 97 18.259 13.971 6.046 1.00 0.00 H new ATOM 0 HA LEU A 97 15.879 14.273 4.541 1.00 0.00 H new ATOM 0 HB2 LEU A 97 18.591 13.946 4.053 1.00 0.00 H new ATOM 0 HB3 LEU A 97 17.918 12.427 3.496 1.00 0.00 H new ATOM 0 HG LEU A 97 16.963 15.165 2.611 1.00 0.00 H new ATOM 0 HD11 LEU A 97 18.097 14.628 0.488 1.00 0.00 H new ATOM 0 HD12 LEU A 97 19.242 14.706 1.849 1.00 0.00 H new ATOM 0 HD13 LEU A 97 18.723 13.128 1.211 1.00 0.00 H new ATOM 0 HD21 LEU A 97 15.775 13.936 0.844 1.00 0.00 H new ATOM 0 HD22 LEU A 97 16.303 12.397 1.565 1.00 0.00 H new ATOM 0 HD23 LEU A 97 15.212 13.475 2.468 1.00 0.00 H new ATOM 1381 N ARG A 98 16.688 11.170 5.408 1.00 0.00 N ATOM 1382 CA ARG A 98 16.157 9.808 5.500 1.00 0.00 C ATOM 1383 C ARG A 98 14.956 9.738 6.442 1.00 0.00 C ATOM 1384 O ARG A 98 13.969 9.060 6.155 1.00 0.00 O ATOM 1385 CB ARG A 98 17.236 8.816 5.948 1.00 0.00 C ATOM 1386 CG ARG A 98 17.987 9.231 7.198 1.00 0.00 C ATOM 1387 CD ARG A 98 18.926 8.138 7.679 1.00 0.00 C ATOM 1388 NE ARG A 98 19.921 7.765 6.671 1.00 0.00 N ATOM 1389 CZ ARG A 98 21.203 7.526 6.951 1.00 0.00 C ATOM 1390 NH1 ARG A 98 21.667 7.719 8.180 1.00 0.00 N ATOM 1391 NH2 ARG A 98 22.032 7.113 5.998 1.00 0.00 N ATOM 0 H ARG A 98 17.652 11.272 5.724 1.00 0.00 H new ATOM 0 HA ARG A 98 15.825 9.528 4.500 1.00 0.00 H new ATOM 0 HB2 ARG A 98 16.771 7.846 6.123 1.00 0.00 H new ATOM 0 HB3 ARG A 98 17.951 8.684 5.136 1.00 0.00 H new ATOM 0 HG2 ARG A 98 18.557 10.138 6.996 1.00 0.00 H new ATOM 0 HG3 ARG A 98 17.275 9.472 7.987 1.00 0.00 H new ATOM 0 HD2 ARG A 98 19.437 8.474 8.581 1.00 0.00 H new ATOM 0 HD3 ARG A 98 18.343 7.258 7.952 1.00 0.00 H new ATOM 0 HE ARG A 98 19.617 7.683 5.701 1.00 0.00 H new ATOM 0 HH11 ARG A 98 21.042 8.051 8.915 1.00 0.00 H new ATOM 0 HH12 ARG A 98 22.648 7.535 8.389 1.00 0.00 H new ATOM 0 HH21 ARG A 98 21.689 6.977 5.047 1.00 0.00 H new ATOM 0 HH22 ARG A 98 23.011 6.932 6.217 1.00 0.00 H new ATOM 1405 N GLU A 99 15.051 10.443 7.560 1.00 0.00 N ATOM 1406 CA GLU A 99 13.959 10.513 8.529 1.00 0.00 C ATOM 1407 C GLU A 99 12.698 11.075 7.892 1.00 0.00 C ATOM 1408 O GLU A 99 11.635 10.453 7.921 1.00 0.00 O ATOM 1409 CB GLU A 99 14.355 11.400 9.705 1.00 0.00 C ATOM 1410 CG GLU A 99 15.564 10.905 10.468 1.00 0.00 C ATOM 1411 CD GLU A 99 15.312 9.586 11.163 1.00 0.00 C ATOM 1412 OE1 GLU A 99 14.559 9.569 12.158 1.00 0.00 O ATOM 1413 OE2 GLU A 99 15.856 8.561 10.714 1.00 0.00 O ATOM 0 H GLU A 99 15.878 10.979 7.823 1.00 0.00 H new ATOM 0 HA GLU A 99 13.760 9.500 8.878 1.00 0.00 H new ATOM 0 HB2 GLU A 99 14.557 12.406 9.337 1.00 0.00 H new ATOM 0 HB3 GLU A 99 13.511 11.475 10.391 1.00 0.00 H new ATOM 0 HG2 GLU A 99 16.403 10.795 9.781 1.00 0.00 H new ATOM 0 HG3 GLU A 99 15.853 11.652 11.207 1.00 0.00 H new ATOM 1420 N SER A 100 12.833 12.264 7.324 1.00 0.00 N ATOM 1421 CA SER A 100 11.717 12.956 6.690 1.00 0.00 C ATOM 1422 C SER A 100 11.078 12.109 5.590 1.00 0.00 C ATOM 1423 O SER A 100 9.860 12.146 5.399 1.00 0.00 O ATOM 1424 CB SER A 100 12.195 14.290 6.120 1.00 0.00 C ATOM 1425 OG SER A 100 12.820 15.071 7.123 1.00 0.00 O ATOM 0 H SER A 100 13.715 12.776 7.289 1.00 0.00 H new ATOM 0 HA SER A 100 10.956 13.135 7.449 1.00 0.00 H new ATOM 0 HB2 SER A 100 12.894 14.112 5.303 1.00 0.00 H new ATOM 0 HB3 SER A 100 11.349 14.836 5.702 1.00 0.00 H new ATOM 0 HG SER A 100 13.785 15.106 6.956 1.00 0.00 H new ATOM 1431 N MET A 101 11.903 11.347 4.879 1.00 0.00 N ATOM 1432 CA MET A 101 11.423 10.460 3.820 1.00 0.00 C ATOM 1433 C MET A 101 10.342 9.513 4.330 1.00 0.00 C ATOM 1434 O MET A 101 9.235 9.458 3.784 1.00 0.00 O ATOM 1435 CB MET A 101 12.581 9.639 3.249 1.00 0.00 C ATOM 1436 CG MET A 101 13.474 10.406 2.288 1.00 0.00 C ATOM 1437 SD MET A 101 12.722 10.638 0.664 1.00 0.00 S ATOM 1438 CE MET A 101 12.648 8.944 0.078 1.00 0.00 C ATOM 0 H MET A 101 12.913 11.325 5.017 1.00 0.00 H new ATOM 0 HA MET A 101 10.994 11.088 3.039 1.00 0.00 H new ATOM 0 HB2 MET A 101 13.189 9.267 4.074 1.00 0.00 H new ATOM 0 HB3 MET A 101 12.175 8.768 2.734 1.00 0.00 H new ATOM 0 HG2 MET A 101 13.708 11.380 2.717 1.00 0.00 H new ATOM 0 HG3 MET A 101 14.418 9.873 2.173 1.00 0.00 H new ATOM 0 HE1 MET A 101 12.640 8.936 -1.012 1.00 0.00 H new ATOM 0 HE2 MET A 101 13.519 8.396 0.438 1.00 0.00 H new ATOM 0 HE3 MET A 101 11.741 8.469 0.451 1.00 0.00 H new ATOM 1448 N MET A 102 10.654 8.783 5.394 1.00 0.00 N ATOM 1449 CA MET A 102 9.733 7.785 5.918 1.00 0.00 C ATOM 1450 C MET A 102 8.623 8.429 6.736 1.00 0.00 C ATOM 1451 O MET A 102 7.584 7.816 6.980 1.00 0.00 O ATOM 1452 CB MET A 102 10.475 6.747 6.757 1.00 0.00 C ATOM 1453 CG MET A 102 11.034 7.280 8.066 1.00 0.00 C ATOM 1454 SD MET A 102 11.876 6.001 9.016 1.00 0.00 S ATOM 1455 CE MET A 102 10.626 4.718 8.990 1.00 0.00 C ATOM 0 H MET A 102 11.532 8.863 5.907 1.00 0.00 H new ATOM 0 HA MET A 102 9.277 7.282 5.066 1.00 0.00 H new ATOM 0 HB2 MET A 102 9.797 5.922 6.975 1.00 0.00 H new ATOM 0 HB3 MET A 102 11.295 6.338 6.166 1.00 0.00 H new ATOM 0 HG2 MET A 102 11.729 8.093 7.858 1.00 0.00 H new ATOM 0 HG3 MET A 102 10.223 7.699 8.662 1.00 0.00 H new ATOM 0 HE1 MET A 102 10.790 4.033 9.822 1.00 0.00 H new ATOM 0 HE2 MET A 102 9.639 5.170 9.082 1.00 0.00 H new ATOM 0 HE3 MET A 102 10.687 4.169 8.050 1.00 0.00 H new ATOM 1465 N GLN A 103 8.843 9.664 7.162 1.00 0.00 N ATOM 1466 CA GLN A 103 7.820 10.400 7.884 1.00 0.00 C ATOM 1467 C GLN A 103 6.768 10.944 6.930 1.00 0.00 C ATOM 1468 O GLN A 103 5.662 11.284 7.345 1.00 0.00 O ATOM 1469 CB GLN A 103 8.439 11.519 8.715 1.00 0.00 C ATOM 1470 CG GLN A 103 8.647 11.115 10.162 1.00 0.00 C ATOM 1471 CD GLN A 103 9.619 12.009 10.898 1.00 0.00 C ATOM 1472 OE1 GLN A 103 9.238 13.043 11.444 1.00 0.00 O ATOM 1473 NE2 GLN A 103 10.877 11.595 10.946 1.00 0.00 N ATOM 0 H GLN A 103 9.715 10.174 7.021 1.00 0.00 H new ATOM 0 HA GLN A 103 7.326 9.710 8.568 1.00 0.00 H new ATOM 0 HB2 GLN A 103 9.396 11.805 8.279 1.00 0.00 H new ATOM 0 HB3 GLN A 103 7.795 12.397 8.674 1.00 0.00 H new ATOM 0 HG2 GLN A 103 7.687 11.131 10.678 1.00 0.00 H new ATOM 0 HG3 GLN A 103 9.011 10.088 10.197 1.00 0.00 H new ATOM 0 HE21 GLN A 103 11.148 10.730 10.478 1.00 0.00 H new ATOM 0 HE22 GLN A 103 11.575 12.141 11.451 1.00 0.00 H new ATOM 1482 N ALA A 104 7.112 11.019 5.652 1.00 0.00 N ATOM 1483 CA ALA A 104 6.146 11.389 4.637 1.00 0.00 C ATOM 1484 C ALA A 104 5.258 10.195 4.319 1.00 0.00 C ATOM 1485 O ALA A 104 4.052 10.233 4.562 1.00 0.00 O ATOM 1486 CB ALA A 104 6.850 11.889 3.384 1.00 0.00 C ATOM 0 H ALA A 104 8.050 10.829 5.298 1.00 0.00 H new ATOM 0 HA ALA A 104 5.524 12.200 5.016 1.00 0.00 H new ATOM 0 HB1 ALA A 104 6.108 12.162 2.634 1.00 0.00 H new ATOM 0 HB2 ALA A 104 7.455 12.762 3.630 1.00 0.00 H new ATOM 0 HB3 ALA A 104 7.493 11.102 2.989 1.00 0.00 H new ATOM 1492 N THR A 105 5.878 9.126 3.808 1.00 0.00 N ATOM 1493 CA THR A 105 5.166 7.888 3.473 1.00 0.00 C ATOM 1494 C THR A 105 6.026 6.973 2.593 1.00 0.00 C ATOM 1495 O THR A 105 5.796 5.763 2.522 1.00 0.00 O ATOM 1496 CB THR A 105 3.827 8.161 2.741 1.00 0.00 C ATOM 1497 OG1 THR A 105 3.087 6.942 2.600 1.00 0.00 O ATOM 1498 CG2 THR A 105 4.068 8.776 1.369 1.00 0.00 C ATOM 0 H THR A 105 6.879 9.094 3.616 1.00 0.00 H new ATOM 0 HA THR A 105 4.954 7.396 4.423 1.00 0.00 H new ATOM 0 HB THR A 105 3.253 8.868 3.340 1.00 0.00 H new ATOM 0 HG1 THR A 105 3.708 6.185 2.562 1.00 0.00 H new ATOM 0 HG21 THR A 105 3.112 8.957 0.878 1.00 0.00 H new ATOM 0 HG22 THR A 105 4.602 9.719 1.482 1.00 0.00 H new ATOM 0 HG23 THR A 105 4.663 8.093 0.763 1.00 0.00 H new ATOM 1506 N GLY A 106 7.028 7.545 1.936 1.00 0.00 N ATOM 1507 CA GLY A 106 7.810 6.788 0.976 1.00 0.00 C ATOM 1508 C GLY A 106 8.926 5.974 1.603 1.00 0.00 C ATOM 1509 O GLY A 106 9.821 5.519 0.891 1.00 0.00 O ATOM 0 H GLY A 106 7.313 8.518 2.050 1.00 0.00 H new ATOM 0 HA2 GLY A 106 7.147 6.118 0.429 1.00 0.00 H new ATOM 0 HA3 GLY A 106 8.239 7.476 0.248 1.00 0.00 H new ATOM 1513 N SER A 107 8.862 5.779 2.925 1.00 0.00 N ATOM 1514 CA SER A 107 9.878 5.039 3.684 1.00 0.00 C ATOM 1515 C SER A 107 11.289 5.570 3.412 1.00 0.00 C ATOM 1516 O SER A 107 11.468 6.618 2.787 1.00 0.00 O ATOM 1517 CB SER A 107 9.791 3.527 3.399 1.00 0.00 C ATOM 1518 OG SER A 107 10.013 3.224 2.031 1.00 0.00 O ATOM 0 H SER A 107 8.099 6.132 3.503 1.00 0.00 H new ATOM 0 HA SER A 107 9.670 5.196 4.742 1.00 0.00 H new ATOM 0 HB2 SER A 107 10.526 3.002 4.009 1.00 0.00 H new ATOM 0 HB3 SER A 107 8.809 3.159 3.696 1.00 0.00 H new ATOM 0 HG SER A 107 10.336 4.024 1.567 1.00 0.00 H new ATOM 1524 N VAL A 108 12.292 4.873 3.920 1.00 0.00 N ATOM 1525 CA VAL A 108 13.667 5.247 3.656 1.00 0.00 C ATOM 1526 C VAL A 108 14.201 4.462 2.465 1.00 0.00 C ATOM 1527 O VAL A 108 14.698 3.344 2.614 1.00 0.00 O ATOM 1528 CB VAL A 108 14.587 5.014 4.873 1.00 0.00 C ATOM 1529 CG1 VAL A 108 15.992 5.528 4.589 1.00 0.00 C ATOM 1530 CG2 VAL A 108 14.018 5.675 6.121 1.00 0.00 C ATOM 0 H VAL A 108 12.179 4.051 4.513 1.00 0.00 H new ATOM 0 HA VAL A 108 13.669 6.315 3.438 1.00 0.00 H new ATOM 0 HB VAL A 108 14.642 3.941 5.054 1.00 0.00 H new ATOM 0 HG11 VAL A 108 16.626 5.355 5.459 1.00 0.00 H new ATOM 0 HG12 VAL A 108 16.405 5.002 3.729 1.00 0.00 H new ATOM 0 HG13 VAL A 108 15.952 6.596 4.376 1.00 0.00 H new ATOM 0 HG21 VAL A 108 14.685 5.496 6.964 1.00 0.00 H new ATOM 0 HG22 VAL A 108 13.925 6.748 5.954 1.00 0.00 H new ATOM 0 HG23 VAL A 108 13.036 5.255 6.340 1.00 0.00 H new ATOM 1540 N ASP A 109 14.060 5.028 1.280 1.00 0.00 N ATOM 1541 CA ASP A 109 14.604 4.406 0.086 1.00 0.00 C ATOM 1542 C ASP A 109 16.112 4.583 0.064 1.00 0.00 C ATOM 1543 O ASP A 109 16.616 5.701 -0.084 1.00 0.00 O ATOM 1544 CB ASP A 109 13.984 4.990 -1.182 1.00 0.00 C ATOM 1545 CG ASP A 109 14.413 4.229 -2.421 1.00 0.00 C ATOM 1546 OD1 ASP A 109 13.823 3.164 -2.698 1.00 0.00 O ATOM 1547 OD2 ASP A 109 15.342 4.678 -3.116 1.00 0.00 O ATOM 0 H ASP A 109 13.577 5.912 1.119 1.00 0.00 H new ATOM 0 HA ASP A 109 14.361 3.344 0.112 1.00 0.00 H new ATOM 0 HB2 ASP A 109 12.897 4.967 -1.099 1.00 0.00 H new ATOM 0 HB3 ASP A 109 14.274 6.036 -1.280 1.00 0.00 H new ATOM 1552 N ASN A 110 16.830 3.484 0.238 1.00 0.00 N ATOM 1553 CA ASN A 110 18.280 3.527 0.354 1.00 0.00 C ATOM 1554 C ASN A 110 18.922 3.999 -0.939 1.00 0.00 C ATOM 1555 O ASN A 110 19.888 4.749 -0.913 1.00 0.00 O ATOM 1556 CB ASN A 110 18.837 2.155 0.745 1.00 0.00 C ATOM 1557 CG ASN A 110 18.615 1.811 2.211 1.00 0.00 C ATOM 1558 OD1 ASN A 110 17.540 2.313 2.803 1.00 0.00 O flip ATOM 1559 ND2 ASN A 110 19.411 1.090 2.809 1.00 0.00 N flip ATOM 0 H ASN A 110 16.430 2.548 0.302 1.00 0.00 H new ATOM 0 HA ASN A 110 18.524 4.242 1.140 1.00 0.00 H new ATOM 0 HB2 ASN A 110 18.369 1.390 0.125 1.00 0.00 H new ATOM 0 HB3 ASN A 110 19.905 2.130 0.531 1.00 0.00 H new ATOM 0 HD21 ASN A 110 20.228 0.720 2.324 1.00 0.00 H new ATOM 0 HD22 ASN A 110 19.254 0.861 3.791 1.00 0.00 H new ATOM 1566 N ALA A 111 18.369 3.575 -2.068 1.00 0.00 N ATOM 1567 CA ALA A 111 18.918 3.950 -3.368 1.00 0.00 C ATOM 1568 C ALA A 111 18.835 5.456 -3.591 1.00 0.00 C ATOM 1569 O ALA A 111 19.821 6.083 -3.974 1.00 0.00 O ATOM 1570 CB ALA A 111 18.202 3.212 -4.489 1.00 0.00 C ATOM 0 H ALA A 111 17.546 2.975 -2.112 1.00 0.00 H new ATOM 0 HA ALA A 111 19.970 3.663 -3.376 1.00 0.00 H new ATOM 0 HB1 ALA A 111 18.627 3.507 -5.448 1.00 0.00 H new ATOM 0 HB2 ALA A 111 18.324 2.137 -4.353 1.00 0.00 H new ATOM 0 HB3 ALA A 111 17.141 3.462 -4.470 1.00 0.00 H new ATOM 1576 N PHE A 112 17.654 6.023 -3.360 1.00 0.00 N ATOM 1577 CA PHE A 112 17.445 7.460 -3.510 1.00 0.00 C ATOM 1578 C PHE A 112 18.347 8.251 -2.570 1.00 0.00 C ATOM 1579 O PHE A 112 19.104 9.110 -3.013 1.00 0.00 O ATOM 1580 CB PHE A 112 15.976 7.816 -3.250 1.00 0.00 C ATOM 1581 CG PHE A 112 15.667 9.285 -3.371 1.00 0.00 C ATOM 1582 CD1 PHE A 112 15.591 9.891 -4.616 1.00 0.00 C ATOM 1583 CD2 PHE A 112 15.451 10.061 -2.240 1.00 0.00 C ATOM 1584 CE1 PHE A 112 15.309 11.239 -4.731 1.00 0.00 C ATOM 1585 CE2 PHE A 112 15.169 11.410 -2.351 1.00 0.00 C ATOM 1586 CZ PHE A 112 15.097 11.999 -3.597 1.00 0.00 C ATOM 0 H PHE A 112 16.824 5.507 -3.067 1.00 0.00 H new ATOM 0 HA PHE A 112 17.702 7.729 -4.535 1.00 0.00 H new ATOM 0 HB2 PHE A 112 15.350 7.265 -3.952 1.00 0.00 H new ATOM 0 HB3 PHE A 112 15.704 7.480 -2.249 1.00 0.00 H new ATOM 0 HD1 PHE A 112 15.754 9.302 -5.507 1.00 0.00 H new ATOM 0 HD2 PHE A 112 15.504 9.606 -1.262 1.00 0.00 H new ATOM 0 HE1 PHE A 112 15.254 11.698 -5.707 1.00 0.00 H new ATOM 0 HE2 PHE A 112 15.005 12.003 -1.463 1.00 0.00 H new ATOM 0 HZ PHE A 112 14.875 13.052 -3.685 1.00 0.00 H new ATOM 1596 N THR A 113 18.271 7.956 -1.278 1.00 0.00 N ATOM 1597 CA THR A 113 19.074 8.671 -0.290 1.00 0.00 C ATOM 1598 C THR A 113 20.570 8.545 -0.589 1.00 0.00 C ATOM 1599 O THR A 113 21.309 9.526 -0.506 1.00 0.00 O ATOM 1600 CB THR A 113 18.783 8.175 1.138 1.00 0.00 C ATOM 1601 OG1 THR A 113 18.806 6.745 1.177 1.00 0.00 O ATOM 1602 CG2 THR A 113 17.431 8.676 1.623 1.00 0.00 C ATOM 0 H THR A 113 17.666 7.232 -0.890 1.00 0.00 H new ATOM 0 HA THR A 113 18.794 9.722 -0.355 1.00 0.00 H new ATOM 0 HB THR A 113 19.557 8.569 1.796 1.00 0.00 H new ATOM 0 HG1 THR A 113 17.956 6.395 0.837 1.00 0.00 H new ATOM 0 HG21 THR A 113 17.249 8.312 2.634 1.00 0.00 H new ATOM 0 HG22 THR A 113 17.426 9.766 1.624 1.00 0.00 H new ATOM 0 HG23 THR A 113 16.648 8.310 0.959 1.00 0.00 H new ATOM 1610 N ASN A 114 21.004 7.341 -0.950 1.00 0.00 N ATOM 1611 CA ASN A 114 22.397 7.093 -1.317 1.00 0.00 C ATOM 1612 C ASN A 114 22.803 7.909 -2.539 1.00 0.00 C ATOM 1613 O ASN A 114 23.885 8.491 -2.571 1.00 0.00 O ATOM 1614 CB ASN A 114 22.604 5.596 -1.581 1.00 0.00 C ATOM 1615 CG ASN A 114 23.852 5.282 -2.385 1.00 0.00 C ATOM 1616 OD1 ASN A 114 24.943 5.127 -1.834 1.00 0.00 O ATOM 1617 ND2 ASN A 114 23.692 5.149 -3.694 1.00 0.00 N ATOM 0 H ASN A 114 20.407 6.515 -0.997 1.00 0.00 H new ATOM 0 HA ASN A 114 23.031 7.404 -0.487 1.00 0.00 H new ATOM 0 HB2 ASN A 114 22.657 5.072 -0.627 1.00 0.00 H new ATOM 0 HB3 ASN A 114 21.735 5.206 -2.111 1.00 0.00 H new ATOM 0 HD21 ASN A 114 24.489 4.910 -4.284 1.00 0.00 H new ATOM 0 HD22 ASN A 114 22.772 5.286 -4.112 1.00 0.00 H new ATOM 1624 N GLU A 115 21.930 7.958 -3.537 1.00 0.00 N ATOM 1625 CA GLU A 115 22.194 8.668 -4.752 1.00 0.00 C ATOM 1626 C GLU A 115 22.268 10.167 -4.491 1.00 0.00 C ATOM 1627 O GLU A 115 23.146 10.854 -5.015 1.00 0.00 O ATOM 1628 CB GLU A 115 21.096 8.332 -5.749 1.00 0.00 C ATOM 1629 CG GLU A 115 21.276 9.010 -7.070 1.00 0.00 C ATOM 1630 CD GLU A 115 20.422 8.405 -8.160 1.00 0.00 C ATOM 1631 OE1 GLU A 115 19.262 8.827 -8.321 1.00 0.00 O ATOM 1632 OE2 GLU A 115 20.911 7.485 -8.855 1.00 0.00 O ATOM 0 H GLU A 115 21.019 7.500 -3.513 1.00 0.00 H new ATOM 0 HA GLU A 115 23.158 8.368 -5.162 1.00 0.00 H new ATOM 0 HB2 GLU A 115 21.070 7.253 -5.902 1.00 0.00 H new ATOM 0 HB3 GLU A 115 20.132 8.618 -5.329 1.00 0.00 H new ATOM 0 HG2 GLU A 115 21.031 10.067 -6.967 1.00 0.00 H new ATOM 0 HG3 GLU A 115 22.324 8.953 -7.363 1.00 0.00 H new ATOM 1639 N VAL A 116 21.353 10.665 -3.668 1.00 0.00 N ATOM 1640 CA VAL A 116 21.396 12.058 -3.238 1.00 0.00 C ATOM 1641 C VAL A 116 22.716 12.346 -2.527 1.00 0.00 C ATOM 1642 O VAL A 116 23.422 13.282 -2.885 1.00 0.00 O ATOM 1643 CB VAL A 116 20.212 12.411 -2.309 1.00 0.00 C ATOM 1644 CG1 VAL A 116 20.322 13.843 -1.805 1.00 0.00 C ATOM 1645 CG2 VAL A 116 18.890 12.206 -3.031 1.00 0.00 C ATOM 0 H VAL A 116 20.575 10.128 -3.286 1.00 0.00 H new ATOM 0 HA VAL A 116 21.316 12.680 -4.130 1.00 0.00 H new ATOM 0 HB VAL A 116 20.248 11.743 -1.448 1.00 0.00 H new ATOM 0 HG11 VAL A 116 19.477 14.065 -1.154 1.00 0.00 H new ATOM 0 HG12 VAL A 116 21.251 13.962 -1.247 1.00 0.00 H new ATOM 0 HG13 VAL A 116 20.317 14.528 -2.653 1.00 0.00 H new ATOM 0 HG21 VAL A 116 18.067 12.459 -2.362 1.00 0.00 H new ATOM 0 HG22 VAL A 116 18.853 12.848 -3.911 1.00 0.00 H new ATOM 0 HG23 VAL A 116 18.801 11.164 -3.338 1.00 0.00 H new ATOM 1655 N MET A 117 23.050 11.518 -1.540 1.00 0.00 N ATOM 1656 CA MET A 117 24.317 11.640 -0.818 1.00 0.00 C ATOM 1657 C MET A 117 25.496 11.647 -1.789 1.00 0.00 C ATOM 1658 O MET A 117 26.382 12.497 -1.696 1.00 0.00 O ATOM 1659 CB MET A 117 24.464 10.490 0.184 1.00 0.00 C ATOM 1660 CG MET A 117 23.529 10.575 1.388 1.00 0.00 C ATOM 1661 SD MET A 117 24.086 11.707 2.688 1.00 0.00 S ATOM 1662 CE MET A 117 23.750 13.321 1.977 1.00 0.00 C ATOM 0 H MET A 117 22.458 10.751 -1.220 1.00 0.00 H new ATOM 0 HA MET A 117 24.315 12.586 -0.276 1.00 0.00 H new ATOM 0 HB2 MET A 117 24.284 9.548 -0.334 1.00 0.00 H new ATOM 0 HB3 MET A 117 25.494 10.465 0.541 1.00 0.00 H new ATOM 0 HG2 MET A 117 22.543 10.891 1.046 1.00 0.00 H new ATOM 0 HG3 MET A 117 23.414 9.579 1.815 1.00 0.00 H new ATOM 0 HE1 MET A 117 23.443 14.009 2.765 1.00 0.00 H new ATOM 0 HE2 MET A 117 24.650 13.700 1.494 1.00 0.00 H new ATOM 0 HE3 MET A 117 22.952 13.235 1.240 1.00 0.00 H new ATOM 1672 N GLN A 118 25.478 10.707 -2.724 1.00 0.00 N ATOM 1673 CA GLN A 118 26.494 10.612 -3.765 1.00 0.00 C ATOM 1674 C GLN A 118 26.629 11.932 -4.522 1.00 0.00 C ATOM 1675 O GLN A 118 27.706 12.529 -4.571 1.00 0.00 O ATOM 1676 CB GLN A 118 26.111 9.494 -4.737 1.00 0.00 C ATOM 1677 CG GLN A 118 27.034 9.363 -5.934 1.00 0.00 C ATOM 1678 CD GLN A 118 26.454 8.461 -7.005 1.00 0.00 C ATOM 1679 OE1 GLN A 118 25.234 8.368 -7.164 1.00 0.00 O ATOM 1680 NE2 GLN A 118 27.317 7.792 -7.750 1.00 0.00 N ATOM 0 H GLN A 118 24.758 9.987 -2.783 1.00 0.00 H new ATOM 0 HA GLN A 118 27.454 10.390 -3.299 1.00 0.00 H new ATOM 0 HB2 GLN A 118 26.099 8.547 -4.197 1.00 0.00 H new ATOM 0 HB3 GLN A 118 25.096 9.670 -5.093 1.00 0.00 H new ATOM 0 HG2 GLN A 118 27.223 10.350 -6.355 1.00 0.00 H new ATOM 0 HG3 GLN A 118 27.996 8.966 -5.608 1.00 0.00 H new ATOM 0 HE21 GLN A 118 28.319 7.896 -7.588 1.00 0.00 H new ATOM 0 HE22 GLN A 118 26.981 7.172 -8.487 1.00 0.00 H new ATOM 1689 N LEU A 119 25.519 12.382 -5.091 1.00 0.00 N ATOM 1690 CA LEU A 119 25.492 13.587 -5.911 1.00 0.00 C ATOM 1691 C LEU A 119 25.858 14.832 -5.111 1.00 0.00 C ATOM 1692 O LEU A 119 26.717 15.602 -5.530 1.00 0.00 O ATOM 1693 CB LEU A 119 24.110 13.751 -6.544 1.00 0.00 C ATOM 1694 CG LEU A 119 23.803 12.779 -7.683 1.00 0.00 C ATOM 1695 CD1 LEU A 119 22.301 12.616 -7.857 1.00 0.00 C ATOM 1696 CD2 LEU A 119 24.432 13.271 -8.978 1.00 0.00 C ATOM 0 H LEU A 119 24.613 11.923 -4.998 1.00 0.00 H new ATOM 0 HA LEU A 119 26.242 13.474 -6.694 1.00 0.00 H new ATOM 0 HB2 LEU A 119 23.354 13.628 -5.768 1.00 0.00 H new ATOM 0 HB3 LEU A 119 24.018 14.770 -6.921 1.00 0.00 H new ATOM 0 HG LEU A 119 24.229 11.808 -7.432 1.00 0.00 H new ATOM 0 HD11 LEU A 119 22.103 11.920 -8.672 1.00 0.00 H new ATOM 0 HD12 LEU A 119 21.868 12.228 -6.935 1.00 0.00 H new ATOM 0 HD13 LEU A 119 21.854 13.583 -8.088 1.00 0.00 H new ATOM 0 HD21 LEU A 119 24.206 12.570 -9.782 1.00 0.00 H new ATOM 0 HD22 LEU A 119 24.029 14.252 -9.228 1.00 0.00 H new ATOM 0 HD23 LEU A 119 25.512 13.344 -8.853 1.00 0.00 H new ATOM 1708 N VAL A 120 25.217 15.015 -3.961 1.00 0.00 N ATOM 1709 CA VAL A 120 25.438 16.202 -3.135 1.00 0.00 C ATOM 1710 C VAL A 120 26.921 16.401 -2.830 1.00 0.00 C ATOM 1711 O VAL A 120 27.458 17.494 -3.009 1.00 0.00 O ATOM 1712 CB VAL A 120 24.647 16.128 -1.808 1.00 0.00 C ATOM 1713 CG1 VAL A 120 25.027 17.274 -0.885 1.00 0.00 C ATOM 1714 CG2 VAL A 120 23.153 16.151 -2.076 1.00 0.00 C ATOM 0 H VAL A 120 24.539 14.357 -3.577 1.00 0.00 H new ATOM 0 HA VAL A 120 25.077 17.054 -3.711 1.00 0.00 H new ATOM 0 HB VAL A 120 24.903 15.189 -1.317 1.00 0.00 H new ATOM 0 HG11 VAL A 120 24.457 17.200 0.041 1.00 0.00 H new ATOM 0 HG12 VAL A 120 26.092 17.223 -0.661 1.00 0.00 H new ATOM 0 HG13 VAL A 120 24.804 18.223 -1.373 1.00 0.00 H new ATOM 0 HG21 VAL A 120 22.613 16.098 -1.131 1.00 0.00 H new ATOM 0 HG22 VAL A 120 22.890 17.074 -2.593 1.00 0.00 H new ATOM 0 HG23 VAL A 120 22.882 15.297 -2.697 1.00 0.00 H new ATOM 1724 N LYS A 121 27.580 15.333 -2.392 1.00 0.00 N ATOM 1725 CA LYS A 121 28.994 15.396 -2.042 1.00 0.00 C ATOM 1726 C LYS A 121 29.851 15.609 -3.285 1.00 0.00 C ATOM 1727 O LYS A 121 30.768 16.427 -3.289 1.00 0.00 O ATOM 1728 CB LYS A 121 29.412 14.104 -1.334 1.00 0.00 C ATOM 1729 CG LYS A 121 28.623 13.825 -0.063 1.00 0.00 C ATOM 1730 CD LYS A 121 28.960 12.461 0.525 1.00 0.00 C ATOM 1731 CE LYS A 121 30.153 12.508 1.478 1.00 0.00 C ATOM 1732 NZ LYS A 121 31.385 13.045 0.840 1.00 0.00 N ATOM 0 H LYS A 121 27.157 14.413 -2.271 1.00 0.00 H new ATOM 0 HA LYS A 121 29.147 16.241 -1.371 1.00 0.00 H new ATOM 0 HB2 LYS A 121 29.288 13.266 -2.020 1.00 0.00 H new ATOM 0 HB3 LYS A 121 30.473 14.160 -1.089 1.00 0.00 H new ATOM 0 HG2 LYS A 121 28.834 14.600 0.673 1.00 0.00 H new ATOM 0 HG3 LYS A 121 27.556 13.874 -0.280 1.00 0.00 H new ATOM 0 HD2 LYS A 121 28.091 12.074 1.057 1.00 0.00 H new ATOM 0 HD3 LYS A 121 29.174 11.764 -0.285 1.00 0.00 H new ATOM 0 HE2 LYS A 121 29.898 13.125 2.340 1.00 0.00 H new ATOM 0 HE3 LYS A 121 30.352 11.504 1.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 32.218 12.736 1.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 31.453 12.691 -0.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 31.346 14.084 0.829 1.00 0.00 H new ATOM 1746 N MET A 122 29.527 14.879 -4.342 1.00 0.00 N ATOM 1747 CA MET A 122 30.293 14.922 -5.586 1.00 0.00 C ATOM 1748 C MET A 122 30.183 16.279 -6.279 1.00 0.00 C ATOM 1749 O MET A 122 31.116 16.721 -6.949 1.00 0.00 O ATOM 1750 CB MET A 122 29.814 13.808 -6.524 1.00 0.00 C ATOM 1751 CG MET A 122 30.449 13.834 -7.903 1.00 0.00 C ATOM 1752 SD MET A 122 29.862 12.494 -8.961 1.00 0.00 S ATOM 1753 CE MET A 122 28.091 12.787 -8.955 1.00 0.00 C ATOM 0 H MET A 122 28.731 14.242 -4.365 1.00 0.00 H new ATOM 0 HA MET A 122 31.343 14.769 -5.338 1.00 0.00 H new ATOM 0 HB2 MET A 122 30.022 12.844 -6.060 1.00 0.00 H new ATOM 0 HB3 MET A 122 28.732 13.882 -6.634 1.00 0.00 H new ATOM 0 HG2 MET A 122 30.234 14.790 -8.380 1.00 0.00 H new ATOM 0 HG3 MET A 122 31.532 13.765 -7.802 1.00 0.00 H new ATOM 0 HE1 MET A 122 27.679 12.547 -9.935 1.00 0.00 H new ATOM 0 HE2 MET A 122 27.621 12.158 -8.199 1.00 0.00 H new ATOM 0 HE3 MET A 122 27.896 13.835 -8.727 1.00 0.00 H new ATOM 1763 N LEU A 123 29.055 16.947 -6.104 1.00 0.00 N ATOM 1764 CA LEU A 123 28.809 18.218 -6.775 1.00 0.00 C ATOM 1765 C LEU A 123 29.332 19.397 -5.960 1.00 0.00 C ATOM 1766 O LEU A 123 29.138 20.551 -6.341 1.00 0.00 O ATOM 1767 CB LEU A 123 27.310 18.398 -7.042 1.00 0.00 C ATOM 1768 CG LEU A 123 26.687 17.390 -8.013 1.00 0.00 C ATOM 1769 CD1 LEU A 123 25.177 17.554 -8.051 1.00 0.00 C ATOM 1770 CD2 LEU A 123 27.269 17.554 -9.411 1.00 0.00 C ATOM 0 H LEU A 123 28.293 16.632 -5.503 1.00 0.00 H new ATOM 0 HA LEU A 123 29.348 18.197 -7.722 1.00 0.00 H new ATOM 0 HB2 LEU A 123 26.780 18.336 -6.092 1.00 0.00 H new ATOM 0 HB3 LEU A 123 27.147 19.402 -7.434 1.00 0.00 H new ATOM 0 HG LEU A 123 26.923 16.387 -7.658 1.00 0.00 H new ATOM 0 HD11 LEU A 123 24.750 16.831 -8.745 1.00 0.00 H new ATOM 0 HD12 LEU A 123 24.768 17.386 -7.055 1.00 0.00 H new ATOM 0 HD13 LEU A 123 24.929 18.563 -8.380 1.00 0.00 H new ATOM 0 HD21 LEU A 123 26.812 16.828 -10.083 1.00 0.00 H new ATOM 0 HD22 LEU A 123 27.066 18.562 -9.774 1.00 0.00 H new ATOM 0 HD23 LEU A 123 28.346 17.390 -9.378 1.00 0.00 H new ATOM 1782 N SER A 124 30.009 19.125 -4.854 1.00 0.00 N ATOM 1783 CA SER A 124 30.487 20.197 -3.995 1.00 0.00 C ATOM 1784 C SER A 124 31.925 19.952 -3.559 1.00 0.00 C ATOM 1785 O SER A 124 32.848 20.654 -3.986 1.00 0.00 O ATOM 1786 CB SER A 124 29.573 20.328 -2.776 1.00 0.00 C ATOM 1787 OG SER A 124 29.384 19.071 -2.145 1.00 0.00 O ATOM 0 H SER A 124 30.237 18.184 -4.534 1.00 0.00 H new ATOM 0 HA SER A 124 30.466 21.129 -4.560 1.00 0.00 H new ATOM 0 HB2 SER A 124 30.006 21.034 -2.067 1.00 0.00 H new ATOM 0 HB3 SER A 124 28.609 20.734 -3.082 1.00 0.00 H new ATOM 0 HG SER A 124 28.702 18.561 -2.630 1.00 0.00 H new ATOM 1793 N ALA A 125 32.100 18.944 -2.721 1.00 0.00 N ATOM 1794 CA ALA A 125 33.396 18.601 -2.171 1.00 0.00 C ATOM 1795 C ALA A 125 33.330 17.229 -1.520 1.00 0.00 C ATOM 1796 O ALA A 125 32.640 17.036 -0.520 1.00 0.00 O ATOM 1797 CB ALA A 125 33.834 19.648 -1.160 1.00 0.00 C ATOM 0 H ALA A 125 31.342 18.339 -2.403 1.00 0.00 H new ATOM 0 HA ALA A 125 34.129 18.575 -2.977 1.00 0.00 H new ATOM 0 HB1 ALA A 125 34.809 19.377 -0.755 1.00 0.00 H new ATOM 0 HB2 ALA A 125 33.901 20.620 -1.649 1.00 0.00 H new ATOM 0 HB3 ALA A 125 33.106 19.699 -0.350 1.00 0.00 H new