USER MOD reduce.3.24.130724 H: found=0, std=0, add=854, rem=0, adj=35 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 67 ASN : amide:sc= -0.163 K(o=1,f=-3.3!) USER MOD Set 1.2: A 68 THR OG1 : rot -17:sc= 1.17 USER MOD Set 2.1: A 54 MET CE :methyl -131:sc= -1.44 (180deg=-5.4!) USER MOD Set 2.2: A 66 MET CE :methyl -149:sc= -0.608 (180deg=-1.92) USER MOD Set 3.1: A 46 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 50 GLN : amide:sc= 0.875 X(o=0.88,f=0.79) USER MOD Set 4.1: A 36 GLN : amide:sc= 0.803 K(o=1,f=-1.5) USER MOD Set 4.2: A 81 SER OG : rot 70:sc= 0.212 USER MOD Set 5.1: A 16 MET CE :methyl -136:sc= -3.71! (180deg=-4.62!) USER MOD Set 5.2: A 48 ASN :FLIP amide:sc= -0.0434 F(o=-5.4,f=-3.8) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0406 USER MOD Single : A 11 ASN : amide:sc= -0.32 K(o=-0.32,f=-4.5!) USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 THR OG1 : rot 90:sc= 1.27 USER MOD Single : A 18 MET CE :methyl -128:sc= 0 (180deg=-0.325) USER MOD Single : A 19 THR OG1 : rot 75:sc= 0.624 USER MOD Single : A 20 ASN : amide:sc= 0.0591 K(o=0.059,f=-0.63) USER MOD Single : A 21 ASN : amide:sc= -0.0406 K(o=-0.041,f=-1.4!) USER MOD Single : A 24 GLN : amide:sc= -0.0566 K(o=-0.057,f=-1.6!) USER MOD Single : A 27 SER OG : rot -36:sc= 0.0646 USER MOD Single : A 29 SER OG : rot -91:sc= 1.17 USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.103 USER MOD Single : A 37 MET CE :methyl -176:sc= -1.21 (180deg=-1.29) USER MOD Single : A 40 MET CE :methyl -133:sc= -0.204 (180deg=-1.48) USER MOD Single : A 42 MET CE :methyl -125:sc= -1.58 (180deg=-1.65) USER MOD Single : A 43 MET CE :methyl -146:sc=-0.00988 (180deg=-1.16) USER MOD Single : A 49 SER OG : rot 87:sc= 0.67 USER MOD Single : A 51 MET CE :methyl -105:sc= -2.59 (180deg=-3.59!) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 HIS : no HD1:sc= -0.262 X(o=-0.26,f=0) USER MOD Single : A 70 MET CE :methyl 176:sc= -0.138 (180deg=-0.155) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 85 SER OG : rot 180:sc= 0.00504 USER MOD Single : A 86 TYR OH : rot -116:sc= 0.0516 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= 0.149 X(o=0.15,f=-0.22) USER MOD Single : A 92 THR OG1 : rot 86:sc= 1.33 USER MOD Single : A 100 SER OG : rot 98:sc= 1.23 USER MOD Single : A 101 MET CE :methyl -153:sc= -0.142 (180deg=-0.948) USER MOD Single : A 102 MET CE :methyl -161:sc= -0.309 (180deg=-1.19) USER MOD Single : A 103 GLN : amide:sc= -1.03 K(o=-1,f=-2.4!) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 11:sc= 0.834 USER MOD Single : A 110 ASN : amide:sc=-0.00452 X(o=-0.0045,f=0) USER MOD Single : A 113 THR OG1 : rot -143:sc= 0.687 USER MOD Single : A 114 ASN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 117 MET CE :methyl 139:sc= -2.34! (180deg=-5.55!) USER MOD Single : A 118 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 MET CE :methyl -138:sc= -0.153 (180deg=-0.776) USER MOD Single : A 124 SER OG : rot 94:sc= 1.14 USER MOD ----------------------------------------------------------------- ATOM 81 N ILE A 8 8.664 8.496 -3.953 1.00 0.00 N ATOM 82 CA ILE A 8 7.941 9.413 -3.074 1.00 0.00 C ATOM 83 C ILE A 8 7.498 10.674 -3.827 1.00 0.00 C ATOM 84 O ILE A 8 6.742 11.496 -3.310 1.00 0.00 O ATOM 85 CB ILE A 8 8.827 9.788 -1.859 1.00 0.00 C ATOM 86 CG1 ILE A 8 8.063 10.650 -0.852 1.00 0.00 C ATOM 87 CG2 ILE A 8 10.090 10.507 -2.321 1.00 0.00 C ATOM 88 CD1 ILE A 8 8.773 10.788 0.473 1.00 0.00 C ATOM 0 HA ILE A 8 7.043 8.909 -2.718 1.00 0.00 H new ATOM 0 HB ILE A 8 9.111 8.862 -1.358 1.00 0.00 H new ATOM 0 HG12 ILE A 8 7.906 11.641 -1.278 1.00 0.00 H new ATOM 0 HG13 ILE A 8 7.078 10.215 -0.685 1.00 0.00 H new ATOM 0 HG21 ILE A 8 10.700 10.763 -1.455 1.00 0.00 H new ATOM 0 HG22 ILE A 8 10.658 9.855 -2.985 1.00 0.00 H new ATOM 0 HG23 ILE A 8 9.816 11.418 -2.854 1.00 0.00 H new ATOM 0 HD11 ILE A 8 8.178 11.411 1.141 1.00 0.00 H new ATOM 0 HD12 ILE A 8 8.906 9.802 0.919 1.00 0.00 H new ATOM 0 HD13 ILE A 8 9.748 11.251 0.317 1.00 0.00 H new ATOM 100 N TRP A 9 7.945 10.801 -5.070 1.00 0.00 N ATOM 101 CA TRP A 9 7.629 11.967 -5.888 1.00 0.00 C ATOM 102 C TRP A 9 6.281 11.804 -6.592 1.00 0.00 C ATOM 103 O TRP A 9 5.944 12.576 -7.485 1.00 0.00 O ATOM 104 CB TRP A 9 8.716 12.187 -6.941 1.00 0.00 C ATOM 105 CG TRP A 9 10.082 12.448 -6.381 1.00 0.00 C ATOM 106 CD1 TRP A 9 11.071 11.531 -6.181 1.00 0.00 C ATOM 107 CD2 TRP A 9 10.616 13.711 -5.966 1.00 0.00 C ATOM 108 NE1 TRP A 9 12.185 12.141 -5.666 1.00 0.00 N ATOM 109 CE2 TRP A 9 11.931 13.482 -5.522 1.00 0.00 C ATOM 110 CE3 TRP A 9 10.108 15.013 -5.924 1.00 0.00 C ATOM 111 CZ2 TRP A 9 12.746 14.509 -5.046 1.00 0.00 C ATOM 112 CZ3 TRP A 9 10.916 16.030 -5.449 1.00 0.00 C ATOM 113 CH2 TRP A 9 12.222 15.773 -5.015 1.00 0.00 C ATOM 0 H TRP A 9 8.530 10.108 -5.536 1.00 0.00 H new ATOM 0 HA TRP A 9 7.577 12.829 -5.223 1.00 0.00 H new ATOM 0 HB2 TRP A 9 8.763 11.309 -7.585 1.00 0.00 H new ATOM 0 HB3 TRP A 9 8.429 13.029 -7.571 1.00 0.00 H new ATOM 0 HD1 TRP A 9 10.988 10.476 -6.397 1.00 0.00 H new ATOM 0 HE1 TRP A 9 13.060 11.674 -5.428 1.00 0.00 H new ATOM 0 HE3 TRP A 9 9.102 15.221 -6.257 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 13.755 14.314 -4.714 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 10.533 17.039 -5.412 1.00 0.00 H new ATOM 0 HH2 TRP A 9 12.828 16.588 -4.648 1.00 0.00 H new ATOM 124 N THR A 10 5.520 10.799 -6.186 1.00 0.00 N ATOM 125 CA THR A 10 4.244 10.501 -6.823 1.00 0.00 C ATOM 126 C THR A 10 3.115 11.377 -6.284 1.00 0.00 C ATOM 127 O THR A 10 2.045 11.468 -6.889 1.00 0.00 O ATOM 128 CB THR A 10 3.884 9.018 -6.642 1.00 0.00 C ATOM 129 OG1 THR A 10 4.177 8.607 -5.297 1.00 0.00 O ATOM 130 CG2 THR A 10 4.659 8.158 -7.630 1.00 0.00 C ATOM 0 H THR A 10 5.763 10.174 -5.417 1.00 0.00 H new ATOM 0 HA THR A 10 4.358 10.720 -7.885 1.00 0.00 H new ATOM 0 HB THR A 10 2.818 8.890 -6.832 1.00 0.00 H new ATOM 0 HG1 THR A 10 3.944 7.662 -5.186 1.00 0.00 H new ATOM 0 HG21 THR A 10 4.392 7.111 -7.488 1.00 0.00 H new ATOM 0 HG22 THR A 10 4.412 8.461 -8.648 1.00 0.00 H new ATOM 0 HG23 THR A 10 5.728 8.286 -7.463 1.00 0.00 H new ATOM 138 N ASN A 11 3.354 12.019 -5.152 1.00 0.00 N ATOM 139 CA ASN A 11 2.372 12.917 -4.566 1.00 0.00 C ATOM 140 C ASN A 11 3.050 14.193 -4.098 1.00 0.00 C ATOM 141 O ASN A 11 3.940 14.154 -3.246 1.00 0.00 O ATOM 142 CB ASN A 11 1.636 12.242 -3.400 1.00 0.00 C ATOM 143 CG ASN A 11 0.627 13.161 -2.725 1.00 0.00 C ATOM 144 OD1 ASN A 11 0.090 14.079 -3.344 1.00 0.00 O ATOM 145 ND2 ASN A 11 0.350 12.916 -1.453 1.00 0.00 N ATOM 0 H ASN A 11 4.220 11.935 -4.620 1.00 0.00 H new ATOM 0 HA ASN A 11 1.635 13.166 -5.329 1.00 0.00 H new ATOM 0 HB2 ASN A 11 1.122 11.354 -3.767 1.00 0.00 H new ATOM 0 HB3 ASN A 11 2.365 11.907 -2.662 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -0.327 13.497 -0.957 1.00 0.00 H new ATOM 0 HD22 ASN A 11 0.813 12.147 -0.969 1.00 0.00 H new ATOM 152 N PRO A 12 2.653 15.335 -4.681 1.00 0.00 N ATOM 153 CA PRO A 12 3.198 16.650 -4.341 1.00 0.00 C ATOM 154 C PRO A 12 3.323 16.881 -2.838 1.00 0.00 C ATOM 155 O PRO A 12 4.376 17.297 -2.351 1.00 0.00 O ATOM 156 CB PRO A 12 2.178 17.612 -4.945 1.00 0.00 C ATOM 157 CG PRO A 12 1.641 16.886 -6.128 1.00 0.00 C ATOM 158 CD PRO A 12 1.649 15.424 -5.761 1.00 0.00 C ATOM 0 HA PRO A 12 4.213 16.774 -4.719 1.00 0.00 H new ATOM 0 HB2 PRO A 12 1.388 17.852 -4.233 1.00 0.00 H new ATOM 0 HB3 PRO A 12 2.643 18.554 -5.234 1.00 0.00 H new ATOM 0 HG2 PRO A 12 0.632 17.222 -6.367 1.00 0.00 H new ATOM 0 HG3 PRO A 12 2.255 17.070 -7.010 1.00 0.00 H new ATOM 0 HD2 PRO A 12 0.668 15.092 -5.423 1.00 0.00 H new ATOM 0 HD3 PRO A 12 1.921 14.800 -6.612 1.00 0.00 H new ATOM 166 N ASN A 13 2.258 16.587 -2.103 1.00 0.00 N ATOM 167 CA ASN A 13 2.247 16.817 -0.662 1.00 0.00 C ATOM 168 C ASN A 13 3.228 15.887 0.038 1.00 0.00 C ATOM 169 O ASN A 13 3.868 16.266 1.015 1.00 0.00 O ATOM 170 CB ASN A 13 0.839 16.621 -0.095 1.00 0.00 C ATOM 171 CG ASN A 13 0.707 17.133 1.330 1.00 0.00 C ATOM 172 OD1 ASN A 13 0.435 18.313 1.554 1.00 0.00 O ATOM 173 ND2 ASN A 13 0.873 16.253 2.305 1.00 0.00 N ATOM 0 H ASN A 13 1.395 16.191 -2.477 1.00 0.00 H new ATOM 0 HA ASN A 13 2.555 17.847 -0.481 1.00 0.00 H new ATOM 0 HB2 ASN A 13 0.120 17.137 -0.731 1.00 0.00 H new ATOM 0 HB3 ASN A 13 0.585 15.561 -0.122 1.00 0.00 H new ATOM 0 HD21 ASN A 13 0.776 16.545 3.277 1.00 0.00 H new ATOM 0 HD22 ASN A 13 1.098 15.283 2.084 1.00 0.00 H new ATOM 180 N ALA A 14 3.362 14.675 -0.485 1.00 0.00 N ATOM 181 CA ALA A 14 4.263 13.685 0.089 1.00 0.00 C ATOM 182 C ALA A 14 5.715 14.090 -0.128 1.00 0.00 C ATOM 183 O ALA A 14 6.518 14.096 0.805 1.00 0.00 O ATOM 184 CB ALA A 14 4.004 12.321 -0.525 1.00 0.00 C ATOM 0 H ALA A 14 2.855 14.353 -1.310 1.00 0.00 H new ATOM 0 HA ALA A 14 4.076 13.631 1.161 1.00 0.00 H new ATOM 0 HB1 ALA A 14 4.684 11.590 -0.087 1.00 0.00 H new ATOM 0 HB2 ALA A 14 2.974 12.023 -0.327 1.00 0.00 H new ATOM 0 HB3 ALA A 14 4.167 12.370 -1.602 1.00 0.00 H new ATOM 190 N ALA A 15 6.035 14.444 -1.366 1.00 0.00 N ATOM 191 CA ALA A 15 7.389 14.830 -1.730 1.00 0.00 C ATOM 192 C ALA A 15 7.806 16.107 -1.015 1.00 0.00 C ATOM 193 O ALA A 15 8.905 16.195 -0.474 1.00 0.00 O ATOM 194 CB ALA A 15 7.501 15.006 -3.237 1.00 0.00 C ATOM 0 H ALA A 15 5.369 14.471 -2.138 1.00 0.00 H new ATOM 0 HA ALA A 15 8.064 14.033 -1.417 1.00 0.00 H new ATOM 0 HB1 ALA A 15 8.520 15.295 -3.495 1.00 0.00 H new ATOM 0 HB2 ALA A 15 7.254 14.067 -3.732 1.00 0.00 H new ATOM 0 HB3 ALA A 15 6.810 15.782 -3.565 1.00 0.00 H new ATOM 200 N MET A 16 6.915 17.089 -0.999 1.00 0.00 N ATOM 201 CA MET A 16 7.198 18.362 -0.347 1.00 0.00 C ATOM 202 C MET A 16 7.427 18.173 1.150 1.00 0.00 C ATOM 203 O MET A 16 8.245 18.864 1.750 1.00 0.00 O ATOM 204 CB MET A 16 6.049 19.341 -0.587 1.00 0.00 C ATOM 205 CG MET A 16 6.391 20.523 -1.484 1.00 0.00 C ATOM 206 SD MET A 16 7.590 21.671 -0.768 1.00 0.00 S ATOM 207 CE MET A 16 9.133 21.068 -1.451 1.00 0.00 C ATOM 0 H MET A 16 5.992 17.030 -1.429 1.00 0.00 H new ATOM 0 HA MET A 16 8.111 18.771 -0.779 1.00 0.00 H new ATOM 0 HB2 MET A 16 5.214 18.797 -1.029 1.00 0.00 H new ATOM 0 HB3 MET A 16 5.708 19.721 0.376 1.00 0.00 H new ATOM 0 HG2 MET A 16 6.784 20.147 -2.429 1.00 0.00 H new ATOM 0 HG3 MET A 16 5.475 21.068 -1.714 1.00 0.00 H new ATOM 0 HE1 MET A 16 9.892 21.044 -0.669 1.00 0.00 H new ATOM 0 HE2 MET A 16 8.988 20.063 -1.846 1.00 0.00 H new ATOM 0 HE3 MET A 16 9.459 21.730 -2.254 1.00 0.00 H new ATOM 217 N THR A 17 6.719 17.215 1.739 1.00 0.00 N ATOM 218 CA THR A 17 6.850 16.932 3.161 1.00 0.00 C ATOM 219 C THR A 17 8.285 16.546 3.530 1.00 0.00 C ATOM 220 O THR A 17 8.853 17.094 4.474 1.00 0.00 O ATOM 221 CB THR A 17 5.877 15.817 3.601 1.00 0.00 C ATOM 222 OG1 THR A 17 4.531 16.300 3.535 1.00 0.00 O ATOM 223 CG2 THR A 17 6.176 15.339 5.017 1.00 0.00 C ATOM 0 H THR A 17 6.048 16.621 1.251 1.00 0.00 H new ATOM 0 HA THR A 17 6.595 17.849 3.691 1.00 0.00 H new ATOM 0 HB THR A 17 6.006 14.972 2.924 1.00 0.00 H new ATOM 0 HG1 THR A 17 4.161 16.117 2.646 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.471 14.554 5.293 1.00 0.00 H new ATOM 0 HG22 THR A 17 7.192 14.946 5.062 1.00 0.00 H new ATOM 0 HG23 THR A 17 6.079 16.174 5.711 1.00 0.00 H new ATOM 231 N MET A 18 8.881 15.626 2.777 1.00 0.00 N ATOM 232 CA MET A 18 10.232 15.165 3.091 1.00 0.00 C ATOM 233 C MET A 18 11.262 16.250 2.797 1.00 0.00 C ATOM 234 O MET A 18 12.300 16.327 3.455 1.00 0.00 O ATOM 235 CB MET A 18 10.565 13.859 2.349 1.00 0.00 C ATOM 236 CG MET A 18 10.454 13.924 0.831 1.00 0.00 C ATOM 237 SD MET A 18 11.892 14.658 0.033 1.00 0.00 S ATOM 238 CE MET A 18 11.446 14.445 -1.690 1.00 0.00 C ATOM 0 H MET A 18 8.459 15.190 1.957 1.00 0.00 H new ATOM 0 HA MET A 18 10.271 14.951 4.159 1.00 0.00 H new ATOM 0 HB2 MET A 18 11.581 13.562 2.610 1.00 0.00 H new ATOM 0 HB3 MET A 18 9.900 13.075 2.712 1.00 0.00 H new ATOM 0 HG2 MET A 18 10.308 12.916 0.442 1.00 0.00 H new ATOM 0 HG3 MET A 18 9.568 14.500 0.564 1.00 0.00 H new ATOM 0 HE1 MET A 18 12.263 13.955 -2.219 1.00 0.00 H new ATOM 0 HE2 MET A 18 10.548 13.831 -1.760 1.00 0.00 H new ATOM 0 HE3 MET A 18 11.255 15.419 -2.140 1.00 0.00 H new ATOM 248 N THR A 19 10.957 17.100 1.829 1.00 0.00 N ATOM 249 CA THR A 19 11.811 18.228 1.505 1.00 0.00 C ATOM 250 C THR A 19 11.816 19.249 2.647 1.00 0.00 C ATOM 251 O THR A 19 12.873 19.673 3.120 1.00 0.00 O ATOM 252 CB THR A 19 11.324 18.908 0.216 1.00 0.00 C ATOM 253 OG1 THR A 19 11.246 17.946 -0.843 1.00 0.00 O ATOM 254 CG2 THR A 19 12.245 20.045 -0.189 1.00 0.00 C ATOM 0 H THR A 19 10.119 17.028 1.252 1.00 0.00 H new ATOM 0 HA THR A 19 12.825 17.855 1.359 1.00 0.00 H new ATOM 0 HB THR A 19 10.334 19.324 0.406 1.00 0.00 H new ATOM 0 HG1 THR A 19 10.464 17.371 -0.706 1.00 0.00 H new ATOM 0 HG21 THR A 19 11.873 20.506 -1.104 1.00 0.00 H new ATOM 0 HG22 THR A 19 12.275 20.790 0.606 1.00 0.00 H new ATOM 0 HG23 THR A 19 13.249 19.657 -0.360 1.00 0.00 H new ATOM 262 N ASN A 20 10.624 19.620 3.099 1.00 0.00 N ATOM 263 CA ASN A 20 10.469 20.628 4.137 1.00 0.00 C ATOM 264 C ASN A 20 10.970 20.122 5.486 1.00 0.00 C ATOM 265 O ASN A 20 11.544 20.883 6.264 1.00 0.00 O ATOM 266 CB ASN A 20 9.005 21.046 4.242 1.00 0.00 C ATOM 267 CG ASN A 20 8.544 21.854 3.044 1.00 0.00 C ATOM 268 OD1 ASN A 20 9.293 22.663 2.494 1.00 0.00 O ATOM 269 ND2 ASN A 20 7.321 21.611 2.610 1.00 0.00 N ATOM 0 H ASN A 20 9.744 19.233 2.758 1.00 0.00 H new ATOM 0 HA ASN A 20 11.073 21.492 3.861 1.00 0.00 H new ATOM 0 HB2 ASN A 20 8.382 20.156 4.337 1.00 0.00 H new ATOM 0 HB3 ASN A 20 8.862 21.634 5.149 1.00 0.00 H new ATOM 0 HD21 ASN A 20 6.964 22.101 1.790 1.00 0.00 H new ATOM 0 HD22 ASN A 20 6.733 20.933 3.095 1.00 0.00 H new ATOM 276 N ASN A 21 10.770 18.835 5.756 1.00 0.00 N ATOM 277 CA ASN A 21 11.236 18.245 7.007 1.00 0.00 C ATOM 278 C ASN A 21 12.761 18.231 7.066 1.00 0.00 C ATOM 279 O ASN A 21 13.352 18.245 8.149 1.00 0.00 O ATOM 280 CB ASN A 21 10.685 16.829 7.196 1.00 0.00 C ATOM 281 CG ASN A 21 9.230 16.813 7.635 1.00 0.00 C ATOM 282 OD1 ASN A 21 8.747 17.749 8.270 1.00 0.00 O ATOM 283 ND2 ASN A 21 8.528 15.734 7.319 1.00 0.00 N ATOM 0 H ASN A 21 10.292 18.185 5.131 1.00 0.00 H new ATOM 0 HA ASN A 21 10.861 18.865 7.821 1.00 0.00 H new ATOM 0 HB2 ASN A 21 10.783 16.279 6.260 1.00 0.00 H new ATOM 0 HB3 ASN A 21 11.289 16.306 7.938 1.00 0.00 H new ATOM 0 HD21 ASN A 21 7.551 15.659 7.604 1.00 0.00 H new ATOM 0 HD22 ASN A 21 8.964 14.978 6.791 1.00 0.00 H new ATOM 290 N LEU A 22 13.397 18.215 5.901 1.00 0.00 N ATOM 291 CA LEU A 22 14.845 18.326 5.822 1.00 0.00 C ATOM 292 C LEU A 22 15.272 19.736 6.209 1.00 0.00 C ATOM 293 O LEU A 22 16.186 19.926 7.013 1.00 0.00 O ATOM 294 CB LEU A 22 15.336 17.995 4.408 1.00 0.00 C ATOM 295 CG LEU A 22 16.832 18.222 4.163 1.00 0.00 C ATOM 296 CD1 LEU A 22 17.672 17.338 5.072 1.00 0.00 C ATOM 297 CD2 LEU A 22 17.175 17.967 2.703 1.00 0.00 C ATOM 0 H LEU A 22 12.931 18.126 4.998 1.00 0.00 H new ATOM 0 HA LEU A 22 15.290 17.612 6.514 1.00 0.00 H new ATOM 0 HB2 LEU A 22 15.104 16.951 4.196 1.00 0.00 H new ATOM 0 HB3 LEU A 22 14.773 18.597 3.695 1.00 0.00 H new ATOM 0 HG LEU A 22 17.062 19.261 4.397 1.00 0.00 H new ATOM 0 HD11 LEU A 22 18.729 17.518 4.879 1.00 0.00 H new ATOM 0 HD12 LEU A 22 17.449 17.571 6.113 1.00 0.00 H new ATOM 0 HD13 LEU A 22 17.440 16.291 4.876 1.00 0.00 H new ATOM 0 HD21 LEU A 22 18.241 18.132 2.545 1.00 0.00 H new ATOM 0 HD22 LEU A 22 16.925 16.938 2.445 1.00 0.00 H new ATOM 0 HD23 LEU A 22 16.605 18.648 2.071 1.00 0.00 H new ATOM 309 N VAL A 23 14.577 20.716 5.647 1.00 0.00 N ATOM 310 CA VAL A 23 14.870 22.120 5.904 1.00 0.00 C ATOM 311 C VAL A 23 14.652 22.466 7.374 1.00 0.00 C ATOM 312 O VAL A 23 15.515 23.079 8.004 1.00 0.00 O ATOM 313 CB VAL A 23 14.002 23.048 5.029 1.00 0.00 C ATOM 314 CG1 VAL A 23 14.329 24.512 5.294 1.00 0.00 C ATOM 315 CG2 VAL A 23 14.192 22.720 3.559 1.00 0.00 C ATOM 0 H VAL A 23 13.800 20.562 5.005 1.00 0.00 H new ATOM 0 HA VAL A 23 15.918 22.276 5.650 1.00 0.00 H new ATOM 0 HB VAL A 23 12.957 22.882 5.292 1.00 0.00 H new ATOM 0 HG11 VAL A 23 13.703 25.144 4.664 1.00 0.00 H new ATOM 0 HG12 VAL A 23 14.140 24.743 6.342 1.00 0.00 H new ATOM 0 HG13 VAL A 23 15.378 24.698 5.065 1.00 0.00 H new ATOM 0 HG21 VAL A 23 13.573 23.383 2.955 1.00 0.00 H new ATOM 0 HG22 VAL A 23 15.239 22.855 3.288 1.00 0.00 H new ATOM 0 HG23 VAL A 23 13.901 21.686 3.376 1.00 0.00 H new ATOM 325 N GLN A 24 13.510 22.053 7.922 1.00 0.00 N ATOM 326 CA GLN A 24 13.175 22.359 9.312 1.00 0.00 C ATOM 327 C GLN A 24 14.210 21.760 10.264 1.00 0.00 C ATOM 328 O GLN A 24 14.478 22.312 11.332 1.00 0.00 O ATOM 329 CB GLN A 24 11.756 21.865 9.656 1.00 0.00 C ATOM 330 CG GLN A 24 11.576 20.351 9.643 1.00 0.00 C ATOM 331 CD GLN A 24 11.916 19.685 10.967 1.00 0.00 C ATOM 332 OE1 GLN A 24 11.732 20.263 12.038 1.00 0.00 O ATOM 333 NE2 GLN A 24 12.423 18.461 10.900 1.00 0.00 N ATOM 0 H GLN A 24 12.804 21.508 7.427 1.00 0.00 H new ATOM 0 HA GLN A 24 13.192 23.442 9.435 1.00 0.00 H new ATOM 0 HB2 GLN A 24 11.488 22.238 10.644 1.00 0.00 H new ATOM 0 HB3 GLN A 24 11.054 22.305 8.948 1.00 0.00 H new ATOM 0 HG2 GLN A 24 10.543 20.119 9.384 1.00 0.00 H new ATOM 0 HG3 GLN A 24 12.204 19.926 8.860 1.00 0.00 H new ATOM 0 HE21 GLN A 24 12.561 18.015 9.993 1.00 0.00 H new ATOM 0 HE22 GLN A 24 12.675 17.966 11.755 1.00 0.00 H new ATOM 342 N CYS A 25 14.802 20.645 9.854 1.00 0.00 N ATOM 343 CA CYS A 25 15.812 19.970 10.656 1.00 0.00 C ATOM 344 C CYS A 25 17.142 20.711 10.567 1.00 0.00 C ATOM 345 O CYS A 25 17.760 21.022 11.587 1.00 0.00 O ATOM 346 CB CYS A 25 15.975 18.520 10.182 1.00 0.00 C ATOM 347 SG CYS A 25 17.096 17.508 11.204 1.00 0.00 S ATOM 0 H CYS A 25 14.598 20.188 8.965 1.00 0.00 H new ATOM 0 HA CYS A 25 15.489 19.965 11.697 1.00 0.00 H new ATOM 0 HB2 CYS A 25 14.994 18.045 10.163 1.00 0.00 H new ATOM 0 HB3 CYS A 25 16.346 18.526 9.157 1.00 0.00 H new ATOM 352 N ALA A 26 17.565 21.021 9.345 1.00 0.00 N ATOM 353 CA ALA A 26 18.835 21.698 9.123 1.00 0.00 C ATOM 354 C ALA A 26 18.821 23.118 9.685 1.00 0.00 C ATOM 355 O ALA A 26 19.850 23.627 10.124 1.00 0.00 O ATOM 356 CB ALA A 26 19.166 21.718 7.640 1.00 0.00 C ATOM 0 H ALA A 26 17.044 20.813 8.493 1.00 0.00 H new ATOM 0 HA ALA A 26 19.608 21.141 9.653 1.00 0.00 H new ATOM 0 HB1 ALA A 26 20.118 22.227 7.486 1.00 0.00 H new ATOM 0 HB2 ALA A 26 19.237 20.695 7.269 1.00 0.00 H new ATOM 0 HB3 ALA A 26 18.381 22.246 7.099 1.00 0.00 H new ATOM 362 N SER A 27 17.651 23.746 9.682 1.00 0.00 N ATOM 363 CA SER A 27 17.505 25.104 10.190 1.00 0.00 C ATOM 364 C SER A 27 17.608 25.126 11.713 1.00 0.00 C ATOM 365 O SER A 27 17.784 26.181 12.319 1.00 0.00 O ATOM 366 CB SER A 27 16.158 25.689 9.754 1.00 0.00 C ATOM 367 OG SER A 27 16.064 27.072 10.072 1.00 0.00 O ATOM 0 H SER A 27 16.786 23.334 9.332 1.00 0.00 H new ATOM 0 HA SER A 27 18.311 25.711 9.777 1.00 0.00 H new ATOM 0 HB2 SER A 27 16.031 25.552 8.680 1.00 0.00 H new ATOM 0 HB3 SER A 27 15.349 25.146 10.243 1.00 0.00 H new ATOM 0 HG SER A 27 16.520 27.244 10.922 1.00 0.00 H new ATOM 373 N ARG A 28 17.490 23.958 12.328 1.00 0.00 N ATOM 374 CA ARG A 28 17.541 23.854 13.776 1.00 0.00 C ATOM 375 C ARG A 28 18.778 23.083 14.224 1.00 0.00 C ATOM 376 O ARG A 28 18.918 22.742 15.401 1.00 0.00 O ATOM 377 CB ARG A 28 16.282 23.178 14.296 1.00 0.00 C ATOM 378 CG ARG A 28 15.022 23.983 14.051 1.00 0.00 C ATOM 379 CD ARG A 28 13.867 23.405 14.832 1.00 0.00 C ATOM 380 NE ARG A 28 12.566 23.792 14.276 1.00 0.00 N ATOM 381 CZ ARG A 28 11.848 24.835 14.691 1.00 0.00 C ATOM 382 NH1 ARG A 28 12.310 25.629 15.647 1.00 0.00 N ATOM 383 NH2 ARG A 28 10.666 25.089 14.142 1.00 0.00 N ATOM 0 H ARG A 28 17.358 23.069 11.845 1.00 0.00 H new ATOM 0 HA ARG A 28 17.600 24.861 14.190 1.00 0.00 H new ATOM 0 HB2 ARG A 28 16.179 22.203 13.820 1.00 0.00 H new ATOM 0 HB3 ARG A 28 16.389 23.001 15.366 1.00 0.00 H new ATOM 0 HG2 ARG A 28 15.183 25.021 14.343 1.00 0.00 H new ATOM 0 HG3 ARG A 28 14.785 23.984 12.987 1.00 0.00 H new ATOM 0 HD2 ARG A 28 13.946 22.318 14.841 1.00 0.00 H new ATOM 0 HD3 ARG A 28 13.930 23.738 15.868 1.00 0.00 H new ATOM 0 HE ARG A 28 12.185 23.224 13.520 1.00 0.00 H new ATOM 0 HH11 ARG A 28 13.220 25.443 16.069 1.00 0.00 H new ATOM 0 HH12 ARG A 28 11.756 26.426 15.960 1.00 0.00 H new ATOM 0 HH21 ARG A 28 10.307 24.486 13.402 1.00 0.00 H new ATOM 0 HH22 ARG A 28 10.117 25.888 14.460 1.00 0.00 H new ATOM 397 N SER A 29 19.683 22.832 13.283 1.00 0.00 N ATOM 398 CA SER A 29 20.864 22.023 13.550 1.00 0.00 C ATOM 399 C SER A 29 21.844 22.753 14.462 1.00 0.00 C ATOM 400 O SER A 29 22.286 22.214 15.474 1.00 0.00 O ATOM 401 CB SER A 29 21.559 21.651 12.235 1.00 0.00 C ATOM 402 OG SER A 29 21.961 22.812 11.518 1.00 0.00 O ATOM 0 H SER A 29 19.619 23.179 12.326 1.00 0.00 H new ATOM 0 HA SER A 29 20.537 21.115 14.058 1.00 0.00 H new ATOM 0 HB2 SER A 29 22.430 21.030 12.444 1.00 0.00 H new ATOM 0 HB3 SER A 29 20.884 21.056 11.620 1.00 0.00 H new ATOM 0 HG SER A 29 21.247 23.081 10.903 1.00 0.00 H new ATOM 408 N GLY A 30 22.172 23.985 14.099 1.00 0.00 N ATOM 409 CA GLY A 30 23.180 24.726 14.829 1.00 0.00 C ATOM 410 C GLY A 30 24.561 24.461 14.275 1.00 0.00 C ATOM 411 O GLY A 30 25.566 24.936 14.809 1.00 0.00 O ATOM 0 H GLY A 30 21.758 24.484 13.312 1.00 0.00 H new ATOM 0 HA2 GLY A 30 22.962 25.793 14.774 1.00 0.00 H new ATOM 0 HA3 GLY A 30 23.148 24.448 15.882 1.00 0.00 H new ATOM 415 N VAL A 31 24.604 23.685 13.203 1.00 0.00 N ATOM 416 CA VAL A 31 25.852 23.350 12.539 1.00 0.00 C ATOM 417 C VAL A 31 26.055 24.257 11.331 1.00 0.00 C ATOM 418 O VAL A 31 27.171 24.691 11.032 1.00 0.00 O ATOM 419 CB VAL A 31 25.855 21.876 12.084 1.00 0.00 C ATOM 420 CG1 VAL A 31 27.208 21.497 11.509 1.00 0.00 C ATOM 421 CG2 VAL A 31 25.484 20.950 13.235 1.00 0.00 C ATOM 0 H VAL A 31 23.778 23.272 12.771 1.00 0.00 H new ATOM 0 HA VAL A 31 26.667 23.496 13.248 1.00 0.00 H new ATOM 0 HB VAL A 31 25.104 21.762 11.302 1.00 0.00 H new ATOM 0 HG11 VAL A 31 27.190 20.454 11.194 1.00 0.00 H new ATOM 0 HG12 VAL A 31 27.429 22.132 10.651 1.00 0.00 H new ATOM 0 HG13 VAL A 31 27.977 21.633 12.269 1.00 0.00 H new ATOM 0 HG21 VAL A 31 25.493 19.917 12.888 1.00 0.00 H new ATOM 0 HG22 VAL A 31 26.205 21.068 14.044 1.00 0.00 H new ATOM 0 HG23 VAL A 31 24.488 21.202 13.598 1.00 0.00 H new ATOM 431 N LEU A 32 24.958 24.545 10.647 1.00 0.00 N ATOM 432 CA LEU A 32 24.978 25.436 9.500 1.00 0.00 C ATOM 433 C LEU A 32 24.868 26.878 9.975 1.00 0.00 C ATOM 434 O LEU A 32 24.421 27.133 11.096 1.00 0.00 O ATOM 435 CB LEU A 32 23.825 25.112 8.535 1.00 0.00 C ATOM 436 CG LEU A 32 23.935 23.792 7.754 1.00 0.00 C ATOM 437 CD1 LEU A 32 23.778 22.587 8.670 1.00 0.00 C ATOM 438 CD2 LEU A 32 22.892 23.750 6.647 1.00 0.00 C ATOM 0 H LEU A 32 24.036 24.170 10.870 1.00 0.00 H new ATOM 0 HA LEU A 32 25.918 25.297 8.966 1.00 0.00 H new ATOM 0 HB2 LEU A 32 22.897 25.094 9.106 1.00 0.00 H new ATOM 0 HB3 LEU A 32 23.742 25.928 7.817 1.00 0.00 H new ATOM 0 HG LEU A 32 24.930 23.747 7.312 1.00 0.00 H new ATOM 0 HD11 LEU A 32 23.861 21.671 8.084 1.00 0.00 H new ATOM 0 HD12 LEU A 32 24.559 22.604 9.430 1.00 0.00 H new ATOM 0 HD13 LEU A 32 22.801 22.622 9.152 1.00 0.00 H new ATOM 0 HD21 LEU A 32 22.979 22.811 6.100 1.00 0.00 H new ATOM 0 HD22 LEU A 32 21.896 23.825 7.083 1.00 0.00 H new ATOM 0 HD23 LEU A 32 23.053 24.584 5.964 1.00 0.00 H new ATOM 450 N THR A 33 25.267 27.820 9.132 1.00 0.00 N ATOM 451 CA THR A 33 25.229 29.225 9.501 1.00 0.00 C ATOM 452 C THR A 33 23.814 29.768 9.370 1.00 0.00 C ATOM 453 O THR A 33 22.954 29.131 8.758 1.00 0.00 O ATOM 454 CB THR A 33 26.178 30.066 8.627 1.00 0.00 C ATOM 455 OG1 THR A 33 25.797 29.970 7.249 1.00 0.00 O ATOM 456 CG2 THR A 33 27.617 29.605 8.788 1.00 0.00 C ATOM 0 H THR A 33 25.619 27.637 8.192 1.00 0.00 H new ATOM 0 HA THR A 33 25.558 29.298 10.538 1.00 0.00 H new ATOM 0 HB THR A 33 26.105 31.103 8.953 1.00 0.00 H new ATOM 0 HG1 THR A 33 26.406 30.510 6.703 1.00 0.00 H new ATOM 0 HG21 THR A 33 28.267 30.215 8.160 1.00 0.00 H new ATOM 0 HG22 THR A 33 27.918 29.709 9.831 1.00 0.00 H new ATOM 0 HG23 THR A 33 27.700 28.560 8.489 1.00 0.00 H new ATOM 464 N ALA A 34 23.576 30.945 9.935 1.00 0.00 N ATOM 465 CA ALA A 34 22.267 31.578 9.857 1.00 0.00 C ATOM 466 C ALA A 34 21.896 31.872 8.408 1.00 0.00 C ATOM 467 O ALA A 34 20.718 31.906 8.051 1.00 0.00 O ATOM 468 CB ALA A 34 22.232 32.850 10.687 1.00 0.00 C ATOM 0 H ALA A 34 24.273 31.480 10.452 1.00 0.00 H new ATOM 0 HA ALA A 34 21.531 30.885 10.265 1.00 0.00 H new ATOM 0 HB1 ALA A 34 21.244 33.305 10.613 1.00 0.00 H new ATOM 0 HB2 ALA A 34 22.444 32.611 11.729 1.00 0.00 H new ATOM 0 HB3 ALA A 34 22.982 33.548 10.315 1.00 0.00 H new ATOM 474 N ASP A 35 22.911 32.067 7.574 1.00 0.00 N ATOM 475 CA ASP A 35 22.696 32.282 6.149 1.00 0.00 C ATOM 476 C ASP A 35 22.422 30.953 5.468 1.00 0.00 C ATOM 477 O ASP A 35 21.425 30.793 4.768 1.00 0.00 O ATOM 478 CB ASP A 35 23.916 32.942 5.495 1.00 0.00 C ATOM 479 CG ASP A 35 24.117 34.383 5.909 1.00 0.00 C ATOM 480 OD1 ASP A 35 23.495 35.274 5.294 1.00 0.00 O ATOM 481 OD2 ASP A 35 24.915 34.633 6.838 1.00 0.00 O ATOM 0 H ASP A 35 23.890 32.081 7.860 1.00 0.00 H new ATOM 0 HA ASP A 35 21.840 32.947 6.033 1.00 0.00 H new ATOM 0 HB2 ASP A 35 24.809 32.371 5.751 1.00 0.00 H new ATOM 0 HB3 ASP A 35 23.807 32.895 4.411 1.00 0.00 H new ATOM 486 N GLN A 36 23.307 29.993 5.718 1.00 0.00 N ATOM 487 CA GLN A 36 23.257 28.684 5.072 1.00 0.00 C ATOM 488 C GLN A 36 21.936 27.971 5.358 1.00 0.00 C ATOM 489 O GLN A 36 21.395 27.276 4.498 1.00 0.00 O ATOM 490 CB GLN A 36 24.432 27.838 5.563 1.00 0.00 C ATOM 491 CG GLN A 36 24.734 26.619 4.712 1.00 0.00 C ATOM 492 CD GLN A 36 25.949 25.863 5.217 1.00 0.00 C ATOM 493 OE1 GLN A 36 26.846 26.446 5.821 1.00 0.00 O ATOM 494 NE2 GLN A 36 25.989 24.566 4.973 1.00 0.00 N ATOM 0 H GLN A 36 24.080 30.100 6.375 1.00 0.00 H new ATOM 0 HA GLN A 36 23.327 28.824 3.993 1.00 0.00 H new ATOM 0 HB2 GLN A 36 25.322 28.466 5.604 1.00 0.00 H new ATOM 0 HB3 GLN A 36 24.226 27.511 6.582 1.00 0.00 H new ATOM 0 HG2 GLN A 36 23.869 25.955 4.709 1.00 0.00 H new ATOM 0 HG3 GLN A 36 24.902 26.929 3.681 1.00 0.00 H new ATOM 0 HE21 GLN A 36 25.224 24.118 4.468 1.00 0.00 H new ATOM 0 HE22 GLN A 36 26.785 24.012 5.289 1.00 0.00 H new ATOM 503 N MET A 37 21.414 28.152 6.565 1.00 0.00 N ATOM 504 CA MET A 37 20.144 27.540 6.944 1.00 0.00 C ATOM 505 C MET A 37 18.978 28.183 6.194 1.00 0.00 C ATOM 506 O MET A 37 17.959 27.537 5.946 1.00 0.00 O ATOM 507 CB MET A 37 19.922 27.648 8.455 1.00 0.00 C ATOM 508 CG MET A 37 20.900 26.820 9.276 1.00 0.00 C ATOM 509 SD MET A 37 20.574 26.886 11.049 1.00 0.00 S ATOM 510 CE MET A 37 20.786 28.634 11.381 1.00 0.00 C ATOM 0 H MET A 37 21.848 28.715 7.297 1.00 0.00 H new ATOM 0 HA MET A 37 20.188 26.486 6.670 1.00 0.00 H new ATOM 0 HB2 MET A 37 20.005 28.693 8.752 1.00 0.00 H new ATOM 0 HB3 MET A 37 18.906 27.331 8.688 1.00 0.00 H new ATOM 0 HG2 MET A 37 20.856 25.783 8.944 1.00 0.00 H new ATOM 0 HG3 MET A 37 21.914 27.173 9.086 1.00 0.00 H new ATOM 0 HE1 MET A 37 20.686 28.816 12.451 1.00 0.00 H new ATOM 0 HE2 MET A 37 21.776 28.950 11.051 1.00 0.00 H new ATOM 0 HE3 MET A 37 20.026 29.201 10.844 1.00 0.00 H new ATOM 520 N ASP A 38 19.135 29.445 5.818 1.00 0.00 N ATOM 521 CA ASP A 38 18.091 30.155 5.089 1.00 0.00 C ATOM 522 C ASP A 38 18.166 29.812 3.606 1.00 0.00 C ATOM 523 O ASP A 38 17.144 29.734 2.918 1.00 0.00 O ATOM 524 CB ASP A 38 18.216 31.666 5.299 1.00 0.00 C ATOM 525 CG ASP A 38 17.059 32.436 4.692 1.00 0.00 C ATOM 526 OD1 ASP A 38 15.928 32.337 5.218 1.00 0.00 O ATOM 527 OD2 ASP A 38 17.268 33.141 3.684 1.00 0.00 O ATOM 0 H ASP A 38 19.972 29.997 6.005 1.00 0.00 H new ATOM 0 HA ASP A 38 17.121 29.840 5.474 1.00 0.00 H new ATOM 0 HB2 ASP A 38 18.268 31.878 6.367 1.00 0.00 H new ATOM 0 HB3 ASP A 38 19.150 32.014 4.859 1.00 0.00 H new ATOM 532 N ASP A 39 19.384 29.582 3.122 1.00 0.00 N ATOM 533 CA ASP A 39 19.593 29.131 1.747 1.00 0.00 C ATOM 534 C ASP A 39 18.882 27.804 1.515 1.00 0.00 C ATOM 535 O ASP A 39 18.379 27.536 0.423 1.00 0.00 O ATOM 536 CB ASP A 39 21.085 28.970 1.435 1.00 0.00 C ATOM 537 CG ASP A 39 21.839 30.282 1.389 1.00 0.00 C ATOM 538 OD1 ASP A 39 21.506 31.134 0.545 1.00 0.00 O ATOM 539 OD2 ASP A 39 22.782 30.459 2.189 1.00 0.00 O ATOM 0 H ASP A 39 20.242 29.700 3.661 1.00 0.00 H new ATOM 0 HA ASP A 39 19.180 29.890 1.083 1.00 0.00 H new ATOM 0 HB2 ASP A 39 21.538 28.326 2.189 1.00 0.00 H new ATOM 0 HB3 ASP A 39 21.195 28.464 0.476 1.00 0.00 H new ATOM 544 N MET A 40 18.841 26.980 2.560 1.00 0.00 N ATOM 545 CA MET A 40 18.135 25.704 2.519 1.00 0.00 C ATOM 546 C MET A 40 16.684 25.899 2.087 1.00 0.00 C ATOM 547 O MET A 40 16.171 25.167 1.243 1.00 0.00 O ATOM 548 CB MET A 40 18.170 25.038 3.897 1.00 0.00 C ATOM 549 CG MET A 40 19.555 24.592 4.336 1.00 0.00 C ATOM 550 SD MET A 40 20.148 23.159 3.417 1.00 0.00 S ATOM 551 CE MET A 40 18.985 21.902 3.947 1.00 0.00 C ATOM 0 H MET A 40 19.293 27.177 3.453 1.00 0.00 H new ATOM 0 HA MET A 40 18.635 25.064 1.792 1.00 0.00 H new ATOM 0 HB2 MET A 40 17.773 25.735 4.635 1.00 0.00 H new ATOM 0 HB3 MET A 40 17.507 24.173 3.887 1.00 0.00 H new ATOM 0 HG2 MET A 40 20.256 25.417 4.207 1.00 0.00 H new ATOM 0 HG3 MET A 40 19.535 24.354 5.399 1.00 0.00 H new ATOM 0 HE1 MET A 40 19.527 20.997 4.221 1.00 0.00 H new ATOM 0 HE2 MET A 40 18.425 22.265 4.809 1.00 0.00 H new ATOM 0 HE3 MET A 40 18.295 21.679 3.133 1.00 0.00 H new ATOM 561 N GLY A 41 16.037 26.904 2.657 1.00 0.00 N ATOM 562 CA GLY A 41 14.642 27.153 2.355 1.00 0.00 C ATOM 563 C GLY A 41 14.435 27.677 0.949 1.00 0.00 C ATOM 564 O GLY A 41 13.386 27.448 0.343 1.00 0.00 O ATOM 0 H GLY A 41 16.453 27.553 3.325 1.00 0.00 H new ATOM 0 HA2 GLY A 41 14.076 26.230 2.482 1.00 0.00 H new ATOM 0 HA3 GLY A 41 14.242 27.873 3.069 1.00 0.00 H new ATOM 568 N MET A 42 15.442 28.361 0.419 1.00 0.00 N ATOM 569 CA MET A 42 15.344 28.937 -0.914 1.00 0.00 C ATOM 570 C MET A 42 15.325 27.853 -1.982 1.00 0.00 C ATOM 571 O MET A 42 14.578 27.953 -2.955 1.00 0.00 O ATOM 572 CB MET A 42 16.484 29.924 -1.183 1.00 0.00 C ATOM 573 CG MET A 42 16.413 31.184 -0.337 1.00 0.00 C ATOM 574 SD MET A 42 17.387 32.544 -1.015 1.00 0.00 S ATOM 575 CE MET A 42 19.011 31.798 -1.118 1.00 0.00 C ATOM 0 H MET A 42 16.331 28.529 0.890 1.00 0.00 H new ATOM 0 HA MET A 42 14.402 29.484 -0.959 1.00 0.00 H new ATOM 0 HB2 MET A 42 17.436 29.426 -0.998 1.00 0.00 H new ATOM 0 HB3 MET A 42 16.470 30.203 -2.237 1.00 0.00 H new ATOM 0 HG2 MET A 42 15.373 31.498 -0.249 1.00 0.00 H new ATOM 0 HG3 MET A 42 16.764 30.959 0.670 1.00 0.00 H new ATOM 0 HE1 MET A 42 19.730 32.415 -0.578 1.00 0.00 H new ATOM 0 HE2 MET A 42 18.983 30.802 -0.676 1.00 0.00 H new ATOM 0 HE3 MET A 42 19.311 31.722 -2.163 1.00 0.00 H new ATOM 585 N MET A 43 16.118 26.802 -1.798 1.00 0.00 N ATOM 586 CA MET A 43 16.163 25.739 -2.785 1.00 0.00 C ATOM 587 C MET A 43 14.950 24.834 -2.633 1.00 0.00 C ATOM 588 O MET A 43 14.451 24.285 -3.609 1.00 0.00 O ATOM 589 CB MET A 43 17.481 24.956 -2.699 1.00 0.00 C ATOM 590 CG MET A 43 17.728 24.223 -1.390 1.00 0.00 C ATOM 591 SD MET A 43 16.796 22.687 -1.248 1.00 0.00 S ATOM 592 CE MET A 43 17.162 22.249 0.446 1.00 0.00 C ATOM 0 H MET A 43 16.726 26.668 -0.990 1.00 0.00 H new ATOM 0 HA MET A 43 16.127 26.182 -3.780 1.00 0.00 H new ATOM 0 HB2 MET A 43 17.504 24.229 -3.511 1.00 0.00 H new ATOM 0 HB3 MET A 43 18.306 25.649 -2.867 1.00 0.00 H new ATOM 0 HG2 MET A 43 18.792 24.004 -1.299 1.00 0.00 H new ATOM 0 HG3 MET A 43 17.465 24.878 -0.559 1.00 0.00 H new ATOM 0 HE1 MET A 43 17.218 21.164 0.537 1.00 0.00 H new ATOM 0 HE2 MET A 43 18.117 22.687 0.737 1.00 0.00 H new ATOM 0 HE3 MET A 43 16.375 22.628 1.098 1.00 0.00 H new ATOM 602 N ALA A 44 14.450 24.725 -1.405 1.00 0.00 N ATOM 603 CA ALA A 44 13.232 23.968 -1.137 1.00 0.00 C ATOM 604 C ALA A 44 12.056 24.563 -1.901 1.00 0.00 C ATOM 605 O ALA A 44 11.174 23.841 -2.373 1.00 0.00 O ATOM 606 CB ALA A 44 12.936 23.944 0.353 1.00 0.00 C ATOM 0 H ALA A 44 14.870 25.152 -0.580 1.00 0.00 H new ATOM 0 HA ALA A 44 13.383 22.943 -1.476 1.00 0.00 H new ATOM 0 HB1 ALA A 44 12.024 23.375 0.534 1.00 0.00 H new ATOM 0 HB2 ALA A 44 13.766 23.476 0.881 1.00 0.00 H new ATOM 0 HB3 ALA A 44 12.805 24.964 0.714 1.00 0.00 H new ATOM 612 N ASP A 45 12.061 25.889 -2.024 1.00 0.00 N ATOM 613 CA ASP A 45 11.062 26.598 -2.818 1.00 0.00 C ATOM 614 C ASP A 45 11.137 26.147 -4.272 1.00 0.00 C ATOM 615 O ASP A 45 10.119 25.921 -4.918 1.00 0.00 O ATOM 616 CB ASP A 45 11.286 28.112 -2.725 1.00 0.00 C ATOM 617 CG ASP A 45 10.310 28.912 -3.570 1.00 0.00 C ATOM 618 OD1 ASP A 45 10.614 29.178 -4.751 1.00 0.00 O ATOM 619 OD2 ASP A 45 9.238 29.295 -3.052 1.00 0.00 O ATOM 0 H ASP A 45 12.750 26.496 -1.581 1.00 0.00 H new ATOM 0 HA ASP A 45 10.072 26.366 -2.425 1.00 0.00 H new ATOM 0 HB2 ASP A 45 11.196 28.423 -1.684 1.00 0.00 H new ATOM 0 HB3 ASP A 45 12.304 28.343 -3.040 1.00 0.00 H new ATOM 624 N SER A 46 12.358 25.983 -4.762 1.00 0.00 N ATOM 625 CA SER A 46 12.583 25.565 -6.135 1.00 0.00 C ATOM 626 C SER A 46 12.186 24.098 -6.326 1.00 0.00 C ATOM 627 O SER A 46 11.744 23.698 -7.407 1.00 0.00 O ATOM 628 CB SER A 46 14.052 25.784 -6.512 1.00 0.00 C ATOM 629 OG SER A 46 14.270 25.570 -7.896 1.00 0.00 O ATOM 0 H SER A 46 13.211 26.135 -4.224 1.00 0.00 H new ATOM 0 HA SER A 46 11.959 26.169 -6.793 1.00 0.00 H new ATOM 0 HB2 SER A 46 14.349 26.799 -6.248 1.00 0.00 H new ATOM 0 HB3 SER A 46 14.682 25.107 -5.934 1.00 0.00 H new ATOM 0 HG SER A 46 15.216 25.719 -8.105 1.00 0.00 H new ATOM 635 N VAL A 47 12.332 23.302 -5.269 1.00 0.00 N ATOM 636 CA VAL A 47 12.010 21.880 -5.324 1.00 0.00 C ATOM 637 C VAL A 47 10.548 21.653 -5.699 1.00 0.00 C ATOM 638 O VAL A 47 10.253 20.904 -6.630 1.00 0.00 O ATOM 639 CB VAL A 47 12.306 21.169 -3.982 1.00 0.00 C ATOM 640 CG1 VAL A 47 11.893 19.705 -4.047 1.00 0.00 C ATOM 641 CG2 VAL A 47 13.779 21.280 -3.626 1.00 0.00 C ATOM 0 H VAL A 47 12.672 23.620 -4.362 1.00 0.00 H new ATOM 0 HA VAL A 47 12.649 21.451 -6.096 1.00 0.00 H new ATOM 0 HB VAL A 47 11.723 21.663 -3.205 1.00 0.00 H new ATOM 0 HG11 VAL A 47 12.110 19.223 -3.094 1.00 0.00 H new ATOM 0 HG12 VAL A 47 10.825 19.637 -4.254 1.00 0.00 H new ATOM 0 HG13 VAL A 47 12.448 19.205 -4.841 1.00 0.00 H new ATOM 0 HG21 VAL A 47 13.964 20.773 -2.679 1.00 0.00 H new ATOM 0 HG22 VAL A 47 14.379 20.816 -4.409 1.00 0.00 H new ATOM 0 HG23 VAL A 47 14.053 22.331 -3.534 1.00 0.00 H new ATOM 651 N ASN A 48 9.630 22.315 -4.996 1.00 0.00 N ATOM 652 CA ASN A 48 8.210 22.097 -5.236 1.00 0.00 C ATOM 653 C ASN A 48 7.785 22.631 -6.600 1.00 0.00 C ATOM 654 O ASN A 48 6.922 22.044 -7.249 1.00 0.00 O ATOM 655 CB ASN A 48 7.343 22.707 -4.129 1.00 0.00 C ATOM 656 CG ASN A 48 7.595 24.180 -3.896 1.00 0.00 C ATOM 657 OD1 ASN A 48 8.397 24.490 -2.891 1.00 0.00 O flip ATOM 658 ND2 ASN A 48 7.044 25.032 -4.590 1.00 0.00 N flip ATOM 0 H ASN A 48 9.842 22.996 -4.267 1.00 0.00 H new ATOM 0 HA ASN A 48 8.053 21.018 -5.227 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.293 22.564 -4.383 1.00 0.00 H new ATOM 0 HB3 ASN A 48 7.523 22.166 -3.200 1.00 0.00 H new ATOM 0 HD21 ASN A 48 6.433 24.749 -5.356 1.00 0.00 H new ATOM 0 HD22 ASN A 48 7.198 26.022 -4.400 1.00 0.00 H new ATOM 665 N SER A 49 8.396 23.725 -7.041 1.00 0.00 N ATOM 666 CA SER A 49 8.113 24.278 -8.342 1.00 0.00 C ATOM 667 C SER A 49 8.449 23.267 -9.436 1.00 0.00 C ATOM 668 O SER A 49 7.657 23.035 -10.348 1.00 0.00 O ATOM 669 CB SER A 49 8.924 25.554 -8.512 1.00 0.00 C ATOM 670 OG SER A 49 8.730 26.420 -7.406 1.00 0.00 O ATOM 0 H SER A 49 9.093 24.243 -6.506 1.00 0.00 H new ATOM 0 HA SER A 49 7.051 24.509 -8.425 1.00 0.00 H new ATOM 0 HB2 SER A 49 9.982 25.309 -8.608 1.00 0.00 H new ATOM 0 HB3 SER A 49 8.629 26.059 -9.432 1.00 0.00 H new ATOM 0 HG SER A 49 9.361 26.187 -6.694 1.00 0.00 H new ATOM 676 N GLN A 50 9.617 22.650 -9.318 1.00 0.00 N ATOM 677 CA GLN A 50 10.052 21.642 -10.274 1.00 0.00 C ATOM 678 C GLN A 50 9.228 20.365 -10.128 1.00 0.00 C ATOM 679 O GLN A 50 8.932 19.687 -11.110 1.00 0.00 O ATOM 680 CB GLN A 50 11.533 21.330 -10.070 1.00 0.00 C ATOM 681 CG GLN A 50 12.460 22.496 -10.373 1.00 0.00 C ATOM 682 CD GLN A 50 13.880 22.239 -9.909 1.00 0.00 C ATOM 683 OE1 GLN A 50 14.698 21.683 -10.644 1.00 0.00 O ATOM 684 NE2 GLN A 50 14.178 22.648 -8.684 1.00 0.00 N ATOM 0 H GLN A 50 10.282 22.831 -8.566 1.00 0.00 H new ATOM 0 HA GLN A 50 9.903 22.037 -11.279 1.00 0.00 H new ATOM 0 HB2 GLN A 50 11.688 21.015 -9.038 1.00 0.00 H new ATOM 0 HB3 GLN A 50 11.807 20.488 -10.705 1.00 0.00 H new ATOM 0 HG2 GLN A 50 12.460 22.688 -11.446 1.00 0.00 H new ATOM 0 HG3 GLN A 50 12.079 23.395 -9.889 1.00 0.00 H new ATOM 0 HE21 GLN A 50 13.467 23.104 -8.112 1.00 0.00 H new ATOM 0 HE22 GLN A 50 15.118 22.507 -8.314 1.00 0.00 H new ATOM 693 N MET A 51 8.852 20.055 -8.898 1.00 0.00 N ATOM 694 CA MET A 51 8.109 18.839 -8.602 1.00 0.00 C ATOM 695 C MET A 51 6.689 18.898 -9.160 1.00 0.00 C ATOM 696 O MET A 51 6.184 17.913 -9.693 1.00 0.00 O ATOM 697 CB MET A 51 8.091 18.595 -7.091 1.00 0.00 C ATOM 698 CG MET A 51 7.248 17.405 -6.665 1.00 0.00 C ATOM 699 SD MET A 51 5.696 17.895 -5.894 1.00 0.00 S ATOM 700 CE MET A 51 6.295 18.739 -4.434 1.00 0.00 C ATOM 0 H MET A 51 9.051 20.633 -8.082 1.00 0.00 H new ATOM 0 HA MET A 51 8.612 18.005 -9.090 1.00 0.00 H new ATOM 0 HB2 MET A 51 9.114 18.444 -6.746 1.00 0.00 H new ATOM 0 HB3 MET A 51 7.715 19.489 -6.594 1.00 0.00 H new ATOM 0 HG2 MET A 51 7.037 16.784 -7.536 1.00 0.00 H new ATOM 0 HG3 MET A 51 7.818 16.792 -5.967 1.00 0.00 H new ATOM 0 HE1 MET A 51 6.146 18.105 -3.560 1.00 0.00 H new ATOM 0 HE2 MET A 51 7.357 18.955 -4.549 1.00 0.00 H new ATOM 0 HE3 MET A 51 5.747 19.672 -4.303 1.00 0.00 H new ATOM 710 N GLN A 52 6.052 20.057 -9.059 1.00 0.00 N ATOM 711 CA GLN A 52 4.692 20.202 -9.554 1.00 0.00 C ATOM 712 C GLN A 52 4.670 20.194 -11.079 1.00 0.00 C ATOM 713 O GLN A 52 3.714 19.723 -11.692 1.00 0.00 O ATOM 714 CB GLN A 52 4.045 21.479 -9.019 1.00 0.00 C ATOM 715 CG GLN A 52 3.900 21.495 -7.507 1.00 0.00 C ATOM 716 CD GLN A 52 3.095 22.679 -7.015 1.00 0.00 C ATOM 717 OE1 GLN A 52 1.874 22.595 -6.866 1.00 0.00 O ATOM 718 NE2 GLN A 52 3.765 23.793 -6.773 1.00 0.00 N ATOM 0 H GLN A 52 6.450 20.900 -8.644 1.00 0.00 H new ATOM 0 HA GLN A 52 4.113 19.352 -9.194 1.00 0.00 H new ATOM 0 HB2 GLN A 52 4.642 22.337 -9.328 1.00 0.00 H new ATOM 0 HB3 GLN A 52 3.061 21.596 -9.472 1.00 0.00 H new ATOM 0 HG2 GLN A 52 3.419 20.572 -7.181 1.00 0.00 H new ATOM 0 HG3 GLN A 52 4.890 21.517 -7.050 1.00 0.00 H new ATOM 0 HE21 GLN A 52 4.776 23.820 -6.909 1.00 0.00 H new ATOM 0 HE22 GLN A 52 3.271 24.625 -6.450 1.00 0.00 H new ATOM 727 N LYS A 53 5.738 20.694 -11.691 1.00 0.00 N ATOM 728 CA LYS A 53 5.841 20.705 -13.141 1.00 0.00 C ATOM 729 C LYS A 53 6.537 19.444 -13.650 1.00 0.00 C ATOM 730 O LYS A 53 6.949 19.370 -14.809 1.00 0.00 O ATOM 731 CB LYS A 53 6.566 21.961 -13.626 1.00 0.00 C ATOM 732 CG LYS A 53 8.015 22.077 -13.198 1.00 0.00 C ATOM 733 CD LYS A 53 8.636 23.331 -13.788 1.00 0.00 C ATOM 734 CE LYS A 53 10.022 23.609 -13.226 1.00 0.00 C ATOM 735 NZ LYS A 53 10.634 24.819 -13.831 1.00 0.00 N ATOM 0 H LYS A 53 6.540 21.095 -11.206 1.00 0.00 H new ATOM 0 HA LYS A 53 4.830 20.719 -13.549 1.00 0.00 H new ATOM 0 HB2 LYS A 53 6.522 21.988 -14.715 1.00 0.00 H new ATOM 0 HB3 LYS A 53 6.026 22.836 -13.263 1.00 0.00 H new ATOM 0 HG2 LYS A 53 8.079 22.107 -12.110 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.570 21.198 -13.526 1.00 0.00 H new ATOM 0 HD2 LYS A 53 8.700 23.227 -14.871 1.00 0.00 H new ATOM 0 HD3 LYS A 53 7.987 24.184 -13.587 1.00 0.00 H new ATOM 0 HE2 LYS A 53 9.956 23.737 -12.146 1.00 0.00 H new ATOM 0 HE3 LYS A 53 10.666 22.748 -13.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 11.577 24.973 -13.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 10.721 24.687 -14.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 10.033 25.646 -13.637 1.00 0.00 H new ATOM 749 N MET A 54 6.660 18.447 -12.783 1.00 0.00 N ATOM 750 CA MET A 54 7.232 17.163 -13.168 1.00 0.00 C ATOM 751 C MET A 54 6.278 16.430 -14.109 1.00 0.00 C ATOM 752 O MET A 54 6.695 15.881 -15.133 1.00 0.00 O ATOM 753 CB MET A 54 7.499 16.308 -11.930 1.00 0.00 C ATOM 754 CG MET A 54 8.289 15.041 -12.208 1.00 0.00 C ATOM 755 SD MET A 54 8.321 13.921 -10.794 1.00 0.00 S ATOM 756 CE MET A 54 8.942 14.993 -9.503 1.00 0.00 C ATOM 0 H MET A 54 6.371 18.503 -11.807 1.00 0.00 H new ATOM 0 HA MET A 54 8.177 17.341 -13.682 1.00 0.00 H new ATOM 0 HB2 MET A 54 8.040 16.907 -11.198 1.00 0.00 H new ATOM 0 HB3 MET A 54 6.545 16.036 -11.477 1.00 0.00 H new ATOM 0 HG2 MET A 54 7.854 14.526 -13.065 1.00 0.00 H new ATOM 0 HG3 MET A 54 9.311 15.306 -12.480 1.00 0.00 H new ATOM 0 HE1 MET A 54 9.759 14.496 -8.979 1.00 0.00 H new ATOM 0 HE2 MET A 54 9.305 15.921 -9.944 1.00 0.00 H new ATOM 0 HE3 MET A 54 8.141 15.215 -8.798 1.00 0.00 H new ATOM 766 N GLY A 55 4.995 16.453 -13.759 1.00 0.00 N ATOM 767 CA GLY A 55 3.974 15.823 -14.575 1.00 0.00 C ATOM 768 C GLY A 55 3.110 14.868 -13.773 1.00 0.00 C ATOM 769 O GLY A 55 3.605 14.209 -12.860 1.00 0.00 O ATOM 0 H GLY A 55 4.642 16.903 -12.914 1.00 0.00 H new ATOM 0 HA2 GLY A 55 3.344 16.591 -15.023 1.00 0.00 H new ATOM 0 HA3 GLY A 55 4.448 15.282 -15.394 1.00 0.00 H new ATOM 773 N PRO A 56 1.801 14.788 -14.076 1.00 0.00 N ATOM 774 CA PRO A 56 0.889 13.845 -13.413 1.00 0.00 C ATOM 775 C PRO A 56 1.215 12.402 -13.788 1.00 0.00 C ATOM 776 O PRO A 56 1.261 12.061 -14.971 1.00 0.00 O ATOM 777 CB PRO A 56 -0.491 14.245 -13.941 1.00 0.00 C ATOM 778 CG PRO A 56 -0.219 14.911 -15.243 1.00 0.00 C ATOM 779 CD PRO A 56 1.104 15.610 -15.083 1.00 0.00 C ATOM 0 HA PRO A 56 0.959 13.890 -12.326 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -1.134 13.374 -14.068 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -0.999 14.918 -13.251 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -0.180 14.183 -16.053 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -1.008 15.621 -15.490 1.00 0.00 H new ATOM 0 HD2 PRO A 56 1.655 15.648 -16.023 1.00 0.00 H new ATOM 0 HD3 PRO A 56 0.978 16.639 -14.745 1.00 0.00 H new ATOM 787 N ASN A 57 1.425 11.563 -12.773 1.00 0.00 N ATOM 788 CA ASN A 57 1.963 10.212 -12.976 1.00 0.00 C ATOM 789 C ASN A 57 3.222 10.289 -13.832 1.00 0.00 C ATOM 790 O ASN A 57 3.231 9.875 -14.993 1.00 0.00 O ATOM 791 CB ASN A 57 0.935 9.273 -13.623 1.00 0.00 C ATOM 792 CG ASN A 57 -0.151 8.841 -12.659 1.00 0.00 C ATOM 793 OD1 ASN A 57 -0.009 7.841 -11.952 1.00 0.00 O ATOM 794 ND2 ASN A 57 -1.244 9.586 -12.623 1.00 0.00 N ATOM 0 H ASN A 57 1.231 11.794 -11.799 1.00 0.00 H new ATOM 0 HA ASN A 57 2.206 9.796 -11.998 1.00 0.00 H new ATOM 0 HB2 ASN A 57 0.479 9.774 -14.477 1.00 0.00 H new ATOM 0 HB3 ASN A 57 1.446 8.390 -14.007 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -2.008 9.340 -11.994 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -1.322 10.406 -13.224 1.00 0.00 H new ATOM 801 N PRO A 58 4.299 10.840 -13.263 1.00 0.00 N ATOM 802 CA PRO A 58 5.506 11.168 -14.019 1.00 0.00 C ATOM 803 C PRO A 58 6.276 9.939 -14.495 1.00 0.00 C ATOM 804 O PRO A 58 6.477 8.983 -13.744 1.00 0.00 O ATOM 805 CB PRO A 58 6.342 11.973 -13.023 1.00 0.00 C ATOM 806 CG PRO A 58 5.889 11.512 -11.682 1.00 0.00 C ATOM 807 CD PRO A 58 4.433 11.173 -11.830 1.00 0.00 C ATOM 0 HA PRO A 58 5.265 11.706 -14.936 1.00 0.00 H new ATOM 0 HB2 PRO A 58 7.407 11.791 -13.164 1.00 0.00 H new ATOM 0 HB3 PRO A 58 6.182 13.044 -13.148 1.00 0.00 H new ATOM 0 HG2 PRO A 58 6.460 10.643 -11.355 1.00 0.00 H new ATOM 0 HG3 PRO A 58 6.034 12.290 -10.933 1.00 0.00 H new ATOM 0 HD2 PRO A 58 4.150 10.334 -11.195 1.00 0.00 H new ATOM 0 HD3 PRO A 58 3.795 12.012 -11.552 1.00 0.00 H new ATOM 815 N PRO A 59 6.708 9.953 -15.767 1.00 0.00 N ATOM 816 CA PRO A 59 7.561 8.903 -16.322 1.00 0.00 C ATOM 817 C PRO A 59 8.948 8.930 -15.687 1.00 0.00 C ATOM 818 O PRO A 59 9.421 9.987 -15.267 1.00 0.00 O ATOM 819 CB PRO A 59 7.639 9.252 -17.810 1.00 0.00 C ATOM 820 CG PRO A 59 7.352 10.708 -17.876 1.00 0.00 C ATOM 821 CD PRO A 59 6.389 10.994 -16.760 1.00 0.00 C ATOM 0 HA PRO A 59 7.170 7.902 -16.139 1.00 0.00 H new ATOM 0 HB2 PRO A 59 8.624 9.024 -18.218 1.00 0.00 H new ATOM 0 HB3 PRO A 59 6.914 8.680 -18.389 1.00 0.00 H new ATOM 0 HG2 PRO A 59 8.266 11.291 -17.761 1.00 0.00 H new ATOM 0 HG3 PRO A 59 6.922 10.977 -18.841 1.00 0.00 H new ATOM 0 HD2 PRO A 59 6.530 11.995 -16.353 1.00 0.00 H new ATOM 0 HD3 PRO A 59 5.354 10.928 -17.094 1.00 0.00 H new ATOM 829 N GLN A 60 9.606 7.781 -15.646 1.00 0.00 N ATOM 830 CA GLN A 60 10.864 7.633 -14.916 1.00 0.00 C ATOM 831 C GLN A 60 11.959 8.578 -15.422 1.00 0.00 C ATOM 832 O GLN A 60 12.901 8.882 -14.688 1.00 0.00 O ATOM 833 CB GLN A 60 11.341 6.179 -14.961 1.00 0.00 C ATOM 834 CG GLN A 60 11.550 5.634 -16.364 1.00 0.00 C ATOM 835 CD GLN A 60 11.882 4.154 -16.366 1.00 0.00 C ATOM 836 OE1 GLN A 60 13.049 3.768 -16.303 1.00 0.00 O ATOM 837 NE2 GLN A 60 10.861 3.315 -16.441 1.00 0.00 N ATOM 0 H GLN A 60 9.290 6.930 -16.112 1.00 0.00 H new ATOM 0 HA GLN A 60 10.664 7.912 -13.881 1.00 0.00 H new ATOM 0 HB2 GLN A 60 12.277 6.099 -14.409 1.00 0.00 H new ATOM 0 HB3 GLN A 60 10.612 5.553 -14.445 1.00 0.00 H new ATOM 0 HG2 GLN A 60 10.649 5.802 -16.954 1.00 0.00 H new ATOM 0 HG3 GLN A 60 12.356 6.185 -16.849 1.00 0.00 H new ATOM 0 HE21 GLN A 60 9.908 3.675 -16.492 1.00 0.00 H new ATOM 0 HE22 GLN A 60 11.027 2.309 -16.448 1.00 0.00 H new ATOM 846 N HIS A 61 11.834 9.061 -16.657 1.00 0.00 N ATOM 847 CA HIS A 61 12.827 9.991 -17.196 1.00 0.00 C ATOM 848 C HIS A 61 12.630 11.398 -16.623 1.00 0.00 C ATOM 849 O HIS A 61 13.505 12.248 -16.737 1.00 0.00 O ATOM 850 CB HIS A 61 12.824 10.016 -18.740 1.00 0.00 C ATOM 851 CG HIS A 61 11.646 10.697 -19.382 1.00 0.00 C ATOM 852 ND1 HIS A 61 10.643 10.015 -20.035 1.00 0.00 N ATOM 853 CD2 HIS A 61 11.344 12.011 -19.512 1.00 0.00 C ATOM 854 CE1 HIS A 61 9.780 10.878 -20.539 1.00 0.00 C ATOM 855 NE2 HIS A 61 10.182 12.096 -20.235 1.00 0.00 N ATOM 0 H HIS A 61 11.071 8.830 -17.293 1.00 0.00 H new ATOM 0 HA HIS A 61 13.807 9.629 -16.884 1.00 0.00 H new ATOM 0 HB2 HIS A 61 13.734 10.511 -19.078 1.00 0.00 H new ATOM 0 HB3 HIS A 61 12.867 8.988 -19.101 1.00 0.00 H new ATOM 0 HD2 HIS A 61 11.914 12.840 -19.118 1.00 0.00 H new ATOM 0 HE1 HIS A 61 8.895 10.628 -21.105 1.00 0.00 H new ATOM 0 HE2 HIS A 61 9.707 12.960 -20.495 1.00 0.00 H new ATOM 863 N ARG A 62 11.477 11.638 -16.007 1.00 0.00 N ATOM 864 CA ARG A 62 11.217 12.921 -15.363 1.00 0.00 C ATOM 865 C ARG A 62 11.695 12.880 -13.920 1.00 0.00 C ATOM 866 O ARG A 62 12.127 13.891 -13.372 1.00 0.00 O ATOM 867 CB ARG A 62 9.725 13.266 -15.411 1.00 0.00 C ATOM 868 CG ARG A 62 9.211 13.575 -16.808 1.00 0.00 C ATOM 869 CD ARG A 62 9.773 14.884 -17.340 1.00 0.00 C ATOM 870 NE ARG A 62 9.303 16.044 -16.580 1.00 0.00 N ATOM 871 CZ ARG A 62 10.008 17.168 -16.430 1.00 0.00 C ATOM 872 NH1 ARG A 62 11.221 17.278 -16.960 1.00 0.00 N ATOM 873 NH2 ARG A 62 9.501 18.188 -15.748 1.00 0.00 N ATOM 0 H ARG A 62 10.712 10.966 -15.940 1.00 0.00 H new ATOM 0 HA ARG A 62 11.763 13.694 -15.903 1.00 0.00 H new ATOM 0 HB2 ARG A 62 9.155 12.432 -15.001 1.00 0.00 H new ATOM 0 HB3 ARG A 62 9.540 14.126 -14.767 1.00 0.00 H new ATOM 0 HG2 ARG A 62 9.481 12.763 -17.483 1.00 0.00 H new ATOM 0 HG3 ARG A 62 8.122 13.627 -16.792 1.00 0.00 H new ATOM 0 HD2 ARG A 62 10.862 14.849 -17.307 1.00 0.00 H new ATOM 0 HD3 ARG A 62 9.489 14.999 -18.386 1.00 0.00 H new ATOM 0 HE ARG A 62 8.384 15.990 -16.140 1.00 0.00 H new ATOM 0 HH11 ARG A 62 11.620 16.501 -17.486 1.00 0.00 H new ATOM 0 HH12 ARG A 62 11.753 18.140 -16.841 1.00 0.00 H new ATOM 0 HH21 ARG A 62 8.570 18.114 -15.337 1.00 0.00 H new ATOM 0 HH22 ARG A 62 10.042 19.045 -15.635 1.00 0.00 H new ATOM 887 N LEU A 63 11.625 11.698 -13.320 1.00 0.00 N ATOM 888 CA LEU A 63 12.079 11.501 -11.949 1.00 0.00 C ATOM 889 C LEU A 63 13.580 11.727 -11.846 1.00 0.00 C ATOM 890 O LEU A 63 14.043 12.453 -10.968 1.00 0.00 O ATOM 891 CB LEU A 63 11.745 10.083 -11.454 1.00 0.00 C ATOM 892 CG LEU A 63 10.303 9.838 -10.992 1.00 0.00 C ATOM 893 CD1 LEU A 63 9.937 10.776 -9.857 1.00 0.00 C ATOM 894 CD2 LEU A 63 9.325 9.987 -12.144 1.00 0.00 C ATOM 0 H LEU A 63 11.256 10.857 -13.764 1.00 0.00 H new ATOM 0 HA LEU A 63 11.559 12.226 -11.323 1.00 0.00 H new ATOM 0 HB2 LEU A 63 11.969 9.380 -12.257 1.00 0.00 H new ATOM 0 HB3 LEU A 63 12.413 9.845 -10.626 1.00 0.00 H new ATOM 0 HG LEU A 63 10.239 8.813 -10.627 1.00 0.00 H new ATOM 0 HD11 LEU A 63 8.910 10.586 -9.544 1.00 0.00 H new ATOM 0 HD12 LEU A 63 10.609 10.609 -9.016 1.00 0.00 H new ATOM 0 HD13 LEU A 63 10.028 11.808 -10.195 1.00 0.00 H new ATOM 0 HD21 LEU A 63 8.311 9.808 -11.786 1.00 0.00 H new ATOM 0 HD22 LEU A 63 9.393 10.996 -12.551 1.00 0.00 H new ATOM 0 HD23 LEU A 63 9.568 9.265 -12.923 1.00 0.00 H new ATOM 906 N ARG A 64 14.325 11.119 -12.771 1.00 0.00 N ATOM 907 CA ARG A 64 15.790 11.133 -12.741 1.00 0.00 C ATOM 908 C ARG A 64 16.356 12.541 -12.596 1.00 0.00 C ATOM 909 O ARG A 64 17.274 12.770 -11.815 1.00 0.00 O ATOM 910 CB ARG A 64 16.353 10.483 -14.005 1.00 0.00 C ATOM 911 CG ARG A 64 17.151 9.220 -13.732 1.00 0.00 C ATOM 912 CD ARG A 64 16.288 8.150 -13.085 1.00 0.00 C ATOM 913 NE ARG A 64 17.052 6.952 -12.750 1.00 0.00 N ATOM 914 CZ ARG A 64 16.506 5.761 -12.520 1.00 0.00 C ATOM 915 NH1 ARG A 64 15.190 5.600 -12.604 1.00 0.00 N ATOM 916 NH2 ARG A 64 17.277 4.731 -12.209 1.00 0.00 N ATOM 0 H ARG A 64 13.932 10.605 -13.559 1.00 0.00 H new ATOM 0 HA ARG A 64 16.094 10.562 -11.863 1.00 0.00 H new ATOM 0 HB2 ARG A 64 15.530 10.245 -14.679 1.00 0.00 H new ATOM 0 HB3 ARG A 64 16.990 11.202 -14.521 1.00 0.00 H new ATOM 0 HG2 ARG A 64 17.565 8.840 -14.666 1.00 0.00 H new ATOM 0 HG3 ARG A 64 17.994 9.453 -13.081 1.00 0.00 H new ATOM 0 HD2 ARG A 64 15.831 8.552 -12.181 1.00 0.00 H new ATOM 0 HD3 ARG A 64 15.476 7.883 -13.761 1.00 0.00 H new ATOM 0 HE ARG A 64 18.067 7.033 -12.689 1.00 0.00 H new ATOM 0 HH11 ARG A 64 14.594 6.392 -12.846 1.00 0.00 H new ATOM 0 HH12 ARG A 64 14.776 4.685 -12.427 1.00 0.00 H new ATOM 0 HH21 ARG A 64 18.288 4.851 -12.146 1.00 0.00 H new ATOM 0 HH22 ARG A 64 16.860 3.817 -12.032 1.00 0.00 H new ATOM 930 N ALA A 65 15.799 13.489 -13.328 1.00 0.00 N ATOM 931 CA ALA A 65 16.309 14.850 -13.297 1.00 0.00 C ATOM 932 C ALA A 65 15.670 15.658 -12.172 1.00 0.00 C ATOM 933 O ALA A 65 15.768 16.885 -12.139 1.00 0.00 O ATOM 934 CB ALA A 65 16.086 15.527 -14.639 1.00 0.00 C ATOM 0 H ALA A 65 15.001 13.345 -13.946 1.00 0.00 H new ATOM 0 HA ALA A 65 17.380 14.804 -13.102 1.00 0.00 H new ATOM 0 HB1 ALA A 65 16.473 16.545 -14.601 1.00 0.00 H new ATOM 0 HB2 ALA A 65 16.606 14.970 -15.418 1.00 0.00 H new ATOM 0 HB3 ALA A 65 15.019 15.552 -14.861 1.00 0.00 H new ATOM 940 N MET A 66 15.024 14.962 -11.250 1.00 0.00 N ATOM 941 CA MET A 66 14.417 15.600 -10.092 1.00 0.00 C ATOM 942 C MET A 66 15.102 15.161 -8.805 1.00 0.00 C ATOM 943 O MET A 66 15.381 15.987 -7.934 1.00 0.00 O ATOM 944 CB MET A 66 12.918 15.308 -10.042 1.00 0.00 C ATOM 945 CG MET A 66 12.120 16.148 -11.026 1.00 0.00 C ATOM 946 SD MET A 66 12.239 17.914 -10.681 1.00 0.00 S ATOM 947 CE MET A 66 11.744 17.954 -8.959 1.00 0.00 C ATOM 0 H MET A 66 14.906 13.949 -11.282 1.00 0.00 H new ATOM 0 HA MET A 66 14.551 16.677 -10.188 1.00 0.00 H new ATOM 0 HB2 MET A 66 12.751 14.252 -10.254 1.00 0.00 H new ATOM 0 HB3 MET A 66 12.550 15.492 -9.033 1.00 0.00 H new ATOM 0 HG2 MET A 66 12.477 15.954 -12.037 1.00 0.00 H new ATOM 0 HG3 MET A 66 11.074 15.844 -10.993 1.00 0.00 H new ATOM 0 HE1 MET A 66 11.244 18.899 -8.746 1.00 0.00 H new ATOM 0 HE2 MET A 66 11.061 17.129 -8.758 1.00 0.00 H new ATOM 0 HE3 MET A 66 12.625 17.858 -8.325 1.00 0.00 H new ATOM 957 N ASN A 67 15.390 13.868 -8.683 1.00 0.00 N ATOM 958 CA ASN A 67 16.172 13.376 -7.550 1.00 0.00 C ATOM 959 C ASN A 67 17.563 13.999 -7.567 1.00 0.00 C ATOM 960 O ASN A 67 18.061 14.470 -6.541 1.00 0.00 O ATOM 961 CB ASN A 67 16.276 11.839 -7.547 1.00 0.00 C ATOM 962 CG ASN A 67 16.403 11.235 -8.935 1.00 0.00 C ATOM 963 OD1 ASN A 67 15.420 10.778 -9.510 1.00 0.00 O ATOM 964 ND2 ASN A 67 17.605 11.218 -9.477 1.00 0.00 N ATOM 0 H ASN A 67 15.098 13.149 -9.345 1.00 0.00 H new ATOM 0 HA ASN A 67 15.654 13.670 -6.637 1.00 0.00 H new ATOM 0 HB2 ASN A 67 17.139 11.543 -6.951 1.00 0.00 H new ATOM 0 HB3 ASN A 67 15.394 11.425 -7.059 1.00 0.00 H new ATOM 0 HD21 ASN A 67 17.741 10.816 -10.404 1.00 0.00 H new ATOM 0 HD22 ASN A 67 18.399 11.607 -8.969 1.00 0.00 H new ATOM 971 N THR A 68 18.163 14.028 -8.747 1.00 0.00 N ATOM 972 CA THR A 68 19.470 14.632 -8.936 1.00 0.00 C ATOM 973 C THR A 68 19.396 16.153 -8.770 1.00 0.00 C ATOM 974 O THR A 68 20.336 16.781 -8.283 1.00 0.00 O ATOM 975 CB THR A 68 20.023 14.263 -10.329 1.00 0.00 C ATOM 976 OG1 THR A 68 20.146 12.835 -10.423 1.00 0.00 O ATOM 977 CG2 THR A 68 21.376 14.911 -10.600 1.00 0.00 C ATOM 0 H THR A 68 17.758 13.635 -9.597 1.00 0.00 H new ATOM 0 HA THR A 68 20.147 14.244 -8.174 1.00 0.00 H new ATOM 0 HB THR A 68 19.325 14.638 -11.078 1.00 0.00 H new ATOM 0 HG1 THR A 68 20.115 12.444 -9.525 1.00 0.00 H new ATOM 0 HG21 THR A 68 21.725 14.623 -11.591 1.00 0.00 H new ATOM 0 HG22 THR A 68 21.276 15.995 -10.551 1.00 0.00 H new ATOM 0 HG23 THR A 68 22.095 14.579 -9.851 1.00 0.00 H new ATOM 985 N ALA A 69 18.254 16.729 -9.139 1.00 0.00 N ATOM 986 CA ALA A 69 18.062 18.173 -9.076 1.00 0.00 C ATOM 987 C ALA A 69 18.147 18.688 -7.644 1.00 0.00 C ATOM 988 O ALA A 69 18.913 19.607 -7.357 1.00 0.00 O ATOM 989 CB ALA A 69 16.726 18.554 -9.689 1.00 0.00 C ATOM 0 H ALA A 69 17.445 16.214 -9.486 1.00 0.00 H new ATOM 0 HA ALA A 69 18.865 18.639 -9.647 1.00 0.00 H new ATOM 0 HB1 ALA A 69 16.596 19.635 -9.635 1.00 0.00 H new ATOM 0 HB2 ALA A 69 16.700 18.237 -10.732 1.00 0.00 H new ATOM 0 HB3 ALA A 69 15.921 18.064 -9.141 1.00 0.00 H new ATOM 995 N MET A 70 17.369 18.087 -6.745 1.00 0.00 N ATOM 996 CA MET A 70 17.327 18.542 -5.358 1.00 0.00 C ATOM 997 C MET A 70 18.696 18.380 -4.716 1.00 0.00 C ATOM 998 O MET A 70 19.188 19.278 -4.035 1.00 0.00 O ATOM 999 CB MET A 70 16.277 17.770 -4.553 1.00 0.00 C ATOM 1000 CG MET A 70 16.028 18.363 -3.173 1.00 0.00 C ATOM 1001 SD MET A 70 14.802 17.449 -2.217 1.00 0.00 S ATOM 1002 CE MET A 70 15.712 15.963 -1.805 1.00 0.00 C ATOM 0 H MET A 70 16.765 17.291 -6.950 1.00 0.00 H new ATOM 0 HA MET A 70 17.049 19.596 -5.356 1.00 0.00 H new ATOM 0 HB2 MET A 70 15.340 17.755 -5.110 1.00 0.00 H new ATOM 0 HB3 MET A 70 16.600 16.735 -4.444 1.00 0.00 H new ATOM 0 HG2 MET A 70 16.967 18.386 -2.620 1.00 0.00 H new ATOM 0 HG3 MET A 70 15.697 19.396 -3.283 1.00 0.00 H new ATOM 0 HE1 MET A 70 15.105 15.333 -1.154 1.00 0.00 H new ATOM 0 HE2 MET A 70 15.951 15.418 -2.718 1.00 0.00 H new ATOM 0 HE3 MET A 70 16.635 16.232 -1.291 1.00 0.00 H new ATOM 1012 N ALA A 71 19.312 17.233 -4.966 1.00 0.00 N ATOM 1013 CA ALA A 71 20.639 16.939 -4.445 1.00 0.00 C ATOM 1014 C ALA A 71 21.653 17.986 -4.898 1.00 0.00 C ATOM 1015 O ALA A 71 22.511 18.407 -4.122 1.00 0.00 O ATOM 1016 CB ALA A 71 21.067 15.550 -4.892 1.00 0.00 C ATOM 0 H ALA A 71 18.910 16.485 -5.531 1.00 0.00 H new ATOM 0 HA ALA A 71 20.600 16.968 -3.356 1.00 0.00 H new ATOM 0 HB1 ALA A 71 22.061 15.332 -4.501 1.00 0.00 H new ATOM 0 HB2 ALA A 71 20.359 14.812 -4.515 1.00 0.00 H new ATOM 0 HB3 ALA A 71 21.089 15.509 -5.981 1.00 0.00 H new ATOM 1022 N ALA A 72 21.533 18.416 -6.149 1.00 0.00 N ATOM 1023 CA ALA A 72 22.435 19.412 -6.711 1.00 0.00 C ATOM 1024 C ALA A 72 22.294 20.755 -6.003 1.00 0.00 C ATOM 1025 O ALA A 72 23.282 21.455 -5.781 1.00 0.00 O ATOM 1026 CB ALA A 72 22.171 19.575 -8.198 1.00 0.00 C ATOM 0 H ALA A 72 20.816 18.088 -6.795 1.00 0.00 H new ATOM 0 HA ALA A 72 23.456 19.061 -6.563 1.00 0.00 H new ATOM 0 HB1 ALA A 72 22.851 20.322 -8.608 1.00 0.00 H new ATOM 0 HB2 ALA A 72 22.331 18.622 -8.703 1.00 0.00 H new ATOM 0 HB3 ALA A 72 21.141 19.898 -8.351 1.00 0.00 H new ATOM 1032 N GLU A 73 21.067 21.109 -5.640 1.00 0.00 N ATOM 1033 CA GLU A 73 20.801 22.394 -5.009 1.00 0.00 C ATOM 1034 C GLU A 73 21.152 22.361 -3.524 1.00 0.00 C ATOM 1035 O GLU A 73 21.487 23.388 -2.935 1.00 0.00 O ATOM 1036 CB GLU A 73 19.345 22.801 -5.229 1.00 0.00 C ATOM 1037 CG GLU A 73 18.997 22.904 -6.705 1.00 0.00 C ATOM 1038 CD GLU A 73 17.653 23.544 -6.968 1.00 0.00 C ATOM 1039 OE1 GLU A 73 17.576 24.792 -6.944 1.00 0.00 O ATOM 1040 OE2 GLU A 73 16.682 22.811 -7.254 1.00 0.00 O ATOM 0 H GLU A 73 20.242 20.524 -5.772 1.00 0.00 H new ATOM 0 HA GLU A 73 21.438 23.146 -5.475 1.00 0.00 H new ATOM 0 HB2 GLU A 73 18.689 22.072 -4.752 1.00 0.00 H new ATOM 0 HB3 GLU A 73 19.160 23.760 -4.746 1.00 0.00 H new ATOM 0 HG2 GLU A 73 19.770 23.481 -7.212 1.00 0.00 H new ATOM 0 HG3 GLU A 73 19.006 21.906 -7.142 1.00 0.00 H new ATOM 1047 N VAL A 74 21.088 21.178 -2.919 1.00 0.00 N ATOM 1048 CA VAL A 74 21.550 21.007 -1.544 1.00 0.00 C ATOM 1049 C VAL A 74 23.069 21.133 -1.498 1.00 0.00 C ATOM 1050 O VAL A 74 23.635 21.680 -0.554 1.00 0.00 O ATOM 1051 CB VAL A 74 21.120 19.646 -0.949 1.00 0.00 C ATOM 1052 CG1 VAL A 74 21.646 19.481 0.470 1.00 0.00 C ATOM 1053 CG2 VAL A 74 19.608 19.518 -0.961 1.00 0.00 C ATOM 0 H VAL A 74 20.724 20.330 -3.354 1.00 0.00 H new ATOM 0 HA VAL A 74 21.089 21.788 -0.940 1.00 0.00 H new ATOM 0 HB VAL A 74 21.548 18.857 -1.568 1.00 0.00 H new ATOM 0 HG11 VAL A 74 21.330 18.516 0.865 1.00 0.00 H new ATOM 0 HG12 VAL A 74 22.735 19.531 0.463 1.00 0.00 H new ATOM 0 HG13 VAL A 74 21.251 20.278 1.100 1.00 0.00 H new ATOM 0 HG21 VAL A 74 19.321 18.555 -0.539 1.00 0.00 H new ATOM 0 HG22 VAL A 74 19.170 20.320 -0.366 1.00 0.00 H new ATOM 0 HG23 VAL A 74 19.245 19.588 -1.986 1.00 0.00 H new ATOM 1063 N ALA A 75 23.715 20.656 -2.552 1.00 0.00 N ATOM 1064 CA ALA A 75 25.165 20.729 -2.676 1.00 0.00 C ATOM 1065 C ALA A 75 25.654 22.176 -2.663 1.00 0.00 C ATOM 1066 O ALA A 75 26.785 22.456 -2.259 1.00 0.00 O ATOM 1067 CB ALA A 75 25.602 20.039 -3.956 1.00 0.00 C ATOM 0 H ALA A 75 23.252 20.209 -3.343 1.00 0.00 H new ATOM 0 HA ALA A 75 25.608 20.222 -1.819 1.00 0.00 H new ATOM 0 HB1 ALA A 75 26.687 20.095 -4.047 1.00 0.00 H new ATOM 0 HB2 ALA A 75 25.293 18.994 -3.930 1.00 0.00 H new ATOM 0 HB3 ALA A 75 25.140 20.532 -4.811 1.00 0.00 H new ATOM 1073 N GLU A 76 24.794 23.091 -3.097 1.00 0.00 N ATOM 1074 CA GLU A 76 25.135 24.507 -3.142 1.00 0.00 C ATOM 1075 C GLU A 76 25.465 25.046 -1.754 1.00 0.00 C ATOM 1076 O GLU A 76 26.459 25.749 -1.579 1.00 0.00 O ATOM 1077 CB GLU A 76 23.990 25.312 -3.754 1.00 0.00 C ATOM 1078 CG GLU A 76 23.753 25.003 -5.222 1.00 0.00 C ATOM 1079 CD GLU A 76 24.943 25.362 -6.087 1.00 0.00 C ATOM 1080 OE1 GLU A 76 25.033 26.525 -6.530 1.00 0.00 O ATOM 1081 OE2 GLU A 76 25.799 24.485 -6.326 1.00 0.00 O ATOM 0 H GLU A 76 23.852 22.875 -3.424 1.00 0.00 H new ATOM 0 HA GLU A 76 26.022 24.613 -3.767 1.00 0.00 H new ATOM 0 HB2 GLU A 76 23.076 25.111 -3.196 1.00 0.00 H new ATOM 0 HB3 GLU A 76 24.204 26.375 -3.644 1.00 0.00 H new ATOM 0 HG2 GLU A 76 23.531 23.942 -5.336 1.00 0.00 H new ATOM 0 HG3 GLU A 76 22.877 25.551 -5.569 1.00 0.00 H new ATOM 1088 N VAL A 77 24.642 24.709 -0.768 1.00 0.00 N ATOM 1089 CA VAL A 77 24.859 25.195 0.588 1.00 0.00 C ATOM 1090 C VAL A 77 25.994 24.426 1.260 1.00 0.00 C ATOM 1091 O VAL A 77 26.702 24.961 2.111 1.00 0.00 O ATOM 1092 CB VAL A 77 23.580 25.110 1.458 1.00 0.00 C ATOM 1093 CG1 VAL A 77 22.421 25.813 0.771 1.00 0.00 C ATOM 1094 CG2 VAL A 77 23.212 23.669 1.778 1.00 0.00 C ATOM 0 H VAL A 77 23.826 24.107 -0.880 1.00 0.00 H new ATOM 0 HA VAL A 77 25.132 26.247 0.504 1.00 0.00 H new ATOM 0 HB VAL A 77 23.790 25.615 2.401 1.00 0.00 H new ATOM 0 HG11 VAL A 77 21.531 25.743 1.396 1.00 0.00 H new ATOM 0 HG12 VAL A 77 22.673 26.862 0.614 1.00 0.00 H new ATOM 0 HG13 VAL A 77 22.227 25.339 -0.191 1.00 0.00 H new ATOM 0 HG21 VAL A 77 22.310 23.651 2.390 1.00 0.00 H new ATOM 0 HG22 VAL A 77 23.033 23.125 0.851 1.00 0.00 H new ATOM 0 HG23 VAL A 77 24.029 23.197 2.323 1.00 0.00 H new ATOM 1104 N VAL A 78 26.177 23.178 0.850 1.00 0.00 N ATOM 1105 CA VAL A 78 27.238 22.343 1.393 1.00 0.00 C ATOM 1106 C VAL A 78 28.601 22.859 0.943 1.00 0.00 C ATOM 1107 O VAL A 78 29.604 22.698 1.639 1.00 0.00 O ATOM 1108 CB VAL A 78 27.064 20.872 0.963 1.00 0.00 C ATOM 1109 CG1 VAL A 78 28.175 20.005 1.528 1.00 0.00 C ATOM 1110 CG2 VAL A 78 25.707 20.346 1.402 1.00 0.00 C ATOM 0 H VAL A 78 25.603 22.721 0.141 1.00 0.00 H new ATOM 0 HA VAL A 78 27.179 22.391 2.480 1.00 0.00 H new ATOM 0 HB VAL A 78 27.120 20.830 -0.125 1.00 0.00 H new ATOM 0 HG11 VAL A 78 28.029 18.973 1.210 1.00 0.00 H new ATOM 0 HG12 VAL A 78 29.138 20.364 1.164 1.00 0.00 H new ATOM 0 HG13 VAL A 78 28.158 20.055 2.617 1.00 0.00 H new ATOM 0 HG21 VAL A 78 25.601 19.307 1.090 1.00 0.00 H new ATOM 0 HG22 VAL A 78 25.626 20.409 2.487 1.00 0.00 H new ATOM 0 HG23 VAL A 78 24.919 20.944 0.944 1.00 0.00 H new ATOM 1120 N ALA A 79 28.623 23.518 -0.210 1.00 0.00 N ATOM 1121 CA ALA A 79 29.853 24.088 -0.743 1.00 0.00 C ATOM 1122 C ALA A 79 30.348 25.232 0.137 1.00 0.00 C ATOM 1123 O ALA A 79 31.511 25.627 0.066 1.00 0.00 O ATOM 1124 CB ALA A 79 29.644 24.574 -2.172 1.00 0.00 C ATOM 0 H ALA A 79 27.801 23.671 -0.794 1.00 0.00 H new ATOM 0 HA ALA A 79 30.612 23.306 -0.749 1.00 0.00 H new ATOM 0 HB1 ALA A 79 30.574 24.996 -2.552 1.00 0.00 H new ATOM 0 HB2 ALA A 79 29.342 23.736 -2.801 1.00 0.00 H new ATOM 0 HB3 ALA A 79 28.866 25.337 -2.187 1.00 0.00 H new ATOM 1130 N THR A 80 29.455 25.755 0.964 1.00 0.00 N ATOM 1131 CA THR A 80 29.780 26.846 1.865 1.00 0.00 C ATOM 1132 C THR A 80 30.282 26.299 3.207 1.00 0.00 C ATOM 1133 O THR A 80 30.664 27.056 4.103 1.00 0.00 O ATOM 1134 CB THR A 80 28.539 27.734 2.086 1.00 0.00 C ATOM 1135 OG1 THR A 80 27.862 27.920 0.834 1.00 0.00 O ATOM 1136 CG2 THR A 80 28.923 29.093 2.652 1.00 0.00 C ATOM 0 H THR A 80 28.489 25.435 1.028 1.00 0.00 H new ATOM 0 HA THR A 80 30.571 27.446 1.416 1.00 0.00 H new ATOM 0 HB THR A 80 27.886 27.236 2.803 1.00 0.00 H new ATOM 0 HG1 THR A 80 27.071 28.483 0.970 1.00 0.00 H new ATOM 0 HG21 THR A 80 28.025 29.694 2.796 1.00 0.00 H new ATOM 0 HG22 THR A 80 29.427 28.959 3.609 1.00 0.00 H new ATOM 0 HG23 THR A 80 29.592 29.601 1.957 1.00 0.00 H new ATOM 1144 N SER A 81 30.289 24.975 3.333 1.00 0.00 N ATOM 1145 CA SER A 81 30.727 24.325 4.556 1.00 0.00 C ATOM 1146 C SER A 81 32.203 23.939 4.458 1.00 0.00 C ATOM 1147 O SER A 81 32.608 23.223 3.538 1.00 0.00 O ATOM 1148 CB SER A 81 29.871 23.089 4.817 1.00 0.00 C ATOM 1149 OG SER A 81 28.494 23.425 4.785 1.00 0.00 O ATOM 0 H SER A 81 29.994 24.332 2.598 1.00 0.00 H new ATOM 0 HA SER A 81 30.611 25.020 5.387 1.00 0.00 H new ATOM 0 HB2 SER A 81 30.083 22.327 4.067 1.00 0.00 H new ATOM 0 HB3 SER A 81 30.125 22.661 5.787 1.00 0.00 H new ATOM 0 HG SER A 81 28.231 23.639 3.866 1.00 0.00 H new ATOM 1155 N PRO A 82 33.033 24.420 5.397 1.00 0.00 N ATOM 1156 CA PRO A 82 34.461 24.101 5.416 1.00 0.00 C ATOM 1157 C PRO A 82 34.708 22.630 5.745 1.00 0.00 C ATOM 1158 O PRO A 82 33.918 22.014 6.461 1.00 0.00 O ATOM 1159 CB PRO A 82 35.018 25.001 6.523 1.00 0.00 C ATOM 1160 CG PRO A 82 33.852 25.287 7.405 1.00 0.00 C ATOM 1161 CD PRO A 82 32.646 25.308 6.508 1.00 0.00 C ATOM 0 HA PRO A 82 34.933 24.266 4.447 1.00 0.00 H new ATOM 0 HB2 PRO A 82 35.817 24.503 7.073 1.00 0.00 H new ATOM 0 HB3 PRO A 82 35.438 25.919 6.112 1.00 0.00 H new ATOM 0 HG2 PRO A 82 33.751 24.524 8.177 1.00 0.00 H new ATOM 0 HG3 PRO A 82 33.975 26.242 7.916 1.00 0.00 H new ATOM 0 HD2 PRO A 82 31.756 24.944 7.022 1.00 0.00 H new ATOM 0 HD3 PRO A 82 32.423 26.316 6.158 1.00 0.00 H new ATOM 1169 N PRO A 83 35.810 22.049 5.228 1.00 0.00 N ATOM 1170 CA PRO A 83 36.145 20.630 5.437 1.00 0.00 C ATOM 1171 C PRO A 83 36.151 20.223 6.912 1.00 0.00 C ATOM 1172 O PRO A 83 35.929 19.056 7.239 1.00 0.00 O ATOM 1173 CB PRO A 83 37.551 20.508 4.847 1.00 0.00 C ATOM 1174 CG PRO A 83 37.632 21.595 3.835 1.00 0.00 C ATOM 1175 CD PRO A 83 36.813 22.730 4.384 1.00 0.00 C ATOM 0 HA PRO A 83 35.407 19.975 4.974 1.00 0.00 H new ATOM 0 HB2 PRO A 83 38.315 20.625 5.616 1.00 0.00 H new ATOM 0 HB3 PRO A 83 37.705 19.530 4.391 1.00 0.00 H new ATOM 0 HG2 PRO A 83 38.665 21.902 3.673 1.00 0.00 H new ATOM 0 HG3 PRO A 83 37.243 21.263 2.872 1.00 0.00 H new ATOM 0 HD2 PRO A 83 37.423 23.422 4.964 1.00 0.00 H new ATOM 0 HD3 PRO A 83 36.343 23.308 3.589 1.00 0.00 H new ATOM 1183 N GLN A 84 36.396 21.193 7.788 1.00 0.00 N ATOM 1184 CA GLN A 84 36.405 20.959 9.231 1.00 0.00 C ATOM 1185 C GLN A 84 35.054 20.427 9.709 1.00 0.00 C ATOM 1186 O GLN A 84 34.954 19.304 10.200 1.00 0.00 O ATOM 1187 CB GLN A 84 36.727 22.258 9.971 1.00 0.00 C ATOM 1188 CG GLN A 84 38.037 22.897 9.550 1.00 0.00 C ATOM 1189 CD GLN A 84 38.293 24.212 10.257 1.00 0.00 C ATOM 1190 OE1 GLN A 84 37.856 24.417 11.392 1.00 0.00 O ATOM 1191 NE2 GLN A 84 39.005 25.107 9.594 1.00 0.00 N ATOM 0 H GLN A 84 36.593 22.158 7.522 1.00 0.00 H new ATOM 0 HA GLN A 84 37.171 20.214 9.446 1.00 0.00 H new ATOM 0 HB2 GLN A 84 35.918 22.969 9.806 1.00 0.00 H new ATOM 0 HB3 GLN A 84 36.760 22.056 11.042 1.00 0.00 H new ATOM 0 HG2 GLN A 84 38.857 22.210 9.759 1.00 0.00 H new ATOM 0 HG3 GLN A 84 38.027 23.063 8.473 1.00 0.00 H new ATOM 0 HE21 GLN A 84 39.346 24.894 8.657 1.00 0.00 H new ATOM 0 HE22 GLN A 84 39.213 26.010 10.020 1.00 0.00 H new ATOM 1200 N SER A 85 34.016 21.229 9.533 1.00 0.00 N ATOM 1201 CA SER A 85 32.693 20.891 10.030 1.00 0.00 C ATOM 1202 C SER A 85 31.857 20.223 8.944 1.00 0.00 C ATOM 1203 O SER A 85 30.669 19.957 9.135 1.00 0.00 O ATOM 1204 CB SER A 85 32.001 22.155 10.544 1.00 0.00 C ATOM 1205 OG SER A 85 32.086 23.202 9.592 1.00 0.00 O ATOM 0 H SER A 85 34.066 22.124 9.046 1.00 0.00 H new ATOM 0 HA SER A 85 32.796 20.182 10.851 1.00 0.00 H new ATOM 0 HB2 SER A 85 30.955 21.939 10.760 1.00 0.00 H new ATOM 0 HB3 SER A 85 32.461 22.471 11.480 1.00 0.00 H new ATOM 0 HG SER A 85 31.636 23.999 9.941 1.00 0.00 H new ATOM 1211 N TYR A 86 32.490 19.943 7.810 1.00 0.00 N ATOM 1212 CA TYR A 86 31.819 19.308 6.682 1.00 0.00 C ATOM 1213 C TYR A 86 31.166 17.995 7.103 1.00 0.00 C ATOM 1214 O TYR A 86 30.021 17.720 6.743 1.00 0.00 O ATOM 1215 CB TYR A 86 32.821 19.065 5.551 1.00 0.00 C ATOM 1216 CG TYR A 86 32.235 18.386 4.330 1.00 0.00 C ATOM 1217 CD1 TYR A 86 32.237 16.998 4.218 1.00 0.00 C ATOM 1218 CD2 TYR A 86 31.702 19.127 3.281 1.00 0.00 C ATOM 1219 CE1 TYR A 86 31.720 16.371 3.103 1.00 0.00 C ATOM 1220 CE2 TYR A 86 31.188 18.501 2.160 1.00 0.00 C ATOM 1221 CZ TYR A 86 31.200 17.127 2.076 1.00 0.00 C ATOM 1222 OH TYR A 86 30.698 16.506 0.958 1.00 0.00 O ATOM 0 H TYR A 86 33.476 20.148 7.647 1.00 0.00 H new ATOM 0 HA TYR A 86 31.034 19.975 6.327 1.00 0.00 H new ATOM 0 HB2 TYR A 86 33.249 20.021 5.250 1.00 0.00 H new ATOM 0 HB3 TYR A 86 33.640 18.455 5.933 1.00 0.00 H new ATOM 0 HD1 TYR A 86 32.651 16.402 5.018 1.00 0.00 H new ATOM 0 HD2 TYR A 86 31.689 20.205 3.342 1.00 0.00 H new ATOM 0 HE1 TYR A 86 31.723 15.293 3.036 1.00 0.00 H new ATOM 0 HE2 TYR A 86 30.778 19.089 1.352 1.00 0.00 H new ATOM 0 HH TYR A 86 31.232 16.758 0.176 1.00 0.00 H new ATOM 1232 N SER A 87 31.883 17.211 7.900 1.00 0.00 N ATOM 1233 CA SER A 87 31.387 15.911 8.348 1.00 0.00 C ATOM 1234 C SER A 87 30.326 16.055 9.439 1.00 0.00 C ATOM 1235 O SER A 87 29.867 15.063 10.003 1.00 0.00 O ATOM 1236 CB SER A 87 32.541 15.041 8.847 1.00 0.00 C ATOM 1237 OG SER A 87 33.497 14.822 7.823 1.00 0.00 O ATOM 0 H SER A 87 32.810 17.451 8.250 1.00 0.00 H new ATOM 0 HA SER A 87 30.920 15.427 7.491 1.00 0.00 H new ATOM 0 HB2 SER A 87 33.021 15.522 9.699 1.00 0.00 H new ATOM 0 HB3 SER A 87 32.154 14.084 9.197 1.00 0.00 H new ATOM 0 HG SER A 87 34.225 14.264 8.169 1.00 0.00 H new ATOM 1243 N ALA A 88 29.952 17.287 9.738 1.00 0.00 N ATOM 1244 CA ALA A 88 28.848 17.550 10.643 1.00 0.00 C ATOM 1245 C ALA A 88 27.670 18.101 9.854 1.00 0.00 C ATOM 1246 O ALA A 88 26.513 17.788 10.134 1.00 0.00 O ATOM 1247 CB ALA A 88 29.269 18.518 11.740 1.00 0.00 C ATOM 0 H ALA A 88 30.399 18.124 9.365 1.00 0.00 H new ATOM 0 HA ALA A 88 28.549 16.619 11.124 1.00 0.00 H new ATOM 0 HB1 ALA A 88 28.426 18.701 12.407 1.00 0.00 H new ATOM 0 HB2 ALA A 88 30.094 18.088 12.308 1.00 0.00 H new ATOM 0 HB3 ALA A 88 29.588 19.459 11.292 1.00 0.00 H new ATOM 1253 N VAL A 89 27.978 18.902 8.838 1.00 0.00 N ATOM 1254 CA VAL A 89 26.954 19.469 7.969 1.00 0.00 C ATOM 1255 C VAL A 89 26.372 18.385 7.074 1.00 0.00 C ATOM 1256 O VAL A 89 25.161 18.165 7.052 1.00 0.00 O ATOM 1257 CB VAL A 89 27.515 20.608 7.087 1.00 0.00 C ATOM 1258 CG1 VAL A 89 26.437 21.157 6.164 1.00 0.00 C ATOM 1259 CG2 VAL A 89 28.100 21.722 7.944 1.00 0.00 C ATOM 0 H VAL A 89 28.931 19.173 8.597 1.00 0.00 H new ATOM 0 HA VAL A 89 26.176 19.884 8.610 1.00 0.00 H new ATOM 0 HB VAL A 89 28.315 20.194 6.473 1.00 0.00 H new ATOM 0 HG11 VAL A 89 26.854 21.957 5.553 1.00 0.00 H new ATOM 0 HG12 VAL A 89 26.071 20.360 5.517 1.00 0.00 H new ATOM 0 HG13 VAL A 89 25.612 21.548 6.760 1.00 0.00 H new ATOM 0 HG21 VAL A 89 28.488 22.511 7.300 1.00 0.00 H new ATOM 0 HG22 VAL A 89 27.323 22.130 8.590 1.00 0.00 H new ATOM 0 HG23 VAL A 89 28.909 21.323 8.557 1.00 0.00 H new ATOM 1269 N LEU A 90 27.254 17.693 6.357 1.00 0.00 N ATOM 1270 CA LEU A 90 26.863 16.607 5.477 1.00 0.00 C ATOM 1271 C LEU A 90 26.157 15.523 6.286 1.00 0.00 C ATOM 1272 O LEU A 90 25.177 14.924 5.838 1.00 0.00 O ATOM 1273 CB LEU A 90 28.122 16.048 4.804 1.00 0.00 C ATOM 1274 CG LEU A 90 27.946 15.444 3.411 1.00 0.00 C ATOM 1275 CD1 LEU A 90 27.102 14.183 3.453 1.00 0.00 C ATOM 1276 CD2 LEU A 90 27.345 16.464 2.457 1.00 0.00 C ATOM 0 H LEU A 90 28.258 17.873 6.373 1.00 0.00 H new ATOM 0 HA LEU A 90 26.174 16.965 4.712 1.00 0.00 H new ATOM 0 HB2 LEU A 90 28.856 16.851 4.736 1.00 0.00 H new ATOM 0 HB3 LEU A 90 28.545 15.283 5.455 1.00 0.00 H new ATOM 0 HG LEU A 90 28.934 15.166 3.043 1.00 0.00 H new ATOM 0 HD11 LEU A 90 26.998 13.781 2.445 1.00 0.00 H new ATOM 0 HD12 LEU A 90 27.585 13.443 4.091 1.00 0.00 H new ATOM 0 HD13 LEU A 90 26.116 14.418 3.853 1.00 0.00 H new ATOM 0 HD21 LEU A 90 27.228 16.015 1.471 1.00 0.00 H new ATOM 0 HD22 LEU A 90 26.371 16.781 2.830 1.00 0.00 H new ATOM 0 HD23 LEU A 90 28.005 17.329 2.386 1.00 0.00 H new ATOM 1288 N ASN A 91 26.661 15.304 7.493 1.00 0.00 N ATOM 1289 CA ASN A 91 26.097 14.327 8.414 1.00 0.00 C ATOM 1290 C ASN A 91 24.648 14.678 8.735 1.00 0.00 C ATOM 1291 O ASN A 91 23.765 13.821 8.703 1.00 0.00 O ATOM 1292 CB ASN A 91 26.925 14.312 9.697 1.00 0.00 C ATOM 1293 CG ASN A 91 27.004 12.948 10.345 1.00 0.00 C ATOM 1294 OD1 ASN A 91 26.064 12.153 10.289 1.00 0.00 O ATOM 1295 ND2 ASN A 91 28.147 12.664 10.949 1.00 0.00 N ATOM 0 H ASN A 91 27.473 15.799 7.861 1.00 0.00 H new ATOM 0 HA ASN A 91 26.120 13.340 7.951 1.00 0.00 H new ATOM 0 HB2 ASN A 91 27.934 14.659 9.474 1.00 0.00 H new ATOM 0 HB3 ASN A 91 26.495 15.019 10.407 1.00 0.00 H new ATOM 0 HD21 ASN A 91 28.277 11.755 11.393 1.00 0.00 H new ATOM 0 HD22 ASN A 91 28.898 13.354 10.970 1.00 0.00 H new ATOM 1302 N THR A 92 24.414 15.953 9.028 1.00 0.00 N ATOM 1303 CA THR A 92 23.075 16.455 9.311 1.00 0.00 C ATOM 1304 C THR A 92 22.157 16.278 8.099 1.00 0.00 C ATOM 1305 O THR A 92 20.990 15.905 8.242 1.00 0.00 O ATOM 1306 CB THR A 92 23.123 17.947 9.720 1.00 0.00 C ATOM 1307 OG1 THR A 92 23.956 18.104 10.872 1.00 0.00 O ATOM 1308 CG2 THR A 92 21.734 18.491 10.027 1.00 0.00 C ATOM 0 H THR A 92 25.144 16.664 9.076 1.00 0.00 H new ATOM 0 HA THR A 92 22.672 15.875 10.141 1.00 0.00 H new ATOM 0 HB THR A 92 23.531 18.509 8.880 1.00 0.00 H new ATOM 0 HG1 THR A 92 24.890 18.196 10.590 1.00 0.00 H new ATOM 0 HG21 THR A 92 21.809 19.541 10.310 1.00 0.00 H new ATOM 0 HG22 THR A 92 21.103 18.398 9.143 1.00 0.00 H new ATOM 0 HG23 THR A 92 21.295 17.924 10.848 1.00 0.00 H new ATOM 1316 N ILE A 93 22.700 16.524 6.908 1.00 0.00 N ATOM 1317 CA ILE A 93 21.942 16.378 5.669 1.00 0.00 C ATOM 1318 C ILE A 93 21.377 14.969 5.542 1.00 0.00 C ATOM 1319 O ILE A 93 20.169 14.788 5.381 1.00 0.00 O ATOM 1320 CB ILE A 93 22.807 16.698 4.426 1.00 0.00 C ATOM 1321 CG1 ILE A 93 23.324 18.142 4.481 1.00 0.00 C ATOM 1322 CG2 ILE A 93 22.018 16.464 3.143 1.00 0.00 C ATOM 1323 CD1 ILE A 93 22.228 19.188 4.551 1.00 0.00 C ATOM 0 H ILE A 93 23.665 16.826 6.776 1.00 0.00 H new ATOM 0 HA ILE A 93 21.122 17.095 5.713 1.00 0.00 H new ATOM 0 HB ILE A 93 23.664 16.025 4.429 1.00 0.00 H new ATOM 0 HG12 ILE A 93 23.973 18.252 5.350 1.00 0.00 H new ATOM 0 HG13 ILE A 93 23.937 18.331 3.600 1.00 0.00 H new ATOM 0 HG21 ILE A 93 22.646 16.695 2.282 1.00 0.00 H new ATOM 0 HG22 ILE A 93 21.705 15.421 3.094 1.00 0.00 H new ATOM 0 HG23 ILE A 93 21.139 17.108 3.134 1.00 0.00 H new ATOM 0 HD11 ILE A 93 22.675 20.181 4.587 1.00 0.00 H new ATOM 0 HD12 ILE A 93 21.592 19.108 3.670 1.00 0.00 H new ATOM 0 HD13 ILE A 93 21.628 19.027 5.447 1.00 0.00 H new ATOM 1335 N GLY A 94 22.251 13.976 5.642 1.00 0.00 N ATOM 1336 CA GLY A 94 21.819 12.597 5.523 1.00 0.00 C ATOM 1337 C GLY A 94 20.903 12.179 6.652 1.00 0.00 C ATOM 1338 O GLY A 94 19.915 11.476 6.434 1.00 0.00 O ATOM 0 H GLY A 94 23.250 14.101 5.803 1.00 0.00 H new ATOM 0 HA2 GLY A 94 21.304 12.461 4.572 1.00 0.00 H new ATOM 0 HA3 GLY A 94 22.693 11.946 5.508 1.00 0.00 H new ATOM 1342 N ALA A 95 21.224 12.633 7.852 1.00 0.00 N ATOM 1343 CA ALA A 95 20.463 12.286 9.046 1.00 0.00 C ATOM 1344 C ALA A 95 19.022 12.777 8.964 1.00 0.00 C ATOM 1345 O ALA A 95 18.082 12.018 9.207 1.00 0.00 O ATOM 1346 CB ALA A 95 21.145 12.854 10.281 1.00 0.00 C ATOM 0 H ALA A 95 22.016 13.251 8.028 1.00 0.00 H new ATOM 0 HA ALA A 95 20.434 11.199 9.117 1.00 0.00 H new ATOM 0 HB1 ALA A 95 20.570 12.590 11.168 1.00 0.00 H new ATOM 0 HB2 ALA A 95 22.150 12.441 10.364 1.00 0.00 H new ATOM 0 HB3 ALA A 95 21.205 13.939 10.197 1.00 0.00 H new ATOM 1352 N CYS A 96 18.848 14.044 8.618 1.00 0.00 N ATOM 1353 CA CYS A 96 17.519 14.640 8.565 1.00 0.00 C ATOM 1354 C CYS A 96 16.725 14.120 7.368 1.00 0.00 C ATOM 1355 O CYS A 96 15.532 13.847 7.481 1.00 0.00 O ATOM 1356 CB CYS A 96 17.620 16.164 8.512 1.00 0.00 C ATOM 1357 SG CYS A 96 18.537 16.902 9.907 1.00 0.00 S ATOM 0 H CYS A 96 19.607 14.679 8.370 1.00 0.00 H new ATOM 0 HA CYS A 96 16.987 14.352 9.472 1.00 0.00 H new ATOM 0 HB2 CYS A 96 18.105 16.453 7.580 1.00 0.00 H new ATOM 0 HB3 CYS A 96 16.614 16.583 8.491 1.00 0.00 H new ATOM 1362 N LEU A 97 17.394 13.968 6.227 1.00 0.00 N ATOM 1363 CA LEU A 97 16.735 13.515 5.003 1.00 0.00 C ATOM 1364 C LEU A 97 16.207 12.092 5.181 1.00 0.00 C ATOM 1365 O LEU A 97 15.113 11.763 4.720 1.00 0.00 O ATOM 1366 CB LEU A 97 17.721 13.596 3.819 1.00 0.00 C ATOM 1367 CG LEU A 97 17.139 13.399 2.405 1.00 0.00 C ATOM 1368 CD1 LEU A 97 16.974 11.923 2.071 1.00 0.00 C ATOM 1369 CD2 LEU A 97 15.809 14.123 2.255 1.00 0.00 C ATOM 0 H LEU A 97 18.392 14.152 6.124 1.00 0.00 H new ATOM 0 HA LEU A 97 15.886 14.164 4.790 1.00 0.00 H new ATOM 0 HB2 LEU A 97 18.209 14.570 3.851 1.00 0.00 H new ATOM 0 HB3 LEU A 97 18.497 12.846 3.973 1.00 0.00 H new ATOM 0 HG LEU A 97 17.850 13.829 1.700 1.00 0.00 H new ATOM 0 HD11 LEU A 97 16.562 11.821 1.067 1.00 0.00 H new ATOM 0 HD12 LEU A 97 17.945 11.429 2.116 1.00 0.00 H new ATOM 0 HD13 LEU A 97 16.298 11.461 2.790 1.00 0.00 H new ATOM 0 HD21 LEU A 97 15.421 13.967 1.248 1.00 0.00 H new ATOM 0 HD22 LEU A 97 15.098 13.732 2.982 1.00 0.00 H new ATOM 0 HD23 LEU A 97 15.954 15.190 2.427 1.00 0.00 H new ATOM 1381 N ARG A 98 16.985 11.269 5.877 1.00 0.00 N ATOM 1382 CA ARG A 98 16.651 9.868 6.093 1.00 0.00 C ATOM 1383 C ARG A 98 15.271 9.707 6.729 1.00 0.00 C ATOM 1384 O ARG A 98 14.426 8.972 6.216 1.00 0.00 O ATOM 1385 CB ARG A 98 17.716 9.246 6.988 1.00 0.00 C ATOM 1386 CG ARG A 98 17.639 7.739 7.102 1.00 0.00 C ATOM 1387 CD ARG A 98 18.799 7.216 7.924 1.00 0.00 C ATOM 1388 NE ARG A 98 18.930 5.764 7.834 1.00 0.00 N ATOM 1389 CZ ARG A 98 20.059 5.107 8.088 1.00 0.00 C ATOM 1390 NH1 ARG A 98 21.130 5.762 8.520 1.00 0.00 N ATOM 1391 NH2 ARG A 98 20.112 3.791 7.919 1.00 0.00 N ATOM 0 H ARG A 98 17.865 11.556 6.307 1.00 0.00 H new ATOM 0 HA ARG A 98 16.623 9.362 5.128 1.00 0.00 H new ATOM 0 HB2 ARG A 98 18.699 9.519 6.605 1.00 0.00 H new ATOM 0 HB3 ARG A 98 17.632 9.678 7.985 1.00 0.00 H new ATOM 0 HG2 ARG A 98 16.696 7.450 7.566 1.00 0.00 H new ATOM 0 HG3 ARG A 98 17.656 7.291 6.109 1.00 0.00 H new ATOM 0 HD2 ARG A 98 19.723 7.684 7.584 1.00 0.00 H new ATOM 0 HD3 ARG A 98 18.661 7.503 8.967 1.00 0.00 H new ATOM 0 HE ARG A 98 18.110 5.223 7.561 1.00 0.00 H new ATOM 0 HH11 ARG A 98 21.089 6.772 8.658 1.00 0.00 H new ATOM 0 HH12 ARG A 98 21.994 5.255 8.714 1.00 0.00 H new ATOM 0 HH21 ARG A 98 19.288 3.285 7.595 1.00 0.00 H new ATOM 0 HH22 ARG A 98 20.977 3.286 8.113 1.00 0.00 H new ATOM 1405 N GLU A 99 15.038 10.402 7.837 1.00 0.00 N ATOM 1406 CA GLU A 99 13.777 10.277 8.555 1.00 0.00 C ATOM 1407 C GLU A 99 12.640 10.925 7.780 1.00 0.00 C ATOM 1408 O GLU A 99 11.518 10.419 7.761 1.00 0.00 O ATOM 1409 CB GLU A 99 13.857 10.911 9.944 1.00 0.00 C ATOM 1410 CG GLU A 99 13.941 12.428 9.944 1.00 0.00 C ATOM 1411 CD GLU A 99 13.239 13.034 11.143 1.00 0.00 C ATOM 1412 OE1 GLU A 99 11.996 12.905 11.229 1.00 0.00 O ATOM 1413 OE2 GLU A 99 13.919 13.637 11.998 1.00 0.00 O ATOM 0 H GLU A 99 15.702 11.054 8.255 1.00 0.00 H new ATOM 0 HA GLU A 99 13.581 9.210 8.663 1.00 0.00 H new ATOM 0 HB2 GLU A 99 12.981 10.609 10.518 1.00 0.00 H new ATOM 0 HB3 GLU A 99 14.730 10.512 10.461 1.00 0.00 H new ATOM 0 HG2 GLU A 99 14.987 12.733 9.944 1.00 0.00 H new ATOM 0 HG3 GLU A 99 13.495 12.816 9.028 1.00 0.00 H new ATOM 1420 N SER A 100 12.947 12.045 7.145 1.00 0.00 N ATOM 1421 CA SER A 100 11.948 12.830 6.439 1.00 0.00 C ATOM 1422 C SER A 100 11.226 11.994 5.386 1.00 0.00 C ATOM 1423 O SER A 100 10.033 12.185 5.143 1.00 0.00 O ATOM 1424 CB SER A 100 12.607 14.047 5.790 1.00 0.00 C ATOM 1425 OG SER A 100 13.203 14.880 6.769 1.00 0.00 O ATOM 0 H SER A 100 13.889 12.433 7.105 1.00 0.00 H new ATOM 0 HA SER A 100 11.205 13.166 7.163 1.00 0.00 H new ATOM 0 HB2 SER A 100 13.363 13.719 5.076 1.00 0.00 H new ATOM 0 HB3 SER A 100 11.863 14.613 5.229 1.00 0.00 H new ATOM 0 HG SER A 100 14.163 14.690 6.819 1.00 0.00 H new ATOM 1431 N MET A 101 11.953 11.062 4.783 1.00 0.00 N ATOM 1432 CA MET A 101 11.389 10.172 3.775 1.00 0.00 C ATOM 1433 C MET A 101 10.242 9.343 4.353 1.00 0.00 C ATOM 1434 O MET A 101 9.154 9.271 3.772 1.00 0.00 O ATOM 1435 CB MET A 101 12.477 9.247 3.223 1.00 0.00 C ATOM 1436 CG MET A 101 13.453 9.938 2.287 1.00 0.00 C ATOM 1437 SD MET A 101 12.717 10.340 0.689 1.00 0.00 S ATOM 1438 CE MET A 101 12.426 8.698 0.028 1.00 0.00 C ATOM 0 H MET A 101 12.942 10.902 4.976 1.00 0.00 H new ATOM 0 HA MET A 101 10.992 10.784 2.965 1.00 0.00 H new ATOM 0 HB2 MET A 101 13.031 8.816 4.057 1.00 0.00 H new ATOM 0 HB3 MET A 101 12.004 8.420 2.693 1.00 0.00 H new ATOM 0 HG2 MET A 101 13.815 10.853 2.756 1.00 0.00 H new ATOM 0 HG3 MET A 101 14.319 9.295 2.132 1.00 0.00 H new ATOM 0 HE1 MET A 101 12.439 8.737 -1.061 1.00 0.00 H new ATOM 0 HE2 MET A 101 13.207 8.022 0.377 1.00 0.00 H new ATOM 0 HE3 MET A 101 11.455 8.336 0.366 1.00 0.00 H new ATOM 1448 N MET A 102 10.475 8.741 5.515 1.00 0.00 N ATOM 1449 CA MET A 102 9.492 7.850 6.112 1.00 0.00 C ATOM 1450 C MET A 102 8.408 8.630 6.842 1.00 0.00 C ATOM 1451 O MET A 102 7.282 8.157 6.976 1.00 0.00 O ATOM 1452 CB MET A 102 10.159 6.846 7.056 1.00 0.00 C ATOM 1453 CG MET A 102 10.674 7.441 8.354 1.00 0.00 C ATOM 1454 SD MET A 102 11.497 6.216 9.387 1.00 0.00 S ATOM 1455 CE MET A 102 10.310 4.873 9.322 1.00 0.00 C ATOM 0 H MET A 102 11.331 8.854 6.058 1.00 0.00 H new ATOM 0 HA MET A 102 9.020 7.295 5.301 1.00 0.00 H new ATOM 0 HB2 MET A 102 9.443 6.059 7.292 1.00 0.00 H new ATOM 0 HB3 MET A 102 10.991 6.374 6.533 1.00 0.00 H new ATOM 0 HG2 MET A 102 11.369 8.250 8.130 1.00 0.00 H new ATOM 0 HG3 MET A 102 9.842 7.879 8.906 1.00 0.00 H new ATOM 0 HE1 MET A 102 10.488 4.190 10.152 1.00 0.00 H new ATOM 0 HE2 MET A 102 9.300 5.276 9.394 1.00 0.00 H new ATOM 0 HE3 MET A 102 10.420 4.336 8.380 1.00 0.00 H new ATOM 1465 N GLN A 103 8.742 9.831 7.302 1.00 0.00 N ATOM 1466 CA GLN A 103 7.757 10.692 7.950 1.00 0.00 C ATOM 1467 C GLN A 103 6.816 11.304 6.917 1.00 0.00 C ATOM 1468 O GLN A 103 5.807 11.922 7.265 1.00 0.00 O ATOM 1469 CB GLN A 103 8.433 11.799 8.763 1.00 0.00 C ATOM 1470 CG GLN A 103 8.544 11.481 10.247 1.00 0.00 C ATOM 1471 CD GLN A 103 9.400 10.265 10.535 1.00 0.00 C ATOM 1472 OE1 GLN A 103 8.915 9.136 10.536 1.00 0.00 O ATOM 1473 NE2 GLN A 103 10.672 10.486 10.816 1.00 0.00 N ATOM 0 H GLN A 103 9.679 10.229 7.240 1.00 0.00 H new ATOM 0 HA GLN A 103 7.178 10.072 8.634 1.00 0.00 H new ATOM 0 HB2 GLN A 103 9.431 11.976 8.362 1.00 0.00 H new ATOM 0 HB3 GLN A 103 7.871 12.725 8.639 1.00 0.00 H new ATOM 0 HG2 GLN A 103 8.963 12.343 10.766 1.00 0.00 H new ATOM 0 HG3 GLN A 103 7.545 11.319 10.653 1.00 0.00 H new ATOM 0 HE21 GLN A 103 11.039 11.438 10.805 1.00 0.00 H new ATOM 0 HE22 GLN A 103 11.287 9.705 11.044 1.00 0.00 H new ATOM 1482 N ALA A 104 7.165 11.146 5.649 1.00 0.00 N ATOM 1483 CA ALA A 104 6.316 11.594 4.562 1.00 0.00 C ATOM 1484 C ALA A 104 5.358 10.485 4.147 1.00 0.00 C ATOM 1485 O ALA A 104 4.141 10.644 4.251 1.00 0.00 O ATOM 1486 CB ALA A 104 7.157 12.048 3.382 1.00 0.00 C ATOM 0 H ALA A 104 8.036 10.708 5.349 1.00 0.00 H new ATOM 0 HA ALA A 104 5.728 12.444 4.908 1.00 0.00 H new ATOM 0 HB1 ALA A 104 6.503 12.381 2.576 1.00 0.00 H new ATOM 0 HB2 ALA A 104 7.801 12.871 3.690 1.00 0.00 H new ATOM 0 HB3 ALA A 104 7.771 11.218 3.032 1.00 0.00 H new ATOM 1492 N THR A 105 5.913 9.356 3.695 1.00 0.00 N ATOM 1493 CA THR A 105 5.094 8.224 3.267 1.00 0.00 C ATOM 1494 C THR A 105 5.940 7.105 2.656 1.00 0.00 C ATOM 1495 O THR A 105 5.582 5.929 2.745 1.00 0.00 O ATOM 1496 CB THR A 105 4.021 8.656 2.236 1.00 0.00 C ATOM 1497 OG1 THR A 105 3.178 7.548 1.902 1.00 0.00 O ATOM 1498 CG2 THR A 105 4.656 9.209 0.969 1.00 0.00 C ATOM 0 H THR A 105 6.919 9.205 3.617 1.00 0.00 H new ATOM 0 HA THR A 105 4.604 7.849 4.166 1.00 0.00 H new ATOM 0 HB THR A 105 3.425 9.445 2.695 1.00 0.00 H new ATOM 0 HG1 THR A 105 2.504 7.835 1.251 1.00 0.00 H new ATOM 0 HG21 THR A 105 3.874 9.502 0.268 1.00 0.00 H new ATOM 0 HG22 THR A 105 5.265 10.078 1.217 1.00 0.00 H new ATOM 0 HG23 THR A 105 5.284 8.444 0.513 1.00 0.00 H new ATOM 1506 N GLY A 106 7.073 7.460 2.060 1.00 0.00 N ATOM 1507 CA GLY A 106 7.814 6.502 1.257 1.00 0.00 C ATOM 1508 C GLY A 106 8.861 5.729 2.031 1.00 0.00 C ATOM 1509 O GLY A 106 9.843 5.277 1.440 1.00 0.00 O ATOM 0 H GLY A 106 7.491 8.389 2.117 1.00 0.00 H new ATOM 0 HA2 GLY A 106 7.112 5.797 0.811 1.00 0.00 H new ATOM 0 HA3 GLY A 106 8.300 7.030 0.436 1.00 0.00 H new ATOM 1513 N SER A 107 8.643 5.557 3.339 1.00 0.00 N ATOM 1514 CA SER A 107 9.577 4.838 4.218 1.00 0.00 C ATOM 1515 C SER A 107 11.017 5.324 4.019 1.00 0.00 C ATOM 1516 O SER A 107 11.244 6.447 3.570 1.00 0.00 O ATOM 1517 CB SER A 107 9.469 3.320 3.988 1.00 0.00 C ATOM 1518 OG SER A 107 9.786 2.963 2.654 1.00 0.00 O ATOM 0 H SER A 107 7.816 5.911 3.820 1.00 0.00 H new ATOM 0 HA SER A 107 9.301 5.050 5.251 1.00 0.00 H new ATOM 0 HB2 SER A 107 10.140 2.801 4.672 1.00 0.00 H new ATOM 0 HB3 SER A 107 8.457 2.989 4.222 1.00 0.00 H new ATOM 0 HG SER A 107 10.171 3.736 2.191 1.00 0.00 H new ATOM 1524 N VAL A 108 11.988 4.504 4.389 1.00 0.00 N ATOM 1525 CA VAL A 108 13.378 4.835 4.144 1.00 0.00 C ATOM 1526 C VAL A 108 13.956 3.890 3.100 1.00 0.00 C ATOM 1527 O VAL A 108 14.228 2.720 3.379 1.00 0.00 O ATOM 1528 CB VAL A 108 14.236 4.769 5.425 1.00 0.00 C ATOM 1529 CG1 VAL A 108 15.649 5.262 5.143 1.00 0.00 C ATOM 1530 CG2 VAL A 108 13.599 5.583 6.540 1.00 0.00 C ATOM 0 H VAL A 108 11.838 3.610 4.857 1.00 0.00 H new ATOM 0 HA VAL A 108 13.405 5.863 3.783 1.00 0.00 H new ATOM 0 HB VAL A 108 14.290 3.730 5.750 1.00 0.00 H new ATOM 0 HG11 VAL A 108 16.242 5.209 6.056 1.00 0.00 H new ATOM 0 HG12 VAL A 108 16.107 4.636 4.377 1.00 0.00 H new ATOM 0 HG13 VAL A 108 15.611 6.294 4.794 1.00 0.00 H new ATOM 0 HG21 VAL A 108 14.219 5.523 7.434 1.00 0.00 H new ATOM 0 HG22 VAL A 108 13.513 6.624 6.227 1.00 0.00 H new ATOM 0 HG23 VAL A 108 12.608 5.187 6.759 1.00 0.00 H new ATOM 1540 N ASP A 109 14.110 4.402 1.893 1.00 0.00 N ATOM 1541 CA ASP A 109 14.661 3.629 0.789 1.00 0.00 C ATOM 1542 C ASP A 109 16.185 3.669 0.831 1.00 0.00 C ATOM 1543 O ASP A 109 16.778 4.220 1.763 1.00 0.00 O ATOM 1544 CB ASP A 109 14.149 4.172 -0.548 1.00 0.00 C ATOM 1545 CG ASP A 109 14.992 5.311 -1.080 1.00 0.00 C ATOM 1546 OD1 ASP A 109 14.993 6.398 -0.475 1.00 0.00 O ATOM 1547 OD2 ASP A 109 15.677 5.100 -2.097 1.00 0.00 O ATOM 0 H ASP A 109 13.859 5.360 1.648 1.00 0.00 H new ATOM 0 HA ASP A 109 14.336 2.593 0.888 1.00 0.00 H new ATOM 0 HB2 ASP A 109 14.133 3.365 -1.280 1.00 0.00 H new ATOM 0 HB3 ASP A 109 13.121 4.513 -0.427 1.00 0.00 H new ATOM 1552 N ASN A 110 16.813 3.087 -0.173 1.00 0.00 N ATOM 1553 CA ASN A 110 18.262 2.960 -0.195 1.00 0.00 C ATOM 1554 C ASN A 110 18.821 3.274 -1.580 1.00 0.00 C ATOM 1555 O ASN A 110 19.933 2.871 -1.917 1.00 0.00 O ATOM 1556 CB ASN A 110 18.662 1.545 0.233 1.00 0.00 C ATOM 1557 CG ASN A 110 17.868 0.475 -0.490 1.00 0.00 C ATOM 1558 OD1 ASN A 110 16.835 0.012 -0.005 1.00 0.00 O ATOM 1559 ND2 ASN A 110 18.328 0.088 -1.663 1.00 0.00 N ATOM 0 H ASN A 110 16.343 2.693 -0.988 1.00 0.00 H new ATOM 0 HA ASN A 110 18.683 3.681 0.505 1.00 0.00 H new ATOM 0 HB2 ASN A 110 19.725 1.397 0.040 1.00 0.00 H new ATOM 0 HB3 ASN A 110 18.515 1.438 1.308 1.00 0.00 H new ATOM 0 HD21 ASN A 110 17.824 -0.617 -2.201 1.00 0.00 H new ATOM 0 HD22 ASN A 110 19.187 0.494 -2.033 1.00 0.00 H new ATOM 1566 N ALA A 111 18.050 4.000 -2.374 1.00 0.00 N ATOM 1567 CA ALA A 111 18.476 4.393 -3.710 1.00 0.00 C ATOM 1568 C ALA A 111 18.468 5.909 -3.841 1.00 0.00 C ATOM 1569 O ALA A 111 19.456 6.512 -4.260 1.00 0.00 O ATOM 1570 CB ALA A 111 17.572 3.766 -4.758 1.00 0.00 C ATOM 0 H ALA A 111 17.121 4.331 -2.115 1.00 0.00 H new ATOM 0 HA ALA A 111 19.493 4.036 -3.871 1.00 0.00 H new ATOM 0 HB1 ALA A 111 17.902 4.069 -5.752 1.00 0.00 H new ATOM 0 HB2 ALA A 111 17.618 2.680 -4.675 1.00 0.00 H new ATOM 0 HB3 ALA A 111 16.546 4.099 -4.600 1.00 0.00 H new ATOM 1576 N PHE A 112 17.351 6.513 -3.460 1.00 0.00 N ATOM 1577 CA PHE A 112 17.205 7.961 -3.478 1.00 0.00 C ATOM 1578 C PHE A 112 18.105 8.577 -2.421 1.00 0.00 C ATOM 1579 O PHE A 112 18.892 9.478 -2.712 1.00 0.00 O ATOM 1580 CB PHE A 112 15.743 8.347 -3.230 1.00 0.00 C ATOM 1581 CG PHE A 112 15.515 9.825 -3.087 1.00 0.00 C ATOM 1582 CD1 PHE A 112 15.511 10.650 -4.197 1.00 0.00 C ATOM 1583 CD2 PHE A 112 15.304 10.388 -1.838 1.00 0.00 C ATOM 1584 CE1 PHE A 112 15.298 12.008 -4.068 1.00 0.00 C ATOM 1585 CE2 PHE A 112 15.090 11.744 -1.701 1.00 0.00 C ATOM 1586 CZ PHE A 112 15.089 12.555 -2.817 1.00 0.00 C ATOM 0 H PHE A 112 16.524 6.015 -3.131 1.00 0.00 H new ATOM 0 HA PHE A 112 17.499 8.340 -4.457 1.00 0.00 H new ATOM 0 HB2 PHE A 112 15.135 7.975 -4.055 1.00 0.00 H new ATOM 0 HB3 PHE A 112 15.395 7.847 -2.326 1.00 0.00 H new ATOM 0 HD1 PHE A 112 15.677 10.227 -5.177 1.00 0.00 H new ATOM 0 HD2 PHE A 112 15.307 9.757 -0.961 1.00 0.00 H new ATOM 0 HE1 PHE A 112 15.295 12.641 -4.943 1.00 0.00 H new ATOM 0 HE2 PHE A 112 14.924 12.170 -0.722 1.00 0.00 H new ATOM 0 HZ PHE A 112 14.925 13.617 -2.713 1.00 0.00 H new ATOM 1596 N THR A 113 17.992 8.068 -1.198 1.00 0.00 N ATOM 1597 CA THR A 113 18.858 8.486 -0.106 1.00 0.00 C ATOM 1598 C THR A 113 20.325 8.311 -0.494 1.00 0.00 C ATOM 1599 O THR A 113 21.164 9.171 -0.226 1.00 0.00 O ATOM 1600 CB THR A 113 18.561 7.661 1.164 1.00 0.00 C ATOM 1601 OG1 THR A 113 18.480 6.266 0.829 1.00 0.00 O ATOM 1602 CG2 THR A 113 17.262 8.109 1.819 1.00 0.00 C ATOM 0 H THR A 113 17.304 7.361 -0.940 1.00 0.00 H new ATOM 0 HA THR A 113 18.664 9.539 0.098 1.00 0.00 H new ATOM 0 HB THR A 113 19.373 7.822 1.873 1.00 0.00 H new ATOM 0 HG1 THR A 113 17.776 5.842 1.363 1.00 0.00 H new ATOM 0 HG21 THR A 113 17.079 7.510 2.711 1.00 0.00 H new ATOM 0 HG22 THR A 113 17.338 9.160 2.097 1.00 0.00 H new ATOM 0 HG23 THR A 113 16.437 7.978 1.118 1.00 0.00 H new ATOM 1610 N ASN A 114 20.607 7.197 -1.157 1.00 0.00 N ATOM 1611 CA ASN A 114 21.956 6.861 -1.600 1.00 0.00 C ATOM 1612 C ASN A 114 22.463 7.860 -2.637 1.00 0.00 C ATOM 1613 O ASN A 114 23.578 8.369 -2.514 1.00 0.00 O ATOM 1614 CB ASN A 114 21.962 5.447 -2.186 1.00 0.00 C ATOM 1615 CG ASN A 114 23.334 5.001 -2.657 1.00 0.00 C ATOM 1616 OD1 ASN A 114 24.355 5.366 -2.075 1.00 0.00 O ATOM 1617 ND2 ASN A 114 23.365 4.210 -3.717 1.00 0.00 N ATOM 0 H ASN A 114 19.906 6.499 -1.404 1.00 0.00 H new ATOM 0 HA ASN A 114 22.624 6.905 -0.740 1.00 0.00 H new ATOM 0 HB2 ASN A 114 21.598 4.747 -1.434 1.00 0.00 H new ATOM 0 HB3 ASN A 114 21.266 5.405 -3.024 1.00 0.00 H new ATOM 0 HD21 ASN A 114 24.259 3.880 -4.081 1.00 0.00 H new ATOM 0 HD22 ASN A 114 22.495 3.931 -4.170 1.00 0.00 H new ATOM 1624 N GLU A 115 21.647 8.142 -3.653 1.00 0.00 N ATOM 1625 CA GLU A 115 22.009 9.084 -4.677 1.00 0.00 C ATOM 1626 C GLU A 115 22.279 10.449 -4.060 1.00 0.00 C ATOM 1627 O GLU A 115 23.300 11.075 -4.339 1.00 0.00 O ATOM 1628 CB GLU A 115 20.891 9.182 -5.710 1.00 0.00 C ATOM 1629 CG GLU A 115 21.353 9.867 -6.962 1.00 0.00 C ATOM 1630 CD GLU A 115 20.247 10.162 -7.952 1.00 0.00 C ATOM 1631 OE1 GLU A 115 19.741 9.213 -8.585 1.00 0.00 O ATOM 1632 OE2 GLU A 115 19.889 11.349 -8.118 1.00 0.00 O ATOM 0 H GLU A 115 20.727 7.720 -3.777 1.00 0.00 H new ATOM 0 HA GLU A 115 22.917 8.740 -5.172 1.00 0.00 H new ATOM 0 HB2 GLU A 115 20.531 8.182 -5.953 1.00 0.00 H new ATOM 0 HB3 GLU A 115 20.049 9.729 -5.285 1.00 0.00 H new ATOM 0 HG2 GLU A 115 21.842 10.803 -6.691 1.00 0.00 H new ATOM 0 HG3 GLU A 115 22.104 9.244 -7.448 1.00 0.00 H new ATOM 1639 N VAL A 116 21.369 10.891 -3.199 1.00 0.00 N ATOM 1640 CA VAL A 116 21.529 12.155 -2.489 1.00 0.00 C ATOM 1641 C VAL A 116 22.854 12.183 -1.722 1.00 0.00 C ATOM 1642 O VAL A 116 23.609 13.149 -1.801 1.00 0.00 O ATOM 1643 CB VAL A 116 20.352 12.402 -1.514 1.00 0.00 C ATOM 1644 CG1 VAL A 116 20.595 13.631 -0.651 1.00 0.00 C ATOM 1645 CG2 VAL A 116 19.047 12.552 -2.283 1.00 0.00 C ATOM 0 H VAL A 116 20.509 10.390 -2.975 1.00 0.00 H new ATOM 0 HA VAL A 116 21.534 12.951 -3.233 1.00 0.00 H new ATOM 0 HB VAL A 116 20.279 11.536 -0.856 1.00 0.00 H new ATOM 0 HG11 VAL A 116 19.750 13.776 0.022 1.00 0.00 H new ATOM 0 HG12 VAL A 116 21.504 13.491 -0.067 1.00 0.00 H new ATOM 0 HG13 VAL A 116 20.705 14.508 -1.289 1.00 0.00 H new ATOM 0 HG21 VAL A 116 18.230 12.725 -1.583 1.00 0.00 H new ATOM 0 HG22 VAL A 116 19.123 13.397 -2.968 1.00 0.00 H new ATOM 0 HG23 VAL A 116 18.852 11.642 -2.850 1.00 0.00 H new ATOM 1655 N MET A 117 23.149 11.098 -1.024 1.00 0.00 N ATOM 1656 CA MET A 117 24.358 11.001 -0.208 1.00 0.00 C ATOM 1657 C MET A 117 25.622 10.908 -1.053 1.00 0.00 C ATOM 1658 O MET A 117 26.730 10.990 -0.527 1.00 0.00 O ATOM 1659 CB MET A 117 24.258 9.798 0.733 1.00 0.00 C ATOM 1660 CG MET A 117 23.384 10.031 1.963 1.00 0.00 C ATOM 1661 SD MET A 117 24.156 11.073 3.231 1.00 0.00 S ATOM 1662 CE MET A 117 23.953 12.725 2.560 1.00 0.00 C ATOM 0 H MET A 117 22.564 10.263 -1.004 1.00 0.00 H new ATOM 0 HA MET A 117 24.432 11.918 0.377 1.00 0.00 H new ATOM 0 HB2 MET A 117 23.862 8.949 0.176 1.00 0.00 H new ATOM 0 HB3 MET A 117 25.261 9.524 1.061 1.00 0.00 H new ATOM 0 HG2 MET A 117 22.448 10.493 1.649 1.00 0.00 H new ATOM 0 HG3 MET A 117 23.131 9.067 2.404 1.00 0.00 H new ATOM 0 HE1 MET A 117 23.677 13.411 3.360 1.00 0.00 H new ATOM 0 HE2 MET A 117 24.890 13.052 2.109 1.00 0.00 H new ATOM 0 HE3 MET A 117 23.169 12.716 1.803 1.00 0.00 H new ATOM 1672 N GLN A 118 25.466 10.732 -2.352 1.00 0.00 N ATOM 1673 CA GLN A 118 26.605 10.788 -3.252 1.00 0.00 C ATOM 1674 C GLN A 118 26.679 12.169 -3.891 1.00 0.00 C ATOM 1675 O GLN A 118 27.693 12.859 -3.805 1.00 0.00 O ATOM 1676 CB GLN A 118 26.495 9.721 -4.345 1.00 0.00 C ATOM 1677 CG GLN A 118 27.703 9.684 -5.269 1.00 0.00 C ATOM 1678 CD GLN A 118 27.466 8.848 -6.511 1.00 0.00 C ATOM 1679 OE1 GLN A 118 27.022 9.361 -7.538 1.00 0.00 O ATOM 1680 NE2 GLN A 118 27.760 7.561 -6.429 1.00 0.00 N ATOM 0 H GLN A 118 24.571 10.551 -2.805 1.00 0.00 H new ATOM 0 HA GLN A 118 27.510 10.596 -2.676 1.00 0.00 H new ATOM 0 HB2 GLN A 118 26.372 8.743 -3.879 1.00 0.00 H new ATOM 0 HB3 GLN A 118 25.599 9.907 -4.937 1.00 0.00 H new ATOM 0 HG2 GLN A 118 27.960 10.701 -5.565 1.00 0.00 H new ATOM 0 HG3 GLN A 118 28.559 9.284 -4.725 1.00 0.00 H new ATOM 0 HE21 GLN A 118 28.126 7.176 -5.558 1.00 0.00 H new ATOM 0 HE22 GLN A 118 27.621 6.954 -7.236 1.00 0.00 H new ATOM 1689 N LEU A 119 25.577 12.565 -4.508 1.00 0.00 N ATOM 1690 CA LEU A 119 25.488 13.807 -5.254 1.00 0.00 C ATOM 1691 C LEU A 119 25.716 15.038 -4.388 1.00 0.00 C ATOM 1692 O LEU A 119 26.416 15.954 -4.805 1.00 0.00 O ATOM 1693 CB LEU A 119 24.129 13.898 -5.935 1.00 0.00 C ATOM 1694 CG LEU A 119 24.015 13.168 -7.275 1.00 0.00 C ATOM 1695 CD1 LEU A 119 24.391 11.700 -7.162 1.00 0.00 C ATOM 1696 CD2 LEU A 119 22.611 13.309 -7.819 1.00 0.00 C ATOM 0 H LEU A 119 24.711 12.026 -4.504 1.00 0.00 H new ATOM 0 HA LEU A 119 26.285 13.792 -5.997 1.00 0.00 H new ATOM 0 HB2 LEU A 119 23.375 13.498 -5.257 1.00 0.00 H new ATOM 0 HB3 LEU A 119 23.890 14.950 -6.092 1.00 0.00 H new ATOM 0 HG LEU A 119 24.723 13.630 -7.964 1.00 0.00 H new ATOM 0 HD11 LEU A 119 24.295 11.224 -8.138 1.00 0.00 H new ATOM 0 HD12 LEU A 119 25.421 11.614 -6.816 1.00 0.00 H new ATOM 0 HD13 LEU A 119 23.727 11.208 -6.451 1.00 0.00 H new ATOM 0 HD21 LEU A 119 22.536 12.787 -8.773 1.00 0.00 H new ATOM 0 HD22 LEU A 119 21.902 12.877 -7.113 1.00 0.00 H new ATOM 0 HD23 LEU A 119 22.381 14.365 -7.964 1.00 0.00 H new ATOM 1708 N VAL A 120 25.148 15.068 -3.187 1.00 0.00 N ATOM 1709 CA VAL A 120 25.282 16.244 -2.329 1.00 0.00 C ATOM 1710 C VAL A 120 26.747 16.481 -1.973 1.00 0.00 C ATOM 1711 O VAL A 120 27.174 17.613 -1.744 1.00 0.00 O ATOM 1712 CB VAL A 120 24.429 16.118 -1.044 1.00 0.00 C ATOM 1713 CG1 VAL A 120 24.721 17.248 -0.068 1.00 0.00 C ATOM 1714 CG2 VAL A 120 22.951 16.113 -1.396 1.00 0.00 C ATOM 0 H VAL A 120 24.599 14.306 -2.789 1.00 0.00 H new ATOM 0 HA VAL A 120 24.910 17.102 -2.889 1.00 0.00 H new ATOM 0 HB VAL A 120 24.692 15.177 -0.562 1.00 0.00 H new ATOM 0 HG11 VAL A 120 24.104 17.128 0.823 1.00 0.00 H new ATOM 0 HG12 VAL A 120 25.774 17.223 0.213 1.00 0.00 H new ATOM 0 HG13 VAL A 120 24.494 18.204 -0.540 1.00 0.00 H new ATOM 0 HG21 VAL A 120 22.360 16.024 -0.484 1.00 0.00 H new ATOM 0 HG22 VAL A 120 22.695 17.042 -1.905 1.00 0.00 H new ATOM 0 HG23 VAL A 120 22.736 15.269 -2.052 1.00 0.00 H new ATOM 1724 N LYS A 121 27.521 15.406 -1.975 1.00 0.00 N ATOM 1725 CA LYS A 121 28.942 15.490 -1.688 1.00 0.00 C ATOM 1726 C LYS A 121 29.725 15.757 -2.970 1.00 0.00 C ATOM 1727 O LYS A 121 30.533 16.679 -3.037 1.00 0.00 O ATOM 1728 CB LYS A 121 29.427 14.189 -1.044 1.00 0.00 C ATOM 1729 CG LYS A 121 28.574 13.741 0.133 1.00 0.00 C ATOM 1730 CD LYS A 121 29.142 12.503 0.805 1.00 0.00 C ATOM 1731 CE LYS A 121 30.399 12.833 1.599 1.00 0.00 C ATOM 1732 NZ LYS A 121 31.054 11.618 2.152 1.00 0.00 N ATOM 0 H LYS A 121 27.186 14.463 -2.173 1.00 0.00 H new ATOM 0 HA LYS A 121 29.109 16.314 -0.994 1.00 0.00 H new ATOM 0 HB2 LYS A 121 29.436 13.401 -1.797 1.00 0.00 H new ATOM 0 HB3 LYS A 121 30.456 14.320 -0.708 1.00 0.00 H new ATOM 0 HG2 LYS A 121 28.505 14.550 0.860 1.00 0.00 H new ATOM 0 HG3 LYS A 121 27.560 13.535 -0.211 1.00 0.00 H new ATOM 0 HD2 LYS A 121 28.393 12.071 1.468 1.00 0.00 H new ATOM 0 HD3 LYS A 121 29.372 11.750 0.051 1.00 0.00 H new ATOM 0 HE2 LYS A 121 31.103 13.362 0.957 1.00 0.00 H new ATOM 0 HE3 LYS A 121 30.143 13.508 2.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 31.904 11.894 2.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 30.393 11.126 2.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 31.323 10.984 1.373 1.00 0.00 H new ATOM 1746 N MET A 122 29.447 14.957 -3.991 1.00 0.00 N ATOM 1747 CA MET A 122 30.192 14.995 -5.248 1.00 0.00 C ATOM 1748 C MET A 122 29.923 16.274 -6.044 1.00 0.00 C ATOM 1749 O MET A 122 30.830 16.818 -6.672 1.00 0.00 O ATOM 1750 CB MET A 122 29.862 13.745 -6.080 1.00 0.00 C ATOM 1751 CG MET A 122 30.448 13.740 -7.486 1.00 0.00 C ATOM 1752 SD MET A 122 29.340 14.465 -8.713 1.00 0.00 S ATOM 1753 CE MET A 122 28.005 13.270 -8.726 1.00 0.00 C ATOM 0 H MET A 122 28.700 14.263 -3.974 1.00 0.00 H new ATOM 0 HA MET A 122 31.256 14.999 -5.010 1.00 0.00 H new ATOM 0 HB2 MET A 122 30.224 12.865 -5.548 1.00 0.00 H new ATOM 0 HB3 MET A 122 28.779 13.650 -6.153 1.00 0.00 H new ATOM 0 HG2 MET A 122 31.389 14.290 -7.484 1.00 0.00 H new ATOM 0 HG3 MET A 122 30.679 12.714 -7.774 1.00 0.00 H new ATOM 0 HE1 MET A 122 27.689 13.089 -9.753 1.00 0.00 H new ATOM 0 HE2 MET A 122 28.349 12.336 -8.282 1.00 0.00 H new ATOM 0 HE3 MET A 122 27.164 13.657 -8.150 1.00 0.00 H new ATOM 1763 N LEU A 123 28.692 16.764 -6.004 1.00 0.00 N ATOM 1764 CA LEU A 123 28.330 17.972 -6.745 1.00 0.00 C ATOM 1765 C LEU A 123 28.731 19.220 -5.969 1.00 0.00 C ATOM 1766 O LEU A 123 28.542 20.345 -6.438 1.00 0.00 O ATOM 1767 CB LEU A 123 26.826 18.001 -7.039 1.00 0.00 C ATOM 1768 CG LEU A 123 26.321 16.923 -8.003 1.00 0.00 C ATOM 1769 CD1 LEU A 123 24.804 16.947 -8.070 1.00 0.00 C ATOM 1770 CD2 LEU A 123 26.907 17.126 -9.390 1.00 0.00 C ATOM 0 H LEU A 123 27.928 16.349 -5.470 1.00 0.00 H new ATOM 0 HA LEU A 123 28.870 17.958 -7.692 1.00 0.00 H new ATOM 0 HB2 LEU A 123 26.287 17.902 -6.097 1.00 0.00 H new ATOM 0 HB3 LEU A 123 26.573 18.978 -7.450 1.00 0.00 H new ATOM 0 HG LEU A 123 26.644 15.951 -7.630 1.00 0.00 H new ATOM 0 HD11 LEU A 123 24.458 16.176 -8.759 1.00 0.00 H new ATOM 0 HD12 LEU A 123 24.393 16.759 -7.078 1.00 0.00 H new ATOM 0 HD13 LEU A 123 24.471 17.923 -8.421 1.00 0.00 H new ATOM 0 HD21 LEU A 123 26.536 16.350 -10.059 1.00 0.00 H new ATOM 0 HD22 LEU A 123 26.612 18.104 -9.770 1.00 0.00 H new ATOM 0 HD23 LEU A 123 27.994 17.070 -9.337 1.00 0.00 H new ATOM 1782 N SER A 124 29.290 19.020 -4.788 1.00 0.00 N ATOM 1783 CA SER A 124 29.708 20.114 -3.951 1.00 0.00 C ATOM 1784 C SER A 124 31.222 20.110 -3.848 1.00 0.00 C ATOM 1785 O SER A 124 31.902 20.945 -4.450 1.00 0.00 O ATOM 1786 CB SER A 124 29.084 19.967 -2.567 1.00 0.00 C ATOM 1787 OG SER A 124 29.203 21.157 -1.830 1.00 0.00 O ATOM 0 H SER A 124 29.463 18.097 -4.390 1.00 0.00 H new ATOM 0 HA SER A 124 29.380 21.059 -4.384 1.00 0.00 H new ATOM 0 HB2 SER A 124 28.032 19.700 -2.666 1.00 0.00 H new ATOM 0 HB3 SER A 124 29.570 19.153 -2.030 1.00 0.00 H new ATOM 0 HG SER A 124 28.390 21.693 -1.940 1.00 0.00 H new ATOM 1793 N ALA A 125 31.728 19.118 -3.126 1.00 0.00 N ATOM 1794 CA ALA A 125 33.147 18.965 -2.864 1.00 0.00 C ATOM 1795 C ALA A 125 33.366 17.826 -1.887 1.00 0.00 C ATOM 1796 O ALA A 125 32.958 17.907 -0.726 1.00 0.00 O ATOM 1797 CB ALA A 125 33.740 20.241 -2.295 1.00 0.00 C ATOM 0 H ALA A 125 31.154 18.389 -2.702 1.00 0.00 H new ATOM 0 HA ALA A 125 33.646 18.745 -3.808 1.00 0.00 H new ATOM 0 HB1 ALA A 125 34.804 20.096 -2.109 1.00 0.00 H new ATOM 0 HB2 ALA A 125 33.604 21.055 -3.007 1.00 0.00 H new ATOM 0 HB3 ALA A 125 33.239 20.490 -1.360 1.00 0.00 H new